A0A3Q0KJ24_SCHMA Loading...

Family C78 non-peptidase homologue (C78 family)

AlphaFold DB , UniProt , Accession A0A3Q0KJ24, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 370 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	31.9	Very low	29	Very low	246 Å²	246	158.9 Å²	158.9	100%	1.212	80%	0.803	S	S	*	*				0	93.2	0	-70.4	177.2	179.6	0	0	107.3	S3	M1-S3 PolarHBondContact O-N 2.96Å
2	S	30.9	Very low	29.5	Very low	100 Å²	100	156.2 Å²	156.2	70%	0.699	80%	0.801	S	S	*	*			trans	-77.2	101.8	171	47.1	0	0	0	0	107.6	W4	S2-W4 PolarHBondContact O-N 3.28Å
3	S	24.6	Very low	29.9	Very low	111 Å²	111	155.1 Å²	155.1	78%	0.776	79%	0.79	S	S	*	*			trans	-77.1	108.3	168.9	68.7	0	0	0	0	107.8	M1 A5	M1-S3 PolarHBondContact O-N 2.96Å; S3-A5 PolarHBondContact O-N 2.84Å; S3-A5 VanDerWaalsContact O-N 3.13Å
4	W	25.9	Very low	30.5	Very low	231 Å²	231	156.8 Å²	156.8	88%	0.875	79%	0.793	S	S	*	*			trans	-71.1	102.8	164.5	-67.9	96.2	0	0	0	107.1	S2 V6	S2-W4 PolarHBondContact O-N 3.28Å; W4-V6 PolarHBondContact O-N 2.95Å
5	A	27	Very low	31	Very low	86 Å²	86	150.7 Å²	150.7	71%	0.711	78%	0.776	S	S	*	*			trans	-77.9	104.7	172.5	0	0	0	0	0	107.6	S3 T7	S3-A5 PolarHBondContact O-N 2.84Å; S3-A5 VanDerWaalsContact O-N 3.13Å; A5-T7 PolarHBondContact O-N 3.09Å
6	V	30	Very low	31.9	Very low	107 Å²	107	146.2 Å²	146.2	65%	0.648	75%	0.754	S	S	*	*			trans	-61.5	110.3	164.9	179.6	0	0	0	0	106.3	W4 R8	W4-V6 PolarHBondContact O-N 2.95Å; V6-R8 PolarHBondContact O-N 3.05Å
7	T	29	Very low	32.8	Very low	126 Å²	126	141.2 Å²	141.2	77%	0.773	72%	0.724	S	S	*	*			trans	-60.5	105	176	29.5	0	0	0	0	109.1	A5 R9	A5-T7 PolarHBondContact O-N 3.09Å; T7-R9 PolarHBondContact O-N 3.42Å; T7-R9 VanDerWaalsContact O-N 3.09Å
8	R	25.3	Very low	33.5	Very low	219 Å²	219	136.6 Å²	136.6	83%	0.826	72%	0.717	S	S	*	*			trans	-54.8	111.4	167.5	-84.9	-173.7	175.7	-178.6	-1.6	108.9	V6	V6-R8 PolarHBondContact O-N 3.05Å
9	R	28.4	Very low	34.8	Very low	232 Å²	232	130.1 Å²	130.1	88%	0.875	68%	0.684	S	S	*	*			trans	-88.1	151.7	157.1	-80.2	-173	178.3	178.7	2	109	T7	T7-R9 PolarHBondContact O-N 3.42Å; T7-R9 VanDerWaalsContact O-N 3.09Å
10	D	30.4	Very low	36.4	Very low	124 Å²	124	124.5 Å²	124.5	66%	0.663	65%	0.654	S	S	*	*			trans	-29.7	133.9	-166.6	-138	-26.8	0	0	0	117.6	T12 Q13	D10-T12 PolarHBondContact O-N 3.32Å; D10-Q13 PolarHBondContact O-N 2.97Å
11	E	35.7	Very low	38.2	Very low	166 Å²	166	120.6 Å²	120.6	78%	0.776	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	0.1	-173.1	-66.1	-178.2	160.8	0	0	114.8
12	T	35.2	Very low	40.4	Very low	126 Å²	126	109.7 Å²	109.7	77%	0.773	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-6.2	-176.7	56.6	0	0	0	0	114.6	D10	D10-T12 PolarHBondContact O-N 3.32Å
13	Q	34.5	Very low	42.3	Very low	142 Å²	142	107.9 Å²	107.9	66%	0.664	56%	0.562	S	S	*	*	S	Bend	trans	-91.1	134.8	166.1	-67.8	-174.3	-8.3	0	0	107.9	D10 A15	D10-Q13 PolarHBondContact O-N 2.97Å; Q13-A15 PolarHBondContact O-N 3.13Å
14	E	38.6	Very low	44.5	Very low	179 Å²	179	107.7 Å²	107.7	84%	0.836	55%	0.548	S	S	*	.			trans	-40	123.2	158.3	-81	178.9	159.3	0	0	106.1	D16	E14-D16 VanDerWaalsContact C-N 3.27Å; E14-D16 PolarHBondContact O-N 3.18Å
15	A	37.1	Very low	46.4	Very low	65 Å²	65	101.6 Å²	101.6	54%	0.537	54%	0.537	S	S	.	.			trans	-55.5	94.9	-172.3	0	0	0	0	0	108.9	Q13 Y17	Q13-A15 PolarHBondContact O-N 3.13Å; A15-Y17 HydrophobicContact CB-CD2 4.43Å; A15-Y17 HydrophobicContact CB-CE1 4.24Å; A15-Y17 HydrophobicContact CB-CE2 3.94Å; A15-Y17 WeakPolarHBondContact O-CD2 3.31Å; A15-Y17 WeakPolarHBondContact O-CE2 3.35Å; A15-Y17 PolarHBondContact O-N 3.3Å
16	D	46.4	Very low	48.1	Very low	79 Å²	79	98 Å²	98	42%	0.422	51%	0.506	S	S	.	.			trans	-79.7	87.8	176.1	-169.2	4.4	0	0	0	105	E14 G18 H21 R146	E14-D16 VanDerWaalsContact C-N 3.27Å; E14-D16 PolarHBondContact O-N 3.18Å; D16-G18 PolarHBondContact O-N 2.89Å; D16-H21 IonicContact OD2-CE1 2.83Å; D16-H21 IonicContact OD2-NE2 3.2Å; D16-R146 IonicContact OD1-CZ 3.79Å; D16-R146 IonicContact OD1-NH1 2.75Å; D16-R146 PolarHBondContact OD1-NH1 3.02Å; D16-R146 IonicContact OD1-NH2 3.75Å; D16-R146 PolarHBondContact OD1-NH2 2.76Å
17	Y	46.6	Very low	49.6	Very low	62 Å²	62	97.1 Å²	97.1	24%	0.243	50%	0.504	C	S	.	.			trans	-58.2	81.3	178.4	-65.2	-76.5	0	0	0	109.9	A15 S19 I350 E351 D353	A15-Y17 HydrophobicContact CB-CD2 4.43Å; A15-Y17 HydrophobicContact CB-CE1 4.24Å; A15-Y17 HydrophobicContact CB-CE2 3.94Å; A15-Y17 WeakPolarHBondContact O-CD2 3.31Å; A15-Y17 WeakPolarHBondContact O-CE2 3.35Å; A15-Y17 PolarHBondContact O-N 3.3Å; Y17-S19 PolarHBondContact O-N 3.16Å; Y17-I350 HydrophobicContact CG-CG2 4.44Å; Y17-E351 VanDerWaalsContact CE2-O 3.31Å; Y17-E351 WeakPolarHBondContact CE2-O 3.32Å; Y17-E351 PolarHBondContact OH-O 2.99Å; Y17-E351 VanDerWaalsContact OH-O 3.09Å; Y17-D353 WeakPolarHBondContact CE1-OD1 3.33Å
