A0A3Q0KU58_SCHMA Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KU58, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 273 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	26.8	Very low	23.8	Very low	230 Å²	230	147 Å²	147	100%	1.133	82%	0.822	S	S	*	*				0	129.4	0	-81.5	172.7	155	0	0	107.6
2	N	26.4	Very low	23.7	Very low	167 Å²	167	150.7 Å²	150.7	89%	0.893	82%	0.823	S	S	*	*			trans	68	132.9	169.9	-47.5	-23.6	0	0	0	115.1
3	G	21.4	Very low	23.9	Very low	62 Å²	62	148.2 Å²	148.2	64%	0.639	82%	0.823	S	S	*	*			cis	160.5	158.6	5	0	0	0	0	0	108.9
4	I	24.9	Very low	23.8	Very low	160 Å²	160	146.1 Å²	146.1	82%	0.821	82%	0.817	S	S	*	*			trans	84	139.1	138.2	-61.2	164.5	0	0	0	116.3
5	L	19.5	Very low	23.7	Very low	128 Å²	128	147.5 Å²	147.5	67%	0.67	81%	0.814	S	S	*	*			cis	-158	150	3.6	-151.1	82.5	0	0	0	105.6	V7	L5-V7 HydrophobicContact CD2-CG2 4.17Å
6	F	23.1	Very low	23.7	Very low	216 Å²	216	149.2 Å²	149.2	95%	0.947	82%	0.82	S	S	*	*			trans	-130.7	127.3	154.5	-81.6	-80.4	0	0	0	109.9
7	V	22.2	Very low	23.5	Very low	123 Å²	123	148.6 Å²	148.6	75%	0.745	82%	0.822	S	S	*	*			trans	-78.7	124.7	175.4	174.2	0	0	0	0	108.5	L5	L5-V7 HydrophobicContact CD2-CG2 4.17Å
8	S	22.1	Very low	23.6	Very low	98 Å²	98	146.1 Å²	146.1	69%	0.685	82%	0.817	S	S	*	*			trans	-96.9	133.4	169	175.6	0	0	0	0	109.1
9	T	26.9	Very low	23.6	Very low	136 Å²	136	149.7 Å²	149.7	83%	0.834	82%	0.823	S	S	*	*			trans	-133	128.4	149.3	37.6	0	0	0	0	108.4
10	E	23.6	Very low	23.7	Very low	174 Å²	174	148 Å²	148	81%	0.813	82%	0.822	S	S	*	*			trans	-72.4	143.1	-168.1	-66.1	167.4	124.1	0	0	113.3
11	S	25.2	Very low	23.7	Very low	123 Å²	123	146 Å²	146	86%	0.86	82%	0.818	S	S	*	*			trans	-145.6	122.1	137.4	176.6	0	0	0	0	109.6
12	K	22.7	Very low	23.5	Very low	191 Å²	191	139.3 Å²	139.3	83%	0.83	80%	0.799	S	S	*	*			trans	-57.4	127.1	-171.5	-66.3	163.3	174.9	174	0	113.2
13	S	26.4	Very low	23.5	Very low	119 Å²	119	136.8 Å²	136.8	83%	0.832	79%	0.79	S	S	*	*			trans	-148.6	127.9	135.4	92.4	0	0	0	0	110.5
14	T	22.3	Very low	23.6	Very low	119 Å²	119	138.5 Å²	138.5	73%	0.73	79%	0.792	S	S	*	*			trans	-74.1	137.3	-164.6	-48.7	0	0	0	0	113.4
15	Q	22.4	Very low	23.7	Very low	166 Å²	166	135.7 Å²	135.7	78%	0.776	78%	0.784	S	S	*	*			trans	59.8	110.7	150.7	-70.8	179.1	20.8	0	0	120.4
16	L	22.7	Very low	24	Very low	175 Å²	175	139.1 Å²	139.1	92%	0.916	79%	0.794	S	S	*	*				-155.4	110.8	118.2	-107.1	142.8	0	0	0	109.8	S18	L16-S18 PolarHBondContact O-N 3.07Å
17	T	21.6	Very low	24.1	Very low	139 Å²	139	135.8 Å²	135.8	85%	0.853	79%	0.791	S	S	*	*			trans	-71.6	110.5	175.8	44.7	0	0	0	0	110.3
18	S	25	Very low	24.3	Very low	104 Å²	104	133.6 Å²	133.6	73%	0.727	78%	0.781	S	S	*	*			trans	-146	122.1	152.9	66.8	0	0	0	0	108.4	L16 S20	L16-S18 PolarHBondContact O-N 3.07Å; S18-S20 PolarHBondContact O-N 3.41Å
19	K	22.9	Very low	24.4	Very low	215 Å²	215	134 Å²	134	94%	0.935	79%	0.785	S	S	*	*			trans	-51.7	92.7	177.5	-69.9	171.6	174.7	175.7	0	110.6	S21	K19-S21 PolarHBondContact O-N 3.34Å
20	S	25.1	Very low	24.4	Very low	114 Å²	114	133.3 Å²	133.3	80%	0.797	77%	0.772	S	S	*	*			trans	-95.1	85.1	169.1	-178.7	0	0	0	0	107.7	S18 A22	S18-S20 PolarHBondContact O-N 3.41Å; S20-A22 PolarHBondContact O-N 3.06Å
21	S	23.8	Very low	24.5	Very low	107 Å²	107	132.3 Å²	132.3	75%	0.748	77%	0.769	S	S	*	*			trans	-75.8	101.8	172.1	-69.3	0	0	0	0	109.2	K19 V23	K19-S21 PolarHBondContact O-N 3.34Å; S21-V23 PolarHBondContact O-N 2.68Å
22	A	23.7	Very low	24.6	Very low	89 Å²	89	131.1 Å²	131.1	74%	0.736	75%	0.748	S	S	*	*			trans	32.1	80.9	144.8	0	0	0	0	0	118.2	S20 S24	S20-A22 PolarHBondContact O-N 3.06Å; A22-S24 PolarHBondContact O-N 3.08Å
23	V	25.3	Very low	24.8	Very low	115 Å²	115	131.6 Å²	131.6	70%	0.697	75%	0.746	S	S	*	*			trans	-79.4	92.3	152.1	-177.1	0	0	0	0	107.6	S21	S21-V23 PolarHBondContact O-N 2.68Å
24	S	24.3	Very low	24.9	Very low	97 Å²	97	129.7 Å²	129.7	68%	0.678	72%	0.724	S	S	*	*			trans	-96	116.8	170.3	-164	0	0	0	0	108.3	A22 K26	A22-S24 PolarHBondContact O-N 3.08Å; S24-K26 PolarHBondContact O-N 3.35Å
25	P	26.7	Very low	25.2	Very low	101 Å²	101	129.7 Å²	129.7	66%	0.656	72%	0.719	S	S	*	*			trans	-67.7	108.7	175.2	26.6	-28.4	0	0	0	107.8	T27	P25-T27 PolarHBondContact O-N 3.41Å; P25-T27 VanDerWaalsContact O-N 3.11Å
26	K	25.5	Very low	25.5	Very low	201 Å²	201	128.1 Å²	128.1	87%	0.874	71%	0.712	S	S	*	*			trans	-56.6	118.4	168.6	-76.7	-178.5	177.8	176.5	0	108.1	S24 S28	S24-K26 PolarHBondContact O-N 3.35Å; K26-S28 PolarHBondContact O-N 3.48Å
27	T	25.1	Very low	25.9	Very low	146 Å²	146	125 Å²	125	90%	0.896	71%	0.712	S	S	*	*			trans	-31.1	116.9	163.3	29.7	0	0	0	0	112.6	P25	P25-T27 PolarHBondContact O-N 3.41Å; P25-T27 VanDerWaalsContact O-N 3.11Å
28	S	26.9	Very low	26.4	Very low	76 Å²	76	125.3 Å²	125.3	53%	0.531	70%	0.701	S	S	.	*			trans	-165.3	99.7	164.7	159.4	0	0	0	0	107.9	K26 Q30	K26-S28 PolarHBondContact O-N 3.48Å; S28-Q30 PolarHBondContact O-N 2.91Å; S28-Q30 PolarHBondContact OG-NE2 3.12Å
29	S	25.2	Very low	26.7	Very low	108 Å²	108	127 Å²	127	76%	0.755	69%	0.692	S	S	*	*			trans	-48.5	117.3	165.6	48.5	0	0	0	0	111
30	Q	26.2	Very low	26.9	Very low	120 Å²	120	126.7 Å²	126.7	56%	0.561	69%	0.69	S	S	*	*			trans	-139.8	108.3	175	-75.4	-173	-6.2	0	0	110.6	S28 F32 E47	S28-Q30 PolarHBondContact O-N 2.91Å; S28-Q30 PolarHBondContact OG-NE2 3.12Å; Q30-F32 HydrophobicContact CB-CZ 4.41Å; Q30-F32 WeakPolarHBondContact O-CD2 3.44Å; Q30-F32 WeakPolarHBondContact O-CE2 3.49Å; Q30-F32 WeakPolarHBondContact O-CZ 3.48Å; Q30-F32 PolarHBondContact O-N 3.12Å; Q30-E47 VanDerWaalsContact C-CD 3.47Å; Q30-E47 PolarHBondContact N-OE1 3.45Å; Q30-E47 PolarHBondContact N-OE2 3.22Å
31	M	26	Very low	26.9	Very low	153 Å²	153	129.6 Å²	129.6	75%	0.754	69%	0.689	S	S	*	*			trans	-52.7	129.2	174.5	-66.6	178.5	172.6	0	0	112	Y33	M31-Y33 HydrophobicContact CB-CE2 4.2Å
32	F	27.2	Very low	27	Very low	98 Å²	98	130.1 Å²	130.1	43%	0.43	69%	0.692	S	S	.	*			trans	-106.6	131.1	176.5	-60	-76.6	0	0	0	111.4	Q30 E47 V125	Q30-F32 HydrophobicContact CB-CZ 4.41Å; Q30-F32 WeakPolarHBondContact O-CD2 3.44Å; Q30-F32 WeakPolarHBondContact O-CE2 3.49Å; Q30-F32 WeakPolarHBondContact O-CZ 3.48Å; Q30-F32 PolarHBondContact O-N 3.12Å; F32-E47 WeakPolarHBondContact CE2-OE1 3.32Å; F32-V125 HydrophobicContact CD1-CG1 3.92Å; F32-V125 HydrophobicContact CD2-CG1 3.98Å; F32-V125 HydrophobicContact CE1-CG1 3.73Å; F32-V125 HydrophobicContact CE2-CG1 3.79Å; F32-V125 HydrophobicContact CG-CG1 4.05Å; F32-V125 HydrophobicContact CZ-CG1 3.67Å
33	Y	26.5	Very low	27.1	Very low	202 Å²	202	129.6 Å²	129.6	79%	0.792	68%	0.682	S	S	*	*			trans	-112	139.1	177.1	-66.9	-89.8	0	0	0	110.4	M31	M31-Y33 HydrophobicContact CB-CE2 4.2Å
34	H	29.4	Very low	27.2	Very low	79 Å²	79	128.2 Å²	128.2	37%	0.366	67%	0.674	S	S	.	*			trans	-98	152	173.9	-81.2	-59.2	0	0	0	112.8	F38 S123	H34-F38 HydrophobicContact CB-CB 4.43Å; H34-S123 PolarHBondContact CE1-OG 3.03Å; H34-S123 PolarHBondContact NE2-OG 3.47Å
35	D	28.4	Very low	27.6	Very low	118 Å²	118	126.3 Å²	126.3	63%	0.631	66%	0.656	S	S	*	*			trans	-85.4	176	-176.9	-162.6	14	0	0	0	114.8	A37 F38 R39	D35-A37 PolarHBondContact O-N 2.91Å; D35-A37 VanDerWaalsContact O-N 3.13Å; D35-F38 PolarHBondContact O-N 3.47Å; D35-R39 IonicContact OD1-CZ 3.24Å; D35-R39 IonicContact OD1-NH2 2.59Å; D35-R39 PolarHBondContact OD1-NH2 3.22Å
36	E	28.4	Very low	27.7	Very low	134 Å²	134	123.5 Å²	123.5	63%	0.626	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-58.3	-28.9	-140.2	-143.1	146.5	-139	0	0	119.1	R39	E36-R39 VanDerWaalsContact CD-NH1 3.3Å; E36-R39 VanDerWaalsContact CD-NH2 3.29Å; E36-R39 VanDerWaalsContact O-CB 3.3Å; E36-R39 WeakPolarHBondContact O-CB 3.43Å; E36-R39 PolarHBondContact O-N 3.46Å; E36-R39 IonicContact OE1-CZ 3.37Å; E36-R39 IonicContact OE1-NH1 3.5Å; E36-R39 PolarHBondContact OE1-NH1 3.31Å; E36-R39 IonicContact OE1-NH2 3.3Å; E36-R39 PolarHBondContact OE1-NH2 2.96Å; E36-R39 IonicContact OE2-NH2 3.92Å
37	A	30.4	Very low	28	Very low	109 Å²	109	118.4 Å²	118.4	90%	0.901	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-81.7	-18.6	-179.2	0	0	0	0	0	113.9	D35	D35-A37 PolarHBondContact O-N 2.91Å; D35-A37 VanDerWaalsContact O-N 3.13Å
38	F	31.7	Very low	28.5	Very low	145 Å²	145	113.2 Å²	113.2	64%	0.636	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-84.9	-7.6	170.2	-107.3	-95.8	0	0	0	112.6	H34 D35 K40 K41	H34-F38 HydrophobicContact CB-CB 4.43Å; D35-F38 PolarHBondContact O-N 3.47Å; F38-K40 VanDerWaalsContact C-N 3.28Å; F38-K40 PolarHBondContact O-N 2.92Å; F38-K40 VanDerWaalsContact O-N 3.09Å; F38-K41 PolarHBondContact O-N 3.36Å
39	R	31.1	Very low	29.2	Very low	140 Å²	140	111.7 Å²	111.7	53%	0.528	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.4	-7.6	-168.5	-71.1	-173.3	-159.2	170.8	16.1	116.6	D35 E36	D35-R39 IonicContact OD1-CZ 3.24Å; D35-R39 IonicContact OD1-NH2 2.59Å; D35-R39 PolarHBondContact OD1-NH2 3.22Å; E36-R39 VanDerWaalsContact CD-NH1 3.3Å; E36-R39 VanDerWaalsContact CD-NH2 3.29Å; E36-R39 VanDerWaalsContact O-CB 3.3Å; E36-R39 WeakPolarHBondContact O-CB 3.43Å; E36-R39 PolarHBondContact O-N 3.46Å; E36-R39 IonicContact OE1-CZ 3.37Å; E36-R39 IonicContact OE1-NH1 3.5Å; E36-R39 PolarHBondContact OE1-NH1 3.31Å; E36-R39 IonicContact OE1-NH2 3.3Å; E36-R39 PolarHBondContact OE1-NH2 2.96Å; E36-R39 IonicContact OE2-NH2 3.92Å
40	K	27.3	Very low	30.2	Very low	208 Å²	208	107.2 Å²	107.2	90%	0.904	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-6.1	178.7	-74.1	-172.6	179.7	178.1	0	115.3	F38	F38-K40 VanDerWaalsContact C-N 3.28Å; F38-K40 PolarHBondContact O-N 2.92Å; F38-K40 VanDerWaalsContact O-N 3.09Å
41	K	26.2	Very low	31.5	Very low	175 Å²	175	105 Å²	105	76%	0.761	54%	0.538	S	S	*	.	S	Bend	trans	-132.2	107.5	170.9	-70.4	-175.8	179.9	178.4	0	108.4	F38 C43	F38-K41 PolarHBondContact O-N 3.36Å; K41-C43 PolarHBondContact O-N 3.18Å
42	S	25.2	Very low	32.9	Very low	118 Å²	118	98.4 Å²	98.4	83%	0.825	51%	0.507	S	S	*	.			trans	-68.3	94.6	177.4	44.2	0	0	0	0	110.7
43	C	26	Very low	34.2	Very low	78 Å²	78	99.8 Å²	99.8	53%	0.527	52%	0.519	S	S	.	.			trans	-90.8	101.3	159.4	-76.4	0	0	0	0	107.9	K41 I45	K41-C43 PolarHBondContact O-N 3.18Å; C43-I45 PolarHBondContact O-N 2.81Å
44	V	27.8	Very low	35.4	Very low	87 Å²	87	95.6 Å²	95.6	53%	0.527	51%	0.505	S	S	.	.			trans	-74.7	106.9	172.1	178.9	0	0	0	0	107.4	F46	V44-F46 HydrophobicContact CB-CE2 4.16Å; V44-F46 HydrophobicContact CG1-CD2 4.15Å; V44-F46 HydrophobicContact CG1-CE1 4.39Å; V44-F46 HydrophobicContact CG1-CE2 3.81Å; V44-F46 HydrophobicContact CG1-CZ 3.94Å; V44-F46 WeakPolarHBondContact O-CD2 3.42Å; V44-F46 PolarHBondContact O-N 2.84Å
45	I	31.6	Very low	36.5	Very low	56 Å²	56	92.7 Å²	92.7	29%	0.287	49%	0.492	S	S	.	.			trans	-74.2	116.2	170.6	-59.2	175.7	0	0	0	106.7	C43	C43-I45 PolarHBondContact O-N 2.81Å
46	F	29	Very low	37.6	Very low	42 Å²	42	90.8 Å²	90.8	18%	0.184	49%	0.485	C	S	.	.			trans	-85.7	117.6	173.7	-75.4	-88.5	0	0	0	108.3	V44 G48 Q50	V44-F46 HydrophobicContact CB-CE2 4.16Å; V44-F46 HydrophobicContact CG1-CD2 4.15Å; V44-F46 HydrophobicContact CG1-CE1 4.39Å; V44-F46 HydrophobicContact CG1-CE2 3.81Å; V44-F46 HydrophobicContact CG1-CZ 3.94Å; V44-F46 WeakPolarHBondContact O-CD2 3.42Å; V44-F46 PolarHBondContact O-N 2.84Å; F46-G48 PolarHBondContact O-N 2.93Å; F46-Q50 HydrophobicContact CB-CG 3.94Å; F46-Q50 HydrophobicContact CD2-CG 4.19Å; F46-Q50 HydrophobicContact CG-CG 4.04Å
47	E	32.4	Very low	38.4	Very low	94 Å²	94	87.7 Å²	87.7	44%	0.439	49%	0.489	S	S	.	.	S	Bend	trans	-63	105.4	168.7	-72.6	-169.1	117.5	0	0	109	Q30 F32	Q30-E47 VanDerWaalsContact C-CD 3.47Å; Q30-E47 PolarHBondContact N-OE1 3.45Å; Q30-E47 PolarHBondContact N-OE2 3.22Å; F32-E47 WeakPolarHBondContact CE2-OE1 3.32Å
48	G	36.5	Very low	39.1	Very low	37 Å²	37	88.4 Å²	88.4	38%	0.381	47%	0.471	S	S	.	.	S	Bend	trans	95.9	169.8	174.3	0	0	0	0	0	114.7	F46 Q50	F46-G48 PolarHBondContact O-N 2.93Å; G48-Q50 PolarHBondContact O-N 3.4Å; G48-Q50 VanDerWaalsContact O-N 3.1Å
49	P	41	Very low	39.7	Very low	45 Å²	45	91.4 Å²	91.4	29%	0.292	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-55.6	118.9	-176.1	24.2	-35.4	0	0	0	110.1	T51 V185	P49-T51 PolarHBondContact O-N 3.33Å; P49-V185 HydrophobicContact CB-CB 3.86Å; P49-V185 HydrophobicContact CB-CG2 3.56Å; P49-V185 HydrophobicContact CG-CB 4.28Å; P49-V185 HydrophobicContact CG-CG2 3.4Å; P49-V185 VanDerWaalsContact CG-CG2 3.4Å
50	Q	46.8	Very low	40.2	Very low	14 Å²	14	87 Å²	87	7%	0.065	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-59.3	126.3	171.4	-65.4	-167	26.5	0	0	109.6	F46 G48 I55 R187	F46-Q50 HydrophobicContact CB-CG 3.94Å; F46-Q50 HydrophobicContact CD2-CG 4.19Å; F46-Q50 HydrophobicContact CG-CG 4.04Å; G48-Q50 PolarHBondContact O-N 3.4Å; G48-Q50 VanDerWaalsContact O-N 3.1Å; Q50-I55 HydrophobicContact CB-CD1 4.43Å; Q50-I55 HydrophobicContact CB-CG1 4.19Å; Q50-R187 VanDerWaalsContact N-NH2 3.15Å; Q50-R187 PolarHBondContact O-NE 3.34Å; Q50-R187 VanDerWaalsContact O-NE 3.14Å; Q50-R187 PolarHBondContact O-NH2 3.43Å
51	T	52.1	Low	40.9	Very low	73 Å²	73	79 Å²	79	45%	0.448	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-65.2	150.8	172.4	56.7	0	0	0	0	109.7	P49 D53 K54 I55	P49-T51 PolarHBondContact O-N 3.33Å; T51-D53 PolarHBondContact O-N 2.92Å; T51-D53 VanDerWaalsContact O-N 3.14Å; T51-K54 PolarHBondContact O-N 3.06Å; T51-K54 WeakPolarHBondContact OG1-CG 3.43Å; T51-I55 PolarHBondContact O-N 3.3Å
52	C	54.8	Low	42	Very low	15 Å²	15	72.6 Å²	72.6	10%	0.101	42%	0.42	C	S	.	.	H	α-helix	trans	-52.3	-36.5	178.3	-59.8	0	0	0	0	111.8	K54 I55 V56 D191 C192	C52-K54 PolarHBondContact O-N 3.4Å; C52-I55 VanDerWaalsContact O-CB 3.31Å; C52-I55 WeakPolarHBondContact O-CB 3.16Å; C52-I55 PolarHBondContact O-N 2.87Å; C52-I55 VanDerWaalsContact O-N 3.13Å; C52-V56 VanDerWaalsContact O-CG2 3.27Å; C52-V56 WeakPolarHBondContact O-CG2 3.49Å; C52-V56 PolarHBondContact O-N 2.99Å; C52-V56 VanDerWaalsContact O-N 3.11Å; C52-D191 WeakPolarHBondContact CB-O 3.22Å; C52-D191 PolarHBondContact SG-O 3.39Å; C52-C192 HydrophobicContact CB-CB 4.02Å; C52-C192 WeakPolarHBondContact CB-SG 3.07Å; C52-C192 WeakPolarHBondContact SG-CA 3.28Å; C52-C192 WeakPolarHBondContact SG-CB 3.34Å; C52-C192 CovalentContact SG-SG 2.02Å; C52-C192 PolarHBondContact SG-SG 3.42Å
53	D	55.6	Low	43.3	Very low	127 Å²	127	68.9 Å²	68.9	68%	0.679	39%	0.389	S	S	*	.	H	α-helix	trans	-66.3	-35	178	-55.2	-40.3	0	0	0	113.9	T51 I55 V56 G57	T51-D53 PolarHBondContact O-N 2.92Å; T51-D53 VanDerWaalsContact O-N 3.14Å; D53-I55 PolarHBondContact O-N 3.43Å; D53-V56 PolarHBondContact O-N 2.72Å; D53-G57 PolarHBondContact O-N 3.23Å
54	K	52.6	Low	44.7	Very low	113 Å²	113	65.6 Å²	65.6	49%	0.491	37%	0.366	S	S	.	.	H	α-helix	trans	-68.7	-26.7	175.2	-75.3	-179.3	-179.2	178.3	0	111.9	T51 C52	T51-K54 PolarHBondContact O-N 3.06Å; T51-K54 WeakPolarHBondContact OG1-CG 3.43Å; C52-K54 PolarHBondContact O-N 3.4Å
55	I	51.9	Low	46.3	Very low	19 Å²	19	63.2 Å²	63.2	10%	0.097	35%	0.349	C	S	.	.	H	α-helix	trans	-74.8	-42.8	176.5	-62.9	160.4	0	0	0	110.4	Q50 T51 C52 D53 G57 L62 V195	Q50-I55 HydrophobicContact CB-CD1 4.43Å; Q50-I55 HydrophobicContact CB-CG1 4.19Å; T51-I55 PolarHBondContact O-N 3.3Å; C52-I55 VanDerWaalsContact O-CB 3.31Å; C52-I55 WeakPolarHBondContact O-CB 3.16Å; C52-I55 PolarHBondContact O-N 2.87Å; C52-I55 VanDerWaalsContact O-N 3.13Å; D53-I55 PolarHBondContact O-N 3.43Å; I55-G57 VanDerWaalsContact C-N 3.33Å; I55-G57 PolarHBondContact O-N 3.38Å; I55-L62 HydrophobicContact CB-CD2 4.35Å; I55-L62 HydrophobicContact CD1-CD2 3.54Å; I55-L62 HydrophobicContact CG1-CD2 3.75Å; I55-L62 HydrophobicContact CG2-CD1 4.02Å; I55-L62 HydrophobicContact CG2-CD2 3.64Å; I55-L62 HydrophobicContact CG2-CG 3.9Å; I55-V195 HydrophobicContact CB-CG2 4.03Å; I55-V195 HydrophobicContact CD1-CG2 4.38Å; I55-V195 HydrophobicContact CG2-CB 4.22Å; I55-V195 HydrophobicContact CG2-CG1 3.66Å; I55-V195 HydrophobicContact CG2-CG2 3.64Å
56	V	50.2	Low	47.8	Very low	78 Å²	78	60.5 Å²	60.5	47%	0.473	34%	0.336	S	S	.	.	H	α-helix	trans	-71.1	-27.4	-174.7	178.2	0	0	0	0	112.6	C52 D53 S194 V195	C52-V56 VanDerWaalsContact O-CG2 3.27Å; C52-V56 WeakPolarHBondContact O-CG2 3.49Å; C52-V56 PolarHBondContact O-N 2.99Å; C52-V56 VanDerWaalsContact O-N 3.11Å; D53-V56 PolarHBondContact O-N 2.72Å; V56-S194 WeakPolarHBondContact CG2-OG 3.49Å; V56-V195 HydrophobicContact CG2-CG2 4.19Å
57	G	46.3	Very low	49.3	Very low	69 Å²	69	59.3 Å²	59.3	71%	0.711	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-11.1	-175.7	0	0	0	0	0	116.3	D53 I55	D53-G57 PolarHBondContact O-N 3.23Å; I55-G57 VanDerWaalsContact C-N 3.33Å; I55-G57 PolarHBondContact O-N 3.38Å
58	K	44.5	Very low	51	Low	124 Å²	124	54.9 Å²	54.9	54%	0.539	32%	0.315	S	S	.	.			trans	-122.7	133.8	-175.9	-70	-172.8	175.6	-176.1	0	110.6	A60	K58-A60 HydrophobicContact CB-CB 4.01Å; K58-A60 PolarHBondContact O-N 2.88Å
59	K	44.3	Very low	52.3	Low	208 Å²	208	54.6 Å²	54.6	90%	0.904	30%	0.304	S	S	*	.			trans	-64.5	19.3	166.7	-66	-178.3	178.4	175.9	0	112.9
60	A	41.2	Very low	53.6	Low	46 Å²	46	52.9 Å²	52.9	38%	0.38	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-85.2	139.6	-176.3	0	0	0	0	0	109.3	K58	K58-A60 HydrophobicContact CB-CB 4.01Å; K58-A60 PolarHBondContact O-N 2.88Å
61	P	43.7	Very low	54.8	Low	41 Å²	41	53.2 Å²	53.2	27%	0.266	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-61	149.8	173.7	26.5	-33.1	0	0	0	110.8	Y63	P61-Y63 HydrophobicContact CG-CE1 3.97Å; P61-Y63 HydrophobicContact CG-CE2 3.94Å; P61-Y63 VanDerWaalsContact CG-CZ 3.46Å; P61-Y63 VanDerWaalsContact CG-OH 3.22Å; P61-Y63 WeakPolarHBondContact CG-OH 3.48Å; P61-Y63 VanDerWaalsContact O-CD2 3.25Å; P61-Y63 WeakPolarHBondContact O-CD2 3.29Å; P61-Y63 WeakPolarHBondContact O-CE2 3.5Å; P61-Y63 PolarHBondContact O-N 3.38Å
