A0A077ZJP9_TRITR Loading...

HEGF domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJP9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 592 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.8	Very low	25.7	Very low	219 Å²	219	150.4 Å²	150.4	100%	1.079	77%	0.772	S	S	*	*				0	108.9	0	-174.8	-169.8	-68.6	0	0	105.1
2	F	25.1	Very low	26	Very low	178 Å²	178	146.3 Å²	146.3	78%	0.781	76%	0.763	S	S	*	*			trans	63.8	139.7	-163.2	-52.5	-80.3	0	0	0	112.6
3	V	25.5	Very low	26	Very low	110 Å²	110	144.6 Å²	144.6	67%	0.667	76%	0.763	S	S	*	*			cis	75.6	121	19.7	-160.3	0	0	0	0	111.1
4	Q	24.2	Very low	26	Very low	160 Å²	160	141.6 Å²	141.6	75%	0.748	76%	0.76	S	S	*	*				-159.2	170.7	57.4	-111.8	111.8	-48.8	0	0	110.6
5	I	25.8	Very low	25.9	Very low	122 Å²	122	140.3 Å²	140.3	63%	0.626	76%	0.764	S	S	*	*			cis	-174.3	135.6	-33.6	-118.2	-167.5	0	0	0	112.7
6	W	25.6	Very low	26	Very low	210 Å²	210	139.1 Å²	139.1	80%	0.795	77%	0.765	S	S	*	*			trans	61.3	173.8	159.1	-65.7	74.2	0	0	0	120.8
7	L	26.1	Very low	26.1	Very low	129 Å²	129	140.8 Å²	140.8	68%	0.675	77%	0.766	S	S	*	*			cis	-157.8	129	15.3	-139	175.7	0	0	0	113.2
8	L	25.3	Very low	26.1	Very low	142 Å²	142	141.7 Å²	141.7	74%	0.743	77%	0.77	S	S	*	*			trans	42.5	163.3	155.9	-75.2	173.1	0	0	0	122.3
9	E	25.9	Very low	26.2	Very low	181 Å²	181	138.2 Å²	138.2	85%	0.846	77%	0.77	S	S	*	*			cis	-135.6	162	25.5	-65.4	-179.1	137.3	0	0	116
10	A	25.7	Very low	26.2	Very low	91 Å²	91	141.4 Å²	141.4	75%	0.752	78%	0.779	S	S	*	*			trans	25.3	146	151.6	0	0	0	0	0	123.3
11	S	25.3	Very low	26.3	Very low	112 Å²	112	142 Å²	142	78%	0.783	78%	0.781	S	S	*	*			cis	-167.1	-162.8	-9.6	60.9	0	0	0	0	110
12	P	29	Very low	26.2	Very low	102 Å²	102	141.8 Å²	141.8	66%	0.662	77%	0.768	S	S	*	*				-134.2	178.7	-109.6	42.2	-22.1	0	0	0	118.4
13	T	26.2	Very low	26.2	Very low	124 Å²	124	141.6 Å²	141.6	76%	0.761	77%	0.769	S	S	*	*			trans	59.7	125.1	158.7	51.1	0	0	0	0	119.4
14	S	25.2	Very low	26.2	Very low	103 Å²	103	143.8 Å²	143.8	72%	0.72	78%	0.775	S	S	*	*			cis	92.1	113.5	30.3	79.6	0	0	0	0	116.5
15	C	25.5	Very low	26.4	Very low	122 Å²	122	141 Å²	141	82%	0.824	76%	0.763	S	S	*	*			trans	-166.3	165.4	159.2	-105.1	0	0	0	0	111.1
16	P	26.8	Very low	26.7	Very low	120 Å²	120	142.3 Å²	142.3	78%	0.779	76%	0.76	S	S	*	*				-124.6	-179.7	-121.1	41.3	-29.9	0	0	0	117.7
17	H	27.3	Very low	27	Very low	168 Å²	168	138.4 Å²	138.4	78%	0.778	75%	0.749	S	S	*	*			trans	-57.5	162.4	156	-72.2	-109.2	0	0	0	110.3
18	D	27.2	Very low	27.5	Very low	158 Å²	158	133.8 Å²	133.8	85%	0.845	73%	0.733	S	S	*	*				-156	175.3	51.2	-71.4	-56.2	0	0	0	112.4
19	G	27	Very low	27.8	Very low	75 Å²	75	135.9 Å²	135.9	77%	0.773	73%	0.731	S	S	*	*			trans	118	110.4	148.9	0	0	0	0	0	117.1	N21	G19-N21 PolarHBondContact O-N 2.77Å
20	H	26.1	Very low	28.3	Very low	202 Å²	202	133.2 Å²	133.2	94%	0.935	72%	0.716	S	S	*	*			trans	-60.8	121	175.2	-71.6	-105.4	0	0	0	113.9
21	N	28.4	Very low	28.8	Very low	155 Å²	155	136.1 Å²	136.1	83%	0.829	72%	0.719	S	S	*	*				-154.1	151.6	128.6	-147.3	-23.3	0	0	0	112	G19 Q23	G19-N21 PolarHBondContact O-N 2.77Å; N21-Q23 PolarHBondContact O-N 2.65Å
22	R	27.3	Very low	29.7	Very low	214 Å²	214	138 Å²	138	81%	0.808	72%	0.72	S	S	*	*			trans	-96	75.4	-174.4	-79.2	-177.5	166.9	174.3	-5.5	112.5
23	Q	25.5	Very low	29.8	Very low	173 Å²	173	140.6 Å²	140.6	81%	0.808	72%	0.721	S	S	*	*			trans	-164.6	153.8	160.8	-108.9	158.6	50.2	0	0	110.7	N21	N21-Q23 PolarHBondContact O-N 2.65Å
24	M	25.9	Very low	30.2	Very low	157 Å²	157	139.7 Å²	139.7	77%	0.773	71%	0.707	S	S	*	*			trans	79.1	123.1	174.2	-48.8	-168.9	-172	0	0	119
25	M	27.6	Very low	30.4	Very low	102 Å²	102	136.4 Å²	136.4	50%	0.502	68%	0.681	S	S	.	*			trans	43.4	111.5	130.8	-48.1	176.9	-159.1	0	0	119.4	F27 T38	M25-F27 HydrophobicContact CB-CE2 4.49Å; M25-T38 HydrophobicContact CB-CG2 4.28Å; M25-T38 HydrophobicContact CG-CG2 3.79Å; M25-T38 HydrophobicContact SD-CG2 3.97Å
26	R	32.7	Very low	30.6	Very low	148 Å²	148	131.1 Å²	131.1	56%	0.558	65%	0.645	S	S	*	*			trans	-100	148.4	158.2	-70.3	-178.6	175.5	162.7	0.1	110.3	D152 D154	R26-D152 IonicContact CZ-OD1 3.78Å; R26-D152 IonicContact NH1-OD1 2.64Å; R26-D152 PolarHBondContact NH1-OD1 3.02Å; R26-D152 IonicContact NH1-OD2 2.65Å; R26-D152 IonicContact NH2-OD1 3.18Å; R26-D152 PolarHBondContact NH2-OD1 2.69Å; R26-D154 IonicContact CZ-OD2 2.77Å; R26-D154 IonicContact NH1-OD1 3.33Å; R26-D154 IonicContact NH1-OD2 3.52Å; R26-D154 PolarHBondContact NH1-OD2 2.82Å
27	F	30.9	Very low	30.8	Very low	128 Å²	128	129.2 Å²	129.2	56%	0.561	62%	0.623	S	S	*	*			trans	-115.7	159.8	-179	-66.2	-88.2	0	0	0	111.7	M25 C36 Y37 T38	M25-F27 HydrophobicContact CB-CE2 4.49Å; F27-C36 HydrophobicContact CD1-CB 4.12Å; F27-Y37 WeakPolarHBondContact CD1-O 2.98Å; F27-T38 WeakPolarHBondContact CE1-OG1 3.43Å
28	G	36.4	Very low	30.9	Very low	33 Å²	33	122.1 Å²	122.1	34%	0.34	59%	0.592	S	S	.	*			trans	-150.4	156	174.7	0	0	0	0	0	112.2
29	W	31.3	Very low	31	Very low	186 Å²	186	120.3 Å²	120.3	71%	0.705	58%	0.577	S	S	*	*			trans	-115.5	161.8	-171.3	-64	85.1	0	0	0	112.5
30	K	36.8	Very low	31	Very low	124 Å²	124	123.9 Å²	123.9	54%	0.539	58%	0.577	S	S	.	*			trans	-140.5	130.4	166.4	-176	170.1	-179.3	171	0	109.6	D32 K33	K30-D32 VanDerWaalsContact C-N 3.35Å; K30-D32 PolarHBondContact O-N 3.11Å; K30-D32 VanDerWaalsContact O-N 3.1Å; K30-K33 PolarHBondContact O-N 3.29Å
31	D	36.2	Very low	31.1	Very low	152 Å²	152	121.3 Å²	121.3	81%	0.813	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-11.5	-148.9	-56.1	-61.5	0	0	0	117.8
32	D	44.8	Very low	31	Very low	152 Å²	152	120.3 Å²	120.3	81%	0.813	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-15.4	-178.7	-74.1	-63.7	0	0	0	115.1	K30	K30-D32 VanDerWaalsContact C-N 3.35Å; K30-D32 PolarHBondContact O-N 3.11Å; K30-D32 VanDerWaalsContact O-N 3.1Å
33	K	31.8	Very low	31.1	Very low	156 Å²	156	116.2 Å²	116.2	68%	0.678	56%	0.556	S	S	*	*	S	Bend	trans	-145.5	128	-175.2	-63.8	-176.3	-176.7	173.2	0	110.8	K30 L35	K30-K33 PolarHBondContact O-N 3.29Å; K33-L35 HydrophobicContact CB-CD1 4.37Å; K33-L35 HydrophobicContact CB-CG 4.27Å; K33-L35 PolarHBondContact O-N 3.08Å
34	K	33.5	Very low	31.4	Very low	106 Å²	106	113 Å²	113	46%	0.461	55%	0.551	S	S	.	*			trans	-64.7	72.2	-178.7	-64	-174.4	-179.7	-174.1	0	112.7	Y124	K34-Y124 HydrophobicContact CD-CE1 4.01Å; K34-Y124 VanDerWaalsContact NZ-CE1 3.32Å
35	L	29.8	Very low	31.8	Very low	34 Å²	34	110.4 Å²	110.4	18%	0.178	55%	0.548	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.4	179.7	-60.8	-179.6	0	0	0	109.8	K33 E119 Y120	K33-L35 HydrophobicContact CB-CD1 4.37Å; K33-L35 HydrophobicContact CB-CG 4.27Å; K33-L35 PolarHBondContact O-N 3.08Å; L35-E119 HydrophobicContact CD1-CG 4.23Å; L35-E119 WeakPolarHBondContact CD1-OE1 3.4Å; L35-E119 HydrophobicContact CD2-CG 3.8Å; L35-E119 WeakPolarHBondContact CD2-OE1 3.22Å; L35-E119 HydrophobicContact CG-CG 4.5Å; L35-Y120 WeakPolarHBondContact CD2-O 3.2Å
36	C	30.3	Very low	32	Very low	11 Å²	11	116.7 Å²	116.7	7%	0.074	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.3	137.8	177.5	-115.9	0	0	0	0	109.7	F27 Y122	F27-C36 HydrophobicContact CD1-CB 4.12Å; C36-Y122 HydrophobicContact CB-CE2 4.27Å
37	Y	30.4	Very low	31.7	Very low	79 Å²	79	116.9 Å²	116.9	31%	0.31	58%	0.578	S	S	.	*			trans	-106.4	163.1	-177.3	-59	-53.6	0	0	0	112	F27 I117 W118	F27-Y37 WeakPolarHBondContact CD1-O 2.98Å; Y37-I117 HydrophobicContact CD1-CG2 3.19Å; Y37-I117 HydrophobicContact CE1-CG2 3.71Å; Y37-I117 HydrophobicContact CG-CG2 3.66Å; Y37-W118 WeakPolarHBondContact CD1-O 3.3Å
38	T	28.6	Very low	31.6	Very low	20 Å²	20	120.2 Å²	120.2	12%	0.123	59%	0.593	C	S	.	*			trans	-149.2	139	175.7	-80.8	0	0	0	0	110	M25 F27	M25-T38 HydrophobicContact CB-CG2 4.28Å; M25-T38 HydrophobicContact CG-CG2 3.79Å; M25-T38 HydrophobicContact SD-CG2 3.97Å; F27-T38 WeakPolarHBondContact CE1-OG1 3.43Å
39	F	29.6	Very low	31.5	Very low	120 Å²	120	125.4 Å²	125.4	53%	0.526	61%	0.613	S	S	.	*			trans	-115.2	149.2	-175.7	-56.4	-86.2	0	0	0	111.6	I115 I117	F39-I115 HydrophobicContact CD1-CG2 4.15Å; F39-I115 HydrophobicContact CE1-CG2 4.42Å; F39-I117 HydrophobicContact CE1-CD1 3.76Å; F39-I117 HydrophobicContact CE1-CG1 4.08Å; F39-I117 HydrophobicContact CZ-CD1 4.36Å
40	L	26.8	Very low	31.4	Very low	150 Å²	150	121.7 Å²	121.7	79%	0.785	61%	0.612	S	S	*	*			trans	-137.1	131.2	175.1	-92.7	164.4	0	0	0	110
41	K	28.1	Very low	31	Very low	148 Å²	148	118.5 Å²	118.5	64%	0.643	62%	0.615	S	S	*	*			trans	-107.3	131.3	179.1	-172.1	-179.5	-174.2	-179.4	0	109.9	E153	K41-E153 IonicContact NZ-OE1 3.49Å; K41-E153 PolarHBondContact NZ-OE1 2.64Å; K41-E153 IonicContact NZ-OE2 3.04Å; K41-E153 PolarHBondContact NZ-OE2 3.04Å
42	V	27.3	Very low	30.8	Very low	133 Å²	133	119.7 Å²	119.7	81%	0.806	62%	0.62	S	S	*	*			trans	-124.5	135	176.7	-174.4	0	0	0	0	108.3
43	N	30	Very low	30.1	Very low	128 Å²	128	120.7 Å²	120.7	68%	0.684	62%	0.621	S	S	*	*			trans	-108.7	121	-173.3	-169.8	-5.6	0	0	0	110.9	S45	N43-S45 PolarHBondContact O-N 3.11Å; N43-S45 PolarHBondContact OD1-OG 3.08Å
44	P	31.2	Very low	30.1	Very low	107 Å²	107	116.3 Å²	116.3	70%	0.695	61%	0.609	S	S	*	*			trans	-75.7	-11.6	-170.6	-18.3	32.6	0	0	0	116.6	R46	P44-R46 VanDerWaalsContact C-N 3.28Å; P44-R46 PolarHBondContact O-N 3.29Å
45	S	33.2	Very low	29.9	Very low	102 Å²	102	116.6 Å²	116.6	71%	0.713	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	35.7	-157.7	-50.3	0	0	0	0	117.3	N43	N43-S45 PolarHBondContact O-N 3.11Å; N43-S45 PolarHBondContact OD1-OG 3.08Å
46	R	31.8	Very low	30.1	Very low	234 Å²	234	123.5 Å²	123.5	88%	0.883	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.3	-15.9	179.1	-94.1	-166.7	174	-170.5	-3.1	119.2	P44	P44-R46 VanDerWaalsContact C-N 3.28Å; P44-R46 PolarHBondContact O-N 3.29Å
47	D	28.2	Very low	30.1	Very low	151 Å²	151	130.9 Å²	130.9	81%	0.807	68%	0.677	S	S	*	*	S	Bend	trans	-129.8	138.8	-175.9	-66.9	-77.2	0	0	0	112.4
48	F	28.3	Very low	30.5	Very low	198 Å²	198	133.4 Å²	133.4	87%	0.868	69%	0.69	S	S	*	*			trans	87.4	98.3	165.4	-138.4	-86.6	0	0	0	120.7
49	D	34.3	Very low	30.8	Very low	142 Å²	142	139 Å²	139	76%	0.759	71%	0.709	S	S	*	*			trans	-147.1	124.8	139.9	178	23.2	0	0	0	108.3	G51	D49-G51 PolarHBondContact OD1-N 3.44Å
50	P	28.6	Very low	30.8	Very low	108 Å²	108	141.7 Å²	141.7	70%	0.701	72%	0.72	S	S	*	*			trans	-143.8	79.3	134.8	33.4	-15.2	0	0	0	111.7
51	G	29	Very low	31	Very low	57 Å²	57	139.2 Å²	139.2	59%	0.588	71%	0.707	S	S	*	*			trans	-102.4	-133	-171.2	0	0	0	0	0	117.1	D49	D49-G51 PolarHBondContact OD1-N 3.44Å
52	I	32.3	Very low	31.3	Very low	178 Å²	178	133.5 Å²	133.5	91%	0.913	69%	0.686	S	S	*	*			trans	-138.7	143.4	-166.1	-59	-179.8	0	0	0	110.4
53	M	29.2	Very low	31.6	Very low	172 Å²	172	129 Å²	129	85%	0.847	66%	0.656	S	S	*	*			trans	-88.2	162.9	-163.8	-100.2	-151.6	167.4	0	0	117.4
54	P	31.9	Very low	31.6	Very low	64 Å²	64	129.4 Å²	129.4	42%	0.416	66%	0.658	S	S	.	*			trans	-97.7	-179	-155.9	36.7	-37.3	0	0	0	117.9	F58 R59	P54-F58 HydrophobicContact CB-CD1 4.03Å; P54-R59 VanDerWaalsContact C-NH1 3.32Å; P54-R59 PolarHBondContact O-NH1 2.97Å
55	N	29.2	Very low	31.5	Very low	112 Å²	112	130.2 Å²	130.2	60%	0.599	66%	0.657	S	S	*	*			trans	-102.4	161.1	-175.5	179.6	-69.1	0	0	0	114	Q57 F58 R59	N55-Q57 PolarHBondContact O-N 2.94Å; N55-Q57 PolarHBondContact OD1-N 2.94Å; N55-F58 CarbonylContact O-C 3.6Å; N55-F58 WeakPolarHBondContact O-CA 3.41Å; N55-F58 PolarHBondContact O-N 3.39Å; N55-R59 PolarHBondContact O-N 2.81Å
56	K	34.2	Very low	31.4	Very low	180 Å²	180	134 Å²	134	78%	0.783	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-16.4	-174.4	-139.4	172	-172.3	175.7	0	116	Q63	K56-Q63 PolarHBondContact O-NE2 2.72Å; K56-Q63 VanDerWaalsContact O-NE2 3.07Å
57	Q	31.1	Very low	31.1	Very low	166 Å²	166	129.3 Å²	129.3	78%	0.776	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	14.9	161.6	-89.4	174.2	-24.6	0	0	113.1	N55 Q63	N55-Q57 PolarHBondContact O-N 2.94Å; N55-Q57 PolarHBondContact OD1-N 2.94Å; Q57-Q63 VanDerWaalsContact C-NE2 3.34Å; Q57-Q63 WeakPolarHBondContact O-CG 2.91Å; Q57-Q63 PolarHBondContact O-OE1 2.9Å
58	F	37.3	Very low	31	Very low	131 Å²	131	132 Å²	132	58%	0.575	65%	0.651	S	S	*	*	S	Bend	trans	-110.9	20	158.9	-156.2	-104.7	0	0	0	112.6	P54 N55 Q63	P54-F58 HydrophobicContact CB-CD1 4.03Å; N55-F58 CarbonylContact O-C 3.6Å; N55-F58 WeakPolarHBondContact O-CA 3.41Å; N55-F58 PolarHBondContact O-N 3.39Å; F58-Q63 VanDerWaalsContact C-CB 3.42Å; F58-Q63 VanDerWaalsContact CA-CG 3.47Å
59	R	35.2	Very low	30.9	Very low	139 Å²	139	126.2 Å²	126.2	53%	0.525	65%	0.647	S	S	.	*	S	Bend	trans	-117.2	-21.6	-177.6	-84.9	-168.3	-179.4	94.7	-7.5	132.9	P54 N55 Q63	P54-R59 VanDerWaalsContact C-NH1 3.32Å; P54-R59 PolarHBondContact O-NH1 2.97Å; N55-R59 PolarHBondContact O-N 2.81Å; R59-Q63 VanDerWaalsContact C-NE2 3.33Å
60	K	31	Very low	30.4	Very low	175 Å²	175	129.1 Å²	129.1	76%	0.761	65%	0.653	S	S	*	*	S	Bend	cis	93.7	-106.8	1.4	-101.2	-174.8	-177.4	-174.9	0	128.5	Q63 N64	K60-Q63 VanDerWaalsContact C-CD 3.41Å; K60-Q63 CarbonylContact C-O 3.49Å; K60-Q63 VanDerWaalsContact CA-CB 3.48Å; K60-Q63 VanDerWaalsContact N-NE2 3.18Å; K60-Q63 PolarHBondContact N-O 3.33Å; K60-Q63 CarbonylContact O-C 3.55Å; K60-Q63 VanDerWaalsContact O-C 3.24Å; K60-N64 PolarHBondContact O-N 3.36Å; K60-N64 VanDerWaalsContact O-N 3.11Å; K60-N64 PolarHBondContact O-OD1 3.37Å
61	L	29.2	Very low	30.2	Very low	98 Å²	98	131.7 Å²	131.7	51%	0.513	66%	0.66	S	S	.	*	S	Bend	trans	-110	-59.7	-169.7	-157.5	69.3	0	0	0	119.2	Q63 N64 N65 K67	L61-Q63 VanDerWaalsContact N-CB 3.29Å; L61-Q63 PolarHBondContact O-N 3Å; L61-N64 PolarHBondContact O-N 2.79Å; L61-N65 PolarHBondContact O-N 3.49Å; L61-N65 VanDerWaalsContact O-N 3.08Å; L61-K67 HydrophobicContact CD2-CD 3.76Å; L61-K67 HydrophobicContact CD2-CG 4.36Å; L61-K67 HydrophobicContact CG-CB 4.39Å; L61-K67 HydrophobicContact CG-CD 3.9Å; L61-K67 HydrophobicContact CG-CG 4.07Å
62	C	34.4	Very low	30	Very low	28 Å²	28	133.7 Å²	133.7	19%	0.189	67%	0.665	C	S	.	*	H	α-helix	trans	-58.7	13.2	149.7	-155.1	0	0	0	0	114.7	K67	C62-K67 VanDerWaalsContact CA-N 3.31Å; C62-K67 HydrophobicContact CB-CB 4.33Å; C62-K67 WeakPolarHBondContact CB-O 3.36Å; C62-K67 PolarHBondContact SG-N 3.43Å
63	Q	33.4	Very low	29.6	Very low	38 Å²	38	130.5 Å²	130.5	18%	0.178	66%	0.656	C	S	.	*	H	α-helix	trans	-154.2	3.8	-147.6	-7.5	139.5	-131.6	0	0	106.9	K56 Q57 F58 R59 K60 L61	K56-Q63 PolarHBondContact O-NE2 2.72Å; K56-Q63 VanDerWaalsContact O-NE2 3.07Å; Q57-Q63 VanDerWaalsContact C-NE2 3.34Å; Q57-Q63 WeakPolarHBondContact O-CG 2.91Å; Q57-Q63 PolarHBondContact O-OE1 2.9Å; F58-Q63 VanDerWaalsContact C-CB 3.42Å; F58-Q63 VanDerWaalsContact CA-CG 3.47Å; R59-Q63 VanDerWaalsContact C-NE2 3.33Å; K60-Q63 VanDerWaalsContact C-CD 3.41Å; K60-Q63 CarbonylContact C-O 3.49Å; K60-Q63 VanDerWaalsContact CA-CB 3.48Å; K60-Q63 VanDerWaalsContact N-NE2 3.18Å; K60-Q63 PolarHBondContact N-O 3.33Å; K60-Q63 CarbonylContact O-C 3.55Å; K60-Q63 VanDerWaalsContact O-C 3.24Å; L61-Q63 VanDerWaalsContact N-CB 3.29Å; L61-Q63 PolarHBondContact O-N 3Å
64	N	31.4	Very low	29.5	Very low	138 Å²	138	130.7 Å²	130.7	74%	0.738	66%	0.658	S	S	*	*	H	α-helix	trans	-107.4	-43.3	140.3	-99.9	25.4	0	0	0	108.4	K60 L61	K60-N64 PolarHBondContact O-N 3.36Å; K60-N64 VanDerWaalsContact O-N 3.11Å; K60-N64 PolarHBondContact O-OD1 3.37Å; L61-N64 PolarHBondContact O-N 2.79Å
65	N	28.1	Very low	29.3	Very low	123 Å²	123	136.7 Å²	136.7	66%	0.658	68%	0.678	S	S	*	*	H	α-helix	trans	-175.4	126.6	157.8	-97.3	-36.7	0	0	0	112.3	L61 K67	L61-N65 PolarHBondContact O-N 3.49Å; L61-N65 VanDerWaalsContact O-N 3.08Å; N65-K67 PolarHBondContact O-N 3.1Å
66	F	32.3	Very low	29.3	Very low	181 Å²	181	139.9 Å²	139.9	79%	0.794	69%	0.686	S	S	*	*			trans	44.4	58.4	160.2	-56.1	-79	0	0	0	120.4
67	K	25.6	Very low	29	Very low	137 Å²	137	136.8 Å²	136.8	60%	0.596	69%	0.687	S	S	*	*			trans	-102.9	91.4	164.7	-67.7	-137.3	-170.4	-176.3	0	112	L61 C62 N65	L61-K67 HydrophobicContact CD2-CD 3.76Å; L61-K67 HydrophobicContact CD2-CG 4.36Å; L61-K67 HydrophobicContact CG-CB 4.39Å; L61-K67 HydrophobicContact CG-CD 3.9Å; L61-K67 HydrophobicContact CG-CG 4.07Å; C62-K67 VanDerWaalsContact CA-N 3.31Å; C62-K67 HydrophobicContact CB-CB 4.33Å; C62-K67 WeakPolarHBondContact CB-O 3.36Å; C62-K67 PolarHBondContact SG-N 3.43Å; N65-K67 PolarHBondContact O-N 3.1Å
68	K	25.6	Very low	28.8	Very low	207 Å²	207	134.7 Å²	134.7	90%	0.9	68%	0.681	S	S	*	*			trans	70.7	118.8	165.7	-57.5	-173.4	176.4	-173.2	0	117.5
69	G	24.7	Very low	28.3	Very low	76 Å²	76	136.1 Å²	136.1	78%	0.784	70%	0.695	S	S	*	*			trans	-167.9	129.5	164.2	0	0	0	0	0	110.3
70	F	24.9	Very low	27.9	Very low	203 Å²	203	136 Å²	136	89%	0.89	71%	0.709	S	S	*	*			trans	-121.4	-170.2	176.5	-98.7	-100	0	0	0	108.7
71	I	24.1	Very low	27.7	Very low	163 Å²	163	137.5 Å²	137.5	84%	0.836	72%	0.716	S	S	*	*			trans	84.9	134.4	170.6	-52.1	156.8	0	0	0	113
72	S	25.5	Very low	27.6	Very low	99 Å²	99	140.8 Å²	140.8	69%	0.692	73%	0.732	S	S	*	*			cis	-163.3	166.2	-18.9	-101.1	0	0	0	0	109.3
73	P	23.7	Very low	27.2	Very low	111 Å²	111	142.9 Å²	142.9	72%	0.721	76%	0.758	S	S	*	*			trans	-74.3	148.8	-172.9	29.2	-36.2	0	0	0	115.6
74	I	27.9	Very low	27	Very low	176 Å²	176	150 Å²	150	90%	0.903	79%	0.789	S	S	*	*			trans	-71.1	149.8	170.4	-64.7	174	0	0	0	110.2
75	K	26.9	Very low	26.9	Very low	189 Å²	189	151.7 Å²	151.7	82%	0.822	79%	0.792	S	S	*	*			trans	-115.8	119.2	-164.6	-58.3	171	-175.2	173	0	111.6
76	K	28.1	Very low	26.9	Very low	179 Å²	179	154.7 Å²	154.7	78%	0.778	80%	0.802	S	S	*	*			trans	75.7	97.5	169.2	-59.6	-172.3	174.6	-171.5	0	119.6	D78	K76-D78 PolarHBondContact O-N 2.91Å
77	S	27.9	Very low	26.8	Very low	116 Å²	116	151 Å²	151	81%	0.811	80%	0.796	S	S	*	*	S	Bend		67.9	-64.4	112.9	-162.7	0	0	0	0	121.6
78	D	28	Very low	27.1	Very low	121 Å²	121	152.1 Å²	152.1	65%	0.647	81%	0.808	S	S	*	*			trans	-105.7	-2.3	-136.2	-57.7	-49.1	0	0	0	118.2	K76	K76-D78 PolarHBondContact O-N 2.91Å
79	D	25.9	Very low	27.1	Very low	161 Å²	161	149 Å²	149	86%	0.861	80%	0.8	S	S	*	*			trans	-97	15.2	-159	-84.4	-32.6	0	0	0	118.5
80	V	27.1	Very low	27.4	Very low	136 Å²	136	154.3 Å²	154.3	82%	0.824	80%	0.802	S	S	*	*			trans	-130.5	122.5	178.8	-171.3	0	0	0	0	113.6
81	K	26.6	Very low	27.6	Very low	208 Å²	208	150 Å²	150	90%	0.904	79%	0.792	S	S	*	*			trans	-106.6	152.2	175.8	-68.2	177.8	179.8	172.9	0	111.8
82	I	27.2	Very low	27.7	Very low	167 Å²	167	152.3 Å²	152.3	86%	0.856	79%	0.792	S	S	*	*			trans	-107.3	131.7	-170.8	-60	173.1	0	0	0	111.7
83	G	27.2	Very low	28.2	Very low	71 Å²	71	152.4 Å²	152.4	73%	0.732	79%	0.792	S	S	*	*			trans	-96.1	161.5	168.7	0	0	0	0	0	113
84	K	28.4	Very low	28.7	Very low	189 Å²	189	149.7 Å²	149.7	82%	0.822	78%	0.784	S	S	*	*			trans	-106.6	141.4	-167.7	-72.5	-176.5	178.1	179.4	0	115.2
85	Q	29	Very low	29.1	Very low	172 Å²	172	143.5 Å²	143.5	80%	0.804	76%	0.755	S	S	*	*			trans	56.9	131.6	143.2	-68	174.2	-56.5	0	0	120.7
86	H	27.9	Very low	29.8	Very low	186 Å²	186	138.3 Å²	138.3	86%	0.861	74%	0.739	S	S	*	*			trans	-145.1	136.6	145.9	-125.2	-86.9	0	0	0	110
87	P	30.6	Very low	30.5	Very low	104 Å²	104	134.1 Å²	134.1	68%	0.675	72%	0.724	S	S	*	*			trans	-99.1	152.7	179.7	36.8	-33.5	0	0	0	113
88	L	31.3	Very low	31.3	Very low	160 Å²	160	134.2 Å²	134.2	84%	0.838	71%	0.71	S	S	*	*			trans	151.1	98.5	142.5	-83.9	165.9	0	0	0	110.9
89	L	26.9	Very low	32	Very low	141 Å²	141	134 Å²	134	74%	0.738	70%	0.703	S	S	*	*			trans	-105.8	135.1	162.5	-81.5	164.2	0	0	0	108.5
90	K	29.5	Very low	32.8	Very low	189 Å²	189	129.2 Å²	129.2	82%	0.822	68%	0.683	S	S	*	*			trans	-124.6	117.8	174.3	-85.2	-170.6	173	-176.4	0	111
91	V	29.1	Very low	33.6	Very low	113 Å²	113	124.1 Å²	124.1	69%	0.685	65%	0.653	S	S	*	*			trans	38	117.5	151.2	-168.2	0	0	0	0	117.7
92	Y	26.9	Very low	34.5	Very low	211 Å²	211	118.7 Å²	118.7	83%	0.827	63%	0.631	S	S	*	*	B	Isolated β-bridge	trans	-129.7	142.2	162.2	-136.5	-100.2	0	0	0	110	G94 V95	Y92-G94 VanDerWaalsContact C-N 3.31Å; Y92-G94 PolarHBondContact O-N 2.99Å; Y92-G94 VanDerWaalsContact O-N 3.11Å; Y92-V95 PolarHBondContact O-N 3.33Å
93	S	35.7	Very low	35.4	Very low	100 Å²	100	116.7 Å²	116.7	70%	0.699	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	51	34.5	170.8	-162	0	0	0	0	117.3	V95	S93-V95 PolarHBondContact O-N 2.95Å; S93-V95 VanDerWaalsContact O-N 3.11Å
94	G	34.1	Very low	36.4	Very low	54 Å²	54	114.3 Å²	114.3	56%	0.557	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.3	-0.4	175.5	0	0	0	0	0	115.7	Y92	Y92-G94 VanDerWaalsContact C-N 3.31Å; Y92-G94 PolarHBondContact O-N 2.99Å; Y92-G94 VanDerWaalsContact O-N 3.11Å
95	V	37.1	Very low	37.1	Very low	47 Å²	47	106.4 Å²	106.4	29%	0.285	56%	0.563	S	S	.	*	B	Isolated β-bridge	trans	-87.5	122.5	178	176	0	0	0	0	109.4	Y92 S93 Y124	Y92-V95 PolarHBondContact O-N 3.33Å; S93-V95 PolarHBondContact O-N 2.95Å; S93-V95 VanDerWaalsContact O-N 3.11Å; V95-Y124 HydrophobicContact CG1-CD2 3.76Å; V95-Y124 HydrophobicContact CG1-CG 3.74Å
96	T	40.5	Very low	37.6	Very low	80 Å²	80	101.5 Å²	101.5	49%	0.491	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	109.9	176.6	-61.3	0	0	0	0	109.5	K98 Y124 E125	T96-K98 PolarHBondContact O-N 2.72Å; T96-Y124 VanDerWaalsContact O-CA 3.22Å; T96-Y124 WeakPolarHBondContact O-CA 3.38Å; T96-E125 PolarHBondContact N-O 2.78Å; T96-E125 VanDerWaalsContact N-O 3.08Å; T96-E125 PolarHBondContact O-N 3.42Å; T96-E125 VanDerWaalsContact O-N 3.08Å
97	I	42.7	Very low	38.1	Very low	90 Å²	90	100.6 Å²	100.6	46%	0.462	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	111.8	171.3	-59.6	175.9	0	0	0	108.1	F99 Y122 E123	I97-F99 WeakPolarHBondContact CG2-O 3.42Å; I97-Y122 HydrophobicContact CD1-CD1 4.41Å; I97-Y122 HydrophobicContact CG2-CD1 4.06Å; I97-E123 CarbonylContact C-O 3.42Å; I97-E123 WeakPolarHBondContact CA-O 3.42Å
98	K	45.2	Very low	38.4	Very low	119 Å²	119	101.1 Å²	101.1	52%	0.517	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-34.7	177.7	-71.6	-172.3	172.6	177.9	0	112.4	T96 E123 E125	T96-K98 PolarHBondContact O-N 2.72Å; K98-E123 PolarHBondContact N-O 2.68Å; K98-E125 VanDerWaalsContact CE-CD 3.46Å; K98-E125 WeakPolarHBondContact CE-OE2 3.47Å; K98-E125 IonicContact NZ-OE1 2.69Å; K98-E125 PolarHBondContact NZ-OE1 3.17Å; K98-E125 IonicContact NZ-OE2 3.32Å; K98-E125 PolarHBondContact NZ-OE2 2.93Å
99	F	42.2	Very low	38.5	Very low	116 Å²	116	100.8 Å²	100.8	51%	0.509	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	148.4	-176.9	-176.1	-109.4	0	0	0	111.6	I97 Y122 E123	I97-F99 WeakPolarHBondContact CG2-O 3.42Å; F99-Y122 WeakPolarHBondContact O-CA 3.34Å; F99-E123 HydrophobicContact CB-CB 4.04Å; F99-E123 PolarHBondContact N-O 3.16Å; F99-E123 PolarHBondContact O-N 2.97Å
100	S	43.1	Very low	38.9	Very low	61 Å²	61	98.1 Å²	98.1	43%	0.427	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	123.2	170.6	64	0	0	0	0	109.5	S121 Y122	S100-S121 WeakPolarHBondContact CA-O 3.44Å; S100-Y122 VanDerWaalsContact CB-CD1 3.47Å
101	S	44.1	Very low	39.1	Very low	29 Å²	29	94.5 Å²	94.5	20%	0.203	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.7	169.5	57.5	0	0	0	0	111	K103 Y120 S121	S101-K103 PolarHBondContact O-N 2.83Å; S101-Y120 WeakPolarHBondContact O-CA 3.38Å; S101-S121 PolarHBondContact N-O 2.83Å; S101-S121 PolarHBondContact O-N 2.82Å; S101-S121 PolarHBondContact OG-OG 2.89Å
102	H	46.5	Very low	39.3	Very low	94 Å²	94	96.1 Å²	96.1	44%	0.435	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	122.4	160.6	171.2	-116.8	0	0	0	108.6	G104 W118 Y120	H102-G104 PolarHBondContact CD2-O 3.36Å; H102-G104 WeakPolarHBondContact NE2-CA 3.39Å; H102-G104 PolarHBondContact NE2-O 2.9Å; H102-W118 AromaticContact CD2-CE3 3.59Å; H102-W118 AromaticContact CD2-CZ3 3.99Å; H102-W118 AromaticContact NE2-CE3 3.37Å; H102-W118 AromaticContact NE2-CZ3 3.55Å; H102-Y120 HydrophobicContact CB-CD1 4.03Å; H102-Y120 HydrophobicContact CB-CE1 3.87Å
103	K	46.4	Very low	39.7	Very low	125 Å²	125	91.8 Å²	91.8	54%	0.543	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-28.8	178.5	-72.7	-74.1	171.5	179.8	0	112	S101 E119 S121	S101-K103 PolarHBondContact O-N 2.83Å; K103-E119 HydrophobicContact CB-CB 4.08Å; K103-E119 VanDerWaalsContact CB-CD 3.47Å; K103-E119 HydrophobicContact CB-CG 3.77Å; K103-E119 HydrophobicContact CG-CG 4.41Å; K103-E119 PolarHBondContact N-O 3.3Å; K103-S121 WeakPolarHBondContact CE-OG 3.33Å
104	G	46.2	Very low	39.6	Very low	20 Å²	20	94.5 Å²	94.5	21%	0.206	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.9	-164.8	-178.6	0	0	0	0	0	109.7	H102 E119	H102-G104 PolarHBondContact CD2-O 3.36Å; H102-G104 WeakPolarHBondContact NE2-CA 3.39Å; H102-G104 PolarHBondContact NE2-O 2.9Å; G104-E119 WeakPolarHBondContact O-CA 3.5Å; G104-E119 WeakPolarHBondContact O-CB 3.44Å; G104-E119 PolarHBondContact O-N 2.67Å
105	G	43.8	Very low	39.7	Very low	24 Å²	24	94.7 Å²	94.7	25%	0.247	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	146.6	166.7	0	0	0	0	0	110.9	Y116 I117	G105-Y116 WeakPolarHBondContact CA-OH 3.03Å; G105-Y116 PolarHBondContact N-OH 3.27Å; G105-Y116 VanDerWaalsContact O-CE2 3.3Å; G105-Y116 WeakPolarHBondContact O-CE2 3.35Å; G105-I117 CarbonylContact C-O 3.52Å; G105-I117 WeakPolarHBondContact CA-O 3.49Å
106	V	39.5	Very low	39.7	Very low	69 Å²	69	95.7 Å²	95.7	42%	0.418	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.6	-175.1	-178	0	0	0	0	109.4	Y108 I117	V106-Y108 HydrophobicContact CB-CD2 4.31Å; V106-Y108 HydrophobicContact CB-CE2 3.63Å; V106-Y108 HydrophobicContact CG1-CD2 3.99Å; V106-Y108 HydrophobicContact CG1-CE1 4.32Å; V106-Y108 HydrophobicContact CG1-CE2 3.45Å; V106-Y108 VanDerWaalsContact CG1-CE2 3.45Å; V106-I117 PolarHBondContact N-O 2.64Å; V106-I117 PolarHBondContact O-N 3.47Å
107	Y	39	Very low	39.6	Very low	166 Å²	166	93 Å²	93	65%	0.651	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	115	170.4	-74.4	-80.7	0	0	0	110.2	I115 Y116	Y107-I115 WeakPolarHBondContact CA-O 3.46Å; Y107-Y116 AromaticContact CD1-CD2 3.57Å; Y107-Y116 HydrophobicContact CD1-CD2 3.57Å; Y107-Y116 HydrophobicContact CD1-CE2 4.44Å; Y107-Y116 HydrophobicContact CD1-CG 4.17Å; Y107-Y116 AromaticContact CD2-CD2 3.58Å; Y107-Y116 HydrophobicContact CD2-CD2 3.58Å; Y107-Y116 AromaticContact CD2-CE2 3.66Å; Y107-Y116 HydrophobicContact CD2-CE2 3.66Å; Y107-Y116 AromaticContact CE1-CD2 3.43Å; Y107-Y116 HydrophobicContact CE1-CD2 3.43Å; Y107-Y116 VanDerWaalsContact CE1-CD2 3.43Å; Y107-Y116 HydrophobicContact CE1-CE2 4.19Å; Y107-Y116 AromaticContact CE1-CG 3.8Å; Y107-Y116 HydrophobicContact CE1-CG 3.8Å; Y107-Y116 AromaticContact CE2-CD2 3.45Å; Y107-Y116 HydrophobicContact CE2-CD2 3.45Å; Y107-Y116 VanDerWaalsContact CE2-CD2 3.45Å; Y107-Y116 AromaticContact CE2-CE2 3.35Å; Y107-Y116 HydrophobicContact CE2-CE2 3.35Å; Y107-Y116 HydrophobicContact CE2-CG 4.45Å; Y107-Y116 AromaticContact CG-CD2 3.64Å; Y107-Y116 HydrophobicContact CG-CD2 3.64Å; Y107-Y116 HydrophobicContact CG-CE2 4.21Å; Y107-Y116 AromaticContact CZ-CD2 3.37Å; Y107-Y116 AromaticContact CZ-CE2 3.64Å; Y107-Y116 AromaticContact CZ-CG 3.95Å
108	Y	36.4	Very low	39.5	Very low	115 Å²	115	93.3 Å²	93.3	45%	0.451	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.2	169.1	-65.7	-92.6	0	0	0	109.4	V106 Y114 I115 I117	V106-Y108 HydrophobicContact CB-CD2 4.31Å; V106-Y108 HydrophobicContact CB-CE2 3.63Å; V106-Y108 HydrophobicContact CG1-CD2 3.99Å; V106-Y108 HydrophobicContact CG1-CE1 4.32Å; V106-Y108 HydrophobicContact CG1-CE2 3.45Å; V106-Y108 VanDerWaalsContact CG1-CE2 3.45Å; Y108-Y114 WeakPolarHBondContact O-CA 3.49Å; Y108-I115 PolarHBondContact N-O 3.19Å; Y108-I115 PolarHBondContact O-N 3.27Å; Y108-I117 HydrophobicContact CD2-CB 4.34Å; Y108-I117 HydrophobicContact CD2-CD1 3.66Å; Y108-I117 HydrophobicContact CD2-CG1 3.86Å; Y108-I117 HydrophobicContact CE2-CB 4.11Å; Y108-I117 HydrophobicContact CE2-CD1 3.61Å; Y108-I117 HydrophobicContact CE2-CG1 3.99Å
109	K	33.5	Very low	39.2	Very low	154 Å²	154	90.3 Å²	90.3	67%	0.67	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	113.7	176.8	-177.7	178.1	-179.8	179.7	0	110	Y114	K109-Y114 HydrophobicContact CB-CD1 4.02Å; K109-Y114 HydrophobicContact CB-CE1 3.77Å; K109-Y114 HydrophobicContact CD-CE1 3.82Å; K109-Y114 HydrophobicContact CG-CD1 4.15Å; K109-Y114 HydrophobicContact CG-CE1 3.57Å
110	W	35.4	Very low	39.1	Very low	84 Å²	84	88.1 Å²	88.1	32%	0.318	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	153.9	164.9	-147.2	-96.6	0	0	0	109	N112 H113 W155 L205	W110-N112 PolarHBondContact O-N 3.14Å; W110-H113 CarbonylContact C-O 3.43Å; W110-H113 WeakPolarHBondContact CA-O 3.41Å; W110-H113 HydrophobicContact CB-CB 4.19Å; W110-H113 WeakPolarHBondContact CB-O 3.47Å; W110-H113 PolarHBondContact N-O 3.19Å; W110-H113 PolarHBondContact O-N 2.82Å; W110-H113 VanDerWaalsContact O-N 3.16Å; W110-W155 HydrophobicContact CH2-CE3 4.44Å; W110-W155 AromaticContact CH2-CH2 3.62Å; W110-W155 HydrophobicContact CH2-CH2 3.62Å; W110-W155 AromaticContact CH2-CZ2 3.89Å; W110-W155 HydrophobicContact CH2-CZ2 3.89Å; W110-W155 AromaticContact CH2-CZ3 3.92Å; W110-W155 HydrophobicContact CH2-CZ3 3.92Å; W110-W155 AromaticContact CZ2-CH2 3.33Å; W110-W155 HydrophobicContact CZ2-CH2 3.33Å; W110-W155 AromaticContact CZ2-CZ2 3.6Å; W110-W155 HydrophobicContact CZ2-CZ2 3.6Å; W110-W155 HydrophobicContact CZ2-CZ3 4.07Å; W110-L205 HydrophobicContact CH2-CD1 4.15Å; W110-L205 HydrophobicContact CZ3-CD1 4.28Å
111	P	33.6	Very low	39	Very low	113 Å²	113	86.4 Å²	86.4	73%	0.734	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	-35.1	-178.8	3.5	-22.7	0	0	0	116.5
112	N	33.6	Very low	38.9	Very low	147 Å²	147	87.5 Å²	87.5	79%	0.786	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	1.9	178.3	-68	-22.4	0	0	0	114.8	W110	W110-N112 PolarHBondContact O-N 3.14Å
113	H	34	Very low	38.6	Very low	120 Å²	120	88.7 Å²	88.7	56%	0.556	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.3	157.6	-171.7	-58.9	116.4	0	0	0	112.4	W110	W110-H113 CarbonylContact C-O 3.43Å; W110-H113 WeakPolarHBondContact CA-O 3.41Å; W110-H113 HydrophobicContact CB-CB 4.19Å; W110-H113 WeakPolarHBondContact CB-O 3.47Å; W110-H113 PolarHBondContact N-O 3.19Å; W110-H113 PolarHBondContact O-N 2.82Å; W110-H113 VanDerWaalsContact O-N 3.16Å
114	Y	33.9	Very low	38.5	Very low	158 Å²	158	87.7 Å²	87.7	62%	0.62	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	130	165.4	-66.8	-87.8	0	0	0	109.2	Y108 K109	Y108-Y114 WeakPolarHBondContact O-CA 3.49Å; K109-Y114 HydrophobicContact CB-CD1 4.02Å; K109-Y114 HydrophobicContact CB-CE1 3.77Å; K109-Y114 HydrophobicContact CD-CE1 3.82Å; K109-Y114 HydrophobicContact CG-CD1 4.15Å; K109-Y114 HydrophobicContact CG-CE1 3.57Å
115	I	36	Very low	38.2	Very low	57 Å²	57	91.9 Å²	91.9	29%	0.292	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.9	173.6	-52.3	174.6	0	0	0	106.7	F39 Y107 Y108 I117	F39-I115 HydrophobicContact CD1-CG2 4.15Å; F39-I115 HydrophobicContact CE1-CG2 4.42Å; Y107-I115 WeakPolarHBondContact CA-O 3.46Å; Y108-I115 PolarHBondContact N-O 3.19Å; Y108-I115 PolarHBondContact O-N 3.27Å; I115-I117 HydrophobicContact CG2-CD1 4.32Å; I115-I117 HydrophobicContact CG2-CG1 3.8Å
116	Y	37.6	Very low	38.3	Very low	68 Å²	68	94.3 Å²	94.3	27%	0.267	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	112.6	171.1	-171.7	-119.8	0	0	0	109.3	G105 Y107 W118	G105-Y116 WeakPolarHBondContact CA-OH 3.03Å; G105-Y116 PolarHBondContact N-OH 3.27Å; G105-Y116 VanDerWaalsContact O-CE2 3.3Å; G105-Y116 WeakPolarHBondContact O-CE2 3.35Å; Y107-Y116 AromaticContact CD1-CD2 3.57Å; Y107-Y116 HydrophobicContact CD1-CD2 3.57Å; Y107-Y116 HydrophobicContact CD1-CE2 4.44Å; Y107-Y116 HydrophobicContact CD1-CG 4.17Å; Y107-Y116 AromaticContact CD2-CD2 3.58Å; Y107-Y116 HydrophobicContact CD2-CD2 3.58Å; Y107-Y116 AromaticContact CD2-CE2 3.66Å; Y107-Y116 HydrophobicContact CD2-CE2 3.66Å; Y107-Y116 AromaticContact CE1-CD2 3.43Å; Y107-Y116 HydrophobicContact CE1-CD2 3.43Å; Y107-Y116 VanDerWaalsContact CE1-CD2 3.43Å; Y107-Y116 HydrophobicContact CE1-CE2 4.19Å; Y107-Y116 AromaticContact CE1-CG 3.8Å; Y107-Y116 HydrophobicContact CE1-CG 3.8Å; Y107-Y116 AromaticContact CE2-CD2 3.45Å; Y107-Y116 HydrophobicContact CE2-CD2 3.45Å; Y107-Y116 VanDerWaalsContact CE2-CD2 3.45Å; Y107-Y116 AromaticContact CE2-CE2 3.35Å; Y107-Y116 HydrophobicContact CE2-CE2 3.35Å; Y107-Y116 HydrophobicContact CE2-CG 4.45Å; Y107-Y116 AromaticContact CG-CD2 3.64Å; Y107-Y116 HydrophobicContact CG-CD2 3.64Å; Y107-Y116 HydrophobicContact CG-CE2 4.21Å; Y107-Y116 AromaticContact CZ-CD2 3.37Å; Y107-Y116 AromaticContact CZ-CE2 3.64Å; Y107-Y116 AromaticContact CZ-CG 3.95Å; Y116-W118 HydrophobicContact CD1-CD2 4.18Å; Y116-W118 AromaticContact CD1-CE2 3.73Å; Y116-W118 HydrophobicContact CD1-CG 4.4Å; Y116-W118 HydrophobicContact CD1-CZ2 4.09Å; Y116-W118 AromaticContact CD1-NE1 3.68Å; Y116-W118 AromaticContact CE1-CD2 3.77Å; Y116-W118 HydrophobicContact CE1-CD2 3.77Å; Y116-W118 AromaticContact CE1-CE2 3.6Å; Y116-W118 HydrophobicContact CE1-CE3 4.06Å; Y116-W118 HydrophobicContact CE1-CG 4.31Å; Y116-W118 HydrophobicContact CE1-CH2 4.06Å; Y116-W118 AromaticContact CE1-CZ2 3.76Å; Y116-W118 HydrophobicContact CE1-CZ2 3.76Å; Y116-W118 HydrophobicContact CE1-CZ3 4.2Å