18	G	45.7	Very low	50.9	Low	58 Å²	58	93.5 Å²	93.5	60%	0.598	48%	0.48	S	S	*	.	S	Bend	trans	46.2	24.1	167.2	0	0	0	0	0	117.1	D16 M20	D16-G18 PolarHBondContact O-N 2.89Å; G18-M20 PolarHBondContact O-N 3.46Å
19	S	58.2	Low	52.3	Low	13 Å²	13	87.2 Å²	87.2	9%	0.091	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-73.2	122.3	-166.1	-175.2	0	0	0	0	109.7	Y17 R146 I231	Y17-S19 PolarHBondContact O-N 3.16Å; S19-R146 VanDerWaalsContact CB-NH1 3.28Å; S19-R146 PolarHBondContact OG-NH1 3.26Å; S19-I231 PolarHBondContact OG-O 3.24Å
20	M	67.4	Low	52.9	Low	18 Å²	18	87.7 Å²	87.7	9%	0.089	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-71.7	132.5	160.6	-61.2	-179.8	-60.9	0	0	107.8	G18 L163 S166 A167 S230 I231	G18-M20 PolarHBondContact O-N 3.46Å; M20-L163 HydrophobicContact CB-CD2 3.51Å; M20-L163 HydrophobicContact CE-CB 4.06Å; M20-L163 HydrophobicContact CE-CD2 4.02Å; M20-L163 WeakPolarHBondContact CE-O 3.49Å; M20-L163 HydrophobicContact CG-CD2 4.46Å; M20-L163 HydrophobicContact SD-CD2 4.21Å; M20-S166 WeakPolarHBondContact SD-CB 3.41Å; M20-S166 PolarHBondContact SD-OG 2.83Å; M20-A167 HydrophobicContact CE-CB 4.06Å; M20-S230 WeakPolarHBondContact CE-OG 3.36Å; M20-S230 PolarHBondContact N-O 2.83Å; M20-I231 HydrophobicContact CB-CG2 4.45Å; M20-I231 WeakPolarHBondContact O-CG2 3.43Å
21	H	73.4	Confident	53.7	Low	42 Å²	42	85 Å²	85	19%	0.194	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-94.6	143.7	-177.9	-58.9	-69.5	0	0	0	111.7	D16 N23 E24 K159	D16-H21 IonicContact OD2-CE1 2.83Å; D16-H21 IonicContact OD2-NE2 3.2Å; H21-N23 WeakPolarHBondContact CB-OD1 3.45Å; H21-N23 PolarHBondContact O-N 3.1Å; H21-E24 HydrophobicContact CB-CG 4.21Å; H21-E24 IonicContact CD2-OE1 2.74Å; H21-E24 PolarHBondContact O-N 2.87Å; H21-K159 PolarHBondContact O-NZ 3.33Å
22	L	78.1	Confident	53.8	Low	17 Å²	17	82.2 Å²	82.2	9%	0.089	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.7	173.8	-62.6	179.8	0	0	0	111.8	E24 L134 L147 F148 P155 K159 L163 I231	L22-E24 VanDerWaalsContact C-N 3.35Å; L22-L134 HydrophobicContact CD1-CD1 4.48Å; L22-L134 HydrophobicContact CD1-CD2 4.03Å; L22-L147 WeakPolarHBondContact CB-O 3.24Å; L22-L147 HydrophobicContact CD1-CB 4.09Å; L22-F148 HydrophobicContact CD1-CD1 3.83Å; L22-F148 HydrophobicContact CD1-CD2 4.45Å; L22-F148 HydrophobicContact CD1-CE1 3.56Å; L22-F148 HydrophobicContact CD1-CE2 4.22Å; L22-F148 HydrophobicContact CD1-CG 4.28Å; L22-F148 HydrophobicContact CD1-CZ 3.76Å; L22-P155 HydrophobicContact CD2-CB 4.43Å; L22-P155 HydrophobicContact CD2-CG 4.03Å; L22-K159 WeakPolarHBondContact O-CE 3.33Å; L22-L163 HydrophobicContact CD2-CD1 3.66Å; L22-I231 HydrophobicContact CD2-CD1 4Å; L22-I231 HydrophobicContact CD2-CG2 4.39Å; L22-I231 HydrophobicContact CG-CD1 4.47Å
23	N	70.5	Confident	54.1	Low	62 Å²	62	82.6 Å²	82.6	33%	0.332	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-13.1	-177	66.7	-0.7	0	0	0	114.4	H21 V151	H21-N23 WeakPolarHBondContact CB-OD1 3.45Å; H21-N23 PolarHBondContact O-N 3.1Å; N23-V151 HydrophobicContact CB-CB 3.91Å; N23-V151 HydrophobicContact CB-CG2 3.91Å
24	E	71.2	Confident	54.4	Low	107 Å²	107	79 Å²	79	50%	0.5	45%	0.447	S	S	.	.	S	Bend	trans	-75.5	141	178.4	-73	177.9	177.2	0	0	110.9	H21 L22 K159	H21-E24 HydrophobicContact CB-CG 4.21Å; H21-E24 IonicContact CD2-OE1 2.74Å; H21-E24 PolarHBondContact O-N 2.87Å; L22-E24 VanDerWaalsContact C-N 3.35Å; E24-K159 WeakPolarHBondContact O-CE 3.43Å; E24-K159 PolarHBondContact O-NZ 2.81Å
25	T	64.9	Low	54.9	Low	104 Å²	104	74.3 Å²	74.3	64%	0.638	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-60.6	131	171.2	-56.5	0	0	0	0	108.4	C27	T25-C27 PolarHBondContact O-N 3.3Å
26	P	63.4	Low	55.5	Low	10 Å²	10	76.4 Å²	76.4	7%	0.065	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-58.9	134.9	178.8	23.7	-32.1	0	0	0	109.9	L28 Q75 K159 A162	P26-L28 HydrophobicContact CB-CD2 3.92Å; P26-L28 HydrophobicContact CB-CG 3.95Å; P26-L28 HydrophobicContact CG-CD1 4.46Å; P26-L28 HydrophobicContact CG-CD2 4.26Å; P26-L28 HydrophobicContact CG-CG 3.92Å; P26-L28 PolarHBondContact O-N 3.06Å; P26-Q75 WeakPolarHBondContact CD-O 3.22Å; P26-K159 HydrophobicContact CB-CD 3.84Å; P26-K159 HydrophobicContact CG-CD 4.27Å; P26-A162 HydrophobicContact CB-CB 3.91Å
27	C	62	Low	56	Low	89 Å²	89	74.9 Å²	74.9	60%	0.601	44%	0.438	S	S	*	.			trans	-69.9	72.7	162.9	-78.6	0	0	0	0	109	T25 Y29	T25-C27 PolarHBondContact O-N 3.3Å; C27-Y29 HydrophobicContact CB-CE1 4.09Å; C27-Y29 PolarHBondContact O-N 3.27Å