62	L	48.8	Very low	56	Low	40 Å²	40	50 Å²	50	21%	0.209	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-73.7	118	179	-89.6	144.3	0	0	0	109.3	I55 D144 I146 V195	I55-L62 HydrophobicContact CB-CD2 4.35Å; I55-L62 HydrophobicContact CD1-CD2 3.54Å; I55-L62 HydrophobicContact CG1-CD2 3.75Å; I55-L62 HydrophobicContact CG2-CD1 4.02Å; I55-L62 HydrophobicContact CG2-CD2 3.64Å; I55-L62 HydrophobicContact CG2-CG 3.9Å; L62-D144 CarbonylContact O-C 3.5Å; L62-I146 HydrophobicContact CB-CG1 3.94Å; L62-I146 HydrophobicContact CD1-CD1 3.4Å; L62-I146 HydrophobicContact CD1-CG1 3.47Å; L62-I146 VanDerWaalsContact CD1-CG1 3.47Å; L62-I146 HydrophobicContact CG-CG1 4.26Å; L62-V195 HydrophobicContact CD1-CG1 3.76Å
63	Y	53	Low	56.9	Low	40 Å²	40	51 Å²	51	16%	0.157	28%	0.28	C	S	.	.			trans	-106.5	131.6	177.8	-59.5	-67.5	0	0	0	111	P61 V142 Y143 D144	P61-Y63 HydrophobicContact CG-CE1 3.97Å; P61-Y63 HydrophobicContact CG-CE2 3.94Å; P61-Y63 VanDerWaalsContact CG-CZ 3.46Å; P61-Y63 VanDerWaalsContact CG-OH 3.22Å; P61-Y63 WeakPolarHBondContact CG-OH 3.48Å; P61-Y63 VanDerWaalsContact O-CD2 3.25Å; P61-Y63 WeakPolarHBondContact O-CD2 3.29Å; P61-Y63 WeakPolarHBondContact O-CE2 3.5Å; P61-Y63 PolarHBondContact O-N 3.38Å; Y63-V142 HydrophobicContact CD1-CG1 3.57Å; Y63-V142 HydrophobicContact CE1-CG1 4.45Å; Y63-V142 HydrophobicContact CG-CG1 3.9Å; Y63-Y143 WeakPolarHBondContact CA-O 3.18Å; Y63-D144 VanDerWaalsContact CD1-OD1 3.25Å; Y63-D144 WeakPolarHBondContact CD1-OD1 3.45Å; Y63-D144 HydrophobicContact CE1-CB 4.4Å; Y63-D144 WeakPolarHBondContact CE1-OD1 3.2Å
64	T	55.3	Low	57.9	Low	10 Å²	10	45.4 Å²	45.4	6%	0.061	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.2	166.6	-53.9	0	0	0	0	108.7	F66 V142 Y143 T149 T184	T64-F66 HydrophobicContact CG2-CD2 4.29Å; T64-F66 HydrophobicContact CG2-CE2 3.52Å; T64-F66 HydrophobicContact CG2-CZ 3.73Å; T64-V142 CarbonylContact O-C 3.46Å; T64-V142 WeakPolarHBondContact O-CA 3.37Å; T64-Y143 PolarHBondContact N-O 3.19Å; T64-Y143 VanDerWaalsContact N-O 3.08Å; T64-Y143 PolarHBondContact O-N 3.01Å; T64-T149 VanDerWaalsContact OG1-CG2 3.26Å; T64-T149 WeakPolarHBondContact OG1-CG2 3.32Å; T64-T184 HydrophobicContact CG2-CG2 4.48Å
65	H	61	Low	59.1	Low	36 Å²	36	46 Å²	46	17%	0.167	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.9	-177	-65.9	-98.7	0	0	0	110.3	D140 I141 V142	H65-D140 WeakPolarHBondContact CB-OD1 3.33Å; H65-D140 IonicContact CE1-OD2 3.53Å; H65-D140 IonicContact CG-OD1 3.11Å; H65-D140 IonicContact CG-OD2 3.81Å; H65-D140 IonicContact ND1-OD1 2.83Å; H65-D140 PolarHBondContact ND1-OD1 3.04Å; H65-D140 IonicContact ND1-OD2 2.68Å; H65-D140 PolarHBondContact ND1-OD2 2.67Å; H65-I141 CarbonylContact C-O 3.48Å; H65-I141 WeakPolarHBondContact CA-O 3.34Å; H65-V142 WeakPolarHBondContact ND1-CG2 3.09Å
66	F	62.2	Low	60.2	Low	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	113.7	171.7	-63.6	-88.2	0	0	0	109.3	T64 D140 I141 Y143 L151 L156 T184	T64-F66 HydrophobicContact CG2-CD2 4.29Å; T64-F66 HydrophobicContact CG2-CE2 3.52Å; T64-F66 HydrophobicContact CG2-CZ 3.73Å; F66-D140 WeakPolarHBondContact O-CA 3.32Å; F66-I141 HydrophobicContact CB-CB 4.26Å; F66-I141 PolarHBondContact N-O 3.38Å; F66-I141 PolarHBondContact O-N 3.44Å; F66-Y143 AromaticContact CD2-CD2 3.81Å; F66-Y143 HydrophobicContact CD2-CD2 3.81Å; F66-Y143 AromaticContact CD2-CE2 3.64Å; F66-Y143 HydrophobicContact CD2-CE2 3.64Å; F66-Y143 AromaticContact CE2-CD2 3.71Å; F66-Y143 HydrophobicContact CE2-CD2 3.71Å; F66-Y143 AromaticContact CE2-CE2 3.65Å; F66-Y143 HydrophobicContact CE2-CE2 3.65Å; F66-L151 HydrophobicContact CE1-CB 4.16Å; F66-L151 WeakPolarHBondContact CE1-O 3.18Å; F66-L151 HydrophobicContact CE2-CB 4.21Å; F66-L151 HydrophobicContact CZ-CB 3.66Å; F66-L151 WeakPolarHBondContact CZ-O 3.22Å; F66-L156 HydrophobicContact CB-CD2 3.88Å; F66-L156 HydrophobicContact CD1-CD2 3.68Å; F66-L156 HydrophobicContact CD2-CD2 4.41Å; F66-L156 HydrophobicContact CE1-CD2 4.31Å; F66-L156 HydrophobicContact CG-CD2 3.74Å; F66-T184 HydrophobicContact CD1-CG2 4.14Å; F66-T184 HydrophobicContact CE1-CG2 3.51Å; F66-T184 HydrophobicContact CZ-CG2 4Å
67	G	62	Low	61.1	Low	17 Å²	17	53.2 Å²	53.2	18%	0.175	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131	165.3	0	0	0	0	0	109.7	T139 I180 L181	G67-T139 CarbonylContact C-O 3.55Å; G67-T139 WeakPolarHBondContact CA-O 3.28Å; G67-I180 CarbonylContact O-C 3.51Å; G67-L181 VanDerWaalsContact CA-O 3.31Å; G67-L181 WeakPolarHBondContact CA-O 3.25Å; G67-L181 PolarHBondContact N-O 2.88Å; G67-L181 CarbonylContact O-C 3.56Å; G67-L181 WeakPolarHBondContact O-CA 3.14Å; G67-L181 PolarHBondContact O-N 2.84Å
68	I	66.2	Low	62.4	Low	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	121.7	173.6	-56.5	-169.9	0	0	0	108.2	I105 V138 T139 I141 L156 L160 V178	I68-I105 HydrophobicContact CG2-CD1 4.42Å; I68-V138 WeakPolarHBondContact O-CA 3.5Å; I68-T139 PolarHBondContact N-O 2.72Å; I68-T139 PolarHBondContact O-N 3.5Å; I68-I141 HydrophobicContact CD1-CD1 3.33Å; I68-I141 HydrophobicContact CD1-CG1 3.91Å; I68-I141 HydrophobicContact CG1-CD1 4.29Å; I68-I141 HydrophobicContact CG1-CG1 4.4Å; I68-L156 HydrophobicContact CD1-CD2 4.1Å; I68-L160 HydrophobicContact CD1-CD1 4.13Å; I68-V178 HydrophobicContact CG2-CG1 3.82Å
69	L	64.2	Low	63.8	Low	31 Å²	31	49.6 Å²	49.6	16%	0.162	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	118.5	165.8	-172.3	73.7	0	0	0	107.8	I128 F136 A137 V138 V178 K179 L181	L69-I128 HydrophobicContact CD1-CD1 4.47Å; L69-F136 HydrophobicContact CD1-CB 3.74Å; L69-F136 HydrophobicContact CD1-CD1 4.3Å; L69-F136 HydrophobicContact CD1-CG 4.35Å; L69-F136 HydrophobicContact CD2-CD1 4.18Å; L69-F136 HydrophobicContact CG-CB 4.25Å; L69-F136 HydrophobicContact CG-CD1 3.86Å; L69-F136 HydrophobicContact CG-CG 4.39Å; L69-A137 WeakPolarHBondContact CA-O 3.4Å; L69-V138 HydrophobicContact CD1-CG2 3.64Å; L69-V178 WeakPolarHBondContact O-CA 3.27Å; L69-K179 HydrophobicContact CB-CB 4.3Å; L69-K179 PolarHBondContact N-O 2.97Å; L69-K179 PolarHBondContact O-N 3.17Å; L69-L181 HydrophobicContact CB-CD1 4.07Å; L69-L181 HydrophobicContact CB-CG 4.27Å
70	I	69	Low	65.7	Low	9 Å²	9	40 Å²	40	5%	0.046	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.8	178.6	-175.4	163.7	0	0	0	110.2	M72 F104 I105 F136 A137 V178	I70-M72 PolarHBondContact O-N 2.86Å; I70-F104 HydrophobicContact CD1-CD1 3.35Å; I70-F104 HydrophobicContact CD1-CE1 3.52Å; I70-F104 HydrophobicContact CD1-CG 4.46Å; I70-I105 HydrophobicContact CD1-CG1 4.44Å; I70-I105 HydrophobicContact CG2-CD1 4.42Å; I70-F136 CarbonylContact O-C 3.42Å; I70-F136 VanDerWaalsContact O-CA 3.31Å; I70-F136 WeakPolarHBondContact O-CA 3.24Å; I70-A137 HydrophobicContact CG2-CB 3.95Å; I70-A137 PolarHBondContact N-O 3.49Å; I70-A137 PolarHBondContact O-N 3.48Å; I70-V178 HydrophobicContact CD1-CG2 4.42Å; I70-V178 HydrophobicContact CG1-CG2 4.21Å
71	E	72.1	Confident	67.7	Low	21 Å²	21	39.2 Å²	39.2	10%	0.098	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	127.8	168	-173.3	176.4	82.1	0	0	109.9	P79 F136 H177	E71-P79 HydrophobicContact CG-CB 4.4Å; E71-P79 WeakPolarHBondContact OE1-CG 3.38Å; E71-F136 HydrophobicContact CB-CD1 4.1Å; E71-F136 HydrophobicContact CB-CE1 3.66Å; E71-F136 HydrophobicContact CB-CZ 4.02Å; E71-F136 HydrophobicContact CG-CE1 4.28Å; E71-F136 HydrophobicContact CG-CZ 4.14Å; E71-H177 HydrophobicContact CB-CB 4.2Å; E71-H177 PolarHBondContact N-O 2.02Å; E71-H177 IonicContact OE2-CD2 2.7Å
72	M	77	Confident	69.6	Low	6 Å²	6	39 Å²	39	3%	0.03	21%	0.21	C	C	.	.			trans	-80.3	147	-180	-59.1	174.8	65.1	0	0	109.9	I70 L80 F85 F97 Y127 M135 A137	I70-M72 PolarHBondContact O-N 2.86Å; M72-L80 HydrophobicContact CB-CB 3.88Å; M72-L80 HydrophobicContact CB-CD2 3.98Å; M72-L80 HydrophobicContact CE-CD2 3.63Å; M72-L80 WeakPolarHBondContact O-CB 3.38Å; M72-L80 PolarHBondContact O-N 3.45Å; M72-L80 HydrophobicContact SD-CD2 4.29Å; M72-F85 HydrophobicContact CE-CD2 4.2Å; M72-F85 HydrophobicContact CE-CE2 4.26Å; M72-F97 HydrophobicContact CE-CB 3.33Å; M72-F97 HydrophobicContact CE-CD1 3.57Å; M72-F97 HydrophobicContact CE-CD2 4.02Å; M72-F97 HydrophobicContact CE-CE1 4.38Å; M72-F97 HydrophobicContact CE-CG 3.36Å; M72-Y127 HydrophobicContact CE-CD1 3.89Å; M72-Y127 HydrophobicContact CE-CE1 3.74Å; M72-Y127 HydrophobicContact SD-CD1 3.5Å; M72-Y127 VanDerWaalsContact SD-CD1 3.5Å; M72-Y127 HydrophobicContact SD-CE1 3.93Å; M72-M135 HydrophobicContact CB-CB 4.43Å; M72-M135 VanDerWaalsContact CB-O 3.28Å; M72-M135 WeakPolarHBondContact CB-O 3.46Å; M72-M135 HydrophobicContact CG-CB 4.48Å; M72-M135 WeakPolarHBondContact CG-O 3.39Å; M72-M135 PolarHBondContact N-O 2.94Å; M72-M135 HydrophobicContact SD-CB 3.76Å; M72-A137 HydrophobicContact CG-CB 3.93Å; M72-A137 HydrophobicContact SD-CB 4.1Å
73	S	73.6	Confident	71.5	Confident	34 Å²	34	44.8 Å²	44.8	24%	0.238	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-118.4	144.5	176.9	68.7	0	0	0	0	111.6	N78	S73-N78 CarbonylContact C-O 3.58Å; S73-N78 WeakPolarHBondContact CA-O 3.43Å
74	D	77.5	Confident	73.1	Confident	11 Å²	11	47.6 Å²	47.6	6%	0.059	25%	0.249	C	C	.	.			trans	-74.3	-176.6	168	71.2	15.1	0	0	0	112.1	E76 M77 N78 L80 K84 R100	D74-E76 PolarHBondContact O-N 2.95Å; D74-E76 WeakPolarHBondContact OD1-CA 3.38Å; D74-E76 WeakPolarHBondContact OD1-CB 3.38Å; D74-E76 PolarHBondContact OD1-N 3.32Å; D74-M77 PolarHBondContact O-N 3.04Å; D74-M77 PolarHBondContact OD1-N 3.48Å; D74-M77 VanDerWaalsContact OD1-N 3.16Å; D74-N78 PolarHBondContact N-O 3.27Å; D74-N78 PolarHBondContact OD1-N 2.88Å; D74-L80 HydrophobicContact CB-CD1 4.02Å; D74-K84 HydrophobicContact CB-CD 4.41Å; D74-K84 IonicContact OD2-NZ 3.82Å; D74-K84 PolarHBondContact OD2-NZ 3.31Å; D74-R100 VanDerWaalsContact O-CZ 3.25Å; D74-R100 PolarHBondContact O-NH1 3.49Å; D74-R100 VanDerWaalsContact O-NH1 3.16Å; D74-R100 PolarHBondContact O-NH2 3.36Å
75	N	76.2	Confident	74.6	Confident	126 Å²	126	47.7 Å²	47.7	67%	0.674	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.1	-179.6	-66	-18.2	0	0	0	113.8	M77 R100	N75-M77 VanDerWaalsContact C-N 3.3Å; N75-R100 PolarHBondContact OD1-NH1 2.82Å
76	E	76.2	Confident	75.9	Confident	135 Å²	135	50 Å²	50	63%	0.631	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	6	177.1	-62.9	171.2	-173.1	0	0	112	D74 N78	D74-E76 PolarHBondContact O-N 2.95Å; D74-E76 WeakPolarHBondContact OD1-CA 3.38Å; D74-E76 WeakPolarHBondContact OD1-CB 3.38Å; D74-E76 PolarHBondContact OD1-N 3.32Å; E76-N78 WeakPolarHBondContact CB-ND2 3.3Å; E76-N78 PolarHBondContact O-N 2.87Å; E76-N78 PolarHBondContact OE2-ND2 2.91Å
77	M	68.3	Low	77.2	Confident	113 Å²	113	54 Å²	54	56%	0.557	30%	0.295	S	S	*	.	S	Bend	trans	65.1	17.9	-175.9	-58.3	-73.2	-77	0	0	113.6	D74 N75 R100	D74-M77 PolarHBondContact O-N 3.04Å; D74-M77 PolarHBondContact OD1-N 3.48Å; D74-M77 VanDerWaalsContact OD1-N 3.16Å; N75-M77 VanDerWaalsContact C-N 3.3Å; M77-R100 PolarHBondContact SD-NH2 2.9Å
78	N	74	Confident	78.4	Confident	62 Å²	62	54.5 Å²	54.5	33%	0.332	30%	0.295	S	S	.	.	S	Bend	trans	-82.8	150.6	171.1	-64.9	-52.7	0	0	0	110	S73 D74 E76 L80	S73-N78 CarbonylContact C-O 3.58Å; S73-N78 WeakPolarHBondContact CA-O 3.43Å; D74-N78 PolarHBondContact N-O 3.27Å; D74-N78 PolarHBondContact OD1-N 2.88Å; E76-N78 WeakPolarHBondContact CB-ND2 3.3Å; E76-N78 PolarHBondContact O-N 2.87Å; E76-N78 PolarHBondContact OE2-ND2 2.91Å; N78-L80 PolarHBondContact O-N 3.31Å
79	P	75	Confident	79.4	Confident	55 Å²	55	57.5 Å²	57.5	36%	0.357	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-50.8	127	172.8	-26.4	34.7	0	0	0	110.9	E71 S81 T134	E71-P79 HydrophobicContact CG-CB 4.4Å; E71-P79 WeakPolarHBondContact OE1-CG 3.38Å; P79-S81 PolarHBondContact O-N 3.04Å; P79-T134 HydrophobicContact CB-CG2 3.63Å
80	L	82.6	Confident	80.2	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.026	34%	0.342	C	S	.	.			trans	-71.5	115.4	-176.2	-178	70.2	0	0	0	109.2	M72 D74 N78 K84 F85 F97 T134 M135	M72-L80 HydrophobicContact CB-CB 3.88Å; M72-L80 HydrophobicContact CB-CD2 3.98Å; M72-L80 HydrophobicContact CE-CD2 3.63Å; M72-L80 WeakPolarHBondContact O-CB 3.38Å; M72-L80 PolarHBondContact O-N 3.45Å; M72-L80 HydrophobicContact SD-CD2 4.29Å; D74-L80 HydrophobicContact CB-CD1 4.02Å; N78-L80 PolarHBondContact O-N 3.31Å; L80-K84 HydrophobicContact CD1-CB 3.73Å; L80-F85 HydrophobicContact CD2-CB 3.99Å; L80-F85 HydrophobicContact CD2-CD2 3.96Å; L80-F85 HydrophobicContact CD2-CG 4.48Å; L80-F85 HydrophobicContact CG-CB 4.28Å; L80-F97 HydrophobicContact CD1-CE1 4.14Å; L80-F97 HydrophobicContact CD1-CZ 4.35Å; L80-F97 HydrophobicContact CD2-CD1 3.89Å; L80-F97 HydrophobicContact CD2-CE1 3.4Å; L80-F97 VanDerWaalsContact CD2-CE1 3.4Å; L80-F97 HydrophobicContact CD2-CE2 4.33Å; L80-F97 HydrophobicContact CD2-CZ 3.67Å; L80-F97 HydrophobicContact CG-CE1 4.45Å; L80-T134 CarbonylContact O-C 3.4Å; L80-T134 WeakPolarHBondContact O-CA 3.31Å; L80-M135 HydrophobicContact CD2-CB 4.26Å; L80-M135 HydrophobicContact CG-CB 4.49Å; L80-M135 PolarHBondContact O-N 3.23Å
81	S	84.5	Confident	80.7	Confident	30 Å²	30	69.6 Å²	69.6	21%	0.21	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-70.6	153.9	176.3	70.5	0	0	0	0	112	P79 E83 K84 F85 E133	P79-S81 PolarHBondContact O-N 3.04Å; S81-E83 PolarHBondContact O-N 3.45Å; S81-K84 PolarHBondContact O-N 2.83Å; S81-K84 WeakPolarHBondContact OG-CG 3.28Å; S81-K84 PolarHBondContact OG-N 2.98Å; S81-K84 VanDerWaalsContact OG-N 3.15Å; S81-F85 WeakPolarHBondContact O-CB 3.42Å; S81-F85 PolarHBondContact O-N 3.38Å; S81-E133 CarbonylContact C-O 3.57Å; S81-E133 WeakPolarHBondContact CA-O 3.4Å
82	V	84	Confident	81.2	Confident	37 Å²	37	73.5 Å²	73.5	22%	0.224	39%	0.393	C	S	.	.	H	α-helix	trans	-55.1	-39.5	172.7	172.9	0	0	0	0	110.5	F85 N86 P129 E133 M135	V82-F85 PolarHBondContact O-N 2.95Å; V82-N86 WeakPolarHBondContact CG1-ND2 3.35Å; V82-N86 VanDerWaalsContact O-CB 3.29Å; V82-N86 WeakPolarHBondContact O-CB 3.31Å; V82-N86 VanDerWaalsContact O-CG 3.27Å; V82-N86 PolarHBondContact O-N 3.23Å; V82-N86 PolarHBondContact O-ND2 3.2Å; V82-P129 HydrophobicContact CG2-CB 3.74Å; V82-E133 HydrophobicContact CG2-CB 4.41Å; V82-E133 WeakPolarHBondContact CG2-O 3.22Å; V82-E133 PolarHBondContact N-O 2.76Å; V82-M135 HydrophobicContact CB-SD 4.36Å; V82-M135 HydrophobicContact CG2-CG 4.24Å; V82-M135 HydrophobicContact CG2-SD 3.66Å
83	E	86.7	Confident	81.3	Confident	162 Å²	162	75.4 Å²	75.4	76%	0.757	40%	0.4	S	S	*	.	H	α-helix	trans	-60.6	-52.7	175.9	-172.8	-174.3	-179.5	0	0	111.8	S81 F85 N86 A87	S81-E83 PolarHBondContact O-N 3.45Å; E83-F85 VanDerWaalsContact C-N 3.29Å; E83-F85 PolarHBondContact O-N 3.25Å; E83-N86 PolarHBondContact O-N 2.97Å; E83-N86 VanDerWaalsContact O-N 3.15Å; E83-A87 PolarHBondContact O-N 3.02Å
84	K	87.7	Confident	81	Confident	98 Å²	98	79.4 Å²	79.4	43%	0.426	41%	0.41	S	S	.	.	H	α-helix	trans	-62.6	-36.4	178.5	-74.3	-173	-174.1	-171.8	0	112	D74 L80 S81	D74-K84 HydrophobicContact CB-CD 4.41Å; D74-K84 IonicContact OD2-NZ 3.82Å; D74-K84 PolarHBondContact OD2-NZ 3.31Å; L80-K84 HydrophobicContact CD1-CB 3.73Å; S81-K84 PolarHBondContact O-N 2.83Å; S81-K84 WeakPolarHBondContact OG-CG 3.28Å; S81-K84 PolarHBondContact OG-N 2.98Å; S81-K84 VanDerWaalsContact OG-N 3.15Å
85	F	86.7	Confident	80.7	Confident	12 Å²	12	85.3 Å²	85.3	5%	0.053	44%	0.438	C	S	.	.	H	α-helix	trans	-65.9	-43.2	174.7	176.3	-93.2	0	0	0	111.8	M72 L80 S81 V82 E83 A87 V88 R93 F97 Y127 M135	M72-F85 HydrophobicContact CE-CD2 4.2Å; M72-F85 HydrophobicContact CE-CE2 4.26Å; L80-F85 HydrophobicContact CD2-CB 3.99Å; L80-F85 HydrophobicContact CD2-CD2 3.96Å; L80-F85 HydrophobicContact CD2-CG 4.48Å; L80-F85 HydrophobicContact CG-CB 4.28Å; S81-F85 WeakPolarHBondContact O-CB 3.42Å; S81-F85 PolarHBondContact O-N 3.38Å; V82-F85 PolarHBondContact O-N 2.95Å; E83-F85 VanDerWaalsContact C-N 3.29Å; E83-F85 PolarHBondContact O-N 3.25Å; F85-A87 VanDerWaalsContact C-N 3.3Å; F85-A87 PolarHBondContact O-N 2.95Å; F85-V88 PolarHBondContact O-N 2.96Å; F85-R93 HydrophobicContact CZ-CG 4.46Å; F85-R93 PolarHBondContact O-NE 2.72Å; F85-F97 AromaticContact CD2-CD2 3.7Å; F85-F97 HydrophobicContact CD2-CD2 3.7Å; F85-F97 AromaticContact CD2-CE2 3.48Å; F85-F97 HydrophobicContact CD2-CE2 3.48Å; F85-F97 VanDerWaalsContact CD2-CE2 3.48Å; F85-F97 HydrophobicContact CD2-CZ 4.15Å; F85-F97 AromaticContact CE2-CD2 3.7Å; F85-F97 HydrophobicContact CE2-CD2 3.7Å; F85-F97 AromaticContact CE2-CE2 3.91Å; F85-F97 HydrophobicContact CE2-CE2 3.91Å; F85-F97 HydrophobicContact CG-CE2 4.31Å; F85-Y127 AromaticContact CE2-CD1 3.93Å; F85-Y127 HydrophobicContact CE2-CD1 3.93Å; F85-Y127 AromaticContact CE2-CD2 3.91Å; F85-Y127 HydrophobicContact CE2-CD2 3.91Å; F85-Y127 HydrophobicContact CE2-CE1 4.35Å; F85-Y127 HydrophobicContact CE2-CE2 4.34Å; F85-Y127 AromaticContact CE2-CG 3.67Å; F85-Y127 HydrophobicContact CE2-CG 3.67Å; F85-Y127 HydrophobicContact CZ-CD1 4.34Å; F85-Y127 AromaticContact CZ-CD2 3.62Å; F85-Y127 HydrophobicContact CZ-CD2 3.62Å; F85-Y127 HydrophobicContact CZ-CE2 4.33Å; F85-Y127 AromaticContact CZ-CG 3.62Å; F85-Y127 HydrophobicContact CZ-CG 3.62Å; F85-M135 HydrophobicContact CB-CG 3.58Å; F85-M135 HydrophobicContact CB-SD 4.44Å; F85-M135 HydrophobicContact CD1-CE 3.72Å; F85-M135 HydrophobicContact CD1-CG 4.32Å; F85-M135 HydrophobicContact CD1-SD 4.2Å; F85-M135 HydrophobicContact CD2-CE 4.09Å; F85-M135 HydrophobicContact CD2-CG 4.17Å; F85-M135 HydrophobicContact CE1-CE 3.68Å; F85-M135 HydrophobicContact CE2-CE 4.06Å; F85-M135 HydrophobicContact CG-CE 3.92Å; F85-M135 HydrophobicContact CG-CG 3.78Å; F85-M135 HydrophobicContact CG-SD 4.26Å; F85-M135 HydrophobicContact CZ-CE 3.85Å
86	N	87.6	Confident	80.6	Confident	86 Å²	86	83.5 Å²	83.5	46%	0.46	43%	0.425	S	S	.	.	H	α-helix	trans	-70.9	-26.4	-179	-76.5	-28.5	0	0	0	113.2	V82 E83 V88 R93	V82-N86 WeakPolarHBondContact CG1-ND2 3.35Å; V82-N86 VanDerWaalsContact O-CB 3.29Å; V82-N86 WeakPolarHBondContact O-CB 3.31Å; V82-N86 VanDerWaalsContact O-CG 3.27Å; V82-N86 PolarHBondContact O-N 3.23Å; V82-N86 PolarHBondContact O-ND2 3.2Å; E83-N86 PolarHBondContact O-N 2.97Å; E83-N86 VanDerWaalsContact O-N 3.15Å; N86-V88 PolarHBondContact O-N 3.06Å; N86-R93 PolarHBondContact O-NH2 3Å; N86-R93 VanDerWaalsContact O-NH2 3.13Å; N86-R93 PolarHBondContact OD1-NH2 3.42Å