117	I	38.4	Very low	38.7	Very low	23 Å²	23	97 Å²	97	12%	0.118	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	111.5	-178.8	-62.3	-169.7	0	0	0	108.4	Y37 F39 G105 V106 Y108 I115	Y37-I117 HydrophobicContact CD1-CG2 3.19Å; Y37-I117 HydrophobicContact CE1-CG2 3.71Å; Y37-I117 HydrophobicContact CG-CG2 3.66Å; F39-I117 HydrophobicContact CE1-CD1 3.76Å; F39-I117 HydrophobicContact CE1-CG1 4.08Å; F39-I117 HydrophobicContact CZ-CD1 4.36Å; G105-I117 CarbonylContact C-O 3.52Å; G105-I117 WeakPolarHBondContact CA-O 3.49Å; V106-I117 PolarHBondContact N-O 2.64Å; V106-I117 PolarHBondContact O-N 3.47Å; Y108-I117 HydrophobicContact CD2-CB 4.34Å; Y108-I117 HydrophobicContact CD2-CD1 3.66Å; Y108-I117 HydrophobicContact CD2-CG1 3.86Å; Y108-I117 HydrophobicContact CE2-CB 4.11Å; Y108-I117 HydrophobicContact CE2-CD1 3.61Å; Y108-I117 HydrophobicContact CE2-CG1 3.99Å; I115-I117 HydrophobicContact CG2-CD1 4.32Å; I115-I117 HydrophobicContact CG2-CG1 3.8Å
118	W	40.9	Very low	38.7	Very low	98 Å²	98	93.4 Å²	93.4	37%	0.371	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.9	175.7	-63.9	86.6	0	0	0	111.2	Y37 H102 Y116 Y120	Y37-W118 WeakPolarHBondContact CD1-O 3.3Å; H102-W118 AromaticContact CD2-CE3 3.59Å; H102-W118 AromaticContact CD2-CZ3 3.99Å; H102-W118 AromaticContact NE2-CE3 3.37Å; H102-W118 AromaticContact NE2-CZ3 3.55Å; Y116-W118 HydrophobicContact CD1-CD2 4.18Å; Y116-W118 AromaticContact CD1-CE2 3.73Å; Y116-W118 HydrophobicContact CD1-CG 4.4Å; Y116-W118 HydrophobicContact CD1-CZ2 4.09Å; Y116-W118 AromaticContact CD1-NE1 3.68Å; Y116-W118 AromaticContact CE1-CD2 3.77Å; Y116-W118 HydrophobicContact CE1-CD2 3.77Å; Y116-W118 AromaticContact CE1-CE2 3.6Å; Y116-W118 HydrophobicContact CE1-CE3 4.06Å; Y116-W118 HydrophobicContact CE1-CG 4.31Å; Y116-W118 HydrophobicContact CE1-CH2 4.06Å; Y116-W118 AromaticContact CE1-CZ2 3.76Å; Y116-W118 HydrophobicContact CE1-CZ2 3.76Å; Y116-W118 HydrophobicContact CE1-CZ3 4.2Å; W118-Y120 HydrophobicContact CB-CD2 4.18Å; W118-Y120 HydrophobicContact CB-CE2 3.59Å; W118-Y120 HydrophobicContact CG-CE2 4.31Å
119	E	39.2	Very low	38.7	Very low	56 Å²	56	96.2 Å²	96.2	26%	0.262	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.5	174.8	-169.4	-166.9	162.1	0	0	109.9	L35 K103 G104	L35-E119 HydrophobicContact CD1-CG 4.23Å; L35-E119 WeakPolarHBondContact CD1-OE1 3.4Å; L35-E119 HydrophobicContact CD2-CG 3.8Å; L35-E119 WeakPolarHBondContact CD2-OE1 3.22Å; L35-E119 HydrophobicContact CG-CG 4.5Å; K103-E119 HydrophobicContact CB-CB 4.08Å; K103-E119 VanDerWaalsContact CB-CD 3.47Å; K103-E119 HydrophobicContact CB-CG 3.77Å; K103-E119 HydrophobicContact CG-CG 4.41Å; K103-E119 PolarHBondContact N-O 3.3Å; G104-E119 WeakPolarHBondContact O-CA 3.5Å; G104-E119 WeakPolarHBondContact O-CB 3.44Å; G104-E119 PolarHBondContact O-N 2.67Å
120	Y	40	Very low	38.6	Very low	69 Å²	69	95 Å²	95	27%	0.271	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.7	174.3	-65.4	-89.3	0	0	0	110.7	L35 S101 H102 W118 Y122	L35-Y120 WeakPolarHBondContact CD2-O 3.2Å; S101-Y120 WeakPolarHBondContact O-CA 3.38Å; H102-Y120 HydrophobicContact CB-CD1 4.03Å; H102-Y120 HydrophobicContact CB-CE1 3.87Å; W118-Y120 HydrophobicContact CB-CD2 4.18Å; W118-Y120 HydrophobicContact CB-CE2 3.59Å; W118-Y120 HydrophobicContact CG-CE2 4.31Å; Y120-Y122 VanDerWaalsContact CB-CE2 3.44Å; Y120-Y122 WeakPolarHBondContact CB-OH 3.33Å; Y120-Y122 HydrophobicContact CG-CE2 4.44Å
121	S	41.8	Very low	38.3	Very low	25 Å²	25	97.6 Å²	97.6	18%	0.175	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.6	167.8	67.9	0	0	0	0	110.8	S100 S101 K103	S100-S121 WeakPolarHBondContact CA-O 3.44Å; S101-S121 PolarHBondContact N-O 2.83Å; S101-S121 PolarHBondContact O-N 2.82Å; S101-S121 PolarHBondContact OG-OG 2.89Å; K103-S121 WeakPolarHBondContact CE-OG 3.33Å
122	Y	40.6	Very low	37.9	Very low	53 Å²	53	96.2 Å²	96.2	21%	0.208	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.2	-173.3	-57.1	-89.5	0	0	0	112.1	C36 I97 F99 S100 Y120	C36-Y122 HydrophobicContact CB-CE2 4.27Å; I97-Y122 HydrophobicContact CD1-CD1 4.41Å; I97-Y122 HydrophobicContact CG2-CD1 4.06Å; F99-Y122 WeakPolarHBondContact O-CA 3.34Å; S100-Y122 VanDerWaalsContact CB-CD1 3.47Å; Y120-Y122 VanDerWaalsContact CB-CE2 3.44Å; Y120-Y122 WeakPolarHBondContact CB-OH 3.33Å; Y120-Y122 HydrophobicContact CG-CE2 4.44Å
123	E	41.8	Very low	37.4	Very low	118 Å²	118	99.3 Å²	99.3	55%	0.551	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.6	172.2	-170.5	170.8	-136.6	0	0	109.5	I97 K98 F99	I97-E123 CarbonylContact C-O 3.42Å; I97-E123 WeakPolarHBondContact CA-O 3.42Å; K98-E123 PolarHBondContact N-O 2.68Å; F99-E123 HydrophobicContact CB-CB 4.04Å; F99-E123 PolarHBondContact N-O 3.16Å; F99-E123 PolarHBondContact O-N 2.97Å
124	Y	42.7	Very low	36.9	Very low	104 Å²	104	100.3 Å²	100.3	41%	0.408	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	163.8	-170.1	69.2	-108.7	0	0	0	114.1	K34 V95 T96	K34-Y124 HydrophobicContact CD-CE1 4.01Å; K34-Y124 VanDerWaalsContact NZ-CE1 3.32Å; V95-Y124 HydrophobicContact CG1-CD2 3.76Å; V95-Y124 HydrophobicContact CG1-CG 3.74Å; T96-Y124 VanDerWaalsContact O-CA 3.22Å; T96-Y124 WeakPolarHBondContact O-CA 3.38Å
125	E	41.3	Very low	36.4	Very low	108 Å²	108	98.4 Å²	98.4	51%	0.505	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.1	-179.8	-174.6	165.9	-99.7	0	0	111.6	T96 K98	T96-E125 PolarHBondContact N-O 2.78Å; T96-E125 VanDerWaalsContact N-O 3.08Å; T96-E125 PolarHBondContact O-N 3.42Å; T96-E125 VanDerWaalsContact O-N 3.08Å; K98-E125 VanDerWaalsContact CE-CD 3.46Å; K98-E125 WeakPolarHBondContact CE-OE2 3.47Å; K98-E125 IonicContact NZ-OE1 2.69Å; K98-E125 PolarHBondContact NZ-OE1 3.17Å; K98-E125 IonicContact NZ-OE2 3.32Å; K98-E125 PolarHBondContact NZ-OE2 2.93Å
126	S	45.9	Very low	35.9	Very low	76 Å²	76	102 Å²	102	53%	0.531	56%	0.562	S	S	.	*			trans	-148.2	135.1	-172.7	55.2	0	0	0	0	113
127	P	47.3	Very low	35.2	Very low	124 Å²	124	109.5 Å²	109.5	81%	0.805	59%	0.589	S	S	*	*			trans	-75.9	162.5	170.8	-11.5	28.7	0	0	0	113.2
128	A	39.1	Very low	34.5	Very low	91 Å²	91	113 Å²	113	75%	0.752	62%	0.615	S	S	*	*			trans	-131.8	162.1	-172.1	0	0	0	0	0	114.9
129	E	37	Very low	33.7	Very low	175 Å²	175	117.5 Å²	117.5	82%	0.818	64%	0.641	S	S	*	*			trans	67.9	102.9	169.2	-59.2	-158.5	125.5	0	0	117
130	T	30.1	Very low	32.9	Very low	127 Å²	127	118 Å²	118	78%	0.779	66%	0.66	S	S	*	*				74.7	151.9	76.8	62.7	0	0	0	0	113.6
131	V	29.5	Very low	32.2	Very low	139 Å²	139	119.2 Å²	119.2	84%	0.842	68%	0.679	S	S	*	*			cis	-163.7	165.3	0.5	113.1	0	0	0	0	107.1
132	A	25.5	Very low	31.4	Very low	85 Å²	85	125.9 Å²	125.9	70%	0.702	71%	0.708	S	S	*	*			cis	-171.5	170.6	-37.3	0	0	0	0	0	108.2
133	K	23.1	Very low	30.7	Very low	211 Å²	211	131 Å²	131	92%	0.917	73%	0.733	S	S	*	*			trans	-155.3	160.4	171.2	-115.9	168.9	-173.1	174.5	0	113.5
134	T	24.3	Very low	30	Very low	141 Å²	141	134.9 Å²	134.9	87%	0.865	75%	0.748	S	S	*	*			trans	-136.7	153.7	-149.6	31.3	0	0	0	0	117.3
135	S	23	Very low	29.3	Very low	118 Å²	118	135.1 Å²	135.1	83%	0.825	76%	0.757	S	S	*	*			trans	-155.8	171.5	148.5	75	0	0	0	0	110.9
136	T	24.2	Very low	28.7	Very low	134 Å²	134	134.6 Å²	134.6	82%	0.822	76%	0.76	S	S	*	*			trans	-140.4	-179.4	-173	55.2	0	0	0	0	110.4
137	R	23.5	Very low	27.9	Very low	225 Å²	225	135 Å²	135	85%	0.849	75%	0.751	S	S	*	*			cis	-176.1	151.6	36.3	173.8	-177.1	177.9	168.2	0.8	108.2
138	S	23.6	Very low	27.2	Very low	95 Å²	95	129.9 Å²	129.9	66%	0.664	72%	0.721	S	S	*	*			cis	-164.5	-160.9	-16.6	55.8	0	0	0	0	109.4
139	H	23.9	Very low	26.9	Very low	194 Å²	194	128.9 Å²	128.9	90%	0.898	71%	0.708	S	S	*	*			trans	-47.5	148.9	180	-66.5	-97.5	0	0	0	118.3
140	G	23.5	Very low	26.6	Very low	66 Å²	66	126.3 Å²	126.3	68%	0.68	70%	0.701	S	S	*	*			trans	178.2	128	154.1	0	0	0	0	0	112.2
141	S	24.3	Very low	26.8	Very low	95 Å²	95	123.6 Å²	123.6	66%	0.664	68%	0.681	S	S	*	*			trans	40.3	128.6	157.1	53.7	0	0	0	0	122.1
142	E	24.5	Very low	27.1	Very low	165 Å²	165	119.4 Å²	119.4	77%	0.771	65%	0.653	S	S	*	*			trans	62.6	138.3	144	-72.1	103.8	-116.9	0	0	122.9
143	E	26.5	Very low	27.6	Very low	160 Å²	160	121.4 Å²	121.4	75%	0.748	65%	0.648	S	S	*	*			trans	31.9	101.8	144.1	-69.7	156.4	156.8	0	0	119.6
144	K	26.4	Very low	28.3	Very low	199 Å²	199	114.5 Å²	114.5	87%	0.865	62%	0.622	S	S	*	*			trans	-95.5	97.9	142.5	-85.3	-167.4	172.1	-174.7	0	109.2	V146	K144-V146 PolarHBondContact O-N 3.31Å
145	D	29.2	Very low	29.2	Very low	110 Å²	110	112.9 Å²	112.9	59%	0.588	60%	0.6	S	S	*	*			trans	-50.2	121.8	177.4	-73.4	-50	0	0	0	113.1	Y147	D145-Y147 HydrophobicContact CB-CD2 3.68Å; D145-Y147 HydrophobicContact CB-CE2 4.24Å; D145-Y147 HydrophobicContact CB-CG 4.48Å; D145-Y147 PolarHBondContact O-N 2.88Å; D145-Y147 WeakPolarHBondContact OD1-CE2 3.45Å
146	V	28.2	Very low	30.1	Very low	96 Å²	96	110.9 Å²	110.9	58%	0.582	58%	0.576	S	S	*	*			trans	-92.8	51.8	173.6	-174.2	0	0	0	0	108.2	K144 L151 Y211	K144-V146 PolarHBondContact O-N 3.31Å; V146-L151 HydrophobicContact CG1-CD1 3.59Å; V146-L151 HydrophobicContact CG1-CD2 3.75Å; V146-L151 HydrophobicContact CG1-CG 4.18Å; V146-Y211 PolarHBondContact O-OH 3.05Å
147	Y	29.7	Very low	31	Very low	84 Å²	84	110 Å²	110	33%	0.329	56%	0.564	S	S	.	*			trans	-110.6	104.3	179.5	-61.2	-49.5	0	0	0	110.8	D145 Y211 Y249	D145-Y147 HydrophobicContact CB-CD2 3.68Å; D145-Y147 HydrophobicContact CB-CE2 4.24Å; D145-Y147 HydrophobicContact CB-CG 4.48Å; D145-Y147 PolarHBondContact O-N 2.88Å; D145-Y147 WeakPolarHBondContact OD1-CE2 3.45Å; Y147-Y211 WeakPolarHBondContact CA-OH 3.49Å; Y147-Y211 HydrophobicContact CD1-CE2 4.32Å; Y147-Y249 HydrophobicContact CE1-CD1 4.22Å
148	G	32.8	Very low	32.2	Very low	17 Å²	17	100.8 Å²	100.8	18%	0.175	53%	0.53	C	S	.	.			trans	-170.2	135.7	179.5	0	0	0	0	0	112.2	N150 L151 Y211 D213	G148-N150 PolarHBondContact O-N 3.21Å; G148-L151 PolarHBondContact O-N 3.46Å; G148-Y211 PolarHBondContact N-OH 2.99Å; G148-Y211 PolarHBondContact O-OH 3.28Å; G148-D213 WeakPolarHBondContact CA-OD1 3.05Å; G148-D213 WeakPolarHBondContact CA-OD2 3.23Å; G148-D213 PolarHBondContact N-OD1 2.96Å
149	S	32.6	Very low	33.4	Very low	70 Å²	70	102.6 Å²	102.6	49%	0.49	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	19.5	176.5	42.5	0	0	0	0	117	D213	S149-D213 WeakPolarHBondContact CB-OD2 3.34Å; S149-D213 PolarHBondContact N-OD2 2.69Å; S149-D213 PolarHBondContact OG-OD2 2.65Å
150	N	31	Very low	34.6	Very low	122 Å²	122	93.4 Å²	93.4	65%	0.652	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135	7.2	-177.5	-71.3	-101.1	0	0	0	113.7	G148 D152	G148-N150 PolarHBondContact O-N 3.21Å; N150-D152 PolarHBondContact O-N 2.99Å
151	L	33.3	Very low	35.9	Very low	70 Å²	70	95.3 Å²	95.3	37%	0.366	47%	0.471	S	S	.	.			trans	-92.7	81.4	-169.6	-80	150	0	0	0	114.1	V146 G148	V146-L151 HydrophobicContact CG1-CD1 3.59Å; V146-L151 HydrophobicContact CG1-CD2 3.75Å; V146-L151 HydrophobicContact CG1-CG 4.18Å; G148-L151 PolarHBondContact O-N 3.46Å
152	D	36.5	Very low	37.2	Very low	50 Å²	50	93.9 Å²	93.9	27%	0.267	46%	0.459	S	S	.	.			trans	60.8	118.3	151.3	-56	-51.9	0	0	0	119.4	R26 N150 D154	R26-D152 IonicContact CZ-OD1 3.78Å; R26-D152 IonicContact NH1-OD1 2.64Å; R26-D152 PolarHBondContact NH1-OD1 3.02Å; R26-D152 IonicContact NH1-OD2 2.65Å; R26-D152 IonicContact NH2-OD1 3.18Å; R26-D152 PolarHBondContact NH2-OD1 2.69Å; N150-D152 PolarHBondContact O-N 2.99Å; D152-D154 HydrophobicContact CB-CB 3.99Å; D152-D154 PolarHBondContact O-N 3.21Å
153	E	35.6	Very low	38.2	Very low	127 Å²	127	86 Å²	86	59%	0.593	42%	0.422	S	S	*	.			trans	-74	9.6	157.3	-63.9	179	150.5	0	0	112.3	K41 W155	K41-E153 IonicContact NZ-OE1 3.49Å; K41-E153 PolarHBondContact NZ-OE1 2.64Å; K41-E153 IonicContact NZ-OE2 3.04Å; K41-E153 PolarHBondContact NZ-OE2 3.04Å; E153-W155 PolarHBondContact O-N 2.94Å
154	D	38.6	Very low	39	Very low	67 Å²	67	80.6 Å²	80.6	36%	0.358	40%	0.398	S	S	.	.			trans	-68.9	131.6	-172.9	-76.5	1.4	0	0	0	110.8	R26 D152 F156	R26-D154 IonicContact CZ-OD2 2.77Å; R26-D154 IonicContact NH1-OD1 3.33Å; R26-D154 IonicContact NH1-OD2 3.52Å; R26-D154 PolarHBondContact NH1-OD2 2.82Å; D152-D154 HydrophobicContact CB-CB 3.99Å; D152-D154 PolarHBondContact O-N 3.21Å; D154-F156 HydrophobicContact CB-CE2 4.32Å; D154-F156 HydrophobicContact CB-CZ 4.38Å; D154-F156 WeakPolarHBondContact O-CD2 3.37Å; D154-F156 WeakPolarHBondContact O-CE2 3.29Å; D154-F156 PolarHBondContact O-N 3.25Å; D154-F156 VanDerWaalsContact O-N 3.14Å
155	W	42.7	Very low	39.9	Very low	106 Å²	106	74 Å²	74	40%	0.402	38%	0.377	S	S	.	.			trans	-80.6	94.8	179.5	-73.9	89.4	0	0	0	110.7	W110 E153 L205 C206 A207	W110-W155 HydrophobicContact CH2-CE3 4.44Å; W110-W155 AromaticContact CH2-CH2 3.62Å; W110-W155 HydrophobicContact CH2-CH2 3.62Å; W110-W155 AromaticContact CH2-CZ2 3.89Å; W110-W155 HydrophobicContact CH2-CZ2 3.89Å; W110-W155 AromaticContact CH2-CZ3 3.92Å; W110-W155 HydrophobicContact CH2-CZ3 3.92Å; W110-W155 AromaticContact CZ2-CH2 3.33Å; W110-W155 HydrophobicContact CZ2-CH2 3.33Å; W110-W155 AromaticContact CZ2-CZ2 3.6Å; W110-W155 HydrophobicContact CZ2-CZ2 3.6Å; W110-W155 HydrophobicContact CZ2-CZ3 4.07Å; E153-W155 PolarHBondContact O-N 2.94Å; W155-L205 HydrophobicContact CB-CD2 4Å; W155-L205 HydrophobicContact CD2-CD2 4.37Å; W155-L205 HydrophobicContact CE3-CB 3.67Å; W155-L205 HydrophobicContact CE3-CD2 3.92Å; W155-L205 HydrophobicContact CE3-CG 4.33Å; W155-L205 HydrophobicContact CG-CD2 4.46Å; W155-L205 HydrophobicContact CZ3-CB 3.86Å; W155-C206 WeakPolarHBondContact CA-O 3.42Å; W155-A207 HydrophobicContact CD2-CB 4.15Å; W155-A207 HydrophobicContact CE3-CB 3.92Å; W155-A207 HydrophobicContact CH2-CB 3.62Å; W155-A207 HydrophobicContact CZ2-CB 3.83Å; W155-A207 HydrophobicContact CZ3-CB 3.67Å
156	F	41.3	Very low	40.5	Very low	76 Å²	76	71.6 Å²	71.6	33%	0.333	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	140.3	172.3	-60.6	-84.7	0	0	0	110.2	D154 F158 L205 C206 H208	D154-F156 HydrophobicContact CB-CE2 4.32Å; D154-F156 HydrophobicContact CB-CZ 4.38Å; D154-F156 WeakPolarHBondContact O-CD2 3.37Å; D154-F156 WeakPolarHBondContact O-CE2 3.29Å; D154-F156 PolarHBondContact O-N 3.25Å; D154-F156 VanDerWaalsContact O-N 3.14Å; F156-F158 HydrophobicContact CB-CD2 4.22Å; F156-F158 HydrophobicContact CB-CE2 3.44Å; F156-F158 VanDerWaalsContact CB-CE2 3.44Å; F156-F158 HydrophobicContact CB-CZ 3.66Å; F156-F158 HydrophobicContact CG-CE2 4.43Å; F156-F158 HydrophobicContact CG-CZ 4.28Å; F156-L205 WeakPolarHBondContact O-CA 3.3Å; F156-C206 HydrophobicContact CB-CB 4.09Å; F156-C206 PolarHBondContact N-O 2.04Å; F156-C206 PolarHBondContact O-N 2.96Å; F156-H208 AromaticContact CE2-CE1 3.84Å
157	M	44.1	Very low	41.1	Very low	117 Å²	117	69.2 Å²	69.2	58%	0.576	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	90.9	-174.7	-172.3	-179.1	65.8	0	0	110.3	H203 I204	M157-H203 HydrophobicContact CG-CB 3.91Å; M157-H203 HydrophobicContact SD-CB 4.19Å; M157-I204 WeakPolarHBondContact CA-O 3.26Å
158	F	48.4	Very low	41.4	Very low	30 Å²	30	70.9 Å²	70.9	13%	0.132	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	150.5	-176.6	-53.2	-89.1	0	0	0	112.2	F156 Y163 F172 H203 I204 C206	F156-F158 HydrophobicContact CB-CD2 4.22Å; F156-F158 HydrophobicContact CB-CE2 3.44Å; F156-F158 VanDerWaalsContact CB-CE2 3.44Å; F156-F158 HydrophobicContact CB-CZ 3.66Å; F156-F158 HydrophobicContact CG-CE2 4.43Å; F156-F158 HydrophobicContact CG-CZ 4.28Å; F158-Y163 HydrophobicContact CB-CD2 3.75Å; F158-Y163 HydrophobicContact CB-CG 4.05Å; F158-Y163 HydrophobicContact CD1-CD2 4.08Å; F158-Y163 AromaticContact CD2-CD2 3.33Å; F158-Y163 HydrophobicContact CD2-CD2 3.33Å; F158-Y163 AromaticContact CD2-CE2 3.53Å; F158-Y163 HydrophobicContact CD2-CE2 3.53Å; F158-Y163 HydrophobicContact CD2-CG 4.35Å; F158-Y163 AromaticContact CE2-CD2 3.84Å; F158-Y163 HydrophobicContact CE2-CD2 3.84Å; F158-Y163 AromaticContact CE2-CE2 3.71Å; F158-Y163 HydrophobicContact CE2-CE2 3.71Å; F158-Y163 AromaticContact CG-CD2 3.46Å; F158-Y163 HydrophobicContact CG-CD2 3.46Å; F158-Y163 VanDerWaalsContact CG-CD2 3.46Å; F158-Y163 HydrophobicContact CG-CE2 4.16Å; F158-Y163 HydrophobicContact CG-CG 4.26Å; F158-Y163 HydrophobicContact CZ-CD2 4.41Å; F158-Y163 HydrophobicContact CZ-CE2 4.46Å; F158-F172 HydrophobicContact CE1-CZ 4.32Å; F158-F172 HydrophobicContact CE2-CD1 4.44Å; F158-F172 HydrophobicContact CE2-CE1 4.11Å; F158-F172 HydrophobicContact CE2-CZ 4.34Å; F158-F172 HydrophobicContact CZ-CD1 4.42Å; F158-F172 AromaticContact CZ-CE1 3.72Å; F158-F172 HydrophobicContact CZ-CE1 3.72Å; F158-F172 HydrophobicContact CZ-CE2 4.13Å; F158-F172 AromaticContact CZ-CZ 3.56Å; F158-F172 HydrophobicContact CZ-CZ 3.56Å; F158-H203 CarbonylContact O-C 3.59Å; F158-H203 VanDerWaalsContact O-CA 3.3Å; F158-H203 WeakPolarHBondContact O-CA 3.01Å; F158-I204 PolarHBondContact N-O 3.45Å; F158-I204 PolarHBondContact O-N 3.1Å; F158-C206 HydrophobicContact CE2-CB 3.91Å
159	R	49.3	Very low	41.9	Very low	133 Å²	133	75.4 Å²	75.4	50%	0.502	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137.3	160.8	-55.1	-175.9	-165.1	-176.4	5.4	108.8	H161 V162 Y163 L202	R159-H161 PolarHBondContact O-N 3.25Å; R159-V162 HydrophobicContact CB-CG2 4.31Å; R159-V162 WeakPolarHBondContact O-CB 3.43Å; R159-V162 PolarHBondContact O-N 2.88Å; R159-Y163 PolarHBondContact O-N 3.49Å; R159-L202 WeakPolarHBondContact CA-O 3.03Å
160	S	47.8	Very low	42.1	Very low	1 Å²	1	73.6 Å²	73.6	1%	0.007	37%	0.37	C	S	.	.	H	α-helix	trans	-32.3	-61.3	174.3	35.4	0	0	0	0	115.3	V162 Y163 D164 L196 E199 L202	S160-V162 PolarHBondContact O-N 3.45Å; S160-V162 VanDerWaalsContact O-N 3.17Å; S160-Y163 PolarHBondContact O-N 2.94Å; S160-D164 PolarHBondContact O-N 2.76Å; S160-L196 VanDerWaalsContact CB-O 3.28Å; S160-L196 WeakPolarHBondContact CB-O 3.36Å; S160-E199 VanDerWaalsContact CB-O 3.27Å; S160-E199 WeakPolarHBondContact CB-O 3.22Å; S160-E199 PolarHBondContact OG-O 2.76Å; S160-L202 PolarHBondContact N-O 3.36Å
161	H	52.2	Low	42.5	Very low	106 Å²	106	73.1 Å²	73.1	49%	0.491	36%	0.361	S	S	.	.	H	α-helix	trans	-67	-13.6	-175.2	56.8	-101.2	0	0	0	114.7	R159	R159-H161 PolarHBondContact O-N 3.25Å
162	V	51.5	Low	43	Very low	66 Å²	66	70.9 Å²	70.9	40%	0.4	35%	0.349	S	S	.	.	H	α-helix	trans	-91.4	-39.3	170.7	-174.6	0	0	0	0	110.1	R159 S160 S165	R159-V162 HydrophobicContact CB-CG2 4.31Å; R159-V162 WeakPolarHBondContact O-CB 3.43Å; R159-V162 PolarHBondContact O-N 2.88Å; S160-V162 PolarHBondContact O-N 3.45Å; S160-V162 VanDerWaalsContact O-N 3.17Å; V162-S165 PolarHBondContact O-OG 2.73Å
163	Y	44.9	Very low	43.1	Very low	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-69.4	-33.2	-172.2	-172.2	-116.8	0	0	0	114.4	F158 R159 S160 S165 Q166 L167 F172 I177 L196 I204 C206	F158-Y163 HydrophobicContact CB-CD2 3.75Å; F158-Y163 HydrophobicContact CB-CG 4.05Å; F158-Y163 HydrophobicContact CD1-CD2 4.08Å; F158-Y163 AromaticContact CD2-CD2 3.33Å; F158-Y163 HydrophobicContact CD2-CD2 3.33Å; F158-Y163 AromaticContact CD2-CE2 3.53Å; F158-Y163 HydrophobicContact CD2-CE2 3.53Å; F158-Y163 HydrophobicContact CD2-CG 4.35Å; F158-Y163 AromaticContact CE2-CD2 3.84Å; F158-Y163 HydrophobicContact CE2-CD2 3.84Å; F158-Y163 AromaticContact CE2-CE2 3.71Å; F158-Y163 HydrophobicContact CE2-CE2 3.71Å; F158-Y163 AromaticContact CG-CD2 3.46Å; F158-Y163 HydrophobicContact CG-CD2 3.46Å; F158-Y163 VanDerWaalsContact CG-CD2 3.46Å; F158-Y163 HydrophobicContact CG-CE2 4.16Å; F158-Y163 HydrophobicContact CG-CG 4.26Å; F158-Y163 HydrophobicContact CZ-CD2 4.41Å; F158-Y163 HydrophobicContact CZ-CE2 4.46Å; R159-Y163 PolarHBondContact O-N 3.49Å; S160-Y163 PolarHBondContact O-N 2.94Å; Y163-S165 VanDerWaalsContact C-N 3.26Å; Y163-S165 PolarHBondContact O-N 3.34Å; Y163-Q166 PolarHBondContact O-N 2.77Å; Y163-L167 HydrophobicContact CD1-CD1 3.81Å; Y163-L167 HydrophobicContact CD1-CG 4.04Å; Y163-L167 HydrophobicContact CE1-CD1 3.25Å; Y163-L167 HydrophobicContact CE1-CD2 4.39Å; Y163-L167 HydrophobicContact CE1-CG 3.47Å; Y163-L167 VanDerWaalsContact CE1-CG 3.47Å; Y163-L167 HydrophobicContact CE2-CG 4.44Å; Y163-L167 PolarHBondContact O-N 3.2Å; Y163-F172 HydrophobicContact CE2-CB 4.26Å; Y163-F172 HydrophobicContact CE2-CD2 4.41Å; Y163-F172 HydrophobicContact CE2-CG 4.19Å; Y163-I177 HydrophobicContact CE1-CD1 4.45Å; Y163-L196 HydrophobicContact CD1-CD2 4.19Å; Y163-I204 HydrophobicContact CD1-CD1 3.2Å; Y163-I204 HydrophobicContact CD1-CG1 4.44Å; Y163-I204 HydrophobicContact CD1-CG2 4.23Å; Y163-I204 HydrophobicContact CE1-CD1 3.82Å; Y163-I204 HydrophobicContact CE1-CG2 3.8Å; Y163-I204 HydrophobicContact CE2-CG2 4.38Å; Y163-I204 HydrophobicContact CG-CD1 3.59Å; Y163-C206 PolarHBondContact OH-SG 2.83Å
164	D	42.5	Very low	43.3	Very low	46 Å²	46	70.3 Å²	70.3	25%	0.246	35%	0.349	C	S	.	.	H	α-helix	trans	-54.8	-42	179.1	-179.9	71.8	0	0	0	112.2	S160 Q166 L167 N168	S160-D164 PolarHBondContact O-N 2.76Å; D164-Q166 PolarHBondContact O-N 2.66Å; D164-L167 PolarHBondContact O-N 3.2Å; D164-N168 WeakPolarHBondContact O-CB 3.32Å; D164-N168 PolarHBondContact O-N 3.4Å; D164-N168 VanDerWaalsContact O-N 3.09Å; D164-N168 PolarHBondContact O-ND2 2.95Å; D164-N168 PolarHBondContact OD1-ND2 3.37Å; D164-N168 PolarHBondContact OD2-ND2 2.72Å
165	S	46.4	Very low	43.4	Very low	61 Å²	61	68.1 Å²	68.1	43%	0.427	34%	0.339	S	S	.	.	H	α-helix	trans	-56.2	-36.4	174.9	69.1	0	0	0	0	113.2	V162 Y163 E169	V162-S165 PolarHBondContact O-OG 2.73Å; Y163-S165 VanDerWaalsContact C-N 3.26Å; Y163-S165 PolarHBondContact O-N 3.34Å; S165-E169 VanDerWaalsContact O-CG 3.22Å; S165-E169 WeakPolarHBondContact O-CG 3.34Å; S165-E169 PolarHBondContact O-N 2.98Å
166	Q	41.7	Very low	43.4	Very low	58 Å²	58	67.3 Å²	67.3	27%	0.271	35%	0.346	S	S	.	.	H	α-helix	trans	-93	-24.2	-173.1	-55.3	-168.2	-9.6	0	0	113.4	Y163 D164 K171 F172	Y163-Q166 PolarHBondContact O-N 2.77Å; D164-Q166 PolarHBondContact O-N 2.66Å; Q166-K171 PolarHBondContact O-N 3.06Å; Q166-F172 HydrophobicContact CB-CD2 3.83Å; Q166-F172 HydrophobicContact CB-CE2 3.73Å
167	L	40.6	Very low	43.6	Very low	46 Å²	46	66.2 Å²	66.2	24%	0.241	34%	0.342	C	S	.	.	H	α-helix	trans	-70	-44	168.3	-102.8	-174.8	0	0	0	111.5	Y163 D164 E169 G170 F172 I177	Y163-L167 HydrophobicContact CD1-CD1 3.81Å; Y163-L167 HydrophobicContact CD1-CG 4.04Å; Y163-L167 HydrophobicContact CE1-CD1 3.25Å; Y163-L167 HydrophobicContact CE1-CD2 4.39Å; Y163-L167 HydrophobicContact CE1-CG 3.47Å; Y163-L167 VanDerWaalsContact CE1-CG 3.47Å; Y163-L167 HydrophobicContact CE2-CG 4.44Å; Y163-L167 PolarHBondContact O-N 3.2Å; D164-L167 PolarHBondContact O-N 3.2Å; L167-E169 VanDerWaalsContact C-N 3.26Å; L167-E169 PolarHBondContact O-N 3.28Å; L167-G170 WeakPolarHBondContact O-CA 3.42Å; L167-G170 PolarHBondContact O-N 3.22Å; L167-F172 HydrophobicContact CD2-CB 4.19Å; L167-I177 HydrophobicContact CD1-CD1 4.42Å
168	N	36.4	Very low	43.7	Very low	120 Å²	120	61 Å²	61	64%	0.642	32%	0.318	S	S	*	.	H	α-helix	trans	-71	-22.8	-179.1	-67.1	-38.7	0	0	0	112.4	D164 G170	D164-N168 WeakPolarHBondContact O-CB 3.32Å; D164-N168 PolarHBondContact O-N 3.4Å; D164-N168 VanDerWaalsContact O-N 3.09Å; D164-N168 PolarHBondContact O-ND2 2.95Å; D164-N168 PolarHBondContact OD1-ND2 3.37Å; D164-N168 PolarHBondContact OD2-ND2 2.72Å; N168-G170 PolarHBondContact O-N 3.05Å
169	E	43.6	Very low	43.7	Very low	112 Å²	112	61.7 Å²	61.7	52%	0.523	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	2.2	165.6	-73.6	175.9	166.5	0	0	114	S165 L167 K171	S165-E169 VanDerWaalsContact O-CG 3.22Å; S165-E169 WeakPolarHBondContact O-CG 3.34Å; S165-E169 PolarHBondContact O-N 2.98Å; L167-E169 VanDerWaalsContact C-N 3.26Å; L167-E169 PolarHBondContact O-N 3.28Å; E169-K171 VanDerWaalsContact C-N 3.29Å; E169-K171 HydrophobicContact CB-CD 4.14Å; E169-K171 HydrophobicContact CB-CG 4.34Å; E169-K171 PolarHBondContact O-N 3.21Å; E169-K171 WeakPolarHBondContact OE2-CE 3.49Å; E169-K171 IonicContact OE2-NZ 3.93Å; E169-K171 PolarHBondContact OE2-NZ 3.25Å
170	G	36	Very low	43.7	Very low	32 Å²	32	57 Å²	57	33%	0.33	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	7.4	175.1	0	0	0	0	0	115.8	L167 N168 F172 Y249	L167-G170 WeakPolarHBondContact O-CA 3.42Å; L167-G170 PolarHBondContact O-N 3.22Å; N168-G170 PolarHBondContact O-N 3.05Å; G170-F172 VanDerWaalsContact C-N 3.28Å; G170-F172 PolarHBondContact O-N 2.6Å; G170-Y249 WeakPolarHBondContact O-CE1 3.18Å; G170-Y249 PolarHBondContact O-OH 2.75Å
171	K	39.5	Very low	43.7	Very low	111 Å²	111	59.1 Å²	59.1	48%	0.483	32%	0.321	S	S	.	.			trans	-73.7	-14	-170.2	-69.4	167.7	180	167.8	0	114.6	Q166 E169	Q166-K171 PolarHBondContact O-N 3.06Å; E169-K171 VanDerWaalsContact C-N 3.29Å; E169-K171 HydrophobicContact CB-CD 4.14Å; E169-K171 HydrophobicContact CB-CG 4.34Å; E169-K171 PolarHBondContact O-N 3.21Å; E169-K171 WeakPolarHBondContact OE2-CE 3.49Å; E169-K171 IonicContact OE2-NZ 3.93Å; E169-K171 PolarHBondContact OE2-NZ 3.25Å
172	F	44	Very low	43.5	Very low	24 Å²	24	61.2 Å²	61.2	11%	0.105	34%	0.336	C	S	.	.			trans	-131.9	54.1	-167	-68.4	-77.7	0	0	0	114.7	F158 Y163 Q166 L167 G170 K174 C206 H208	F158-F172 HydrophobicContact CE1-CZ 4.32Å; F158-F172 HydrophobicContact CE2-CD1 4.44Å; F158-F172 HydrophobicContact CE2-CE1 4.11Å; F158-F172 HydrophobicContact CE2-CZ 4.34Å; F158-F172 HydrophobicContact CZ-CD1 4.42Å; F158-F172 AromaticContact CZ-CE1 3.72Å; F158-F172 HydrophobicContact CZ-CE1 3.72Å; F158-F172 HydrophobicContact CZ-CE2 4.13Å; F158-F172 AromaticContact CZ-CZ 3.56Å; F158-F172 HydrophobicContact CZ-CZ 3.56Å; Y163-F172 HydrophobicContact CE2-CB 4.26Å; Y163-F172 HydrophobicContact CE2-CD2 4.41Å; Y163-F172 HydrophobicContact CE2-CG 4.19Å; Q166-F172 HydrophobicContact CB-CD2 3.83Å; Q166-F172 HydrophobicContact CB-CE2 3.73Å; L167-F172 HydrophobicContact CD2-CB 4.19Å; G170-F172 VanDerWaalsContact C-N 3.28Å; G170-F172 PolarHBondContact O-N 2.6Å; F172-K174 PolarHBondContact O-N 3.2Å; F172-C206 HydrophobicContact CD1-CB 4.45Å; F172-C206 VanDerWaalsContact CD1-SG 3.52Å; F172-H208 AromaticContact CD1-NE2 3.26Å; F172-H208 VanDerWaalsContact CD1-NE2 3.26Å; F172-H208 WeakPolarHBondContact CD1-NE2 3.28Å; F172-H208 AromaticContact CE1-CE1 3.81Å; F172-H208 AromaticContact CE1-NE2 3.29Å; F172-H208 VanDerWaalsContact CE1-NE2 3.29Å; F172-H208 WeakPolarHBondContact CE1-NE2 3.36Å
173	P	38.9	Very low	43	Very low	67 Å²	67	67.5 Å²	67.5	44%	0.435	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-31.8	-166	29	-40.9	0	0	0	116.8	Y249	P173-Y249 HydrophobicContact CB-CE1 4.42Å; P173-Y249 HydrophobicContact CB-CE2 3.95Å; P173-Y249 WeakPolarHBondContact CB-OH 3.44Å; P173-Y249 HydrophobicContact CG-CD1 4.32Å; P173-Y249 HydrophobicContact CG-CD2 4.35Å; P173-Y249 HydrophobicContact CG-CE1 3.68Å; P173-Y249 HydrophobicContact CG-CE2 3.71Å
174	K	39.4	Very low	43	Very low	98 Å²	98	73.9 Å²	73.9	43%	0.426	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	17.7	-170.3	-53.5	-167.7	-137.9	162.4	0	112.6	F172 S209 E246	F172-K174 PolarHBondContact O-N 3.2Å; K174-S209 WeakPolarHBondContact CD-OG 3.14Å; K174-S209 VanDerWaalsContact CE-OG 3.24Å; K174-S209 WeakPolarHBondContact CE-OG 3.31Å; K174-S209 PolarHBondContact NZ-OG 2.77Å; K174-E246 IonicContact NZ-OE2 3.86Å; K174-E246 PolarHBondContact NZ-OE2 3.08Å; K174-E246 VanDerWaalsContact NZ-OE2 3.08Å
175	C	40.3	Very low	43.3	Very low	21 Å²	21	74.7 Å²	74.7	14%	0.142	40%	0.399	C	S	.	.			trans	-68.6	137.6	176.8	-69	0	0	0	0	112.8	I177 C206	C175-I177 PolarHBondContact O-N 3.29Å; C175-C206 HydrophobicContact CB-CB 4Å; C175-C206 WeakPolarHBondContact CB-SG 3.27Å; C175-C206 VanDerWaalsContact SG-CA 3.54Å; C175-C206 WeakPolarHBondContact SG-CB 3.49Å; C175-C206 CovalentContact SG-SG 2.04Å; C175-C206 PolarHBondContact SG-SG 2.8Å
176	T	41.8	Very low	43.4	Very low	89 Å²	89	75.9 Å²	75.9	55%	0.546	40%	0.396	S	S	.	.			trans	-91.2	93.9	173.9	-61.2	0	0	0	0	109.3	V178	T176-V178 HydrophobicContact CG2-CG2 4.33Å; T176-V178 PolarHBondContact O-N 2.97Å
177	I	45.4	Very low	43.7	Very low	52 Å²	52	77.1 Å²	77.1	27%	0.267	41%	0.411	S	S	.	.			trans	-62.1	103.8	-178.4	-57	177.1	0	0	0	110.2	Y163 L167 C175 I204	Y163-I177 HydrophobicContact CE1-CD1 4.45Å; L167-I177 HydrophobicContact CD1-CD1 4.42Å; C175-I177 PolarHBondContact O-N 3.29Å; I177-I204 HydrophobicContact CG1-CG2 4.3Å; I177-I204 HydrophobicContact CG2-CG2 4.17Å
178	V	47.3	Very low	43.7	Very low	9 Å²	9	82 Å²	82	6%	0.055	44%	0.438	C	S	.	.			trans	-103.6	127.2	169.5	179.4	0	0	0	0	108.2	T176 V180 A185 L205	T176-V178 HydrophobicContact CG2-CG2 4.33Å; T176-V178 PolarHBondContact O-N 2.97Å; V178-V180 HydrophobicContact CG1-CG2 4.05Å; V178-V180 PolarHBondContact O-N 2.72Å; V178-A185 HydrophobicContact CG1-CB 3.99Å; V178-L205 HydrophobicContact CB-CB 4.32Å; V178-L205 HydrophobicContact CB-CD1 4.29Å; V178-L205 HydrophobicContact CG1-CD1 4.43Å
179	K	48	Very low	44.1	Very low	44 Å²	44	81.3 Å²	81.3	19%	0.191	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	111.9	170.8	170.1	166.1	-163.9	173.4	0	109.3	A185 F186 I191 E199 L202	K179-A185 CarbonylContact O-C 3.56Å; K179-A185 WeakPolarHBondContact O-CA 3.48Å; K179-F186 HydrophobicContact CB-CB 4.23Å; K179-F186 HydrophobicContact CD-CD2 4.44Å; K179-F186 HydrophobicContact CG-CD2 4.04Å; K179-F186 PolarHBondContact N-O 3.43Å; K179-F186 PolarHBondContact O-N 2.62Å; K179-I191 HydrophobicContact CB-CD1 4.12Å; K179-I191 HydrophobicContact CD-CD1 4.16Å; K179-E199 IonicContact NZ-OE1 2.77Å; K179-E199 PolarHBondContact NZ-OE1 3.49Å; K179-E199 IonicContact NZ-OE2 3.74Å; K179-E199 PolarHBondContact NZ-OE2 3.41Å; K179-L202 HydrophobicContact CB-CD1 3.75Å; K179-L202 HydrophobicContact CD-CD1 3.45Å; K179-L202 VanDerWaalsContact CD-CD1 3.45Å; K179-L202 HydrophobicContact CG-CD1 3.41Å; K179-L202 VanDerWaalsContact CG-CD1 3.41Å; K179-L202 HydrophobicContact CG-CG 4.47Å
180	V	49.2	Very low	44	Very low	33 Å²	33	82.5 Å²	82.5	20%	0.2	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.5	171.4	-164.7	0	0	0	0	111.3	V178 A185 H203 L205	V178-V180 HydrophobicContact CG1-CG2 4.05Å; V178-V180 PolarHBondContact O-N 2.72Å; V180-A185 HydrophobicContact CG1-CB 4.33Å; V180-A185 HydrophobicContact CG2-CB 4.07Å; V180-H203 HydrophobicContact CB-CB 3.98Å; V180-H203 PolarHBondContact N-O 2.8Å; V180-H203 VanDerWaalsContact N-O 3.1Å; V180-H203 PolarHBondContact O-N 3.36Å; V180-L205 HydrophobicContact CG2-CD1 3.6Å; V180-L205 HydrophobicContact CG2-CG 4.12Å
181	S	48.9	Very low	44.5	Very low	46 Å²	46	81.6 Å²	81.6	32%	0.322	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	163.1	172.8	65.3	0	0	0	0	109.2	K183 K184	S181-K183 PolarHBondContact O-N 3.24Å; S181-K184 PolarHBondContact N-O 2.77Å; S181-K184 PolarHBondContact O-N 3.44Å; S181-K184 PolarHBondContact OG-N 3.4Å; S181-K184 PolarHBondContact OG-O 2.87Å
182	D	46.9	Very low	44.5	Very low	150 Å²	150	79.3 Å²	79.3	80%	0.802	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-18.6	-179.3	-66.2	-38.8	0	0	0	115.6
183	K	41.2	Very low	44.4	Very low	198 Å²	198	82.2 Å²	82.2	86%	0.861	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-20.7	-174.9	-61.7	177.4	-176	173.4	0	114.1	S181	S181-K183 PolarHBondContact O-N 3.24Å
184	K	45.1	Very low	44.7	Very low	135 Å²	135	82.3 Å²	82.3	59%	0.587	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.8	140.1	-174.5	-67.6	-170.1	179.4	-178.4	0	112.1	S181 F186	S181-K184 PolarHBondContact N-O 2.77Å; S181-K184 PolarHBondContact O-N 3.44Å; S181-K184 PolarHBondContact OG-N 3.4Å; S181-K184 PolarHBondContact OG-O 2.87Å; K184-F186 HydrophobicContact CB-CD2 4.29Å; K184-F186 HydrophobicContact CB-CE1 4.48Å; K184-F186 HydrophobicContact CB-CE2 3.8Å; K184-F186 HydrophobicContact CB-CZ 3.91Å; K184-F186 HydrophobicContact CD-CE1 4.23Å; K184-F186 HydrophobicContact CD-CZ 4.13Å
185	A	48.9	Very low	45.1	Very low	63 Å²	63	81.7 Å²	81.7	52%	0.521	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	141.3	153	0	0	0	0	0	109.4	V178 K179 V180	V178-A185 HydrophobicContact CG1-CB 3.99Å; K179-A185 CarbonylContact O-C 3.56Å; K179-A185 WeakPolarHBondContact O-CA 3.48Å; V180-A185 HydrophobicContact CG1-CB 4.33Å; V180-A185 HydrophobicContact CG2-CB 4.07Å
186	F	48.9	Very low	45.6	Very low	86 Å²	86	80.9 Å²	80.9	38%	0.377	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	90	176.1	-56.7	-98.4	0	0	0	107.9	K179 K184 D188	K179-F186 HydrophobicContact CB-CB 4.23Å; K179-F186 HydrophobicContact CD-CD2 4.44Å; K179-F186 HydrophobicContact CG-CD2 4.04Å; K179-F186 PolarHBondContact N-O 3.43Å; K179-F186 PolarHBondContact O-N 2.62Å; K184-F186 HydrophobicContact CB-CD2 4.29Å; K184-F186 HydrophobicContact CB-CE1 4.48Å; K184-F186 HydrophobicContact CB-CE2 3.8Å; K184-F186 HydrophobicContact CB-CZ 3.91Å; K184-F186 HydrophobicContact CD-CE1 4.23Å; K184-F186 HydrophobicContact CD-CZ 4.13Å; F186-D188 PolarHBondContact O-N 3.41Å
187	S	47.4	Very low	45.8	Very low	83 Å²	83	82.7 Å²	82.7	58%	0.58	45%	0.451	S	S	*	.	S	Bend	trans	-72	-18.1	176.4	41.2	0	0	0	0	113.6