28	L	56.1	Low	57.2	Low	50 Å²	50	75.8 Å²	75.8	26%	0.262	45%	0.452	S	S	.	.			trans	-71.3	102.3	171.2	-65.3	-169.6	0	0	0	108.6	P26 R30 V73 A162 V213	P26-L28 HydrophobicContact CB-CD2 3.92Å; P26-L28 HydrophobicContact CB-CG 3.95Å; P26-L28 HydrophobicContact CG-CD1 4.46Å; P26-L28 HydrophobicContact CG-CD2 4.26Å; P26-L28 HydrophobicContact CG-CG 3.92Å; P26-L28 PolarHBondContact O-N 3.06Å; L28-R30 PolarHBondContact O-N 2.79Å; L28-V73 HydrophobicContact CD1-CB 4.32Å; L28-V73 HydrophobicContact CD1-CG1 3.42Å; L28-V73 VanDerWaalsContact CD1-CG1 3.42Å; L28-V73 WeakPolarHBondContact CD1-O 3.35Å; L28-A162 HydrophobicContact CD2-CB 4.28Å; L28-V213 HydrophobicContact CD2-CG1 3.51Å
29	Y	53.7	Low	59.2	Low	86 Å²	86	74.3 Å²	74.3	34%	0.337	43%	0.433	S	S	.	.			trans	-65.7	134.8	171.6	-51.9	-61.6	0	0	0	108.7	C27 L31 L209	C27-Y29 HydrophobicContact CB-CE1 4.09Å; C27-Y29 PolarHBondContact O-N 3.27Å; Y29-L31 PolarHBondContact O-N 3.03Å; Y29-L209 HydrophobicContact CD2-CD1 3.49Å; Y29-L209 VanDerWaalsContact CD2-CD1 3.49Å; Y29-L209 HydrophobicContact CD2-CD2 4.5Å; Y29-L209 HydrophobicContact CE2-CD1 3.68Å; Y29-L209 HydrophobicContact CE2-CD2 3.94Å; Y29-L209 HydrophobicContact CG-CD1 4.08Å
30	R	42.2	Very low	60.9	Low	242 Å²	242	73.8 Å²	73.8	91%	0.913	43%	0.429	S	S	*	.			trans	-63	103.4	170.8	-164.7	-172.8	-73.2	-175.6	-2.1	106.2	L28 T32	L28-R30 PolarHBondContact O-N 2.79Å; R30-T32 PolarHBondContact O-N 3.09Å
31	L	46	Very low	62.2	Low	67 Å²	67	76 Å²	76	35%	0.351	44%	0.439	S	S	.	.			trans	-53.9	124.4	175.1	-70.1	170.1	0	0	0	107.6	Y29 S33 F35 D214	Y29-L31 PolarHBondContact O-N 3.03Å; L31-S33 PolarHBondContact O-N 3.43Å; L31-F35 HydrophobicContact CB-CD2 4.18Å; L31-F35 HydrophobicContact CB-CE2 4.37Å; L31-F35 HydrophobicContact CD2-CD2 3.97Å; L31-F35 HydrophobicContact CD2-CE2 3.56Å; L31-F35 HydrophobicContact CD2-CZ 4.15Å; L31-D214 HydrophobicContact CD1-CB 3.84Å
32	T	38.3	Very low	63.1	Low	108 Å²	108	76.8 Å²	76.8	66%	0.663	45%	0.449	S	S	*	.			trans	-60.2	139.2	171.1	49.9	0	0	0	0	107.3	R30 G34	R30-T32 PolarHBondContact O-N 3.09Å; T32-G34 PolarHBondContact O-N 2.95Å
33	S	40.7	Very low	63.9	Low	135 Å²	135	78 Å²	78	94%	0.944	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	21.4	-172.3	54.8	0	0	0	0	115.1	L31	L31-S33 PolarHBondContact O-N 3.43Å
34	G	41.7	Very low	65.1	Low	66 Å²	66	75.1 Å²	75.1	68%	0.68	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	0.3	-177.3	0	0	0	0	0	115.2	T32 S36	T32-G34 PolarHBondContact O-N 2.95Å; G34-S36 PolarHBondContact O-N 3.09Å
35	F	49.3	Very low	66.2	Low	80 Å²	80	71.7 Å²	71.7	35%	0.351	43%	0.427	S	S	.	.			trans	-71.5	117.5	177.8	-78.9	-82.9	0	0	0	111	L31 G37	L31-F35 HydrophobicContact CB-CD2 4.18Å; L31-F35 HydrophobicContact CB-CE2 4.37Å; L31-F35 HydrophobicContact CD2-CD2 3.97Å; L31-F35 HydrophobicContact CD2-CE2 3.56Å; L31-F35 HydrophobicContact CD2-CZ 4.15Å; F35-G37 PolarHBondContact O-N 2.92Å
36	S	49.7	Very low	67.7	Low	109 Å²	109	74.2 Å²	74.2	76%	0.762	43%	0.425	S	S	*	.			trans	-77.5	-1.4	173.6	43.7	0	0	0	0	113.6	G34	G34-S36 PolarHBondContact O-N 3.09Å
37	G	55.8	Low	69.3	Low	47 Å²	47	77.1 Å²	77.1	49%	0.485	43%	0.434	S	S	.	.	S	Bend	trans	-79.8	149	171.5	0	0	0	0	0	112.4	F35 S39	F35-G37 PolarHBondContact O-N 2.92Å; G37-S39 PolarHBondContact O-N 2.71Å; G37-S39 VanDerWaalsContact O-N 3.13Å
38	C	71.8	Confident	71	Confident	81 Å²	81	72.9 Å²	72.9	55%	0.547	41%	0.406	S	S	.	.			trans	-72	106.7	169.7	-72.1	0	0	0	0	109.2	A40 I43	C38-A40 PolarHBondContact O-N 2.65Å; C38-I43 HydrophobicContact CB-CD1 3.63Å; C38-I43 HydrophobicContact CB-CG1 3.88Å
39	S	89.4	Confident	72.9	Confident	28 Å²	28	74.3 Å²	74.3	20%	0.196	41%	0.411	C	S	.	.			trans	-48	130.7	170.1	145.1	0	0	0	0	110.9	G37 Q41 S42 I43 D214	G37-S39 PolarHBondContact O-N 2.71Å; G37-S39 VanDerWaalsContact O-N 3.13Å; S39-Q41 VanDerWaalsContact C-N 3.28Å; S39-Q41 PolarHBondContact O-N 3.36Å; S39-Q41 PolarHBondContact OG-N 3.36Å; S39-S42 WeakPolarHBondContact CB-OG 3.3Å; S39-S42 WeakPolarHBondContact O-CA 3.49Å; S39-S42 WeakPolarHBondContact O-CB 3.15Å; S39-S42 PolarHBondContact O-N 2.83Å; S39-S42 PolarHBondContact OG-N 3.4Å; S39-S42 VanDerWaalsContact OG-N 3.09Å; S39-S42 PolarHBondContact OG-OG 3.32Å; S39-I43 WeakPolarHBondContact O-CG1 3.39Å; S39-I43 PolarHBondContact O-N 2.66Å; S39-D214 WeakPolarHBondContact CA-O 3.44Å; S39-D214 WeakPolarHBondContact CB-OD2 3.39Å; S39-D214 PolarHBondContact OG-OD2 3.43Å