87	A	90.8	Very high	80.7	Confident	83 Å²	83	77.4 Å²	77.4	69%	0.686	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.3	173.8	0	0	0	0	0	113.6	E83 F85	E83-A87 PolarHBondContact O-N 3.02Å; F85-A87 VanDerWaalsContact C-N 3.3Å; F85-A87 PolarHBondContact O-N 2.95Å
88	V	87	Confident	80.8	Confident	27 Å²	27	72.2 Å²	72.2	16%	0.164	37%	0.371	C	S	.	.	S	Bend	trans	-84.9	130	174.5	-178.5	0	0	0	0	109.6	F85 N86 E90 Q92 R93 F97	F85-V88 PolarHBondContact O-N 2.96Å; N86-V88 PolarHBondContact O-N 3.06Å; V88-E90 PolarHBondContact O-N 3.24Å; V88-Q92 HydrophobicContact CG1-CB 3.99Å; V88-R93 HydrophobicContact CB-CG 4.06Å; V88-R93 HydrophobicContact CG1-CG 3.93Å; V88-R93 PolarHBondContact O-NE 3.43Å; V88-R93 PolarHBondContact O-NH2 3.47Å; V88-F97 HydrophobicContact CB-CE2 4.1Å; V88-F97 HydrophobicContact CB-CZ 4.43Å; V88-F97 HydrophobicContact CG1-CE2 4.4Å; V88-F97 HydrophobicContact CG2-CE2 4Å; V88-F97 HydrophobicContact CG2-CZ 3.82Å
89	P	87	Confident	80.6	Confident	65 Å²	65	76.4 Å²	76.4	42%	0.422	39%	0.386	S	S	.	.			trans	-54.6	136.8	175	-27.2	35.8	0	0	0	112.1	N91 Q92 R93	P89-N91 VanDerWaalsContact C-N 3.27Å; P89-N91 VanDerWaalsContact CB-OD1 3.23Å; P89-N91 WeakPolarHBondContact CB-OD1 3.36Å; P89-N91 PolarHBondContact O-N 3.45Å; P89-Q92 HydrophobicContact CB-CB 4.47Å; P89-Q92 HydrophobicContact CB-CG 4.38Å; P89-Q92 WeakPolarHBondContact O-CA 3.48Å; P89-Q92 WeakPolarHBondContact O-CB 3.48Å; P89-Q92 PolarHBondContact O-N 3.42Å; P89-R93 WeakPolarHBondContact O-CG 3.4Å; P89-R93 PolarHBondContact O-N 3.42Å; P89-R93 VanDerWaalsContact O-N 3.07Å
90	E	81.4	Confident	80.4	Confident	159 Å²	159	77.4 Å²	77.4	74%	0.743	38%	0.383	S	S	*	.	H	α-helix	trans	-53.5	-41.7	-173.3	-173.2	176.6	-178.5	0	0	113.4	V88 Q92 R93	V88-E90 PolarHBondContact O-N 3.24Å; E90-Q92 PolarHBondContact O-N 3.26Å; E90-R93 PolarHBondContact O-N 2.89Å
91	N	79.8	Confident	79.8	Confident	134 Å²	134	77.8 Å²	77.8	72%	0.717	39%	0.386	S	S	*	.	H	α-helix	trans	-64.3	-19.3	176.5	63.9	-16.3	0	0	0	114.2	P89	P89-N91 VanDerWaalsContact C-N 3.27Å; P89-N91 VanDerWaalsContact CB-OD1 3.23Å; P89-N91 WeakPolarHBondContact CB-OD1 3.36Å; P89-N91 PolarHBondContact O-N 3.45Å
92	Q	81	Confident	79.2	Confident	103 Å²	103	77.1 Å²	77.1	48%	0.481	38%	0.381	S	S	.	.	H	α-helix	trans	-100.2	-18.4	177.2	-65.4	179.5	6.7	0	0	112.8	V88 P89 E90 Y94 E95 H96	V88-Q92 HydrophobicContact CG1-CB 3.99Å; P89-Q92 HydrophobicContact CB-CB 4.47Å; P89-Q92 HydrophobicContact CB-CG 4.38Å; P89-Q92 WeakPolarHBondContact O-CA 3.48Å; P89-Q92 WeakPolarHBondContact O-CB 3.48Å; P89-Q92 PolarHBondContact O-N 3.42Å; E90-Q92 PolarHBondContact O-N 3.26Å; Q92-Y94 VanDerWaalsContact C-N 3.3Å; Q92-Y94 PolarHBondContact O-N 3.15Å; Q92-E95 PolarHBondContact O-N 3.11Å; Q92-H96 WeakPolarHBondContact O-CB 3.45Å; Q92-H96 PolarHBondContact O-N 3.21Å
93	R	79.6	Confident	78.6	Confident	47 Å²	47	81.5 Å²	81.5	18%	0.177	40%	0.397	C	S	.	.	H	α-helix	trans	-57.9	-42.1	-177.6	-69.9	-179.5	-167.9	173.2	2	112.1	F85 N86 V88 P89 E90 H96 F97	F85-R93 HydrophobicContact CZ-CG 4.46Å; F85-R93 PolarHBondContact O-NE 2.72Å; N86-R93 PolarHBondContact O-NH2 3Å; N86-R93 VanDerWaalsContact O-NH2 3.13Å; N86-R93 PolarHBondContact OD1-NH2 3.42Å; V88-R93 HydrophobicContact CB-CG 4.06Å; V88-R93 HydrophobicContact CG1-CG 3.93Å; V88-R93 PolarHBondContact O-NE 3.43Å; V88-R93 PolarHBondContact O-NH2 3.47Å; P89-R93 WeakPolarHBondContact O-CG 3.4Å; P89-R93 PolarHBondContact O-N 3.42Å; P89-R93 VanDerWaalsContact O-N 3.07Å; E90-R93 PolarHBondContact O-N 2.89Å; R93-H96 PolarHBondContact O-N 3.02Å; R93-F97 HydrophobicContact CB-CD2 4Å; R93-F97 HydrophobicContact CB-CE2 4.37Å; R93-F97 HydrophobicContact CG-CD2 4.31Å; R93-F97 HydrophobicContact CG-CE2 4.18Å; R93-F97 VanDerWaalsContact O-CB 3.24Å; R93-F97 WeakPolarHBondContact O-CB 3.24Å; R93-F97 WeakPolarHBondContact O-CD2 3.47Å; R93-F97 PolarHBondContact O-N 2.81Å
94	Y	67.7	Low	77.8	Confident	117 Å²	117	75.6 Å²	75.6	46%	0.459	37%	0.369	S	S	.	.	I	π-helix	trans	-61.7	-50.5	179.1	-171.7	-91.2	0	0	0	111.5	Q92 H96 A98	Q92-Y94 VanDerWaalsContact C-N 3.3Å; Q92-Y94 PolarHBondContact O-N 3.15Å; Y94-H96 VanDerWaalsContact C-N 3.34Å; Y94-H96 PolarHBondContact O-N 3.17Å; Y94-A98 HydrophobicContact CD1-CB 4.21Å; Y94-A98 HydrophobicContact CD2-CB 3.83Å; Y94-A98 HydrophobicContact CE1-CB 4.17Å; Y94-A98 HydrophobicContact CE2-CB 3.79Å; Y94-A98 HydrophobicContact CG-CB 4.05Å; Y94-A98 WeakPolarHBondContact O-CA 3.41Å; Y94-A98 WeakPolarHBondContact O-CB 3.37Å; Y94-A98 PolarHBondContact O-N 3.28Å
95	E	71.4	Confident	77	Confident	136 Å²	136	71 Å²	71	64%	0.636	35%	0.349	S	S	*	.	I	π-helix	trans	-63.1	-41.5	179.7	-173.9	173.4	-174.5	0	0	112.2	Q92 K99	Q92-E95 PolarHBondContact O-N 3.11Å; E95-K99 WeakPolarHBondContact O-CB 3.49Å
96	H	72.7	Confident	76.3	Confident	87 Å²	87	72.3 Å²	72.3	40%	0.403	36%	0.356	S	S	.	.	I	π-helix	trans	-71.8	-44.2	-176.6	-164.4	-89.6	0	0	0	112.4	Q92 R93 Y94	Q92-H96 WeakPolarHBondContact O-CB 3.45Å; Q92-H96 PolarHBondContact O-N 3.21Å; R93-H96 PolarHBondContact O-N 3.02Å; Y94-H96 VanDerWaalsContact C-N 3.34Å; Y94-H96 PolarHBondContact O-N 3.17Å
97	F	78.7	Confident	75.4	Confident	8 Å²	8	72.4 Å²	72.4	4%	0.035	35%	0.353	C	S	.	.	I	π-helix	trans	-102.6	-39.1	-170	-64.1	-53.1	0	0	0	114.2	M72 L80 F85 V88 R93 R100 S101 Y127	M72-F97 HydrophobicContact CE-CB 3.33Å; M72-F97 HydrophobicContact CE-CD1 3.57Å; M72-F97 HydrophobicContact CE-CD2 4.02Å; M72-F97 HydrophobicContact CE-CE1 4.38Å; M72-F97 HydrophobicContact CE-CG 3.36Å; L80-F97 HydrophobicContact CD1-CE1 4.14Å; L80-F97 HydrophobicContact CD1-CZ 4.35Å; L80-F97 HydrophobicContact CD2-CD1 3.89Å; L80-F97 HydrophobicContact CD2-CE1 3.4Å; L80-F97 VanDerWaalsContact CD2-CE1 3.4Å; L80-F97 HydrophobicContact CD2-CE2 4.33Å; L80-F97 HydrophobicContact CD2-CZ 3.67Å; L80-F97 HydrophobicContact CG-CE1 4.45Å; F85-F97 AromaticContact CD2-CD2 3.7Å; F85-F97 HydrophobicContact CD2-CD2 3.7Å; F85-F97 AromaticContact CD2-CE2 3.48Å; F85-F97 HydrophobicContact CD2-CE2 3.48Å; F85-F97 VanDerWaalsContact CD2-CE2 3.48Å; F85-F97 HydrophobicContact CD2-CZ 4.15Å; F85-F97 AromaticContact CE2-CD2 3.7Å; F85-F97 HydrophobicContact CE2-CD2 3.7Å; F85-F97 AromaticContact CE2-CE2 3.91Å; F85-F97 HydrophobicContact CE2-CE2 3.91Å; F85-F97 HydrophobicContact CG-CE2 4.31Å; V88-F97 HydrophobicContact CB-CE2 4.1Å; V88-F97 HydrophobicContact CB-CZ 4.43Å; V88-F97 HydrophobicContact CG1-CE2 4.4Å; V88-F97 HydrophobicContact CG2-CE2 4Å; V88-F97 HydrophobicContact CG2-CZ 3.82Å; R93-F97 HydrophobicContact CB-CD2 4Å; R93-F97 HydrophobicContact CB-CE2 4.37Å; R93-F97 HydrophobicContact CG-CD2 4.31Å; R93-F97 HydrophobicContact CG-CE2 4.18Å; R93-F97 VanDerWaalsContact O-CB 3.24Å; R93-F97 WeakPolarHBondContact O-CB 3.24Å; R93-F97 WeakPolarHBondContact O-CD2 3.47Å; R93-F97 PolarHBondContact O-N 2.81Å; F97-R100 PolarHBondContact O-N 2.75Å; F97-S101 WeakPolarHBondContact O-CB 3.33Å; F97-S101 PolarHBondContact O-N 2.82Å; F97-S101 PolarHBondContact O-OG 2.73Å; F97-Y127 HydrophobicContact CB-CE1 3.96Å
98	A	70.3	Confident	74.3	Confident	3 Å²	3	68.5 Å²	68.5	3%	0.025	32%	0.321	C	S	.	.	I	π-helix	trans	-67.2	-43.7	-179.2	0	0	0	0	0	110.9	Y94 R100 S101 C102 V124 Y127	Y94-A98 HydrophobicContact CD1-CB 4.21Å; Y94-A98 HydrophobicContact CD2-CB 3.83Å; Y94-A98 HydrophobicContact CE1-CB 4.17Å; Y94-A98 HydrophobicContact CE2-CB 3.79Å; Y94-A98 HydrophobicContact CG-CB 4.05Å; Y94-A98 WeakPolarHBondContact O-CA 3.41Å; Y94-A98 WeakPolarHBondContact O-CB 3.37Å; Y94-A98 PolarHBondContact O-N 3.28Å; A98-R100 VanDerWaalsContact C-N 3.28Å; A98-R100 PolarHBondContact O-N 3.37Å; A98-S101 PolarHBondContact O-N 2.72Å; A98-C102 WeakPolarHBondContact O-CB 3.38Å; A98-C102 PolarHBondContact O-N 3.17Å; A98-V124 HydrophobicContact CB-CB 3.7Å; A98-V124 HydrophobicContact CB-CG2 3.67Å; A98-Y127 PolarHBondContact N-OH 2.94Å
99	K	70.8	Confident	73.4	Confident	150 Å²	150	67.7 Å²	67.7	65%	0.652	32%	0.316	S	S	*	.	H	α-helix	trans	-58.7	-41.4	177.1	-170.3	177.6	-178.2	177.9	0	111.7	E95 K103	E95-K99 WeakPolarHBondContact O-CB 3.49Å; K99-K103 WeakPolarHBondContact O-CB 3.24Å; K99-K103 PolarHBondContact O-N 3.46Å
100	R	70.3	Confident	72.4	Confident	77 Å²	77	66.1 Å²	66.1	29%	0.291	31%	0.306	S	S	.	.	H	α-helix	trans	-68.9	-47.3	178.6	-171.8	173.7	-178.2	169.3	-5.3	111.9	D74 N75 M77 F97 A98 C102 K103 F104	D74-R100 VanDerWaalsContact O-CZ 3.25Å; D74-R100 PolarHBondContact O-NH1 3.49Å; D74-R100 VanDerWaalsContact O-NH1 3.16Å; D74-R100 PolarHBondContact O-NH2 3.36Å; N75-R100 PolarHBondContact OD1-NH1 2.82Å; M77-R100 PolarHBondContact SD-NH2 2.9Å; F97-R100 PolarHBondContact O-N 2.75Å; A98-R100 VanDerWaalsContact C-N 3.28Å; A98-R100 PolarHBondContact O-N 3.37Å; R100-C102 VanDerWaalsContact C-N 3.34Å; R100-C102 PolarHBondContact O-N 3.34Å; R100-K103 PolarHBondContact O-N 2.9Å; R100-F104 WeakPolarHBondContact O-CB 3.43Å; R100-F104 PolarHBondContact O-N 3.22Å
101	S	70.8	Confident	71.8	Confident	12 Å²	12	62.1 Å²	62.1	8%	0.084	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-46	178.6	-53.9	0	0	0	0	111	F97 A98 F104 I105	F97-S101 WeakPolarHBondContact O-CB 3.33Å; F97-S101 PolarHBondContact O-N 2.82Å; F97-S101 PolarHBondContact O-OG 2.73Å; A98-S101 PolarHBondContact O-N 2.72Å; S101-F104 PolarHBondContact O-N 2.69Å; S101-I105 WeakPolarHBondContact O-CG1 3.15Å; S101-I105 PolarHBondContact O-N 2.89Å
102	C	70.5	Confident	71	Confident	16 Å²	16	65.1 Å²	65.1	11%	0.108	30%	0.302	C	S	.	.	H	α-helix	trans	-70.4	-41.9	178.1	-82.9	0	0	0	0	113.5	A98 R100 F104 I105 M106 C122 S123	A98-C102 WeakPolarHBondContact O-CB 3.38Å; A98-C102 PolarHBondContact O-N 3.17Å; R100-C102 VanDerWaalsContact C-N 3.34Å; R100-C102 PolarHBondContact O-N 3.34Å; C102-F104 VanDerWaalsContact C-N 3.27Å; C102-F104 PolarHBondContact O-N 2.7Å; C102-I105 PolarHBondContact O-N 3.12Å; C102-M106 WeakPolarHBondContact O-CB 3.18Å; C102-M106 WeakPolarHBondContact O-CG 3.29Å; C102-M106 PolarHBondContact O-N 2.83Å; C102-C122 WeakPolarHBondContact CA-SG 3.03Å; C102-C122 HydrophobicContact CB-CB 3.61Å; C102-C122 WeakPolarHBondContact CB-SG 3.05Å; C102-C122 WeakPolarHBondContact SG-CB 3.4Å; C102-C122 PolarHBondContact SG-O 2.88Å; C102-C122 VanDerWaalsContact SG-O 3.41Å; C102-C122 CovalentContact SG-SG 2.04Å; C102-C122 PolarHBondContact SG-SG 3.04Å; C102-S123 PolarHBondContact SG-N 3.45Å
103	K	72.6	Confident	70.2	Confident	129 Å²	129	69.7 Å²	69.7	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-55.5	-48.1	173.7	178.5	178.4	172.9	-176.7	0	110.5	K99 R100 M106 E107	K99-K103 WeakPolarHBondContact O-CB 3.24Å; K99-K103 PolarHBondContact O-N 3.46Å; R100-K103 PolarHBondContact O-N 2.9Å; K103-M106 PolarHBondContact O-N 3.11Å; K103-E107 WeakPolarHBondContact CE-OE1 3.39Å; K103-E107 WeakPolarHBondContact CG-OE1 3.48Å; K103-E107 IonicContact NZ-OE1 3.92Å; K103-E107 WeakPolarHBondContact O-CB 3.33Å; K103-E107 VanDerWaalsContact O-CG 3.29Å; K103-E107 WeakPolarHBondContact O-CG 3.22Å; K103-E107 PolarHBondContact O-N 3.37Å
104	F	69.4	Low	69.5	Low	38 Å²	38	69.2 Å²	69.2	17%	0.167	32%	0.32	C	S	.	.	H	α-helix	trans	-57	-55.1	177.6	173.6	-95.9	0	0	0	111.5	I70 R100 S101 C102 M106 E107 Q108 F173	I70-F104 HydrophobicContact CD1-CD1 3.35Å; I70-F104 HydrophobicContact CD1-CE1 3.52Å; I70-F104 HydrophobicContact CD1-CG 4.46Å; R100-F104 WeakPolarHBondContact O-CB 3.43Å; R100-F104 PolarHBondContact O-N 3.22Å; S101-F104 PolarHBondContact O-N 2.69Å; C102-F104 VanDerWaalsContact C-N 3.27Å; C102-F104 PolarHBondContact O-N 2.7Å; F104-M106 VanDerWaalsContact C-N 3.31Å; F104-M106 PolarHBondContact O-N 2.04Å; F104-E107 PolarHBondContact O-N 3.17Å; F104-Q108 HydrophobicContact CE1-CG 4.06Å; F104-Q108 HydrophobicContact CE2-CG 4.12Å; F104-Q108 HydrophobicContact CZ-CG 3.73Å; F104-Q108 WeakPolarHBondContact O-CG 3.38Å; F104-Q108 PolarHBondContact O-N 2.93Å; F104-F173 HydrophobicContact CD2-CE2 4.49Å; F104-F173 HydrophobicContact CE1-CE1 4.45Å; F104-F173 HydrophobicContact CE1-CE2 4.24Å; F104-F173 AromaticContact CE1-CZ 3.62Å; F104-F173 HydrophobicContact CE1-CZ 3.62Å; F104-F173 HydrophobicContact CE2-CD2 4.41Å; F104-F173 AromaticContact CE2-CE2 3.41Å; F104-F173 HydrophobicContact CE2-CE2 3.41Å; F104-F173 VanDerWaalsContact CE2-CE2 3.41Å; F104-F173 AromaticContact CE2-CZ 3.66Å; F104-F173 HydrophobicContact CE2-CZ 3.66Å; F104-F173 HydrophobicContact CZ-CD2 4.37Å; F104-F173 AromaticContact CZ-CE1 3.9Å; F104-F173 HydrophobicContact CZ-CE1 3.9Å; F104-F173 AromaticContact CZ-CE2 3.28Å; F104-F173 HydrophobicContact CZ-CE2 3.28Å; F104-F173 AromaticContact CZ-CZ 2.99Å; F104-F173 HydrophobicContact CZ-CZ 2.99Å
105	I	70.8	Confident	68.9	Low	1 Å²	1	65.6 Å²	65.6	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-56.8	-47.1	179.9	-77.9	166	0	0	0	111.3	I68 I70 S101 C102 E107 Q108 V109 T139 I141	I68-I105 HydrophobicContact CG2-CD1 4.42Å; I70-I105 HydrophobicContact CD1-CG1 4.44Å; I70-I105 HydrophobicContact CG2-CD1 4.42Å; S101-I105 WeakPolarHBondContact O-CG1 3.15Å; S101-I105 PolarHBondContact O-N 2.89Å; C102-I105 PolarHBondContact O-N 3.12Å; I105-E107 VanDerWaalsContact C-N 3.34Å; I105-E107 PolarHBondContact O-N 3.31Å; I105-Q108 WeakPolarHBondContact O-CB 3.38Å; I105-Q108 PolarHBondContact O-N 3.5Å; I105-V109 HydrophobicContact CG2-CG2 4.48Å; I105-V109 WeakPolarHBondContact O-CG2 3.2Å; I105-V109 PolarHBondContact O-N 3.14Å; I105-T139 HydrophobicContact CD1-CG2 3.61Å; I105-I141 HydrophobicContact CG2-CD1 3.17Å; I105-I141 HydrophobicContact CG2-CG1 3.75Å
106	M	71.6	Confident	68.3	Low	40 Å²	40	66.1 Å²	66.1	20%	0.197	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-37.8	-177.8	-71.7	-56.9	-60.6	0	0	112.7	C102 K103 F104 Q108 V109 T110 P120 C122	C102-M106 WeakPolarHBondContact O-CB 3.18Å; C102-M106 WeakPolarHBondContact O-CG 3.29Å; C102-M106 PolarHBondContact O-N 2.83Å; K103-M106 PolarHBondContact O-N 3.11Å; F104-M106 VanDerWaalsContact C-N 3.31Å; F104-M106 PolarHBondContact O-N 2.04Å; M106-Q108 PolarHBondContact O-N 3.4Å; M106-V109 PolarHBondContact O-N 2.84Å; M106-V109 HydrophobicContact SD-CG2 4.28Å; M106-T110 VanDerWaalsContact CE-OG1 3.31Å; M106-T110 WeakPolarHBondContact CE-OG1 3.38Å; M106-T110 WeakPolarHBondContact O-CB 3.09Å; M106-T110 PolarHBondContact O-N 2.89Å; M106-T110 PolarHBondContact O-OG1 3.45Å; M106-P120 HydrophobicContact CE-CB 4.19Å; M106-P120 HydrophobicContact CE-CG 3.66Å; M106-P120 WeakPolarHBondContact CE-O 3.06Å; M106-P120 HydrophobicContact SD-CB 3.98Å; M106-P120 HydrophobicContact SD-CG 3.74Å; M106-C122 HydrophobicContact CG-CB 3.9Å; M106-C122 HydrophobicContact SD-CB 3.9Å
107	E	69.3	Low	67.2	Low	88 Å²	88	66 Å²	66	41%	0.411	31%	0.31	S	S	.	.	H	α-helix	trans	-63.9	-29.2	173.4	-75.4	170.8	175.7	0	0	112.4	K103 F104 I105	K103-E107 WeakPolarHBondContact CE-OE1 3.39Å; K103-E107 WeakPolarHBondContact CG-OE1 3.48Å; K103-E107 IonicContact NZ-OE1 3.92Å; K103-E107 WeakPolarHBondContact O-CB 3.33Å; K103-E107 VanDerWaalsContact O-CG 3.29Å; K103-E107 WeakPolarHBondContact O-CG 3.22Å; K103-E107 PolarHBondContact O-N 3.37Å; F104-E107 PolarHBondContact O-N 3.17Å; I105-E107 VanDerWaalsContact C-N 3.34Å; I105-E107 PolarHBondContact O-N 3.31Å
108	Q	68.3	Low	66.2	Low	2 Å²	2	67.3 Å²	67.3	1%	0.009	32%	0.316	C	S	.	.	H	α-helix	trans	-84.2	-34.4	178.7	-60.5	-57.4	-50.2	0	0	113.2	F104 I105 M106 L160 N163	F104-Q108 HydrophobicContact CE1-CG 4.06Å; F104-Q108 HydrophobicContact CE2-CG 4.12Å; F104-Q108 HydrophobicContact CZ-CG 3.73Å; F104-Q108 WeakPolarHBondContact O-CG 3.38Å; F104-Q108 PolarHBondContact O-N 2.93Å; I105-Q108 WeakPolarHBondContact O-CB 3.38Å; I105-Q108 PolarHBondContact O-N 3.5Å; M106-Q108 PolarHBondContact O-N 3.4Å; Q108-L160 HydrophobicContact CB-CD2 3.46Å; Q108-L160 VanDerWaalsContact CB-CD2 3.46Å; Q108-L160 HydrophobicContact CG-CD2 4.13Å; Q108-N163 PolarHBondContact O-ND2 2.82Å; Q108-N163 PolarHBondContact OE1-O 3.43Å
109	V	67.4	Low	65.9	Low	9 Å²	9	72.4 Å²	72.4	6%	0.055	34%	0.335	C	S	.	.	H	α-helix	trans	-98.1	-17.8	-173.9	-56.1	0	0	0	0	113.8	I105 M106 P120 I141 L156 L160	I105-V109 HydrophobicContact CG2-CG2 4.48Å; I105-V109 WeakPolarHBondContact O-CG2 3.2Å; I105-V109 PolarHBondContact O-N 3.14Å; M106-V109 PolarHBondContact O-N 2.84Å; M106-V109 HydrophobicContact SD-CG2 4.28Å; V109-P120 HydrophobicContact CG2-CG 3.45Å; V109-P120 VanDerWaalsContact CG2-CG 3.45Å; V109-I141 HydrophobicContact CG1-CD1 4.26Å; V109-L156 HydrophobicContact CG1-CD1 3.48Å; V109-L156 VanDerWaalsContact CG1-CD1 3.48Å; V109-L160 HydrophobicContact CG1-CD2 3.86Å
110	T	67	Low	65.7	Low	33 Å²	33	65.6 Å²	65.6	20%	0.202	31%	0.306	C	S	.	.			trans	-98.8	127.1	-179.5	-45.4	0	0	0	0	109.9	M106 M114 R119	M106-T110 VanDerWaalsContact CE-OG1 3.31Å; M106-T110 WeakPolarHBondContact CE-OG1 3.38Å; M106-T110 WeakPolarHBondContact O-CB 3.09Å; M106-T110 PolarHBondContact O-N 2.89Å; M106-T110 PolarHBondContact O-OG1 3.45Å; T110-M114 HydrophobicContact CG2-CB 4.26Å; T110-M114 HydrophobicContact CG2-SD 4.05Å; T110-R119 HydrophobicContact CG2-CG 3.9Å
111	T	66.8	Low	65.6	Low	75 Å²	75	67 Å²	67	46%	0.46	32%	0.315	S	S	.	.			trans	-97.5	152.7	170.2	65.9	0	0	0	0	110.2	K113 M114	T111-K113 PolarHBondContact O-N 3.24Å; T111-K113 VanDerWaalsContact O-N 3.11Å; T111-M114 WeakPolarHBondContact O-CB 3.4Å; T111-M114 PolarHBondContact O-N 2.91Å
112	E	63.4	Low	65.5	Low	196 Å²	196	67.9 Å²	67.9	92%	0.916	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-28	176	-68.2	-176	165.4	0	0	112.9	M114	E112-M114 VanDerWaalsContact C-N 3.27Å; E112-M114 PolarHBondContact O-N 2.03Å
113	K	64.7	Low	65.3	Low	199 Å²	199	67.9 Å²	67.9	87%	0.865	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-9.9	177.6	-62.2	-175.6	-179.1	-179.7	0	113.3	T111 P115	T111-K113 PolarHBondContact O-N 3.24Å; T111-K113 VanDerWaalsContact O-N 3.11Å; K113-P115 WeakPolarHBondContact O-CD 3.26Å