188	D	41.6	Very low	46.3	Very low	150 Å²	150	87.3 Å²	87.3	80%	0.802	47%	0.47	S	S	*	.	S	Bend	trans	-102.9	-3	-159.9	-41.5	-29.2	0	0	0	112.8	F186	F186-D188 PolarHBondContact O-N 3.41Å
189	K	43.1	Very low	46.5	Very low	105 Å²	105	88.8 Å²	88.8	46%	0.457	48%	0.476	S	S	.	.			trans	-107.1	102.7	-179.4	-166.7	-166.8	177.7	-156	0	110	I191 E199	K189-I191 HydrophobicContact CD-CG1 4.42Å; K189-I191 PolarHBondContact O-N 3.25Å; K189-E199 IonicContact NZ-OE1 3.15Å
190	V	42.6	Very low	46.6	Very low	136 Å²	136	92.5 Å²	92.5	82%	0.824	50%	0.498	S	S	*	.			trans	-62.8	127	165.4	-178.6	0	0	0	0	108.5
191	I	46.7	Very low	46.7	Very low	13 Å²	13	96 Å²	96	7%	0.067	52%	0.515	C	S	.	.			trans	-110.2	120.7	175.9	-60.7	174.7	0	0	0	107.2	K179 K189 E195 L196 L202	K179-I191 HydrophobicContact CB-CD1 4.12Å; K179-I191 HydrophobicContact CD-CD1 4.16Å; K189-I191 HydrophobicContact CD-CG1 4.42Å; K189-I191 PolarHBondContact O-N 3.25Å; I191-E195 HydrophobicContact CG2-CB 3.9Å; I191-L196 HydrophobicContact CG2-CD1 4.02Å; I191-L196 HydrophobicContact CG2-CG 4.18Å; I191-L202 HydrophobicContact CD1-CD1 3.69Å; I191-L202 HydrophobicContact CD1-CD2 4.26Å
192	P	39.9	Very low	46.6	Very low	64 Å²	64	93.8 Å²	93.8	42%	0.416	50%	0.5	S	S	.	.			trans	-60.3	145.5	173	-23	34.2	0	0	0	111.5	A194 E195	P192-A194 VanDerWaalsContact C-N 3.26Å; P192-A194 PolarHBondContact O-N 2.02Å; P192-E195 HydrophobicContact CB-CG 4.41Å; P192-E195 HydrophobicContact CG-CG 4.42Å; P192-E195 WeakPolarHBondContact O-CA 3.32Å; P192-E195 WeakPolarHBondContact O-CB 3.39Å; P192-E195 PolarHBondContact O-N 2.85Å
193	C	42	Very low	46.7	Very low	84 Å²	84	88.4 Å²	88.4	57%	0.568	47%	0.47	S	S	*	.	H	α-helix	trans	-53.2	-43.6	-178.6	-53.2	0	0	0	0	112.3	E195 L196	C193-E195 PolarHBondContact O-N 2.85Å; C193-L196 PolarHBondContact O-N 3.09Å
194	A	43.5	Very low	47	Very low	69 Å²	69	79 Å²	79	57%	0.57	43%	0.429	S	S	*	.	H	α-helix	trans	-69.2	6.1	175.8	0	0	0	0	0	115.6	P192 K198	P192-A194 VanDerWaalsContact C-N 3.26Å; P192-A194 PolarHBondContact O-N 2.02Å; A194-K198 PolarHBondContact O-NZ 2.93Å
195	E	48.6	Very low	46.9	Very low	85 Å²	85	73.9 Å²	73.9	40%	0.397	41%	0.408	S	S	.	.	H	α-helix	trans	-111.9	-14.5	169.6	-69.4	180	-151.6	0	0	113	I191 P192 C193 E197 K198	I191-E195 HydrophobicContact CG2-CB 3.9Å; P192-E195 HydrophobicContact CB-CG 4.41Å; P192-E195 HydrophobicContact CG-CG 4.42Å; P192-E195 WeakPolarHBondContact O-CA 3.32Å; P192-E195 WeakPolarHBondContact O-CB 3.39Å; P192-E195 PolarHBondContact O-N 2.85Å; C193-E195 PolarHBondContact O-N 2.85Å; E195-E197 PolarHBondContact O-N 2.97Å; E195-K198 PolarHBondContact O-N 3.36Å; E195-K198 VanDerWaalsContact O-N 3.12Å
196	L	50.4	Low	46.5	Very low	4 Å²	4	70.9 Å²	70.9	2%	0.021	38%	0.383	C	S	.	.	H	α-helix	trans	-63.7	-38.1	179.5	-89.2	106.8	0	0	0	112.8	S160 Y163 I191 C193 K198 E199 L202 I204	S160-L196 VanDerWaalsContact CB-O 3.28Å; S160-L196 WeakPolarHBondContact CB-O 3.36Å; Y163-L196 HydrophobicContact CD1-CD2 4.19Å; I191-L196 HydrophobicContact CG2-CD1 4.02Å; I191-L196 HydrophobicContact CG2-CG 4.18Å; C193-L196 PolarHBondContact O-N 3.09Å; L196-K198 PolarHBondContact O-N 3.41Å; L196-K198 VanDerWaalsContact O-N 3.09Å; L196-E199 PolarHBondContact O-N 3.35Å; L196-L202 HydrophobicContact CD2-CD2 3.63Å; L196-L202 HydrophobicContact CG-CD2 3.98Å; L196-I204 HydrophobicContact CD2-CD1 3.44Å; L196-I204 VanDerWaalsContact CD2-CD1 3.44Å; L196-I204 HydrophobicContact CD2-CG1 4.42Å
197	E	46.1	Very low	46.1	Very low	127 Å²	127	68 Å²	68	59%	0.593	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-28	173.6	-64.6	174.1	-169	0	0	113.6	E195	E195-E197 PolarHBondContact O-N 2.97Å
198	K	55.6	Low	46	Very low	150 Å²	150	67 Å²	67	65%	0.652	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-10.9	-170.7	-61.4	163.5	-172.8	145.3	0	112.9	A194 E195 L196	A194-K198 PolarHBondContact O-NZ 2.93Å; E195-K198 PolarHBondContact O-N 3.36Å; E195-K198 VanDerWaalsContact O-N 3.12Å; L196-K198 PolarHBondContact O-N 3.41Å; L196-K198 VanDerWaalsContact O-N 3.09Å
199	E	52	Low	46.1	Very low	39 Å²	39	62 Å²	62	18%	0.182	34%	0.338	C	S	.	.			trans	-98	94.3	-176.2	-74.3	-90.3	-137	0	0	110.2	S160 K179 K189 L196 L202	S160-E199 VanDerWaalsContact CB-O 3.27Å; S160-E199 WeakPolarHBondContact CB-O 3.22Å; S160-E199 PolarHBondContact OG-O 2.76Å; K179-E199 IonicContact NZ-OE1 2.77Å; K179-E199 PolarHBondContact NZ-OE1 3.49Å; K179-E199 IonicContact NZ-OE2 3.74Å; K179-E199 PolarHBondContact NZ-OE2 3.41Å; K189-E199 IonicContact NZ-OE1 3.15Å; L196-E199 PolarHBondContact O-N 3.35Å; E199-L202 HydrophobicContact CB-CB 4.09Å; E199-L202 HydrophobicContact CB-CD1 3.85Å; E199-L202 HydrophobicContact CB-CD2 4.45Å; E199-L202 HydrophobicContact CB-CG 4.37Å; E199-L202 HydrophobicContact CG-CD1 4.26Å; E199-L202 WeakPolarHBondContact O-CB 3.32Å
200	N	51.1	Low	46.3	Very low	123 Å²	123	62.7 Å²	62.7	66%	0.658	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	150.1	170.9	-75.4	-26.8	0	0	0	111.5	L202	N200-L202 PolarHBondContact O-N 3.17Å
201	D	50.2	Low	46.8	Very low	106 Å²	106	57.8 Å²	57.8	57%	0.567	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	20.1	-179.8	-53.8	-46.1	0	0	0	115.6	H203	D201-H203 PolarHBondContact O-N 3.08Å; D201-H203 PolarHBondContact O-ND1 3.31Å
202	L	47.4	Very low	47.5	Very low	0 Å²	0	61 Å²	61	0%	0	34%	0.336	C	S	.	.			trans	-65.9	101.1	169.5	-157.8	88	0	0	0	109	R159 S160 K179 I191 L196 E199 N200 I204	R159-L202 WeakPolarHBondContact CA-O 3.03Å; S160-L202 PolarHBondContact N-O 3.36Å; K179-L202 HydrophobicContact CB-CD1 3.75Å; K179-L202 HydrophobicContact CD-CD1 3.45Å; K179-L202 VanDerWaalsContact CD-CD1 3.45Å; K179-L202 HydrophobicContact CG-CD1 3.41Å; K179-L202 VanDerWaalsContact CG-CD1 3.41Å; K179-L202 HydrophobicContact CG-CG 4.47Å; I191-L202 HydrophobicContact CD1-CD1 3.69Å; I191-L202 HydrophobicContact CD1-CD2 4.26Å; L196-L202 HydrophobicContact CD2-CD2 3.63Å; L196-L202 HydrophobicContact CG-CD2 3.98Å; E199-L202 HydrophobicContact CB-CB 4.09Å; E199-L202 HydrophobicContact CB-CD1 3.85Å; E199-L202 HydrophobicContact CB-CD2 4.45Å; E199-L202 HydrophobicContact CB-CG 4.37Å; E199-L202 HydrophobicContact CG-CD1 4.26Å; E199-L202 WeakPolarHBondContact O-CB 3.32Å; N200-L202 PolarHBondContact O-N 3.17Å; L202-I204 HydrophobicContact CD2-CD1 3.92Å; L202-I204 HydrophobicContact CD2-CG1 3.77Å; L202-I204 HydrophobicContact CG-CG1 4.16Å
203	H	49.5	Very low	49	Very low	37 Å²	37	59 Å²	59	17%	0.171	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	116.1	171.9	-69	77	0	0	0	108.7	M157 F158 V180 D201	M157-H203 HydrophobicContact CG-CB 3.91Å; M157-H203 HydrophobicContact SD-CB 4.19Å; F158-H203 CarbonylContact O-C 3.59Å; F158-H203 VanDerWaalsContact O-CA 3.3Å; F158-H203 WeakPolarHBondContact O-CA 3.01Å; V180-H203 HydrophobicContact CB-CB 3.98Å; V180-H203 PolarHBondContact N-O 2.8Å; V180-H203 VanDerWaalsContact N-O 3.1Å; V180-H203 PolarHBondContact O-N 3.36Å; D201-H203 PolarHBondContact O-N 3.08Å; D201-H203 PolarHBondContact O-ND1 3.31Å
204	I	46.7	Very low	50.8	Low	0 Å²	0	56 Å²	56	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117.8	-170.5	-58.9	166.6	0	0	0	110.1	M157 F158 Y163 I177 L196 L202 C206	M157-I204 WeakPolarHBondContact CA-O 3.26Å; F158-I204 PolarHBondContact N-O 3.45Å; F158-I204 PolarHBondContact O-N 3.1Å; Y163-I204 HydrophobicContact CD1-CD1 3.2Å; Y163-I204 HydrophobicContact CD1-CG1 4.44Å; Y163-I204 HydrophobicContact CD1-CG2 4.23Å; Y163-I204 HydrophobicContact CE1-CD1 3.82Å; Y163-I204 HydrophobicContact CE1-CG2 3.8Å; Y163-I204 HydrophobicContact CE2-CG2 4.38Å; Y163-I204 HydrophobicContact CG-CD1 3.59Å; I177-I204 HydrophobicContact CG1-CG2 4.3Å; I177-I204 HydrophobicContact CG2-CG2 4.17Å; L196-I204 HydrophobicContact CD2-CD1 3.44Å; L196-I204 VanDerWaalsContact CD2-CD1 3.44Å; L196-I204 HydrophobicContact CD2-CG1 4.42Å; L202-I204 HydrophobicContact CD2-CD1 3.92Å; L202-I204 HydrophobicContact CD2-CG1 3.77Å; L202-I204 HydrophobicContact CG-CG1 4.16Å; I204-C206 PolarHBondContact O-N 3.46Å
205	L	43.7	Very low	52.8	Low	28 Å²	28	56.1 Å²	56.1	15%	0.147	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	98.6	-180	-80.7	168.5	0	0	0	111.8	W110 W155 F156 V178 V180	W110-L205 HydrophobicContact CH2-CD1 4.15Å; W110-L205 HydrophobicContact CZ3-CD1 4.28Å; W155-L205 HydrophobicContact CB-CD2 4Å; W155-L205 HydrophobicContact CD2-CD2 4.37Å; W155-L205 HydrophobicContact CE3-CB 3.67Å; W155-L205 HydrophobicContact CE3-CD2 3.92Å; W155-L205 HydrophobicContact CE3-CG 4.33Å; W155-L205 HydrophobicContact CG-CD2 4.46Å; W155-L205 HydrophobicContact CZ3-CB 3.86Å; F156-L205 WeakPolarHBondContact O-CA 3.3Å; V178-L205 HydrophobicContact CB-CB 4.32Å; V178-L205 HydrophobicContact CB-CD1 4.29Å; V178-L205 HydrophobicContact CG1-CD1 4.43Å; V180-L205 HydrophobicContact CG2-CD1 3.6Å; V180-L205 HydrophobicContact CG2-CG 4.12Å
206	C	40.3	Very low	54.7	Low	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	137.5	172.8	-103.3	0	0	0	0	111.6	W155 F156 F158 Y163 F172 C175 I204	W155-C206 WeakPolarHBondContact CA-O 3.42Å; F156-C206 HydrophobicContact CB-CB 4.09Å; F156-C206 PolarHBondContact N-O 2.04Å; F156-C206 PolarHBondContact O-N 2.96Å; F158-C206 HydrophobicContact CE2-CB 3.91Å; Y163-C206 PolarHBondContact OH-SG 2.83Å; F172-C206 HydrophobicContact CD1-CB 4.45Å; F172-C206 VanDerWaalsContact CD1-SG 3.52Å; C175-C206 HydrophobicContact CB-CB 4Å; C175-C206 WeakPolarHBondContact CB-SG 3.27Å; C175-C206 VanDerWaalsContact SG-CA 3.54Å; C175-C206 WeakPolarHBondContact SG-CB 3.49Å; C175-C206 CovalentContact SG-SG 2.04Å; C175-C206 PolarHBondContact SG-SG 2.8Å; I204-C206 PolarHBondContact O-N 3.46Å
207	A	40.8	Very low	56.8	Low	25 Å²	25	56.8 Å²	56.8	21%	0.207	30%	0.297	C	S	.	.			trans	-134.3	129.3	163.6	0	0	0	0	0	108.3	W155	W155-A207 HydrophobicContact CD2-CB 4.15Å; W155-A207 HydrophobicContact CE3-CB 3.92Å; W155-A207 HydrophobicContact CH2-CB 3.62Å; W155-A207 HydrophobicContact CZ2-CB 3.83Å; W155-A207 HydrophobicContact CZ3-CB 3.67Å
208	H	43.5	Very low	59	Low	61 Å²	61	54.4 Å²	54.4	28%	0.282	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-83.1	144.8	179	-60.7	136.5	0	0	0	111.5	F156 F172	F156-H208 AromaticContact CE2-CE1 3.84Å; F172-H208 AromaticContact CD1-NE2 3.26Å; F172-H208 VanDerWaalsContact CD1-NE2 3.26Å; F172-H208 WeakPolarHBondContact CD1-NE2 3.28Å; F172-H208 AromaticContact CE1-CE1 3.81Å; F172-H208 AromaticContact CE1-NE2 3.29Å; F172-H208 VanDerWaalsContact CE1-NE2 3.29Å; F172-H208 WeakPolarHBondContact CE1-NE2 3.36Å
209	S	44.6	Very low	60.6	Low	46 Å²	46	48.3 Å²	48.3	32%	0.322	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-80.1	144	155.1	69.8	0	0	0	0	109	K174 Y211	K174-S209 WeakPolarHBondContact CD-OG 3.14Å; K174-S209 VanDerWaalsContact CE-OG 3.24Å; K174-S209 WeakPolarHBondContact CE-OG 3.31Å; K174-S209 PolarHBondContact NZ-OG 2.77Å; S209-Y211 PolarHBondContact O-N 3.27Å
210	T	48.1	Very low	62.4	Low	120 Å²	120	52.2 Å²	52.2	74%	0.736	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-53.8	129.1	157.2	51.9	0	0	0	0	110.1
211	Y	52.8	Low	64	Low	33 Å²	33	54.1 Å²	54.1	13%	0.129	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-103.6	160.4	164.2	48.4	-98.1	0	0	0	108.7	V146 Y147 G148 S209 E246 G250	V146-Y211 PolarHBondContact O-OH 3.05Å; Y147-Y211 WeakPolarHBondContact CA-OH 3.49Å; Y147-Y211 HydrophobicContact CD1-CE2 4.32Å; G148-Y211 PolarHBondContact N-OH 2.99Å; G148-Y211 PolarHBondContact O-OH 3.28Å; S209-Y211 PolarHBondContact O-N 3.27Å; Y211-E246 WeakPolarHBondContact CA-OE1 3.31Å; Y211-G250 VanDerWaalsContact CD2-CA 3.48Å
212	N	60.6	Low	65.8	Low	80 Å²	80	50.8 Å²	50.8	43%	0.428	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-83.7	134.7	172.7	-68.4	-86.4	0	0	0	111.3	V243 N245 E246 G250	N212-V243 HydrophobicContact CB-CG1 3.9Å; N212-N245 VanDerWaalsContact O-CA 3.26Å; N212-N245 WeakPolarHBondContact O-CA 3.43Å; N212-E246 PolarHBondContact N-OE1 2.79Å; N212-E246 PolarHBondContact ND2-OE1 3.29Å; N212-E246 PolarHBondContact O-N 2.98Å; N212-G250 WeakPolarHBondContact O-CA 3.49Å
213	D	71.4	Confident	67.6	Low	22 Å²	22	51.3 Å²	51.3	12%	0.118	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-84.5	157.2	161.3	-54.4	-60.2	0	0	0	109.5	G148 S149 V215 G250 R251	G148-D213 WeakPolarHBondContact CA-OD1 3.05Å; G148-D213 WeakPolarHBondContact CA-OD2 3.23Å; G148-D213 PolarHBondContact N-OD1 2.96Å; S149-D213 WeakPolarHBondContact CB-OD2 3.34Å; S149-D213 PolarHBondContact N-OD2 2.69Å; S149-D213 PolarHBondContact OG-OD2 2.65Å; D213-V215 PolarHBondContact O-N 3.06Å; D213-G250 WeakPolarHBondContact OD1-CA 3.05Å; D213-R251 HydrophobicContact CB-CB 4.4Å; D213-R251 PolarHBondContact OD1-N 2.77Å
214	C	79.3	Confident	69.3	Low	20 Å²	20	52 Å²	52	14%	0.135	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-65.1	126.5	168.9	-178.1	0	0	0	0	110.7	V243 N245 R251 C253	C214-V243 WeakPolarHBondContact CA-O 3.48Å; C214-N245 HydrophobicContact CB-CB 4.46Å; C214-R251 VanDerWaalsContact CB-O 3.23Å; C214-R251 WeakPolarHBondContact CB-O 3.26Å; C214-R251 PolarHBondContact N-O 3.38Å; C214-C253 HydrophobicContact CB-CB 3.95Å; C214-C253 WeakPolarHBondContact CB-SG 3.44Å; C214-C253 WeakPolarHBondContact SG-CB 3.44Å; C214-C253 CovalentContact SG-SG 2.02Å; C214-C253 PolarHBondContact SG-SG 2.71Å
215	V	85.7	Confident	71.2	Confident	72 Å²	72	52.1 Å²	52.1	44%	0.436	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.1	170.5	-178.1	0	0	0	0	108.3	D213 K242 V243	D213-V215 PolarHBondContact O-N 3.06Å; V215-K242 HydrophobicContact CG1-CB 4.48Å; V215-K242 WeakPolarHBondContact O-CA 3.48Å; V215-K242 WeakPolarHBondContact O-CB 3.32Å; V215-K242 PolarHBondContact O-N 3.05Å; V215-V243 HydrophobicContact CB-CB 3.94Å; V215-V243 HydrophobicContact CB-CG2 4.05Å; V215-V243 HydrophobicContact CG2-CB 4.05Å; V215-V243 HydrophobicContact CG2-CG2 4.17Å; V215-V243 PolarHBondContact N-O 2.89Å; V215-V243 PolarHBondContact O-N 3.09Å
216	E	89.6	Confident	73.2	Confident	46 Å²	46	56 Å²	56	22%	0.215	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	155.7	177.8	63.4	-175	160.8	0	0	113.3	Y239 R240 H255 Y256	E216-Y239 HydrophobicContact CG-CD1 4.13Å; E216-R240 CarbonylContact C-O 3.17Å; E216-R240 VanDerWaalsContact CA-O 3.27Å; E216-R240 WeakPolarHBondContact CA-O 3.16Å; E216-H255 VanDerWaalsContact OE1-CB 3.31Å; E216-H255 WeakPolarHBondContact OE1-CB 3.36Å; E216-H255 IonicContact OE1-CD2 3.76Å; E216-H255 PolarHBondContact OE1-CD2 2.98Å; E216-H255 IonicContact OE1-CG 2.68Å; E216-H255 PolarHBondContact OE1-N 2.93Å; E216-H255 WeakPolarHBondContact OE2-CA 3.36Å; E216-H255 PolarHBondContact OE2-N 3.49Å; E216-Y256 PolarHBondContact OE2-N 3.42Å; E216-Y256 VanDerWaalsContact OE2-N 3.09Å
217	E	92.9	Very high	75	Confident	57 Å²	57	58.6 Å²	58.6	27%	0.266	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.8	179.8	174.8	-179.1	-111.9	0	0	111.2	V219 Y239 R240 K242	E217-V219 PolarHBondContact O-N 3.01Å; E217-Y239 CarbonylContact O-C 3.57Å; E217-Y239 WeakPolarHBondContact O-CA 3.49Å; E217-R240 HydrophobicContact CB-CG 4.25Å; E217-R240 PolarHBondContact N-O 2.7Å; E217-R240 PolarHBondContact O-N 3.12Å; E217-R240 IonicContact OE2-CZ 2.65Å; E217-R240 IonicContact OE2-NE 3.08Å; E217-R240 PolarHBondContact OE2-NE 3.43Å; E217-R240 IonicContact OE2-NH2 3.15Å; E217-R240 PolarHBondContact OE2-NH2 3.46Å; E217-K242 HydrophobicContact CB-CD 4.06Å; E217-K242 HydrophobicContact CB-CG 4.24Å; E217-K242 WeakPolarHBondContact OE1-CE 3.34Å; E217-K242 IonicContact OE1-NZ 3.63Å; E217-K242 PolarHBondContact OE1-NZ 3.09Å; E217-K242 VanDerWaalsContact OE2-CE 3.3Å; E217-K242 WeakPolarHBondContact OE2-CE 3.27Å; E217-K242 IonicContact OE2-NZ 3.17Å
218	K	92.8	Very high	76.5	Confident	78 Å²	78	60 Å²	60	34%	0.339	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	112.7	173.4	-163.5	178.8	-170.4	152	0	111.6	N220 Y237 Y239	K218-N220 WeakPolarHBondContact CD-OD1 3.4Å; K218-N220 VanDerWaalsContact CE-OD1 3.31Å; K218-N220 WeakPolarHBondContact CE-OD1 3.42Å; K218-N220 WeakPolarHBondContact CG-OD1 3.49Å; K218-N220 PolarHBondContact O-N 2.91Å; K218-Y237 HydrophobicContact CD-CD2 4.45Å; K218-Y237 VanDerWaalsContact CE-CG 3.42Å; K218-Y237 HydrophobicContact CG-CD2 4.37Å; K218-Y239 HydrophobicContact CB-CD1 3.93Å; K218-Y239 HydrophobicContact CB-CE1 3.72Å; K218-Y239 HydrophobicContact CB-CG 4.44Å; K218-Y239 HydrophobicContact CD-CE1 4.24Å; K218-Y239 HydrophobicContact CD-CE2 4.06Å; K218-Y239 HydrophobicContact CG-CD1 4.37Å; K218-Y239 HydrophobicContact CG-CD2 4.34Å; K218-Y239 HydrophobicContact CG-CE1 4.05Å; K218-Y239 HydrophobicContact CG-CE2 3.96Å; K218-Y239 PolarHBondContact NZ-OH 3.41Å
219	V	89.3	Confident	77.5	Confident	22 Å²	22	66.4 Å²	66.4	13%	0.133	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	95.7	176.7	178	0	0	0	0	109.1	E217 R221 Y237 H238 R240	E217-V219 PolarHBondContact O-N 3.01Å; V219-R221 VanDerWaalsContact C-N 3.31Å; V219-R221 HydrophobicContact CG1-CG 3.96Å; V219-R221 PolarHBondContact O-N 3.04Å; V219-R221 VanDerWaalsContact O-N 3.08Å; V219-Y237 WeakPolarHBondContact O-CA 3.47Å; V219-H238 PolarHBondContact N-O 3.41Å; V219-H238 PolarHBondContact O-N 2.86Å; V219-R240 HydrophobicContact CG2-CG 3.86Å
220	N	89.8	Confident	78.7	Confident	120 Å²	120	71 Å²	71	64%	0.642	36%	0.358	S	S	*	.			trans	-82.9	63.4	-178.5	-62.2	-46.1	0	0	0	112.5	K218	K218-N220 WeakPolarHBondContact CD-OD1 3.4Å; K218-N220 VanDerWaalsContact CE-OD1 3.31Å; K218-N220 WeakPolarHBondContact CE-OD1 3.42Å; K218-N220 WeakPolarHBondContact CG-OD1 3.49Å; K218-N220 PolarHBondContact O-N 2.91Å
221	R	86	Confident	80.1	Confident	164 Å²	164	66.1 Å²	66.1	62%	0.619	33%	0.328	S	S	*	.	S	Bend	trans	-152.3	149.5	169.1	70.2	-175	-177.3	-179.2	0.5	110.4	V219 S223 D236	V219-R221 VanDerWaalsContact C-N 3.31Å; V219-R221 HydrophobicContact CG1-CG 3.96Å; V219-R221 PolarHBondContact O-N 3.04Å; V219-R221 VanDerWaalsContact O-N 3.08Å; R221-S223 WeakPolarHBondContact CG-OG 3.21Å; R221-S223 WeakPolarHBondContact O-CB 3.24Å; R221-S223 PolarHBondContact O-N 3.47Å; R221-S223 PolarHBondContact O-OG 2.89Å; R221-D236 CarbonylContact C-O 3.55Å; R221-D236 WeakPolarHBondContact CA-O 3.41Å; R221-D236 PolarHBondContact N-O 2.9Å; R221-D236 VanDerWaalsContact N-O 3.17Å
222	C	86.8	Confident	81.5	Confident	35 Å²	35	67.7 Å²	67.7	24%	0.236	34%	0.338	C	S	.	.			trans	-54.5	108.4	177	-174.5	0	0	0	0	111.3	Y235 C263 T264	C222-Y235 WeakPolarHBondContact CA-O 3.22Å; C222-C263 WeakPolarHBondContact CA-SG 3.48Å; C222-C263 HydrophobicContact CB-CB 3.87Å; C222-C263 WeakPolarHBondContact CB-SG 3.06Å; C222-C263 WeakPolarHBondContact SG-CB 3.45Å; C222-C263 CovalentContact SG-SG 2.03Å; C222-C263 PolarHBondContact SG-SG 2.98Å; C222-T264 VanDerWaalsContact SG-C 3.57Å
223	S	85.5	Confident	82.8	Confident	12 Å²	12	64.5 Å²	64.5	8%	0.084	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146.3	-168.7	-58.9	0	0	0	0	111	R221 W234 Y235 H238	R221-S223 WeakPolarHBondContact CG-OG 3.21Å; R221-S223 WeakPolarHBondContact O-CB 3.24Å; R221-S223 PolarHBondContact O-N 3.47Å; R221-S223 PolarHBondContact O-OG 2.89Å; S223-W234 VanDerWaalsContact C-CZ3 3.44Å; S223-W234 WeakPolarHBondContact O-CA 3.49Å; S223-Y235 PolarHBondContact N-O 3.06Å; S223-Y235 PolarHBondContact O-N 2.71Å; S223-H238 WeakPolarHBondContact CB-CE1 3.44Å; S223-H238 PolarHBondContact OG-CE1 2.98Å
224	Y	85.8	Confident	83.5	Confident	50 Å²	50	65.7 Å²	65.7	20%	0.196	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	124	171.9	-166.8	-98.3	0	0	0	110.1	N226 G233 W234 K310	Y224-N226 HydrophobicContact CD1-CB 4.31Å; Y224-N226 HydrophobicContact CE1-CB 3.96Å; Y224-G233 CarbonylContact C-O 3.56Å; Y224-G233 WeakPolarHBondContact CA-O 3.46Å; Y224-G233 WeakPolarHBondContact CD2-O 3.44Å; Y224-W234 AromaticContact CD2-CD1 3.95Å; Y224-W234 HydrophobicContact CD2-CD2 4.16Å; Y224-W234 AromaticContact CD2-CE2 3.81Å; Y224-W234 HydrophobicContact CD2-CG 4.21Å; Y224-W234 HydrophobicContact CD2-CZ2 4.25Å; Y224-W234 AromaticContact CD2-NE1 3.7Å; Y224-W234 HydrophobicContact CG-CZ2 4.4Å; Y224-W234 VanDerWaalsContact N-CE3 3.3Å; Y224-K310 HydrophobicContact CD1-CB 3.72Å; Y224-K310 HydrophobicContact CD2-CB 4.42Å; Y224-K310 HydrophobicContact CE1-CB 3.45Å; Y224-K310 VanDerWaalsContact CE1-CB 3.45Å; Y224-K310 HydrophobicContact CE1-CD 3.76Å; Y224-K310 HydrophobicContact CE1-CG 4.26Å; Y224-K310 HydrophobicContact CE2-CB 4.22Å; Y224-K310 HydrophobicContact CG-CB 4.2Å; Y224-K310 WeakPolarHBondContact OH-CD 3.3Å
225	V	86.9	Confident	84.1	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.024	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.5	176.5	-177	0	0	0	0	108.5	R227 I231 N232 G233 Y235 H238	V225-R227 HydrophobicContact CG1-CB 4.29Å; V225-R227 HydrophobicContact CG1-CG 3.68Å; V225-I231 HydrophobicContact CG1-CG2 3.9Å; V225-N232 VanDerWaalsContact O-CA 3.29Å; V225-N232 WeakPolarHBondContact O-CA 3.13Å; V225-G233 PolarHBondContact N-O 2.68Å; V225-G233 PolarHBondContact O-N 3.15Å; V225-G233 VanDerWaalsContact O-N 3.08Å; V225-Y235 HydrophobicContact CB-CD2 3.82Å; V225-Y235 HydrophobicContact CB-CE2 4.05Å; V225-Y235 HydrophobicContact CG2-CD2 3.71Å; V225-Y235 HydrophobicContact CG2-CE2 4.43Å; V225-H238 HydrophobicContact CG2-CB 3.66Å
226	N	85	Confident	84.4	Confident	108 Å²	108	65.2 Å²	65.2	58%	0.578	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137	82.1	-179.9	-175.8	40.1	0	0	0	108.7	Y224 N232	Y224-N226 HydrophobicContact CD1-CB 4.31Å; Y224-N226 HydrophobicContact CE1-CB 3.96Å; N226-N232 WeakPolarHBondContact CA-OD1 3.45Å; N226-N232 PolarHBondContact OD1-OD1 3.23Å; N226-N232 VanDerWaalsContact OD1-OD1 3.09Å
227	R	77.7	Confident	84.5	Confident	55 Å²	55	66.4 Å²	66.4	21%	0.208	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-30.8	-170.3	-74.2	-179.1	-179.6	173	-1	115	V225 I231 Y239 Y256	V225-R227 HydrophobicContact CG1-CB 4.29Å; V225-R227 HydrophobicContact CG1-CG 3.68Å; R227-I231 PolarHBondContact N-O 3.02Å; R227-Y239 PolarHBondContact NH1-O 3.42Å; R227-Y239 PolarHBondContact NH2-O 3.44Å; R227-Y256 HydrophobicContact CG-CE1 4.35Å; R227-Y256 PolarHBondContact NH1-O 3.23Å
228	S	72.8	Confident	84.4	Confident	56 Å²	56	64.8 Å²	64.8	39%	0.392	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	164.7	-178.8	179.2	0	0	0	0	108.4	N230 I231 N232	S228-N230 PolarHBondContact O-N 2.99Å; S228-I231 CarbonylContact O-C 3.28Å; S228-I231 PolarHBondContact O-N 3.39Å; S228-N232 PolarHBondContact O-ND2 2.82Å; S228-N232 VanDerWaalsContact O-ND2 3.12Å; S228-N232 PolarHBondContact O-OD1 2.98Å; S228-N232 VanDerWaalsContact O-OD1 3.05Å
229	K	63.9	Low	84.3	Confident	195 Å²	195	63 Å²	63	85%	0.848	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-26.2	174.5	-67.7	-179.3	179.1	176.3	0	113.1
230	N	70.1	Confident	84.3	Confident	142 Å²	142	68 Å²	68	76%	0.759	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-17.1	-177.1	-57.8	-3.1	0	0	0	114.5	S228	S228-N230 PolarHBondContact O-N 2.99Å
231	I	76.9	Confident	84.3	Confident	18 Å²	18	64.9 Å²	64.9	9%	0.092	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	74.9	-176.3	-48.4	175.8	0	0	0	108.7	V225 R227 S228 Y235 Y257	V225-I231 HydrophobicContact CG1-CG2 3.9Å; R227-I231 PolarHBondContact N-O 3.02Å; S228-I231 CarbonylContact O-C 3.28Å; S228-I231 PolarHBondContact O-N 3.39Å; I231-Y235 HydrophobicContact CG2-CE2 3.89Å; I231-Y257 HydrophobicContact CD1-CD1 4.01Å
232	N	83.7	Confident	84.5	Confident	65 Å²	65	62.8 Å²	62.8	35%	0.348	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	92.9	-178.6	-78	-19.1	0	0	0	109	V225 N226 S228	V225-N232 VanDerWaalsContact O-CA 3.29Å; V225-N232 WeakPolarHBondContact O-CA 3.13Å; N226-N232 WeakPolarHBondContact CA-OD1 3.45Å; N226-N232 PolarHBondContact OD1-OD1 3.23Å; N226-N232 VanDerWaalsContact OD1-OD1 3.09Å; S228-N232 PolarHBondContact O-ND2 2.82Å; S228-N232 VanDerWaalsContact O-ND2 3.12Å; S228-N232 PolarHBondContact O-OD1 2.98Å; S228-N232 VanDerWaalsContact O-OD1 3.05Å
233	G	86.5	Confident	84.4	Confident	13 Å²	13	63.6 Å²	63.6	13%	0.134	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.9	178.4	-168.8	0	0	0	0	0	114.7	Y224 V225 Y235	Y224-G233 CarbonylContact C-O 3.56Å; Y224-G233 WeakPolarHBondContact CA-O 3.46Å; Y224-G233 WeakPolarHBondContact CD2-O 3.44Å; V225-G233 PolarHBondContact N-O 2.68Å; V225-G233 PolarHBondContact O-N 3.15Å; V225-G233 VanDerWaalsContact O-N 3.08Å; G233-Y235 WeakPolarHBondContact O-CD2 3.45Å; G233-Y235 WeakPolarHBondContact O-CE2 3.39Å
234	W	87.7	Confident	84.2	Confident	47 Å²	47	70 Å²	70	18%	0.178	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	117.6	175.3	-75.6	101.5	0	0	0	110.1	S223 Y224 N262 C263 P265 Q296 K310	S223-W234 VanDerWaalsContact C-CZ3 3.44Å; S223-W234 WeakPolarHBondContact O-CA 3.49Å; Y224-W234 AromaticContact CD2-CD1 3.95Å; Y224-W234 HydrophobicContact CD2-CD2 4.16Å; Y224-W234 AromaticContact CD2-CE2 3.81Å; Y224-W234 HydrophobicContact CD2-CG 4.21Å; Y224-W234 HydrophobicContact CD2-CZ2 4.25Å; Y224-W234 AromaticContact CD2-NE1 3.7Å; Y224-W234 HydrophobicContact CG-CZ2 4.4Å; Y224-W234 VanDerWaalsContact N-CE3 3.3Å; W234-N262 CarbonylContact O-C 3.51Å; W234-N262 VanDerWaalsContact O-CA 3.27Å; W234-N262 WeakPolarHBondContact O-CA 3.36Å; W234-C263 WeakPolarHBondContact CB-O 3.39Å; W234-C263 PolarHBondContact O-N 2.85Å; W234-P265 HydrophobicContact CD2-CB 4.17Å; W234-P265 HydrophobicContact CD2-CG 3.94Å; W234-P265 HydrophobicContact CE3-CB 3.96Å; W234-P265 HydrophobicContact CE3-CG 4.26Å; W234-P265 HydrophobicContact CG-CG 4.41Å; W234-P265 HydrophobicContact CH2-CB 4.28Å; W234-P265 HydrophobicContact CZ2-CB 4.4Å; W234-P265 HydrophobicContact CZ2-CG 4.22Å; W234-P265 HydrophobicContact CZ3-CB 4.03Å; W234-Q296 VanDerWaalsContact CH2-OE1 3.24Å; W234-K310 VanDerWaalsContact CZ2-O 3.31Å; W234-K310 WeakPolarHBondContact CZ2-O 3.25Å
235	Y	91.6	Very high	83.6	Confident	17 Å²	17	69.2 Å²	69.2	7%	0.067	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.4	-177.7	-56.9	-80.8	0	0	0	112.1	C222 S223 V225 I231 G233 Y237 H259 G260 K261 N262 C263	C222-Y235 WeakPolarHBondContact CA-O 3.22Å; S223-Y235 PolarHBondContact N-O 3.06Å; S223-Y235 PolarHBondContact O-N 2.71Å; V225-Y235 HydrophobicContact CB-CD2 3.82Å; V225-Y235 HydrophobicContact CB-CE2 4.05Å; V225-Y235 HydrophobicContact CG2-CD2 3.71Å; V225-Y235 HydrophobicContact CG2-CE2 4.43Å; I231-Y235 HydrophobicContact CG2-CE2 3.89Å; G233-Y235 WeakPolarHBondContact O-CD2 3.45Å; G233-Y235 WeakPolarHBondContact O-CE2 3.39Å; Y235-Y237 VanDerWaalsContact C-N 3.3Å; Y235-Y237 PolarHBondContact O-N 2.03Å; Y235-H259 HydrophobicContact CD1-CB 4.15Å; Y235-H259 AromaticContact CD1-CD2 3.45Å; Y235-H259 VanDerWaalsContact CD1-CD2 3.45Å; Y235-H259 WeakPolarHBondContact CD1-CD2 3.37Å; Y235-H259 HydrophobicContact CD2-CB 4.36Å; Y235-H259 AromaticContact CE1-CD2 3.22Å; Y235-H259 WeakPolarHBondContact CE1-CD2 3.27Å; Y235-H259 AromaticContact CE1-NE2 3.83Å; Y235-H259 HydrophobicContact CG-CB 4Å; Y235-H259 AromaticContact CZ-CD2 3.76Å; Y235-G260 WeakPolarHBondContact CD1-O 3.25Å; Y235-K261 WeakPolarHBondContact CA-O 3.49Å; Y235-N262 VanDerWaalsContact CE1-OD1 3.25Å; Y235-N262 WeakPolarHBondContact CE1-OD1 3.17Å; Y235-C263 PolarHBondContact N-SG 2.84Å; Y235-C263 VanDerWaalsContact N-SG 3.41Å; Y235-C263 PolarHBondContact O-SG 2.03Å
236	D	91.3	Very high	82.5	Confident	66 Å²	66	71.9 Å²	71.9	35%	0.353	35%	0.345	S	S	.	.	S	Bend	trans	-65.4	-28.6	-177.7	58.7	8.4	0	0	0	113.8	R221 G260 K261 C263	R221-D236 CarbonylContact C-O 3.55Å; R221-D236 WeakPolarHBondContact CA-O 3.41Å; R221-D236 PolarHBondContact N-O 2.9Å; R221-D236 VanDerWaalsContact N-O 3.17Å; D236-G260 WeakPolarHBondContact OD1-CA 3.4Å; D236-K261 PolarHBondContact N-O 2.79Å; D236-K261 PolarHBondContact OD1-N 3.44Å; D236-C263 HydrophobicContact CB-CB 4.18Å
237	Y	92.2	Very high	80.9	Confident	70 Å²	70	71.2 Å²	71.2	28%	0.275	35%	0.346	S	S	.	.			trans	-141.5	161.3	161.2	72	-99	0	0	0	113.1	K218 V219 Y235 Y239 H259 G260	K218-Y237 HydrophobicContact CD-CD2 4.45Å; K218-Y237 VanDerWaalsContact CE-CG 3.42Å; K218-Y237 HydrophobicContact CG-CD2 4.37Å; V219-Y237 WeakPolarHBondContact O-CA 3.47Å; Y235-Y237 VanDerWaalsContact C-N 3.3Å; Y235-Y237 PolarHBondContact O-N 2.03Å; Y237-Y239 HydrophobicContact CD2-CE2 4.23Å; Y237-Y239 HydrophobicContact CE2-CE2 4.07Å; Y237-H259 WeakPolarHBondContact O-CA 3.38Å; Y237-G260 VanDerWaalsContact CZ-CA 3.44Å; Y237-G260 PolarHBondContact O-N 3.42Å
238	H	91.2	Very high	79.5	Confident	23 Å²	23	73.2 Å²	73.2	11%	0.106	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	157.7	169.4	66.7	-57	0	0	0	110.6	V219 S223 V225	V219-H238 PolarHBondContact N-O 3.41Å; V219-H238 PolarHBondContact O-N 2.86Å; S223-H238 WeakPolarHBondContact CB-CE1 3.44Å; S223-H238 PolarHBondContact OG-CE1 2.98Å; V225-H238 HydrophobicContact CG2-CB 3.66Å
239	Y	90.7	Very high	78.5	Confident	40 Å²	40	72.4 Å²	72.4	16%	0.157	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.3	177.8	-70.7	-105.6	0	0	0	111.6	E216 E217 K218 R227 Y237 H255 D258	E216-Y239 HydrophobicContact CG-CD1 4.13Å; E217-Y239 CarbonylContact O-C 3.57Å; E217-Y239 WeakPolarHBondContact O-CA 3.49Å; K218-Y239 HydrophobicContact CB-CD1 3.93Å; K218-Y239 HydrophobicContact CB-CE1 3.72Å; K218-Y239 HydrophobicContact CB-CG 4.44Å; K218-Y239 HydrophobicContact CD-CE1 4.24Å; K218-Y239 HydrophobicContact CD-CE2 4.06Å; K218-Y239 HydrophobicContact CG-CD1 4.37Å; K218-Y239 HydrophobicContact CG-CD2 4.34Å; K218-Y239 HydrophobicContact CG-CE1 4.05Å; K218-Y239 HydrophobicContact CG-CE2 3.96Å; K218-Y239 PolarHBondContact NZ-OH 3.41Å; R227-Y239 PolarHBondContact NH1-O 3.42Å; R227-Y239 PolarHBondContact NH2-O 3.44Å; Y237-Y239 HydrophobicContact CD2-CE2 4.23Å; Y237-Y239 HydrophobicContact CE2-CE2 4.07Å; Y239-H255 WeakPolarHBondContact CB-O 3.39Å; Y239-H255 HydrophobicContact CD1-CB 3.67Å; Y239-H255 HydrophobicContact CD2-CB 3.69Å; Y239-H255 HydrophobicContact CE1-CB 3.75Å; Y239-H255 HydrophobicContact CE2-CB 3.82Å; Y239-H255 HydrophobicContact CG-CB 3.63Å; Y239-D258 HydrophobicContact CD2-CB 4Å; Y239-D258 HydrophobicContact CE2-CB 4.02Å
240	R	89.1	Confident	78.2	Confident	127 Å²	127	63.3 Å²	63.3	48%	0.479	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	143.1	175.9	69.8	176.1	175.8	163.6	-0.9	111.8	E216 E217 V219	E216-R240 CarbonylContact C-O 3.17Å; E216-R240 VanDerWaalsContact CA-O 3.27Å; E216-R240 WeakPolarHBondContact CA-O 3.16Å; E217-R240 HydrophobicContact CB-CG 4.25Å; E217-R240 PolarHBondContact N-O 2.7Å; E217-R240 PolarHBondContact O-N 3.12Å; E217-R240 IonicContact OE2-CZ 2.65Å; E217-R240 IonicContact OE2-NE 3.08Å; E217-R240 PolarHBondContact OE2-NE 3.43Å; E217-R240 IonicContact OE2-NH2 3.15Å; E217-R240 PolarHBondContact OE2-NH2 3.46Å; V219-R240 HydrophobicContact CG2-CG 3.86Å
241	I	88.6	Confident	78	Confident	56 Å²	56	62.7 Å²	62.7	29%	0.287	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	133.9	171.3	-53.8	177.8	0	0	0	108.8	V243 E244 Y256	I241-V243 VanDerWaalsContact CG2-C 3.47Å; I241-V243 WeakPolarHBondContact CG2-O 3.45Å; I241-E244 HydrophobicContact CG2-CG 3.83Å; I241-Y256 HydrophobicContact CD1-CD2 3.74Å; I241-Y256 HydrophobicContact CD1-CE2 3.67Å; I241-Y256 HydrophobicContact CD1-CG 4.41Å; I241-Y256 HydrophobicContact CG1-CD2 3.53Å; I241-Y256 HydrophobicContact CG1-CE2 3.7Å; I241-Y256 HydrophobicContact CG1-CG 4.48Å
242	K	90.3	Very high	78.1	Confident	120 Å²	120	69 Å²	69	52%	0.522	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-36	168.4	-77.4	-177.9	167.5	168.4	0	112	V215 E217	V215-K242 HydrophobicContact CG1-CB 4.48Å; V215-K242 WeakPolarHBondContact O-CA 3.48Å; V215-K242 WeakPolarHBondContact O-CB 3.32Å; V215-K242 PolarHBondContact O-N 3.05Å; E217-K242 HydrophobicContact CB-CD 4.06Å; E217-K242 HydrophobicContact CB-CG 4.24Å; E217-K242 WeakPolarHBondContact OE1-CE 3.34Å; E217-K242 IonicContact OE1-NZ 3.63Å; E217-K242 PolarHBondContact OE1-NZ 3.09Å; E217-K242 VanDerWaalsContact OE2-CE 3.3Å; E217-K242 WeakPolarHBondContact OE2-CE 3.27Å; E217-K242 IonicContact OE2-NZ 3.17Å
243	V	84.6	Confident	78.1	Confident	51 Å²	51	67.1 Å²	67.1	31%	0.309	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125.7	177.1	-175.3	0	0	0	0	106.2	N212 C214 V215 I241	N212-V243 HydrophobicContact CB-CG1 3.9Å; C214-V243 WeakPolarHBondContact CA-O 3.48Å; V215-V243 HydrophobicContact CB-CB 3.94Å; V215-V243 HydrophobicContact CB-CG2 4.05Å; V215-V243 HydrophobicContact CG2-CB 4.05Å; V215-V243 HydrophobicContact CG2-CG2 4.17Å; V215-V243 PolarHBondContact N-O 2.89Å; V215-V243 PolarHBondContact O-N 3.09Å; I241-V243 VanDerWaalsContact CG2-C 3.47Å; I241-V243 WeakPolarHBondContact CG2-O 3.45Å
244	E	82.6	Confident	78.1	Confident	148 Å²	148	72 Å²	72	69%	0.692	34%	0.344	S	S	*	.			trans	-79.6	152.1	172.1	-67.4	172.3	176.1	0	0	109.3	I241	I241-E244 HydrophobicContact CG2-CG 3.83Å
245	N	72.7	Confident	78	Confident	32 Å²	32	73.2 Å²	73.2	17%	0.171	35%	0.351	C	S	.	.			trans	-75.5	177.2	172.8	62.1	-40.1	0	0	0	112	N212 C214 P247 G250	N212-N245 VanDerWaalsContact O-CA 3.26Å; N212-N245 WeakPolarHBondContact O-CA 3.43Å; C214-N245 HydrophobicContact CB-CB 4.46Å; N245-P247 WeakPolarHBondContact O-CD 3.03Å; N245-G250 WeakPolarHBondContact CB-O 3.48Å; N245-G250 PolarHBondContact ND2-O 3.04Å