40	A	93	Very high	75	Confident	2 Å²	2	78.1 Å²	78.1	2%	0.017	43%	0.425	C	S	.	.	H	α-helix	trans	-59.1	-41.7	178.9	0	0	0	0	0	110.9	C38 S42 I43 A44 W119 F123 D214 T216	C38-A40 PolarHBondContact O-N 2.65Å; A40-S42 VanDerWaalsContact C-N 3.3Å; A40-S42 PolarHBondContact O-N 3.24Å; A40-I43 PolarHBondContact O-N 3.33Å; A40-A44 WeakPolarHBondContact O-CB 3.26Å; A40-A44 PolarHBondContact O-N 3.41Å; A40-W119 HydrophobicContact CB-CZ3 4.5Å; A40-F123 HydrophobicContact CB-CZ 4.37Å; A40-D214 PolarHBondContact N-O 2.78Å; A40-D214 PolarHBondContact N-OD1 3.24Å; A40-T216 HydrophobicContact CB-CG2 4.22Å
41	Q	94	Very high	77.7	Confident	63 Å²	63	67.2 Å²	67.2	29%	0.294	39%	0.386	S	S	.	.	H	α-helix	trans	-58.2	-41.3	172.4	-177	-179.3	4.3	0	0	112.2	S39 A44 T45 I69 V73 W158 D214	S39-Q41 VanDerWaalsContact C-N 3.28Å; S39-Q41 PolarHBondContact O-N 3.36Å; S39-Q41 PolarHBondContact OG-N 3.36Å; Q41-A44 PolarHBondContact O-N 3.46Å; Q41-T45 WeakPolarHBondContact O-CB 3.47Å; Q41-T45 PolarHBondContact O-N 3.39Å; Q41-T45 PolarHBondContact O-OG1 2.79Å; Q41-I69 HydrophobicContact CG-CG2 4.06Å; Q41-V73 HydrophobicContact CG-CG2 4.41Å; Q41-W158 HydrophobicContact CB-CZ2 4.45Å; Q41-D214 VanDerWaalsContact CB-OD1 3.3Å; Q41-D214 WeakPolarHBondContact CB-OD1 3.49Å; Q41-D214 PolarHBondContact N-OD1 2.79Å
42	S	93.1	Very high	80.1	Confident	59 Å²	59	67.5 Å²	67.5	41%	0.413	38%	0.384	S	S	.	.	H	α-helix	trans	-67.8	-39.5	178.9	-59.5	0	0	0	0	111.9	S39 A40 R46	S39-S42 WeakPolarHBondContact CB-OG 3.3Å; S39-S42 WeakPolarHBondContact O-CA 3.49Å; S39-S42 WeakPolarHBondContact O-CB 3.15Å; S39-S42 PolarHBondContact O-N 2.83Å; S39-S42 PolarHBondContact OG-N 3.4Å; S39-S42 VanDerWaalsContact OG-N 3.09Å; S39-S42 PolarHBondContact OG-OG 3.32Å; A40-S42 VanDerWaalsContact C-N 3.3Å; A40-S42 PolarHBondContact O-N 3.24Å; S42-R46 WeakPolarHBondContact O-CB 3.24Å; S42-R46 PolarHBondContact O-N 3.42Å
43	I	94.9	Very high	82.9	Confident	44 Å²	44	69.3 Å²	69.3	23%	0.226	39%	0.385	C	S	.	.	H	α-helix	trans	-63.6	-48.9	174.2	-67.2	166.6	0	0	0	110.5	C38 S39 A40 T45 R46 W47 W119 T216	C38-I43 HydrophobicContact CB-CD1 3.63Å; C38-I43 HydrophobicContact CB-CG1 3.88Å; S39-I43 WeakPolarHBondContact O-CG1 3.39Å; S39-I43 PolarHBondContact O-N 2.66Å; A40-I43 PolarHBondContact O-N 3.33Å; I43-T45 VanDerWaalsContact C-N 3.34Å; I43-T45 PolarHBondContact O-N 2.82Å; I43-R46 PolarHBondContact O-N 3Å; I43-W47 WeakPolarHBondContact O-CB 3.27Å; I43-W47 PolarHBondContact O-N 2.97Å; I43-W119 HydrophobicContact CG2-CB 4.18Å; I43-W119 HydrophobicContact CG2-CE3 4.31Å; I43-T216 HydrophobicContact CD1-CG2 3.6Å
44	A	95.8	Very high	85.6	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-57.4	-47.9	177.8	0	0	0	0	0	111.4	A40 Q41 R46 W47 I48 I69 W119	A40-A44 WeakPolarHBondContact O-CB 3.26Å; A40-A44 PolarHBondContact O-N 3.41Å; Q41-A44 PolarHBondContact O-N 3.46Å; A44-R46 PolarHBondContact O-N 3.21Å; A44-W47 PolarHBondContact O-N 3.4Å; A44-I48 WeakPolarHBondContact O-CG1 3.09Å; A44-I48 PolarHBondContact O-N 3.42Å; A44-I69 HydrophobicContact CB-CD1 3.96Å; A44-I69 HydrophobicContact CB-CG1 4.41Å; A44-W119 HydrophobicContact CB-CD2 3.66Å; A44-W119 HydrophobicContact CB-CE3 3.64Å; A44-W119 HydrophobicContact CB-CG 4.42Å; A44-W119 HydrophobicContact CB-CH2 3.82Å; A44-W119 HydrophobicContact CB-CZ2 3.81Å; A44-W119 HydrophobicContact CB-CZ3 3.71Å
45	T	95.3	Very high	88.2	Confident	36 Å²	36	71.5 Å²	71.5	22%	0.221	37%	0.37	C	S	.	.	H	α-helix	trans	-60.5	-47.9	-179.9	-57.5	0	0	0	0	111	Q41 I43 W47 I48 E49 I66	Q41-T45 WeakPolarHBondContact O-CB 3.47Å; Q41-T45 PolarHBondContact O-N 3.39Å; Q41-T45 PolarHBondContact O-OG1 2.79Å; I43-T45 VanDerWaalsContact C-N 3.34Å; I43-T45 PolarHBondContact O-N 2.82Å; T45-W47 VanDerWaalsContact C-N 3.29Å; T45-W47 PolarHBondContact O-N 3.37Å; T45-I48 PolarHBondContact O-N 3.36Å; T45-E49 HydrophobicContact CG2-CG 4.44Å; T45-E49 WeakPolarHBondContact O-CB 3.33Å; T45-E49 WeakPolarHBondContact O-CG 3.3Å; T45-E49 PolarHBondContact O-N 2.82Å; T45-I66 HydrophobicContact CG2-CD1 3.98Å
46	R	96.1	Very high	90.5	Very high	156 Å²	156	73.4 Å²	73.4	59%	0.589	38%	0.384	S	S	*	.	H	α-helix	trans	-62.3	-36.6	177.8	-172.5	-179.2	-63.1	146.1	2.5	112.5	S42 I43 A44 R50	S42-R46 WeakPolarHBondContact O-CB 3.24Å; S42-R46 PolarHBondContact O-N 3.42Å; I43-R46 PolarHBondContact O-N 3Å; A44-R46 PolarHBondContact O-N 3.21Å; R46-R50 VanDerWaalsContact O-CB 3.32Å; R46-R50 WeakPolarHBondContact O-CB 3.16Å; R46-R50 PolarHBondContact O-N 3.43Å