114	M	64.2	Low	65.1	Low	37 Å²	37	62 Å²	62	18%	0.182	30%	0.297	C	S	.	.	S	Bend	trans	-74.1	119.3	-177.1	-170.7	174.1	-96.9	0	0	110.3	T110 T111 E112 E118 R119	T110-M114 HydrophobicContact CG2-CB 4.26Å; T110-M114 HydrophobicContact CG2-SD 4.05Å; T111-M114 WeakPolarHBondContact O-CB 3.4Å; T111-M114 PolarHBondContact O-N 2.91Å; E112-M114 VanDerWaalsContact C-N 3.27Å; E112-M114 PolarHBondContact O-N 2.03Å; M114-E118 HydrophobicContact CG-CB 3.79Å; M114-E118 HydrophobicContact SD-CB 4.45Å; M114-E118 VanDerWaalsContact SD-O 3.35Å; M114-R119 HydrophobicContact CG-CG 4.26Å; M114-R119 HydrophobicContact SD-CG 4.31Å
115	P	55.9	Low	64.9	Low	42 Å²	42	62.5 Å²	62.5	27%	0.273	30%	0.303	S	S	.	.			trans	-58.2	148	175.6	-19.1	29.9	0	0	0	111.5	K113 Y117 E118 R119	K113-P115 WeakPolarHBondContact O-CD 3.26Å; P115-Y117 HydrophobicContact CB-CD1 3.6Å; P115-Y117 HydrophobicContact CB-CE1 3.13Å; P115-Y117 HydrophobicContact CB-CE2 4.14Å; P115-Y117 HydrophobicContact CB-CG 4.32Å; P115-Y117 VanDerWaalsContact CB-CZ 3.41Å; P115-Y117 HydrophobicContact CG-CE1 4.01Å; P115-Y117 HydrophobicContact CG-CE2 4.47Å; P115-Y117 PolarHBondContact O-N 2.61Å; P115-E118 HydrophobicContact CB-CG 4.33Å; P115-E118 WeakPolarHBondContact CD-OE2 3.16Å; P115-E118 HydrophobicContact CG-CG 4.22Å; P115-E118 PolarHBondContact O-N 3.19Å; P115-R119 PolarHBondContact O-N 3.07Å
116	Q	58.9	Low	65	Low	146 Å²	146	67.7 Å²	67.7	68%	0.682	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-55.5	-31	-174.6	-167.4	-178.7	1.5	0	0	113.8	R119	Q116-R119 PolarHBondContact O-N 3.37Å
117	Y	50.3	Low	65.1	Low	86 Å²	86	68.3 Å²	68.3	34%	0.337	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-81.3	-11.2	178.4	59.4	-88.1	0	0	0	114.7	P115 Y223	P115-Y117 HydrophobicContact CB-CD1 3.6Å; P115-Y117 HydrophobicContact CB-CE1 3.13Å; P115-Y117 HydrophobicContact CB-CE2 4.14Å; P115-Y117 HydrophobicContact CB-CG 4.32Å; P115-Y117 VanDerWaalsContact CB-CZ 3.41Å; P115-Y117 HydrophobicContact CG-CE1 4.01Å; P115-Y117 HydrophobicContact CG-CE2 4.47Å; P115-Y117 PolarHBondContact O-N 2.61Å; Y117-Y223 HydrophobicContact CD1-CD2 4.33Å; Y117-Y223 AromaticContact CD1-CE1 3.81Å; Y117-Y223 HydrophobicContact CD1-CE1 3.81Å; Y117-Y223 AromaticContact CD1-CE2 3.5Å; Y117-Y223 HydrophobicContact CD1-CE2 3.5Å; Y117-Y223 AromaticContact CD1-CZ 3.21Å; Y117-Y223 WeakPolarHBondContact CD1-OH 3.39Å; Y117-Y223 AromaticContact CE1-CE2 3.9Å; Y117-Y223 HydrophobicContact CE1-CE2 3.9Å; Y117-Y223 AromaticContact CE1-CZ 3.97Å; Y117-Y223 HydrophobicContact CG-CD1 4.43Å; Y117-Y223 HydrophobicContact CG-CE1 4.05Å; Y117-Y223 HydrophobicContact CG-CE2 4.12Å; Y117-Y223 AromaticContact CG-CZ 3.88Å
118	E	56.8	Low	65.4	Low	35 Å²	35	66.9 Å²	66.9	16%	0.164	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-97.4	-6.1	173.3	-58.4	-172.2	169.6	0	0	111	M114 P115 K147	M114-E118 HydrophobicContact CG-CB 3.79Å; M114-E118 HydrophobicContact SD-CB 4.45Å; M114-E118 VanDerWaalsContact SD-O 3.35Å; P115-E118 HydrophobicContact CB-CG 4.33Å; P115-E118 WeakPolarHBondContact CD-OE2 3.16Å; P115-E118 HydrophobicContact CG-CG 4.22Å; P115-E118 PolarHBondContact O-N 3.19Å; E118-K147 IonicContact OE1-NZ 3.22Å; E118-K147 PolarHBondContact OE1-NZ 2.94Å
119	R	63.5	Low	65.6	Low	110 Å²	110	70.4 Å²	70.4	42%	0.415	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-69.3	133.2	-179.6	-65.6	-173.3	-176.4	176.1	-1.2	110.2	T110 M114 P115 Q116	T110-R119 HydrophobicContact CG2-CG 3.9Å; M114-R119 HydrophobicContact CG-CG 4.26Å; M114-R119 HydrophobicContact SD-CG 4.31Å; P115-R119 PolarHBondContact O-N 3.07Å; Q116-R119 PolarHBondContact O-N 3.37Å
120	P	67.7	Low	65.4	Low	7 Å²	7	71.9 Å²	71.9	5%	0.045	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-66.2	156.9	173.9	15.1	-18	0	0	0	112.1	M106 V109 I141 V142 Y143	M106-P120 HydrophobicContact CE-CB 4.19Å; M106-P120 HydrophobicContact CE-CG 3.66Å; M106-P120 WeakPolarHBondContact CE-O 3.06Å; M106-P120 HydrophobicContact SD-CB 3.98Å; M106-P120 HydrophobicContact SD-CG 3.74Å; V109-P120 HydrophobicContact CG2-CG 3.45Å; V109-P120 VanDerWaalsContact CG2-CG 3.45Å; P120-I141 HydrophobicContact CB-CG2 3.25Å; P120-I141 HydrophobicContact CG-CG2 4.11Å; P120-V142 CarbonylContact C-O 3.49Å; P120-V142 VanDerWaalsContact CA-O 3.27Å; P120-V142 WeakPolarHBondContact CA-O 3.29Å; P120-Y143 HydrophobicContact CB-CD1 3.73Å; P120-Y143 HydrophobicContact CB-CD2 4.16Å; P120-Y143 HydrophobicContact CB-CE1 3.63Å; P120-Y143 HydrophobicContact CB-CE2 4.06Å; P120-Y143 HydrophobicContact CB-CG 4Å; P120-Y143 HydrophobicContact CG-CD1 4Å; P120-Y143 HydrophobicContact CG-CE1 3.45Å; P120-Y143 VanDerWaalsContact CG-CE1 3.45Å; P120-Y143 HydrophobicContact CG-CE2 4.45Å
121	H	67.4	Low	64.9	Low	105 Å²	105	78.2 Å²	78.2	49%	0.486	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	142	161.1	-68.8	-76.7	0	0	0	108.4	I141 V142 D144	H121-I141 CarbonylContact O-C 3.59Å; H121-I141 VanDerWaalsContact O-CA 3.29Å; H121-I141 WeakPolarHBondContact O-CA 3.05Å; H121-V142 HydrophobicContact CB-CB 4.28Å; H121-V142 PolarHBondContact N-O 3.48Å; H121-V142 PolarHBondContact O-N 2.78Å; H121-D144 IonicContact CD2-OD1 2.85Å; H121-D144 PolarHBondContact CD2-OD1 3.4Å; H121-D144 IonicContact CD2-OD2 3.89Å; H121-D144 IonicContact NE2-OD2 3.49Å; H121-D144 PolarHBondContact NE2-OD2 2.98Å
122	C	68.9	Low	64.6	Low	32 Å²	32	81.5 Å²	81.5	22%	0.216	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.1	178.3	177.1	0	0	0	0	109.9	C102 M106 T139 D140	C102-C122 WeakPolarHBondContact CA-SG 3.03Å; C102-C122 HydrophobicContact CB-CB 3.61Å; C102-C122 WeakPolarHBondContact CB-SG 3.05Å; C102-C122 WeakPolarHBondContact SG-CB 3.4Å; C102-C122 PolarHBondContact SG-O 2.88Å; C102-C122 VanDerWaalsContact SG-O 3.41Å; C102-C122 CovalentContact SG-SG 2.04Å; C102-C122 PolarHBondContact SG-SG 3.04Å; M106-C122 HydrophobicContact CG-CB 3.9Å; M106-C122 HydrophobicContact SD-CB 3.9Å; C122-T139 WeakPolarHBondContact SG-CG2 3.07Å; C122-D140 WeakPolarHBondContact CA-O 3.37Å
123	S	67.3	Low	64.9	Low	15 Å²	15	78.9 Å²	78.9	11%	0.105	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	133.9	176.7	-171.8	0	0	0	0	110.6	H34 C102 T139 D140	H34-S123 PolarHBondContact CE1-OG 3.03Å; H34-S123 PolarHBondContact NE2-OG 3.47Å; C102-S123 PolarHBondContact SG-N 3.45Å; S123-T139 CarbonylContact O-C 3.48Å; S123-T139 WeakPolarHBondContact O-CA 2.98Å; S123-T139 WeakPolarHBondContact O-CG2 3.32Å; S123-D140 PolarHBondContact N-O 3.34Å; S123-D140 PolarHBondContact O-N 3.01Å
124	V	67.4	Low	65	Low	7 Å²	7	70.1 Å²	70.1	4%	0.042	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.4	171.9	175.9	0	0	0	0	109	A98 Y127 A137 T139	A98-V124 HydrophobicContact CB-CB 3.7Å; A98-V124 HydrophobicContact CB-CG2 3.67Å; V124-Y127 HydrophobicContact CG1-CD1 4.31Å; V124-Y127 HydrophobicContact CG1-CE1 3.74Å; V124-Y127 HydrophobicContact CG1-CE2 4.49Å; V124-A137 HydrophobicContact CG1-CB 4.2Å; V124-T139 HydrophobicContact CG2-CG2 4.33Å
125	V	65.7	Low	65.6	Low	48 Å²	48	68.7 Å²	68.7	29%	0.291	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-46.8	-177.1	-178	0	0	0	0	110.7	F32 V138 D140	F32-V125 HydrophobicContact CD1-CG1 3.92Å; F32-V125 HydrophobicContact CD2-CG1 3.98Å; F32-V125 HydrophobicContact CE1-CG1 3.73Å; F32-V125 HydrophobicContact CE2-CG1 3.79Å; F32-V125 HydrophobicContact CG-CG1 4.05Å; F32-V125 HydrophobicContact CZ-CG1 3.67Å; V125-V138 HydrophobicContact CB-CG1 4.34Å; V125-V138 PolarHBondContact N-O 2.8Å; V125-D140 HydrophobicContact CG2-CB 3.89Å
126	K	72	Confident	66	Low	109 Å²	109	67.9 Å²	67.9	47%	0.474	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	163.3	-179.7	59.3	172.9	169.1	170.5	0	112.7	I128 V138	K126-I128 HydrophobicContact CD-CD1 4.19Å; K126-I128 HydrophobicContact CD-CG1 4.12Å; K126-I128 HydrophobicContact CG-CG1 4.28Å; K126-V138 HydrophobicContact CG-CB 3.79Å; K126-V138 HydrophobicContact CG-CG2 3.86Å; K126-V138 PolarHBondContact N-O 2.03Å; K126-V138 PolarHBondContact O-N 3.39Å
127	Y	75.2	Confident	66.5	Low	53 Å²	53	60.9 Å²	60.9	21%	0.208	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.6	170.4	-54.8	-72.3	0	0	0	109.9	M72 F85 F97 A98 V124 F136 A137	M72-Y127 HydrophobicContact CE-CD1 3.89Å; M72-Y127 HydrophobicContact CE-CE1 3.74Å; M72-Y127 HydrophobicContact SD-CD1 3.5Å; M72-Y127 VanDerWaalsContact SD-CD1 3.5Å; M72-Y127 HydrophobicContact SD-CE1 3.93Å; F85-Y127 AromaticContact CE2-CD1 3.93Å; F85-Y127 HydrophobicContact CE2-CD1 3.93Å; F85-Y127 AromaticContact CE2-CD2 3.91Å; F85-Y127 HydrophobicContact CE2-CD2 3.91Å; F85-Y127 HydrophobicContact CE2-CE1 4.35Å; F85-Y127 HydrophobicContact CE2-CE2 4.34Å; F85-Y127 AromaticContact CE2-CG 3.67Å; F85-Y127 HydrophobicContact CE2-CG 3.67Å; F85-Y127 HydrophobicContact CZ-CD1 4.34Å; F85-Y127 AromaticContact CZ-CD2 3.62Å; F85-Y127 HydrophobicContact CZ-CD2 3.62Å; F85-Y127 HydrophobicContact CZ-CE2 4.33Å; F85-Y127 AromaticContact CZ-CG 3.62Å; F85-Y127 HydrophobicContact CZ-CG 3.62Å; F97-Y127 HydrophobicContact CB-CE1 3.96Å; A98-Y127 PolarHBondContact N-OH 2.94Å; V124-Y127 HydrophobicContact CG1-CD1 4.31Å; V124-Y127 HydrophobicContact CG1-CE1 3.74Å; V124-Y127 HydrophobicContact CG1-CE2 4.49Å; Y127-F136 CarbonylContact C-O 3.51Å; Y127-F136 VanDerWaalsContact CA-O 3.28Å; Y127-F136 WeakPolarHBondContact CA-O 3.38Å; Y127-A137 HydrophobicContact CD1-CB 4.12Å; Y127-A137 HydrophobicContact CE1-CB 4.17Å
128	I	74.5	Confident	67.2	Low	58 Å²	58	57.6 Å²	57.6	30%	0.297	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	125.6	-178.9	-53.1	178.5	0	0	0	108.6	L69 K126 F136 V138	L69-I128 HydrophobicContact CD1-CD1 4.47Å; K126-I128 HydrophobicContact CD-CD1 4.19Å; K126-I128 HydrophobicContact CD-CG1 4.12Å; K126-I128 HydrophobicContact CG-CG1 4.28Å; I128-F136 PolarHBondContact N-O 2.71Å; I128-F136 PolarHBondContact O-N 2.64Å; I128-V138 HydrophobicContact CD1-CG2 3.53Å; I128-V138 HydrophobicContact CG1-CG2 4.11Å
129	P	72.1	Confident	67.7	Low	77 Å²	77	56 Å²	56	50%	0.5	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	140.7	168.1	31.6	-33.9	0	0	0	110.4	V82 M135	V82-P129 HydrophobicContact CG2-CB 3.74Å; P129-M135 HydrophobicContact CB-SD 3.85Å
130	S	64.2	Low	67.8	Low	40 Å²	40	51.5 Å²	51.5	28%	0.28	27%	0.266	S	S	.	.			trans	-90.3	164.4	168.9	174.1	0	0	0	0	111.1	Q132 E133 T134	S130-Q132 PolarHBondContact O-N 2.71Å; S130-Q132 VanDerWaalsContact O-N 3.13Å; S130-Q132 PolarHBondContact OG-N 2.75Å; S130-E133 PolarHBondContact O-N 3.26Å; S130-E133 VanDerWaalsContact O-N 3.1Å; S130-T134 WeakPolarHBondContact CB-O 3.49Å; S130-T134 PolarHBondContact N-O 2.98Å
131	D	56.7	Low	67.8	Low	165 Å²	165	51.2 Å²	51.2	88%	0.882	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.5	173.5	-57.4	-20.3	0	0	0	112.6	E133	D131-E133 VanDerWaalsContact C-N 3.31Å
132	Q	59.3	Low	67.6	Low	144 Å²	144	47 Å²	47	67%	0.673	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	16.5	176.8	-63.8	-173.8	-8.1	0	0	113.8	S130 T134	S130-Q132 PolarHBondContact O-N 2.71Å; S130-Q132 VanDerWaalsContact O-N 3.13Å; S130-Q132 PolarHBondContact OG-N 2.75Å; Q132-T134 PolarHBondContact O-N 3.29Å; Q132-T134 VanDerWaalsContact O-N 3.09Å
133	E	69.4	Low	67.3	Low	141 Å²	141	45.5 Å²	45.5	66%	0.659	24%	0.236	S	C	*	.	S	Bend	trans	57.2	20.6	-173.5	-55.4	-171.9	159.3	0	0	114.1	S81 V82 S130 D131	S81-E133 CarbonylContact C-O 3.57Å; S81-E133 WeakPolarHBondContact CA-O 3.4Å; V82-E133 HydrophobicContact CG2-CB 4.41Å; V82-E133 WeakPolarHBondContact CG2-O 3.22Å; V82-E133 PolarHBondContact N-O 2.76Å; S130-E133 PolarHBondContact O-N 3.26Å; S130-E133 VanDerWaalsContact O-N 3.1Å; D131-E133 VanDerWaalsContact C-N 3.31Å
134	T	66.8	Low	66.7	Low	15 Å²	15	47.4 Å²	47.4	9%	0.092	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-97	145.9	173.9	54.8	0	0	0	0	111	P79 L80 S130 Q132 F136	P79-T134 HydrophobicContact CB-CG2 3.63Å; L80-T134 CarbonylContact O-C 3.4Å; L80-T134 WeakPolarHBondContact O-CA 3.31Å; S130-T134 WeakPolarHBondContact CB-O 3.49Å; S130-T134 PolarHBondContact N-O 2.98Å; Q132-T134 PolarHBondContact O-N 3.29Å; Q132-T134 VanDerWaalsContact O-N 3.09Å; T134-F136 WeakPolarHBondContact OG1-CE2 3.07Å
135	M	76.9	Confident	66	Low	7 Å²	7	48 Å²	48	3%	0.034	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	135.6	179.6	-70.5	-59.9	-61.3	0	0	111.7	M72 L80 V82 F85 P129	M72-M135 HydrophobicContact CB-CB 4.43Å; M72-M135 VanDerWaalsContact CB-O 3.28Å; M72-M135 WeakPolarHBondContact CB-O 3.46Å; M72-M135 HydrophobicContact CG-CB 4.48Å; M72-M135 WeakPolarHBondContact CG-O 3.39Å; M72-M135 PolarHBondContact N-O 2.94Å; M72-M135 HydrophobicContact SD-CB 3.76Å; L80-M135 HydrophobicContact CD2-CB 4.26Å; L80-M135 HydrophobicContact CG-CB 4.49Å; L80-M135 PolarHBondContact O-N 3.23Å; V82-M135 HydrophobicContact CB-SD 4.36Å; V82-M135 HydrophobicContact CG2-CG 4.24Å; V82-M135 HydrophobicContact CG2-SD 3.66Å; F85-M135 HydrophobicContact CB-CG 3.58Å; F85-M135 HydrophobicContact CB-SD 4.44Å; F85-M135 HydrophobicContact CD1-CE 3.72Å; F85-M135 HydrophobicContact CD1-CG 4.32Å; F85-M135 HydrophobicContact CD1-SD 4.2Å; F85-M135 HydrophobicContact CD2-CE 4.09Å; F85-M135 HydrophobicContact CD2-CG 4.17Å; F85-M135 HydrophobicContact CE1-CE 3.68Å; F85-M135 HydrophobicContact CE2-CE 4.06Å; F85-M135 HydrophobicContact CG-CE 3.92Å; F85-M135 HydrophobicContact CG-CG 3.78Å; F85-M135 HydrophobicContact CG-SD 4.26Å; F85-M135 HydrophobicContact CZ-CE 3.85Å; P129-M135 HydrophobicContact CB-SD 3.85Å
136	F	66	Low	65.2	Low	25 Å²	25	48 Å²	48	11%	0.11	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.5	174	-72.1	-99.1	0	0	0	110.5	L69 I70 E71 Y127 I128 T134 H177	L69-F136 HydrophobicContact CD1-CB 3.74Å; L69-F136 HydrophobicContact CD1-CD1 4.3Å; L69-F136 HydrophobicContact CD1-CG 4.35Å; L69-F136 HydrophobicContact CD2-CD1 4.18Å; L69-F136 HydrophobicContact CG-CB 4.25Å; L69-F136 HydrophobicContact CG-CD1 3.86Å; L69-F136 HydrophobicContact CG-CG 4.39Å; I70-F136 CarbonylContact O-C 3.42Å; I70-F136 VanDerWaalsContact O-CA 3.31Å; I70-F136 WeakPolarHBondContact O-CA 3.24Å; E71-F136 HydrophobicContact CB-CD1 4.1Å; E71-F136 HydrophobicContact CB-CE1 3.66Å; E71-F136 HydrophobicContact CB-CZ 4.02Å; E71-F136 HydrophobicContact CG-CE1 4.28Å; E71-F136 HydrophobicContact CG-CZ 4.14Å; Y127-F136 CarbonylContact C-O 3.51Å; Y127-F136 VanDerWaalsContact CA-O 3.28Å; Y127-F136 WeakPolarHBondContact CA-O 3.38Å; I128-F136 PolarHBondContact N-O 2.71Å; I128-F136 PolarHBondContact O-N 2.64Å; T134-F136 WeakPolarHBondContact OG1-CE2 3.07Å; F136-H177 HydrophobicContact CE1-CB 3.76Å; F136-H177 HydrophobicContact CZ-CB 4.13Å
137	A	67.9	Low	63.9	Low	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.3	169.4	0	0	0	0	0	109.7	L69 I70 M72 V124 Y127	L69-A137 WeakPolarHBondContact CA-O 3.4Å; I70-A137 HydrophobicContact CG2-CB 3.95Å; I70-A137 PolarHBondContact N-O 3.49Å; I70-A137 PolarHBondContact O-N 3.48Å; M72-A137 HydrophobicContact CG-CB 3.93Å; M72-A137 HydrophobicContact SD-CB 4.1Å; V124-A137 HydrophobicContact CG1-CB 4.2Å; Y127-A137 HydrophobicContact CD1-CB 4.12Å; Y127-A137 HydrophobicContact CE1-CB 4.17Å
138	V	66.3	Low	62.5	Low	17 Å²	17	46.3 Å²	46.3	10%	0.103	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116.4	165.7	-179.5	0	0	0	0	107.5	I68 L69 V125 K126 I128 L181	I68-V138 WeakPolarHBondContact O-CA 3.5Å; L69-V138 HydrophobicContact CD1-CG2 3.64Å; V125-V138 HydrophobicContact CB-CG1 4.34Å; V125-V138 PolarHBondContact N-O 2.8Å; K126-V138 HydrophobicContact CG-CB 3.79Å; K126-V138 HydrophobicContact CG-CG2 3.86Å; K126-V138 PolarHBondContact N-O 2.03Å; K126-V138 PolarHBondContact O-N 3.39Å; I128-V138 HydrophobicContact CD1-CG2 3.53Å; I128-V138 HydrophobicContact CG1-CG2 4.11Å; V138-L181 HydrophobicContact CG1-CD1 4.49Å
139	T	67.6	Low	61.2	Low	1 Å²	1	45.6 Å²	45.6	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.6	-175.1	-49.7	0	0	0	0	109.7	G67 I68 I105 C122 S123 V124	G67-T139 CarbonylContact C-O 3.55Å; G67-T139 WeakPolarHBondContact CA-O 3.28Å; I68-T139 PolarHBondContact N-O 2.72Å; I68-T139 PolarHBondContact O-N 3.5Å; I105-T139 HydrophobicContact CD1-CG2 3.61Å; C122-T139 WeakPolarHBondContact SG-CG2 3.07Å; S123-T139 CarbonylContact O-C 3.48Å; S123-T139 WeakPolarHBondContact O-CA 2.98Å; S123-T139 WeakPolarHBondContact O-CG2 3.32Å; V124-T139 HydrophobicContact CG2-CG2 4.33Å
140	D	65.1	Low	59.9	Low	16 Å²	16	45.9 Å²	45.9	9%	0.086	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.9	169.1	-172.7	20.2	0	0	0	109.1	H65 F66 C122 S123 V125 V142	H65-D140 WeakPolarHBondContact CB-OD1 3.33Å; H65-D140 IonicContact CE1-OD2 3.53Å; H65-D140 IonicContact CG-OD1 3.11Å; H65-D140 IonicContact CG-OD2 3.81Å; H65-D140 IonicContact ND1-OD1 2.83Å; H65-D140 PolarHBondContact ND1-OD1 3.04Å; H65-D140 IonicContact ND1-OD2 2.68Å; H65-D140 PolarHBondContact ND1-OD2 2.67Å; F66-D140 WeakPolarHBondContact O-CA 3.32Å; C122-D140 WeakPolarHBondContact CA-O 3.37Å; S123-D140 PolarHBondContact N-O 3.34Å; S123-D140 PolarHBondContact O-N 3.01Å; V125-D140 HydrophobicContact CG2-CB 3.89Å; D140-V142 WeakPolarHBondContact OD2-CG2 3.37Å
141	I	67.9	Low	59.4	Low	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.7	167	-52.2	-174.2	0	0	0	108.6	H65 F66 I68 I105 V109 P120 H121 Y143	H65-I141 CarbonylContact C-O 3.48Å; H65-I141 WeakPolarHBondContact CA-O 3.34Å; F66-I141 HydrophobicContact CB-CB 4.26Å; F66-I141 PolarHBondContact N-O 3.38Å; F66-I141 PolarHBondContact O-N 3.44Å; I68-I141 HydrophobicContact CD1-CD1 3.33Å; I68-I141 HydrophobicContact CD1-CG1 3.91Å; I68-I141 HydrophobicContact CG1-CD1 4.29Å; I68-I141 HydrophobicContact CG1-CG1 4.4Å; I105-I141 HydrophobicContact CG2-CD1 3.17Å; I105-I141 HydrophobicContact CG2-CG1 3.75Å; V109-I141 HydrophobicContact CG1-CD1 4.26Å; P120-I141 HydrophobicContact CB-CG2 3.25Å; P120-I141 HydrophobicContact CG-CG2 4.11Å; H121-I141 CarbonylContact O-C 3.59Å; H121-I141 VanDerWaalsContact O-CA 3.29Å; H121-I141 WeakPolarHBondContact O-CA 3.05Å; I141-Y143 HydrophobicContact CB-CE2 4.46Å; I141-Y143 HydrophobicContact CG2-CD2 3.95Å; I141-Y143 HydrophobicContact CG2-CE2 3.54Å