246	E	62.4	Low	77.6	Confident	61 Å²	61	75.3 Å²	75.3	29%	0.285	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-111.1	69.9	177.3	-80.6	175.2	-125.9	0	0	112.3	K174 Y211 N212 Y249	K174-E246 IonicContact NZ-OE2 3.86Å; K174-E246 PolarHBondContact NZ-OE2 3.08Å; K174-E246 VanDerWaalsContact NZ-OE2 3.08Å; Y211-E246 WeakPolarHBondContact CA-OE1 3.31Å; N212-E246 PolarHBondContact N-OE1 2.79Å; N212-E246 PolarHBondContact ND2-OE1 3.29Å; N212-E246 PolarHBondContact O-N 2.98Å; E246-Y249 CarbonylContact C-O 3.5Å; E246-Y249 WeakPolarHBondContact CA-O 3.33Å; E246-Y249 PolarHBondContact N-O 2.69Å; E246-Y249 CarbonylContact O-C 3.58Å; E246-Y249 WeakPolarHBondContact O-CA 3.38Å; E246-Y249 WeakPolarHBondContact O-CB 3.33Å; E246-Y249 WeakPolarHBondContact O-CD2 3.08Å; E246-Y249 PolarHBondContact O-N 2.97Å
247	P	51.7	Low	77.4	Confident	94 Å²	94	79.2 Å²	79.2	61%	0.61	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	137.2	-174.5	-31.7	34.2	0	0	0	115.4	N245 Y249	N245-P247 WeakPolarHBondContact O-CD 3.03Å; P247-Y249 VanDerWaalsContact C-N 3.31Å
248	P	49	Very low	77.2	Confident	96 Å²	96	79.5 Å²	79.5	62%	0.623	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	cis	-81.5	14.8	1.3	34.7	-39	0	0	0	115.4
249	Y	51.3	Low	77.1	Confident	39 Å²	39	81.5 Å²	81.5	15%	0.153	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-105.2	155.6	-176.4	-44.3	-75.7	0	0	0	112.7	Y147 G170 P173 E246 P247	Y147-Y249 HydrophobicContact CE1-CD1 4.22Å; G170-Y249 WeakPolarHBondContact O-CE1 3.18Å; G170-Y249 PolarHBondContact O-OH 2.75Å; P173-Y249 HydrophobicContact CB-CE1 4.42Å; P173-Y249 HydrophobicContact CB-CE2 3.95Å; P173-Y249 WeakPolarHBondContact CB-OH 3.44Å; P173-Y249 HydrophobicContact CG-CD1 4.32Å; P173-Y249 HydrophobicContact CG-CD2 4.35Å; P173-Y249 HydrophobicContact CG-CE1 3.68Å; P173-Y249 HydrophobicContact CG-CE2 3.71Å; E246-Y249 CarbonylContact C-O 3.5Å; E246-Y249 WeakPolarHBondContact CA-O 3.33Å; E246-Y249 PolarHBondContact N-O 2.69Å; E246-Y249 CarbonylContact O-C 3.58Å; E246-Y249 WeakPolarHBondContact O-CA 3.38Å; E246-Y249 WeakPolarHBondContact O-CB 3.33Å; E246-Y249 WeakPolarHBondContact O-CD2 3.08Å; E246-Y249 PolarHBondContact O-N 2.97Å; P247-Y249 VanDerWaalsContact C-N 3.31Å
250	G	58.3	Low	77.1	Confident	4 Å²	4	80.3 Å²	80.3	4%	0.041	39%	0.385	C	S	.	.	S	Bend	trans	78.9	137.3	179.8	0	0	0	0	0	112.4	Y211 N212 D213 N245 E252	Y211-G250 VanDerWaalsContact CD2-CA 3.48Å; N212-G250 WeakPolarHBondContact O-CA 3.49Å; D213-G250 WeakPolarHBondContact OD1-CA 3.05Å; N245-G250 WeakPolarHBondContact CB-O 3.48Å; N245-G250 PolarHBondContact ND2-O 3.04Å; G250-E252 PolarHBondContact O-N 3.41Å
251	R	65.5	Low	77.2	Confident	130 Å²	130	82.1 Å²	82.1	49%	0.491	40%	0.396	S	S	.	.			trans	-60.5	133.3	-171.8	-168.4	-177	-176.9	-170.8	4.9	111.4	D213 C214 E254	D213-R251 HydrophobicContact CB-CB 4.4Å; D213-R251 PolarHBondContact OD1-N 2.77Å; C214-R251 VanDerWaalsContact CB-O 3.23Å; C214-R251 WeakPolarHBondContact CB-O 3.26Å; C214-R251 PolarHBondContact N-O 3.38Å; R251-E254 VanDerWaalsContact CZ-CD 3.46Å; R251-E254 IonicContact CZ-OE1 2.72Å; R251-E254 IonicContact CZ-OE2 2.66Å; R251-E254 VanDerWaalsContact CZ-OE2 3.32Å; R251-E254 IonicContact NE-OE1 3.66Å; R251-E254 PolarHBondContact NE-OE1 3.23Å; R251-E254 IonicContact NE-OE2 3.87Å; R251-E254 IonicContact NH2-OE1 2.77Å; R251-E254 PolarHBondContact NH2-OE1 3.47Å; R251-E254 IonicContact NH2-OE2 2.62Å; R251-E254 PolarHBondContact NH2-OE2 2.98Å
252	E	78.8	Confident	77.4	Confident	150 Å²	150	86 Å²	86	70%	0.701	42%	0.418	S	S	*	.			trans	-68	164.4	173.4	-67.9	-164	165.5	0	0	112.4	G250 E254	G250-E252 PolarHBondContact O-N 3.41Å; E252-E254 PolarHBondContact O-N 2.85Å
253	C	83.4	Confident	77.4	Confident	26 Å²	26	81.7 Å²	81.7	18%	0.176	40%	0.402	C	S	.	.			trans	-79.4	99.3	-176.5	-42.5	0	0	0	0	111.8	C214 H255 Y256	C214-C253 HydrophobicContact CB-CB 3.95Å; C214-C253 WeakPolarHBondContact CB-SG 3.44Å; C214-C253 WeakPolarHBondContact SG-CB 3.44Å; C214-C253 CovalentContact SG-SG 2.02Å; C214-C253 PolarHBondContact SG-SG 2.71Å; C253-H255 PolarHBondContact O-N 3.5Å; C253-Y256 PolarHBondContact O-N 3.08Å
254	E	86.8	Confident	77.4	Confident	116 Å²	116	85.2 Å²	85.2	54%	0.542	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-41.2	-173.7	-66.8	179.5	159	0	0	113.7	R251 E252	R251-E254 VanDerWaalsContact CZ-CD 3.46Å; R251-E254 IonicContact CZ-OE1 2.72Å; R251-E254 IonicContact CZ-OE2 2.66Å; R251-E254 VanDerWaalsContact CZ-OE2 3.32Å; R251-E254 IonicContact NE-OE1 3.66Å; R251-E254 PolarHBondContact NE-OE1 3.23Å; R251-E254 IonicContact NE-OE2 3.87Å; R251-E254 IonicContact NH2-OE1 2.77Å; R251-E254 PolarHBondContact NH2-OE1 3.47Å; R251-E254 IonicContact NH2-OE2 2.62Å; R251-E254 PolarHBondContact NH2-OE2 2.98Å; E252-E254 PolarHBondContact O-N 2.85Å
255	H	86.1	Confident	77.4	Confident	72 Å²	72	79.8 Å²	79.8	33%	0.333	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	11.1	-177.5	-59.2	-70.5	0	0	0	113.9	E216 Y239 C253 Y257 D258	E216-H255 VanDerWaalsContact OE1-CB 3.31Å; E216-H255 WeakPolarHBondContact OE1-CB 3.36Å; E216-H255 IonicContact OE1-CD2 3.76Å; E216-H255 PolarHBondContact OE1-CD2 2.98Å; E216-H255 IonicContact OE1-CG 2.68Å; E216-H255 PolarHBondContact OE1-N 2.93Å; E216-H255 WeakPolarHBondContact OE2-CA 3.36Å; E216-H255 PolarHBondContact OE2-N 3.49Å; Y239-H255 WeakPolarHBondContact CB-O 3.39Å; Y239-H255 HydrophobicContact CD1-CB 3.67Å; Y239-H255 HydrophobicContact CD2-CB 3.69Å; Y239-H255 HydrophobicContact CE1-CB 3.75Å; Y239-H255 HydrophobicContact CE2-CB 3.82Å; Y239-H255 HydrophobicContact CG-CB 3.63Å; C253-H255 PolarHBondContact O-N 3.5Å; H255-Y257 PolarHBondContact O-N 3.28Å; H255-Y257 VanDerWaalsContact O-N 3.15Å; H255-D258 HydrophobicContact CB-CB 4.13Å; H255-D258 IonicContact CE1-OD2 2.72Å; H255-D258 IonicContact CG-OD2 3.79Å; H255-D258 IonicContact ND1-OD2 2.69Å; H255-D258 PolarHBondContact ND1-OD2 3Å; H255-D258 WeakPolarHBondContact O-CB 3.48Å; H255-D258 PolarHBondContact O-N 2.98Å
256	Y	83.6	Confident	77.9	Confident	61 Å²	61	83.7 Å²	83.7	24%	0.239	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-27.1	-176.1	178.5	-103	0	0	0	113.9	E216 R227 I241 C253	E216-Y256 PolarHBondContact OE2-N 3.42Å; E216-Y256 VanDerWaalsContact OE2-N 3.09Å; R227-Y256 HydrophobicContact CG-CE1 4.35Å; R227-Y256 PolarHBondContact NH1-O 3.23Å; I241-Y256 HydrophobicContact CD1-CD2 3.74Å; I241-Y256 HydrophobicContact CD1-CE2 3.67Å; I241-Y256 HydrophobicContact CD1-CG 4.41Å; I241-Y256 HydrophobicContact CG1-CD2 3.53Å; I241-Y256 HydrophobicContact CG1-CE2 3.7Å; I241-Y256 HydrophobicContact CG1-CG 4.48Å; C253-Y256 PolarHBondContact O-N 3.08Å
257	Y	85.6	Confident	78.8	Confident	148 Å²	148	82.8 Å²	82.8	58%	0.58	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-9.3	173.2	-62.1	-67.2	0	0	0	113.3	I231 H255 H259	I231-Y257 HydrophobicContact CD1-CD1 4.01Å; H255-Y257 PolarHBondContact O-N 3.28Å; H255-Y257 VanDerWaalsContact O-N 3.15Å; Y257-H259 PolarHBondContact O-N 3.07Å; Y257-H259 PolarHBondContact O-ND1 3.46Å
258	D	88.2	Confident	79.9	Confident	75 Å²	75	80.3 Å²	80.3	40%	0.401	41%	0.41	S	S	.	.			trans	-72	128.4	175.8	-79.5	-18.2	0	0	0	111.7	Y239 H255	Y239-D258 HydrophobicContact CD2-CB 4Å; Y239-D258 HydrophobicContact CE2-CB 4.02Å; H255-D258 HydrophobicContact CB-CB 4.13Å; H255-D258 IonicContact CE1-OD2 2.72Å; H255-D258 IonicContact CG-OD2 3.79Å; H255-D258 IonicContact ND1-OD2 2.69Å; H255-D258 PolarHBondContact ND1-OD2 3Å; H255-D258 WeakPolarHBondContact O-CB 3.48Å; H255-D258 PolarHBondContact O-N 2.98Å
259	H	89	Confident	81.2	Confident	66 Å²	66	78.4 Å²	78.4	31%	0.306	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-141.3	154.8	177.1	54.2	-82.5	0	0	0	108.3	Y235 Y237 Y257	Y235-H259 HydrophobicContact CD1-CB 4.15Å; Y235-H259 AromaticContact CD1-CD2 3.45Å; Y235-H259 VanDerWaalsContact CD1-CD2 3.45Å; Y235-H259 WeakPolarHBondContact CD1-CD2 3.37Å; Y235-H259 HydrophobicContact CD2-CB 4.36Å; Y235-H259 AromaticContact CE1-CD2 3.22Å; Y235-H259 WeakPolarHBondContact CE1-CD2 3.27Å; Y235-H259 AromaticContact CE1-NE2 3.83Å; Y235-H259 HydrophobicContact CG-CB 4Å; Y235-H259 AromaticContact CZ-CD2 3.76Å; Y237-H259 WeakPolarHBondContact O-CA 3.38Å; Y257-H259 PolarHBondContact O-N 3.07Å; Y257-H259 PolarHBondContact O-ND1 3.46Å
260	G	90.8	Very high	82.5	Confident	14 Å²	14	87.1 Å²	87.1	14%	0.144	44%	0.44	C	S	.	.			trans	-87.5	-147.5	178.7	0	0	0	0	0	113	Y235 D236 Y237	Y235-G260 WeakPolarHBondContact CD1-O 3.25Å; D236-G260 WeakPolarHBondContact OD1-CA 3.4Å; Y237-G260 VanDerWaalsContact CZ-CA 3.44Å; Y237-G260 PolarHBondContact O-N 3.42Å
261	K	92.7	Very high	83.8	Confident	165 Å²	165	90.8 Å²	90.8	72%	0.717	45%	0.453	S	S	*	.			trans	-83.7	153.1	-176.5	-67.5	179.1	-178.8	175	0	111.3	Y235 D236 C263	Y235-K261 WeakPolarHBondContact CA-O 3.49Å; D236-K261 PolarHBondContact N-O 2.79Å; D236-K261 PolarHBondContact OD1-N 3.44Å; K261-C263 PolarHBondContact O-N 3.2Å
262	N	91.9	Very high	84.7	Confident	138 Å²	138	86 Å²	86	74%	0.738	44%	0.439	S	S	*	.	B	Isolated β-bridge	trans	-55	124.3	171.6	-71.3	6.2	0	0	0	110	W234 Y235	W234-N262 CarbonylContact O-C 3.51Å; W234-N262 VanDerWaalsContact O-CA 3.27Å; W234-N262 WeakPolarHBondContact O-CA 3.36Å; Y235-N262 VanDerWaalsContact CE1-OD1 3.25Å; Y235-N262 WeakPolarHBondContact CE1-OD1 3.17Å
263	C	90	Very high	85	Confident	29 Å²	29	87.5 Å²	87.5	20%	0.196	45%	0.446	C	S	.	.			trans	-117	157.3	-179.3	67.6	0	0	0	0	111.5	C222 W234 Y235 D236 K261	C222-C263 WeakPolarHBondContact CA-SG 3.48Å; C222-C263 HydrophobicContact CB-CB 3.87Å; C222-C263 WeakPolarHBondContact CB-SG 3.06Å; C222-C263 WeakPolarHBondContact SG-CB 3.45Å; C222-C263 CovalentContact SG-SG 2.03Å; C222-C263 PolarHBondContact SG-SG 2.98Å; W234-C263 WeakPolarHBondContact CB-O 3.39Å; W234-C263 PolarHBondContact O-N 2.85Å; Y235-C263 PolarHBondContact N-SG 2.84Å; Y235-C263 VanDerWaalsContact N-SG 3.41Å; Y235-C263 PolarHBondContact O-SG 2.03Å; D236-C263 HydrophobicContact CB-CB 4.18Å; K261-C263 PolarHBondContact O-N 3.2Å
264	T	85	Confident	85	Confident	126 Å²	126	89.6 Å²	89.6	77%	0.773	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-96.5	124	166.7	51	0	0	0	0	109	C222	C222-T264 VanDerWaalsContact SG-C 3.57Å
265	P	83.4	Confident	84.7	Confident	34 Å²	34	86.7 Å²	86.7	22%	0.221	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-64.4	139.7	177.5	26.7	-34.4	0	0	0	111.1	W234	W234-P265 HydrophobicContact CD2-CB 4.17Å; W234-P265 HydrophobicContact CD2-CG 3.94Å; W234-P265 HydrophobicContact CE3-CB 3.96Å; W234-P265 HydrophobicContact CE3-CG 4.26Å; W234-P265 HydrophobicContact CG-CG 4.41Å; W234-P265 HydrophobicContact CH2-CB 4.28Å; W234-P265 HydrophobicContact CZ2-CB 4.4Å; W234-P265 HydrophobicContact CZ2-CG 4.22Å; W234-P265 HydrophobicContact CZ3-CB 4.03Å
266	V	82	Confident	84.1	Confident	114 Å²	114	88.5 Å²	88.5	69%	0.691	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-81.1	133.4	164.3	-177.9	0	0	0	0	107.4	T268	V266-T268 HydrophobicContact CG1-CG2 4.49Å
267	C	82.6	Confident	83.4	Confident	42 Å²	42	87.3 Å²	87.3	28%	0.284	46%	0.455	S	S	.	.			trans	-118.2	132.1	-174.2	-44.4	0	0	0	0	109.1	Q294 A295 C313	C267-Q294 HydrophobicContact CB-CB 4.4Å; C267-Q294 HydrophobicContact CB-CG 4.07Å; C267-A295 CarbonylContact C-O 3.07Å; C267-A295 WeakPolarHBondContact CA-O 3.44Å; C267-C313 HydrophobicContact CB-CB 3.75Å; C267-C313 WeakPolarHBondContact CB-SG 3.47Å; C267-C313 WeakPolarHBondContact SG-CB 3.34Å; C267-C313 CovalentContact SG-SG 2.03Å; C267-C313 PolarHBondContact SG-SG 3.35Å
268	T	74.3	Confident	82.5	Confident	42 Å²	42	85.6 Å²	85.6	26%	0.258	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-129.5	170.7	-175.1	74.9	0	0	0	0	112	V266 Q294 A295 S297 N298	V266-T268 HydrophobicContact CG1-CG2 4.49Å; T268-Q294 WeakPolarHBondContact O-CG 2.97Å; T268-Q294 PolarHBondContact O-NE2 2.89Å; T268-A295 PolarHBondContact N-O 3.49Å; T268-S297 VanDerWaalsContact OG1-C 3.28Å; T268-S297 WeakPolarHBondContact OG1-CA 3.25Å; T268-N298 WeakPolarHBondContact CB-OD1 3.44Å; T268-N298 PolarHBondContact OG1-N 3.45Å; T268-N298 PolarHBondContact OG1-OD1 3.05Å
269	G	75.5	Confident	81.5	Confident	56 Å²	56	87.2 Å²	87.2	58%	0.577	47%	0.469	S	S	*	.	S	Bend	trans	71.5	-165.4	-173.1	0	0	0	0	0	113.1	Q294	G269-Q294 PolarHBondContact O-NE2 3.09Å
270	R	80.2	Confident	80.2	Confident	222 Å²	222	86.8 Å²	86.8	84%	0.838	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-86.1	151.7	177.5	-67.9	-178.6	178.2	174.2	0.1	110.7
271	W	83.8	Confident	79	Confident	80 Å²	80	87.1 Å²	87.1	30%	0.303	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-66.4	146.2	163.3	-72.7	89.2	0	0	0	110.1	R292 F293 Q294 C313 M315	W271-R292 HydrophobicContact CD2-CG 4.35Å; W271-R292 VanDerWaalsContact CD2-NE 3.35Å; W271-R292 HydrophobicContact CE3-CB 4.39Å; W271-R292 HydrophobicContact CE3-CG 3.62Å; W271-R292 VanDerWaalsContact CG-CZ 3.4Å; W271-R292 HydrophobicContact CZ3-CG 4.18Å; W271-F293 CarbonylContact C-O 3.24Å; W271-F293 WeakPolarHBondContact CA-O 3.42Å; W271-F293 VanDerWaalsContact CE3-C 3.41Å; W271-F293 VanDerWaalsContact CE3-O 3.31Å; W271-Q294 HydrophobicContact CD2-CB 3.77Å; W271-Q294 HydrophobicContact CD2-CG 4.42Å; W271-Q294 HydrophobicContact CE3-CB 3.67Å; W271-Q294 HydrophobicContact CG-CB 4.36Å; W271-Q294 HydrophobicContact CH2-CB 4.02Å; W271-Q294 HydrophobicContact CZ2-CB 4.14Å; W271-Q294 HydrophobicContact CZ3-CB 3.79Å; W271-C313 HydrophobicContact CH2-CB 4.46Å; W271-M315 HydrophobicContact CE3-CB 4.27Å; W271-M315 HydrophobicContact CH2-CB 3.56Å; W271-M315 HydrophobicContact CZ2-CB 4.28Å; W271-M315 HydrophobicContact CZ2-SD 4.45Å; W271-M315 HydrophobicContact CZ3-CB 3.54Å
272	S	84.8	Confident	77.6	Confident	30 Å²	30	80.6 Å²	80.6	21%	0.21	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-58.4	163.8	164	77	0	0	0	0	110.5	F293	S272-F293 PolarHBondContact N-O 3.32Å; S272-F293 PolarHBondContact OG-N 2.88Å
273	E	84.7	Confident	76	Confident	181 Å²	181	76.1 Å²	76.1	85%	0.846	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-58	155.4	160.4	-61.3	-160.6	157.5	0	0	110.6	M275	E273-M275 PolarHBondContact O-N 2.74Å
274	W	83.6	Confident	74.9	Confident	71 Å²	71	81 Å²	81	27%	0.269	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-66.4	124.7	171.5	-73.6	107.7	0	0	0	109.4	R290 R291 R292 M315 T317	W274-R290 VanDerWaalsContact CB-CZ 3.43Å; W274-R290 VanDerWaalsContact CB-NH2 3.3Å; W274-R290 HydrophobicContact CD2-CB 4.38Å; W274-R290 HydrophobicContact CE3-CB 3.67Å; W274-R290 HydrophobicContact CZ3-CB 4.03Å; W274-R290 WeakPolarHBondContact CZ3-O 3.45Å; W274-R290 PolarHBondContact O-NH2 3.19Å; W274-R290 VanDerWaalsContact O-NH2 3.07Å; W274-R291 VanDerWaalsContact CE3-C 3.48Å; W274-R292 HydrophobicContact CD2-CB 4.16Å; W274-R292 HydrophobicContact CD2-CG 4.06Å; W274-R292 HydrophobicContact CE3-CB 3.87Å; W274-R292 HydrophobicContact CE3-CG 3.79Å; W274-R292 HydrophobicContact CH2-CG 4.14Å; W274-R292 HydrophobicContact CZ2-CG 4.38Å; W274-R292 HydrophobicContact CZ3-CB 4.34Å; W274-R292 HydrophobicContact CZ3-CG 3.82Å; W274-M315 HydrophobicContact CH2-CE 3.37Å; W274-M315 HydrophobicContact CZ2-CE 3.4Å; W274-M315 VanDerWaalsContact CZ2-CE 3.4Å; W274-M315 WeakPolarHBondContact CZ3-O 3.5Å; W274-T317 HydrophobicContact CH2-CG2 3.37Å; W274-T317 HydrophobicContact CZ2-CG2 3.91Å; W274-T317 HydrophobicContact CZ3-CG2 3.76Å
275	M	81.7	Confident	74	Confident	55 Å²	55	82 Å²	82	27%	0.271	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-51.2	149.2	175.6	-70.9	-157.9	-67.1	0	0	111.2	E273 R290 R291 F293 E307	E273-M275 PolarHBondContact O-N 2.74Å; M275-R290 PolarHBondContact O-NE 3.07Å; M275-R290 PolarHBondContact O-NH2 3.5Å; M275-R290 VanDerWaalsContact O-NH2 3.07Å; M275-R291 HydrophobicContact CE-CB 3.94Å; M275-R291 PolarHBondContact N-O 2.91Å; M275-F293 HydrophobicContact CE-CE2 3.79Å; M275-F293 HydrophobicContact CE-CZ 3.79Å; M275-F293 HydrophobicContact CG-CE2 4.19Å; M275-F293 HydrophobicContact SD-CE2 3.73Å; M275-F293 HydrophobicContact SD-CZ 4.29Å; M275-E307 HydrophobicContact CE-CB 4.26Å
276	P	72.1	Confident	73.3	Confident	110 Å²	110	80.4 Å²	80.4	71%	0.714	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-56.4	141.9	167.7	26.4	-34.4	0	0	0	108.9
277	P	69.4	Low	73	Confident	35 Å²	35	78.9 Å²	78.9	23%	0.227	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-63.3	139.9	176	28.3	-34.2	0	0	0	110.2	L279 L281 F288	P277-L279 PolarHBondContact O-N 3.15Å; P277-L279 VanDerWaalsContact O-N 3.13Å; P277-L281 HydrophobicContact CB-CD2 3.47Å; P277-L281 VanDerWaalsContact CB-CD2 3.47Å; P277-L281 HydrophobicContact CB-CG 4.01Å; P277-L281 HydrophobicContact CG-CD1 3.91Å; P277-L281 HydrophobicContact CG-CD2 3.64Å; P277-L281 HydrophobicContact CG-CG 3.8Å; P277-F288 HydrophobicContact CB-CD2 3.59Å; P277-F288 HydrophobicContact CB-CE2 3.76Å; P277-F288 HydrophobicContact CG-CE2 4.38Å
278	T	67.5	Low	72.7	Confident	112 Å²	112	78.4 Å²	78.4	69%	0.687	42%	0.419	S	S	*	.			trans	-62.5	113.7	167.9	50.1	0	0	0	0	108.7
279	L	66	Low	73	Confident	110 Å²	110	79.8 Å²	79.8	58%	0.576	43%	0.427	S	S	*	.	S	Bend	trans	-69.7	150.7	175.3	-68.5	174.1	0	0	0	110.8	P277 L281 Y353	P277-L279 PolarHBondContact O-N 3.15Å; P277-L279 VanDerWaalsContact O-N 3.13Å; L279-L281 HydrophobicContact CD2-CB 4.37Å; L279-L281 HydrophobicContact CD2-CD1 4.4Å; L279-L281 HydrophobicContact CD2-CG 4.11Å; L279-Y353 WeakPolarHBondContact CD2-OH 3.21Å
280	P	62.3	Low	73.4	Confident	56 Å²	56	80.3 Å²	80.3	36%	0.364	41%	0.412	S	S	.	.			cis	-81.2	133.3	-0.6	28.9	-31.9	0	0	0	113.9	C282 A283 E329	P280-C282 PolarHBondContact O-N 2.91Å; P280-C282 VanDerWaalsContact O-N 3.15Å; P280-A283 HydrophobicContact CG-CB 4.32Å; P280-A283 PolarHBondContact O-N 2.88Å; P280-E329 WeakPolarHBondContact CB-OE2 3.28Å
281	L	64.7	Low	73.7	Confident	21 Å²	21	73.4 Å²	73.4	11%	0.11	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.3	-179.5	-97.9	173.5	0	0	0	114.7	P277 L279 F288 I321	P277-L281 HydrophobicContact CB-CD2 3.47Å; P277-L281 VanDerWaalsContact CB-CD2 3.47Å; P277-L281 HydrophobicContact CB-CG 4.01Å; P277-L281 HydrophobicContact CG-CD1 3.91Å; P277-L281 HydrophobicContact CG-CD2 3.64Å; P277-L281 HydrophobicContact CG-CG 3.8Å; L279-L281 HydrophobicContact CD2-CB 4.37Å; L279-L281 HydrophobicContact CD2-CD1 4.4Å; L279-L281 HydrophobicContact CD2-CG 4.11Å; L281-F288 HydrophobicContact CD2-CB 4.13Å; L281-F288 HydrophobicContact CD2-CD1 3.57Å; L281-F288 HydrophobicContact CD2-CD2 3.48Å; L281-F288 VanDerWaalsContact CD2-CD2 3.48Å; L281-F288 HydrophobicContact CD2-CE1 3.69Å; L281-F288 HydrophobicContact CD2-CE2 3.57Å; L281-F288 HydrophobicContact CD2-CG 3.46Å; L281-F288 VanDerWaalsContact CD2-CG 3.46Å; L281-F288 HydrophobicContact CD2-CZ 3.68Å; L281-I321 HydrophobicContact CB-CD1 4.12Å; L281-I321 HydrophobicContact CD1-CD1 4.2Å; L281-I321 HydrophobicContact CD2-CD1 3.98Å; L281-I321 HydrophobicContact CG-CD1 4.34Å
282	C	63.6	Low	73.9	Confident	29 Å²	29	72.2 Å²	72.2	20%	0.196	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	0.9	-172.1	-57.1	0	0	0	0	113.6	P280 G286 C324 Y327	P280-C282 PolarHBondContact O-N 2.91Å; P280-C282 VanDerWaalsContact O-N 3.15Å; C282-G286 PolarHBondContact O-N 2.99Å; C282-C324 HydrophobicContact CB-CB 4.14Å; C282-C324 VanDerWaalsContact CB-SG 3.58Å; C282-C324 PolarHBondContact SG-SG 3.4Å; C282-Y327 HydrophobicContact CB-CD1 3.55Å; C282-Y327 HydrophobicContact CB-CE1 4.36Å; C282-Y327 HydrophobicContact CB-CG 3.85Å; C282-Y327 VanDerWaalsContact SG-CB 3.54Å; C282-Y327 VanDerWaalsContact SG-CD1 3.57Å
283	A	59.6	Low	74.1	Confident	43 Å²	43	71.1 Å²	71.1	36%	0.355	37%	0.373	S	S	.	.	H	α-helix	trans	-59	158.8	170.4	0	0	0	0	0	111.8	P280 N285 G286 K287	P280-A283 HydrophobicContact CG-CB 4.32Å; P280-A283 PolarHBondContact O-N 2.88Å; A283-N285 VanDerWaalsContact C-N 3.32Å; A283-N285 PolarHBondContact O-N 3.44Å; A283-G286 PolarHBondContact O-N 3.11Å; A283-G286 VanDerWaalsContact O-N 3.09Å; A283-K287 PolarHBondContact O-N 3.39Å
284	N	65.4	Low	74.2	Confident	131 Å²	131	63.5 Å²	63.5	70%	0.701	34%	0.337	S	S	*	.	H	α-helix	trans	52.4	43.4	174.5	-57.6	-35.3	0	0	0	114.2	K287	N284-K287 WeakPolarHBondContact O-CB 3.39Å; N284-K287 PolarHBondContact O-N 3.42Å
285	N	66.7	Low	73.9	Confident	148 Å²	148	60.4 Å²	60.4	79%	0.791	33%	0.326	S	S	*	.	H	α-helix	trans	59.8	44.4	-176.5	-52	-15.7	0	0	0	112.8	A283 K287	A283-N285 VanDerWaalsContact C-N 3.32Å; A283-N285 PolarHBondContact O-N 3.44Å; N285-K287 PolarHBondContact O-N 3.14Å
286	G	68.6	Low	73.3	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	69.6	9.3	-179.6	0	0	0	0	0	115.1	C282 A283 I320 I321 C324	C282-G286 PolarHBondContact O-N 2.99Å; A283-G286 PolarHBondContact O-N 3.11Å; A283-G286 VanDerWaalsContact O-N 3.09Å; G286-I320 CarbonylContact O-C 3.45Å; G286-I320 WeakPolarHBondContact O-CA 3.43Å; G286-I321 PolarHBondContact O-N 3.08Å; G286-C324 WeakPolarHBondContact CA-SG 3.49Å
287	K	75.6	Confident	73.1	Confident	83 Å²	83	56.2 Å²	56.2	36%	0.361	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	113.3	177.7	-76.9	171.5	156.4	-78.4	0	110.7	A283 N284 N285 E318 H319 I320	A283-K287 PolarHBondContact O-N 3.39Å; N284-K287 WeakPolarHBondContact O-CB 3.39Å; N284-K287 PolarHBondContact O-N 3.42Å; N285-K287 PolarHBondContact O-N 3.14Å; K287-E318 IonicContact NZ-OE1 2.67Å; K287-E318 PolarHBondContact NZ-OE1 3.45Å; K287-E318 IonicContact NZ-OE2 2.88Å; K287-E318 PolarHBondContact NZ-OE2 3Å; K287-H319 WeakPolarHBondContact CA-O 3.4Å; K287-I320 HydrophobicContact CG-CD1 4.4Å; K287-I320 HydrophobicContact CG-CG1 4.07Å
288	F	77.7	Confident	72.6	Confident	32 Å²	32	61.3 Å²	61.3	14%	0.14	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.9	175.6	73.2	-77.2	0	0	0	111.3	P277 L281 R290 H319 I321	P277-F288 HydrophobicContact CB-CD2 3.59Å; P277-F288 HydrophobicContact CB-CE2 3.76Å; P277-F288 HydrophobicContact CG-CE2 4.38Å; L281-F288 HydrophobicContact CD2-CB 4.13Å; L281-F288 HydrophobicContact CD2-CD1 3.57Å; L281-F288 HydrophobicContact CD2-CD2 3.48Å; L281-F288 VanDerWaalsContact CD2-CD2 3.48Å; L281-F288 HydrophobicContact CD2-CE1 3.69Å; L281-F288 HydrophobicContact CD2-CE2 3.57Å; L281-F288 HydrophobicContact CD2-CG 3.46Å; L281-F288 VanDerWaalsContact CD2-CG 3.46Å; L281-F288 HydrophobicContact CD2-CZ 3.68Å; F288-R290 HydrophobicContact CD2-CG 3.86Å; F288-R290 HydrophobicContact CE2-CG 3.44Å; F288-R290 VanDerWaalsContact CE2-CG 3.44Å; F288-R290 HydrophobicContact CZ-CG 4.45Å; F288-H319 HydrophobicContact CD1-CB 3.82Å; F288-H319 HydrophobicContact CE1-CB 3.29Å; F288-H319 HydrophobicContact CE2-CB 4.12Å; F288-H319 HydrophobicContact CG-CB 4.4Å; F288-H319 HydrophobicContact CZ-CB 3.49Å; F288-H319 VanDerWaalsContact CZ-CB 3.49Å; F288-H319 AromaticContact CZ-CG 3.94Å; F288-H319 PolarHBondContact N-O 2.8Å; F288-H319 PolarHBondContact O-N 2.96Å; F288-I321 HydrophobicContact CD1-CD1 4.37Å; F288-I321 HydrophobicContact CD1-CG1 4.15Å; F288-I321 HydrophobicContact CE1-CD1 3.88Å; F288-I321 HydrophobicContact CE1-CG1 3.63Å
289	T	80.3	Confident	72.2	Confident	70 Å²	70	64.1 Å²	64.1	43%	0.429	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122	175.8	-62.9	0	0	0	0	109.6	R291 T317	T289-R291 HydrophobicContact CG2-CG 4.18Å; T289-T317 WeakPolarHBondContact CA-O 3.45Å
290	R	83.5	Confident	72	Confident	68 Å²	68	61.8 Å²	61.8	26%	0.257	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	149.6	165.4	-62.5	-168.7	80.7	178.9	2.5	109.9	W274 M275 F288 S316 T317	W274-R290 VanDerWaalsContact CB-CZ 3.43Å; W274-R290 VanDerWaalsContact CB-NH2 3.3Å; W274-R290 HydrophobicContact CD2-CB 4.38Å; W274-R290 HydrophobicContact CE3-CB 3.67Å; W274-R290 HydrophobicContact CZ3-CB 4.03Å; W274-R290 WeakPolarHBondContact CZ3-O 3.45Å; W274-R290 PolarHBondContact O-NH2 3.19Å; W274-R290 VanDerWaalsContact O-NH2 3.07Å; M275-R290 PolarHBondContact O-NE 3.07Å; M275-R290 PolarHBondContact O-NH2 3.5Å; M275-R290 VanDerWaalsContact O-NH2 3.07Å; F288-R290 HydrophobicContact CD2-CG 3.86Å; F288-R290 HydrophobicContact CE2-CG 3.44Å; F288-R290 VanDerWaalsContact CE2-CG 3.44Å; F288-R290 HydrophobicContact CZ-CG 4.45Å; R290-S316 VanDerWaalsContact O-CA 3.31Å; R290-S316 WeakPolarHBondContact O-CA 3.35Å; R290-T317 HydrophobicContact CB-CG2 4.26Å; R290-T317 PolarHBondContact N-O 2.83Å; R290-T317 PolarHBondContact O-N 3.46Å
291	R	86.8	Confident	71.9	Confident	76 Å²	76	63 Å²	63	29%	0.287	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	152.9	173.7	-53.9	-168.7	-153	149.7	24.6	111.4	W274 M275 T289 E307 M315	W274-R291 VanDerWaalsContact CE3-C 3.48Å; M275-R291 HydrophobicContact CE-CB 3.94Å; M275-R291 PolarHBondContact N-O 2.91Å; T289-R291 HydrophobicContact CG2-CG 4.18Å; R291-E307 IonicContact CZ-OE1 2.7Å; R291-E307 IonicContact NH1-OE1 2.68Å; R291-E307 PolarHBondContact NH1-OE1 3.07Å; R291-E307 IonicContact NH1-OE2 2.83Å; R291-E307 IonicContact NH2-OE1 3.16Å; R291-E307 PolarHBondContact NH2-OE1 2.83Å; R291-M315 VanDerWaalsContact CA-O 3.31Å; R291-M315 WeakPolarHBondContact CA-O 3.36Å
292	R	88.4	Confident	71.7	Confident	56 Å²	56	63.7 Å²	63.7	21%	0.211	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	161.4	171.6	62.1	172.7	-161.6	179.7	0.7	110	W271 W274 M315	W271-R292 HydrophobicContact CD2-CG 4.35Å; W271-R292 VanDerWaalsContact CD2-NE 3.35Å; W271-R292 HydrophobicContact CE3-CB 4.39Å; W271-R292 HydrophobicContact CE3-CG 3.62Å; W271-R292 VanDerWaalsContact CG-CZ 3.4Å; W271-R292 HydrophobicContact CZ3-CG 4.18Å; W274-R292 HydrophobicContact CD2-CB 4.16Å; W274-R292 HydrophobicContact CD2-CG 4.06Å; W274-R292 HydrophobicContact CE3-CB 3.87Å; W274-R292 HydrophobicContact CE3-CG 3.79Å; W274-R292 HydrophobicContact CH2-CG 4.14Å; W274-R292 HydrophobicContact CZ2-CG 4.38Å; W274-R292 HydrophobicContact CZ3-CB 4.34Å; W274-R292 HydrophobicContact CZ3-CG 3.82Å; R292-M315 HydrophobicContact CG-CB 4.15Å; R292-M315 PolarHBondContact N-O 2.94Å; R292-M315 PolarHBondContact NH2-SD 3.14Å; R292-M315 VanDerWaalsContact NH2-SD 3.4Å; R292-M315 PolarHBondContact O-N 3.08Å
293	F	88.1	Confident	71.5	Confident	7 Å²	7	70 Å²	70	3%	0.031	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	160.4	-174.3	-52	-76.5	0	0	0	113.1	W271 S272 M275 C305 N306 E307 C313 Q314	W271-F293 CarbonylContact C-O 3.24Å; W271-F293 WeakPolarHBondContact CA-O 3.42Å; W271-F293 VanDerWaalsContact CE3-C 3.41Å; W271-F293 VanDerWaalsContact CE3-O 3.31Å; S272-F293 PolarHBondContact N-O 3.32Å; S272-F293 PolarHBondContact OG-N 2.88Å; M275-F293 HydrophobicContact CE-CE2 3.79Å; M275-F293 HydrophobicContact CE-CZ 3.79Å; M275-F293 HydrophobicContact CG-CE2 4.19Å; M275-F293 HydrophobicContact SD-CE2 3.73Å; M275-F293 HydrophobicContact SD-CZ 4.29Å; F293-C305 HydrophobicContact CB-CB 3.6Å; F293-C305 HydrophobicContact CG-CB 4.15Å; F293-N306 VanDerWaalsContact CZ-C 3.43Å; F293-E307 HydrophobicContact CZ-CB 4.16Å; F293-E307 VanDerWaalsContact CZ-N 3.35Å; F293-C313 CarbonylContact C-O 3.52Å; F293-C313 WeakPolarHBondContact CA-O 3.37Å; F293-Q314 HydrophobicContact CD1-CB 3.92Å; F293-Q314 HydrophobicContact CE1-CB 3.99Å
294	Q	85.7	Confident	71.9	Confident	21 Å²	21	73.8 Å²	73.8	10%	0.098	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146	173.6	-172.4	-179.6	19.6	0	0	109.5	C267 T268 G269 W271 C313	C267-Q294 HydrophobicContact CB-CB 4.4Å; C267-Q294 HydrophobicContact CB-CG 4.07Å; T268-Q294 WeakPolarHBondContact O-CG 2.97Å; T268-Q294 PolarHBondContact O-NE2 2.89Å; G269-Q294 PolarHBondContact O-NE2 3.09Å; W271-Q294 HydrophobicContact CD2-CB 3.77Å; W271-Q294 HydrophobicContact CD2-CG 4.42Å; W271-Q294 HydrophobicContact CE3-CB 3.67Å; W271-Q294 HydrophobicContact CG-CB 4.36Å; W271-Q294 HydrophobicContact CH2-CB 4.02Å; W271-Q294 HydrophobicContact CZ2-CB 4.14Å; W271-Q294 HydrophobicContact CZ3-CB 3.79Å; Q294-C313 HydrophobicContact CB-CB 4.16Å; Q294-C313 PolarHBondContact N-O 3.04Å; Q294-C313 WeakPolarHBondContact O-CB 3.02Å; Q294-C313 PolarHBondContact O-N 3.38Å
295	A	77.5	Confident	72.2	Confident	6 Å²	6	68.1 Å²	68.1	5%	0.05	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-68.3	159.3	175.6	0	0	0	0	0	111.8	C267 T268 K300	C267-A295 CarbonylContact C-O 3.07Å; C267-A295 WeakPolarHBondContact CA-O 3.44Å; T268-A295 PolarHBondContact N-O 3.49Å; A295-K300 HydrophobicContact CB-CB 4.14Å; A295-K300 VanDerWaalsContact CB-O 3.28Å; A295-K300 WeakPolarHBondContact CB-O 3.46Å
296	Q	70.5	Confident	72.7	Confident	41 Å²	41	64.6 Å²	64.6	19%	0.192	32%	0.317	C	S	.	.	S	Bend	trans	-93	-27.4	179	-54.8	-146.3	-86.7	0	0	113.7	W234 S311	W234-Q296 VanDerWaalsContact CH2-OE1 3.24Å; Q296-S311 VanDerWaalsContact CD-O 3.27Å; Q296-S311 WeakPolarHBondContact CG-O 3.5Å; Q296-S311 PolarHBondContact OE1-O 3.05Å; Q296-S311 VanDerWaalsContact OE1-O 3.09Å
297	S	67.7	Low	73	Confident	36 Å²	36	68.8 Å²	68.8	25%	0.252	34%	0.336	S	S	.	.	S	Bend	trans	-145.6	159.4	178.6	65.4	0	0	0	0	107.4	T268 E299 K300	T268-S297 VanDerWaalsContact OG1-C 3.28Å; T268-S297 WeakPolarHBondContact OG1-CA 3.25Å; S297-E299 PolarHBondContact O-N 3.35Å; S297-K300 PolarHBondContact O-N 2.91Å; S297-K300 VanDerWaalsContact O-N 3.14Å
298	N	58.8	Low	73	Confident	142 Å²	142	71.8 Å²	71.8	76%	0.759	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-4.6	178.4	-56.9	-10.7	0	0	0	112.9	T268	T268-N298 WeakPolarHBondContact CB-OD1 3.44Å; T268-N298 PolarHBondContact OG1-N 3.45Å; T268-N298 PolarHBondContact OG1-OD1 3.05Å
299	E	58.7	Low	72.9	Confident	170 Å²	170	72.5 Å²	72.5	79%	0.794	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-22.9	176.2	-55.8	170.8	143.7	0	0	112.8	S297	S297-E299 PolarHBondContact O-N 3.35Å
300	K	61.6	Low	72.8	Confident	61 Å²	61	74.3 Å²	74.3	27%	0.265	36%	0.363	S	S	.	.	S	Bend	trans	-85.8	118.6	173	-94.8	-163.1	169.6	-160.3	0	108.9	A295 S297 V302 D309 S311	A295-K300 HydrophobicContact CB-CB 4.14Å; A295-K300 VanDerWaalsContact CB-O 3.28Å; A295-K300 WeakPolarHBondContact CB-O 3.46Å; S297-K300 PolarHBondContact O-N 2.91Å; S297-K300 VanDerWaalsContact O-N 3.14Å; K300-V302 PolarHBondContact O-N 3.37Å; K300-D309 IonicContact NZ-OD2 3.75Å; K300-D309 PolarHBondContact NZ-OD2 3.12Å; K300-D309 VanDerWaalsContact NZ-OD2 3.15Å; K300-S311 PolarHBondContact NZ-O 2.81Å; K300-S311 PolarHBondContact NZ-OG 3Å
301	D	59.8	Low	72.4	Confident	83 Å²	83	72.6 Å²	72.6	44%	0.444	36%	0.362	S	S	.	.			trans	-63.9	130.4	167.6	-173.2	-6.2	0	0	0	110.1	H303 L304	D301-H303 PolarHBondContact O-N 2.92Å; D301-H303 WeakPolarHBondContact OD1-CB 3.5Å; D301-H303 IonicContact OD1-CD2 3.82Å; D301-H303 PolarHBondContact OD1-CD2 3.09Å; D301-H303 IonicContact OD1-CG 3.1Å; D301-H303 PolarHBondContact OD1-N 3.12Å; D301-H303 IonicContact OD2-CD2 2.68Å; D301-L304 HydrophobicContact CB-CD1 4.2Å; D301-L304 HydrophobicContact CB-CG 4.24Å; D301-L304 WeakPolarHBondContact O-CB 3.37Å; D301-L304 PolarHBondContact O-N 3.08Å; D301-L304 VanDerWaalsContact O-N 3.17Å
302	V	61.3	Low	72.2	Confident	35 Å²	35	69.1 Å²	69.1	21%	0.212	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-67.1	-21.5	177.5	83.6	0	0	0	0	111.9	K300 L304 C305	K300-V302 PolarHBondContact O-N 3.37Å; V302-L304 PolarHBondContact O-N 3.05Å; V302-C305 WeakPolarHBondContact O-CB 3.29Å; V302-C305 PolarHBondContact O-N 3.18Å; V302-C305 VanDerWaalsContact O-N 3.09Å
303	H	59.9	Low	72	Confident	161 Å²	161	66.8 Å²	66.8	75%	0.745	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-70.4	-13.8	174.5	-64.8	-67.6	0	0	0	113.7	D301	D301-H303 PolarHBondContact O-N 2.92Å; D301-H303 WeakPolarHBondContact OD1-CB 3.5Å; D301-H303 IonicContact OD1-CD2 3.82Å; D301-H303 PolarHBondContact OD1-CD2 3.09Å; D301-H303 IonicContact OD1-CG 3.1Å; D301-H303 PolarHBondContact OD1-N 3.12Å; D301-H303 IonicContact OD2-CD2 2.68Å
304	L	66.7	Low	71.9	Confident	122 Å²	122	72.5 Å²	72.5	64%	0.639	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-82.1	-17.7	169.9	-61.7	171.8	0	0	0	112.4	D301 V302	D301-L304 HydrophobicContact CB-CD1 4.2Å; D301-L304 HydrophobicContact CB-CG 4.24Å; D301-L304 WeakPolarHBondContact O-CB 3.37Å; D301-L304 PolarHBondContact O-N 3.08Å; D301-L304 VanDerWaalsContact O-N 3.17Å; V302-L304 PolarHBondContact O-N 3.05Å
305	C	73.1	Confident	71.9	Confident	13 Å²	13	74.7 Å²	74.7	9%	0.088	38%	0.379	C	S	.	.			trans	-79.3	121	-179.7	-63	0	0	0	0	112	F293 V302 C312	F293-C305 HydrophobicContact CB-CB 3.6Å; F293-C305 HydrophobicContact CG-CB 4.15Å; V302-C305 WeakPolarHBondContact O-CB 3.29Å; V302-C305 PolarHBondContact O-N 3.18Å; V302-C305 VanDerWaalsContact O-N 3.09Å; C305-C312 WeakPolarHBondContact CA-SG 3.01Å; C305-C312 HydrophobicContact CB-CB 3.57Å; C305-C312 WeakPolarHBondContact CB-SG 3.47Å; C305-C312 WeakPolarHBondContact SG-CB 3.47Å; C305-C312 CovalentContact SG-SG 2.03Å; C305-C312 PolarHBondContact SG-SG 3.4Å
306	N	76.1	Confident	72.3	Confident	74 Å²	74	78.1 Å²	78.1	40%	0.396	40%	0.403	S	S	.	.			trans	-143.4	-178.4	173.4	63.6	56.3	0	0	0	110.4	F293 N308 D309	F293-N306 VanDerWaalsContact CZ-C 3.43Å; N306-N308 PolarHBondContact O-N 2.86Å; N306-N308 VanDerWaalsContact O-N 3.09Å; N306-N308 WeakPolarHBondContact OD1-CA 3.42Å; N306-N308 VanDerWaalsContact OD1-CB 3.28Å; N306-N308 WeakPolarHBondContact OD1-CB 3.31Å; N306-N308 PolarHBondContact OD1-N 3Å; N306-D309 PolarHBondContact O-N 2.03Å; N306-D309 PolarHBondContact OD1-N 3.25Å