47	W	96.5	Very high	92.6	Very high	72 Å²	72	70 Å²	70	27%	0.273	36%	0.357	S	S	.	.	H	α-helix	trans	-67.8	-41.2	176.1	176	87.2	0	0	0	112.2	I43 A44 T45 S51 P118 W119	I43-W47 WeakPolarHBondContact O-CB 3.27Å; I43-W47 PolarHBondContact O-N 2.97Å; A44-W47 PolarHBondContact O-N 3.4Å; T45-W47 VanDerWaalsContact C-N 3.29Å; T45-W47 PolarHBondContact O-N 3.37Å; W47-S51 WeakPolarHBondContact O-CB 3.5Å; W47-S51 PolarHBondContact O-N 2.75Å; W47-S51 PolarHBondContact O-OG 3.18Å; W47-P118 HydrophobicContact CZ2-CB 4.43Å; W47-P118 HydrophobicContact CZ2-CG 4.06Å; W47-W119 HydrophobicContact CB-CB 3.65Å; W47-W119 HydrophobicContact CB-CG 4.28Å; W47-W119 HydrophobicContact CD2-CB 4.09Å; W47-W119 AromaticContact CD2-CD1 3.7Å; W47-W119 HydrophobicContact CD2-CG 4.24Å; W47-W119 AromaticContact CE3-CD1 3.44Å; W47-W119 VanDerWaalsContact CE3-CD1 3.44Å; W47-W119 HydrophobicContact CE3-CG 4.27Å; W47-W119 HydrophobicContact CG-CB 3.63Å; W47-W119 HydrophobicContact CG-CG 4.23Å; W47-W119 AromaticContact CZ3-CD1 3.93Å
48	I	97.2	Very high	94.6	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-63.6	-47.2	175.2	-67.6	165.3	0	0	0	110.4	A44 T45 R50 S51 F52 L57 Y62 R65 I66 I69	A44-I48 WeakPolarHBondContact O-CG1 3.09Å; A44-I48 PolarHBondContact O-N 3.42Å; T45-I48 PolarHBondContact O-N 3.36Å; I48-R50 PolarHBondContact O-N 2.83Å; I48-S51 PolarHBondContact O-N 2.76Å; I48-F52 PolarHBondContact O-N 3.34Å; I48-L57 HydrophobicContact CG2-CD1 4.19Å; I48-Y62 HydrophobicContact CG2-CD2 3.5Å; I48-Y62 VanDerWaalsContact CG2-CD2 3.5Å; I48-Y62 HydrophobicContact CG2-CE2 3.82Å; I48-Y62 HydrophobicContact CG2-CG 4.49Å; I48-R65 HydrophobicContact CD1-CB 3.87Å; I48-R65 HydrophobicContact CG1-CB 4.22Å; I48-R65 HydrophobicContact CG2-CB 4.11Å; I48-I66 HydrophobicContact CB-CD1 4.28Å; I48-I66 HydrophobicContact CD1-CD1 4.13Å; I48-I66 HydrophobicContact CG2-CD1 3.96Å; I48-I66 HydrophobicContact CG2-CG1 4.1Å; I48-I69 HydrophobicContact CD1-CG1 3.82Å
49	E	97.5	Very high	95.8	Very high	79 Å²	79	72 Å²	72	37%	0.369	35%	0.353	S	S	.	.	H	α-helix	trans	-56.1	-50.9	176.3	-74.1	169.6	172.2	0	0	111.1	T45 S51 F52 E53 Y62	T45-E49 HydrophobicContact CG2-CG 4.44Å; T45-E49 WeakPolarHBondContact O-CB 3.33Å; T45-E49 WeakPolarHBondContact O-CG 3.3Å; T45-E49 PolarHBondContact O-N 2.82Å; E49-S51 VanDerWaalsContact C-N 3.31Å; E49-S51 PolarHBondContact O-N 3.29Å; E49-F52 WeakPolarHBondContact O-CB 3.42Å; E49-F52 PolarHBondContact O-N 3.18Å; E49-F52 VanDerWaalsContact O-N 3.14Å; E49-E53 WeakPolarHBondContact O-CG 3.44Å; E49-E53 PolarHBondContact O-N 3.39Å; E49-Y62 HydrophobicContact CG-CE2 4Å
50	R	97.7	Very high	96.2	Very high	167 Å²	167	77.3 Å²	77.3	63%	0.63	38%	0.377	S	S	*	.	H	α-helix	trans	-62.3	-37.6	178	-172.3	173	-175.1	157.1	2.4	112.7	R46 I48 F52 E53 L54	R46-R50 VanDerWaalsContact O-CB 3.32Å; R46-R50 WeakPolarHBondContact O-CB 3.16Å; R46-R50 PolarHBondContact O-N 3.43Å; I48-R50 PolarHBondContact O-N 2.83Å; R50-F52 VanDerWaalsContact C-N 3.3Å; R50-F52 PolarHBondContact O-N 2.9Å; R50-E53 PolarHBondContact O-N 2.84Å; R50-L54 HydrophobicContact CG-CD1 4.07Å; R50-L54 HydrophobicContact CG-CG 4.47Å; R50-L54 WeakPolarHBondContact O-CB 3.44Å; R50-L54 VanDerWaalsContact O-CG 3.27Å; R50-L54 WeakPolarHBondContact O-CG 3.46Å; R50-L54 PolarHBondContact O-N 3.12Å
51	S	97.1	Very high	96.4	Very high	13 Å²	13	79.1 Å²	79.1	9%	0.091	39%	0.386	C	S	.	.	H	α-helix	trans	-66.3	-34.9	177.3	-61.3	0	0	0	0	111.7	W47 I48 E49 N56 L57	W47-S51 WeakPolarHBondContact O-CB 3.5Å; W47-S51 PolarHBondContact O-N 2.75Å; W47-S51 PolarHBondContact O-OG 3.18Å; I48-S51 PolarHBondContact O-N 2.76Å; E49-S51 VanDerWaalsContact C-N 3.31Å; E49-S51 PolarHBondContact O-N 3.29Å; S51-N56 WeakPolarHBondContact O-CA 3.33Å; S51-N56 WeakPolarHBondContact O-CB 3.41Å; S51-N56 PolarHBondContact O-N 3.23Å; S51-L57 PolarHBondContact O-N 2.74Å
52	F	97.6	Very high	96.5	Very high	73 Å²	73	78.7 Å²	78.7	32%	0.32	38%	0.382	S	S	.	.	H	α-helix	trans	-68.9	-45.7	172.3	177.6	-111.2	0	0	0	112.1	I48 E49 R50 L54 N55 L57 L59 Y62	I48-F52 PolarHBondContact O-N 3.34Å; E49-F52 WeakPolarHBondContact O-CB 3.42Å; E49-F52 PolarHBondContact O-N 3.18Å; E49-F52 VanDerWaalsContact O-N 3.14Å; R50-F52 VanDerWaalsContact C-N 3.3Å; R50-F52 PolarHBondContact O-N 2.9Å; F52-L54 PolarHBondContact O-N 3.45Å; F52-N55 WeakPolarHBondContact O-CA 3.19Å; F52-N55 PolarHBondContact O-N 2.83Å; F52-L57 HydrophobicContact CB-CB 4.47Å; F52-L57 WeakPolarHBondContact CD2-O 3.36Å; F52-L59 HydrophobicContact CE2-CB 4.15Å; F52-L59 HydrophobicContact CE2-CD1 4.37Å; F52-L59 HydrophobicContact CZ-CD1 4.09Å; F52-Y62 HydrophobicContact CB-CD2 3.72Å; F52-Y62 HydrophobicContact CB-CE2 4.49Å; F52-Y62 HydrophobicContact CB-CG 4.16Å; F52-Y62 HydrophobicContact CD1-CD2 4.43Å; F52-Y62 HydrophobicContact CD1-CG 4.47Å; F52-Y62 HydrophobicContact CD2-CG 4.27Å; F52-Y62 HydrophobicContact CG-CD2 4.03Å; F52-Y62 HydrophobicContact CG-CG 4.04Å