142	V	63.3	Low	59.3	Low	16 Å²	16	39.8 Å²	39.8	10%	0.097	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.6	177.5	-168.4	0	0	0	0	109.1	Y63 T64 H65 P120 H121 D140	Y63-V142 HydrophobicContact CD1-CG1 3.57Å; Y63-V142 HydrophobicContact CE1-CG1 4.45Å; Y63-V142 HydrophobicContact CG-CG1 3.9Å; T64-V142 CarbonylContact O-C 3.46Å; T64-V142 WeakPolarHBondContact O-CA 3.37Å; H65-V142 WeakPolarHBondContact ND1-CG2 3.09Å; P120-V142 CarbonylContact C-O 3.49Å; P120-V142 VanDerWaalsContact CA-O 3.27Å; P120-V142 WeakPolarHBondContact CA-O 3.29Å; H121-V142 HydrophobicContact CB-CB 4.28Å; H121-V142 PolarHBondContact N-O 3.48Å; H121-V142 PolarHBondContact O-N 2.78Å; D140-V142 WeakPolarHBondContact OD2-CG2 3.37Å
143	Y	62.2	Low	59.3	Low	2 Å²	2	35.6 Å²	35.6	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.7	170.3	-68.1	-102.7	0	0	0	111.5	Y63 T64 F66 P120 I141 S145 A148 L151	Y63-Y143 WeakPolarHBondContact CA-O 3.18Å; T64-Y143 PolarHBondContact N-O 3.19Å; T64-Y143 VanDerWaalsContact N-O 3.08Å; T64-Y143 PolarHBondContact O-N 3.01Å; F66-Y143 AromaticContact CD2-CD2 3.81Å; F66-Y143 HydrophobicContact CD2-CD2 3.81Å; F66-Y143 AromaticContact CD2-CE2 3.64Å; F66-Y143 HydrophobicContact CD2-CE2 3.64Å; F66-Y143 AromaticContact CE2-CD2 3.71Å; F66-Y143 HydrophobicContact CE2-CD2 3.71Å; F66-Y143 AromaticContact CE2-CE2 3.65Å; F66-Y143 HydrophobicContact CE2-CE2 3.65Å; P120-Y143 HydrophobicContact CB-CD1 3.73Å; P120-Y143 HydrophobicContact CB-CD2 4.16Å; P120-Y143 HydrophobicContact CB-CE1 3.63Å; P120-Y143 HydrophobicContact CB-CE2 4.06Å; P120-Y143 HydrophobicContact CB-CG 4Å; P120-Y143 HydrophobicContact CG-CD1 4Å; P120-Y143 HydrophobicContact CG-CE1 3.45Å; P120-Y143 VanDerWaalsContact CG-CE1 3.45Å; P120-Y143 HydrophobicContact CG-CE2 4.45Å; I141-Y143 HydrophobicContact CB-CE2 4.46Å; I141-Y143 HydrophobicContact CG2-CD2 3.95Å; I141-Y143 HydrophobicContact CG2-CE2 3.54Å; Y143-S145 VanDerWaalsContact C-N 3.26Å; Y143-S145 PolarHBondContact O-N 2.86Å; Y143-A148 HydrophobicContact CD1-CB 3.33Å; Y143-A148 HydrophobicContact CD2-CB 3.96Å; Y143-A148 HydrophobicContact CE1-CB 4.2Å; Y143-A148 HydrophobicContact CG-CB 3.19Å; Y143-L151 HydrophobicContact CE1-CD1 4.12Å; Y143-L151 HydrophobicContact CE2-CD1 4.31Å; Y143-L151 WeakPolarHBondContact OH-CD2 3.4Å
144	D	53.8	Low	58.8	Low	55 Å²	55	36.7 Å²	36.7	29%	0.294	19%	0.19	S	C	.	.			trans	-84.8	7.6	-172.2	-72.2	12.6	0	0	0	114.1	L62 Y63 H121	L62-D144 CarbonylContact O-C 3.5Å; Y63-D144 VanDerWaalsContact CD1-OD1 3.25Å; Y63-D144 WeakPolarHBondContact CD1-OD1 3.45Å; Y63-D144 HydrophobicContact CE1-CB 4.4Å; Y63-D144 WeakPolarHBondContact CE1-OD1 3.2Å; H121-D144 IonicContact CD2-OD1 2.85Å; H121-D144 PolarHBondContact CD2-OD1 3.4Å; H121-D144 IonicContact CD2-OD2 3.89Å; H121-D144 IonicContact NE2-OD2 3.49Å; H121-D144 PolarHBondContact NE2-OD2 2.98Å
145	S	52.4	Low	58.6	Low	20 Å²	20	39.3 Å²	39.3	14%	0.14	21%	0.205	C	C	.	.	S	Bend	trans	-130	146.1	-176.6	96.9	0	0	0	0	113.3	Y143 K147 A148	Y143-S145 VanDerWaalsContact C-N 3.26Å; Y143-S145 PolarHBondContact O-N 2.86Å; S145-K147 PolarHBondContact O-N 3.26Å; S145-K147 VanDerWaalsContact O-N 3.07Å; S145-K147 PolarHBondContact OG-N 2.82Å; S145-A148 WeakPolarHBondContact O-CB 3.48Å; S145-A148 PolarHBondContact O-N 3.28Å
146	I	49.4	Very low	58.1	Low	46 Å²	46	39 Å²	39	24%	0.236	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-56.3	-22.2	171.5	-54	179.7	0	0	0	111.2	L62 A148 T149	L62-I146 HydrophobicContact CB-CG1 3.94Å; L62-I146 HydrophobicContact CD1-CD1 3.4Å; L62-I146 HydrophobicContact CD1-CG1 3.47Å; L62-I146 VanDerWaalsContact CD1-CG1 3.47Å; L62-I146 HydrophobicContact CG-CG1 4.26Å; I146-A148 VanDerWaalsContact C-N 3.28Å; I146-A148 PolarHBondContact O-N 3.47Å; I146-T149 PolarHBondContact O-OG1 3.09Å
147	K	45.9	Very low	58	Low	124 Å²	124	40 Å²	40	54%	0.539	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-81.6	-4.6	176.1	-66.1	-174.5	-173.4	170.1	0	114.1	E118 S145 Q150	E118-K147 IonicContact OE1-NZ 3.22Å; E118-K147 PolarHBondContact OE1-NZ 2.94Å; S145-K147 PolarHBondContact O-N 3.26Å; S145-K147 VanDerWaalsContact O-N 3.07Å; S145-K147 PolarHBondContact OG-N 2.82Å; K147-Q150 WeakPolarHBondContact O-CB 3.11Å; K147-Q150 WeakPolarHBondContact O-CG 3.48Å
148	A	45.3	Very low	57.7	Low	4 Å²	4	41.6 Å²	41.6	3%	0.033	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-96	-1.2	175.1	0	0	0	0	0	114	Y143 S145 I146 Q150	Y143-A148 HydrophobicContact CD1-CB 3.33Å; Y143-A148 HydrophobicContact CD2-CB 3.96Å; Y143-A148 HydrophobicContact CE1-CB 4.2Å; Y143-A148 HydrophobicContact CG-CB 3.19Å; S145-A148 WeakPolarHBondContact O-CB 3.48Å; S145-A148 PolarHBondContact O-N 3.28Å; I146-A148 VanDerWaalsContact C-N 3.28Å; I146-A148 PolarHBondContact O-N 3.47Å; A148-Q150 PolarHBondContact O-N 3.06Å
149	T	45.7	Very low	57.5	Low	42 Å²	42	42.3 Å²	42.3	26%	0.258	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-61.5	-1	158.5	62.8	0	0	0	0	112.4	T64 I146 N207	T64-T149 VanDerWaalsContact OG1-CG2 3.26Å; T64-T149 WeakPolarHBondContact OG1-CG2 3.32Å; I146-T149 PolarHBondContact O-OG1 3.09Å; T149-N207 CarbonylContact C-O 3.58Å; T149-N207 VanDerWaalsContact O-O 3.11Å; T149-N207 PolarHBondContact OG1-O 2.74Å
150	Q	45.6	Very low	57.3	Low	84 Å²	84	42.8 Å²	42.8	39%	0.393	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-93.4	-3.4	-174.9	-51.2	-169.2	21.8	0	0	116.1	K147 A148 S152 N207	K147-Q150 WeakPolarHBondContact O-CB 3.11Å; K147-Q150 WeakPolarHBondContact O-CG 3.48Å; A148-Q150 PolarHBondContact O-N 3.06Å; Q150-S152 PolarHBondContact O-N 2.84Å; Q150-N207 HydrophobicContact CB-CB 3.66Å; Q150-N207 HydrophobicContact CG-CB 3.39Å; Q150-N207 PolarHBondContact OE1-ND2 2.87Å; Q150-N207 VanDerWaalsContact OE1-ND2 3.17Å
151	L	53	Low	57.3	Low	27 Å²	27	48.6 Å²	48.6	14%	0.141	26%	0.258	C	S	.	.			trans	-85.7	103.5	166	-79.3	96.8	0	0	0	108.2	F66 Y143 L156	F66-L151 HydrophobicContact CE1-CB 4.16Å; F66-L151 WeakPolarHBondContact CE1-O 3.18Å; F66-L151 HydrophobicContact CE2-CB 4.21Å; F66-L151 HydrophobicContact CZ-CB 3.66Å; F66-L151 WeakPolarHBondContact CZ-O 3.22Å; Y143-L151 HydrophobicContact CE1-CD1 4.12Å; Y143-L151 HydrophobicContact CE2-CD1 4.31Å; Y143-L151 WeakPolarHBondContact OH-CD2 3.4Å; L151-L156 HydrophobicContact CB-CB 4.15Å; L151-L156 HydrophobicContact CD2-CB 3.69Å; L151-L156 HydrophobicContact CD2-CD1 3.48Å; L151-L156 VanDerWaalsContact CD2-CD1 3.48Å; L151-L156 HydrophobicContact CD2-CD2 4.47Å; L151-L156 HydrophobicContact CD2-CG 4.03Å; L151-L156 HydrophobicContact CG-CB 4.5Å
152	S	55.8	Low	56.9	Low	49 Å²	49	55.6 Å²	55.6	34%	0.343	29%	0.29	S	S	.	.			trans	-67.4	159.3	161.1	74.4	0	0	0	0	109	Q150 E154 T155 L156	Q150-S152 PolarHBondContact O-N 2.84Å; S152-E154 PolarHBondContact O-N 2.99Å; S152-E154 PolarHBondContact OG-N 3.48Å; S152-T155 CarbonylContact O-C 3.44Å; S152-T155 PolarHBondContact O-N 2.91Å; S152-T155 WeakPolarHBondContact OG-CB 3.23Å; S152-T155 PolarHBondContact OG-N 2.96Å; S152-T155 PolarHBondContact OG-OG1 3.36Å; S152-L156 WeakPolarHBondContact O-CB 3.49Å; S152-L156 PolarHBondContact O-N 2.9Å
153	D	58.4	Low	56.6	Low	57 Å²	57	57.4 Å²	57.4	31%	0.305	30%	0.3	S	S	.	.	H	α-helix	trans	-52.5	-40.3	173.4	-58.6	6.6	0	0	0	110.4	L157 I180 S182 T184	D153-L157 WeakPolarHBondContact O-CB 3.26Å; D153-L157 PolarHBondContact O-N 3.24Å; D153-I180 HydrophobicContact CB-CG2 4.25Å; D153-I180 WeakPolarHBondContact O-CD1 3Å; D153-S182 VanDerWaalsContact CG-OG 3.3Å; D153-S182 WeakPolarHBondContact OD1-CB 3.47Å; D153-S182 PolarHBondContact OD1-OG 3.03Å; D153-S182 VanDerWaalsContact OD2-CB 3.26Å; D153-S182 WeakPolarHBondContact OD2-CB 3.34Å; D153-S182 PolarHBondContact OD2-OG 2.95Å; D153-T184 PolarHBondContact OD1-OG1 3.4Å
154	E	59.9	Low	56.2	Low	164 Å²	164	59.4 Å²	59.4	77%	0.766	31%	0.311	S	S	*	.	H	α-helix	trans	-68.3	-38.9	176.7	-62.4	-179	175.6	0	0	112.5	S152 G158	S152-E154 PolarHBondContact O-N 2.99Å; S152-E154 PolarHBondContact OG-N 3.48Å; E154-G158 WeakPolarHBondContact O-CA 3.48Å; E154-G158 PolarHBondContact O-N 2.71Å
155	T	63	Low	55.6	Low	69 Å²	69	65.3 Å²	65.3	42%	0.423	33%	0.333	S	S	.	.	H	α-helix	trans	-71.1	-41.7	178.3	-51	0	0	0	0	111.1	S152 T159	S152-T155 CarbonylContact O-C 3.44Å; S152-T155 PolarHBondContact O-N 2.91Å; S152-T155 WeakPolarHBondContact OG-CB 3.23Å; S152-T155 PolarHBondContact OG-N 2.96Å; S152-T155 PolarHBondContact OG-OG1 3.36Å; T155-T159 VanDerWaalsContact O-CB 3.22Å; T155-T159 WeakPolarHBondContact O-CB 3.38Å; T155-T159 PolarHBondContact O-N 2.81Å; T155-T159 PolarHBondContact O-OG1 3.26Å
156	L	64.8	Low	55.1	Low	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-67.6	-46	175.1	178.2	53.3	0	0	0	110.2	F66 I68 V109 L151 S152 G158 T159 L160 I180	F66-L156 HydrophobicContact CB-CD2 3.88Å; F66-L156 HydrophobicContact CD1-CD2 3.68Å; F66-L156 HydrophobicContact CD2-CD2 4.41Å; F66-L156 HydrophobicContact CE1-CD2 4.31Å; F66-L156 HydrophobicContact CG-CD2 3.74Å; I68-L156 HydrophobicContact CD1-CD2 4.1Å; V109-L156 HydrophobicContact CG1-CD1 3.48Å; V109-L156 VanDerWaalsContact CG1-CD1 3.48Å; L151-L156 HydrophobicContact CB-CB 4.15Å; L151-L156 HydrophobicContact CD2-CB 3.69Å; L151-L156 HydrophobicContact CD2-CD1 3.48Å; L151-L156 VanDerWaalsContact CD2-CD1 3.48Å; L151-L156 HydrophobicContact CD2-CD2 4.47Å; L151-L156 HydrophobicContact CD2-CG 4.03Å; L151-L156 HydrophobicContact CG-CB 4.5Å; S152-L156 WeakPolarHBondContact O-CB 3.49Å; S152-L156 PolarHBondContact O-N 2.9Å; L156-G158 VanDerWaalsContact C-N 3.3Å; L156-G158 PolarHBondContact O-N 3.37Å; L156-T159 PolarHBondContact O-N 3.3Å; L156-L160 HydrophobicContact CD1-CD1 4.06Å; L156-L160 HydrophobicContact CD1-CG 4.08Å; L156-L160 HydrophobicContact CG-CD1 4.14Å; L156-L160 WeakPolarHBondContact O-CB 3.26Å; L156-L160 WeakPolarHBondContact O-CG 3.43Å; L156-L160 PolarHBondContact O-N 3.42Å; L156-I180 HydrophobicContact CB-CD1 3.62Å; L156-I180 HydrophobicContact CD2-CD1 3.84Å; L156-I180 HydrophobicContact CD2-CG1 4.44Å; L156-I180 HydrophobicContact CG-CD1 3.54Å; L156-I180 HydrophobicContact CG-CG1 4.46Å
157	L	64.6	Low	54.5	Low	48 Å²	48	74.6 Å²	74.6	25%	0.251	37%	0.372	S	S	.	.	H	α-helix	trans	-63.9	-40.6	177.1	-171.7	61.6	0	0	0	110.9	D153 K161 I180	D153-L157 WeakPolarHBondContact O-CB 3.26Å; D153-L157 PolarHBondContact O-N 3.24Å; L157-K161 HydrophobicContact CG-CD 4.26Å; L157-K161 VanDerWaalsContact O-CB 3.28Å; L157-K161 WeakPolarHBondContact O-CB 3.25Å; L157-K161 WeakPolarHBondContact O-CG 3.46Å; L157-K161 PolarHBondContact O-N 2.8Å; L157-I180 HydrophobicContact CB-CD1 3.67Å; L157-I180 HydrophobicContact CD1-CD1 4.46Å; L157-I180 VanDerWaalsContact N-CD1 3.27Å
158	G	61.6	Low	54	Low	32 Å²	32	73.4 Å²	73.4	33%	0.33	38%	0.375	S	S	.	.	H	α-helix	trans	-63.1	-43.2	174.5	0	0	0	0	0	112	E154 L156 K161 Q162	E154-G158 WeakPolarHBondContact O-CA 3.48Å; E154-G158 PolarHBondContact O-N 2.71Å; L156-G158 VanDerWaalsContact C-N 3.3Å; L156-G158 PolarHBondContact O-N 3.37Å; G158-K161 CarbonylContact O-C 3.42Å; G158-K161 PolarHBondContact O-N 3.3Å; G158-Q162 WeakPolarHBondContact O-CB 3.38Å; G158-Q162 PolarHBondContact O-N 3.32Å
159	T	62.9	Low	53.6	Low	33 Å²	33	80.5 Å²	80.5	20%	0.202	41%	0.412	C	S	.	.	H	α-helix	trans	-63.9	-47.3	176.4	-59.8	0	0	0	0	110.6	T155 L156 K161 Q162 N163	T155-T159 VanDerWaalsContact O-CB 3.22Å; T155-T159 WeakPolarHBondContact O-CB 3.38Å; T155-T159 PolarHBondContact O-N 2.81Å; T155-T159 PolarHBondContact O-OG1 3.26Å; L156-T159 PolarHBondContact O-N 3.3Å; T159-K161 VanDerWaalsContact C-N 3.29Å; T159-K161 PolarHBondContact O-N 2.68Å; T159-Q162 PolarHBondContact O-N 2.85Å; T159-N163 WeakPolarHBondContact CG2-ND2 3.29Å; T159-N163 VanDerWaalsContact O-CB 3.26Å; T159-N163 WeakPolarHBondContact O-CB 3.41Å; T159-N163 PolarHBondContact O-N 2.73Å
160	L	63.2	Low	53.2	Low	11 Å²	11	81.4 Å²	81.4	6%	0.058	43%	0.43	C	S	.	.	H	α-helix	trans	-60.1	-40.6	174.7	-66.7	171.3	0	0	0	111	I68 Q108 V109 L156 N164 V178	I68-L160 HydrophobicContact CD1-CD1 4.13Å; Q108-L160 HydrophobicContact CB-CD2 3.46Å; Q108-L160 VanDerWaalsContact CB-CD2 3.46Å; Q108-L160 HydrophobicContact CG-CD2 4.13Å; V109-L160 HydrophobicContact CG1-CD2 3.86Å; L156-L160 HydrophobicContact CD1-CD1 4.06Å; L156-L160 HydrophobicContact CD1-CG 4.08Å; L156-L160 HydrophobicContact CG-CD1 4.14Å; L156-L160 WeakPolarHBondContact O-CB 3.26Å; L156-L160 WeakPolarHBondContact O-CG 3.43Å; L156-L160 PolarHBondContact O-N 3.42Å; L160-N164 PolarHBondContact O-ND2 3.44Å; L160-N164 PolarHBondContact O-OD1 2.78Å; L160-V178 HydrophobicContact CD1-CG1 3.95Å
161	K	64	Low	52.9	Low	138 Å²	138	82.9 Å²	82.9	60%	0.6	44%	0.437	S	S	*	.	H	α-helix	trans	-70.3	-37.9	176.8	-77.4	177.3	177.7	-177.5	0	113.3	L157 G158 T159 N164	L157-K161 HydrophobicContact CG-CD 4.26Å; L157-K161 VanDerWaalsContact O-CB 3.28Å; L157-K161 WeakPolarHBondContact O-CB 3.25Å; L157-K161 WeakPolarHBondContact O-CG 3.46Å; L157-K161 PolarHBondContact O-N 2.8Å; G158-K161 CarbonylContact O-C 3.42Å; G158-K161 PolarHBondContact O-N 3.3Å; T159-K161 VanDerWaalsContact C-N 3.29Å; T159-K161 PolarHBondContact O-N 2.68Å; K161-N164 WeakPolarHBondContact O-CB 3.48Å; K161-N164 PolarHBondContact O-ND2 3.19Å
162	Q	60.5	Low	52.3	Low	146 Å²	146	87.8 Å²	87.8	68%	0.682	46%	0.463	S	S	*	.	H	α-helix	trans	-79.2	-36.3	-176.2	-173.9	178.2	17.6	0	0	112.1	G158 T159 N164	G158-Q162 WeakPolarHBondContact O-CB 3.38Å; G158-Q162 PolarHBondContact O-N 3.32Å; T159-Q162 PolarHBondContact O-N 2.85Å; Q162-N164 PolarHBondContact O-N 2.9Å
163	N	56.2	Low	51.6	Low	55 Å²	55	87.7 Å²	87.7	29%	0.294	46%	0.457	S	S	.	.	S	Bend	trans	-81.5	2.6	179.1	-70.3	-17.8	0	0	0	113.5	Q108 T159 K165	Q108-N163 PolarHBondContact O-ND2 2.82Å; Q108-N163 PolarHBondContact OE1-O 3.43Å; T159-N163 WeakPolarHBondContact CG2-ND2 3.29Å; T159-N163 VanDerWaalsContact O-CB 3.26Å; T159-N163 WeakPolarHBondContact O-CB 3.41Å; T159-N163 PolarHBondContact O-N 2.73Å; N163-K165 PolarHBondContact O-N 2.98Å
164	N	53.3	Low	50.6	Low	44 Å²	44	90.4 Å²	90.4	24%	0.235	48%	0.48	C	S	.	.			trans	-60.9	28.1	168.5	-81.2	-26.4	0	0	0	114.8	L160 K161 Q162 F166 F173	L160-N164 PolarHBondContact O-ND2 3.44Å; L160-N164 PolarHBondContact O-OD1 2.78Å; K161-N164 WeakPolarHBondContact O-CB 3.48Å; K161-N164 PolarHBondContact O-ND2 3.19Å; Q162-N164 PolarHBondContact O-N 2.9Å; N164-F166 PolarHBondContact O-N 2.98Å; N164-F173 HydrophobicContact CB-CB 4.01Å; N164-F173 HydrophobicContact CB-CG 4.35Å; N164-F173 VanDerWaalsContact CG-CG 3.46Å; N164-F173 WeakPolarHBondContact ND2-CD1 3.1Å; N164-F173 WeakPolarHBondContact OD1-CD1 3.21Å; N164-F173 WeakPolarHBondContact OD1-CE1 3.31Å; N164-F173 WeakPolarHBondContact OD1-CG 2.91Å
165	K	42.7	Very low	49.8	Very low	178 Å²	178	89.4 Å²	89.4	77%	0.774	47%	0.473	S	S	*	.			trans	-69.3	13.9	169.9	-66.3	-170	177.3	-176.5	0	113.9	N163 H167	N163-K165 PolarHBondContact O-N 2.98Å; K165-H167 PolarHBondContact O-N 3.21Å
166	F	41	Very low	49.2	Very low	103 Å²	103	87.6 Å²	87.6	45%	0.452	47%	0.465	S	S	.	.			trans	-74.3	72.9	162.6	-83	-86.1	0	0	0	110.1	N164 V168	N164-F166 PolarHBondContact O-N 2.98Å; F166-V168 HydrophobicContact CD1-CB 4.38Å; F166-V168 HydrophobicContact CD1-CG2 3.53Å; F166-V168 HydrophobicContact CE1-CG2 4.16Å; F166-V168 PolarHBondContact O-N 3Å
167	H	37.4	Very low	48.9	Very low	159 Å²	159	93 Å²	93	74%	0.736	49%	0.49	S	S	*	.			trans	-64.9	77.3	140.5	-95.2	-90	0	0	0	107.5	K165	K165-H167 PolarHBondContact O-N 3.21Å
168	V	36.1	Very low	48.7	Very low	98 Å²	98	92.4 Å²	92.4	59%	0.594	49%	0.488	S	S	*	.	S	Bend	trans	-116.2	103.6	160.3	177	0	0	0	0	105	F166	F166-V168 HydrophobicContact CD1-CB 4.38Å; F166-V168 HydrophobicContact CD1-CG2 3.53Å; F166-V168 HydrophobicContact CE1-CG2 4.16Å; F166-V168 PolarHBondContact O-N 3Å
169	N	36.8	Very low	48.6	Very low	154 Å²	154	96 Å²	96	82%	0.824	50%	0.495	S	S	*	.	S	Bend	trans	68.7	33.3	-175.6	-63.1	-11.6	0	0	0	117.7	Q171	N169-Q171 PolarHBondContact O-N 3.19Å
170	G	36.7	Very low	48.4	Very low	60 Å²	60	95.5 Å²	95.5	62%	0.619	49%	0.49	S	S	*	.	S	Bend	trans	66	11.1	160.6	0	0	0	0	0	116.5
171	Q	39.3	Very low	48	Very low	116 Å²	116	98 Å²	98	54%	0.542	50%	0.504	S	S	.	.			trans	-96.4	118.1	172.9	-66.8	-162.6	9.8	0	0	110.4	N169 F173	N169-Q171 PolarHBondContact O-N 3.19Å; Q171-F173 PolarHBondContact O-N 3.47Å
172	N	40	Very low	47.4	Very low	129 Å²	129	92.9 Å²	92.9	69%	0.69	49%	0.485	S	S	*	.			trans	-60.5	132.2	176.8	-82.6	-29.5	0	0	0	110.9	S174	N172-S174 PolarHBondContact O-N 3.21Å
173	F	42.2	Very low	46.7	Very low	48 Å²	48	91.1 Å²	91.1	21%	0.211	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-60.8	4.2	167.8	-150.7	-93.7	0	0	0	114	F104 N164 Q171 K175 A176 V178	F104-F173 HydrophobicContact CD2-CE2 4.49Å; F104-F173 HydrophobicContact CE1-CE1 4.45Å; F104-F173 HydrophobicContact CE1-CE2 4.24Å; F104-F173 AromaticContact CE1-CZ 3.62Å; F104-F173 HydrophobicContact CE1-CZ 3.62Å; F104-F173 HydrophobicContact CE2-CD2 4.41Å; F104-F173 AromaticContact CE2-CE2 3.41Å; F104-F173 HydrophobicContact CE2-CE2 3.41Å; F104-F173 VanDerWaalsContact CE2-CE2 3.41Å; F104-F173 AromaticContact CE2-CZ 3.66Å; F104-F173 HydrophobicContact CE2-CZ 3.66Å; F104-F173 HydrophobicContact CZ-CD2 4.37Å; F104-F173 AromaticContact CZ-CE1 3.9Å; F104-F173 HydrophobicContact CZ-CE1 3.9Å; F104-F173 AromaticContact CZ-CE2 3.28Å; F104-F173 HydrophobicContact CZ-CE2 3.28Å; F104-F173 AromaticContact CZ-CZ 2.99Å; F104-F173 HydrophobicContact CZ-CZ 2.99Å; N164-F173 HydrophobicContact CB-CB 4.01Å; N164-F173 HydrophobicContact CB-CG 4.35Å; N164-F173 VanDerWaalsContact CG-CG 3.46Å; N164-F173 WeakPolarHBondContact ND2-CD1 3.1Å; N164-F173 WeakPolarHBondContact OD1-CD1 3.21Å; N164-F173 WeakPolarHBondContact OD1-CE1 3.31Å; N164-F173 WeakPolarHBondContact OD1-CG 2.91Å; Q171-F173 PolarHBondContact O-N 3.47Å; F173-K175 PolarHBondContact O-N 3.49Å; F173-A176 HydrophobicContact CD1-CB 3.86Å; F173-A176 HydrophobicContact CD2-CB 4.46Å; F173-A176 HydrophobicContact CE1-CB 3.39Å; F173-A176 HydrophobicContact CE2-CB 4Å; F173-A176 HydrophobicContact CG-CB 4.38Å; F173-A176 HydrophobicContact CZ-CB 3.42Å; F173-A176 VanDerWaalsContact CZ-CB 3.42Å; F173-A176 PolarHBondContact O-N 3.28Å; F173-V178 HydrophobicContact CE1-CG2 4.2Å