307	E	74.7	Confident	73.1	Confident	88 Å²	88	78.7 Å²	78.7	41%	0.411	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.4	-177.3	-175.2	160.7	177.7	0	0	114.4	M275 R291 F293	M275-E307 HydrophobicContact CE-CB 4.26Å; R291-E307 IonicContact CZ-OE1 2.7Å; R291-E307 IonicContact NH1-OE1 2.68Å; R291-E307 PolarHBondContact NH1-OE1 3.07Å; R291-E307 IonicContact NH1-OE2 2.83Å; R291-E307 IonicContact NH2-OE1 3.16Å; R291-E307 PolarHBondContact NH2-OE1 2.83Å; F293-E307 HydrophobicContact CZ-CB 4.16Å; F293-E307 VanDerWaalsContact CZ-N 3.35Å
308	N	75.6	Confident	73.8	Confident	146 Å²	146	82 Å²	82	78%	0.781	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-29	176.8	-54	-51.7	0	0	0	112.7	N306 K310	N306-N308 PolarHBondContact O-N 2.86Å; N306-N308 VanDerWaalsContact O-N 3.09Å; N306-N308 WeakPolarHBondContact OD1-CA 3.42Å; N306-N308 VanDerWaalsContact OD1-CB 3.28Å; N306-N308 WeakPolarHBondContact OD1-CB 3.31Å; N306-N308 PolarHBondContact OD1-N 3Å; N308-K310 PolarHBondContact O-N 2.55Å
309	D	76.6	Confident	74.8	Confident	46 Å²	46	78.7 Å²	78.7	25%	0.246	40%	0.4	C	S	.	.			trans	-81.1	83.7	175.8	-171.1	11.2	0	0	0	111.9	K300 N306 S311 C312	K300-D309 IonicContact NZ-OD2 3.75Å; K300-D309 PolarHBondContact NZ-OD2 3.12Å; K300-D309 VanDerWaalsContact NZ-OD2 3.15Å; N306-D309 PolarHBondContact O-N 2.03Å; N306-D309 PolarHBondContact OD1-N 3.25Å; D309-S311 VanDerWaalsContact CG-OG 3.28Å; D309-S311 PolarHBondContact O-N 3.17Å; D309-S311 VanDerWaalsContact O-N 3.07Å; D309-S311 WeakPolarHBondContact OD1-CA 3.33Å; D309-S311 VanDerWaalsContact OD1-CB 3.25Å; D309-S311 WeakPolarHBondContact OD1-CB 3.18Å; D309-S311 PolarHBondContact OD1-N 3.32Å; D309-S311 PolarHBondContact OD1-OG 2.91Å; D309-S311 PolarHBondContact OD2-OG 3.17Å; D309-C312 PolarHBondContact O-N 3.21Å; D309-C312 PolarHBondContact OD2-SG 3.01Å
310	K	77.4	Confident	75.5	Confident	108 Å²	108	74.8 Å²	74.8	47%	0.47	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-10	171.4	-58.8	-177	-173.3	174.2	0	114	Y224 W234 N308 C312	Y224-K310 HydrophobicContact CD1-CB 3.72Å; Y224-K310 HydrophobicContact CD2-CB 4.42Å; Y224-K310 HydrophobicContact CE1-CB 3.45Å; Y224-K310 VanDerWaalsContact CE1-CB 3.45Å; Y224-K310 HydrophobicContact CE1-CD 3.76Å; Y224-K310 HydrophobicContact CE1-CG 4.26Å; Y224-K310 HydrophobicContact CE2-CB 4.22Å; Y224-K310 HydrophobicContact CG-CB 4.2Å; Y224-K310 WeakPolarHBondContact OH-CD 3.3Å; W234-K310 VanDerWaalsContact CZ2-O 3.31Å; W234-K310 WeakPolarHBondContact CZ2-O 3.25Å; N308-K310 PolarHBondContact O-N 2.55Å; K310-C312 VanDerWaalsContact C-N 3.33Å
311	S	75.1	Confident	76	Confident	32 Å²	32	74.4 Å²	74.4	22%	0.224	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	11.7	172.8	80.2	0	0	0	0	113.9	Q296 K300 D309	Q296-S311 VanDerWaalsContact CD-O 3.27Å; Q296-S311 WeakPolarHBondContact CG-O 3.5Å; Q296-S311 PolarHBondContact OE1-O 3.05Å; Q296-S311 VanDerWaalsContact OE1-O 3.09Å; K300-S311 PolarHBondContact NZ-O 2.81Å; K300-S311 PolarHBondContact NZ-OG 3Å; D309-S311 VanDerWaalsContact CG-OG 3.28Å; D309-S311 PolarHBondContact O-N 3.17Å; D309-S311 VanDerWaalsContact O-N 3.07Å; D309-S311 WeakPolarHBondContact OD1-CA 3.33Å; D309-S311 VanDerWaalsContact OD1-CB 3.25Å; D309-S311 WeakPolarHBondContact OD1-CB 3.18Å; D309-S311 PolarHBondContact OD1-N 3.32Å; D309-S311 PolarHBondContact OD1-OG 2.91Å; D309-S311 PolarHBondContact OD2-OG 3.17Å
312	C	83.1	Confident	76.1	Confident	4 Å²	4	76.7 Å²	76.7	3%	0.027	40%	0.397	C	S	.	.	S	Bend	trans	-100.6	155.7	161.6	-71.1	0	0	0	0	111.5	C305 D309 K310	C305-C312 WeakPolarHBondContact CA-SG 3.01Å; C305-C312 HydrophobicContact CB-CB 3.57Å; C305-C312 WeakPolarHBondContact CB-SG 3.47Å; C305-C312 WeakPolarHBondContact SG-CB 3.47Å; C305-C312 CovalentContact SG-SG 2.03Å; C305-C312 PolarHBondContact SG-SG 3.4Å; D309-C312 PolarHBondContact O-N 3.21Å; D309-C312 PolarHBondContact OD2-SG 3.01Å; K310-C312 VanDerWaalsContact C-N 3.33Å
313	C	83.6	Confident	76.1	Confident	7 Å²	7	81.8 Å²	81.8	5%	0.047	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	132.2	170.5	-65.8	0	0	0	0	109.3	C267 W271 F293 Q294	C267-C313 HydrophobicContact CB-CB 3.75Å; C267-C313 WeakPolarHBondContact CB-SG 3.47Å; C267-C313 WeakPolarHBondContact SG-CB 3.34Å; C267-C313 CovalentContact SG-SG 2.03Å; C267-C313 PolarHBondContact SG-SG 3.35Å; W271-C313 HydrophobicContact CH2-CB 4.46Å; F293-C313 CarbonylContact C-O 3.52Å; F293-C313 WeakPolarHBondContact CA-O 3.37Å; Q294-C313 HydrophobicContact CB-CB 4.16Å; Q294-C313 PolarHBondContact N-O 3.04Å; Q294-C313 WeakPolarHBondContact O-CB 3.02Å; Q294-C313 PolarHBondContact O-N 3.38Å
314	Q	86.5	Confident	76.2	Confident	126 Å²	126	75.4 Å²	75.4	59%	0.589	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	146	178.4	59.5	171.6	-16.7	0	0	111.3	F293	F293-Q314 HydrophobicContact CD1-CB 3.92Å; F293-Q314 HydrophobicContact CE1-CB 3.99Å
315	M	85	Confident	75.6	Confident	68 Å²	68	79.4 Å²	79.4	34%	0.335	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	123.6	170.9	-169.1	-179.5	104.9	0	0	109.1	W271 W274 R291 R292	W271-M315 HydrophobicContact CE3-CB 4.27Å; W271-M315 HydrophobicContact CH2-CB 3.56Å; W271-M315 HydrophobicContact CZ2-CB 4.28Å; W271-M315 HydrophobicContact CZ2-SD 4.45Å; W271-M315 HydrophobicContact CZ3-CB 3.54Å; W274-M315 HydrophobicContact CH2-CE 3.37Å; W274-M315 HydrophobicContact CZ2-CE 3.4Å; W274-M315 VanDerWaalsContact CZ2-CE 3.4Å; W274-M315 WeakPolarHBondContact CZ3-O 3.5Å; R291-M315 VanDerWaalsContact CA-O 3.31Å; R291-M315 WeakPolarHBondContact CA-O 3.36Å; R292-M315 HydrophobicContact CG-CB 4.15Å; R292-M315 PolarHBondContact N-O 2.94Å; R292-M315 PolarHBondContact NH2-SD 3.14Å; R292-M315 VanDerWaalsContact NH2-SD 3.4Å; R292-M315 PolarHBondContact O-N 3.08Å
316	S	87.7	Confident	74.5	Confident	78 Å²	78	85 Å²	85	55%	0.545	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	146.9	175.5	51.6	0	0	0	0	110.9	R290	R290-S316 VanDerWaalsContact O-CA 3.31Å; R290-S316 WeakPolarHBondContact O-CA 3.35Å
317	T	85.3	Confident	73.1	Confident	52 Å²	52	83.9 Å²	83.9	32%	0.319	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	137.7	168.3	-169.5	0	0	0	0	109.6	W274 T289 R290 H319	W274-T317 HydrophobicContact CH2-CG2 3.37Å; W274-T317 HydrophobicContact CZ2-CG2 3.91Å; W274-T317 HydrophobicContact CZ3-CG2 3.76Å; T289-T317 WeakPolarHBondContact CA-O 3.45Å; R290-T317 HydrophobicContact CB-CG2 4.26Å; R290-T317 PolarHBondContact N-O 2.83Å; R290-T317 PolarHBondContact O-N 3.46Å; T317-H319 WeakPolarHBondContact CG2-NE2 3.44Å
318	E	83.8	Confident	72.2	Confident	105 Å²	105	83 Å²	83	49%	0.491	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	137.6	167.1	-167	-178.5	-129.3	0	0	108.6	K287	K287-E318 IonicContact NZ-OE1 2.67Å; K287-E318 PolarHBondContact NZ-OE1 3.45Å; K287-E318 IonicContact NZ-OE2 2.88Å; K287-E318 PolarHBondContact NZ-OE2 3Å
319	H	78.8	Confident	71.1	Confident	74 Å²	74	80 Å²	80	34%	0.343	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150.3	165.7	-74.4	-88.9	0	0	0	108.6	K287 F288 T317	K287-H319 WeakPolarHBondContact CA-O 3.4Å; F288-H319 HydrophobicContact CD1-CB 3.82Å; F288-H319 HydrophobicContact CE1-CB 3.29Å; F288-H319 HydrophobicContact CE2-CB 4.12Å; F288-H319 HydrophobicContact CG-CB 4.4Å; F288-H319 HydrophobicContact CZ-CB 3.49Å; F288-H319 VanDerWaalsContact CZ-CB 3.49Å; F288-H319 AromaticContact CZ-CG 3.94Å; F288-H319 PolarHBondContact N-O 2.8Å; F288-H319 PolarHBondContact O-N 2.96Å; T317-H319 WeakPolarHBondContact CG2-NE2 3.44Å
320	I	74.9	Confident	70	Confident	87 Å²	87	81 Å²	81	45%	0.446	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.9	172.6	-47.7	-173.4	0	0	0	107.2	G286 K287	G286-I320 CarbonylContact O-C 3.45Å; G286-I320 WeakPolarHBondContact O-CA 3.43Å; K287-I320 HydrophobicContact CG-CD1 4.4Å; K287-I320 HydrophobicContact CG-CG1 4.07Å
321	I	70.3	Confident	68.9	Low	53 Å²	53	80 Å²	80	27%	0.272	41%	0.413	S	S	.	.			trans	-95.6	103.2	166.3	-57.2	-173.1	0	0	0	107.2	L281 G286 F288 D323 C324	L281-I321 HydrophobicContact CB-CD1 4.12Å; L281-I321 HydrophobicContact CD1-CD1 4.2Å; L281-I321 HydrophobicContact CD2-CD1 3.98Å; L281-I321 HydrophobicContact CG-CD1 4.34Å; G286-I321 PolarHBondContact O-N 3.08Å; F288-I321 HydrophobicContact CD1-CD1 4.37Å; F288-I321 HydrophobicContact CD1-CG1 4.15Å; F288-I321 HydrophobicContact CE1-CD1 3.88Å; F288-I321 HydrophobicContact CE1-CG1 3.63Å; I321-D323 PolarHBondContact O-N 2.94Å; I321-C324 PolarHBondContact O-SG 3.04Å
322	D	62	Low	67.9	Low	132 Å²	132	79.7 Å²	79.7	71%	0.706	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.3	179.1	-64.3	-40.1	0	0	0	112.8	Y325	D322-Y325 WeakPolarHBondContact O-CD2 3.44Å; D322-Y325 WeakPolarHBondContact O-CE2 3.49Å
323	D	61.5	Low	66.5	Low	142 Å²	142	84.6 Å²	84.6	76%	0.759	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	33.3	-176.3	-154.3	18.6	0	0	0	113.4	I321 Y325	I321-D323 PolarHBondContact O-N 2.94Å; D323-Y325 PolarHBondContact O-N 2.95Å
324	C	62	Low	65.1	Low	26 Å²	26	90.5 Å²	90.5	18%	0.176	46%	0.464	C	S	.	.			trans	-75.3	2.6	175.2	-72	0	0	0	0	114.3	C282 G286 I321 D326 Y327	C282-C324 HydrophobicContact CB-CB 4.14Å; C282-C324 VanDerWaalsContact CB-SG 3.58Å; C282-C324 PolarHBondContact SG-SG 3.4Å; G286-C324 WeakPolarHBondContact CA-SG 3.49Å; I321-C324 PolarHBondContact O-SG 3.04Å; C324-D326 VanDerWaalsContact C-N 3.29Å; C324-D326 PolarHBondContact O-N 3.03Å; C324-Y327 PolarHBondContact O-N 3.05Å; C324-Y327 VanDerWaalsContact O-N 3.08Å
325	Y	53.8	Low	64	Low	207 Å²	207	85.2 Å²	85.2	81%	0.812	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.9	-164	-76.1	-73.3	0	0	0	115.9	D322 D323	D322-Y325 WeakPolarHBondContact O-CD2 3.44Å; D322-Y325 WeakPolarHBondContact O-CE2 3.49Å; D323-Y325 PolarHBondContact O-N 2.95Å
326	D	50	Low	62.9	Low	130 Å²	130	88 Å²	88	70%	0.695	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-4.3	173.8	-84.8	-40.1	0	0	0	114	C324 D328	C324-D326 VanDerWaalsContact C-N 3.29Å; C324-D326 PolarHBondContact O-N 3.03Å; D326-D328 PolarHBondContact O-N 3.38Å
327	Y	47.9	Very low	61.4	Low	51 Å²	51	88.9 Å²	88.9	20%	0.2	46%	0.463	C	S	.	.			trans	-85.8	90	-166.5	-159.6	-82.5	0	0	0	113.6	C282 C324 E329 T332 Y353	C282-Y327 HydrophobicContact CB-CD1 3.55Å; C282-Y327 HydrophobicContact CB-CE1 4.36Å; C282-Y327 HydrophobicContact CB-CG 3.85Å; C282-Y327 VanDerWaalsContact SG-CB 3.54Å; C282-Y327 VanDerWaalsContact SG-CD1 3.57Å; C324-Y327 PolarHBondContact O-N 3.05Å; C324-Y327 VanDerWaalsContact O-N 3.08Å; Y327-E329 HydrophobicContact CE1-CB 4.01Å; Y327-E329 HydrophobicContact CE1-CG 4.44Å; Y327-E329 PolarHBondContact OH-OE1 3.34Å; Y327-T332 HydrophobicContact CD2-CG2 4.48Å; Y327-T332 HydrophobicContact CE2-CG2 4.12Å; Y327-Y353 HydrophobicContact CE2-CD1 4.24Å; Y327-Y353 AromaticContact CE2-CD2 3.76Å; Y327-Y353 HydrophobicContact CE2-CD2 3.76Å; Y327-Y353 HydrophobicContact CE2-CE1 4.24Å; Y327-Y353 AromaticContact CE2-CE2 3.75Å; Y327-Y353 HydrophobicContact CE2-CE2 3.75Å; Y327-Y353 HydrophobicContact CE2-CG 4Å; Y327-Y353 AromaticContact CE2-CZ 4Å; Y327-Y353 WeakPolarHBondContact OH-CE1 3.31Å
328	D	54.6	Low	60.3	Low	68 Å²	68	87.8 Å²	87.8	36%	0.364	46%	0.457	S	S	.	.			trans	-104.7	117.7	160	177.7	-6.1	0	0	0	108.6	D326 A330 K331 T332	D326-D328 PolarHBondContact O-N 3.38Å; D328-A330 PolarHBondContact O-N 3.46Å; D328-A330 VanDerWaalsContact OD1-CB 3.31Å; D328-A330 WeakPolarHBondContact OD1-CB 3.26Å; D328-A330 PolarHBondContact OD1-N 2.79Å; D328-K331 HydrophobicContact CB-CB 4.08Å; D328-K331 HydrophobicContact CB-CD 3.79Å; D328-K331 HydrophobicContact CB-CG 3.78Å; D328-K331 WeakPolarHBondContact O-CA 3.33Å; D328-K331 WeakPolarHBondContact O-CB 3.49Å; D328-K331 PolarHBondContact O-N 3.07Å; D328-K331 VanDerWaalsContact OD2-CE 3.27Å; D328-K331 WeakPolarHBondContact OD2-CE 3.41Å; D328-K331 WeakPolarHBondContact OD2-CG 3.29Å; D328-T332 PolarHBondContact O-N 2.89Å; D328-T332 VanDerWaalsContact O-N 3.16Å
329	E	53.9	Low	60.2	Low	83 Å²	83	91.8 Å²	91.8	39%	0.388	47%	0.472	S	S	.	.	H	α-helix	trans	-65.5	-25.5	-178.1	-167	154.7	-114.3	0	0	112.4	P280 Y327 K331 T332 V333	P280-E329 WeakPolarHBondContact CB-OE2 3.28Å; Y327-E329 HydrophobicContact CE1-CB 4.01Å; Y327-E329 HydrophobicContact CE1-CG 4.44Å; Y327-E329 PolarHBondContact OH-OE1 3.34Å; E329-K331 VanDerWaalsContact C-N 3.31Å; E329-T332 PolarHBondContact O-OG1 2.75Å; E329-V333 WeakPolarHBondContact O-CG2 3.46Å; E329-V333 PolarHBondContact O-N 3.09Å
330	A	53	Low	60.5	Low	67 Å²	67	89.4 Å²	89.4	55%	0.554	46%	0.464	S	S	*	.	H	α-helix	trans	-71.4	-25.9	170.1	0	0	0	0	0	112	D328 K334	D328-A330 PolarHBondContact O-N 3.46Å; D328-A330 VanDerWaalsContact OD1-CB 3.31Å; D328-A330 WeakPolarHBondContact OD1-CB 3.26Å; D328-A330 PolarHBondContact OD1-N 2.79Å; A330-K334 WeakPolarHBondContact O-CB 3.4Å; A330-K334 PolarHBondContact O-N 3.22Å
331	K	54.9	Low	61	Low	88 Å²	88	90 Å²	90	38%	0.383	46%	0.463	S	S	.	.	H	α-helix	trans	-80.9	-38	176.6	-67.5	-179.5	-158.3	166.4	0	113.1	D328 E329 K334 L335 T365	D328-K331 HydrophobicContact CB-CB 4.08Å; D328-K331 HydrophobicContact CB-CD 3.79Å; D328-K331 HydrophobicContact CB-CG 3.78Å; D328-K331 WeakPolarHBondContact O-CA 3.33Å; D328-K331 WeakPolarHBondContact O-CB 3.49Å; D328-K331 PolarHBondContact O-N 3.07Å; D328-K331 VanDerWaalsContact OD2-CE 3.27Å; D328-K331 WeakPolarHBondContact OD2-CE 3.41Å; D328-K331 WeakPolarHBondContact OD2-CG 3.29Å; E329-K331 VanDerWaalsContact C-N 3.31Å; K331-K334 CarbonylContact O-C 3.54Å; K331-K334 PolarHBondContact O-N 3.21Å; K331-L335 WeakPolarHBondContact O-CB 3.28Å; K331-L335 PolarHBondContact O-N 3.26Å; K331-T365 HydrophobicContact CD-CG2 4.13Å
332	T	53	Low	61.9	Low	26 Å²	26	91.1 Å²	91.1	16%	0.16	47%	0.47	C	S	.	.	H	α-helix	trans	-66	-42	179.2	52.9	0	0	0	0	111.6	Y327 D328 E329 L335	Y327-T332 HydrophobicContact CD2-CG2 4.48Å; Y327-T332 HydrophobicContact CE2-CG2 4.12Å; D328-T332 PolarHBondContact O-N 2.89Å; D328-T332 VanDerWaalsContact O-N 3.16Å; E329-T332 PolarHBondContact O-OG1 2.75Å; T332-L335 PolarHBondContact O-N 3.42Å
333	V	53	Low	62.9	Low	106 Å²	106	87.8 Å²	87.8	64%	0.642	47%	0.467	S	S	*	.	H	α-helix	trans	-62.9	-42.5	170.5	176.4	0	0	0	0	111	E329 L335 D336	E329-V333 WeakPolarHBondContact O-CG2 3.46Å; E329-V333 PolarHBondContact O-N 3.09Å; V333-L335 VanDerWaalsContact C-N 3.35Å; V333-L335 PolarHBondContact O-N 2.89Å; V333-D336 PolarHBondContact O-N 3.25Å
334	K	54.5	Low	64	Low	131 Å²	131	81.7 Å²	81.7	57%	0.57	44%	0.438	S	S	*	.	H	α-helix	trans	-67.4	-31.7	179.3	-167.1	170.8	-171.5	174.9	0	112.9	A330 K331 D336 S337 S338	A330-K334 WeakPolarHBondContact O-CB 3.4Å; A330-K334 PolarHBondContact O-N 3.22Å; K331-K334 CarbonylContact O-C 3.54Å; K331-K334 PolarHBondContact O-N 3.21Å; K334-D336 VanDerWaalsContact C-N 3.32Å; K334-D336 PolarHBondContact O-N 2.96Å; K334-S337 CarbonylContact O-C 3.58Å; K334-S337 WeakPolarHBondContact O-CA 3.45Å; K334-S337 PolarHBondContact O-N 3.2Å; K334-S337 PolarHBondContact O-OG 3.32Å; K334-S338 WeakPolarHBondContact O-CB 3.29Å; K334-S338 PolarHBondContact O-N 3.26Å; K334-S338 PolarHBondContact O-OG 3.3Å
335	L	64.4	Low	65.2	Low	16 Å²	16	84.7 Å²	84.7	8%	0.084	46%	0.456	C	S	.	.	H	α-helix	trans	-62	-35.3	174.9	-94.2	159.8	0	0	0	112.9	K331 T332 V333 S337 S338 L346 C356 Q366	K331-L335 WeakPolarHBondContact O-CB 3.28Å; K331-L335 PolarHBondContact O-N 3.26Å; T332-L335 PolarHBondContact O-N 3.42Å; V333-L335 VanDerWaalsContact C-N 3.35Å; V333-L335 PolarHBondContact O-N 2.89Å; L335-S337 VanDerWaalsContact C-N 3.26Å; L335-S337 PolarHBondContact O-N 2.94Å; L335-S338 CarbonylContact O-C 3.53Å; L335-S338 PolarHBondContact O-N 3.37Å; L335-S338 VanDerWaalsContact O-N 3.15Å; L335-L346 HydrophobicContact CD2-CD1 4.43Å; L335-C356 VanDerWaalsContact CD2-SG 3.52Å; L335-Q366 HydrophobicContact CD2-CG 4.37Å
336	D	60.6	Low	66.8	Low	126 Å²	126	78.8 Å²	78.8	67%	0.674	44%	0.438	S	S	*	.	H	α-helix	trans	-64.8	-33.7	172.9	-147.7	47.3	0	0	0	111.3	V333 K334 N354	V333-D336 PolarHBondContact O-N 3.25Å; K334-D336 VanDerWaalsContact C-N 3.32Å; K334-D336 PolarHBondContact O-N 2.96Å; D336-N354 PolarHBondContact OD1-ND2 2.68Å
337	S	57.6	Low	68.4	Low	97 Å²	97	74.7 Å²	74.7	68%	0.678	42%	0.417	S	S	*	.	H	α-helix	trans	-82.6	-9.5	172.8	76.9	0	0	0	0	115.2	K334 L335	K334-S337 CarbonylContact O-C 3.58Å; K334-S337 WeakPolarHBondContact O-CA 3.45Å; K334-S337 PolarHBondContact O-N 3.2Å; K334-S337 PolarHBondContact O-OG 3.32Å; L335-S337 VanDerWaalsContact C-N 3.26Å; L335-S337 PolarHBondContact O-N 2.94Å
338	S	62.3	Low	69.7	Low	28 Å²	28	79.4 Å²	79.4	20%	0.196	44%	0.439	C	S	.	.	S	Bend	trans	-144.1	106.5	-171	57.6	0	0	0	0	113.5	K334 L335 Q366	K334-S338 WeakPolarHBondContact O-CB 3.29Å; K334-S338 PolarHBondContact O-N 3.26Å; K334-S338 PolarHBondContact O-OG 3.3Å; L335-S338 CarbonylContact O-C 3.53Å; L335-S338 PolarHBondContact O-N 3.37Å; L335-S338 VanDerWaalsContact O-N 3.15Å; S338-Q366 PolarHBondContact OG-NE2 3.27Å
339	K	81	Confident	70.4	Confident	189 Å²	189	78 Å²	78	82%	0.822	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-57	147.2	-178.2	-61.2	-180	-179.8	-179.9	0	112.8
340	C	85.2	Confident	71	Confident	25 Å²	25	81 Å²	81	17%	0.169	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-54.4	141.7	167.6	-50.6	0	0	0	0	111.6	G344 C356	C340-G344 VanDerWaalsContact CB-O 3.24Å; C340-G344 WeakPolarHBondContact CB-O 3.31Å; C340-C356 WeakPolarHBondContact CA-SG 3.47Å; C340-C356 HydrophobicContact CB-CB 3.85Å; C340-C356 WeakPolarHBondContact CB-SG 3.4Å; C340-C356 VanDerWaalsContact SG-CA 3.53Å; C340-C356 WeakPolarHBondContact SG-CB 3.41Å; C340-C356 CovalentContact SG-SG 2.03Å; C340-C356 PolarHBondContact SG-SG 2.92Å
341	K	86.4	Confident	71.3	Confident	98 Å²	98	82.3 Å²	82.3	43%	0.426	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-99.4	172.6	179	-65.6	167.2	178.2	159.7	0	110.4	G343 G344 Q366 E368	K341-G343 PolarHBondContact O-N 2.92Å; K341-G344 PolarHBondContact O-N 3.47Å; K341-Q366 WeakPolarHBondContact CB-O 3.46Å; K341-Q366 HydrophobicContact CD-CB 4.4Å; K341-Q366 PolarHBondContact N-O 3.24Å; K341-E368 HydrophobicContact CD-CB 4Å
342	N	87.4	Confident	71.9	Confident	77 Å²	77	80 Å²	80	41%	0.412	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	35.3	165.9	-56.9	-30.7	0	0	0	115.1	G344 A359 F362 C367	N342-G344 VanDerWaalsContact C-N 3.34Å; N342-G344 PolarHBondContact O-N 2.81Å; N342-A359 WeakPolarHBondContact O-CB 3.29Å; N342-F362 HydrophobicContact CB-CB 4.49Å; N342-F362 HydrophobicContact CB-CD1 3.52Å; N342-F362 HydrophobicContact CB-CD2 3.88Å; N342-F362 HydrophobicContact CB-CE1 3.58Å; N342-F362 HydrophobicContact CB-CE2 3.94Å; N342-F362 HydrophobicContact CB-CG 3.68Å; N342-F362 HydrophobicContact CB-CZ 3.8Å; N342-F362 VanDerWaalsContact CG-CE1 3.49Å; N342-F362 VanDerWaalsContact ND2-CD1 3.35Å; N342-F362 WeakPolarHBondContact ND2-CD1 3.37Å; N342-F362 WeakPolarHBondContact ND2-CE1 3.38Å; N342-C367 WeakPolarHBondContact CB-O 3.35Å; N342-C367 PolarHBondContact ND2-O 3.47Å
343	G	83.2	Confident	72.5	Confident	63 Å²	63	81.6 Å²	81.6	65%	0.649	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	8.4	-179.6	0	0	0	0	0	115.6	K341	K341-G343 PolarHBondContact O-N 2.92Å
344	G	85.6	Confident	73.5	Confident	14 Å²	14	77.6 Å²	77.6	14%	0.144	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-64	142	171.7	0	0	0	0	0	112.6	C340 K341 N342 D357	C340-G344 VanDerWaalsContact CB-O 3.24Å; C340-G344 WeakPolarHBondContact CB-O 3.31Å; K341-G344 PolarHBondContact O-N 3.47Å; N342-G344 VanDerWaalsContact C-N 3.34Å; N342-G344 PolarHBondContact O-N 2.81Å; G344-D357 CarbonylContact C-O 3.57Å; G344-D357 VanDerWaalsContact CA-O 3.3Å; G344-D357 WeakPolarHBondContact CA-O 3.28Å
345	T	87.2	Confident	74.8	Confident	89 Å²	89	75.8 Å²	75.8	55%	0.546	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	133.3	178.3	-60.7	0	0	0	0	110	T347 C356 D357	T345-T347 HydrophobicContact CG2-CG2 4.11Å; T345-T347 PolarHBondContact O-N 3.03Å; T345-C356 WeakPolarHBondContact O-CA 3.4Å; T345-D357 PolarHBondContact N-O 3.08Å; T345-D357 PolarHBondContact O-N 3.37Å
346	L	86.4	Confident	75.8	Confident	83 Å²	83	75.5 Å²	75.5	44%	0.435	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	119.7	174.4	-166	77.2	0	0	0	109.8	L335 N354 K355	L335-L346 HydrophobicContact CD2-CD1 4.43Å; L346-N354 HydrophobicContact CD1-CB 4.3Å; L346-K355 CarbonylContact C-O 3.58Å; L346-K355 WeakPolarHBondContact CA-O 3.29Å
347	T	83.9	Confident	76.9	Confident	44 Å²	44	72.8 Å²	72.8	27%	0.27	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	174.9	179.3	63.7	0	0	0	0	110.4	T345 N354 K355 D357	T345-T347 HydrophobicContact CG2-CG2 4.11Å; T345-T347 PolarHBondContact O-N 3.03Å; T347-N354 WeakPolarHBondContact O-CA 3.39Å; T347-K355 PolarHBondContact N-O 2.88Å; T347-K355 PolarHBondContact O-N 2.83Å; T347-D357 WeakPolarHBondContact CB-OD2 3.4Å; T347-D357 HydrophobicContact CG2-CB 4.41Å; T347-D357 WeakPolarHBondContact CG2-OD2 3.48Å; T347-D357 PolarHBondContact OG1-OD2 3.29Å
348	K	76	Confident	78.1	Confident	149 Å²	149	70.5 Å²	70.5	65%	0.648	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	135.4	174.8	-68.4	-167.5	174.5	-152.1	0	111	Y353 N354	K348-Y353 WeakPolarHBondContact CA-O 3.28Å; K348-N354 VanDerWaalsContact CE-OD1 3.24Å; K348-N354 WeakPolarHBondContact CE-OD1 3.43Å
349	T	68.3	Low	79	Confident	40 Å²	40	71 Å²	71	25%	0.245	41%	0.406	C	S	.	.			trans	-64	159.3	170.2	54.2	0	0	0	0	111.1	T351 G352 Y353 K355	T349-T351 PolarHBondContact O-N 2.91Å; T349-T351 PolarHBondContact OG1-OG1 3.33Å; T349-G352 PolarHBondContact O-N 2.98Å; T349-Y353 PolarHBondContact N-O 3.33Å; T349-Y353 PolarHBondContact OG1-N 2.88Å; T349-Y353 PolarHBondContact OG1-O 3.45Å; T349-K355 HydrophobicContact CG2-CB 4.16Å; T349-K355 HydrophobicContact CG2-CD 4.37Å
350	P	67.1	Low	78.8	Confident	145 Å²	145	67.9 Å²	67.9	94%	0.942	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-20	176.2	-25.9	35.7	0	0	0	114.6
351	T	59.2	Low	78.2	Confident	95 Å²	95	67.1 Å²	67.1	58%	0.583	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	1	175.2	43	0	0	0	0	113.8	T349 Y353	T349-T351 PolarHBondContact O-N 2.91Å; T349-T351 PolarHBondContact OG1-OG1 3.33Å; T351-Y353 VanDerWaalsContact OG1-CD2 3.32Å; T351-Y353 WeakPolarHBondContact OG1-CD2 3.49Å
352	G	67.3	Low	77.9	Confident	39 Å²	39	65 Å²	65	40%	0.402	40%	0.396	S	S	.	.	S	Bend	trans	98.3	-9	170.5	0	0	0	0	0	116.2	T349	T349-G352 PolarHBondContact O-N 2.98Å
353	Y	65.3	Low	77.4	Confident	60 Å²	60	65.9 Å²	65.9	24%	0.235	40%	0.396	C	S	.	.			trans	-78.8	144.6	-178.5	-49	-72.5	0	0	0	112.6	L279 Y327 K348 T349 T351	L279-Y353 WeakPolarHBondContact CD2-OH 3.21Å; Y327-Y353 HydrophobicContact CE2-CD1 4.24Å; Y327-Y353 AromaticContact CE2-CD2 3.76Å; Y327-Y353 HydrophobicContact CE2-CD2 3.76Å; Y327-Y353 HydrophobicContact CE2-CE1 4.24Å; Y327-Y353 AromaticContact CE2-CE2 3.75Å; Y327-Y353 HydrophobicContact CE2-CE2 3.75Å; Y327-Y353 HydrophobicContact CE2-CG 4Å; Y327-Y353 AromaticContact CE2-CZ 4Å; Y327-Y353 WeakPolarHBondContact OH-CE1 3.31Å; K348-Y353 WeakPolarHBondContact CA-O 3.28Å; T349-Y353 PolarHBondContact N-O 3.33Å; T349-Y353 PolarHBondContact OG1-N 2.88Å; T349-Y353 PolarHBondContact OG1-O 3.45Å; T351-Y353 VanDerWaalsContact OG1-CD2 3.32Å; T351-Y353 WeakPolarHBondContact OG1-CD2 3.49Å
354	N	73.9	Confident	77	Confident	22 Å²	22	64.4 Å²	64.4	12%	0.118	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	142	175.8	-67	-9.5	0	0	0	112	D336 L346 T347 K348	D336-N354 PolarHBondContact OD1-ND2 2.68Å; L346-N354 HydrophobicContact CD1-CB 4.3Å; T347-N354 WeakPolarHBondContact O-CA 3.39Å; K348-N354 VanDerWaalsContact CE-OD1 3.24Å; K348-N354 WeakPolarHBondContact CE-OD1 3.43Å
355	K	81.9	Confident	76.6	Confident	93 Å²	93	66.1 Å²	66.1	40%	0.404	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.3	175.7	179.1	-176.8	175.2	-134.5	0	109.8	L346 T347 T349 D357	L346-K355 CarbonylContact C-O 3.58Å; L346-K355 WeakPolarHBondContact CA-O 3.29Å; T347-K355 PolarHBondContact N-O 2.88Å; T347-K355 PolarHBondContact O-N 2.83Å; T349-K355 HydrophobicContact CG2-CB 4.16Å; T349-K355 HydrophobicContact CG2-CD 4.37Å; K355-D357 IonicContact NZ-OD1 2.67Å; K355-D357 PolarHBondContact NZ-OD1 3.09Å
356	C	86	Confident	76.4	Confident	9 Å²	9	63.3 Å²	63.3	6%	0.061	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125	164.3	-65.7	0	0	0	0	111.2	L335 C340 T345	L335-C356 VanDerWaalsContact CD2-SG 3.52Å; C340-C356 WeakPolarHBondContact CA-SG 3.47Å; C340-C356 HydrophobicContact CB-CB 3.85Å; C340-C356 WeakPolarHBondContact CB-SG 3.4Å; C340-C356 VanDerWaalsContact SG-CA 3.53Å; C340-C356 WeakPolarHBondContact SG-CB 3.41Å; C340-C356 CovalentContact SG-SG 2.03Å; C340-C356 PolarHBondContact SG-SG 2.92Å; T345-C356 WeakPolarHBondContact O-CA 3.4Å
357	D	84.5	Confident	76.3	Confident	69 Å²	69	59.4 Å²	59.4	37%	0.369	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	113.8	166.2	-72	-42.4	0	0	0	109.1	G344 T345 T347 K355	G344-D357 CarbonylContact C-O 3.57Å; G344-D357 VanDerWaalsContact CA-O 3.3Å; G344-D357 WeakPolarHBondContact CA-O 3.28Å; T345-D357 PolarHBondContact N-O 3.08Å; T345-D357 PolarHBondContact O-N 3.37Å; T347-D357 WeakPolarHBondContact CB-OD2 3.4Å; T347-D357 HydrophobicContact CG2-CB 4.41Å; T347-D357 WeakPolarHBondContact CG2-OD2 3.48Å; T347-D357 PolarHBondContact OG1-OD2 3.29Å; K355-D357 IonicContact NZ-OD1 2.67Å; K355-D357 PolarHBondContact NZ-OD1 3.09Å
358	C	81.2	Confident	76.3	Confident	50 Å²	50	60.6 Å²	60.6	34%	0.338	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-82.9	146.1	-165.1	-57.4	0	0	0	0	114.3	F362 C367	C358-F362 HydrophobicContact CB-CB 4.32Å; C358-C367 WeakPolarHBondContact CA-SG 3.35Å; C358-C367 HydrophobicContact CB-CB 3.71Å; C358-C367 WeakPolarHBondContact CB-SG 3.32Å; C358-C367 WeakPolarHBondContact SG-CA 3.45Å; C358-C367 WeakPolarHBondContact SG-CB 3.32Å; C358-C367 CovalentContact SG-SG 2.03Å; C358-C367 PolarHBondContact SG-SG 3.29Å
359	A	81.8	Confident	76.6	Confident	38 Å²	38	58.2 Å²	58.2	31%	0.314	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-63.5	149.3	168.4	0	0	0	0	0	111.2	N342 G361 F362	N342-A359 WeakPolarHBondContact O-CB 3.29Å; A359-G361 PolarHBondContact O-N 3.24Å; A359-G361 VanDerWaalsContact O-N 3.14Å; A359-F362 HydrophobicContact CB-CD2 4.44Å; A359-F362 PolarHBondContact O-N 3.28Å
360	S	76.3	Confident	77.2	Confident	124 Å²	124	60.2 Å²	60.2	87%	0.867	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	119.3	177.6	-62.6	0	0	0	0	111.5
361	G	72.4	Confident	77.7	Confident	9 Å²	9	53.4 Å²	53.4	9%	0.093	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	111.8	-12	-177.1	0	0	0	0	0	114.8	A359 N370 A371 C372	A359-G361 PolarHBondContact O-N 3.24Å; A359-G361 VanDerWaalsContact O-N 3.14Å; G361-N370 CarbonylContact O-C 3.58Å; G361-N370 PolarHBondContact O-OD1 3.35Å; G361-A371 WeakPolarHBondContact O-CB 3.42Å; G361-A371 PolarHBondContact O-N 2.86Å; G361-C372 PolarHBondContact O-N 2.68Å
362	F	80.8	Confident	78.6	Confident	53 Å²	53	50.4 Å²	50.4	23%	0.232	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	153.1	-176.7	-62.9	-84.6	0	0	0	113.6	N342 C358 A359 C367 E369 N370	N342-F362 HydrophobicContact CB-CB 4.49Å; N342-F362 HydrophobicContact CB-CD1 3.52Å; N342-F362 HydrophobicContact CB-CD2 3.88Å; N342-F362 HydrophobicContact CB-CE1 3.58Å; N342-F362 HydrophobicContact CB-CE2 3.94Å; N342-F362 HydrophobicContact CB-CG 3.68Å; N342-F362 HydrophobicContact CB-CZ 3.8Å; N342-F362 VanDerWaalsContact CG-CE1 3.49Å; N342-F362 VanDerWaalsContact ND2-CD1 3.35Å; N342-F362 WeakPolarHBondContact ND2-CD1 3.37Å; N342-F362 WeakPolarHBondContact ND2-CE1 3.38Å; C358-F362 HydrophobicContact CB-CB 4.32Å; A359-F362 HydrophobicContact CB-CD2 4.44Å; A359-F362 PolarHBondContact O-N 3.28Å; F362-C367 HydrophobicContact CB-CB 4.21Å; F362-E369 CarbonylContact C-O 3.46Å; F362-E369 VanDerWaalsContact CA-O 3.25Å; F362-E369 WeakPolarHBondContact CA-O 3.35Å; F362-E369 WeakPolarHBondContact CD1-O 3.34Å; F362-N370 HydrophobicContact CD1-CB 4.24Å; F362-N370 HydrophobicContact CE1-CB 3.96Å
363	K	76.2	Confident	79.1	Confident	95 Å²	95	51 Å²	51	41%	0.413	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	-178.9	174.9	72.8	-174	-171.9	-166.3	0	110.2	C367 E368 E369 A371	K363-C367 CarbonylContact O-C 3.58Å; K363-C367 VanDerWaalsContact O-C 3.28Å; K363-C367 VanDerWaalsContact O-CA 3.32Å; K363-C367 WeakPolarHBondContact O-CA 3.44Å; K363-E368 PolarHBondContact O-N 3.43Å; K363-E369 WeakPolarHBondContact CE-OE2 3.49Å; K363-E369 HydrophobicContact CG-CB 3.76Å; K363-E369 PolarHBondContact N-O 3.45Å; K363-E369 IonicContact NZ-OE2 3.76Å; K363-E369 PolarHBondContact O-N 3.14Å; K363-A371 HydrophobicContact CB-CB 4.03Å; K363-A371 HydrophobicContact CD-CB 3.72Å; K363-A371 HydrophobicContact CG-CB 3.82Å
364	G	75.3	Confident	79.5	Confident	33 Å²	33	54.7 Å²	54.7	34%	0.34	32%	0.315	S	S	.	.	S	Bend	trans	93.6	166.9	-176.1	0	0	0	0	0	112.6	Q366 C367 E368	G364-Q366 VanDerWaalsContact C-N 3.27Å; G364-Q366 PolarHBondContact O-N 3.34Å; G364-C367 PolarHBondContact O-N 3.14Å; G364-C367 VanDerWaalsContact O-N 3.1Å; G364-E368 VanDerWaalsContact CA-OE2 3.25Å; G364-E368 WeakPolarHBondContact CA-OE2 3.39Å
365	T	76.9	Confident	79.9	Confident	50 Å²	50	57.2 Å²	57.2	31%	0.307	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-23.3	-168.7	59.4	0	0	0	0	114.7	K331 E368	K331-T365 HydrophobicContact CD-CG2 4.13Å; T365-E368 PolarHBondContact N-OE1 3.41Å; T365-E368 PolarHBondContact N-OE2 3.12Å; T365-E368 PolarHBondContact OG1-OE1 3.31Å; T365-E368 VanDerWaalsContact OG1-OE1 3.06Å
366	Q	83.2	Confident	80.1	Confident	30 Å²	30	53.9 Å²	53.9	14%	0.14	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	11.9	174.4	-61.9	-179	-21.6	0	0	111.9	L335 S338 K341 G364 E368	L335-Q366 HydrophobicContact CD2-CG 4.37Å; S338-Q366 PolarHBondContact OG-NE2 3.27Å; K341-Q366 WeakPolarHBondContact CB-O 3.46Å; K341-Q366 HydrophobicContact CD-CB 4.4Å; K341-Q366 PolarHBondContact N-O 3.24Å; G364-Q366 VanDerWaalsContact C-N 3.27Å; G364-Q366 PolarHBondContact O-N 3.34Å; Q366-E368 WeakPolarHBondContact CA-OE2 3.41Å; Q366-E368 HydrophobicContact CB-CB 4.41Å; Q366-E368 PolarHBondContact N-OE2 2.99Å; Q366-E368 PolarHBondContact O-N 2.89Å
367	C	83.8	Confident	80.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	60.4	29.2	-168	-46.9	0	0	0	0	113.6	N342 C358 F362 K363 G364	N342-C367 WeakPolarHBondContact CB-O 3.35Å; N342-C367 PolarHBondContact ND2-O 3.47Å; C358-C367 WeakPolarHBondContact CA-SG 3.35Å; C358-C367 HydrophobicContact CB-CB 3.71Å; C358-C367 WeakPolarHBondContact CB-SG 3.32Å; C358-C367 WeakPolarHBondContact SG-CA 3.45Å; C358-C367 WeakPolarHBondContact SG-CB 3.32Å; C358-C367 CovalentContact SG-SG 2.03Å; C358-C367 PolarHBondContact SG-SG 3.29Å; F362-C367 HydrophobicContact CB-CB 4.21Å; K363-C367 CarbonylContact O-C 3.58Å; K363-C367 VanDerWaalsContact O-C 3.28Å; K363-C367 VanDerWaalsContact O-CA 3.32Å; K363-C367 WeakPolarHBondContact O-CA 3.44Å; G364-C367 PolarHBondContact O-N 3.14Å; G364-C367 VanDerWaalsContact O-N 3.1Å
368	E	84.1	Confident	80.2	Confident	69 Å²	69	57.7 Å²	57.7	32%	0.322	33%	0.33	S	S	.	.			trans	-74.7	-25.7	-173.8	67.5	-82.7	-136.2	0	0	113.9	K341 K363 G364 T365 Q366	K341-E368 HydrophobicContact CD-CB 4Å; K363-E368 PolarHBondContact O-N 3.43Å; G364-E368 VanDerWaalsContact CA-OE2 3.25Å; G364-E368 WeakPolarHBondContact CA-OE2 3.39Å; T365-E368 PolarHBondContact N-OE1 3.41Å; T365-E368 PolarHBondContact N-OE2 3.12Å; T365-E368 PolarHBondContact OG1-OE1 3.31Å; T365-E368 VanDerWaalsContact OG1-OE1 3.06Å; Q366-E368 WeakPolarHBondContact CA-OE2 3.41Å; Q366-E368 HydrophobicContact CB-CB 4.41Å; Q366-E368 PolarHBondContact N-OE2 2.99Å; Q366-E368 PolarHBondContact O-N 2.89Å
369	E	82.3	Confident	80.3	Confident	99 Å²	99	60.2 Å²	60.2	46%	0.463	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.2	-178.8	-63.1	-177.4	-158.1	0	0	111.6	F362 K363 A371	F362-E369 CarbonylContact C-O 3.46Å; F362-E369 VanDerWaalsContact CA-O 3.25Å; F362-E369 WeakPolarHBondContact CA-O 3.35Å; F362-E369 WeakPolarHBondContact CD1-O 3.34Å; K363-E369 WeakPolarHBondContact CE-OE2 3.49Å; K363-E369 HydrophobicContact CG-CB 3.76Å; K363-E369 PolarHBondContact N-O 3.45Å; K363-E369 IonicContact NZ-OE2 3.76Å; K363-E369 PolarHBondContact O-N 3.14Å; E369-A371 PolarHBondContact O-N 2.7Å
370	N	81.6	Confident	80.3	Confident	82 Å²	82	58.9 Å²	58.9	44%	0.439	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	100.9	167.1	-177.1	-17.6	0	0	0	109.2	G361 F362 C372 A373	G361-N370 CarbonylContact O-C 3.58Å; G361-N370 PolarHBondContact O-OD1 3.35Å; F362-N370 HydrophobicContact CD1-CB 4.24Å; F362-N370 HydrophobicContact CE1-CB 3.96Å; N370-C372 PolarHBondContact O-N 2.85Å; N370-C372 WeakPolarHBondContact OD1-CA 3.28Å; N370-C372 WeakPolarHBondContact OD1-CB 3.46Å; N370-C372 PolarHBondContact OD1-N 2.94Å; N370-A373 HydrophobicContact CB-CB 4.11Å; N370-A373 WeakPolarHBondContact O-CB 3.47Å; N370-A373 PolarHBondContact O-N 2.95Å; N370-A373 PolarHBondContact OD1-N 3.07Å; N370-A373 VanDerWaalsContact OD1-N 3.16Å