53	E	97.6	Very high	96.7	Very high	146 Å²	146	80.8 Å²	80.8	68%	0.682	39%	0.386	S	S	*	.	H	α-helix	trans	-59.1	-34.8	176.4	-71.3	173.4	173.6	0	0	113	E49 R50 N55	E49-E53 WeakPolarHBondContact O-CG 3.44Å; E49-E53 PolarHBondContact O-N 3.39Å; R50-E53 PolarHBondContact O-N 2.84Å; E53-N55 PolarHBondContact O-N 3.01Å
54	L	97.7	Very high	96.8	Very high	102 Å²	102	84 Å²	84	53%	0.534	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	5.8	175.9	-66.4	175	0	0	0	113.6	R50 F52 N56	R50-L54 HydrophobicContact CG-CD1 4.07Å; R50-L54 HydrophobicContact CG-CG 4.47Å; R50-L54 WeakPolarHBondContact O-CB 3.44Å; R50-L54 VanDerWaalsContact O-CG 3.27Å; R50-L54 WeakPolarHBondContact O-CG 3.46Å; R50-L54 PolarHBondContact O-N 3.12Å; F52-L54 PolarHBondContact O-N 3.45Å; L54-N56 PolarHBondContact O-N 2.68Å
55	N	96.2	Very high	96.9	Very high	144 Å²	144	85 Å²	85	77%	0.77	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	21.8	-175.5	-56.8	-67.9	0	0	0	114.7	F52 E53 L57	F52-N55 WeakPolarHBondContact O-CA 3.19Å; F52-N55 PolarHBondContact O-N 2.83Å; E53-N55 PolarHBondContact O-N 3.01Å; N55-L57 VanDerWaalsContact C-N 3.29Å
56	N	95.6	Very high	96.9	Very high	121 Å²	121	84 Å²	84	65%	0.647	39%	0.392	S	S	*	.	S	Bend	trans	-80.2	-13.7	173.7	-64.4	-23.5	0	0	0	112.3	S51 L54	S51-N56 WeakPolarHBondContact O-CA 3.33Å; S51-N56 WeakPolarHBondContact O-CB 3.41Å; S51-N56 PolarHBondContact O-N 3.23Å; L54-N56 PolarHBondContact O-N 2.68Å
57	L	95.7	Very high	96.9	Very high	36 Å²	36	82.9 Å²	82.9	19%	0.188	39%	0.393	C	S	.	.	S	Bend	trans	-127.5	141.4	176.9	-65.1	176.4	0	0	0	110.4	I48 S51 F52 N55 D61	I48-L57 HydrophobicContact CG2-CD1 4.19Å; S51-L57 PolarHBondContact O-N 2.74Å; F52-L57 HydrophobicContact CB-CB 4.47Å; F52-L57 WeakPolarHBondContact CD2-O 3.36Å; N55-L57 VanDerWaalsContact C-N 3.29Å; L57-D61 HydrophobicContact CB-CB 4.29Å; L57-D61 HydrophobicContact CD2-CB 4.06Å
58	T	97.4	Very high	96.8	Very high	71 Å²	71	81.1 Å²	81.1	44%	0.436	39%	0.388	S	S	.	.			trans	-73.7	165.1	166.8	73.1	0	0	0	0	110.6	M60 D61 Y62	T58-M60 PolarHBondContact O-N 2.73Å; T58-M60 PolarHBondContact OG1-N 2.86Å; T58-D61 WeakPolarHBondContact CB-OD2 3.36Å; T58-D61 WeakPolarHBondContact CG2-OD2 3.33Å; T58-D61 PolarHBondContact N-OD2 2.95Å; T58-D61 PolarHBondContact O-N 2.85Å; T58-D61 PolarHBondContact OG1-N 2.77Å; T58-D61 VanDerWaalsContact OG1-N 3.17Å; T58-D61 PolarHBondContact OG1-OD2 3.32Å; T58-Y62 WeakPolarHBondContact O-CB 3.29Å; T58-Y62 PolarHBondContact O-N 2.85Å
59	L	97.2	Very high	96.6	Very high	99 Å²	99	81.5 Å²	81.5	52%	0.518	39%	0.39	S	S	.	.	H	α-helix	trans	-57.7	-38.5	174.7	178.6	62.4	0	0	0	112.2	F52 Y62 Q63	F52-L59 HydrophobicContact CE2-CB 4.15Å; F52-L59 HydrophobicContact CE2-CD1 4.37Å; F52-L59 HydrophobicContact CZ-CD1 4.09Å; L59-Y62 HydrophobicContact CD1-CD1 4.48Å; L59-Q63 HydrophobicContact CD1-CG 4.45Å; L59-Q63 WeakPolarHBondContact O-CG 3.47Å; L59-Q63 PolarHBondContact O-N 2.83Å
60	M	97.6	Very high	96.4	Very high	140 Å²	140	84.5 Å²	84.5	69%	0.69	40%	0.398	S	S	*	.	H	α-helix	trans	-67.3	-42.6	177.8	-66.6	-173	-64.5	0	0	111.4	T58 Q63 R64	T58-M60 PolarHBondContact O-N 2.73Å; T58-M60 PolarHBondContact OG1-N 2.86Å; M60-Q63 PolarHBondContact O-N 2.89Å; M60-R64 WeakPolarHBondContact O-CB 3.49Å; M60-R64 PolarHBondContact O-N 3.37Å
61	D	96.2	Very high	96	Very high	41 Å²	41	83.3 Å²	83.3	22%	0.219	39%	0.393	C	S	.	.	H	α-helix	trans	-65	-44.5	177.3	-59.6	-47.5	0	0	0	111.3	L57 T58 Q63 R64 R65	L57-D61 HydrophobicContact CB-CB 4.29Å; L57-D61 HydrophobicContact CD2-CB 4.06Å; T58-D61 WeakPolarHBondContact CB-OD2 3.36Å; T58-D61 WeakPolarHBondContact CG2-OD2 3.33Å; T58-D61 PolarHBondContact N-OD2 2.95Å; T58-D61 PolarHBondContact O-N 2.85Å; T58-D61 PolarHBondContact OG1-N 2.77Å; T58-D61 VanDerWaalsContact OG1-N 3.17Å; T58-D61 PolarHBondContact OG1-OD2 3.32Å; D61-Q63 PolarHBondContact O-N 2.78Å; D61-R64 PolarHBondContact O-N 2.85Å; D61-R64 IonicContact OD1-CZ 3.7Å; D61-R64 IonicContact OD1-NH1 3.54Å; D61-R64 PolarHBondContact OD1-NH1 2.98Å; D61-R64 IonicContact OD1-NH2 2.72Å; D61-R64 PolarHBondContact OD1-NH2 3.44Å; D61-R65 WeakPolarHBondContact O-CB 3.2Å; D61-R65 WeakPolarHBondContact O-CG 3.36Å; D61-R65 PolarHBondContact O-N 2.8Å