174	S	37.4	Very low	46.3	Very low	114 Å²	114	91.3 Å²	91.3	80%	0.797	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-60	-6.5	173.9	-165	0	0	0	0	113.8	N172	N172-S174 PolarHBondContact O-N 3.21Å
175	K	43.2	Very low	46.1	Very low	143 Å²	143	92.6 Å²	92.6	62%	0.622	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-98.1	-24.8	178.3	-68	-174	178.4	-179.7	0	114.8	F173 H177	F173-K175 PolarHBondContact O-N 3.49Å; K175-H177 PolarHBondContact O-N 3.14Å
176	A	49.8	Very low	46.5	Very low	31 Å²	31	91.6 Å²	91.6	26%	0.256	49%	0.489	S	S	.	.			trans	-78.2	113.9	-175.6	0	0	0	0	0	110.6	F173 V178	F173-A176 HydrophobicContact CD1-CB 3.86Å; F173-A176 HydrophobicContact CD2-CB 4.46Å; F173-A176 HydrophobicContact CE1-CB 3.39Å; F173-A176 HydrophobicContact CE2-CB 4Å; F173-A176 HydrophobicContact CG-CB 4.38Å; F173-A176 HydrophobicContact CZ-CB 3.42Å; F173-A176 VanDerWaalsContact CZ-CB 3.42Å; F173-A176 PolarHBondContact O-N 3.28Å; A176-V178 PolarHBondContact O-N 2.84Å; A176-V178 VanDerWaalsContact O-N 3.14Å
177	H	57.7	Low	47.5	Very low	114 Å²	114	88.6 Å²	88.6	53%	0.528	47%	0.474	S	S	.	.			trans	-73.1	104.5	175.8	-74.5	-82.6	0	0	0	110.4	E71 F136 K175	E71-H177 HydrophobicContact CB-CB 4.2Å; E71-H177 PolarHBondContact N-O 2.02Å; E71-H177 IonicContact OE2-CD2 2.7Å; F136-H177 HydrophobicContact CE1-CB 3.76Å; F136-H177 HydrophobicContact CZ-CB 4.13Å; K175-H177 PolarHBondContact O-N 3.14Å
178	V	60	Low	48.8	Very low	34 Å²	34	82.9 Å²	82.9	21%	0.206	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.6	173.4	-175.4	0	0	0	0	109.6	I68 L69 I70 L160 F173 A176	I68-V178 HydrophobicContact CG2-CG1 3.82Å; L69-V178 WeakPolarHBondContact O-CA 3.27Å; I70-V178 HydrophobicContact CD1-CG2 4.42Å; I70-V178 HydrophobicContact CG1-CG2 4.21Å; L160-V178 HydrophobicContact CD1-CG1 3.95Å; F173-V178 HydrophobicContact CE1-CG2 4.2Å; A176-V178 PolarHBondContact O-N 2.84Å; A176-V178 VanDerWaalsContact O-N 3.14Å
179	K	60.2	Low	50.6	Low	109 Å²	109	79 Å²	79	47%	0.474	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.7	173.9	-176.3	177.9	-179	-179.7	0	109.5	L69 L181	L69-K179 HydrophobicContact CB-CB 4.3Å; L69-K179 PolarHBondContact N-O 2.97Å; L69-K179 PolarHBondContact O-N 3.17Å; K179-L181 HydrophobicContact CD-CD2 4.27Å; K179-L181 HydrophobicContact CG-CD2 4.38Å; K179-L181 PolarHBondContact O-N 3.42Å
180	I	59.3	Low	52.5	Low	21 Å²	21	79.9 Å²	79.9	11%	0.108	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	121.9	173.2	-61.9	174.5	0	0	0	107.9	G67 D153 L156 L157	G67-I180 CarbonylContact O-C 3.51Å; D153-I180 HydrophobicContact CB-CG2 4.25Å; D153-I180 WeakPolarHBondContact O-CD1 3Å; L156-I180 HydrophobicContact CB-CD1 3.62Å; L156-I180 HydrophobicContact CD2-CD1 3.84Å; L156-I180 HydrophobicContact CD2-CG1 4.44Å; L156-I180 HydrophobicContact CG-CD1 3.54Å; L156-I180 HydrophobicContact CG-CG1 4.46Å; L157-I180 HydrophobicContact CB-CD1 3.67Å; L157-I180 HydrophobicContact CD1-CD1 4.46Å; L157-I180 VanDerWaalsContact N-CD1 3.27Å
181	L	53.3	Low	53.9	Low	65 Å²	65	81.6 Å²	81.6	34%	0.34	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	72.1	172.3	-57.4	176.6	0	0	0	106.8	G67 L69 V138 K179	G67-L181 VanDerWaalsContact CA-O 3.31Å; G67-L181 WeakPolarHBondContact CA-O 3.25Å; G67-L181 PolarHBondContact N-O 2.88Å; G67-L181 CarbonylContact O-C 3.56Å; G67-L181 WeakPolarHBondContact O-CA 3.14Å; G67-L181 PolarHBondContact O-N 2.84Å; L69-L181 HydrophobicContact CB-CD1 4.07Å; L69-L181 HydrophobicContact CB-CG 4.27Å; V138-L181 HydrophobicContact CG1-CD1 4.49Å; K179-L181 HydrophobicContact CD-CD2 4.27Å; K179-L181 HydrophobicContact CG-CD2 4.38Å; K179-L181 PolarHBondContact O-N 3.42Å
182	S	52.4	Low	55.3	Low	29 Å²	29	76.1 Å²	76.1	20%	0.203	40%	0.396	C	S	.	.			trans	-101.7	139.7	-177.9	158.6	0	0	0	0	110.7	D153 T184	D153-S182 VanDerWaalsContact CG-OG 3.3Å; D153-S182 WeakPolarHBondContact OD1-CB 3.47Å; D153-S182 PolarHBondContact OD1-OG 3.03Å; D153-S182 VanDerWaalsContact OD2-CB 3.26Å; D153-S182 WeakPolarHBondContact OD2-CB 3.34Å; D153-S182 PolarHBondContact OD2-OG 2.95Å; S182-T184 VanDerWaalsContact OG-CG2 3.3Å; S182-T184 WeakPolarHBondContact OG-CG2 3.33Å; S182-T184 PolarHBondContact OG-N 3.08Å; S182-T184 VanDerWaalsContact OG-N 3.09Å; S182-T184 PolarHBondContact OG-OG1 3.11Å
183	N	44.8	Very low	56.8	Low	110 Å²	110	76.9 Å²	76.9	59%	0.588	40%	0.395	S	S	*	.			trans	-120.6	52	164.2	-168.6	0.5	0	0	0	107.5	V185	N183-V185 VanDerWaalsContact C-N 3.31Å; N183-V185 PolarHBondContact O-N 3.41Å
184	T	48	Very low	58.2	Low	59 Å²	59	77.8 Å²	77.8	36%	0.362	41%	0.408	S	S	.	.			trans	-69.5	92.7	174.4	48.1	0	0	0	0	108.8	T64 F66 D153 S182 K186	T64-T184 HydrophobicContact CG2-CG2 4.48Å; F66-T184 HydrophobicContact CD1-CG2 4.14Å; F66-T184 HydrophobicContact CE1-CG2 3.51Å; F66-T184 HydrophobicContact CZ-CG2 4Å; D153-T184 PolarHBondContact OD1-OG1 3.4Å; S182-T184 VanDerWaalsContact OG-CG2 3.3Å; S182-T184 WeakPolarHBondContact OG-CG2 3.33Å; S182-T184 PolarHBondContact OG-N 3.08Å; S182-T184 VanDerWaalsContact OG-N 3.09Å; S182-T184 PolarHBondContact OG-OG1 3.11Å; T184-K186 PolarHBondContact O-N 3.13Å
185	V	49	Very low	59.6	Low	70 Å²	70	73.6 Å²	73.6	42%	0.424	38%	0.378	S	S	.	.			trans	-62.8	111.6	166.4	173.8	0	0	0	0	106.8	P49 N183 R187	P49-V185 HydrophobicContact CB-CB 3.86Å; P49-V185 HydrophobicContact CB-CG2 3.56Å; P49-V185 HydrophobicContact CG-CB 4.28Å; P49-V185 HydrophobicContact CG-CG2 3.4Å; P49-V185 VanDerWaalsContact CG-CG2 3.4Å; N183-V185 VanDerWaalsContact C-N 3.31Å; N183-V185 PolarHBondContact O-N 3.41Å; V185-R187 HydrophobicContact CG1-CG 4.44Å; V185-R187 WeakPolarHBondContact O-CG 2.86Å; V185-R187 PolarHBondContact O-N 3.41Å
186	K	52.7	Low	61	Low	158 Å²	158	67.6 Å²	67.6	69%	0.687	35%	0.353	S	S	*	.			trans	-61	104.6	170.3	-175	178.8	-177.8	178.7	0	107.4	T184	T184-K186 PolarHBondContact O-N 3.13Å
187	R	62.2	Low	62.1	Low	40 Å²	40	67.4 Å²	67.4	15%	0.151	35%	0.35	C	S	.	.			trans	-85.5	132.6	179.6	-63.6	-176.3	-175.1	85.1	-4	109.7	Q50 V185 I209	Q50-R187 VanDerWaalsContact N-NH2 3.15Å; Q50-R187 PolarHBondContact O-NE 3.34Å; Q50-R187 VanDerWaalsContact O-NE 3.14Å; Q50-R187 PolarHBondContact O-NH2 3.43Å; V185-R187 HydrophobicContact CG1-CG 4.44Å; V185-R187 WeakPolarHBondContact O-CG 2.86Å; V185-R187 PolarHBondContact O-N 3.41Å; R187-I209 WeakPolarHBondContact O-CG2 3.04Å
188	T	64.7	Low	63.2	Low	39 Å²	39	72.3 Å²	72.3	24%	0.239	36%	0.363	C	S	.	.			trans	-104	163.3	172.3	74.8	0	0	0	0	110.7	E190 D191 C192 N204	T188-E190 PolarHBondContact O-N 3.46Å; T188-E190 PolarHBondContact OG1-N 3.01Å; T188-D191 PolarHBondContact N-OD2 2.04Å; T188-D191 PolarHBondContact O-N 2.94Å; T188-D191 PolarHBondContact OG1-N 3.33Å; T188-D191 PolarHBondContact OG1-OD2 3.34Å; T188-C192 WeakPolarHBondContact O-CB 3.46Å; T188-C192 PolarHBondContact O-N 2.86Å; T188-N204 VanDerWaalsContact CA-OD1 3.32Å; T188-N204 WeakPolarHBondContact CA-OD1 3.05Å; T188-N204 WeakPolarHBondContact CB-OD1 3.08Å
189	C	73	Confident	64.4	Low	15 Å²	15	74.7 Å²	74.7	10%	0.101	37%	0.372	C	S	.	.	H	α-helix	trans	-64.2	-21.9	172.3	-77.3	0	0	0	0	112.6	D191 Q193 C202 S203 N204	C189-D191 VanDerWaalsContact C-N 3.35Å; C189-Q193 WeakPolarHBondContact O-CA 3.17Å; C189-Q193 VanDerWaalsContact O-CB 3.23Å; C189-Q193 WeakPolarHBondContact O-CB 3.22Å; C189-Q193 PolarHBondContact O-N 3.41Å; C189-C202 WeakPolarHBondContact CA-SG 3.42Å; C189-C202 HydrophobicContact CB-CB 3.76Å; C189-C202 WeakPolarHBondContact CB-SG 3.19Å; C189-C202 VanDerWaalsContact SG-CA 3.6Å; C189-C202 WeakPolarHBondContact SG-CB 3.4Å; C189-C202 CovalentContact SG-SG 2.03Å; C189-C202 PolarHBondContact SG-SG 2.52Å; C189-S203 PolarHBondContact SG-N 3.42Å; C189-S203 PolarHBondContact SG-O 3.01Å; C189-N204 WeakPolarHBondContact CB-OD1 3.3Å; C189-N204 PolarHBondContact N-OD1 3.01Å
190	E	76.6	Confident	65.4	Low	173 Å²	173	70.2 Å²	70.2	81%	0.808	36%	0.355	S	S	*	.	H	α-helix	trans	-68	-40.4	173.3	-65.3	179.3	179.7	0	0	110.2	T188	T188-E190 PolarHBondContact O-N 3.46Å; T188-E190 PolarHBondContact OG1-N 3.01Å
191	D	66.5	Low	66.5	Low	96 Å²	96	76 Å²	76	51%	0.513	38%	0.376	S	S	.	.	H	α-helix	trans	-77.5	-35	179.7	-49.7	-54.8	0	0	0	112.5	C52 T188 C189	C52-D191 WeakPolarHBondContact CB-O 3.22Å; C52-D191 PolarHBondContact SG-O 3.39Å; T188-D191 PolarHBondContact N-OD2 2.04Å; T188-D191 PolarHBondContact O-N 2.94Å; T188-D191 PolarHBondContact OG1-N 3.33Å; T188-D191 PolarHBondContact OG1-OD2 3.34Å; C189-D191 VanDerWaalsContact C-N 3.35Å
192	C	67.5	Low	67.8	Low	1 Å²	1	74.5 Å²	74.5	1%	0.007	37%	0.37	C	S	.	.	H	α-helix	trans	-123.9	21.3	-163.9	-98.8	0	0	0	0	113.8	C52 T188 S194 V195 I209	C52-C192 HydrophobicContact CB-CB 4.02Å; C52-C192 WeakPolarHBondContact CB-SG 3.07Å; C52-C192 WeakPolarHBondContact SG-CA 3.28Å; C52-C192 WeakPolarHBondContact SG-CB 3.34Å; C52-C192 CovalentContact SG-SG 2.02Å; C52-C192 PolarHBondContact SG-SG 3.42Å; T188-C192 WeakPolarHBondContact O-CB 3.46Å; T188-C192 PolarHBondContact O-N 2.86Å; C192-S194 PolarHBondContact O-N 2.79Å; C192-S194 VanDerWaalsContact O-N 3.09Å; C192-V195 HydrophobicContact CB-CB 4.48Å; C192-V195 HydrophobicContact CB-CG2 3.89Å; C192-V195 VanDerWaalsContact O-CB 3.25Å; C192-V195 WeakPolarHBondContact O-CB 3.5Å; C192-V195 WeakPolarHBondContact O-CG2 3.45Å; C192-V195 PolarHBondContact O-N 3.4Å; C192-I209 HydrophobicContact CB-CD1 3.72Å
193	Q	72.2	Confident	68.9	Low	145 Å²	145	75.4 Å²	75.4	68%	0.678	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-52.6	-38	-178.3	-163.1	175.4	14.9	0	0	112.9	C189 V195 C196	C189-Q193 WeakPolarHBondContact O-CA 3.17Å; C189-Q193 VanDerWaalsContact O-CB 3.23Å; C189-Q193 WeakPolarHBondContact O-CB 3.22Å; C189-Q193 PolarHBondContact O-N 3.41Å; Q193-V195 PolarHBondContact O-N 2.87Å; Q193-C196 PolarHBondContact O-N 3.47Å
194	S	70.9	Confident	69.8	Low	68 Å²	68	74.6 Å²	74.6	48%	0.476	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-65.6	-17.8	-179.8	48	0	0	0	0	114.1	V56 C192 C196	V56-S194 WeakPolarHBondContact CG2-OG 3.49Å; C192-S194 PolarHBondContact O-N 2.79Å; C192-S194 VanDerWaalsContact O-N 3.09Å; S194-C196 VanDerWaalsContact C-N 3.34Å
195	V	67.4	Low	70.1	Confident	26 Å²	26	74.4 Å²	74.4	16%	0.158	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-71.3	-31.7	176.4	177.4	0	0	0	0	111.4	I55 V56 L62 C192 Q193 I209	I55-V195 HydrophobicContact CB-CG2 4.03Å; I55-V195 HydrophobicContact CD1-CG2 4.38Å; I55-V195 HydrophobicContact CG2-CB 4.22Å; I55-V195 HydrophobicContact CG2-CG1 3.66Å; I55-V195 HydrophobicContact CG2-CG2 3.64Å; V56-V195 HydrophobicContact CG2-CG2 4.19Å; L62-V195 HydrophobicContact CD1-CG1 3.76Å; C192-V195 HydrophobicContact CB-CB 4.48Å; C192-V195 HydrophobicContact CB-CG2 3.89Å; C192-V195 VanDerWaalsContact O-CB 3.25Å; C192-V195 WeakPolarHBondContact O-CB 3.5Å; C192-V195 WeakPolarHBondContact O-CG2 3.45Å; C192-V195 PolarHBondContact O-N 3.4Å; Q193-V195 PolarHBondContact O-N 2.87Å; V195-I209 HydrophobicContact CB-CD1 4.17Å; V195-I209 HydrophobicContact CG1-CD1 4.25Å
196	C	73.4	Confident	69.9	Low	16 Å²	16	79.1 Å²	79.1	11%	0.108	39%	0.391	C	S	.	.	S	Bend	trans	-73.7	140.9	-179.2	-71.3	0	0	0	0	111.6	Q193 S194 S200 C202 C211	Q193-C196 PolarHBondContact O-N 3.47Å; S194-C196 VanDerWaalsContact C-N 3.34Å; C196-S200 WeakPolarHBondContact CB-OG 3.16Å; C196-C202 HydrophobicContact CB-CB 4.42Å; C196-C202 VanDerWaalsContact SG-CB 3.55Å; C196-C211 WeakPolarHBondContact CA-SG 3.44Å; C196-C211 HydrophobicContact CB-CB 3.71Å; C196-C211 WeakPolarHBondContact CB-SG 3.22Å; C196-C211 WeakPolarHBondContact SG-CB 3.13Å; C196-C211 CovalentContact SG-SG 2.03Å; C196-C211 PolarHBondContact SG-SG 3.35Å
197	P	72.9	Confident	69.4	Low	28 Å²	28	74.2 Å²	74.2	18%	0.182	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-61.5	155.7	-179.7	18.6	-27.7	0	0	0	113	H199 S200 E227	P197-H199 PolarHBondContact O-N 3.41Å; P197-S200 WeakPolarHBondContact O-CB 3.13Å; P197-S200 PolarHBondContact O-N 2.99Å; P197-S200 VanDerWaalsContact O-N 3.17Å; P197-S200 PolarHBondContact O-OG 3.4Å; P197-E227 WeakPolarHBondContact CB-O 3.25Å; P197-E227 WeakPolarHBondContact CG-O 3.1Å
198	R	79.6	Confident	69	Low	217 Å²	217	72.8 Å²	72.8	82%	0.819	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	142.9	169.4	-72.9	-171.8	-178.5	172.7	1.2	109.9	S200 C229	R198-S200 VanDerWaalsContact C-N 3.31Å; R198-C229 WeakPolarHBondContact O-CB 3.26Å
199	H	85.3	Confident	68.9	Low	83 Å²	83	71.8 Å²	71.8	38%	0.384	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	33.3	-175.7	-45.1	-78	0	0	0	114.3	P197 K214 W217 C229	P197-H199 PolarHBondContact O-N 3.41Å; H199-K214 WeakPolarHBondContact O-CG 3.27Å; H199-K214 PolarHBondContact O-N 3.14Å; H199-W217 HydrophobicContact CB-CD2 3.45Å; H199-W217 VanDerWaalsContact CB-CD2 3.45Å; H199-W217 HydrophobicContact CB-CE3 3.71Å; H199-W217 HydrophobicContact CB-CG 3.92Å; H199-W217 HydrophobicContact CB-CH2 4.17Å; H199-W217 HydrophobicContact CB-CZ2 3.93Å; H199-W217 HydrophobicContact CB-CZ3 4.06Å; H199-W217 AromaticContact CD2-CE3 3.96Å; H199-W217 AromaticContact CD2-CH2 3.2Å; H199-W217 WeakPolarHBondContact CD2-CH2 3.21Å; H199-W217 AromaticContact CD2-CZ2 3.63Å; H199-W217 AromaticContact CD2-CZ3 3.38Å; H199-W217 WeakPolarHBondContact CD2-CZ3 3.29Å; H199-W217 AromaticContact CE1-CH2 3.65Å; H199-W217 AromaticContact CE1-CZ2 3.54Å; H199-W217 AromaticContact CG-CD2 3.82Å; H199-W217 AromaticContact CG-CE2 3.51Å; H199-W217 AromaticContact CG-CE3 3.89Å; H199-W217 AromaticContact CG-CH2 3.44Å; H199-W217 VanDerWaalsContact CG-CH2 3.44Å; H199-W217 AromaticContact CG-CZ2 3.34Å; H199-W217 AromaticContact CG-CZ3 3.71Å; H199-W217 AromaticContact ND1-CE2 3.69Å; H199-W217 AromaticContact ND1-CH2 3.71Å; H199-W217 AromaticContact ND1-CZ2 3.29Å; H199-W217 VanDerWaalsContact ND1-CZ2 3.29Å; H199-W217 WeakPolarHBondContact ND1-CZ2 3.07Å; H199-W217 AromaticContact NE2-CH2 3.38Å; H199-W217 WeakPolarHBondContact NE2-CH2 3.06Å; H199-W217 AromaticContact NE2-CZ2 3.78Å; H199-C229 HydrophobicContact CB-CB 4.19Å
200	S	82.3	Confident	68.5	Low	16 Å²	16	73.2 Å²	73.2	11%	0.112	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	164.5	165	69.5	0	0	0	0	112	C196 P197 R198 T212	C196-S200 WeakPolarHBondContact CB-OG 3.16Å; P197-S200 WeakPolarHBondContact O-CB 3.13Å; P197-S200 PolarHBondContact O-N 2.99Å; P197-S200 VanDerWaalsContact O-N 3.17Å; P197-S200 PolarHBondContact O-OG 3.4Å; R198-S200 VanDerWaalsContact C-N 3.31Å; S200-T212 CarbonylContact C-O 3.42Å; S200-T212 WeakPolarHBondContact CA-O 3.18Å; S200-T212 VanDerWaalsContact CB-O 3.26Å; S200-T212 WeakPolarHBondContact CB-O 3.36Å
201	Y	82.9	Confident	68.4	Low	143 Å²	143	65.9 Å²	65.9	56%	0.561	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.8	165.4	-64.9	-69.8	0	0	0	108.2	C211 T212 K214	Y201-C211 WeakPolarHBondContact O-CA 3.46Å; Y201-T212 PolarHBondContact N-O 3.09Å; Y201-T212 PolarHBondContact O-N 3.4Å; Y201-K214 HydrophobicContact CD2-CB 4.44Å; Y201-K214 HydrophobicContact CD2-CG 3.83Å; Y201-K214 HydrophobicContact CE1-CD 4.35Å; Y201-K214 HydrophobicContact CE1-CG 4.24Å; Y201-K214 HydrophobicContact CE2-CB 3.91Å; Y201-K214 HydrophobicContact CE2-CD 4.34Å; Y201-K214 HydrophobicContact CE2-CG 3.5Å; Y201-K214 HydrophobicContact CG-CG 4.34Å
202	C	80	Confident	69	Low	32 Å²	32	65 Å²	65	22%	0.216	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128.1	164.3	-166	0	0	0	0	107.9	C189 C196	C189-C202 WeakPolarHBondContact CA-SG 3.42Å; C189-C202 HydrophobicContact CB-CB 3.76Å; C189-C202 WeakPolarHBondContact CB-SG 3.19Å; C189-C202 VanDerWaalsContact SG-CA 3.6Å; C189-C202 WeakPolarHBondContact SG-CB 3.4Å; C189-C202 CovalentContact SG-SG 2.03Å; C189-C202 PolarHBondContact SG-SG 2.52Å; C196-C202 HydrophobicContact CB-CB 4.42Å; C196-C202 VanDerWaalsContact SG-CB 3.55Å
203	S	74.9	Confident	69.7	Low	48 Å²	48	66.2 Å²	66.2	34%	0.336	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.8	172.3	53.8	0	0	0	0	109.6	C189 T205 S210	C189-S203 PolarHBondContact SG-N 3.42Å; C189-S203 PolarHBondContact SG-O 3.01Å; S203-T205 PolarHBondContact O-N 2.94Å; S203-S210 PolarHBondContact N-O 3.25Å; S203-S210 PolarHBondContact O-N 3.1Å; S203-S210 PolarHBondContact OG-O 2.99Å; S203-S210 VanDerWaalsContact OG-O 3.14Å
204	N	64.5	Low	70.4	Confident	94 Å²	94	63.1 Å²	63.1	50%	0.503	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	125.9	167.5	-74.1	-35.2	0	0	0	107.7	T188 C189	T188-N204 VanDerWaalsContact CA-OD1 3.32Å; T188-N204 WeakPolarHBondContact CA-OD1 3.05Å; T188-N204 WeakPolarHBondContact CB-OD1 3.08Å; C189-N204 WeakPolarHBondContact CB-OD1 3.3Å; C189-N204 PolarHBondContact N-OD1 3.01Å
205	T	54.6	Low	71	Confident	55 Å²	55	69.7 Å²	69.7	34%	0.337	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	166.8	170.2	64.4	0	0	0	0	108.4	S203 N207 G208	S203-T205 PolarHBondContact O-N 2.94Å; T205-N207 PolarHBondContact O-N 3.14Å; T205-N207 PolarHBondContact OG1-N 3.09Å; T205-G208 PolarHBondContact N-O 2.85Å; T205-G208 PolarHBondContact O-N 3.25Å; T205-G208 PolarHBondContact OG1-N 2.92Å; T205-G208 PolarHBondContact OG1-O 2.73Å
206	M	43.1	Very low	71.6	Confident	169 Å²	169	69.1 Å²	69.1	83%	0.833	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-24.9	172.2	-170.6	175.5	-70.4	0	0	111.9