371	A	77.2	Confident	80.5	Confident	3 Å²	3	57 Å²	57	3%	0.025	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.2	179.4	0	0	0	0	0	113.3	G361 K363 E369 E375 V384 V389	G361-A371 WeakPolarHBondContact O-CB 3.42Å; G361-A371 PolarHBondContact O-N 2.86Å; K363-A371 HydrophobicContact CB-CB 4.03Å; K363-A371 HydrophobicContact CD-CB 3.72Å; K363-A371 HydrophobicContact CG-CB 3.82Å; E369-A371 PolarHBondContact O-N 2.7Å; A371-E375 WeakPolarHBondContact O-CG 3.35Å; A371-V384 HydrophobicContact CB-CG2 3.71Å; A371-V389 HydrophobicContact CB-CG2 4.36Å; A371-V389 WeakPolarHBondContact O-CG2 3.24Å
372	C	78.1	Confident	80.9	Confident	31 Å²	31	58.2 Å²	58.2	21%	0.209	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-2.7	179.3	-68.5	0	0	0	0	113.9	G361 N370 N374 C382	G361-C372 PolarHBondContact O-N 2.68Å; N370-C372 PolarHBondContact O-N 2.85Å; N370-C372 WeakPolarHBondContact OD1-CA 3.28Å; N370-C372 WeakPolarHBondContact OD1-CB 3.46Å; N370-C372 PolarHBondContact OD1-N 2.94Å; C372-N374 PolarHBondContact O-N 3.07Å; C372-N374 VanDerWaalsContact O-N 3.14Å; C372-C382 WeakPolarHBondContact CA-SG 3.48Å; C372-C382 HydrophobicContact CB-CB 3.59Å; C372-C382 WeakPolarHBondContact CB-SG 3.47Å; C372-C382 WeakPolarHBondContact SG-CB 3.36Å; C372-C382 CovalentContact SG-SG 2.02Å; C372-C382 PolarHBondContact SG-SG 2.9Å
373	A	79.1	Confident	80.5	Confident	53 Å²	53	59.1 Å²	59.1	44%	0.438	34%	0.335	S	S	.	.	S	Bend	trans	-64.1	115.6	-179.3	0	0	0	0	0	110.8	N370 E375	N370-A373 HydrophobicContact CB-CB 4.11Å; N370-A373 WeakPolarHBondContact O-CB 3.47Å; N370-A373 PolarHBondContact O-N 2.95Å; N370-A373 PolarHBondContact OD1-N 3.07Å; N370-A373 VanDerWaalsContact OD1-N 3.16Å; A373-E375 PolarHBondContact O-N 3.31Å
374	N	73.4	Confident	80.1	Confident	137 Å²	137	56.9 Å²	56.9	73%	0.733	33%	0.329	S	S	*	.	S	Bend	trans	62.2	-1.2	179.2	-64.3	-51.9	0	0	0	117.5	C372 K377	C372-N374 PolarHBondContact O-N 3.07Å; C372-N374 VanDerWaalsContact O-N 3.14Å; N374-K377 WeakPolarHBondContact O-CE 3.26Å; N374-K377 PolarHBondContact O-NZ 3.17Å
375	E	82.8	Confident	79.7	Confident	74 Å²	74	60.6 Å²	60.6	35%	0.346	33%	0.333	S	S	.	.	S	Bend	trans	-64.7	-64.6	178.1	-71.3	-65.7	173.9	0	0	111.3	A371 A373 K377 V389 N401	A371-E375 WeakPolarHBondContact O-CG 3.35Å; A373-E375 PolarHBondContact O-N 3.31Å; E375-K377 PolarHBondContact O-N 3.45Å; E375-V389 HydrophobicContact CB-CG1 4.2Å; E375-V389 HydrophobicContact CG-CG1 4.48Å; E375-V389 HydrophobicContact CG-CG2 4.44Å; E375-N401 WeakPolarHBondContact O-CB 3.01Å; E375-N401 PolarHBondContact O-ND2 2.67Å; E375-N401 PolarHBondContact OE2-ND2 3.13Å
376	C	85.1	Confident	78.9	Confident	24 Å²	24	66.7 Å²	66.7	16%	0.162	36%	0.363	C	S	.	.	S	Bend	trans	-81.5	115.9	-176.9	-50.3	0	0	0	0	111.4	G380 C382 C391	C376-G380 VanDerWaalsContact CB-O 3.27Å; C376-G380 WeakPolarHBondContact CB-O 3.38Å; C376-C382 VanDerWaalsContact SG-CA 3.57Å; C376-C382 VanDerWaalsContact SG-CB 3.52Å; C376-C391 WeakPolarHBondContact CA-SG 3.32Å; C376-C391 HydrophobicContact CB-CB 3.77Å; C376-C391 WeakPolarHBondContact CB-SG 3.5Å; C376-C391 WeakPolarHBondContact SG-CA 3.43Å; C376-C391 WeakPolarHBondContact SG-CB 3.46Å; C376-C391 CovalentContact SG-SG 2.04Å; C376-C391 PolarHBondContact SG-SG 3.44Å
377	K	86.9	Confident	77.9	Confident	93 Å²	93	72.5 Å²	72.5	40%	0.404	40%	0.4	S	S	.	.			trans	-82	172.3	174.7	-52.1	-49.8	-173	-169.8	0	111	N374 E375 S379 G380 N401 C402 E403	N374-K377 WeakPolarHBondContact O-CE 3.26Å; N374-K377 PolarHBondContact O-NZ 3.17Å; E375-K377 PolarHBondContact O-N 3.45Å; K377-S379 PolarHBondContact O-N 3.47Å; K377-G380 PolarHBondContact O-N 3.11Å; K377-N401 WeakPolarHBondContact CB-O 3.35Å; K377-N401 PolarHBondContact N-O 2.88Å; K377-C402 WeakPolarHBondContact O-CB 3.26Å; K377-E403 HydrophobicContact CB-CB 4.35Å; K377-E403 HydrophobicContact CG-CB 3.97Å
378	N	85.2	Confident	77.1	Confident	65 Å²	65	74.4 Å²	74.4	35%	0.348	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	40.3	170.5	-58.3	-41.7	0	0	0	113.9	G380 F397 C402	N378-G380 PolarHBondContact O-N 3.23Å; N378-G380 VanDerWaalsContact O-N 3.17Å; N378-F397 HydrophobicContact CB-CB 4.42Å; N378-F397 HydrophobicContact CB-CD1 3.41Å; N378-F397 VanDerWaalsContact CB-CD1 3.41Å; N378-F397 HydrophobicContact CB-CD2 4.2Å; N378-F397 HydrophobicContact CB-CE1 3.59Å; N378-F397 HydrophobicContact CB-CE2 4.35Å; N378-F397 HydrophobicContact CB-CG 3.74Å; N378-F397 HydrophobicContact CB-CZ 4.07Å; N378-F397 WeakPolarHBondContact ND2-CD1 3.42Å; N378-C402 PolarHBondContact ND2-O 3.13Å
379	S	83.5	Confident	76.7	Confident	102 Å²	102	73.6 Å²	73.6	71%	0.713	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	25.1	-178.3	-56.3	0	0	0	0	115.5	K377	K377-S379 PolarHBondContact O-N 3.47Å
380	G	82.4	Confident	76.5	Confident	10 Å²	10	71.9 Å²	71.9	10%	0.103	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-62.1	137.7	171.5	0	0	0	0	0	112.1	C376 K377 N378 C382 V392	C376-G380 VanDerWaalsContact CB-O 3.27Å; C376-G380 WeakPolarHBondContact CB-O 3.38Å; K377-G380 PolarHBondContact O-N 3.11Å; N378-G380 PolarHBondContact O-N 3.23Å; N378-G380 VanDerWaalsContact O-N 3.17Å; G380-C382 PolarHBondContact O-N 3.15Å; G380-V392 CarbonylContact C-O 3.58Å; G380-V392 WeakPolarHBondContact CA-O 3.49Å
381	T	79.7	Confident	76.5	Confident	86 Å²	86	68.6 Å²	68.6	53%	0.528	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	121.2	-179	-54.7	0	0	0	0	110.7	V392	T381-V392 PolarHBondContact N-O 3.48Å; T381-V392 PolarHBondContact O-N 3.46Å
382	C	80.6	Confident	76.8	Confident	33 Å²	33	71.5 Å²	71.5	22%	0.223	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	131.8	178.8	-180	0	0	0	0	112.2	C372 C376 G380 V389	C372-C382 WeakPolarHBondContact CA-SG 3.48Å; C372-C382 HydrophobicContact CB-CB 3.59Å; C372-C382 WeakPolarHBondContact CB-SG 3.47Å; C372-C382 WeakPolarHBondContact SG-CB 3.36Å; C372-C382 CovalentContact SG-SG 2.02Å; C372-C382 PolarHBondContact SG-SG 2.9Å; C376-C382 VanDerWaalsContact SG-CA 3.57Å; C376-C382 VanDerWaalsContact SG-CB 3.52Å; G380-C382 PolarHBondContact O-N 3.15Å; C382-V389 WeakPolarHBondContact SG-CG1 3.46Å
383	I	72.5	Confident	76.9	Confident	73 Å²	73	70.8 Å²	70.8	37%	0.374	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	112.8	175.3	-55.1	179	0	0	0	108.8	L390 V392	I383-L390 HydrophobicContact CB-CB 4.47Å; I383-L390 PolarHBondContact N-O 3.42Å; I383-L390 PolarHBondContact O-N 3.23Å; I383-V392 HydrophobicContact CD1-CG2 3.69Å; I383-V392 HydrophobicContact CG1-CG2 4.37Å
384	V	69.3	Low	76.9	Confident	47 Å²	47	71.9 Å²	71.9	29%	0.285	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	136.2	174	-176.1	0	0	0	0	109.8	A371	A371-V384 HydrophobicContact CB-CG2 3.71Å
385	R	66.7	Low	76.9	Confident	112 Å²	112	68.2 Å²	68.2	42%	0.423	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	161.6	173.5	-62.9	-178.1	170.7	-165	-2.9	109.5	V387 G388 L390	R385-V387 PolarHBondContact O-N 3.04Å; R385-G388 CarbonylContact C-O 3.45Å; R385-G388 WeakPolarHBondContact CA-O 3.46Å; R385-G388 WeakPolarHBondContact CB-O 3.31Å; R385-G388 PolarHBondContact N-O 3.37Å; R385-G388 PolarHBondContact O-N 2.95Å; R385-L390 VanDerWaalsContact CZ-CD2 3.47Å
386	N	60.3	Low	76.5	Confident	178 Å²	178	64.8 Å²	64.8	95%	0.952	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-14.7	179.4	-55.1	22.7	0	0	0	114.5
387	V	61.8	Low	76.4	Confident	151 Å²	151	65.1 Å²	65.1	92%	0.915	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	2.8	-178	-163.5	0	0	0	0	111.8	R385	R385-V387 PolarHBondContact O-N 3.04Å
388	G	66.8	Low	76	Confident	40 Å²	40	61.9 Å²	61.9	41%	0.412	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	134.7	-168.5	-179.4	0	0	0	0	0	113.9	R385	R385-G388 CarbonylContact C-O 3.45Å; R385-G388 WeakPolarHBondContact CA-O 3.46Å; R385-G388 WeakPolarHBondContact CB-O 3.31Å; R385-G388 PolarHBondContact N-O 3.37Å; R385-G388 PolarHBondContact O-N 2.95Å
389	V	74.6	Confident	75.7	Confident	53 Å²	53	60.4 Å²	60.4	32%	0.321	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	139.6	178.9	176.3	0	0	0	0	110.4	A371 E375 C382	A371-V389 HydrophobicContact CB-CG2 4.36Å; A371-V389 WeakPolarHBondContact O-CG2 3.24Å; E375-V389 HydrophobicContact CB-CG1 4.2Å; E375-V389 HydrophobicContact CG-CG1 4.48Å; E375-V389 HydrophobicContact CG-CG2 4.44Å; C382-V389 WeakPolarHBondContact SG-CG1 3.46Å
390	L	78.1	Confident	75.6	Confident	63 Å²	63	60.4 Å²	60.4	33%	0.33	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.9	168.6	172.4	65.4	0	0	0	109.3	I383 R385	I383-L390 HydrophobicContact CB-CB 4.47Å; I383-L390 PolarHBondContact N-O 3.42Å; I383-L390 PolarHBondContact O-N 3.23Å; R385-L390 VanDerWaalsContact CZ-CD2 3.47Å
391	C	83	Confident	75.8	Confident	13 Å²	13	62.3 Å²	62.3	9%	0.088	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.1	170.8	-60.1	0	0	0	0	111	C376 P400 C402	C376-C391 WeakPolarHBondContact CA-SG 3.32Å; C376-C391 HydrophobicContact CB-CB 3.77Å; C376-C391 WeakPolarHBondContact CB-SG 3.5Å; C376-C391 WeakPolarHBondContact SG-CA 3.43Å; C376-C391 WeakPolarHBondContact SG-CB 3.46Å; C376-C391 CovalentContact SG-SG 2.04Å; C376-C391 PolarHBondContact SG-SG 3.44Å; C391-P400 WeakPolarHBondContact CB-O 3.44Å; C391-C402 VanDerWaalsContact CB-SG 3.52Å
392	V	82.7	Confident	76.1	Confident	63 Å²	63	58.2 Å²	58.2	38%	0.382	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	104.5	173	-177.9	0	0	0	0	108.3	G380 T381 I383	G380-V392 CarbonylContact C-O 3.58Å; G380-V392 WeakPolarHBondContact CA-O 3.49Å; T381-V392 PolarHBondContact N-O 3.48Å; T381-V392 PolarHBondContact O-N 3.46Å; I383-V392 HydrophobicContact CD1-CG2 3.69Å; I383-V392 HydrophobicContact CG1-CG2 4.37Å
393	C	80.6	Confident	76.4	Confident	16 Å²	16	60.4 Å²	60.4	11%	0.108	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-77.8	137.1	-171.6	-46.9	0	0	0	0	112.5	F397 C402 K468	C393-F397 HydrophobicContact CB-CB 4.27Å; C393-F397 VanDerWaalsContact CB-O 3.24Å; C393-F397 WeakPolarHBondContact CB-O 3.46Å; C393-C402 WeakPolarHBondContact CA-SG 3.04Å; C393-C402 HydrophobicContact CB-CB 3.69Å; C393-C402 WeakPolarHBondContact CB-SG 3.12Å; C393-C402 PolarHBondContact N-SG 3.49Å; C393-C402 VanDerWaalsContact N-SG 3.4Å; C393-C402 WeakPolarHBondContact SG-CA 3.15Å; C393-C402 WeakPolarHBondContact SG-CB 3.34Å; C393-C402 CovalentContact SG-SG 2.04Å; C393-C402 PolarHBondContact SG-SG 3.01Å; C393-K468 PolarHBondContact O-NZ 2.9Å
394	L	79.9	Confident	76.9	Confident	76 Å²	76	60.2 Å²	60.2	40%	0.398	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-58.3	158.7	168.4	-68.2	176.9	0	0	0	111	G396 F397	L394-G396 PolarHBondContact O-N 2.83Å; L394-F397 HydrophobicContact CB-CD2 4.08Å; L394-F397 PolarHBondContact O-N 3.11Å
395	P	72.9	Confident	77.5	Confident	60 Å²	60	60.9 Å²	60.9	39%	0.39	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	140.1	171.3	-24.9	34.8	0	0	0	111.2	F397 L425 Y432	P395-F397 VanDerWaalsContact C-N 3.34Å; P395-F397 WeakPolarHBondContact O-CD2 3.24Å; P395-L425 VanDerWaalsContact O-CD1 3.31Å; P395-L425 WeakPolarHBondContact O-CD1 3.26Å; P395-Y432 HydrophobicContact CB-CD1 3.73Å; P395-Y432 HydrophobicContact CB-CD2 4.16Å; P395-Y432 HydrophobicContact CB-CE1 4.05Å; P395-Y432 HydrophobicContact CB-CE2 4.44Å; P395-Y432 HydrophobicContact CB-CG 3.79Å
396	G	74.7	Confident	77.7	Confident	2 Å²	2	56.7 Å²	56.7	2%	0.021	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	1.8	-177.9	0	0	0	0	0	115.8	L394 L406	L394-G396 PolarHBondContact O-N 2.83Å; G396-L406 WeakPolarHBondContact O-CB 3.16Å; G396-L406 PolarHBondContact O-N 2.98Å
397	F	82.1	Confident	78.4	Confident	32 Å²	32	55.7 Å²	55.7	14%	0.14	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	145.3	175.9	-55.3	-82.3	0	0	0	111.9	N378 C393 L394 P395 T404 V405 L425	N378-F397 HydrophobicContact CB-CB 4.42Å; N378-F397 HydrophobicContact CB-CD1 3.41Å; N378-F397 VanDerWaalsContact CB-CD1 3.41Å; N378-F397 HydrophobicContact CB-CD2 4.2Å; N378-F397 HydrophobicContact CB-CE1 3.59Å; N378-F397 HydrophobicContact CB-CE2 4.35Å; N378-F397 HydrophobicContact CB-CG 3.74Å; N378-F397 HydrophobicContact CB-CZ 4.07Å; N378-F397 WeakPolarHBondContact ND2-CD1 3.42Å; C393-F397 HydrophobicContact CB-CB 4.27Å; C393-F397 VanDerWaalsContact CB-O 3.24Å; C393-F397 WeakPolarHBondContact CB-O 3.46Å; L394-F397 HydrophobicContact CB-CD2 4.08Å; L394-F397 PolarHBondContact O-N 3.11Å; P395-F397 VanDerWaalsContact C-N 3.34Å; P395-F397 WeakPolarHBondContact O-CD2 3.24Å; F397-T404 CarbonylContact C-O 3.56Å; F397-T404 WeakPolarHBondContact CA-O 3.42Å; F397-V405 HydrophobicContact CD1-CG2 4.16Å; F397-V405 HydrophobicContact CE1-CG1 4.37Å; F397-V405 HydrophobicContact CE1-CG2 3.98Å; F397-L425 HydrophobicContact CE2-CD1 4.29Å
398	S	78.4	Confident	78.8	Confident	25 Å²	25	48.9 Å²	48.9	18%	0.175	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	-177.4	-176.5	66.7	0	0	0	0	111.6	C402 E403 T404 L406	S398-C402 CarbonylContact O-C 3.04Å; S398-C402 VanDerWaalsContact O-C 3.22Å; S398-C402 VanDerWaalsContact O-CA 3.26Å; S398-C402 WeakPolarHBondContact O-CA 3.34Å; S398-E403 PolarHBondContact O-N 2.91Å; S398-T404 PolarHBondContact N-O 3.41Å; S398-T404 WeakPolarHBondContact O-CB 3.35Å; S398-T404 PolarHBondContact O-N 3.01Å; S398-T404 PolarHBondContact OG-O 3.44Å; S398-L406 WeakPolarHBondContact OG-CD2 3.21Å
399	G	79.4	Confident	78.9	Confident	33 Å²	33	47.6 Å²	47.6	34%	0.34	27%	0.273	S	S	.	.	S	Bend	trans	91	162.2	-171.9	0	0	0	0	0	113.1	N401 C402 E403	G399-N401 PolarHBondContact O-N 2.79Å; G399-C402 PolarHBondContact O-N 2.61Å; G399-E403 WeakPolarHBondContact CA-OE1 3.43Å
400	P	81	Confident	78.6	Confident	103 Å²	103	47.1 Å²	47.1	67%	0.669	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.8	-175.4	26.6	-35.5	0	0	0	113.2	C391	C391-P400 WeakPolarHBondContact CB-O 3.44Å
401	N	87	Confident	77.6	Confident	50 Å²	50	49.8 Å²	49.8	27%	0.267	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	15.3	-178.8	-77	60.6	0	0	0	111.3	E375 K377 G399 E403	E375-N401 WeakPolarHBondContact O-CB 3.01Å; E375-N401 PolarHBondContact O-ND2 2.67Å; E375-N401 PolarHBondContact OE2-ND2 3.13Å; K377-N401 WeakPolarHBondContact CB-O 3.35Å; K377-N401 PolarHBondContact N-O 2.88Å; G399-N401 PolarHBondContact O-N 2.79Å; N401-E403 VanDerWaalsContact C-OE2 3.26Å; N401-E403 VanDerWaalsContact CA-OE2 3.32Å; N401-E403 WeakPolarHBondContact CA-OE2 3.43Å; N401-E403 WeakPolarHBondContact CB-OE2 3.1Å; N401-E403 PolarHBondContact N-OE2 2.91Å; N401-E403 PolarHBondContact O-N 3.17Å
402	C	86.7	Confident	76.3	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	35%	0.347	C	S	.	.	S	Bend	trans	59	23.1	-176.5	-51.1	0	0	0	0	114.8	K377 N378 C391 C393 S398 G399	K377-C402 WeakPolarHBondContact O-CB 3.26Å; N378-C402 PolarHBondContact ND2-O 3.13Å; C391-C402 VanDerWaalsContact CB-SG 3.52Å; C393-C402 WeakPolarHBondContact CA-SG 3.04Å; C393-C402 HydrophobicContact CB-CB 3.69Å; C393-C402 WeakPolarHBondContact CB-SG 3.12Å; C393-C402 PolarHBondContact N-SG 3.49Å; C393-C402 VanDerWaalsContact N-SG 3.4Å; C393-C402 WeakPolarHBondContact SG-CA 3.15Å; C393-C402 WeakPolarHBondContact SG-CB 3.34Å; C393-C402 CovalentContact SG-SG 2.04Å; C393-C402 PolarHBondContact SG-SG 3.01Å; S398-C402 CarbonylContact O-C 3.04Å; S398-C402 VanDerWaalsContact O-C 3.22Å; S398-C402 VanDerWaalsContact O-CA 3.26Å; S398-C402 WeakPolarHBondContact O-CA 3.34Å; G399-C402 PolarHBondContact O-N 2.61Å
403	E	86.7	Confident	74.9	Confident	79 Å²	79	62 Å²	62	37%	0.369	36%	0.359	S	S	.	.			trans	-77.9	-23.4	-174.4	74.7	-60	146.9	0	0	114	K377 S398 G399 N401	K377-E403 HydrophobicContact CB-CB 4.35Å; K377-E403 HydrophobicContact CG-CB 3.97Å; S398-E403 PolarHBondContact O-N 2.91Å; G399-E403 WeakPolarHBondContact CA-OE1 3.43Å; N401-E403 VanDerWaalsContact C-OE2 3.26Å; N401-E403 VanDerWaalsContact CA-OE2 3.32Å; N401-E403 WeakPolarHBondContact CA-OE2 3.43Å; N401-E403 WeakPolarHBondContact CB-OE2 3.1Å; N401-E403 PolarHBondContact N-OE2 2.91Å; N401-E403 PolarHBondContact O-N 3.17Å
404	T	81.8	Confident	73.9	Confident	68 Å²	68	64.5 Å²	64.5	42%	0.417	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.7	-174.5	-63	0	0	0	0	111.2	F397 S398	F397-T404 CarbonylContact C-O 3.56Å; F397-T404 WeakPolarHBondContact CA-O 3.42Å; S398-T404 PolarHBondContact N-O 3.41Å; S398-T404 WeakPolarHBondContact O-CB 3.35Å; S398-T404 PolarHBondContact O-N 3.01Å; S398-T404 PolarHBondContact OG-O 3.44Å
405	V	81.8	Confident	73.6	Confident	62 Å²	62	66.3 Å²	66.3	38%	0.376	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.7	175.2	-174.1	0	0	0	0	110.1	F397 Q429	F397-V405 HydrophobicContact CD1-CG2 4.16Å; F397-V405 HydrophobicContact CE1-CG1 4.37Å; F397-V405 HydrophobicContact CE1-CG2 3.98Å; V405-Q429 WeakPolarHBondContact CG1-O 3.38Å
406	L	72.5	Confident	73.9	Confident	24 Å²	24	64.3 Å²	64.3	13%	0.126	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-76.9	128.4	176.5	-66.2	172.5	0	0	0	110.7	G396 S398 L408 G430 S431 D442	G396-L406 WeakPolarHBondContact O-CB 3.16Å; G396-L406 PolarHBondContact O-N 2.98Å; S398-L406 WeakPolarHBondContact OG-CD2 3.21Å; L406-L408 HydrophobicContact CB-CD1 4.04Å; L406-L408 HydrophobicContact CB-CG 4.2Å; L406-L408 HydrophobicContact CD1-CD1 4.01Å; L406-L408 HydrophobicContact CG-CD1 4.46Å; L406-G430 CarbonylContact O-C 3.54Å; L406-G430 VanDerWaalsContact O-CA 3.23Å; L406-G430 WeakPolarHBondContact O-CA 3.48Å; L406-S431 WeakPolarHBondContact CB-O 3.46Å; L406-S431 PolarHBondContact O-N 3.49Å; L406-D442 HydrophobicContact CD1-CB 4.33Å
407	K	75.1	Confident	74.2	Confident	156 Å²	156	69.6 Å²	69.6	68%	0.678	40%	0.397	S	S	*	.			trans	-117.4	70	172.8	-64.8	-166.5	177.4	-167.9	0	109.8
408	L	68.6	Low	74.3	Confident	9 Å²	9	71.6 Å²	71.6	5%	0.047	41%	0.409	C	S	.	.			trans	-83.7	-22.2	-175.2	-70.9	164.9	0	0	0	113.4	L406 F415 C422 S431 D442 H443	L406-L408 HydrophobicContact CB-CD1 4.04Å; L406-L408 HydrophobicContact CB-CG 4.2Å; L406-L408 HydrophobicContact CD1-CD1 4.01Å; L406-L408 HydrophobicContact CG-CD1 4.46Å; L408-F415 PolarHBondContact O-N 3.21Å; L408-C422 VanDerWaalsContact C-SG 3.57Å; L408-C422 PolarHBondContact O-SG 3.3Å; L408-C422 VanDerWaalsContact O-SG 3.4Å; L408-S431 PolarHBondContact N-OG 3.31Å; L408-D442 HydrophobicContact CD1-CB 4.48Å; L408-D442 VanDerWaalsContact CD1-O 3.28Å; L408-D442 WeakPolarHBondContact CD1-O 3.46Å; L408-H443 WeakPolarHBondContact CD2-CE1 3.39Å; L408-H443 WeakPolarHBondContact CD2-ND1 3.44Å
409	C	70.1	Confident	74.4	Confident	12 Å²	12	73.1 Å²	73.1	8%	0.081	43%	0.429	C	S	.	.			trans	-109.1	129.1	174.6	-45.2	0	0	0	0	110.4	C422 I423 F424 S431	C409-C422 WeakPolarHBondContact CA-SG 2.99Å; C409-C422 HydrophobicContact CB-CB 4.08Å; C409-C422 WeakPolarHBondContact CB-SG 3Å; C409-C422 PolarHBondContact N-SG 3.42Å; C409-C422 VanDerWaalsContact SG-CA 3.53Å; C409-C422 WeakPolarHBondContact SG-CB 3.31Å; C409-C422 CovalentContact SG-SG 2.02Å; C409-C422 PolarHBondContact SG-SG 2.88Å; C409-I423 PolarHBondContact SG-N 3.15Å; C409-I423 VanDerWaalsContact SG-N 3.37Å; C409-F424 HydrophobicContact CB-CD1 4.08Å; C409-F424 HydrophobicContact CB-CD2 4.17Å; C409-F424 HydrophobicContact CB-CE1 3.55Å; C409-F424 HydrophobicContact CB-CE2 3.65Å; C409-F424 HydrophobicContact CB-CG 4.38Å; C409-F424 HydrophobicContact CB-CZ 3.32Å; C409-F424 WeakPolarHBondContact O-CE1 3.03Å; C409-S431 PolarHBondContact N-OG 2.91Å; C409-S431 WeakPolarHBondContact SG-CB 3.47Å
410	G	66.7	Low	74.5	Confident	43 Å²	43	72.1 Å²	72.1	44%	0.443	42%	0.418	S	S	.	.			trans	-168.3	164.7	175.9	0	0	0	0	0	110.8	E412 K413	G410-E412 PolarHBondContact O-N 3.41Å; G410-E412 VanDerWaalsContact O-N 3.11Å; G410-K413 PolarHBondContact O-N 2.86Å
411	A	57.4	Low	74.6	Confident	119 Å²	119	70.7 Å²	70.7	98%	0.983	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-25	-171.4	0	0	0	0	0	114.7
412	E	55.5	Low	74.3	Confident	188 Å²	188	70.2 Å²	70.2	88%	0.879	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-10.7	-171.7	-59.5	-172.3	169	0	0	114.7	G410	G410-E412 PolarHBondContact O-N 3.41Å; G410-E412 VanDerWaalsContact O-N 3.11Å
413	K	54	Low	74.1	Confident	145 Å²	145	72.6 Å²	72.6	63%	0.63	42%	0.423	S	S	*	.			trans	-174.7	130.5	168.5	-102.3	140.6	-174.6	172.8	0	111.2	G410 F415	G410-K413 PolarHBondContact O-N 2.86Å; K413-F415 HydrophobicContact CB-CD2 3.67Å; K413-F415 HydrophobicContact CB-CE2 3.52Å; K413-F415 HydrophobicContact CB-CG 4.45Å; K413-F415 HydrophobicContact CB-CZ 4.2Å; K413-F415 HydrophobicContact CD-CE2 3.93Å; K413-F415 HydrophobicContact CD-CZ 3.82Å; K413-F415 HydrophobicContact CG-CE2 4.16Å; K413-F415 HydrophobicContact CG-CZ 4.35Å
414	A	59	Low	73.6	Confident	68 Å²	68	74.6 Å²	74.6	56%	0.562	43%	0.431	S	S	*	.			trans	-89	106.1	159.9	0	0	0	0	0	108.6	C416 C422	A414-C416 PolarHBondContact O-N 3.43Å; A414-C422 HydrophobicContact CB-CB 4.16Å
415	F	75	Confident	73	Confident	114 Å²	114	74.7 Å²	74.7	50%	0.5	43%	0.429	S	S	.	.			trans	-84.1	42.2	-173.1	-87.4	-81.7	0	0	0	113.4	L408 K413 H443	L408-F415 PolarHBondContact O-N 3.21Å; K413-F415 HydrophobicContact CB-CD2 3.67Å; K413-F415 HydrophobicContact CB-CE2 3.52Å; K413-F415 HydrophobicContact CB-CG 4.45Å; K413-F415 HydrophobicContact CB-CZ 4.2Å; K413-F415 HydrophobicContact CD-CE2 3.93Å; K413-F415 HydrophobicContact CD-CZ 3.82Å; K413-F415 HydrophobicContact CG-CE2 4.16Å; K413-F415 HydrophobicContact CG-CZ 4.35Å; F415-H443 PolarHBondContact O-ND1 3.06Å
416	C	78.7	Confident	72.3	Confident	19 Å²	19	75 Å²	75	13%	0.128	43%	0.43	C	S	.	.			trans	-107.8	104.4	178.4	-54.6	0	0	0	0	110.4	A414 G420 C422 C433	A414-C416 PolarHBondContact O-N 3.43Å; C416-G420 VanDerWaalsContact CB-O 3.22Å; C416-G420 WeakPolarHBondContact CB-O 3.22Å; C416-C422 VanDerWaalsContact SG-CB 3.6Å; C416-C422 PolarHBondContact SG-SG 3.23Å; C416-C433 WeakPolarHBondContact CA-SG 3.41Å; C416-C433 HydrophobicContact CB-CB 3.71Å; C416-C433 WeakPolarHBondContact CB-SG 3.24Å; C416-C433 VanDerWaalsContact SG-CA 3.53Å; C416-C433 WeakPolarHBondContact SG-CB 3.41Å; C416-C433 CovalentContact SG-SG 2.03Å; C416-C433 PolarHBondContact SG-SG 3.15Å
417	E	81.8	Confident	71.6	Confident	113 Å²	113	82.6 Å²	82.6	53%	0.528	47%	0.466	S	S	.	.			trans	-79.6	173.6	-179.2	-67.9	-166.8	-162.8	0	0	112.7	G419 G420 H443 C444 T445	E417-G419 PolarHBondContact O-N 3.45Å; E417-G420 PolarHBondContact O-N 2.9Å; E417-H443 PolarHBondContact N-O 3.07Å; E417-C444 VanDerWaalsContact O-CB 3.31Å; E417-C444 WeakPolarHBondContact O-CB 3.46Å; E417-T445 HydrophobicContact CB-CG2 4.13Å; E417-T445 HydrophobicContact CG-CG2 4Å
418	N	82.9	Confident	70.8	Confident	73 Å²	73	81.3 Å²	81.3	39%	0.39	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	27.9	173.7	-58.2	-65.8	0	0	0	115.1	T436 F439 C444	N418-T436 PolarHBondContact O-OG1 2.81Å; N418-F439 HydrophobicContact CB-CB 4.23Å; N418-F439 HydrophobicContact CB-CD1 3.37Å; N418-F439 HydrophobicContact CB-CD2 3.8Å; N418-F439 HydrophobicContact CB-CE1 3.5Å; N418-F439 HydrophobicContact CB-CE2 3.92Å; N418-F439 HydrophobicContact CB-CG 3.51Å; N418-F439 HydrophobicContact CB-CZ 3.77Å; N418-F439 WeakPolarHBondContact ND2-CD1 3.49Å; N418-F439 WeakPolarHBondContact OD1-CE1 3.12Å; N418-C444 PolarHBondContact ND2-O 2.92Å
419	G	80.5	Confident	70.7	Confident	57 Å²	57	86.8 Å²	86.8	59%	0.588	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	11.9	-179.7	0	0	0	0	0	114.8	E417 T436	E417-G419 PolarHBondContact O-N 3.45Å; G419-T436 VanDerWaalsContact O-CG2 3.31Å; G419-T436 WeakPolarHBondContact O-CG2 3.01Å
420	G	82.1	Confident	70.5	Confident	12 Å²	12	86.4 Å²	86.4	12%	0.124	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-58	137.2	174.4	0	0	0	0	0	112.3	C416 E417 K434	C416-G420 VanDerWaalsContact CB-O 3.22Å; C416-G420 WeakPolarHBondContact CB-O 3.22Å; E417-G420 PolarHBondContact O-N 2.9Å; G420-K434 CarbonylContact C-O 3.55Å; G420-K434 WeakPolarHBondContact CA-O 3.26Å
421	S	82.2	Confident	70.9	Confident	73 Å²	73	84.5 Å²	84.5	51%	0.51	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.9	177.8	-58.7	0	0	0	0	110.5	K434	S421-K434 PolarHBondContact N-O 2.9Å; S421-K434 PolarHBondContact O-N 3.31Å
422	C	81.9	Confident	71.7	Confident	40 Å²	40	82.1 Å²	82.1	27%	0.27	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	127.2	179.5	-146.3	0	0	0	0	110.8	L408 C409 A414 C416	L408-C422 VanDerWaalsContact C-SG 3.57Å; L408-C422 PolarHBondContact O-SG 3.3Å; L408-C422 VanDerWaalsContact O-SG 3.4Å; C409-C422 WeakPolarHBondContact CA-SG 2.99Å; C409-C422 HydrophobicContact CB-CB 4.08Å; C409-C422 WeakPolarHBondContact CB-SG 3Å; C409-C422 PolarHBondContact N-SG 3.42Å; C409-C422 VanDerWaalsContact SG-CA 3.53Å; C409-C422 WeakPolarHBondContact SG-CB 3.31Å; C409-C422 CovalentContact SG-SG 2.02Å; C409-C422 PolarHBondContact SG-SG 2.88Å; A414-C422 HydrophobicContact CB-CB 4.16Å; C416-C422 VanDerWaalsContact SG-CB 3.6Å; C416-C422 PolarHBondContact SG-SG 3.23Å
423	I	81.3	Confident	72.8	Confident	51 Å²	51	73.7 Å²	73.7	26%	0.262	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.5	-176.8	-59	-174.1	0	0	0	110.5	C409 S431 Y432 K434	C409-I423 PolarHBondContact SG-N 3.15Å; C409-I423 VanDerWaalsContact SG-N 3.37Å; I423-S431 CarbonylContact O-C 3.52Å; I423-S431 WeakPolarHBondContact O-CA 3.21Å; I423-S431 VanDerWaalsContact O-CB 3.24Å; I423-S431 WeakPolarHBondContact O-CB 3.38Å; I423-Y432 HydrophobicContact CB-CD1 4.29Å; I423-Y432 HydrophobicContact CB-CE1 3.85Å; I423-Y432 HydrophobicContact CB-CE2 4.31Å; I423-Y432 HydrophobicContact CD1-CE2 4.24Å; I423-Y432 HydrophobicContact CG2-CD1 4.44Å; I423-Y432 HydrophobicContact CG2-CE1 3.64Å; I423-Y432 PolarHBondContact N-O 3.09Å; I423-Y432 PolarHBondContact O-N 3.26Å; I423-K434 HydrophobicContact CD1-CB 3.67Å; I423-K434 HydrophobicContact CD1-CD 3.73Å; I423-K434 HydrophobicContact CD1-CG 4.32Å; I423-K434 HydrophobicContact CG1-CB 4.25Å
424	F	75.8	Confident	74.1	Confident	120 Å²	120	73 Å²	73	53%	0.526	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	143.5	168.5	-62.1	-92.4	0	0	0	110.5	C409	C409-F424 HydrophobicContact CB-CD1 4.08Å; C409-F424 HydrophobicContact CB-CD2 4.17Å; C409-F424 HydrophobicContact CB-CE1 3.55Å; C409-F424 HydrophobicContact CB-CE2 3.65Å; C409-F424 HydrophobicContact CB-CG 4.38Å; C409-F424 HydrophobicContact CB-CZ 3.32Å; C409-F424 WeakPolarHBondContact O-CE1 3.03Å
425	L	69.8	Low	74.9	Confident	71 Å²	71	71 Å²	71	37%	0.372	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-50.3	172.9	-66.7	162.7	0	0	0	110.4	P395 F397 G430 Y432	P395-L425 VanDerWaalsContact O-CD1 3.31Å; P395-L425 WeakPolarHBondContact O-CD1 3.26Å; F397-L425 HydrophobicContact CE2-CD1 4.29Å; L425-G430 PolarHBondContact N-O 3.28Å; L425-Y432 HydrophobicContact CD2-CD1 4.03Å; L425-Y432 HydrophobicContact CD2-CE1 3.81Å; L425-Y432 HydrophobicContact CG-CD1 4.24Å; L425-Y432 HydrophobicContact CG-CE1 4.42Å
426	T	67.2	Low	75.1	Confident	67 Å²	67	67.9 Å²	67.9	41%	0.411	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	171.9	158.8	61.1	0	0	0	0	107.1	N428 Q429	T426-N428 PolarHBondContact O-N 3.2Å; T426-Q429 VanDerWaalsContact OG1-CB 3.27Å; T426-Q429 WeakPolarHBondContact OG1-CB 3.43Å; T426-Q429 VanDerWaalsContact OG1-CD 3.26Å; T426-Q429 VanDerWaalsContact OG1-CG 3.24Å; T426-Q429 WeakPolarHBondContact OG1-CG 3.43Å; T426-Q429 PolarHBondContact OG1-N 3.34Å; T426-Q429 PolarHBondContact OG1-OE1 3.25Å
427	E	58	Low	74.8	Confident	185 Å²	185	74.8 Å²	74.8	86%	0.864	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-16.8	-173.7	-65	-172	136	0	0	115.4
428	N	58.1	Low	74.3	Confident	129 Å²	129	73.6 Å²	73.6	69%	0.69	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.6	-8.1	179.2	-84	-72.7	0	0	0	116.4	T426	T426-N428 PolarHBondContact O-N 3.2Å
429	Q	66.1	Low	73.7	Confident	123 Å²	123	72 Å²	72	58%	0.575	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	1.8	-174.7	-66.3	171.8	-35	0	0	115	V405 T426	V405-Q429 WeakPolarHBondContact CG1-O 3.38Å; T426-Q429 VanDerWaalsContact OG1-CB 3.27Å; T426-Q429 WeakPolarHBondContact OG1-CB 3.43Å; T426-Q429 VanDerWaalsContact OG1-CD 3.26Å; T426-Q429 VanDerWaalsContact OG1-CG 3.24Å; T426-Q429 WeakPolarHBondContact OG1-CG 3.43Å; T426-Q429 PolarHBondContact OG1-N 3.34Å; T426-Q429 PolarHBondContact OG1-OE1 3.25Å
430	G	66.3	Low	73.2	Confident	5 Å²	5	69.3 Å²	69.3	5%	0.052	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	118.1	176.4	175.9	0	0	0	0	0	113.8	L406 L425	L406-G430 CarbonylContact O-C 3.54Å; L406-G430 VanDerWaalsContact O-CA 3.23Å; L406-G430 WeakPolarHBondContact O-CA 3.48Å; L425-G430 PolarHBondContact N-O 3.28Å
431	S	74.5	Confident	72.3	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.021	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	156.4	-174.8	43.5	0	0	0	0	112.1	L406 L408 C409 I423	L406-S431 WeakPolarHBondContact CB-O 3.46Å; L406-S431 PolarHBondContact O-N 3.49Å; L408-S431 PolarHBondContact N-OG 3.31Å; C409-S431 PolarHBondContact N-OG 2.91Å; C409-S431 WeakPolarHBondContact SG-CB 3.47Å; I423-S431 CarbonylContact O-C 3.52Å; I423-S431 WeakPolarHBondContact O-CA 3.21Å; I423-S431 VanDerWaalsContact O-CB 3.24Å; I423-S431 WeakPolarHBondContact O-CB 3.38Å
432	Y	75.2	Confident	71.7	Confident	68 Å²	68	70.5 Å²	70.5	27%	0.267	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	155.7	-179	70.6	-83.2	0	0	0	112.2	P395 I423 L425 K434	P395-Y432 HydrophobicContact CB-CD1 3.73Å; P395-Y432 HydrophobicContact CB-CD2 4.16Å; P395-Y432 HydrophobicContact CB-CE1 4.05Å; P395-Y432 HydrophobicContact CB-CE2 4.44Å; P395-Y432 HydrophobicContact CB-CG 3.79Å; I423-Y432 HydrophobicContact CB-CD1 4.29Å; I423-Y432 HydrophobicContact CB-CE1 3.85Å; I423-Y432 HydrophobicContact CB-CE2 4.31Å; I423-Y432 HydrophobicContact CD1-CE2 4.24Å; I423-Y432 HydrophobicContact CG2-CD1 4.44Å; I423-Y432 HydrophobicContact CG2-CE1 3.64Å; I423-Y432 PolarHBondContact N-O 3.09Å; I423-Y432 PolarHBondContact O-N 3.26Å; L425-Y432 HydrophobicContact CD2-CD1 4.03Å; L425-Y432 HydrophobicContact CD2-CE1 3.81Å; L425-Y432 HydrophobicContact CG-CD1 4.24Å; L425-Y432 HydrophobicContact CG-CE1 4.42Å; Y432-K434 HydrophobicContact CE2-CB 4.29Å
433	C	79.4	Confident	71.5	Confident	12 Å²	12	72.2 Å²	72.2	8%	0.081	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	121.1	172.4	-63.1	0	0	0	0	110.9	C416 C435 D442 C444	C416-C433 WeakPolarHBondContact CA-SG 3.41Å; C416-C433 HydrophobicContact CB-CB 3.71Å; C416-C433 WeakPolarHBondContact CB-SG 3.24Å; C416-C433 VanDerWaalsContact SG-CA 3.53Å; C416-C433 WeakPolarHBondContact SG-CB 3.41Å; C416-C433 CovalentContact SG-SG 2.03Å; C416-C433 PolarHBondContact SG-SG 3.15Å; C433-C435 PolarHBondContact O-N 3.43Å; C433-D442 WeakPolarHBondContact CB-O 3.46Å; C433-D442 PolarHBondContact SG-O 3.42Å; C433-C444 WeakPolarHBondContact CB-SG 3.3Å
434	K	80.1	Confident	71.3	Confident	130 Å²	130	69.8 Å²	69.8	57%	0.565	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	101.4	168.2	179.7	178.9	178.2	178.5	0	108.9	G420 S421 I423 Y432	G420-K434 CarbonylContact C-O 3.55Å; G420-K434 WeakPolarHBondContact CA-O 3.26Å; S421-K434 PolarHBondContact N-O 2.9Å; S421-K434 PolarHBondContact O-N 3.31Å; I423-K434 HydrophobicContact CD1-CB 3.67Å; I423-K434 HydrophobicContact CD1-CD 3.73Å; I423-K434 HydrophobicContact CD1-CG 4.32Å; I423-K434 HydrophobicContact CG1-CB 4.25Å; Y432-K434 HydrophobicContact CE2-CB 4.29Å
435	C	76.3	Confident	71.5	Confident	25 Å²	25	67.4 Å²	67.4	17%	0.169	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-72.6	154.6	-172.8	-53	0	0	0	0	114	C433 F439 C444	C433-C435 PolarHBondContact O-N 3.43Å; C435-F439 HydrophobicContact CB-CB 4.34Å; C435-F439 WeakPolarHBondContact CB-O 3.27Å; C435-C444 WeakPolarHBondContact CA-SG 3.02Å; C435-C444 HydrophobicContact CB-CB 3.77Å; C435-C444 WeakPolarHBondContact CB-SG 3.46Å; C435-C444 WeakPolarHBondContact SG-CA 3.25Å; C435-C444 WeakPolarHBondContact SG-CB 3.25Å; C435-C444 CovalentContact SG-SG 2.04Å; C435-C444 PolarHBondContact SG-SG 2.85Å
436	T	79.9	Confident	71.6	Confident	50 Å²	50	68.3 Å²	68.3	31%	0.307	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-73.5	160.6	171.1	46.6	0	0	0	0	110.7	N418 G419 N438 F439	N418-T436 PolarHBondContact O-OG1 2.81Å; G419-T436 VanDerWaalsContact O-CG2 3.31Å; G419-T436 WeakPolarHBondContact O-CG2 3.01Å; T436-N438 PolarHBondContact O-N 2.85Å; T436-F439 PolarHBondContact O-N 3.08Å; T436-F439 VanDerWaalsContact OG1-CD2 3.27Å; T436-F439 WeakPolarHBondContact OG1-CD2 3.47Å
437	K	70.8	Confident	71.6	Confident	164 Å²	164	72.7 Å²	72.7	71%	0.713	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	129.8	176.7	-175	177.4	178.5	179.4	0	110
438	N	71.2	Confident	71.7	Confident	88 Å²	88	64.6 Å²	64.6	47%	0.471	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	13.6	-173.7	-36.9	-44.5	0	0	0	116	T436 K447 T448	T436-N438 PolarHBondContact O-N 2.85Å; N438-K447 CarbonylContact O-C 3.22Å; N438-K447 WeakPolarHBondContact O-CA 3.45Å; N438-T448 VanDerWaalsContact CA-OG1 3.25Å; N438-T448 WeakPolarHBondContact CA-OG1 2.8Å; N438-T448 PolarHBondContact O-N 2.73Å; N438-T448 PolarHBondContact O-OG1 2.73Å