62	Y	97.1	Very high	95.8	Very high	54 Å²	54	83 Å²	83	21%	0.212	39%	0.391	C	S	.	.	H	α-helix	trans	-53.8	-52.6	174.2	168.5	-98.7	0	0	0	111.6	I48 E49 F52 T58 L59 R64 R65 I66	I48-Y62 HydrophobicContact CG2-CD2 3.5Å; I48-Y62 VanDerWaalsContact CG2-CD2 3.5Å; I48-Y62 HydrophobicContact CG2-CE2 3.82Å; I48-Y62 HydrophobicContact CG2-CG 4.49Å; E49-Y62 HydrophobicContact CG-CE2 4Å; F52-Y62 HydrophobicContact CB-CD2 3.72Å; F52-Y62 HydrophobicContact CB-CE2 4.49Å; F52-Y62 HydrophobicContact CB-CG 4.16Å; F52-Y62 HydrophobicContact CD1-CD2 4.43Å; F52-Y62 HydrophobicContact CD1-CG 4.47Å; F52-Y62 HydrophobicContact CD2-CG 4.27Å; F52-Y62 HydrophobicContact CG-CD2 4.03Å; F52-Y62 HydrophobicContact CG-CG 4.04Å; T58-Y62 WeakPolarHBondContact O-CB 3.29Å; T58-Y62 PolarHBondContact O-N 2.85Å; L59-Y62 HydrophobicContact CD1-CD1 4.48Å; Y62-R64 PolarHBondContact O-N 3.32Å; Y62-R65 PolarHBondContact O-N 3.32Å; Y62-I66 HydrophobicContact CD2-CG1 4.43Å; Y62-I66 HydrophobicContact CE1-CG1 4.41Å; Y62-I66 HydrophobicContact CE2-CD1 4.3Å; Y62-I66 HydrophobicContact CE2-CG1 3.99Å; Y62-I66 WeakPolarHBondContact O-CG1 3.24Å; Y62-I66 PolarHBondContact O-N 2.95Å
63	Q	97.5	Very high	95.4	Very high	103 Å²	103	80.6 Å²	80.6	48%	0.481	38%	0.382	S	S	.	.	H	α-helix	trans	-61.8	-42.7	179.5	-72.9	177.2	-14.7	0	0	112.1	L59 M60 D61 I66 Q67	L59-Q63 HydrophobicContact CD1-CG 4.45Å; L59-Q63 WeakPolarHBondContact O-CG 3.47Å; L59-Q63 PolarHBondContact O-N 2.83Å; M60-Q63 PolarHBondContact O-N 2.89Å; D61-Q63 PolarHBondContact O-N 2.78Å; Q63-I66 PolarHBondContact O-N 3.33Å; Q63-Q67 WeakPolarHBondContact O-CG 3.49Å; Q63-Q67 PolarHBondContact O-N 3.42Å
64	R	97.4	Very high	94.9	Very high	111 Å²	111	82.3 Å²	82.3	42%	0.419	38%	0.382	S	S	.	.	H	α-helix	trans	-60.7	-49.7	176.8	-176.2	-176.2	63.6	-109.9	-1.5	111.2	M60 D61 Y62 I66 Q67 E68	M60-R64 WeakPolarHBondContact O-CB 3.49Å; M60-R64 PolarHBondContact O-N 3.37Å; D61-R64 PolarHBondContact O-N 2.85Å; D61-R64 IonicContact OD1-CZ 3.7Å; D61-R64 IonicContact OD1-NH1 3.54Å; D61-R64 PolarHBondContact OD1-NH1 2.98Å; D61-R64 IonicContact OD1-NH2 2.72Å; D61-R64 PolarHBondContact OD1-NH2 3.44Å; Y62-R64 PolarHBondContact O-N 3.32Å; R64-I66 VanDerWaalsContact C-N 3.34Å; R64-I66 PolarHBondContact O-N 3.49Å; R64-Q67 CarbonylContact O-C 3.38Å; R64-Q67 WeakPolarHBondContact O-CB 3.3Å; R64-Q67 PolarHBondContact O-N 3.43Å; R64-E68 HydrophobicContact CG-CG 4.43Å; R64-E68 WeakPolarHBondContact CG-OE1 3.17Å; R64-E68 IonicContact NE-OE1 3.54Å; R64-E68 WeakPolarHBondContact O-CG 3.49Å; R64-E68 PolarHBondContact O-N 2.79Å
65	R	96.8	Very high	94.5	Very high	20 Å²	20	81.5 Å²	81.5	8%	0.075	38%	0.376	C	S	.	.	H	α-helix	trans	-60.9	-40.8	-179.5	-67.1	-73.5	-63.6	135	4.3	112	I48 D61 Y62 Q67 E68 I69 E117	I48-R65 HydrophobicContact CD1-CB 3.87Å; I48-R65 HydrophobicContact CG1-CB 4.22Å; I48-R65 HydrophobicContact CG2-CB 4.11Å; D61-R65 WeakPolarHBondContact O-CB 3.2Å; D61-R65 WeakPolarHBondContact O-CG 3.36Å; D61-R65 PolarHBondContact O-N 2.8Å; Y62-R65 PolarHBondContact O-N 3.32Å; R65-Q67 VanDerWaalsContact C-N 3.35Å; R65-Q67 PolarHBondContact O-N 2.9Å; R65-E68 WeakPolarHBondContact CD-OE2 3.31Å; R65-E68 IonicContact CZ-OE2 2.81Å; R65-E68 IonicContact NH1-OE2 2.8Å; R65-E68 PolarHBondContact NH1-OE2 2.72Å; R65-E68 PolarHBondContact O-N 3.04Å; R65-I69 WeakPolarHBondContact O-CG1 3.25Å; R65-I69 PolarHBondContact O-N 3.25Å; R65-E117 IonicContact CZ-OE1 3.14Å; R65-E117 IonicContact CZ-OE2 3.55Å; R65-E117 IonicContact NH1-OE2 2.7Å; R65-E117 IonicContact NH2-OE1 2.69Å; R65-E117 PolarHBondContact NH2-OE1 3.3Å; R65-E117 IonicContact NH2-OE2 3.56Å; R65-E117 PolarHBondContact NH2-OE2 2.94Å
66	I	95.6	Very high	94.2	Very high	16 Å²	16	74.8 Å²	74.8	8%	0.082	34%	0.341	C	S	.	.	H	α-helix	trans	-62.9	-41.1	173.6	-67.6	-64.4	0	0	0	111.7	T45 I48 Y62 Q63 R64 R70	T45-I66 HydrophobicContact CG2-CD1 3.98Å; I48-I66 HydrophobicContact CB-CD1 4.28Å; I48-I66 HydrophobicContact CD1-CD1 4.13Å; I48-I66 HydrophobicContact CG2-CD1 3.96Å; I48-I66 HydrophobicContact CG2-CG1 4.1Å; Y62-I66 HydrophobicContact CD2-CG1 4.43Å; Y62-I66 HydrophobicContact CE1-CG1 4.41Å; Y62-I66 HydrophobicContact CE2-CD1 4.3Å; Y62-I66 HydrophobicContact CE2-CG1 3.99Å; Y62-I66 WeakPolarHBondContact O-CG1 3.24Å; Y62-I66 PolarHBondContact O-N 2.95Å; Q63-I66 PolarHBondContact O-N 3.33Å; R64-I66 VanDerWaalsContact C-N 3.34Å; R64-I66 PolarHBondContact O-N 3.49Å; I66-R70 WeakPolarHBondContact O-CB 3.36Å; I66-R70 VanDerWaalsContact O-CG 3.26Å; I66-R70 WeakPolarHBondContact O-CG 3.3Å; I66-R70 PolarHBondContact O-N 3.42Å; I66-R70 VanDerWaalsContact O-N 3.1Å
67	Q	95.5	Very high	94.1	Very high	133 Å²	133	71.1 Å²	71.1	62%	0.621	32%	0.321	S	S	*	.	H	α-helix	trans	-67.4	-40.2	176.6	-72.4	178.4	1.9	0	0	112.2	Q63 R64 R65 R70 R71	Q63-Q67 WeakPolarHBondContact O-CG 3.49Å; Q63-Q67 PolarHBondContact O-N 3.42Å; R64-Q67 CarbonylContact O-C 3.38Å; R64-Q67 WeakPolarHBondContact O-CB 3.3Å; R64-Q67 PolarHBondContact O-N 3.43Å; R65-Q67 VanDerWaalsContact C-N 3.35Å; R65-Q67 PolarHBondContact O-N 2.9Å; Q67-R70 PolarHBondContact O-N 3.32Å; Q67-R71 WeakPolarHBondContact O-CB 3.43Å; Q67-R71 PolarHBondContact O-N 2.98Å