207	N	43.5	Very low	72.3	Confident	55 Å²	55	71.8 Å²	71.8	29%	0.294	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	27	-164.4	-61.8	-7.7	0	0	0	113.8	T149 Q150 T205	T149-N207 CarbonylContact C-O 3.58Å; T149-N207 VanDerWaalsContact O-O 3.11Å; T149-N207 PolarHBondContact OG1-O 2.74Å; Q150-N207 HydrophobicContact CB-CB 3.66Å; Q150-N207 HydrophobicContact CG-CB 3.39Å; Q150-N207 PolarHBondContact OE1-ND2 2.87Å; Q150-N207 VanDerWaalsContact OE1-ND2 3.17Å; T205-N207 PolarHBondContact O-N 3.14Å; T205-N207 PolarHBondContact OG1-N 3.09Å
208	G	53.8	Low	72.7	Confident	9 Å²	9	74.9 Å²	74.9	9%	0.093	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	111.1	-139.9	-177	0	0	0	0	0	112.1	T205	T205-G208 PolarHBondContact N-O 2.85Å; T205-G208 PolarHBondContact O-N 3.25Å; T205-G208 PolarHBondContact OG1-N 2.92Å; T205-G208 PolarHBondContact OG1-O 2.73Å
209	I	61.2	Low	72.5	Confident	18 Å²	18	69.7 Å²	69.7	9%	0.092	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	144.1	-177.5	68.9	-179.9	0	0	0	111.5	R187 C192 V195	R187-I209 WeakPolarHBondContact O-CG2 3.04Å; C192-I209 HydrophobicContact CB-CD1 3.72Å; V195-I209 HydrophobicContact CB-CD1 4.17Å; V195-I209 HydrophobicContact CG1-CD1 4.25Å
210	S	65.9	Low	71.7	Confident	45 Å²	45	67.9 Å²	67.9	32%	0.315	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.3	170.7	177.2	0	0	0	0	110.3	S203	S203-S210 PolarHBondContact N-O 3.25Å; S203-S210 PolarHBondContact O-N 3.1Å; S203-S210 PolarHBondContact OG-O 2.99Å; S203-S210 VanDerWaalsContact OG-O 3.14Å
211	C	73.5	Confident	70.8	Confident	20 Å²	20	68.9 Å²	68.9	14%	0.135	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.4	177.3	-49.9	0	0	0	0	109.9	C196 Y201	C196-C211 WeakPolarHBondContact CA-SG 3.44Å; C196-C211 HydrophobicContact CB-CB 3.71Å; C196-C211 WeakPolarHBondContact CB-SG 3.22Å; C196-C211 WeakPolarHBondContact SG-CB 3.13Å; C196-C211 CovalentContact SG-SG 2.03Å; C196-C211 PolarHBondContact SG-SG 3.35Å; Y201-C211 WeakPolarHBondContact O-CA 3.46Å
212	T	79.4	Confident	69	Low	78 Å²	78	64 Å²	64	48%	0.479	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.8	179	-54.7	0	0	0	0	109.9	S200 Y201 K214	S200-T212 CarbonylContact C-O 3.42Å; S200-T212 WeakPolarHBondContact CA-O 3.18Å; S200-T212 VanDerWaalsContact CB-O 3.26Å; S200-T212 WeakPolarHBondContact CB-O 3.36Å; Y201-T212 PolarHBondContact N-O 3.09Å; Y201-T212 PolarHBondContact O-N 3.4Å; T212-K214 PolarHBondContact O-N 3.33Å
213	C	82.3	Confident	67.2	Low	25 Å²	25	69.9 Å²	69.9	17%	0.169	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	141.2	178.1	-66.8	0	0	0	0	111.4	W217 C229	C213-W217 HydrophobicContact CB-CB 3.92Å; C213-C229 WeakPolarHBondContact CA-SG 3.35Å; C213-C229 HydrophobicContact CB-CB 3.88Å; C213-C229 WeakPolarHBondContact CB-SG 3.37Å; C213-C229 VanDerWaalsContact SG-CA 3.55Å; C213-C229 WeakPolarHBondContact SG-CB 3.31Å; C213-C229 CovalentContact SG-SG 2.04Å; C213-C229 PolarHBondContact SG-SG 3.16Å
214	K	87.4	Confident	65.4	Low	81 Å²	81	71.8 Å²	71.8	35%	0.352	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-60.8	158.1	175.6	-65.3	-171.9	176.5	-177	0	110	H199 Y201 T212 G216 W217	H199-K214 WeakPolarHBondContact O-CG 3.27Å; H199-K214 PolarHBondContact O-N 3.14Å; Y201-K214 HydrophobicContact CD2-CB 4.44Å; Y201-K214 HydrophobicContact CD2-CG 3.83Å; Y201-K214 HydrophobicContact CE1-CD 4.35Å; Y201-K214 HydrophobicContact CE1-CG 4.24Å; Y201-K214 HydrophobicContact CE2-CB 3.91Å; Y201-K214 HydrophobicContact CE2-CD 4.34Å; Y201-K214 HydrophobicContact CE2-CG 3.5Å; Y201-K214 HydrophobicContact CG-CG 4.34Å; T212-K214 PolarHBondContact O-N 3.33Å; K214-G216 PolarHBondContact O-N 3.48Å; K214-W217 WeakPolarHBondContact O-CB 2.95Å; K214-W217 PolarHBondContact O-N 3.07Å
215	F	83.7	Confident	64.2	Low	206 Å²	206	77.3 Å²	77.3	90%	0.904	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	136.2	175.8	-177.2	-95.7	0	0	0	111.5	W217	F215-W217 VanDerWaalsContact C-N 3.28Å
216	G	80.3	Confident	64	Low	14 Å²	14	79 Å²	79	14%	0.144	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	3.3	-174.7	0	0	0	0	0	114.7	K214 L231 H232 S235	K214-G216 PolarHBondContact O-N 3.48Å; G216-L231 WeakPolarHBondContact O-CD1 3.37Å; G216-H232 VanDerWaalsContact O-CB 3.24Å; G216-H232 WeakPolarHBondContact O-CB 3.45Å; G216-H232 PolarHBondContact O-N 3.16Å; G216-S235 WeakPolarHBondContact CA-OG 3.44Å; G216-S235 PolarHBondContact O-OG 3.26Å
217	W	87	Confident	64.9	Low	72 Å²	72	74 Å²	74	27%	0.273	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.8	172.5	-60.5	74.9	0	0	0	110.5	H199 C213 K214 F215 C229 T230 L231	H199-W217 HydrophobicContact CB-CD2 3.45Å; H199-W217 VanDerWaalsContact CB-CD2 3.45Å; H199-W217 HydrophobicContact CB-CE3 3.71Å; H199-W217 HydrophobicContact CB-CG 3.92Å; H199-W217 HydrophobicContact CB-CH2 4.17Å; H199-W217 HydrophobicContact CB-CZ2 3.93Å; H199-W217 HydrophobicContact CB-CZ3 4.06Å; H199-W217 AromaticContact CD2-CE3 3.96Å; H199-W217 AromaticContact CD2-CH2 3.2Å; H199-W217 WeakPolarHBondContact CD2-CH2 3.21Å; H199-W217 AromaticContact CD2-CZ2 3.63Å; H199-W217 AromaticContact CD2-CZ3 3.38Å; H199-W217 WeakPolarHBondContact CD2-CZ3 3.29Å; H199-W217 AromaticContact CE1-CH2 3.65Å; H199-W217 AromaticContact CE1-CZ2 3.54Å; H199-W217 AromaticContact CG-CD2 3.82Å; H199-W217 AromaticContact CG-CE2 3.51Å; H199-W217 AromaticContact CG-CE3 3.89Å; H199-W217 AromaticContact CG-CH2 3.44Å; H199-W217 VanDerWaalsContact CG-CH2 3.44Å; H199-W217 AromaticContact CG-CZ2 3.34Å; H199-W217 AromaticContact CG-CZ3 3.71Å; H199-W217 AromaticContact ND1-CE2 3.69Å; H199-W217 AromaticContact ND1-CH2 3.71Å; H199-W217 AromaticContact ND1-CZ2 3.29Å; H199-W217 VanDerWaalsContact ND1-CZ2 3.29Å; H199-W217 WeakPolarHBondContact ND1-CZ2 3.07Å; H199-W217 AromaticContact NE2-CH2 3.38Å; H199-W217 WeakPolarHBondContact NE2-CH2 3.06Å; H199-W217 AromaticContact NE2-CZ2 3.78Å; C213-W217 HydrophobicContact CB-CB 3.92Å; K214-W217 WeakPolarHBondContact O-CB 2.95Å; K214-W217 PolarHBondContact O-N 3.07Å; F215-W217 VanDerWaalsContact C-N 3.28Å; W217-C229 HydrophobicContact CB-CB 4Å; W217-C229 HydrophobicContact CD2-CB 4.49Å; W217-C229 HydrophobicContact CE3-CB 4.03Å; W217-C229 VanDerWaalsContact CE3-O 3.25Å; W217-C229 WeakPolarHBondContact CZ3-O 2.88Å; W217-T230 CarbonylContact C-O 3.51Å; W217-T230 WeakPolarHBondContact CA-O 3.14Å; W217-L231 HydrophobicContact CD2-CD1 4.21Å; W217-L231 HydrophobicContact CZ2-CD1 4.03Å
218	K	81.5	Confident	66.3	Low	93 Å²	93	77.1 Å²	77.1	40%	0.404	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140	172.9	66.8	176.4	-177.2	173.9	0	110.4	V220 C229 T230	K218-V220 HydrophobicContact CD-CG2 4.38Å; K218-V220 HydrophobicContact CG-CG2 4.08Å; K218-C229 WeakPolarHBondContact O-CA 3.44Å; K218-T230 VanDerWaalsContact CE-OG1 3.29Å; K218-T230 WeakPolarHBondContact CE-OG1 3.48Å; K218-T230 WeakPolarHBondContact CG-OG1 3.45Å; K218-T230 PolarHBondContact N-O 2.8Å; K218-T230 PolarHBondContact O-N 2.93Å; K218-T230 PolarHBondContact O-OG1 2.77Å
219	K	74.9	Confident	67.7	Low	108 Å²	108	77.2 Å²	77.2	47%	0.47	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	129	173	-175	171	170.9	166.3	0	109.6	E227	K219-E227 WeakPolarHBondContact CE-OE1 3.34Å; K219-E227 WeakPolarHBondContact CE-OE2 3.41Å; K219-E227 IonicContact NZ-OE1 3.7Å; K219-E227 PolarHBondContact NZ-OE1 3.38Å; K219-E227 IonicContact NZ-OE2 2.69Å; K219-E227 PolarHBondContact NZ-OE2 2.85Å
220	V	69.8	Low	68.8	Low	45 Å²	45	78 Å²	78	27%	0.273	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.2	175.7	-179.5	0	0	0	0	108.6	K218 Y228 T230	K218-V220 HydrophobicContact CD-CG2 4.38Å; K218-V220 HydrophobicContact CG-CG2 4.08Å; V220-Y228 HydrophobicContact CB-CD2 4.45Å; V220-Y228 HydrophobicContact CB-CE2 4.01Å; V220-Y228 HydrophobicContact CG1-CE1 4.46Å; V220-Y228 HydrophobicContact CG1-CE2 4.09Å; V220-Y228 PolarHBondContact N-O 2.94Å; V220-Y228 PolarHBondContact O-N 3.24Å; V220-Y228 VanDerWaalsContact O-N 3.12Å; V220-T230 HydrophobicContact CB-CG2 3.99Å; V220-T230 HydrophobicContact CG2-CG2 3.75Å; V220-T230 WeakPolarHBondContact CG2-OG1 3.38Å
221	G	61.9	Low	69.7	Low	36 Å²	36	78.4 Å²	78.4	37%	0.371	40%	0.4	S	S	.	.			trans	99.9	141.3	-169.1	0	0	0	0	0	111.5
222	G	46.6	Very low	70.2	Confident	42 Å²	42	80.7 Å²	80.7	43%	0.433	41%	0.408	S	S	.	.			trans	-167.6	23.6	-172.9	0	0	0	0	0	116.2
223	Y	41.5	Very low	70.3	Confident	155 Å²	155	79.9 Å²	79.9	61%	0.608	40%	0.404	S	S	*	.	S	Bend	trans	-145.5	-32	-178.4	-105.2	-94.6	0	0	0	116.2	Y117	Y117-Y223 HydrophobicContact CD1-CD2 4.33Å; Y117-Y223 AromaticContact CD1-CE1 3.81Å; Y117-Y223 HydrophobicContact CD1-CE1 3.81Å; Y117-Y223 AromaticContact CD1-CE2 3.5Å; Y117-Y223 HydrophobicContact CD1-CE2 3.5Å; Y117-Y223 AromaticContact CD1-CZ 3.21Å; Y117-Y223 WeakPolarHBondContact CD1-OH 3.39Å; Y117-Y223 AromaticContact CE1-CE2 3.9Å; Y117-Y223 HydrophobicContact CE1-CE2 3.9Å; Y117-Y223 AromaticContact CE1-CZ 3.97Å; Y117-Y223 HydrophobicContact CG-CD1 4.43Å; Y117-Y223 HydrophobicContact CG-CE1 4.05Å; Y117-Y223 HydrophobicContact CG-CE2 4.12Å; Y117-Y223 AromaticContact CG-CZ 3.88Å
224	S	38.1	Very low	70.4	Confident	87 Å²	87	83.5 Å²	83.5	61%	0.608	42%	0.421	S	S	*	.	S	Bend	trans	177.6	17.1	-177.8	21.4	0	0	0	0	113.4
225	R	38.3	Very low	70.2	Confident	211 Å²	211	80.7 Å²	80.7	80%	0.796	41%	0.411	S	S	*	.	S	Bend	trans	-125.4	128.3	173.7	-89.3	179.4	179.7	167.2	0.5	106.7	E227	R225-E227 PolarHBondContact O-N 3.49Å
226	S	50.7	Low	70.3	Confident	91 Å²	91	74.9 Å²	74.9	64%	0.636	39%	0.389	S	S	*	.			trans	-18.1	106.5	171	53.2	0	0	0	0	110.7	Y228	S226-Y228 VanDerWaalsContact O-CD1 3.31Å; S226-Y228 WeakPolarHBondContact O-CD1 3.19Å; S226-Y228 PolarHBondContact O-N 2.73Å
227	E	62.3	Low	70.6	Confident	64 Å²	64	79 Å²	79	30%	0.299	41%	0.406	S	S	.	.			trans	-56.9	133.3	174.8	-58.4	-177.7	150.2	0	0	107.2	P197 K219 R225	P197-E227 WeakPolarHBondContact CB-O 3.25Å; P197-E227 WeakPolarHBondContact CG-O 3.1Å; K219-E227 WeakPolarHBondContact CE-OE1 3.34Å; K219-E227 WeakPolarHBondContact CE-OE2 3.41Å; K219-E227 IonicContact NZ-OE1 3.7Å; K219-E227 PolarHBondContact NZ-OE1 3.38Å; K219-E227 IonicContact NZ-OE2 2.69Å; K219-E227 PolarHBondContact NZ-OE2 2.85Å; R225-E227 PolarHBondContact O-N 3.49Å
228	Y	73.3	Confident	70.7	Confident	119 Å²	119	80.8 Å²	80.8	47%	0.467	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.8	174.6	56.8	-82.6	0	0	0	109.9	V220 S226 T230	V220-Y228 HydrophobicContact CB-CD2 4.45Å; V220-Y228 HydrophobicContact CB-CE2 4.01Å; V220-Y228 HydrophobicContact CG1-CE1 4.46Å; V220-Y228 HydrophobicContact CG1-CE2 4.09Å; V220-Y228 PolarHBondContact N-O 2.94Å; V220-Y228 PolarHBondContact O-N 3.24Å; V220-Y228 VanDerWaalsContact O-N 3.12Å; S226-Y228 VanDerWaalsContact O-CD1 3.31Å; S226-Y228 WeakPolarHBondContact O-CD1 3.19Å; S226-Y228 PolarHBondContact O-N 2.73Å; Y228-T230 HydrophobicContact CD2-CG2 3.4Å; Y228-T230 HydrophobicContact CE2-CG2 3.22Å
229	C	81.8	Confident	71.1	Confident	11 Å²	11	81.3 Å²	81.3	7%	0.074	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123.4	172.2	-63.6	0	0	0	0	107.6	R198 H199 C213 W217 K218	R198-C229 WeakPolarHBondContact O-CB 3.26Å; H199-C229 HydrophobicContact CB-CB 4.19Å; C213-C229 WeakPolarHBondContact CA-SG 3.35Å; C213-C229 HydrophobicContact CB-CB 3.88Å; C213-C229 WeakPolarHBondContact CB-SG 3.37Å; C213-C229 VanDerWaalsContact SG-CA 3.55Å; C213-C229 WeakPolarHBondContact SG-CB 3.31Å; C213-C229 CovalentContact SG-SG 2.04Å; C213-C229 PolarHBondContact SG-SG 3.16Å; W217-C229 HydrophobicContact CB-CB 4Å; W217-C229 HydrophobicContact CD2-CB 4.49Å; W217-C229 HydrophobicContact CE3-CB 4.03Å; W217-C229 VanDerWaalsContact CE3-O 3.25Å; W217-C229 WeakPolarHBondContact CZ3-O 2.88Å; K218-C229 WeakPolarHBondContact O-CA 3.44Å
230	T	85	Confident	72	Confident	35 Å²	35	80.1 Å²	80.1	22%	0.215	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	152.5	169.5	60.3	0	0	0	0	109.6	W217 K218 V220 Y228 H232	W217-T230 CarbonylContact C-O 3.51Å; W217-T230 WeakPolarHBondContact CA-O 3.14Å; K218-T230 VanDerWaalsContact CE-OG1 3.29Å; K218-T230 WeakPolarHBondContact CE-OG1 3.48Å; K218-T230 WeakPolarHBondContact CG-OG1 3.45Å; K218-T230 PolarHBondContact N-O 2.8Å; K218-T230 PolarHBondContact O-N 2.93Å; K218-T230 PolarHBondContact O-OG1 2.77Å; V220-T230 HydrophobicContact CB-CG2 3.99Å; V220-T230 HydrophobicContact CG2-CG2 3.75Å; V220-T230 WeakPolarHBondContact CG2-OG1 3.38Å; Y228-T230 HydrophobicContact CD2-CG2 3.4Å; Y228-T230 HydrophobicContact CE2-CG2 3.22Å; T230-H232 PolarHBondContact O-N 2.87Å
231	L	83.8	Confident	73.1	Confident	54 Å²	54	82.2 Å²	82.2	28%	0.283	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	132.3	176.7	-162.1	68.5	0	0	0	109.7	G216 W217 I236 I239	G216-L231 WeakPolarHBondContact O-CD1 3.37Å; W217-L231 HydrophobicContact CD2-CD1 4.21Å; W217-L231 HydrophobicContact CZ2-CD1 4.03Å; L231-I236 HydrophobicContact CB-CG1 4.25Å; L231-I236 HydrophobicContact CD2-CG1 3.57Å; L231-I236 HydrophobicContact CG-CG1 4.02Å; L231-I239 HydrophobicContact CD2-CD1 3.9Å
232	H	83.8	Confident	74.6	Confident	67 Å²	67	82 Å²	82	31%	0.31	44%	0.435	S	S	.	.			trans	-62.8	138.2	177.7	-166.1	-82	0	0	0	108.6	G216 T230 I234 S235 I236	G216-H232 VanDerWaalsContact O-CB 3.24Å; G216-H232 WeakPolarHBondContact O-CB 3.45Å; G216-H232 PolarHBondContact O-N 3.16Å; T230-H232 PolarHBondContact O-N 2.87Å; H232-I234 VanDerWaalsContact CE1-CD1 3.48Å; H232-I234 WeakPolarHBondContact CE1-CD1 3.47Å; H232-I234 WeakPolarHBondContact ND1-CB 3.5Å; H232-I234 PolarHBondContact ND1-N 3.33Å; H232-I234 PolarHBondContact O-N 3.38Å; H232-I234 VanDerWaalsContact O-N 3.15Å; H232-S235 WeakPolarHBondContact O-CA 3.42Å; H232-S235 WeakPolarHBondContact O-CB 3.41Å; H232-S235 PolarHBondContact O-N 2.95Å; H232-I236 PolarHBondContact O-N 2.87Å
233	P	83.6	Confident	76.8	Confident	62 Å²	62	83 Å²	83	40%	0.403	44%	0.435	S	S	.	.	H	α-helix	trans	-55.1	-37.4	-178.1	19.3	-32.7	0	0	0	112.8	S235 I236 I237	P233-S235 VanDerWaalsContact C-N 3.33Å; P233-S235 PolarHBondContact O-N 3.07Å; P233-I236 WeakPolarHBondContact O-CB 3.4Å; P233-I236 PolarHBondContact O-N 2.96Å; P233-I237 WeakPolarHBondContact O-CG1 3.35Å; P233-I237 PolarHBondContact O-N 3.35Å; P233-I237 VanDerWaalsContact O-N 3.11Å
234	I	83.3	Confident	79.3	Confident	101 Å²	101	79.2 Å²	79.2	52%	0.518	43%	0.429	S	S	.	.	H	α-helix	trans	-60.1	-42	174.5	-59.8	174.6	0	0	0	111.7	H232 I236 I237 L238	H232-I234 VanDerWaalsContact CE1-CD1 3.48Å; H232-I234 WeakPolarHBondContact CE1-CD1 3.47Å; H232-I234 WeakPolarHBondContact ND1-CB 3.5Å; H232-I234 PolarHBondContact ND1-N 3.33Å; H232-I234 PolarHBondContact O-N 3.38Å; H232-I234 VanDerWaalsContact O-N 3.15Å; I234-I236 VanDerWaalsContact C-N 3.3Å; I234-I236 PolarHBondContact O-N 3.22Å; I234-I237 PolarHBondContact O-N 2.86Å; I234-L238 HydrophobicContact CG2-CD1 4.15Å; I234-L238 HydrophobicContact CG2-CG 4.4Å; I234-L238 WeakPolarHBondContact O-CG 3.48Å; I234-L238 PolarHBondContact O-N 3.49Å
235	S	84	Confident	82.1	Confident	21 Å²	21	79.9 Å²	79.9	15%	0.147	43%	0.425	C	S	.	.	H	α-helix	trans	-65.7	-34.8	178.5	-59.4	0	0	0	0	111.9	G216 H232 P233 L238 I239	G216-S235 WeakPolarHBondContact CA-OG 3.44Å; G216-S235 PolarHBondContact O-OG 3.26Å; H232-S235 WeakPolarHBondContact O-CA 3.42Å; H232-S235 WeakPolarHBondContact O-CB 3.41Å; H232-S235 PolarHBondContact O-N 2.95Å; P233-S235 VanDerWaalsContact C-N 3.33Å; P233-S235 PolarHBondContact O-N 3.07Å; S235-L238 PolarHBondContact O-N 3.25Å; S235-I239 WeakPolarHBondContact O-CD1 3.36Å; S235-I239 VanDerWaalsContact O-CG1 3.24Å; S235-I239 WeakPolarHBondContact O-CG1 3.39Å; S235-I239 PolarHBondContact O-N 3.2Å
236	I	84.2	Confident	84.8	Confident	85 Å²	85	75.6 Å²	75.6	44%	0.436	42%	0.415	S	S	.	.	H	α-helix	trans	-60.6	-48.9	172.1	-62.3	169	0	0	0	110	L231 H232 P233 I234 L238 I239 V240	L231-I236 HydrophobicContact CB-CG1 4.25Å; L231-I236 HydrophobicContact CD2-CG1 3.57Å; L231-I236 HydrophobicContact CG-CG1 4.02Å; H232-I236 PolarHBondContact O-N 2.87Å; P233-I236 WeakPolarHBondContact O-CB 3.4Å; P233-I236 PolarHBondContact O-N 2.96Å; I234-I236 VanDerWaalsContact C-N 3.3Å; I234-I236 PolarHBondContact O-N 3.22Å; I236-L238 VanDerWaalsContact C-N 3.34Å; I236-L238 PolarHBondContact O-N 3.13Å; I236-I239 PolarHBondContact O-N 3.23Å; I236-V240 WeakPolarHBondContact O-CG2 3.36Å; I236-V240 PolarHBondContact O-N 3.42Å
237	I	88	Confident	86.9	Confident	100 Å²	100	75.2 Å²	75.2	51%	0.513	41%	0.409	S	S	.	.	H	α-helix	trans	-59.4	-45.4	179.7	-64.6	165.6	0	0	0	110.9	P233 I234 I239 V240 I241	P233-I237 WeakPolarHBondContact O-CG1 3.35Å; P233-I237 PolarHBondContact O-N 3.35Å; P233-I237 VanDerWaalsContact O-N 3.11Å; I234-I237 PolarHBondContact O-N 2.86Å; I237-I239 VanDerWaalsContact C-N 3.35Å; I237-I239 PolarHBondContact O-N 2.88Å; I237-V240 PolarHBondContact O-N 3.47Å; I237-I241 HydrophobicContact CG2-CD1 3.72Å; I237-I241 HydrophobicContact CG2-CG1 4.4Å; I237-I241 WeakPolarHBondContact O-CG1 3.3Å; I237-I241 PolarHBondContact O-N 2.93Å
238	L	89.4	Confident	88.5	Confident	110 Å²	110	75.5 Å²	75.5	58%	0.576	42%	0.415	S	S	*	.	H	α-helix	trans	-62	-40.2	178.6	-70.5	173.6	0	0	0	112.6	I234 S235 I236 I241 G242	I234-L238 HydrophobicContact CG2-CD1 4.15Å; I234-L238 HydrophobicContact CG2-CG 4.4Å; I234-L238 WeakPolarHBondContact O-CG 3.48Å; I234-L238 PolarHBondContact O-N 3.49Å; S235-L238 PolarHBondContact O-N 3.25Å; I236-L238 VanDerWaalsContact C-N 3.34Å; I236-L238 PolarHBondContact O-N 3.13Å; L238-I241 PolarHBondContact O-N 3.34Å; L238-G242 PolarHBondContact O-N 3Å
239	I	89.3	Confident	89.5	Confident	104 Å²	104	74.4 Å²	74.4	53%	0.533	42%	0.417	S	S	.	.	H	α-helix	trans	-66	-40.3	176.9	-68.5	166.1	0	0	0	111	L231 S235 I236 I237 S243	L231-I239 HydrophobicContact CD2-CD1 3.9Å; S235-I239 WeakPolarHBondContact O-CD1 3.36Å; S235-I239 VanDerWaalsContact O-CG1 3.24Å; S235-I239 WeakPolarHBondContact O-CG1 3.39Å; S235-I239 PolarHBondContact O-N 3.2Å; I236-I239 PolarHBondContact O-N 3.23Å; I237-I239 VanDerWaalsContact C-N 3.35Å; I237-I239 PolarHBondContact O-N 2.88Å; I239-S243 WeakPolarHBondContact O-CB 3.48Å; I239-S243 PolarHBondContact O-N 2.85Å; I239-S243 PolarHBondContact O-OG 2.77Å