439	F	71.7	Confident	71.6	Confident	40 Å²	40	62.3 Å²	62.3	18%	0.175	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	163.8	168.7	-63.6	-85.4	0	0	0	112.7	N418 C435 T436 C444 E446 K447 T448	N418-F439 HydrophobicContact CB-CB 4.23Å; N418-F439 HydrophobicContact CB-CD1 3.37Å; N418-F439 HydrophobicContact CB-CD2 3.8Å; N418-F439 HydrophobicContact CB-CE1 3.5Å; N418-F439 HydrophobicContact CB-CE2 3.92Å; N418-F439 HydrophobicContact CB-CG 3.51Å; N418-F439 HydrophobicContact CB-CZ 3.77Å; N418-F439 WeakPolarHBondContact ND2-CD1 3.49Å; N418-F439 WeakPolarHBondContact OD1-CE1 3.12Å; C435-F439 HydrophobicContact CB-CB 4.34Å; C435-F439 WeakPolarHBondContact CB-O 3.27Å; T436-F439 PolarHBondContact O-N 3.08Å; T436-F439 VanDerWaalsContact OG1-CD2 3.27Å; T436-F439 WeakPolarHBondContact OG1-CD2 3.47Å; F439-C444 HydrophobicContact CB-CB 4.49Å; F439-E446 CarbonylContact C-O 3.3Å; F439-E446 WeakPolarHBondContact CA-O 3.03Å; F439-K447 HydrophobicContact CD1-CG 4.02Å; F439-K447 HydrophobicContact CE1-CG 3.64Å; F439-K447 HydrophobicContact CZ-CG 4.41Å; F439-T448 VanDerWaalsContact C-CG2 3.45Å; F439-T448 VanDerWaalsContact C-OG1 3.31Å; F439-T448 WeakPolarHBondContact CA-OG1 3.47Å; F439-T448 PolarHBondContact N-OG1 3.11Å; F439-T448 WeakPolarHBondContact O-CG2 3.48Å; F439-T448 PolarHBondContact O-OG1 2.88Å
440	G	69.3	Low	71.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.6	-169.3	-173.4	0	0	0	0	0	114.3	C444 T445 E446	G440-C444 CarbonylContact O-C 3.52Å; G440-C444 VanDerWaalsContact O-C 3.31Å; G440-C444 WeakPolarHBondContact O-CA 3.16Å; G440-T445 PolarHBondContact O-N 3.06Å; G440-E446 PolarHBondContact N-O 2.79Å; G440-E446 PolarHBondContact O-N 3.15Å
441	G	63.8	Low	71.6	Confident	29 Å²	29	62.6 Å²	62.6	30%	0.299	31%	0.31	S	S	.	.	S	Bend	trans	74.7	165.3	-161.7	0	0	0	0	0	111.5	H443 C444	G441-H443 PolarHBondContact O-N 3.33Å; G441-C444 PolarHBondContact O-N 3Å
442	D	69.1	Low	71.4	Confident	81 Å²	81	68.6 Å²	68.6	43%	0.433	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.9	-168.4	-57.3	-33.7	0	0	0	113.8	L406 L408 C433	L406-D442 HydrophobicContact CD1-CB 4.33Å; L408-D442 HydrophobicContact CD1-CB 4.48Å; L408-D442 VanDerWaalsContact CD1-O 3.28Å; L408-D442 WeakPolarHBondContact CD1-O 3.46Å; C433-D442 WeakPolarHBondContact CB-O 3.46Å; C433-D442 PolarHBondContact SG-O 3.42Å
443	H	76.7	Confident	70.9	Confident	76 Å²	76	71.2 Å²	71.2	35%	0.352	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	3.7	178.3	-71.7	-82.8	0	0	0	114.6	L408 F415 E417 G441 T445	L408-H443 WeakPolarHBondContact CD2-CE1 3.39Å; L408-H443 WeakPolarHBondContact CD2-ND1 3.44Å; F415-H443 PolarHBondContact O-ND1 3.06Å; E417-H443 PolarHBondContact N-O 3.07Å; G441-H443 PolarHBondContact O-N 3.33Å; H443-T445 HydrophobicContact CB-CG2 3.77Å; H443-T445 PolarHBondContact O-N 2.8Å
444	C	77.6	Confident	70.5	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.381	C	S	.	.	S	Bend	trans	58.8	22.2	-170.2	-51	0	0	0	0	115.2	E417 N418 C433 C435 F439 G440 G441	E417-C444 VanDerWaalsContact O-CB 3.31Å; E417-C444 WeakPolarHBondContact O-CB 3.46Å; N418-C444 PolarHBondContact ND2-O 2.92Å; C433-C444 WeakPolarHBondContact CB-SG 3.3Å; C435-C444 WeakPolarHBondContact CA-SG 3.02Å; C435-C444 HydrophobicContact CB-CB 3.77Å; C435-C444 WeakPolarHBondContact CB-SG 3.46Å; C435-C444 WeakPolarHBondContact SG-CA 3.25Å; C435-C444 WeakPolarHBondContact SG-CB 3.25Å; C435-C444 CovalentContact SG-SG 2.04Å; C435-C444 PolarHBondContact SG-SG 2.85Å; F439-C444 HydrophobicContact CB-CB 4.49Å; G440-C444 CarbonylContact O-C 3.52Å; G440-C444 VanDerWaalsContact O-C 3.31Å; G440-C444 WeakPolarHBondContact O-CA 3.16Å; G441-C444 PolarHBondContact O-N 3Å
445	T	80.3	Confident	70.4	Confident	70 Å²	70	69.3 Å²	69.3	43%	0.429	36%	0.356	S	S	.	.			trans	-81.3	-30.8	179.7	45.9	0	0	0	0	113.3	E417 G440 H443	E417-T445 HydrophobicContact CB-CG2 4.13Å; E417-T445 HydrophobicContact CG-CG2 4Å; G440-T445 PolarHBondContact O-N 3.06Å; H443-T445 HydrophobicContact CB-CG2 3.77Å; H443-T445 PolarHBondContact O-N 2.8Å
446	E	71	Confident	70.6	Confident	89 Å²	89	68.3 Å²	68.3	42%	0.416	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	129.9	176.3	-58.8	-165.2	165.2	0	0	109.1	F439 G440 T448 K482	F439-E446 CarbonylContact C-O 3.3Å; F439-E446 WeakPolarHBondContact CA-O 3.03Å; G440-E446 PolarHBondContact N-O 2.79Å; G440-E446 PolarHBondContact O-N 3.15Å; E446-T448 PolarHBondContact O-N 3.28Å; E446-K482 IonicContact OE1-NZ 3.15Å; E446-K482 PolarHBondContact OE1-NZ 3.18Å; E446-K482 IonicContact OE2-NZ 3.78Å; E446-K482 PolarHBondContact OE2-NZ 3.37Å; E446-K482 VanDerWaalsContact OE2-NZ 3.15Å
447	K	68.9	Low	70.5	Confident	159 Å²	159	68.4 Å²	68.4	69%	0.691	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.1	164.1	-77.2	-179.1	179	177.2	0	108.3	N438 F439 E449	N438-K447 CarbonylContact O-C 3.22Å; N438-K447 WeakPolarHBondContact O-CA 3.45Å; F439-K447 HydrophobicContact CD1-CG 4.02Å; F439-K447 HydrophobicContact CE1-CG 3.64Å; F439-K447 HydrophobicContact CZ-CG 4.41Å; K447-E449 PolarHBondContact O-N 3.08Å
448	T	59	Low	70.7	Confident	16 Å²	16	66 Å²	66	10%	0.098	35%	0.347	C	S	.	.			trans	-81.1	86.3	-177.4	37.4	0	0	0	0	112.2	N438 F439 E446 Y450 H469	N438-T448 VanDerWaalsContact CA-OG1 3.25Å; N438-T448 WeakPolarHBondContact CA-OG1 2.8Å; N438-T448 PolarHBondContact O-N 2.73Å; N438-T448 PolarHBondContact O-OG1 2.73Å; F439-T448 VanDerWaalsContact C-CG2 3.45Å; F439-T448 VanDerWaalsContact C-OG1 3.31Å; F439-T448 WeakPolarHBondContact CA-OG1 3.47Å; F439-T448 PolarHBondContact N-OG1 3.11Å; F439-T448 WeakPolarHBondContact O-CG2 3.48Å; F439-T448 PolarHBondContact O-OG1 2.88Å; E446-T448 PolarHBondContact O-N 3.28Å; T448-Y450 PolarHBondContact O-N 3.13Å; T448-H469 WeakPolarHBondContact CB-O 3.44Å; T448-H469 HydrophobicContact CG2-CB 3.76Å; T448-H469 WeakPolarHBondContact CG2-O 3.44Å
449	E	57.3	Low	70.8	Confident	81 Å²	81	62.4 Å²	62.4	38%	0.379	33%	0.329	S	S	.	.			trans	-61.5	97	156.3	-66.8	172.8	178.3	0	0	108.9	K447 F471 K483	K447-E449 PolarHBondContact O-N 3.08Å; E449-F471 VanDerWaalsContact O-CD1 3.25Å; E449-F471 WeakPolarHBondContact O-CD1 3.44Å; E449-K483 IonicContact OE2-NZ 2.64Å; E449-K483 PolarHBondContact OE2-NZ 2.77Å
450	Y	66.1	Low	71.1	Confident	92 Å²	92	61.3 Å²	61.3	36%	0.361	33%	0.329	S	S	.	.			trans	-54.2	158.8	154.2	-68.7	-86.3	0	0	0	109.6	T448 Q452 H469	T448-Y450 PolarHBondContact O-N 3.13Å; Y450-Q452 PolarHBondContact O-N 3.23Å; Y450-H469 PolarHBondContact OH-ND1 3.42Å; Y450-H469 VanDerWaalsContact OH-ND1 3.08Å
451	C	66.1	Low	71.6	Confident	41 Å²	41	64.4 Å²	64.4	28%	0.277	35%	0.348	S	S	.	.			trans	-53.8	97.5	177.1	-67.7	0	0	0	0	113	C462 H463 N464	C451-C462 WeakPolarHBondContact CA-SG 3.01Å; C451-C462 HydrophobicContact CB-CB 3.63Å; C451-C462 WeakPolarHBondContact CB-SG 3.46Å; C451-C462 WeakPolarHBondContact SG-CB 3.44Å; C451-C462 CovalentContact SG-SG 2.03Å; C451-C462 PolarHBondContact SG-SG 3.45Å; C451-H463 VanDerWaalsContact SG-C 3.55Å; C451-H463 PolarHBondContact SG-N 3.44Å; C451-H463 VanDerWaalsContact SG-N 3.37Å; C451-N464 PolarHBondContact N-OD1 3.31Å; C451-N464 PolarHBondContact SG-OD1 2.66Å; C451-N464 VanDerWaalsContact SG-OD1 3.34Å
452	Q	69.8	Low	72.3	Confident	130 Å²	130	64.5 Å²	64.5	61%	0.607	34%	0.343	S	S	*	.			trans	-88.6	168.3	163.9	-65.8	172.6	11.6	0	0	108.2	Y450 D454 T455	Y450-Q452 PolarHBondContact O-N 3.23Å; Q452-D454 VanDerWaalsContact C-N 3.26Å; Q452-D454 PolarHBondContact O-N 2.04Å; Q452-T455 PolarHBondContact N-OG1 2.9Å; Q452-T455 PolarHBondContact O-N 3.38Å; Q452-T455 PolarHBondContact O-OG1 3.03Å; Q452-T455 VanDerWaalsContact O-OG1 3.07Å
453	T	65.2	Low	72.6	Confident	122 Å²	122	63.5 Å²	63.5	75%	0.748	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-47.9	-176.6	34	0	0	0	0	113	N458	T453-N458 PolarHBondContact O-OD1 2.85Å
454	D	70.8	Confident	72.2	Confident	96 Å²	96	63.7 Å²	63.7	51%	0.513	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	4.7	-166.9	-50.2	-86.7	0	0	0	113.7	Q452 C456 S457 N458	Q452-D454 VanDerWaalsContact C-N 3.26Å; Q452-D454 PolarHBondContact O-N 2.04Å; D454-C456 PolarHBondContact O-N 2.91Å; D454-S457 PolarHBondContact O-N 3.06Å; D454-N458 PolarHBondContact OD1-ND2 2.92Å
455	T	78.1	Confident	71.6	Confident	7 Å²	7	65.9 Å²	65.9	4%	0.043	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.9	-171.1	-55.8	0	0	0	0	113.5	Q452 F471 K483	Q452-T455 PolarHBondContact N-OG1 2.9Å; Q452-T455 PolarHBondContact O-N 3.38Å; Q452-T455 PolarHBondContact O-OG1 3.03Å; Q452-T455 VanDerWaalsContact O-OG1 3.07Å; T455-F471 HydrophobicContact CG2-CD1 4.03Å; T455-F471 HydrophobicContact CG2-CD2 3.64Å; T455-F471 HydrophobicContact CG2-CE1 3.99Å; T455-F471 HydrophobicContact CG2-CE2 3.62Å; T455-F471 HydrophobicContact CG2-CG 3.88Å; T455-F471 HydrophobicContact CG2-CZ 3.81Å; T455-K483 WeakPolarHBondContact O-CB 3.07Å; T455-K483 VanDerWaalsContact O-CD 3.26Å; T455-K483 WeakPolarHBondContact O-CD 3.13Å; T455-K483 VanDerWaalsContact O-CG 3.22Å; T455-K483 WeakPolarHBondContact O-CG 3.24Å
456	C	79.6	Confident	70.7	Confident	4 Å²	4	67.8 Å²	67.8	3%	0.027	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	33.4	177.1	-58.6	0	0	0	0	113	D454 N458 S459 G460 C462 C473 K483	D454-C456 PolarHBondContact O-N 2.91Å; C456-N458 PolarHBondContact O-N 3.5Å; C456-S459 WeakPolarHBondContact O-CA 3.34Å; C456-S459 PolarHBondContact O-N 2.88Å; C456-G460 WeakPolarHBondContact CB-O 3.24Å; C456-G460 PolarHBondContact O-N 3.06Å; C456-C462 WeakPolarHBondContact SG-CA 3.32Å; C456-C462 WeakPolarHBondContact SG-CB 3.34Å; C456-C473 WeakPolarHBondContact CA-SG 3.25Å; C456-C473 HydrophobicContact CB-CB 3.77Å; C456-C473 WeakPolarHBondContact CB-SG 3.36Å; C456-C473 VanDerWaalsContact SG-CA 3.51Å; C456-C473 WeakPolarHBondContact SG-CB 3.44Å; C456-C473 CovalentContact SG-SG 2.03Å; C456-C473 PolarHBondContact SG-SG 2.88Å; C456-K483 CarbonylContact C-O 3.51Å; C456-K483 WeakPolarHBondContact CA-O 3.46Å
457	S	78.1	Confident	69.9	Low	51 Å²	51	72.2 Å²	72.2	36%	0.357	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	28.7	176.6	-49.9	0	0	0	0	113.5	D454 S459 K483	D454-S457 PolarHBondContact O-N 3.06Å; S457-S459 WeakPolarHBondContact O-CB 3.38Å; S457-S459 PolarHBondContact O-N 2.87Å; S457-S459 PolarHBondContact O-OG 3.17Å; S457-K483 VanDerWaalsContact CB-O 3.24Å; S457-K483 WeakPolarHBondContact CB-O 3.42Å; S457-K483 PolarHBondContact N-O 2.87Å; S457-K483 PolarHBondContact OG-O 3.32Å
458	N	74.9	Confident	69.2	Low	113 Å²	113	68.4 Å²	68.4	60%	0.604	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	25.9	-169.1	-61.4	-39.4	0	0	0	114.4	T453 D454 C456	T453-N458 PolarHBondContact O-OD1 2.85Å; D454-N458 PolarHBondContact OD1-ND2 2.92Å; C456-N458 PolarHBondContact O-N 3.5Å
459	S	74.3	Confident	69.2	Low	14 Å²	14	70.6 Å²	70.6	10%	0.098	38%	0.378	C	S	.	.	S	Bend	trans	-124.9	11.7	-168.7	-62.3	0	0	0	0	112.8	C456 S457 N476 R479 C484	C456-S459 WeakPolarHBondContact O-CA 3.34Å; C456-S459 PolarHBondContact O-N 2.88Å; S457-S459 WeakPolarHBondContact O-CB 3.38Å; S457-S459 PolarHBondContact O-N 2.87Å; S457-S459 PolarHBondContact O-OG 3.17Å; S459-N476 WeakPolarHBondContact O-CB 3.25Å; S459-N476 PolarHBondContact O-N 2.82Å; S459-R479 PolarHBondContact OG-NH1 2.72Å; S459-C484 WeakPolarHBondContact CB-O 3.2Å
460	G	76.7	Confident	69.4	Low	17 Å²	17	68.2 Å²	68.2	18%	0.175	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	165.8	179.6	0	0	0	0	0	111.9	C456 R474	C456-G460 WeakPolarHBondContact CB-O 3.24Å; C456-G460 PolarHBondContact O-N 3.06Å; G460-R474 CarbonylContact C-O 3.44Å; G460-R474 WeakPolarHBondContact CA-O 3Å
461	V	80.7	Confident	69.6	Low	65 Å²	65	65.2 Å²	65.2	39%	0.394	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127	176.4	-176.9	0	0	0	0	109.6	H463 R474	V461-H463 PolarHBondContact O-CD2 2.91Å; V461-R474 PolarHBondContact N-O 3.48Å; V461-R474 PolarHBondContact O-N 3.47Å
462	C	77.4	Confident	70	Confident	31 Å²	31	67.8 Å²	67.8	21%	0.209	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.5	175.4	-168.3	0	0	0	0	111.4	C451 C456	C451-C462 WeakPolarHBondContact CA-SG 3.01Å; C451-C462 HydrophobicContact CB-CB 3.63Å; C451-C462 WeakPolarHBondContact CB-SG 3.46Å; C451-C462 WeakPolarHBondContact SG-CB 3.44Å; C451-C462 CovalentContact SG-SG 2.03Å; C451-C462 PolarHBondContact SG-SG 3.45Å; C456-C462 WeakPolarHBondContact SG-CA 3.32Å; C456-C462 WeakPolarHBondContact SG-CB 3.34Å
463	H	76.3	Confident	70.3	Confident	59 Å²	59	62.4 Å²	62.4	27%	0.273	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.1	176	-65.2	-85.3	0	0	0	110.3	C451 V461 F471 Y472	C451-H463 VanDerWaalsContact SG-C 3.55Å; C451-H463 PolarHBondContact SG-N 3.44Å; C451-H463 VanDerWaalsContact SG-N 3.37Å; V461-H463 PolarHBondContact O-CD2 2.91Å; H463-F471 CarbonylContact O-C 3.53Å; H463-F471 VanDerWaalsContact O-CA 3.25Å; H463-F471 WeakPolarHBondContact O-CA 3.27Å; H463-Y472 HydrophobicContact CB-CD1 3.89Å; H463-Y472 HydrophobicContact CB-CD2 4.39Å; H463-Y472 HydrophobicContact CB-CE1 3.45Å; H463-Y472 VanDerWaalsContact CB-CE1 3.45Å; H463-Y472 HydrophobicContact CB-CE2 3.99Å; H463-Y472 HydrophobicContact CB-CG 4.35Å; H463-Y472 VanDerWaalsContact CB-CZ 3.49Å; H463-Y472 AromaticContact CD2-CE2 3.65Å; H463-Y472 AromaticContact CD2-CZ 3.79Å; H463-Y472 AromaticContact CG-CZ 3.69Å; H463-Y472 PolarHBondContact N-O 2.03Å; H463-Y472 PolarHBondContact O-N 3.07Å
464	N	68.9	Low	71	Confident	81 Å²	81	63.7 Å²	63.7	43%	0.433	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	143.9	174.6	-69.4	-46.9	0	0	0	111.1	C451	C451-N464 PolarHBondContact N-OD1 3.31Å; C451-N464 PolarHBondContact SG-OD1 2.66Å; C451-N464 VanDerWaalsContact SG-OD1 3.34Å
465	V	64.9	Low	71.4	Confident	45 Å²	45	61.1 Å²	61.1	27%	0.273	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	85	176.3	-175.8	0	0	0	0	108.3	E467 K468 H469 S470 Y472	V465-E467 VanDerWaalsContact C-N 3.27Å; V465-E467 PolarHBondContact O-N 3.22Å; V465-E467 VanDerWaalsContact O-N 3.15Å; V465-K468 PolarHBondContact O-N 3.16Å; V465-H469 PolarHBondContact O-N 2.66Å; V465-S470 PolarHBondContact N-O 2.95Å; V465-S470 PolarHBondContact O-N 2.03Å; V465-Y472 HydrophobicContact CG2-CD1 3.7Å; V465-Y472 HydrophobicContact CG2-CE1 4.27Å
466	T	59.9	Low	71.6	Confident	111 Å²	111	65 Å²	65	68%	0.681	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-54	-39.7	-166.9	-39.7	0	0	0	0	113.6	K468 H469	T466-K468 PolarHBondContact O-N 3.3Å; T466-H469 PolarHBondContact O-N 2.76Å
467	E	55	Low	71.4	Confident	182 Å²	182	70 Å²	70	85%	0.85	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-66.6	-32.7	-175.5	-63.2	173	-173.8	0	0	114.2	V465	V465-E467 VanDerWaalsContact C-N 3.27Å; V465-E467 PolarHBondContact O-N 3.22Å; V465-E467 VanDerWaalsContact O-N 3.15Å
468	K	53.5	Low	71.1	Confident	79 Å²	79	69 Å²	69	34%	0.343	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-105.6	9.8	178.4	-60	-166.2	-179.4	-169.9	0	112.3	C393 V465 T466 S470	C393-K468 PolarHBondContact O-NZ 2.9Å; V465-K468 PolarHBondContact O-N 3.16Å; T466-K468 PolarHBondContact O-N 3.3Å; K468-S470 PolarHBondContact O-N 3.47Å
469	H	59.2	Low	71.3	Confident	61 Å²	61	67.3 Å²	67.3	28%	0.282	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	9.5	-169.7	-69.8	-86.1	0	0	0	115.4	T448 Y450 V465 T466	T448-H469 WeakPolarHBondContact CB-O 3.44Å; T448-H469 HydrophobicContact CG2-CB 3.76Å; T448-H469 WeakPolarHBondContact CG2-O 3.44Å; Y450-H469 PolarHBondContact OH-ND1 3.42Å; Y450-H469 VanDerWaalsContact OH-ND1 3.08Å; V465-H469 PolarHBondContact O-N 2.66Å; T466-H469 PolarHBondContact O-N 2.76Å
470	S	60.9	Low	71.3	Confident	32 Å²	32	69.3 Å²	69.3	22%	0.224	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-175.8	-169.4	63.3	0	0	0	0	112.8	V465 K468	V465-S470 PolarHBondContact N-O 2.95Å; V465-S470 PolarHBondContact O-N 2.03Å; K468-S470 PolarHBondContact O-N 3.47Å
471	F	71.7	Confident	71	Confident	28 Å²	28	70.3 Å²	70.3	12%	0.123	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	163.5	170.6	73.4	-83.8	0	0	0	110.2	E449 T455 H463 K483	E449-F471 VanDerWaalsContact O-CD1 3.25Å; E449-F471 WeakPolarHBondContact O-CD1 3.44Å; T455-F471 HydrophobicContact CG2-CD1 4.03Å; T455-F471 HydrophobicContact CG2-CD2 3.64Å; T455-F471 HydrophobicContact CG2-CE1 3.99Å; T455-F471 HydrophobicContact CG2-CE2 3.62Å; T455-F471 HydrophobicContact CG2-CG 3.88Å; T455-F471 HydrophobicContact CG2-CZ 3.81Å; H463-F471 CarbonylContact O-C 3.53Å; H463-F471 VanDerWaalsContact O-CA 3.25Å; H463-F471 WeakPolarHBondContact O-CA 3.27Å; F471-K483 HydrophobicContact CE2-CG 4.11Å; F471-K483 HydrophobicContact CZ-CD 4.3Å; F471-K483 VanDerWaalsContact CZ-CE 3.4Å; F471-K483 HydrophobicContact CZ-CG 3.95Å
472	Y	74.8	Confident	70.9	Confident	95 Å²	95	73.2 Å²	73.2	37%	0.373	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.3	158.6	74.9	-91.2	0	0	0	110.9	H463 V465	H463-Y472 HydrophobicContact CB-CD1 3.89Å; H463-Y472 HydrophobicContact CB-CD2 4.39Å; H463-Y472 HydrophobicContact CB-CE1 3.45Å; H463-Y472 VanDerWaalsContact CB-CE1 3.45Å; H463-Y472 HydrophobicContact CB-CE2 3.99Å; H463-Y472 HydrophobicContact CB-CG 4.35Å; H463-Y472 VanDerWaalsContact CB-CZ 3.49Å; H463-Y472 AromaticContact CD2-CE2 3.65Å; H463-Y472 AromaticContact CD2-CZ 3.79Å; H463-Y472 AromaticContact CG-CZ 3.69Å; H463-Y472 PolarHBondContact N-O 2.03Å; H463-Y472 PolarHBondContact O-N 3.07Å; V465-Y472 HydrophobicContact CG2-CD1 3.7Å; V465-Y472 HydrophobicContact CG2-CE1 4.27Å
473	C	74.8	Confident	71.1	Confident	17 Å²	17	75 Å²	75	12%	0.115	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.3	175.3	-66	0	0	0	0	111.3	C456 C484	C456-C473 WeakPolarHBondContact CA-SG 3.25Å; C456-C473 HydrophobicContact CB-CB 3.77Å; C456-C473 WeakPolarHBondContact CB-SG 3.36Å; C456-C473 VanDerWaalsContact SG-CA 3.51Å; C456-C473 WeakPolarHBondContact SG-CB 3.44Å; C456-C473 CovalentContact SG-SG 2.03Å; C456-C473 PolarHBondContact SG-SG 2.88Å; C473-C484 VanDerWaalsContact CB-SG 3.52Å
474	R	80.3	Confident	71.4	Confident	150 Å²	150	72.2 Å²	72.2	57%	0.566	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	95.7	167.6	-178	171.8	65.4	119	3.2	108.1	G460 V461	G460-R474 CarbonylContact C-O 3.44Å; G460-R474 WeakPolarHBondContact CA-O 3Å; V461-R474 PolarHBondContact N-O 3.48Å; V461-R474 PolarHBondContact O-N 3.47Å
475	C	80.5	Confident	72	Confident	41 Å²	41	73.3 Å²	73.3	28%	0.277	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	150.8	-172.8	-53.6	0	0	0	0	113.5	R479 C484	C475-R479 HydrophobicContact CB-CB 4.2Å; C475-R479 WeakPolarHBondContact CB-O 3.41Å; C475-C484 WeakPolarHBondContact CA-SG 3.41Å; C475-C484 HydrophobicContact CB-CB 3.8Å; C475-C484 WeakPolarHBondContact CB-SG 3.26Å; C475-C484 WeakPolarHBondContact SG-CA 3.33Å; C475-C484 WeakPolarHBondContact SG-CB 3.33Å; C475-C484 CovalentContact SG-SG 2.04Å; C475-C484 PolarHBondContact SG-SG 3.15Å
476	N	81.4	Confident	72.7	Confident	89 Å²	89	73.8 Å²	73.8	48%	0.476	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-71.9	163.1	171.7	-64.2	-16.5	0	0	0	110.4	S459 G478 R479	S459-N476 WeakPolarHBondContact O-CB 3.25Å; S459-N476 PolarHBondContact O-N 2.82Å; N476-G478 PolarHBondContact O-N 2.61Å; N476-R479 PolarHBondContact O-N 2.87Å; N476-R479 VanDerWaalsContact O-N 3.08Å
477	A	76.1	Confident	73.4	Confident	109 Å²	109	70.8 Å²	70.8	90%	0.901	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	136.2	176.8	0	0	0	0	0	111.3	R479	A477-R479 VanDerWaalsContact C-N 3.32Å
478	G	70.3	Confident	73.9	Confident	30 Å²	30	65.6 Å²	65.6	31%	0.309	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	6.7	-175.6	0	0	0	0	0	115.4	N476 E488	N476-G478 PolarHBondContact O-N 2.61Å; G478-E488 PolarHBondContact O-N 3.43Å
479	R	78.9	Confident	74.5	Confident	78 Å²	78	67.1 Å²	67.1	29%	0.294	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.7	176.2	-71.5	-77.7	174.3	122.5	-7.1	112.1	S459 C475 N476 A477 C484 V486 D487	S459-R479 PolarHBondContact OG-NH1 2.72Å; C475-R479 HydrophobicContact CB-CB 4.2Å; C475-R479 WeakPolarHBondContact CB-O 3.41Å; N476-R479 PolarHBondContact O-N 2.87Å; N476-R479 VanDerWaalsContact O-N 3.08Å; A477-R479 VanDerWaalsContact C-N 3.32Å; R479-C484 HydrophobicContact CB-CB 4.44Å; R479-V486 CarbonylContact C-O 3.59Å; R479-V486 VanDerWaalsContact CA-O 3.31Å; R479-V486 WeakPolarHBondContact CA-O 3.38Å; R479-V486 WeakPolarHBondContact CD-O 3.28Å; R479-D487 IonicContact CZ-OD2 2.66Å; R479-D487 IonicContact NE-OD2 2.76Å; R479-D487 PolarHBondContact NE-OD2 3.44Å; R479-D487 IonicContact NH2-OD2 2.77Å; R479-D487 PolarHBondContact NH2-OD2 3.32Å
480	T	75.1	Confident	74.7	Confident	55 Å²	55	65.5 Å²	65.5	34%	0.337	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	176.5	178.5	51.4	0	0	0	0	111.7	C484 E485 V486 E488	T480-C484 CarbonylContact O-C 3.54Å; T480-C484 VanDerWaalsContact O-C 3.3Å; T480-C484 WeakPolarHBondContact O-CA 3.32Å; T480-E485 PolarHBondContact O-N 2.86Å; T480-V486 PolarHBondContact N-O 3.22Å; T480-V486 WeakPolarHBondContact O-CB 3.41Å; T480-V486 PolarHBondContact O-N 3.21Å; T480-E488 HydrophobicContact CG2-CG 4.32Å; T480-E488 WeakPolarHBondContact CG2-OE1 3.4Å; T480-E488 PolarHBondContact OG1-OE1 2.63Å
481	G	71.2	Confident	74.9	Confident	39 Å²	39	71.6 Å²	71.6	40%	0.402	39%	0.386	S	S	.	.	S	Bend	trans	105.3	170.8	-174.9	0	0	0	0	0	114.8	K483 C484 E485	G481-K483 VanDerWaalsContact C-N 3.32Å; G481-K483 PolarHBondContact O-N 2.81Å; G481-C484 PolarHBondContact O-N 3.34Å; G481-E485 VanDerWaalsContact C-OE2 3.29Å; G481-E485 VanDerWaalsContact CA-OE1 3.24Å; G481-E485 WeakPolarHBondContact CA-OE1 3.41Å; G481-E485 WeakPolarHBondContact CA-OE2 3.32Å
482	K	77.1	Confident	74.5	Confident	125 Å²	125	72.5 Å²	72.5	54%	0.543	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-29.2	-174.6	-173.9	179.6	174.1	-174.5	0	111.9	E446 E485	E446-K482 IonicContact OE1-NZ 3.15Å; E446-K482 PolarHBondContact OE1-NZ 3.18Å; E446-K482 IonicContact OE2-NZ 3.78Å; E446-K482 PolarHBondContact OE2-NZ 3.37Å; E446-K482 VanDerWaalsContact OE2-NZ 3.15Å; K482-E485 PolarHBondContact N-OE1 2.93Å; K482-E485 VanDerWaalsContact N-OE1 3.11Å; K482-E485 PolarHBondContact N-OE2 3.06Å; K482-E485 VanDerWaalsContact N-OE2 3.13Å
483	K	82	Confident	74	Confident	70 Å²	70	69.8 Å²	69.8	30%	0.304	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	24.5	176.6	-71.7	-169	162.7	-171.8	0	111.9	E449 T455 C456 S457 F471 G481 E485	E449-K483 IonicContact OE2-NZ 2.64Å; E449-K483 PolarHBondContact OE2-NZ 2.77Å; T455-K483 WeakPolarHBondContact O-CB 3.07Å; T455-K483 VanDerWaalsContact O-CD 3.26Å; T455-K483 WeakPolarHBondContact O-CD 3.13Å; T455-K483 VanDerWaalsContact O-CG 3.22Å; T455-K483 WeakPolarHBondContact O-CG 3.24Å; C456-K483 CarbonylContact C-O 3.51Å; C456-K483 WeakPolarHBondContact CA-O 3.46Å; S457-K483 VanDerWaalsContact CB-O 3.24Å; S457-K483 WeakPolarHBondContact CB-O 3.42Å; S457-K483 PolarHBondContact N-O 2.87Å; S457-K483 PolarHBondContact OG-O 3.32Å; F471-K483 HydrophobicContact CE2-CG 4.11Å; F471-K483 HydrophobicContact CZ-CD 4.3Å; F471-K483 VanDerWaalsContact CZ-CE 3.4Å; F471-K483 HydrophobicContact CZ-CG 3.95Å; G481-K483 VanDerWaalsContact C-N 3.32Å; G481-K483 PolarHBondContact O-N 2.81Å; K483-E485 VanDerWaalsContact CA-OE2 3.26Å; K483-E485 WeakPolarHBondContact CA-OE2 3.4Å; K483-E485 PolarHBondContact N-OE2 2.8Å; K483-E485 PolarHBondContact O-N 2.98Å
484	C	82.2	Confident	73.3	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	41%	0.409	C	S	.	.	S	Bend	trans	57	32.9	-178.2	-49.5	0	0	0	0	114.9	S459 C473 C475 R479 T480 G481	S459-C484 WeakPolarHBondContact CB-O 3.2Å; C473-C484 VanDerWaalsContact CB-SG 3.52Å; C475-C484 WeakPolarHBondContact CA-SG 3.41Å; C475-C484 HydrophobicContact CB-CB 3.8Å; C475-C484 WeakPolarHBondContact CB-SG 3.26Å; C475-C484 WeakPolarHBondContact SG-CA 3.33Å; C475-C484 WeakPolarHBondContact SG-CB 3.33Å; C475-C484 CovalentContact SG-SG 2.04Å; C475-C484 PolarHBondContact SG-SG 3.15Å; R479-C484 HydrophobicContact CB-CB 4.44Å; T480-C484 CarbonylContact O-C 3.54Å; T480-C484 VanDerWaalsContact O-C 3.3Å; T480-C484 WeakPolarHBondContact O-CA 3.32Å; G481-C484 PolarHBondContact O-N 3.34Å
485	E	83.3	Confident	72.7	Confident	103 Å²	103	69.5 Å²	69.5	48%	0.481	40%	0.403	S	S	.	.			trans	-81.1	-16.9	-174.3	69.4	-77.8	-177.8	0	0	114.8	T480 G481 K482 K483	T480-E485 PolarHBondContact O-N 2.86Å; G481-E485 VanDerWaalsContact C-OE2 3.29Å; G481-E485 VanDerWaalsContact CA-OE1 3.24Å; G481-E485 WeakPolarHBondContact CA-OE1 3.41Å; G481-E485 WeakPolarHBondContact CA-OE2 3.32Å; K482-E485 PolarHBondContact N-OE1 2.93Å; K482-E485 VanDerWaalsContact N-OE1 3.11Å; K482-E485 PolarHBondContact N-OE2 3.06Å; K482-E485 VanDerWaalsContact N-OE2 3.13Å; K483-E485 VanDerWaalsContact CA-OE2 3.26Å; K483-E485 WeakPolarHBondContact CA-OE2 3.4Å; K483-E485 PolarHBondContact N-OE2 2.8Å; K483-E485 PolarHBondContact O-N 2.98Å
486	V	79.8	Confident	72	Confident	55 Å²	55	74.8 Å²	74.8	33%	0.333	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	118.7	-178.7	-174.6	0	0	0	0	109.7	R479 T480 F493	R479-V486 CarbonylContact C-O 3.59Å; R479-V486 VanDerWaalsContact CA-O 3.31Å; R479-V486 WeakPolarHBondContact CA-O 3.38Å; R479-V486 WeakPolarHBondContact CD-O 3.28Å; T480-V486 PolarHBondContact N-O 3.22Å; T480-V486 WeakPolarHBondContact O-CB 3.41Å; T480-V486 PolarHBondContact O-N 3.21Å; V486-F493 HydrophobicContact CG1-CD2 4.18Å; V486-F493 HydrophobicContact CG1-CE2 4.33Å
487	D	73.4	Confident	71.2	Confident	49 Å²	49	75.1 Å²	75.1	26%	0.262	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	117.9	172	-163.1	-52.3	0	0	0	110.8	R479 T489 G490 F493	R479-D487 IonicContact CZ-OD2 2.66Å; R479-D487 IonicContact NE-OD2 2.76Å; R479-D487 PolarHBondContact NE-OD2 3.44Å; R479-D487 IonicContact NH2-OD2 2.77Å; R479-D487 PolarHBondContact NH2-OD2 3.32Å; D487-T489 WeakPolarHBondContact OD1-CA 3.24Å; D487-T489 WeakPolarHBondContact OD1-CB 3.01Å; D487-T489 PolarHBondContact OD1-N 2.95Å; D487-T489 PolarHBondContact OD1-OG1 2.66Å; D487-G490 PolarHBondContact OD1-N 3.06Å; D487-G490 VanDerWaalsContact OD1-N 3.11Å; D487-F493 WeakPolarHBondContact O-CB 3.2Å
488	E	65.5	Low	70.6	Confident	73 Å²	73	72.5 Å²	72.5	34%	0.341	39%	0.387	S	S	.	.	S	Bend	trans	-83.7	-13.2	179.7	-58.4	-143.8	169.2	0	0	113.6	G478 T480 F493	G478-E488 PolarHBondContact O-N 3.43Å; T480-E488 HydrophobicContact CG2-CG 4.32Å; T480-E488 WeakPolarHBondContact CG2-OE1 3.4Å; T480-E488 PolarHBondContact OG1-OE1 2.63Å; E488-F493 VanDerWaalsContact CA-CD1 3.43Å; E488-F493 HydrophobicContact CB-CD1 3.78Å; E488-F493 HydrophobicContact CB-CE1 3.48Å; E488-F493 VanDerWaalsContact CB-CE1 3.48Å; E488-F493 HydrophobicContact CB-CG 4.47Å; E488-F493 HydrophobicContact CB-CZ 4.04Å; E488-F493 VanDerWaalsContact CD-CE1 3.47Å; E488-F493 HydrophobicContact CG-CD1 4.2Å; E488-F493 HydrophobicContact CG-CE1 3.6Å; E488-F493 HydrophobicContact CG-CE2 4.15Å; E488-F493 HydrophobicContact CG-CZ 3.59Å; E488-F493 VanDerWaalsContact O-CD1 3.26Å; E488-F493 WeakPolarHBondContact O-CD1 3.47Å; E488-F493 WeakPolarHBondContact OE1-CZ 3.48Å; E488-F493 WeakPolarHBondContact OE2-CE1 3.02Å; E488-F493 WeakPolarHBondContact OE2-CZ 3.05Å
489	T	66	Low	70.5	Confident	110 Å²	110	76.4 Å²	76.4	68%	0.675	41%	0.405	S	S	*	.	S	Bend	trans	-86.2	-18.6	174.1	75.3	0	0	0	0	112.2	D487	D487-T489 WeakPolarHBondContact OD1-CA 3.24Å; D487-T489 WeakPolarHBondContact OD1-CB 3.01Å; D487-T489 PolarHBondContact OD1-N 2.95Å; D487-T489 PolarHBondContact OD1-OG1 2.66Å
490	G	63.1	Low	70	Confident	27 Å²	27	76 Å²	76	28%	0.278	42%	0.418	S	S	.	.	S	Bend	trans	-70	136.1	-179.5	0	0	0	0	0	114.1	D487 G492 F493 T494	D487-G490 PolarHBondContact OD1-N 3.06Å; D487-G490 VanDerWaalsContact OD1-N 3.11Å; G490-G492 PolarHBondContact O-N 2.91Å; G490-F493 WeakPolarHBondContact O-CB 3.34Å; G490-F493 PolarHBondContact O-N 3.43Å; G490-T494 PolarHBondContact O-N 3.07Å
491	F	65.4	Low	69.4	Low	161 Å²	161	76.1 Å²	76.1	71%	0.706	43%	0.43	S	S	*	.	H	α-helix	trans	-50.9	-31.6	179	-172.9	-113.9	0	0	0	114.3	F493 T494 I495	F491-F493 VanDerWaalsContact C-N 3.32Å; F491-F493 PolarHBondContact O-N 3.42Å; F491-T494 VanDerWaalsContact O-CB 3.32Å; F491-T494 WeakPolarHBondContact O-CB 3.33Å; F491-T494 PolarHBondContact O-N 2.77Å; F491-I495 HydrophobicContact CD1-CD1 3.82Å; F491-I495 HydrophobicContact CD1-CG1 4.45Å; F491-I495 HydrophobicContact CE1-CD1 3.68Å; F491-I495 HydrophobicContact CE1-CG1 4.29Å; F491-I495 HydrophobicContact CZ-CD1 4.41Å; F491-I495 WeakPolarHBondContact O-CG1 3.45Å; F491-I495 PolarHBondContact O-N 2.86Å
492	G	63.9	Low	69.4	Low	46 Å²	46	82.2 Å²	82.2	47%	0.474	45%	0.446	S	S	.	.	H	α-helix	trans	-65.3	-29.8	174.7	0	0	0	0	0	114.3	G490 K496	G490-G492 PolarHBondContact O-N 2.91Å; G492-K496 WeakPolarHBondContact O-CG 3Å; G492-K496 PolarHBondContact O-N 2.94Å
493	F	63.7	Low	68.9	Low	39 Å²	39	77 Å²	77	17%	0.171	43%	0.428	C	S	.	.	H	α-helix	trans	-74.6	-36.8	172.2	-174.3	-110.1	0	0	0	111.3	V486 D487 E488 G490 F491 K496 K497	V486-F493 HydrophobicContact CG1-CD2 4.18Å; V486-F493 HydrophobicContact CG1-CE2 4.33Å; D487-F493 WeakPolarHBondContact O-CB 3.2Å; E488-F493 VanDerWaalsContact CA-CD1 3.43Å; E488-F493 HydrophobicContact CB-CD1 3.78Å; E488-F493 HydrophobicContact CB-CE1 3.48Å; E488-F493 VanDerWaalsContact CB-CE1 3.48Å; E488-F493 HydrophobicContact CB-CG 4.47Å; E488-F493 HydrophobicContact CB-CZ 4.04Å; E488-F493 VanDerWaalsContact CD-CE1 3.47Å; E488-F493 HydrophobicContact CG-CD1 4.2Å; E488-F493 HydrophobicContact CG-CE1 3.6Å; E488-F493 HydrophobicContact CG-CE2 4.15Å; E488-F493 HydrophobicContact CG-CZ 3.59Å; E488-F493 VanDerWaalsContact O-CD1 3.26Å; E488-F493 WeakPolarHBondContact O-CD1 3.47Å; E488-F493 WeakPolarHBondContact OE1-CZ 3.48Å; E488-F493 WeakPolarHBondContact OE2-CE1 3.02Å; E488-F493 WeakPolarHBondContact OE2-CZ 3.05Å; G490-F493 WeakPolarHBondContact O-CB 3.34Å; G490-F493 PolarHBondContact O-N 3.43Å; F491-F493 VanDerWaalsContact C-N 3.32Å; F491-F493 PolarHBondContact O-N 3.42Å; F493-K496 PolarHBondContact O-N 3.47Å; F493-K497 HydrophobicContact CD1-CD 4.23Å; F493-K497 HydrophobicContact CE1-CD 3.91Å; F493-K497 HydrophobicContact CE1-CG 4.46Å; F493-K497 VanDerWaalsContact CE1-NZ 3.31Å; F493-K497 HydrophobicContact CZ-CD 4.44Å; F493-K497 PolarHBondContact O-N 2.03Å
494	T	60.6	Low	68.5	Low	76 Å²	76	76.3 Å²	76.3	47%	0.466	43%	0.43	S	S	.	.	H	α-helix	trans	-58.2	-46.9	170.3	-35.9	0	0	0	0	111.1	G490 F491 K497 F498	G490-T494 PolarHBondContact O-N 3.07Å; F491-T494 VanDerWaalsContact O-CB 3.32Å; F491-T494 WeakPolarHBondContact O-CB 3.33Å; F491-T494 PolarHBondContact O-N 2.77Å; T494-K497 PolarHBondContact O-N 2.88Å; T494-F498 WeakPolarHBondContact O-CB 3.45Å; T494-F498 PolarHBondContact O-N 2.86Å
495	I	66.8	Low	68.2	Low	85 Å²	85	81.2 Å²	81.2	44%	0.436	46%	0.462	S	S	.	.	H	α-helix	trans	-60	-46.9	174.4	-66.5	168.2	0	0	0	110.7	F491 K497 F498 T499	F491-I495 HydrophobicContact CD1-CD1 3.82Å; F491-I495 HydrophobicContact CD1-CG1 4.45Å; F491-I495 HydrophobicContact CE1-CD1 3.68Å; F491-I495 HydrophobicContact CE1-CG1 4.29Å; F491-I495 HydrophobicContact CZ-CD1 4.41Å; F491-I495 WeakPolarHBondContact O-CG1 3.45Å; F491-I495 PolarHBondContact O-N 2.86Å; I495-K497 PolarHBondContact O-N 2.84Å; I495-F498 WeakPolarHBondContact O-CA 3.27Å; I495-F498 WeakPolarHBondContact O-CB 3.39Å; I495-F498 PolarHBondContact O-N 2.94Å; I495-T499 HydrophobicContact CG2-CG2 4.37Å; I495-T499 PolarHBondContact O-N 2.98Å; I495-T499 PolarHBondContact O-OG1 2.79Å
496	K	66.7	Low	68.2	Low	151 Å²	151	83.8 Å²	83.8	66%	0.657	47%	0.469	S	S	*	.	H	α-helix	trans	-58.7	-45.7	177.6	-79.7	-177.5	176	-177.3	0	112.5	G492 F493 F498 T499 A500	G492-K496 WeakPolarHBondContact O-CG 3Å; G492-K496 PolarHBondContact O-N 2.94Å; F493-K496 PolarHBondContact O-N 3.47Å; K496-F498 VanDerWaalsContact C-N 3.3Å; K496-F498 PolarHBondContact O-N 2.73Å; K496-T499 WeakPolarHBondContact CA-OG1 3.49Å; K496-T499 PolarHBondContact O-N 3.29Å; K496-T499 PolarHBondContact O-OG1 3.46Å; K496-A500 VanDerWaalsContact O-CB 3.28Å; K496-A500 WeakPolarHBondContact O-CB 3.45Å; K496-A500 PolarHBondContact O-N 3.01Å
497	K	65.3	Low	68.3	Low	96 Å²	96	84.2 Å²	84.2	42%	0.417	47%	0.469	S	S	.	.	H	α-helix	trans	-59.1	-40.4	172.8	-81.3	-177.2	172.3	172	0	111.5	F493 T494 I495 A500 G501 K502	F493-K497 HydrophobicContact CD1-CD 4.23Å; F493-K497 HydrophobicContact CE1-CD 3.91Å; F493-K497 HydrophobicContact CE1-CG 4.46Å; F493-K497 VanDerWaalsContact CE1-NZ 3.31Å; F493-K497 HydrophobicContact CZ-CD 4.44Å; F493-K497 PolarHBondContact O-N 2.03Å; T494-K497 PolarHBondContact O-N 2.88Å; I495-K497 PolarHBondContact O-N 2.84Å; K497-A500 CarbonylContact O-C 3.4Å; K497-A500 PolarHBondContact O-N 3.3Å; K497-G501 PolarHBondContact O-N 2.83Å; K497-K502 CarbonylContact O-C 3.31Å; K497-K502 WeakPolarHBondContact O-CA 3.25Å; K497-K502 PolarHBondContact O-N 3.41Å