240	V	92.5	Very high	90.2	Very high	82 Å²	82	77.6 Å²	77.6	50%	0.497	44%	0.436	S	S	.	.	H	α-helix	trans	-65.5	-44.4	177.3	173.3	0	0	0	0	111	I236 I237 S243 T244	I236-V240 WeakPolarHBondContact O-CG2 3.36Å; I236-V240 PolarHBondContact O-N 3.42Å; I237-V240 PolarHBondContact O-N 3.47Å; V240-S243 WeakPolarHBondContact CA-OG 3.45Å; V240-S243 PolarHBondContact O-OG 2.8Å; V240-T244 WeakPolarHBondContact O-CB 3.01Å; V240-T244 PolarHBondContact O-N 3.49Å; V240-T244 PolarHBondContact O-OG1 3.24Å
241	I	93	Very high	90.7	Very high	89 Å²	89	81 Å²	81	46%	0.456	45%	0.452	S	S	.	.	H	α-helix	trans	-65.3	-47.5	178.2	-67.1	169.4	0	0	0	110.2	I237 L238 S243 T244 L245	I237-I241 HydrophobicContact CG2-CD1 3.72Å; I237-I241 HydrophobicContact CG2-CG1 4.4Å; I237-I241 WeakPolarHBondContact O-CG1 3.3Å; I237-I241 PolarHBondContact O-N 2.93Å; L238-I241 PolarHBondContact O-N 3.34Å; I241-S243 PolarHBondContact O-N 3.45Å; I241-T244 PolarHBondContact O-N 3.27Å; I241-L245 HydrophobicContact CG2-CD1 3.97Å; I241-L245 HydrophobicContact CG2-CG 4.4Å; I241-L245 WeakPolarHBondContact O-CG 3.5Å; I241-L245 PolarHBondContact O-N 2.73Å
242	G	93.4	Very high	91.1	Very high	32 Å²	32	82 Å²	82	33%	0.33	46%	0.457	S	S	.	.	H	α-helix	trans	-61.5	-43.5	179.6	0	0	0	0	0	112.8	L238 L245 M246	L238-G242 PolarHBondContact O-N 3Å; G242-L245 PolarHBondContact O-N 3.22Å; G242-M246 WeakPolarHBondContact O-CG 3.31Å; G242-M246 PolarHBondContact O-N 2.81Å
243	S	93.2	Very high	91.6	Very high	62 Å²	62	83.2 Å²	83.2	43%	0.434	47%	0.469	S	S	.	.	H	α-helix	trans	-64.9	-41	175.6	54.8	0	0	0	0	112.2	I239 V240 I241 M246 V247	I239-S243 WeakPolarHBondContact O-CB 3.48Å; I239-S243 PolarHBondContact O-N 2.85Å; I239-S243 PolarHBondContact O-OG 2.77Å; V240-S243 WeakPolarHBondContact CA-OG 3.45Å; V240-S243 PolarHBondContact O-OG 2.8Å; I241-S243 PolarHBondContact O-N 3.45Å; S243-M246 PolarHBondContact O-N 2.83Å; S243-V247 WeakPolarHBondContact O-CG2 3.31Å; S243-V247 PolarHBondContact O-N 2.97Å
244	T	95	Very high	92.1	Very high	77 Å²	77	84.1 Å²	84.1	47%	0.472	47%	0.473	S	S	.	.	H	α-helix	trans	-62.6	-45.2	176.6	-55.3	0	0	0	0	111.6	V240 I241 M246 V247 V248	V240-T244 WeakPolarHBondContact O-CB 3.01Å; V240-T244 PolarHBondContact O-N 3.49Å; V240-T244 PolarHBondContact O-OG1 3.24Å; I241-T244 PolarHBondContact O-N 3.27Å; T244-M246 VanDerWaalsContact C-N 3.35Å; T244-M246 PolarHBondContact O-N 2.95Å; T244-V247 PolarHBondContact O-N 2.99Å; T244-V248 WeakPolarHBondContact O-CG2 3.5Å; T244-V248 PolarHBondContact O-N 2.89Å
245	L	95.7	Very high	92.6	Very high	101 Å²	101	85.2 Å²	85.2	53%	0.529	47%	0.472	S	S	.	.	H	α-helix	trans	-61.9	-40	176.2	-72.3	173.9	0	0	0	112.3	I241 G242 V248 L249	I241-L245 HydrophobicContact CG2-CD1 3.97Å; I241-L245 HydrophobicContact CG2-CG 4.4Å; I241-L245 WeakPolarHBondContact O-CG 3.5Å; I241-L245 PolarHBondContact O-N 2.73Å; G242-L245 PolarHBondContact O-N 3.22Å; L245-V248 PolarHBondContact O-N 2.87Å; L245-L249 WeakPolarHBondContact O-CB 3.2Å; L245-L249 VanDerWaalsContact O-CG 3.32Å; L245-L249 WeakPolarHBondContact O-CG 3.36Å; L245-L249 PolarHBondContact O-N 2.68Å
246	M	95.1	Very high	93	Very high	120 Å²	120	90.1 Å²	90.1	59%	0.591	49%	0.491	S	S	*	.	H	α-helix	trans	-63.9	-39.1	175	-74.9	-62.9	-67.1	0	0	112.4	G242 S243 T244 L249 T250	G242-M246 WeakPolarHBondContact O-CG 3.31Å; G242-M246 PolarHBondContact O-N 2.81Å; S243-M246 PolarHBondContact O-N 2.83Å; T244-M246 VanDerWaalsContact C-N 3.35Å; T244-M246 PolarHBondContact O-N 2.95Å; M246-L249 PolarHBondContact O-N 3.3Å; M246-T250 VanDerWaalsContact O-CG2 3.31Å; M246-T250 WeakPolarHBondContact O-CG2 3.33Å; M246-T250 PolarHBondContact O-N 2.84Å; M246-T250 PolarHBondContact O-OG1 3.24Å
247	V	95.5	Very high	93.2	Very high	83 Å²	83	89.2 Å²	89.2	50%	0.503	49%	0.491	S	S	.	.	H	α-helix	trans	-65.2	-43.6	174.3	173.4	0	0	0	0	110.8	S243 T244 L249 T250 I251	S243-V247 WeakPolarHBondContact O-CG2 3.31Å; S243-V247 PolarHBondContact O-N 2.97Å; T244-V247 PolarHBondContact O-N 2.99Å; V247-L249 PolarHBondContact O-N 3.21Å; V247-T250 WeakPolarHBondContact CA-OG1 3.34Å; V247-T250 PolarHBondContact O-N 2.83Å; V247-T250 PolarHBondContact O-OG1 2.59Å; V247-I251 HydrophobicContact CG1-CD1 3.95Å; V247-I251 VanDerWaalsContact O-CG1 3.28Å; V247-I251 WeakPolarHBondContact O-CG1 3.48Å; V247-I251 PolarHBondContact O-N 3.41Å
248	V	95.5	Very high	93.3	Very high	71 Å²	71	91.1 Å²	91.1	43%	0.43	50%	0.496	S	S	.	.	H	α-helix	trans	-63.2	-44.4	176.6	173.5	0	0	0	0	111.5	T244 L245 T250 I251 L252	T244-V248 WeakPolarHBondContact O-CG2 3.5Å; T244-V248 PolarHBondContact O-N 2.89Å; L245-V248 PolarHBondContact O-N 2.87Å; V248-T250 PolarHBondContact O-N 3.45Å; V248-I251 PolarHBondContact O-N 2.77Å; V248-L252 HydrophobicContact CG1-CD1 4.1Å; V248-L252 HydrophobicContact CG1-CG 4.48Å; V248-L252 WeakPolarHBondContact O-CG 3.44Å; V248-L252 PolarHBondContact O-N 2.83Å
249	L	95.3	Very high	93.2	Very high	96 Å²	96	92.9 Å²	92.9	50%	0.503	50%	0.495	S	S	.	.	H	α-helix	trans	-62.2	-42.1	177.5	-76.1	172	0	0	0	112	L245 M246 V247 L252 V253	L245-L249 WeakPolarHBondContact O-CB 3.2Å; L245-L249 VanDerWaalsContact O-CG 3.32Å; L245-L249 WeakPolarHBondContact O-CG 3.36Å; L245-L249 PolarHBondContact O-N 2.68Å; M246-L249 PolarHBondContact O-N 3.3Å; V247-L249 PolarHBondContact O-N 3.21Å; L249-L252 PolarHBondContact O-N 3.07Å; L249-V253 WeakPolarHBondContact O-CB 3.45Å; L249-V253 VanDerWaalsContact O-CG2 3.28Å; L249-V253 WeakPolarHBondContact O-CG2 3.28Å; L249-V253 PolarHBondContact O-N 3.22Å
250	T	94.9	Very high	93	Very high	78 Å²	78	91.4 Å²	91.4	48%	0.479	49%	0.491	S	S	.	.	H	α-helix	trans	-65.2	-40.6	177.4	49.9	0	0	0	0	111.7	M246 V247 V248 V253 V254	M246-T250 VanDerWaalsContact O-CG2 3.31Å; M246-T250 WeakPolarHBondContact O-CG2 3.33Å; M246-T250 PolarHBondContact O-N 2.84Å; M246-T250 PolarHBondContact O-OG1 3.24Å; V247-T250 WeakPolarHBondContact CA-OG1 3.34Å; V247-T250 PolarHBondContact O-N 2.83Å; V247-T250 PolarHBondContact O-OG1 2.59Å; V248-T250 PolarHBondContact O-N 3.45Å; T250-V253 PolarHBondContact O-N 2.81Å; T250-V254 VanDerWaalsContact O-CG2 3.3Å; T250-V254 WeakPolarHBondContact O-CG2 3.24Å; T250-V254 PolarHBondContact O-N 3.06Å
251	I	95.2	Very high	92.5	Very high	107 Å²	107	92 Å²	92	55%	0.549	49%	0.494	S	S	.	.	H	α-helix	trans	-60.7	-45.6	173.1	-67.1	166.1	0	0	0	111.1	V247 V248 V254 Y255	V247-I251 HydrophobicContact CG1-CD1 3.95Å; V247-I251 VanDerWaalsContact O-CG1 3.28Å; V247-I251 WeakPolarHBondContact O-CG1 3.48Å; V247-I251 PolarHBondContact O-N 3.41Å; V248-I251 PolarHBondContact O-N 2.77Å; I251-V254 PolarHBondContact O-N 3.38Å; I251-Y255 WeakPolarHBondContact O-CB 3.42Å; I251-Y255 PolarHBondContact O-N 3.29Å
252	L	94.3	Very high	91.8	Very high	75 Å²	75	92.5 Å²	92.5	39%	0.393	50%	0.497	S	S	.	.	H	α-helix	trans	-62.6	-45.3	177.5	-73	173	0	0	0	111.8	V248 L249 V254 Y255 F256	V248-L252 HydrophobicContact CG1-CD1 4.1Å; V248-L252 HydrophobicContact CG1-CG 4.48Å; V248-L252 WeakPolarHBondContact O-CG 3.44Å; V248-L252 PolarHBondContact O-N 2.83Å; L249-L252 PolarHBondContact O-N 3.07Å; L252-V254 VanDerWaalsContact C-N 3.33Å; L252-V254 PolarHBondContact O-N 2.96Å; L252-Y255 WeakPolarHBondContact O-CB 3.47Å; L252-Y255 PolarHBondContact O-N 3.23Å; L252-F256 HydrophobicContact CB-CD2 4.38Å; L252-F256 HydrophobicContact CB-CE2 4.46Å; L252-F256 HydrophobicContact CD2-CE2 4.39Å; L252-F256 WeakPolarHBondContact O-CB 3.28Å; L252-F256 WeakPolarHBondContact O-CD2 3.39Å; L252-F256 PolarHBondContact O-N 3.2Å
253	V	94.3	Very high	91.1	Very high	92 Å²	92	93.5 Å²	93.5	56%	0.558	50%	0.497	S	S	*	.	H	α-helix	trans	-60.4	-43.3	177.5	169.9	0	0	0	0	111.1	L249 T250 S257	L249-V253 WeakPolarHBondContact O-CB 3.45Å; L249-V253 VanDerWaalsContact O-CG2 3.28Å; L249-V253 WeakPolarHBondContact O-CG2 3.28Å; L249-V253 PolarHBondContact O-N 3.22Å; T250-V253 PolarHBondContact O-N 2.81Å; V253-S257 VanDerWaalsContact O-CB 3.24Å; V253-S257 WeakPolarHBondContact O-CB 3.42Å; V253-S257 PolarHBondContact O-N 2.83Å; V253-S257 PolarHBondContact O-OG 2.82Å
254	V	93.2	Very high	90.3	Very high	81 Å²	81	96.6 Å²	96.6	49%	0.491	50%	0.503	S	S	.	.	H	α-helix	trans	-63.8	-43.9	175.3	171.8	0	0	0	0	111	T250 I251 L252 S257 K258	T250-V254 VanDerWaalsContact O-CG2 3.3Å; T250-V254 WeakPolarHBondContact O-CG2 3.24Å; T250-V254 PolarHBondContact O-N 3.06Å; I251-V254 PolarHBondContact O-N 3.38Å; L252-V254 VanDerWaalsContact C-N 3.33Å; L252-V254 PolarHBondContact O-N 2.96Å; V254-S257 PolarHBondContact O-N 3.43Å; V254-K258 WeakPolarHBondContact O-CG 3.18Å; V254-K258 PolarHBondContact O-N 3.36Å
255	Y	93.7	Very high	89.3	Confident	124 Å²	124	100.5 Å²	100.5	49%	0.486	51%	0.51	S	S	.	.	H	α-helix	trans	-60.2	-50	177.3	177.6	-94.1	0	0	0	112	I251 L252 K258 R259	I251-Y255 WeakPolarHBondContact O-CB 3.42Å; I251-Y255 PolarHBondContact O-N 3.29Å; L252-Y255 WeakPolarHBondContact O-CB 3.47Å; L252-Y255 PolarHBondContact O-N 3.23Å; Y255-K258 PolarHBondContact O-N 3.15Å; Y255-R259 HydrophobicContact CE1-CG 4.03Å; Y255-R259 PolarHBondContact O-N 3.3Å
256	F	91.7	Very high	88.3	Confident	124 Å²	124	100.3 Å²	100.3	54%	0.544	51%	0.509	S	S	.	.	H	α-helix	trans	-64.5	-41.4	178	-80.7	-66.7	0	0	0	111.9	L252 K258 R259 V260	L252-F256 HydrophobicContact CB-CD2 4.38Å; L252-F256 HydrophobicContact CB-CE2 4.46Å; L252-F256 HydrophobicContact CD2-CE2 4.39Å; L252-F256 WeakPolarHBondContact O-CB 3.28Å; L252-F256 WeakPolarHBondContact O-CD2 3.39Å; L252-F256 PolarHBondContact O-N 3.2Å; F256-K258 VanDerWaalsContact C-N 3.32Å; F256-K258 PolarHBondContact O-N 2.92Å; F256-R259 PolarHBondContact O-N 3.31Å; F256-V260 WeakPolarHBondContact O-CB 3.47Å; F256-V260 VanDerWaalsContact O-CG2 3.32Å; F256-V260 WeakPolarHBondContact O-CG2 3.01Å; F256-V260 PolarHBondContact O-N 3.47Å
257	S	89.9	Confident	87.4	Confident	65 Å²	65	103.5 Å²	103.5	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-60	-42.2	176.4	-61.1	0	0	0	0	111.6	V253 V254 T261	V253-S257 VanDerWaalsContact O-CB 3.24Å; V253-S257 WeakPolarHBondContact O-CB 3.42Å; V253-S257 PolarHBondContact O-N 2.83Å; V253-S257 PolarHBondContact O-OG 2.82Å; V254-S257 PolarHBondContact O-N 3.43Å; S257-T261 WeakPolarHBondContact O-CB 3.12Å; S257-T261 PolarHBondContact O-N 3.29Å; S257-T261 PolarHBondContact O-OG1 3.45Å
258	K	89.6	Confident	86.3	Confident	141 Å²	141	108.2 Å²	108.2	61%	0.613	52%	0.523	S	S	*	.	H	α-helix	trans	-64.7	-47.1	173.6	-73.7	-174.5	177.9	-173.9	0	111.9	V254 Y255 F256 V260 T261 I262	V254-K258 WeakPolarHBondContact O-CG 3.18Å; V254-K258 PolarHBondContact O-N 3.36Å; Y255-K258 PolarHBondContact O-N 3.15Å; F256-K258 VanDerWaalsContact C-N 3.32Å; F256-K258 PolarHBondContact O-N 2.92Å; K258-V260 PolarHBondContact O-N 2.79Å; K258-T261 PolarHBondContact O-N 3.15Å; K258-I262 VanDerWaalsContact O-CG1 3.29Å; K258-I262 WeakPolarHBondContact O-CG1 3.48Å; K258-I262 PolarHBondContact O-N 3.33Å
259	R	87.9	Confident	85.3	Confident	147 Å²	147	108.5 Å²	108.5	56%	0.555	53%	0.525	S	S	*	.	H	α-helix	trans	-57.6	-46.2	177	-101.3	-86	-168	-179.3	-0	112.4	Y255 F256 T261 I262 T263	Y255-R259 HydrophobicContact CE1-CG 4.03Å; Y255-R259 PolarHBondContact O-N 3.3Å; F256-R259 PolarHBondContact O-N 3.31Å; R259-T261 VanDerWaalsContact C-N 3.34Å; R259-I262 PolarHBondContact O-N 3.17Å; R259-T263 WeakPolarHBondContact O-CB 3.46Å; R259-T263 PolarHBondContact O-N 2.81Å; R259-T263 PolarHBondContact O-OG1 3.37Å
260	V	84.4	Confident	84.2	Confident	73 Å²	73	113.4 Å²	113.4	44%	0.442	54%	0.536	S	S	.	.	H	α-helix	trans	-64.4	-41	178	171.9	0	0	0	0	110.8	F256 K258 T263 K264	F256-V260 WeakPolarHBondContact O-CB 3.47Å; F256-V260 VanDerWaalsContact O-CG2 3.32Å; F256-V260 WeakPolarHBondContact O-CG2 3.01Å; F256-V260 PolarHBondContact O-N 3.47Å; K258-V260 PolarHBondContact O-N 2.79Å; V260-T263 PolarHBondContact O-N 3.27Å; V260-K264 HydrophobicContact CG1-CD 4.34Å; V260-K264 WeakPolarHBondContact O-CG 3.23Å; V260-K264 PolarHBondContact O-N 3.21Å
261	T	81	Confident	82.9	Confident	93 Å²	93	112.8 Å²	112.8	57%	0.571	55%	0.546	S	S	*	.	H	α-helix	trans	-62.3	-45.9	176.9	-56.5	0	0	0	0	111.5	S257 K258 R259 T263 K264 Y265	S257-T261 WeakPolarHBondContact O-CB 3.12Å; S257-T261 PolarHBondContact O-N 3.29Å; S257-T261 PolarHBondContact O-OG1 3.45Å; K258-T261 PolarHBondContact O-N 3.15Å; R259-T261 VanDerWaalsContact C-N 3.34Å; T261-T263 VanDerWaalsContact C-N 3.35Å; T261-T263 PolarHBondContact O-N 3.48Å; T261-K264 PolarHBondContact O-N 3.18Å; T261-Y265 WeakPolarHBondContact O-CB 3.41Å; T261-Y265 PolarHBondContact O-N 3.11Å
262	I	80.1	Confident	81.1	Confident	100 Å²	100	116.9 Å²	116.9	51%	0.513	56%	0.56	S	S	.	*	H	α-helix	trans	-62	-42.8	175.7	-67.2	163.9	0	0	0	110.9	K258 R259 K264 Y265 L266	K258-I262 VanDerWaalsContact O-CG1 3.29Å; K258-I262 WeakPolarHBondContact O-CG1 3.48Å; K258-I262 PolarHBondContact O-N 3.33Å; R259-I262 PolarHBondContact O-N 3.17Å; I262-K264 PolarHBondContact O-N 3.02Å; I262-Y265 WeakPolarHBondContact O-CB 3.42Å; I262-Y265 PolarHBondContact O-N 3.09Å; I262-L266 HydrophobicContact CG2-CD1 4.03Å; I262-L266 HydrophobicContact CG2-CG 4.43Å; I262-L266 WeakPolarHBondContact O-CG 3.29Å; I262-L266 PolarHBondContact O-N 3.1Å
263	T	77	Confident	78.8	Confident	54 Å²	54	124.1 Å²	124.1	33%	0.331	59%	0.592	S	S	.	*	H	α-helix	trans	-66.3	-38.7	-179.4	-48.9	0	0	0	0	111.6	R259 V260 T261 Y265 R267	R259-T263 WeakPolarHBondContact O-CB 3.46Å; R259-T263 PolarHBondContact O-N 2.81Å; R259-T263 PolarHBondContact O-OG1 3.37Å; V260-T263 PolarHBondContact O-N 3.27Å; T261-T263 VanDerWaalsContact C-N 3.35Å; T261-T263 PolarHBondContact O-N 3.48Å; T263-Y265 VanDerWaalsContact C-N 3.35Å; T263-R267 PolarHBondContact O-N 2.79Å; T263-R267 VanDerWaalsContact O-N 3.08Å
264	K	76.8	Confident	78	Confident	127 Å²	127	125.7 Å²	125.7	55%	0.552	59%	0.593	S	S	*	*	H	α-helix	trans	-65.9	-36.9	173	-75.9	-177.4	179.3	-179.1	0	112	V260 T261 I262 R268	V260-K264 HydrophobicContact CG1-CD 4.34Å; V260-K264 WeakPolarHBondContact O-CG 3.23Å; V260-K264 PolarHBondContact O-N 3.21Å; T261-K264 PolarHBondContact O-N 3.18Å; I262-K264 PolarHBondContact O-N 3.02Å; K264-R268 PolarHBondContact O-N 2.78Å
265	Y	75.3	Confident	77.2	Confident	159 Å²	159	128.1 Å²	128.1	62%	0.624	60%	0.599	S	S	*	*	H	α-helix	trans	-64.2	-49	175	-175.1	-95.8	0	0	0	111.1	T261 I262 T263 R267 R268 V269	T261-Y265 WeakPolarHBondContact O-CB 3.41Å; T261-Y265 PolarHBondContact O-N 3.11Å; I262-Y265 WeakPolarHBondContact O-CB 3.42Å; I262-Y265 PolarHBondContact O-N 3.09Å; T263-Y265 VanDerWaalsContact C-N 3.35Å; Y265-R267 PolarHBondContact O-N 3.3Å; Y265-R268 WeakPolarHBondContact O-CB 3.41Å; Y265-R268 PolarHBondContact O-N 3.46Å; Y265-R268 VanDerWaalsContact O-N 3.12Å; Y265-V269 HydrophobicContact CD1-CG2 4.33Å; Y265-V269 HydrophobicContact CE1-CG2 4.03Å; Y265-V269 WeakPolarHBondContact O-CG2 3.37Å; Y265-V269 PolarHBondContact O-N 3.25Å; Y265-V269 VanDerWaalsContact O-N 3.12Å
266	L	74.4	Confident	76.3	Confident	97 Å²	97	128.3 Å²	128.3	51%	0.508	61%	0.605	S	S	.	*	H	α-helix	trans	-62.5	-39.1	179.1	-70.5	172.1	0	0	0	113.3	I262 R268 V269 R270	I262-L266 HydrophobicContact CG2-CD1 4.03Å; I262-L266 HydrophobicContact CG2-CG 4.43Å; I262-L266 WeakPolarHBondContact O-CG 3.29Å; I262-L266 PolarHBondContact O-N 3.1Å; L266-R268 VanDerWaalsContact C-N 3.33Å; L266-R268 PolarHBondContact O-N 3.43Å; L266-V269 PolarHBondContact O-N 3.13Å; L266-R270 PolarHBondContact O-N 2.87Å
267	R	74.8	Confident	75.3	Confident	186 Å²	186	128.5 Å²	128.5	70%	0.702	61%	0.608	S	S	*	*	H	α-helix	trans	-64.2	-36.4	173.9	-75.2	-170.6	-150.4	159.6	4.6	112.8	T263 Y265 V269 G271	T263-R267 PolarHBondContact O-N 2.79Å; T263-R267 VanDerWaalsContact O-N 3.08Å; Y265-R267 PolarHBondContact O-N 3.3Å; R267-V269 VanDerWaalsContact C-N 3.33Å; R267-G271 PolarHBondContact O-N 2.95Å; R267-G271 VanDerWaalsContact O-N 3.07Å
268	R	72.3	Confident	74.4	Confident	183 Å²	183	132.5 Å²	132.5	69%	0.691	62%	0.618	S	S	*	*	H	α-helix	trans	-68	-33	177.3	-101.5	-170.6	-100.7	166.5	-10.1	112.8	K264 Y265 L266	K264-R268 PolarHBondContact O-N 2.78Å; Y265-R268 WeakPolarHBondContact O-CB 3.41Å; Y265-R268 PolarHBondContact O-N 3.46Å; Y265-R268 VanDerWaalsContact O-N 3.12Å; L266-R268 VanDerWaalsContact C-N 3.33Å; L266-R268 PolarHBondContact O-N 3.43Å
269	V	75	Confident	73.4	Confident	76 Å²	76	131.9 Å²	131.9	46%	0.461	62%	0.618	S	S	.	*	H	α-helix	trans	-72	-45.3	175.5	177.9	0	0	0	0	110.3	Y265 L266 R267 G271 K272	Y265-V269 HydrophobicContact CD1-CG2 4.33Å; Y265-V269 HydrophobicContact CE1-CG2 4.03Å; Y265-V269 WeakPolarHBondContact O-CG2 3.37Å; Y265-V269 PolarHBondContact O-N 3.25Å; Y265-V269 VanDerWaalsContact O-N 3.12Å; L266-V269 PolarHBondContact O-N 3.13Å; R267-V269 VanDerWaalsContact C-N 3.33Å; V269-G271 VanDerWaalsContact C-N 3.35Å; V269-G271 PolarHBondContact O-N 3.49Å; V269-K272 PolarHBondContact O-N 3.13Å
270	R	72.6	Confident	72.4	Confident	199 Å²	199	130.9 Å²	130.9	75%	0.751	62%	0.623	S	S	*	*	H	α-helix	trans	-72.6	-21.7	-177.7	-160.5	179.9	-69.8	167.1	-4.5	114.7	L266 K272	L266-R270 PolarHBondContact O-N 2.87Å; R270-K272 VanDerWaalsContact C-N 3.29Å
271	G	66.4	Low	71.5	Confident	66 Å²	66	135.3 Å²	135.3	68%	0.68	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	7.6	175.7	0	0	0	0	0	114.7	R267 V269	R267-G271 PolarHBondContact O-N 2.95Å; R267-G271 VanDerWaalsContact O-N 3.07Å; V269-G271 VanDerWaalsContact C-N 3.35Å; V269-G271 PolarHBondContact O-N 3.49Å
272	K	57.9	Low	70.7	Confident	192 Å²	192	138.8 Å²	138.8	84%	0.835	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	2.4	179.1	-81.5	-168.5	172.9	-168.7	0	113.7	V269 R270	V269-K272 PolarHBondContact O-N 3.13Å; R270-K272 VanDerWaalsContact C-N 3.29Å
273	E	45.5	Very low	69.8	Low	227 Å²	227	142.4 Å²	142.4	100%	1.061	65%	0.654	S	S	*	*			trans	-100.3	0	164	-73.2	179.5	152	0	0	108.9

Retrieved 273 of 273 residues in 214.2 ms (Link to these results)

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