498	F	62.6	Low	68.8	Low	55 Å²	55	86 Å²	86	24%	0.241	47%	0.472	C	S	.	.	H	α-helix	trans	-65.7	-45.3	178.5	-157.6	-102.5	0	0	0	113	T494 I495 K496 A500 G501 L507 Y508 I511	T494-F498 WeakPolarHBondContact O-CB 3.45Å; T494-F498 PolarHBondContact O-N 2.86Å; I495-F498 WeakPolarHBondContact O-CA 3.27Å; I495-F498 WeakPolarHBondContact O-CB 3.39Å; I495-F498 PolarHBondContact O-N 2.94Å; K496-F498 VanDerWaalsContact C-N 3.3Å; K496-F498 PolarHBondContact O-N 2.73Å; F498-A500 VanDerWaalsContact C-N 3.26Å; F498-A500 PolarHBondContact O-N 2.83Å; F498-G501 PolarHBondContact O-N 3.29Å; F498-L507 HydrophobicContact CD2-CD1 4.08Å; F498-L507 HydrophobicContact CE2-CB 3.5Å; F498-L507 HydrophobicContact CE2-CD1 3.82Å; F498-L507 HydrophobicContact CE2-CG 4.33Å; F498-L507 HydrophobicContact CZ-CB 3.94Å; F498-Y508 HydrophobicContact CD1-CE1 4.25Å; F498-Y508 HydrophobicContact CD2-CE1 4.17Å; F498-Y508 AromaticContact CD2-CZ 3.91Å; F498-Y508 HydrophobicContact CE1-CD1 4.08Å; F498-Y508 AromaticContact CE1-CE1 3.63Å; F498-Y508 HydrophobicContact CE1-CE1 3.63Å; F498-Y508 AromaticContact CE2-CD1 3.95Å; F498-Y508 HydrophobicContact CE2-CD1 3.95Å; F498-Y508 HydrophobicContact CE2-CD2 4.31Å; F498-Y508 AromaticContact CE2-CE1 3.51Å; F498-Y508 HydrophobicContact CE2-CE1 3.51Å; F498-Y508 AromaticContact CE2-CE2 3.93Å; F498-Y508 HydrophobicContact CE2-CE2 3.93Å; F498-Y508 HydrophobicContact CE2-CG 4.32Å; F498-Y508 AromaticContact CE2-CZ 3.49Å; F498-Y508 VanDerWaalsContact CE2-CZ 3.49Å; F498-Y508 HydrophobicContact CG-CE1 4.48Å; F498-Y508 AromaticContact CZ-CD1 3.42Å; F498-Y508 HydrophobicContact CZ-CD1 3.42Å; F498-Y508 VanDerWaalsContact CZ-CD1 3.42Å; F498-Y508 AromaticContact CZ-CE1 3.21Å; F498-Y508 HydrophobicContact CZ-CE1 3.21Å; F498-Y508 HydrophobicContact CZ-CE2 4.39Å; F498-Y508 HydrophobicContact CZ-CG 4.1Å; F498-Y508 AromaticContact CZ-CZ 3.74Å; F498-Y508 PolarHBondContact O-OH 3.15Å; F498-I511 HydrophobicContact CE1-CD1 3.64Å; F498-I511 HydrophobicContact CZ-CD1 3.63Å
499	T	68	Low	69.8	Low	112 Å²	112	86.8 Å²	86.8	69%	0.687	48%	0.482	S	S	*	.	H	α-helix	trans	-67.7	-24.5	174.9	51.7	0	0	0	0	113.3	I495 K496 G501	I495-T499 HydrophobicContact CG2-CG2 4.37Å; I495-T499 PolarHBondContact O-N 2.98Å; I495-T499 PolarHBondContact O-OG1 2.79Å; K496-T499 WeakPolarHBondContact CA-OG1 3.49Å; K496-T499 PolarHBondContact O-N 3.29Å; K496-T499 PolarHBondContact O-OG1 3.46Å; T499-G501 VanDerWaalsContact C-N 3.28Å; T499-G501 PolarHBondContact O-N 2.84Å
500	A	69.4	Low	70.7	Confident	69 Å²	69	83.4 Å²	83.4	57%	0.57	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	12.7	174.8	0	0	0	0	0	113.6	K496 K497 F498 K502	K496-A500 VanDerWaalsContact O-CB 3.28Å; K496-A500 WeakPolarHBondContact O-CB 3.45Å; K496-A500 PolarHBondContact O-N 3.01Å; K497-A500 CarbonylContact O-C 3.4Å; K497-A500 PolarHBondContact O-N 3.3Å; F498-A500 VanDerWaalsContact C-N 3.26Å; F498-A500 PolarHBondContact O-N 2.83Å; A500-K502 VanDerWaalsContact C-N 3.26Å; A500-K502 PolarHBondContact O-N 2.03Å
501	G	62.6	Low	71.9	Confident	57 Å²	57	85.7 Å²	85.7	59%	0.588	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	11.5	177.9	0	0	0	0	0	115.3	K497 F498 T499 Y508	K497-G501 PolarHBondContact O-N 2.83Å; F498-G501 PolarHBondContact O-N 3.29Å; T499-G501 VanDerWaalsContact C-N 3.28Å; T499-G501 PolarHBondContact O-N 2.84Å; G501-Y508 WeakPolarHBondContact CA-OH 3.42Å
502	K	70.3	Confident	73	Confident	167 Å²	167	79.6 Å²	79.6	73%	0.726	45%	0.453	S	S	*	.			trans	-106.2	28.6	-177.8	-61.1	-171.7	179.6	-174	0	112.8	K497 A500	K497-K502 CarbonylContact O-C 3.31Å; K497-K502 WeakPolarHBondContact O-CA 3.25Å; K497-K502 PolarHBondContact O-N 3.41Å; A500-K502 VanDerWaalsContact C-N 3.26Å; A500-K502 PolarHBondContact O-N 2.03Å
503	G	66.5	Low	74.3	Confident	17 Å²	17	81.8 Å²	81.8	18%	0.175	45%	0.453	C	S	.	.	S	Bend	trans	-78.7	157.1	169.1	0	0	0	0	0	112.4	Y508	G503-Y508 PolarHBondContact N-OH 3.02Å; G503-Y508 VanDerWaalsContact N-OH 3.17Å; G503-Y508 WeakPolarHBondContact O-CE2 3.31Å
504	P	73.6	Confident	75.6	Confident	54 Å²	54	84.7 Å²	84.7	35%	0.351	47%	0.469	S	S	.	.			trans	-67.2	143.3	171.2	29.6	-35.9	0	0	0	111	Y506 L507	P504-Y506 VanDerWaalsContact C-N 3.27Å; P504-Y506 HydrophobicContact CB-CD1 3.85Å; P504-Y506 HydrophobicContact CB-CE1 3.48Å; P504-Y506 VanDerWaalsContact CB-CE1 3.48Å; P504-Y506 HydrophobicContact CG-CD1 4.24Å; P504-Y506 HydrophobicContact CG-CE1 3.59Å; P504-Y506 HydrophobicContact CG-CE2 4.45Å; P504-Y506 PolarHBondContact O-N 3.27Å; P504-Y506 VanDerWaalsContact O-N 3.13Å; P504-L507 HydrophobicContact CG-CD1 3.98Å; P504-L507 HydrophobicContact CG-CG 4.26Å; P504-L507 PolarHBondContact O-N 2.8Å; P504-L507 VanDerWaalsContact O-N 3.15Å
505	P	76	Confident	77.1	Confident	103 Å²	103	85 Å²	85	67%	0.669	47%	0.467	S	S	*	.	H	α-helix	trans	-60.8	-31.3	-167.6	20.7	-32.7	0	0	0	114.2	L507 Y508 V509	P505-L507 PolarHBondContact O-N 3.1Å; P505-Y508 PolarHBondContact O-N 2.87Å; P505-V509 PolarHBondContact O-N 2.94Å; P505-V509 VanDerWaalsContact O-N 3.11Å
506	Y	83.2	Confident	78.1	Confident	158 Å²	158	84.7 Å²	84.7	62%	0.62	47%	0.47	S	S	*	.	H	α-helix	trans	-62.2	-27.5	-179.4	68.7	-101.3	0	0	0	113.5	P504 A510	P504-Y506 VanDerWaalsContact C-N 3.27Å; P504-Y506 HydrophobicContact CB-CD1 3.85Å; P504-Y506 HydrophobicContact CB-CE1 3.48Å; P504-Y506 VanDerWaalsContact CB-CE1 3.48Å; P504-Y506 HydrophobicContact CG-CD1 4.24Å; P504-Y506 HydrophobicContact CG-CE1 3.59Å; P504-Y506 HydrophobicContact CG-CE2 4.45Å; P504-Y506 PolarHBondContact O-N 3.27Å; P504-Y506 VanDerWaalsContact O-N 3.13Å; Y506-A510 VanDerWaalsContact O-CB 3.29Å; Y506-A510 WeakPolarHBondContact O-CB 3.02Å; Y506-A510 PolarHBondContact O-N 3.29Å
507	L	82.1	Confident	79.2	Confident	64 Å²	64	82.3 Å²	82.3	34%	0.335	46%	0.463	S	S	.	.	H	α-helix	trans	-71.4	-40.2	176.3	-77.3	178.4	0	0	0	111.8	F498 P504 P505 V509 A510 I511	F498-L507 HydrophobicContact CD2-CD1 4.08Å; F498-L507 HydrophobicContact CE2-CB 3.5Å; F498-L507 HydrophobicContact CE2-CD1 3.82Å; F498-L507 HydrophobicContact CE2-CG 4.33Å; F498-L507 HydrophobicContact CZ-CB 3.94Å; P504-L507 HydrophobicContact CG-CD1 3.98Å; P504-L507 HydrophobicContact CG-CG 4.26Å; P504-L507 PolarHBondContact O-N 2.8Å; P504-L507 VanDerWaalsContact O-N 3.15Å; P505-L507 PolarHBondContact O-N 3.1Å; L507-V509 VanDerWaalsContact C-N 3.34Å; L507-A510 PolarHBondContact O-N 3.29Å; L507-I511 WeakPolarHBondContact O-CG1 3.23Å; L507-I511 PolarHBondContact O-N 3.17Å
508	Y	84.1	Confident	80.4	Confident	86 Å²	86	82.4 Å²	82.4	34%	0.337	47%	0.468	S	S	.	.	H	α-helix	trans	-66.1	-38.6	174.9	-59.9	-69.6	0	0	0	111	F498 G501 G503 P505 G512	F498-Y508 HydrophobicContact CD1-CE1 4.25Å; F498-Y508 HydrophobicContact CD2-CE1 4.17Å; F498-Y508 AromaticContact CD2-CZ 3.91Å; F498-Y508 HydrophobicContact CE1-CD1 4.08Å; F498-Y508 AromaticContact CE1-CE1 3.63Å; F498-Y508 HydrophobicContact CE1-CE1 3.63Å; F498-Y508 AromaticContact CE2-CD1 3.95Å; F498-Y508 HydrophobicContact CE2-CD1 3.95Å; F498-Y508 HydrophobicContact CE2-CD2 4.31Å; F498-Y508 AromaticContact CE2-CE1 3.51Å; F498-Y508 HydrophobicContact CE2-CE1 3.51Å; F498-Y508 AromaticContact CE2-CE2 3.93Å; F498-Y508 HydrophobicContact CE2-CE2 3.93Å; F498-Y508 HydrophobicContact CE2-CG 4.32Å; F498-Y508 AromaticContact CE2-CZ 3.49Å; F498-Y508 VanDerWaalsContact CE2-CZ 3.49Å; F498-Y508 HydrophobicContact CG-CE1 4.48Å; F498-Y508 AromaticContact CZ-CD1 3.42Å; F498-Y508 HydrophobicContact CZ-CD1 3.42Å; F498-Y508 VanDerWaalsContact CZ-CD1 3.42Å; F498-Y508 AromaticContact CZ-CE1 3.21Å; F498-Y508 HydrophobicContact CZ-CE1 3.21Å; F498-Y508 HydrophobicContact CZ-CE2 4.39Å; F498-Y508 HydrophobicContact CZ-CG 4.1Å; F498-Y508 AromaticContact CZ-CZ 3.74Å; F498-Y508 PolarHBondContact O-OH 3.15Å; G501-Y508 WeakPolarHBondContact CA-OH 3.42Å; G503-Y508 PolarHBondContact N-OH 3.02Å; G503-Y508 VanDerWaalsContact N-OH 3.17Å; G503-Y508 WeakPolarHBondContact O-CE2 3.31Å; P505-Y508 PolarHBondContact O-N 2.87Å; Y508-G512 PolarHBondContact O-N 3.24Å
509	V	85.8	Confident	81.6	Confident	89 Å²	89	86.9 Å²	86.9	54%	0.539	49%	0.488	S	S	.	.	H	α-helix	trans	-62.9	-46.2	172	175.7	0	0	0	0	111.5	P505 L507 I511 G512 I513	P505-V509 PolarHBondContact O-N 2.94Å; P505-V509 VanDerWaalsContact O-N 3.11Å; L507-V509 VanDerWaalsContact C-N 3.34Å; V509-I511 PolarHBondContact O-N 3Å; V509-G512 WeakPolarHBondContact O-CA 3.04Å; V509-G512 PolarHBondContact O-N 3.21Å; V509-G512 VanDerWaalsContact O-N 3.12Å; V509-I513 HydrophobicContact CG1-CD1 3.91Å; V509-I513 HydrophobicContact CG1-CG1 4.48Å; V509-I513 WeakPolarHBondContact O-CG1 3.35Å; V509-I513 PolarHBondContact O-N 3.15Å
510	A	85.9	Confident	82.4	Confident	39 Å²	39	87 Å²	87	32%	0.322	48%	0.483	S	S	.	.	H	α-helix	trans	-61.9	-41.5	178.5	0	0	0	0	0	112.4	Y506 L507 G512 I513 I514	Y506-A510 VanDerWaalsContact O-CB 3.29Å; Y506-A510 WeakPolarHBondContact O-CB 3.02Å; Y506-A510 PolarHBondContact O-N 3.29Å; L507-A510 PolarHBondContact O-N 3.29Å; A510-G512 VanDerWaalsContact C-N 3.34Å; A510-I513 PolarHBondContact O-N 3.5Å; A510-I514 VanDerWaalsContact O-CG1 3.29Å; A510-I514 WeakPolarHBondContact O-CG1 3.36Å; A510-I514 PolarHBondContact O-N 2.89Å
511	I	88.3	Confident	83	Confident	76 Å²	76	87.8 Å²	87.8	39%	0.39	48%	0.481	S	S	.	.	H	α-helix	trans	-62.9	-41.5	173.1	-69	169.8	0	0	0	110.7	F498 L507 V509 I513 I514 L515	F498-I511 HydrophobicContact CE1-CD1 3.64Å; F498-I511 HydrophobicContact CZ-CD1 3.63Å; L507-I511 WeakPolarHBondContact O-CG1 3.23Å; L507-I511 PolarHBondContact O-N 3.17Å; V509-I511 PolarHBondContact O-N 3Å; I511-I513 PolarHBondContact O-N 2.96Å; I511-I514 PolarHBondContact O-N 3.08Å; I511-L515 HydrophobicContact CG2-CD1 3.84Å; I511-L515 HydrophobicContact CG2-CG 4.3Å; I511-L515 WeakPolarHBondContact O-CB 2.99Å; I511-L515 VanDerWaalsContact O-CG 3.28Å; I511-L515 WeakPolarHBondContact O-CG 2.97Å; I511-L515 PolarHBondContact O-N 3.47Å
512	G	87.9	Confident	83.7	Confident	33 Å²	33	88.2 Å²	88.2	34%	0.34	47%	0.474	S	S	.	.	H	α-helix	trans	-59.8	-41.3	173.6	0	0	0	0	0	113.6	Y508 V509 A510 T516	Y508-G512 PolarHBondContact O-N 3.24Å; V509-G512 WeakPolarHBondContact O-CA 3.04Å; V509-G512 PolarHBondContact O-N 3.21Å; V509-G512 VanDerWaalsContact O-N 3.12Å; A510-G512 VanDerWaalsContact C-N 3.34Å; G512-T516 WeakPolarHBondContact O-CB 3.49Å; G512-T516 WeakPolarHBondContact O-CG2 3.42Å; G512-T516 PolarHBondContact O-N 3.26Å; G512-T516 PolarHBondContact O-OG1 3.25Å
513	I	90.9	Very high	83.8	Confident	91 Å²	91	81.8 Å²	81.8	47%	0.467	46%	0.456	S	S	.	.	H	α-helix	trans	-66.1	-45.7	175.2	-67.5	166.9	0	0	0	110.8	V509 A510 I511 L515 T516 L517	V509-I513 HydrophobicContact CG1-CD1 3.91Å; V509-I513 HydrophobicContact CG1-CG1 4.48Å; V509-I513 WeakPolarHBondContact O-CG1 3.35Å; V509-I513 PolarHBondContact O-N 3.15Å; A510-I513 PolarHBondContact O-N 3.5Å; I511-I513 PolarHBondContact O-N 2.96Å; I513-L515 PolarHBondContact O-N 2.94Å; I513-T516 WeakPolarHBondContact CA-OG1 3.35Å; I513-T516 PolarHBondContact O-N 2.94Å; I513-T516 PolarHBondContact O-OG1 2.88Å; I513-L517 HydrophobicContact CG2-CD1 3.9Å; I513-L517 HydrophobicContact CG2-CG 4.39Å; I513-L517 WeakPolarHBondContact O-CB 3.49Å; I513-L517 VanDerWaalsContact O-CG 3.28Å; I513-L517 WeakPolarHBondContact O-CG 3.31Å; I513-L517 PolarHBondContact O-N 2.83Å
514	I	91.5	Very high	83.9	Confident	101 Å²	101	84.9 Å²	84.9	52%	0.518	47%	0.471	S	S	.	.	H	α-helix	trans	-61.9	-44	177.7	-68.9	163.7	0	0	0	110.9	A510 I511 L517 L518	A510-I514 VanDerWaalsContact O-CG1 3.29Å; A510-I514 WeakPolarHBondContact O-CG1 3.36Å; A510-I514 PolarHBondContact O-N 2.89Å; I511-I514 PolarHBondContact O-N 3.08Å; I514-L517 PolarHBondContact O-N 3.4Å; I514-L518 HydrophobicContact CG2-CD1 3.99Å; I514-L518 WeakPolarHBondContact O-CB 3.39Å; I514-L518 VanDerWaalsContact O-CG 3.29Å; I514-L518 WeakPolarHBondContact O-CG 3.4Å; I514-L518 PolarHBondContact O-N 2.87Å
515	L	91.9	Very high	83.4	Confident	82 Å²	82	84.1 Å²	84.1	43%	0.429	47%	0.474	S	S	.	.	H	α-helix	trans	-64.9	-44.5	177.5	-72.1	172.4	0	0	0	112	I511 I513 L518 F519	I511-L515 HydrophobicContact CG2-CD1 3.84Å; I511-L515 HydrophobicContact CG2-CG 4.3Å; I511-L515 WeakPolarHBondContact O-CB 2.99Å; I511-L515 VanDerWaalsContact O-CG 3.28Å; I511-L515 WeakPolarHBondContact O-CG 2.97Å; I511-L515 PolarHBondContact O-N 3.47Å; I513-L515 PolarHBondContact O-N 2.94Å; L515-L518 PolarHBondContact O-N 2.93Å; L515-F519 VanDerWaalsContact O-CD2 3.29Å; L515-F519 WeakPolarHBondContact O-CD2 3.49Å; L515-F519 PolarHBondContact O-N 3.23Å
516	T	88.2	Confident	82.8	Confident	79 Å²	79	83.1 Å²	83.1	49%	0.485	47%	0.466	S	S	.	.	H	α-helix	trans	-65.5	-38.6	177.5	47.1	0	0	0	0	112.3	G512 I513 F519 L520	G512-T516 WeakPolarHBondContact O-CB 3.49Å; G512-T516 WeakPolarHBondContact O-CG2 3.42Å; G512-T516 PolarHBondContact O-N 3.26Å; G512-T516 PolarHBondContact O-OG1 3.25Å; I513-T516 WeakPolarHBondContact CA-OG1 3.35Å; I513-T516 PolarHBondContact O-N 2.94Å; I513-T516 PolarHBondContact O-OG1 2.88Å; T516-F519 PolarHBondContact O-N 3.02Å; T516-L520 WeakPolarHBondContact O-CB 3.44Å; T516-L520 VanDerWaalsContact O-CG 3.26Å; T516-L520 WeakPolarHBondContact O-CG 3.03Å; T516-L520 PolarHBondContact O-N 3.03Å
517	L	89.9	Confident	81.9	Confident	100 Å²	100	80.1 Å²	80.1	52%	0.524	46%	0.463	S	S	.	.	H	α-helix	trans	-63.4	-39.3	171.8	-71.2	172.8	0	0	0	112.6	I513 I514 L520 T521	I513-L517 HydrophobicContact CG2-CD1 3.9Å; I513-L517 HydrophobicContact CG2-CG 4.39Å; I513-L517 WeakPolarHBondContact O-CB 3.49Å; I513-L517 VanDerWaalsContact O-CG 3.28Å; I513-L517 WeakPolarHBondContact O-CG 3.31Å; I513-L517 PolarHBondContact O-N 2.83Å; I514-L517 PolarHBondContact O-N 3.4Å; L517-L520 PolarHBondContact O-N 3.46Å; L517-T521 WeakPolarHBondContact O-CB 3.32Å; L517-T521 WeakPolarHBondContact O-CG2 3.46Å; L517-T521 PolarHBondContact O-N 3.19Å; L517-T521 PolarHBondContact O-OG1 2.04Å
518	L	90.2	Very high	80.9	Confident	98 Å²	98	81.8 Å²	81.8	51%	0.513	47%	0.472	S	S	.	.	H	α-helix	trans	-65.4	-39.8	173.6	-73.9	169.1	0	0	0	112.1	I514 L515 T521 C522	I514-L518 HydrophobicContact CG2-CD1 3.99Å; I514-L518 WeakPolarHBondContact O-CB 3.39Å; I514-L518 VanDerWaalsContact O-CG 3.29Å; I514-L518 WeakPolarHBondContact O-CG 3.4Å; I514-L518 PolarHBondContact O-N 2.87Å; L515-L518 PolarHBondContact O-N 2.93Å; L518-T521 WeakPolarHBondContact CA-OG1 3.39Å; L518-T521 PolarHBondContact O-OG1 3.4Å; L518-T521 VanDerWaalsContact O-OG1 3.08Å; L518-C522 WeakPolarHBondContact O-CB 3.39Å; L518-C522 PolarHBondContact O-N 2.04Å; L518-C522 PolarHBondContact O-SG 3.43Å
519	F	86.7	Confident	79.8	Confident	149 Å²	149	83.4 Å²	83.4	65%	0.654	48%	0.482	S	S	*	.	H	α-helix	trans	-66	-41.2	173.6	-88.4	-72.5	0	0	0	112.6	L515 T516 C522 G523	L515-F519 VanDerWaalsContact O-CD2 3.29Å; L515-F519 WeakPolarHBondContact O-CD2 3.49Å; L515-F519 PolarHBondContact O-N 3.23Å; T516-F519 PolarHBondContact O-N 3.02Å; F519-C522 PolarHBondContact O-N 2.96Å; F519-G523 PolarHBondContact O-N 3.28Å
520	L	84.7	Confident	78.7	Confident	115 Å²	115	85.5 Å²	85.5	60%	0.602	49%	0.486	S	S	*	.	H	α-helix	trans	-66.5	-40.5	177.9	-73.4	167	0	0	0	112.6	T516 L517 G523 T524	T516-L520 WeakPolarHBondContact O-CB 3.44Å; T516-L520 VanDerWaalsContact O-CG 3.26Å; T516-L520 WeakPolarHBondContact O-CG 3.03Å; T516-L520 PolarHBondContact O-N 3.03Å; L517-L520 PolarHBondContact O-N 3.46Å; L520-G523 PolarHBondContact O-N 3.19Å; L520-T524 WeakPolarHBondContact O-CB 3.5Å; L520-T524 WeakPolarHBondContact O-CG2 3.05Å; L520-T524 PolarHBondContact O-N 2.8Å; L520-T524 PolarHBondContact O-OG1 2.85Å
521	T	82.4	Confident	77.5	Confident	86 Å²	86	92.9 Å²	92.9	53%	0.528	51%	0.505	S	S	.	.	H	α-helix	trans	-69.6	-38.1	175.4	47.8	0	0	0	0	112.3	L517 L518 T524 G525	L517-T521 WeakPolarHBondContact O-CB 3.32Å; L517-T521 WeakPolarHBondContact O-CG2 3.46Å; L517-T521 PolarHBondContact O-N 3.19Å; L517-T521 PolarHBondContact O-OG1 2.04Å; L518-T521 WeakPolarHBondContact CA-OG1 3.39Å; L518-T521 PolarHBondContact O-OG1 3.4Å; L518-T521 VanDerWaalsContact O-OG1 3.08Å; T521-T524 WeakPolarHBondContact CA-OG1 3.22Å; T521-T524 PolarHBondContact O-OG1 2.95Å; T521-T524 VanDerWaalsContact O-OG1 3.12Å; T521-G525 PolarHBondContact O-N 3.01Å
522	C	78.5	Confident	76.3	Confident	65 Å²	65	98.6 Å²	98.6	44%	0.439	52%	0.522	S	S	.	.	H	α-helix	trans	-66.6	-41.5	171.7	-68.2	0	0	0	0	112.5	L518 F519 G525 T526	L518-C522 WeakPolarHBondContact O-CB 3.39Å; L518-C522 PolarHBondContact O-N 2.04Å; L518-C522 PolarHBondContact O-SG 3.43Å; F519-C522 PolarHBondContact O-N 2.96Å; C522-G525 PolarHBondContact O-N 2.04Å; C522-T526 PolarHBondContact O-N 3.41Å
523	G	72.4	Confident	74.8	Confident	32 Å²	32	105.9 Å²	105.9	33%	0.33	54%	0.539	S	S	.	.	H	α-helix	trans	-64.7	-46	178.5	0	0	0	0	0	112.9	F519 L520 G525 T526 V527	F519-G523 PolarHBondContact O-N 3.28Å; L520-G523 PolarHBondContact O-N 3.19Å; G523-G525 VanDerWaalsContact C-N 3.32Å; G523-G525 PolarHBondContact O-N 2.96Å; G523-T526 PolarHBondContact O-N 2.78Å; G523-T526 PolarHBondContact O-OG1 2.82Å; G523-V527 WeakPolarHBondContact O-CG2 3.01Å; G523-V527 PolarHBondContact O-N 2.02Å; G523-V527 VanDerWaalsContact O-N 3.08Å
524	T	67.1	Low	73.2	Confident	82 Å²	82	109.8 Å²	109.8	50%	0.503	55%	0.553	S	S	.	*	H	α-helix	trans	-63.5	-38.2	173.8	47.4	0	0	0	0	111.9	L520 T521 V527 I528	L520-T524 WeakPolarHBondContact O-CB 3.5Å; L520-T524 WeakPolarHBondContact O-CG2 3.05Å; L520-T524 PolarHBondContact O-N 2.8Å; L520-T524 PolarHBondContact O-OG1 2.85Å; T521-T524 WeakPolarHBondContact CA-OG1 3.22Å; T521-T524 PolarHBondContact O-OG1 2.95Å; T521-T524 VanDerWaalsContact O-OG1 3.12Å; T524-V527 PolarHBondContact O-N 3.24Å; T524-I528 WeakPolarHBondContact O-CB 3.31Å; T524-I528 WeakPolarHBondContact O-CD1 3.46Å; T524-I528 VanDerWaalsContact O-CG1 3.25Å; T524-I528 WeakPolarHBondContact O-CG1 3.49Å; T524-I528 PolarHBondContact O-N 3.14Å
525	G	64.7	Low	71.5	Confident	39 Å²	39	113 Å²	113	40%	0.402	57%	0.565	S	S	.	*	H	α-helix	trans	-57.4	-47	173.2	0	0	0	0	0	113.8	T521 C522 G523 H529	T521-G525 PolarHBondContact O-N 3.01Å; C522-G525 PolarHBondContact O-N 2.04Å; G523-G525 VanDerWaalsContact C-N 3.32Å; G523-G525 PolarHBondContact O-N 2.96Å; G525-H529 WeakPolarHBondContact O-CB 3.01Å; G525-H529 PolarHBondContact O-N 3.06Å
526	T	63.5	Low	69.8	Low	82 Å²	82	119.9 Å²	119.9	50%	0.503	59%	0.585	S	S	.	*	H	α-helix	trans	-68.2	-39.3	178	59.3	0	0	0	0	112.3	C522 G523 H529 H530	C522-T526 PolarHBondContact O-N 3.41Å; G523-T526 PolarHBondContact O-N 2.78Å; G523-T526 PolarHBondContact O-OG1 2.82Å; T526-H529 PolarHBondContact O-N 2.88Å; T526-H530 WeakPolarHBondContact O-CB 3.48Å; T526-H530 PolarHBondContact O-N 2.78Å
527	V	62.6	Low	68	Low	94 Å²	94	125.1 Å²	125.1	57%	0.57	60%	0.602	S	S	*	*	H	α-helix	trans	-63	-45.2	175.7	171.1	0	0	0	0	111.8	G523 T524 H529 H530 R531	G523-V527 WeakPolarHBondContact O-CG2 3.01Å; G523-V527 PolarHBondContact O-N 2.02Å; G523-V527 VanDerWaalsContact O-N 3.08Å; T524-V527 PolarHBondContact O-N 3.24Å; V527-H529 PolarHBondContact O-N 3.39Å; V527-H530 PolarHBondContact O-N 2.75Å; V527-R531 WeakPolarHBondContact O-CB 3.24Å; V527-R531 PolarHBondContact O-N 2.83Å
528	I	62.7	Low	65.9	Low	100 Å²	100	123.6 Å²	123.6	51%	0.513	61%	0.61	S	S	.	*	H	α-helix	trans	-62.8	-43.4	177.2	-69.9	165.2	0	0	0	110.6	T524 R531 R532	T524-I528 WeakPolarHBondContact O-CB 3.31Å; T524-I528 WeakPolarHBondContact O-CD1 3.46Å; T524-I528 VanDerWaalsContact O-CG1 3.25Å; T524-I528 WeakPolarHBondContact O-CG1 3.49Å; T524-I528 PolarHBondContact O-N 3.14Å; I528-R531 PolarHBondContact O-N 3.25Å; I528-R532 PolarHBondContact O-N 2.84Å
529	H	60.6	Low	64	Low	119 Å²	119	127.3 Å²	127.3	55%	0.551	62%	0.624	S	S	*	*	H	α-helix	trans	-64.4	-41.1	177.2	-167.8	-100.4	0	0	0	111.9	G525 T526 V527 R532 R533	G525-H529 WeakPolarHBondContact O-CB 3.01Å; G525-H529 PolarHBondContact O-N 3.06Å; T526-H529 PolarHBondContact O-N 2.88Å; V527-H529 PolarHBondContact O-N 3.39Å; H529-R532 PolarHBondContact O-N 2.79Å; H529-R533 PolarHBondContact O-N 3.23Å
530	H	62.3	Low	62.1	Low	133 Å²	133	131.9 Å²	131.9	62%	0.616	64%	0.637	S	S	*	*	H	α-helix	trans	-65.3	-42.6	176.7	-161.2	-93.7	0	0	0	112.2	T526 V527 R532 R533 K534	T526-H530 WeakPolarHBondContact O-CB 3.48Å; T526-H530 PolarHBondContact O-N 2.78Å; V527-H530 PolarHBondContact O-N 2.75Å; H530-R532 PolarHBondContact O-N 3.45Å; H530-R533 PolarHBondContact O-N 3.02Å; H530-K534 PolarHBondContact O-N 2.72Å
531	R	61.6	Low	60.1	Low	194 Å²	194	129.9 Å²	129.9	73%	0.732	64%	0.644	S	S	*	*	H	α-helix	trans	-65.6	-38.4	177.9	-152.8	172.4	-170	172.3	3.1	111.8	V527 I528	V527-R531 WeakPolarHBondContact O-CB 3.24Å; V527-R531 PolarHBondContact O-N 2.83Å; I528-R531 PolarHBondContact O-N 3.25Å
532	R	61.5	Low	58.3	Low	197 Å²	197	132.9 Å²	132.9	74%	0.743	66%	0.657	S	S	*	*	H	α-helix	trans	-66	-36	171.1	-79.6	-174.4	170	-177.7	-2	113.1	I528 H529 H530	I528-R532 PolarHBondContact O-N 2.84Å; H529-R532 PolarHBondContact O-N 2.79Å; H530-R532 PolarHBondContact O-N 3.45Å
533	R	57.5	Low	56.7	Low	185 Å²	185	136.7 Å²	136.7	70%	0.698	67%	0.673	S	S	*	*	H	α-helix	trans	-68.7	-36.5	177.9	-131.2	177	-168.8	-174.3	2.9	112.6	H529 H530 H535 R536	H529-R533 PolarHBondContact O-N 3.23Å; H530-R533 PolarHBondContact O-N 3.02Å; R533-H535 VanDerWaalsContact C-N 3.26Å; R533-H535 PolarHBondContact O-N 2.03Å; R533-R536 PolarHBondContact O-N 3.4Å
534	K	56.6	Low	55.2	Low	174 Å²	174	143.4 Å²	143.4	76%	0.757	70%	0.698	S	S	*	*	H	α-helix	trans	-66	-23.3	-177.7	-152.2	174.5	-174.6	-177.5	0	114	H530	H530-K534 PolarHBondContact O-N 2.72Å
535	H	56.5	Low	54	Low	168 Å²	168	144.9 Å²	144.9	78%	0.778	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-1.4	176.5	-86.3	-83.7	0	0	0	115.5	R533	R533-H535 VanDerWaalsContact C-N 3.26Å; R533-H535 PolarHBondContact O-N 2.03Å
536	R	56.2	Low	53	Low	226 Å²	226	147.7 Å²	147.7	85%	0.853	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.2	12.4	-175.1	-83.5	-169.3	173	-173	-2	115.7	R533	R533-R536 PolarHBondContact O-N 3.4Å
537	K	49.7	Very low	52	Low	190 Å²	190	154.5 Å²	154.5	83%	0.826	74%	0.743	S	S	*	*			trans	-136.6	80.1	174.1	-76.6	-157.8	166.8	-157.8	0	112.9
538	G	46.1	Very low	51.2	Low	67 Å²	67	155.8 Å²	155.8	69%	0.691	76%	0.756	S	S	*	*			trans	-80.4	161.2	142.9	0	0	0	0	0	110
539	H	51	Low	50.4	Low	177 Å²	177	155.3 Å²	155.3	82%	0.819	76%	0.762	S	S	*	*	S	Bend	trans	62.9	116.3	-178.7	-66	-69.3	0	0	0	118.9
540	R	46.2	Very low	49.7	Very low	245 Å²	245	152.2 Å²	152.2	93%	0.925	76%	0.756	S	S	*	*			trans	59.2	140.7	139.3	-66	178.7	170.9	159.9	-3.9	119.9
541	G	42.9	Very low	48.9	Very low	73 Å²	73	153.4 Å²	153.4	75%	0.753	76%	0.76	S	S	*	*			trans	118.2	113	169.4	0	0	0	0	0	112.2
542	N	43.7	Very low	48.4	Very low	148 Å²	148	148.5 Å²	148.5	79%	0.791	76%	0.755	S	S	*	*			trans	-77.8	-179.3	168.6	-69.3	-5	0	0	0	110.4
543	D	45.9	Very low	47.8	Very low	146 Å²	146	142.5 Å²	142.5	78%	0.781	74%	0.744	S	S	*	*			trans	62.7	100.9	156.9	-47.1	-39.5	0	0	0	117.8
544	M	41	Very low	47.3	Very low	173 Å²	173	143 Å²	143	85%	0.852	75%	0.746	S	S	*	*				-172.8	112.3	108.1	-166.6	74.1	74.7	0	0	110.5	S546	M544-S546 PolarHBondContact O-N 2.02Å
545	S	42.5	Very low	46.8	Very low	113 Å²	113	141 Å²	141	79%	0.79	74%	0.737	S	S	*	*			trans	-78.3	106	167.6	48.8	0	0	0	0	110.8
546	S	42.8	Very low	46.5	Very low	97 Å²	97	135.9 Å²	135.9	68%	0.678	72%	0.724	S	S	*	*			trans	-172.8	42	166.1	-89.7	0	0	0	0	116	M544	M544-S546 PolarHBondContact O-N 2.02Å
547	Y	41.5	Very low	46	Very low	225 Å²	225	127.6 Å²	127.6	88%	0.882	70%	0.7	S	S	*	*			trans	-137.3	56.7	177.7	-95	-77.8	0	0	0	114.8
548	S	46.5	Very low	45.9	Very low	121 Å²	121	122.4 Å²	122.4	85%	0.846	69%	0.685	S	S	*	*	S	Bend	trans	-125.6	-12.2	172.3	-157.5	0	0	0	0	114.7
549	S	46.8	Very low	45.8	Very low	91 Å²	91	124.5 Å²	124.5	64%	0.636	68%	0.679	S	S	*	*	S	Bend	trans	-90.3	-22.8	-175.4	49.3	0	0	0	0	115	F551 S552	S549-F551 VanDerWaalsContact C-N 3.31Å; S549-F551 PolarHBondContact O-N 3.48Å; S549-S552 PolarHBondContact O-N 3.45Å
550	A	45	Very low	45.6	Very low	53 Å²	53	119.3 Å²	119.3	44%	0.438	66%	0.663	S	S	.	*	H	α-helix	trans	-71	-15.3	-167	0	0	0	0	0	116
551	F	44.6	Very low	45.5	Very low	159 Å²	159	116.5 Å²	116.5	70%	0.697	65%	0.653	S	S	*	*	H	α-helix	trans	-91.6	-25.9	-178.8	-142.4	-97.3	0	0	0	113.2	S549	S549-F551 VanDerWaalsContact C-N 3.31Å; S549-F551 PolarHBondContact O-N 3.48Å
552	S	52.1	Low	45.6	Very low	90 Å²	90	121 Å²	121	63%	0.629	65%	0.652	S	S	*	*	H	α-helix	trans	-69.4	-48.4	177.2	173	0	0	0	0	111.9	S549 R554 F555 A556	S549-S552 PolarHBondContact O-N 3.45Å; S552-R554 VanDerWaalsContact C-N 3.32Å; S552-R554 PolarHBondContact O-N 3.21Å; S552-F555 PolarHBondContact O-N 2.96Å; S552-A556 PolarHBondContact O-N 3.21Å
553	S	48.1	Very low	45.6	Very low	71 Å²	71	118.6 Å²	118.6	50%	0.497	65%	0.647	S	S	.	*	H	α-helix	trans	-61.8	-35.4	-173	57.3	0	0	0	0	113.8	S557	S553-S557 WeakPolarHBondContact O-CB 3.18Å; S553-S557 PolarHBondContact O-N 2.95Å; S553-S557 VanDerWaalsContact O-N 3.08Å
554	R	46.9	Very low	45.1	Very low	196 Å²	196	116.8 Å²	116.8	74%	0.74	64%	0.641	S	S	*	*	H	α-helix	trans	-69.6	-38.8	178.7	-71.6	-168	174.6	-133.4	-2.8	112.6	S552 S557 T558	S552-R554 VanDerWaalsContact C-N 3.32Å; S552-R554 PolarHBondContact O-N 3.21Å; R554-S557 WeakPolarHBondContact CA-OG 3.23Å; R554-S557 PolarHBondContact O-N 2.79Å; R554-S557 PolarHBondContact O-OG 2.89Å; R554-T558 PolarHBondContact O-N 3.06Å; R554-T558 PolarHBondContact O-OG1 3.41Å
555	F	47.8	Very low	45	Very low	133 Å²	133	114 Å²	114	58%	0.583	63%	0.634	S	S	*	*	H	α-helix	trans	-67.1	-42	179.2	-146.3	-92.8	0	0	0	111.5	S552 S557 T558 L559	S552-F555 PolarHBondContact O-N 2.96Å; F555-S557 VanDerWaalsContact C-N 3.33Å; F555-S557 PolarHBondContact O-N 2.87Å; F555-T558 PolarHBondContact O-N 3.46Å; F555-L559 HydrophobicContact CD1-CD1 3.97Å; F555-L559 HydrophobicContact CE1-CD1 4.13Å; F555-L559 PolarHBondContact O-N 3.06Å
556	A	49.2	Very low	44.6	Very low	60 Å²	60	112.1 Å²	112.1	50%	0.496	63%	0.633	S	S	.	*	H	α-helix	trans	-59.2	-41.5	172	0	0	0	0	0	112.5	S552 T558 L559 S560	S552-A556 PolarHBondContact O-N 3.21Å; A556-T558 PolarHBondContact O-N 2.86Å; A556-L559 PolarHBondContact O-N 3.14Å; A556-S560 PolarHBondContact O-N 3.16Å; A556-S560 VanDerWaalsContact O-N 3.14Å; A556-S560 PolarHBondContact O-OG 2.79Å
557	S	45.3	Very low	44.2	Very low	51 Å²	51	111 Å²	111	36%	0.357	64%	0.636	S	S	.	*	H	α-helix	trans	-68.4	-14.9	-179.4	78.1	0	0	0	0	115.3	S553 R554 F555 R561	S553-S557 WeakPolarHBondContact O-CB 3.18Å; S553-S557 PolarHBondContact O-N 2.95Å; S553-S557 VanDerWaalsContact O-N 3.08Å; R554-S557 WeakPolarHBondContact CA-OG 3.23Å; R554-S557 PolarHBondContact O-N 2.79Å; R554-S557 PolarHBondContact O-OG 2.89Å; F555-S557 VanDerWaalsContact C-N 3.33Å; F555-S557 PolarHBondContact O-N 2.87Å; S557-R561 WeakPolarHBondContact O-CD 3.24Å; S557-R561 WeakPolarHBondContact O-CG 3.27Å; S557-R561 PolarHBondContact O-NE 3.17Å
558	T	47.3	Very low	43.9	Very low	81 Å²	81	106.5 Å²	106.5	50%	0.497	64%	0.638	S	S	.	*	H	α-helix	trans	-90.8	-40.8	175	-51.2	0	0	0	0	110.9	R554 F555 A556 R561	R554-T558 PolarHBondContact O-N 3.06Å; R554-T558 PolarHBondContact O-OG1 3.41Å; F555-T558 PolarHBondContact O-N 3.46Å; A556-T558 PolarHBondContact O-N 2.86Å; T558-R561 PolarHBondContact O-N 2.88Å
559	L	44.7	Very low	43.4	Very low	111 Å²	111	109.9 Å²	109.9	58%	0.581	64%	0.637	S	S	*	*	H	α-helix	trans	-66.7	-38.2	178.5	-74.4	167.2	0	0	0	112.4	F555 A556 R561 F562	F555-L559 HydrophobicContact CD1-CD1 3.97Å; F555-L559 HydrophobicContact CE1-CD1 4.13Å; F555-L559 PolarHBondContact O-N 3.06Å; A556-L559 PolarHBondContact O-N 3.14Å; L559-R561 PolarHBondContact O-N 3Å; L559-F562 PolarHBondContact O-N 3.11Å; L559-F562 VanDerWaalsContact O-N 3.14Å
560	S	46.1	Very low	42.8	Very low	69 Å²	69	110.5 Å²	110.5	48%	0.483	65%	0.647	S	S	.	*	H	α-helix	trans	-65	-21.5	176	63.1	0	0	0	0	114.1	A556 S563 T564	A556-S560 PolarHBondContact O-N 3.16Å; A556-S560 VanDerWaalsContact O-N 3.14Å; A556-S560 PolarHBondContact O-OG 2.79Å; S560-S563 PolarHBondContact O-OG 3.37Å; S560-T564 PolarHBondContact O-OG1 3.06Å
561	R	45.3	Very low	42.3	Very low	185 Å²	185	114.4 Å²	114.4	70%	0.698	67%	0.666	S	S	*	*	H	α-helix	trans	-79.2	-24.4	175.2	-66.4	176.8	-173.8	-144.1	-3.4	112.9	S557 T558 L559	S557-R561 WeakPolarHBondContact O-CD 3.24Å; S557-R561 WeakPolarHBondContact O-CG 3.27Å; S557-R561 PolarHBondContact O-NE 3.17Å; T558-R561 PolarHBondContact O-N 2.88Å; L559-R561 PolarHBondContact O-N 3Å
562	F	44.7	Very low	41.7	Very low	167 Å²	167	112.6 Å²	112.6	73%	0.732	67%	0.673	S	S	*	*	H	α-helix	trans	-84.4	-16.5	-179.7	-96.2	-85.1	0	0	0	114.1	L559	L559-F562 PolarHBondContact O-N 3.11Å; L559-F562 VanDerWaalsContact O-N 3.14Å
563	S	42.8	Very low	40.9	Very low	99 Å²	99	119.6 Å²	119.6	69%	0.692	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-1.1	176.7	66.5	0	0	0	0	114.7	S560	S560-S563 PolarHBondContact O-OG 3.37Å
564	T	37	Very low	40.2	Very low	107 Å²	107	124.5 Å²	124.5	66%	0.656	70%	0.703	S	S	*	*	S	Bend	trans	-126.7	20.7	-172.3	54.6	0	0	0	0	115.1	S560	S560-T564 PolarHBondContact O-OG1 3.06Å
565	T	38.8	Very low	39.8	Very low	116 Å²	116	121.2 Å²	121.2	71%	0.712	71%	0.71	S	S	*	*			trans	-136	115.8	171.9	54.3	0	0	0	0	111.2
566	G	34.1	Very low	39.2	Very low	73 Å²	73	120.1 Å²	120.1	75%	0.753	71%	0.714	S	S	*	*			cis	-165.1	142.3	-8.4	0	0	0	0	0	112
567	G	33.9	Very low	38.8	Very low	73 Å²	73	127.4 Å²	127.4	75%	0.753	74%	0.735	S	S	*	*			trans	-76.1	146.8	165.1	0	0	0	0	0	110.6	K569	G567-K569 PolarHBondContact O-N 2.94Å
568	S	36.1	Very low	38.5	Very low	131 Å²	131	131.1 Å²	131.1	92%	0.916	76%	0.755	S	S	*	*			trans	-63.3	95.4	-179.5	-55.6	0	0	0	0	111.8	A570	S568-A570 PolarHBondContact O-N 3.47Å
569	K	35	Very low	38.2	Very low	192 Å²	192	131.5 Å²	131.5	84%	0.835	77%	0.767	S	S	*	*			trans	-69.5	126.9	165.2	-77.2	-172.7	174.2	-177.6	0	109	G567 T571	G567-K569 PolarHBondContact O-N 2.94Å; K569-T571 PolarHBondContact O-N 2.8Å
570	A	33.1	Very low	37.9	Very low	103 Å²	103	132.9 Å²	132.9	85%	0.851	78%	0.775	S	S	*	*			trans	-58.4	134.6	168.3	0	0	0	0	0	110.1	S568	S568-A570 PolarHBondContact O-N 3.47Å
571	T	36.1	Very low	37.8	Very low	136 Å²	136	138.2 Å²	138.2	83%	0.834	79%	0.789	S	S	*	*			trans	-113.5	104.7	178.4	47.9	0	0	0	0	110.6	K569	K569-T571 PolarHBondContact O-N 2.8Å
572	S	31.9	Very low	37.6	Very low	120 Å²	120	134.2 Å²	134.2	84%	0.839	79%	0.79	S	S	*	*			trans	-88.7	110.2	169.4	42.2	0	0	0	0	110.8
573	R	35	Very low	37.4	Very low	237 Å²	237	134.2 Å²	134.2	89%	0.894	80%	0.797	S	S	*	*			trans	-135.6	107.4	156.3	-78.8	-174.6	171.4	174.7	-3.9	106.8
574	M	32.7	Very low	37.4	Very low	175 Å²	175	133 Å²	133	86%	0.862	79%	0.792	S	S	*	*				72.4	97.1	72	-169	-179.8	-160.5	0	0	111.3
575	S	37.9	Very low	37.6	Very low	126 Å²	126	133.5 Å²	133.5	88%	0.881	80%	0.796	S	S	*	*			trans	-139.7	130.9	157.7	-173.4	0	0	0	0	107.4
576	T	37	Very low	37.8	Very low	111 Å²	111	136.9 Å²	136.9	68%	0.681	80%	0.801	S	S	*	*			trans	-100.1	136.6	-170.2	45.7	0	0	0	0	111.8
577	K	39.9	Very low	38.1	Very low	212 Å²	212	144.7 Å²	144.7	92%	0.922	81%	0.807	S	S	*	*			trans	-146.5	156.3	150.2	-110.6	173.3	-175.2	-177.9	0	110.3
578	T	39.2	Very low	38.5	Very low	129 Å²	129	144.7 Å²	144.7	79%	0.791	81%	0.807	S	S	*	*			trans	-117.8	150.6	-153.5	45.6	0	0	0	0	113.7
579	A	40	Very low	38.9	Very low	90 Å²	90	143.6 Å²	143.6	74%	0.744	81%	0.806	S	S	*	*			trans	68.1	157.4	159.8	0	0	0	0	0	116.5
580	D	40.3	Very low	39.4	Very low	140 Å²	140	140.5 Å²	140.5	75%	0.749	81%	0.808	S	S	*	*			cis	-140.1	-171	-2.4	-141.4	-45	0	0	0	112.2
581	K	42.9	Very low	40.1	Very low	180 Å²	180	145 Å²	145	78%	0.783	81%	0.809	S	S	*	*			trans	-82.4	165.3	-165.5	-61.2	151.9	-178.8	163.8	0	115.6
582	S	42.1	Very low	40.6	Very low	102 Å²	102	153.8 Å²	153.8	71%	0.713	83%	0.827	S	S	*	*				105.6	137.2	129.9	80.2	0	0	0	0	119.4
583	L	40.6	Very low	41	Very low	167 Å²	167	155.5 Å²	155.5	87%	0.874	83%	0.826	S	S	*	*			trans	44.4	151.7	147.2	-82.2	71.2	0	0	0	121
584	A	41.5	Very low	41.3	Very low	72 Å²	72	151.2 Å²	151.2	60%	0.595	82%	0.823	S	S	*	*			cis	-175.7	153.7	-27.6	0	0	0	0	0	110.5
585	T	41.4	Very low	41.8	Very low	119 Å²	119	149.9 Å²	149.9	73%	0.73	82%	0.82	S	S	*	*			trans	63.4	147.9	155.2	48.9	0	0	0	0	121.6
586	K	42.5	Very low	42	Very low	187 Å²	187	151.3 Å²	151.3	81%	0.813	82%	0.817	S	S	*	*			trans	69.6	154.8	156.7	-71.5	163	-175.9	175.2	0	116.7
587	R	42	Very low	42.3	Very low	237 Å²	237	153.8 Å²	153.8	89%	0.894	83%	0.825	S	S	*	*			cis	-170.2	157.8	-33.1	-121.6	-175.5	-176.3	-178.3	0.1	106.9
588	G	41.2	Very low	42.5	Very low	72 Å²	72	149.9 Å²	149.9	74%	0.742	82%	0.819	S	S	*	*			trans	92.6	128.7	-179.6	0	0	0	0	0	111.4
589	A	45.4	Very low	42.7	Very low	109 Å²	109	151.4 Å²	151.4	90%	0.901	82%	0.821	S	S	*	*			cis	72.2	92.3	15.2	0	0	0	0	0	116.1
590	S	45.6	Very low	42.9	Very low	126 Å²	126	156.2 Å²	156.2	88%	0.881	83%	0.827	S	S	*	*			trans	-150.2	163.7	133.4	-163.9	0	0	0	0	110
591	K	47.6	Very low	43.2	Very low	198 Å²	198	157.5 Å²	157.5	86%	0.861	83%	0.833	S	S	*	*			trans	-86.7	157.6	-175.3	-59.5	169.9	178.5	175.6	0	111.8
592	R	45.1	Very low	43.2	Very low	321 Å²	321	155.5 Å²	155.5	100%	1.211	84%	0.838	S	S	*	*				-134	0	118.1	-145.5	174.7	-163.5	179.2	5.3	109.6

Retrieved 592 of 592 residues in 694.6 ms (Link to these results)

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