68	E	95.1	Very high	94	Very high	35 Å²	35	70.3 Å²	70.3	16%	0.164	32%	0.317	C	S	.	.	H	α-helix	trans	-56.7	-54.2	173.9	-74.3	169.9	-169.5	0	0	110.8	R64 R65 R70 R71 S72	R64-E68 HydrophobicContact CG-CG 4.43Å; R64-E68 WeakPolarHBondContact CG-OE1 3.17Å; R64-E68 IonicContact NE-OE1 3.54Å; R64-E68 WeakPolarHBondContact O-CG 3.49Å; R64-E68 PolarHBondContact O-N 2.79Å; R65-E68 WeakPolarHBondContact CD-OE2 3.31Å; R65-E68 IonicContact CZ-OE2 2.81Å; R65-E68 IonicContact NH1-OE2 2.8Å; R65-E68 PolarHBondContact NH1-OE2 2.72Å; R65-E68 PolarHBondContact O-N 3.04Å; E68-R70 VanDerWaalsContact C-N 3.34Å; E68-R70 PolarHBondContact O-N 2.84Å; E68-R71 WeakPolarHBondContact O-CB 3.5Å; E68-R71 PolarHBondContact O-N 3.44Å; E68-R71 VanDerWaalsContact O-N 3.07Å; E68-S72 PolarHBondContact O-N 2.84Å; E68-S72 PolarHBondContact O-OG 2.77Å; E68-S72 VanDerWaalsContact O-OG 3.05Å
69	I	93	Very high	93.9	Very high	7 Å²	7	69.3 Å²	69.3	4%	0.036	31%	0.313	C	S	.	.	H	α-helix	trans	-56.7	-47.3	178	-66.4	-68.3	0	0	0	111.2	Q41 A44 I48 R65 R71 S72 V73 W119 W158	Q41-I69 HydrophobicContact CG-CG2 4.06Å; A44-I69 HydrophobicContact CB-CD1 3.96Å; A44-I69 HydrophobicContact CB-CG1 4.41Å; I48-I69 HydrophobicContact CD1-CG1 3.82Å; R65-I69 WeakPolarHBondContact O-CG1 3.25Å; R65-I69 PolarHBondContact O-N 3.25Å; I69-R71 VanDerWaalsContact C-N 3.26Å; I69-R71 PolarHBondContact O-N 2.93Å; I69-S72 PolarHBondContact O-N 3.42Å; I69-V73 HydrophobicContact CG2-CG2 4.5Å; I69-V73 VanDerWaalsContact O-CG2 3.31Å; I69-V73 WeakPolarHBondContact O-CG2 3.41Å; I69-V73 PolarHBondContact O-N 3.1Å; I69-W119 HydrophobicContact CD1-CZ2 3.98Å; I69-W158 HydrophobicContact CD1-CH2 3.86Å; I69-W158 HydrophobicContact CD1-CZ3 4.47Å; I69-W158 HydrophobicContact CG2-CH2 4.2Å
70	R	92.2	Very high	93.7	Very high	143 Å²	143	67.2 Å²	67.2	54%	0.54	31%	0.31	S	S	.	.	H	α-helix	trans	-60.7	-35.9	178.6	-74.3	173.3	178.2	177.6	1.9	112.5	I66 Q67 E68 R74	I66-R70 WeakPolarHBondContact O-CB 3.36Å; I66-R70 VanDerWaalsContact O-CG 3.26Å; I66-R70 WeakPolarHBondContact O-CG 3.3Å; I66-R70 PolarHBondContact O-N 3.42Å; I66-R70 VanDerWaalsContact O-N 3.1Å; Q67-R70 PolarHBondContact O-N 3.32Å; E68-R70 VanDerWaalsContact C-N 3.34Å; E68-R70 PolarHBondContact O-N 2.84Å; R70-R74 VanDerWaalsContact O-CB 3.22Å; R70-R74 WeakPolarHBondContact O-CB 3.41Å; R70-R74 PolarHBondContact O-N 3.25Å
71	R	90.3	Very high	93.6	Very high	142 Å²	142	62.6 Å²	62.6	54%	0.536	29%	0.294	S	S	.	.	H	α-helix	trans	-71.8	-45.5	176.7	-171.6	-177.7	179.2	-175.4	-4.7	110.9	Q67 E68 I69 V73 R74 Q75	Q67-R71 WeakPolarHBondContact O-CB 3.43Å; Q67-R71 PolarHBondContact O-N 2.98Å; E68-R71 WeakPolarHBondContact O-CB 3.5Å; E68-R71 PolarHBondContact O-N 3.44Å; E68-R71 VanDerWaalsContact O-N 3.07Å; I69-R71 VanDerWaalsContact C-N 3.26Å; I69-R71 PolarHBondContact O-N 2.93Å; R71-V73 VanDerWaalsContact C-N 3.3Å; R71-V73 PolarHBondContact O-N 3.01Å; R71-R74 PolarHBondContact O-N 3.01Å; R71-Q75 HydrophobicContact CG-CB 4.41Å; R71-Q75 HydrophobicContact CG-CG 4.2Å; R71-Q75 WeakPolarHBondContact O-CB 3.28Å; R71-Q75 PolarHBondContact O-N 2.9Å
72	S	92.2	Very high	93.6	Very high	6 Å²	6	61.3 Å²	61.3	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-60.1	-39.6	178.3	-59.7	0	0	0	0	112.8	E68 I69 G76 I77 S156	E68-S72 PolarHBondContact O-N 2.84Å; E68-S72 PolarHBondContact O-OG 2.77Å; E68-S72 VanDerWaalsContact O-OG 3.05Å; I69-S72 PolarHBondContact O-N 3.42Å; S72-G76 VanDerWaalsContact O-CA 3.24Å; S72-G76 WeakPolarHBondContact O-CA 3.18Å; S72-G76 PolarHBondContact O-N 3.05Å; S72-I77 VanDerWaalsContact CA-O 3.23Å; S72-I77 WeakPolarHBondContact CA-O 3.08Å; S72-I77 PolarHBondContact OG-O 3.41Å; S72-S156 WeakPolarHBondContact O-CB 3.41Å; S72-S156 PolarHBondContact O-OG 3.4Å
73	V	89.7	Confident	93.6	Very high	22 Å²	22	59.7 Å²	59.7	13%	0.133	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-70.5	169.2	176.4	0	0	0	0	108.2	L28 Q41 I69 R71 Q75 G76 W158	L28-V73 HydrophobicContact CD1-CB 4.32Å; L28-V73 HydrophobicContact CD1-CG1 3.42Å; L28-V73 VanDerWaalsContact CD1-CG1 3.42Å; L28-V73 WeakPolarHBondContact CD1-O 3.35Å; Q41-V73 HydrophobicContact CG-CG2 4.41Å; I69-V73 HydrophobicContact CG2-CG2 4.5Å; I69-V73 VanDerWaalsContact O-CG2 3.31Å; I69-V73 WeakPolarHBondContact O-CG2 3.41Å; I69-V73 PolarHBondContact O-N 3.1Å; R71-V73 VanDerWaalsContact C-N 3.3Å; R71-V73 PolarHBondContact O-N 3.01Å; V73-Q75 PolarHBondContact O-N 3.25Å; V73-G76 PolarHBondContact O-N 3.39Å; V73-W158 HydrophobicContact CB-CD2 4.48Å; V73-W158 HydrophobicContact CG2-CD2 3.59Å; V73-W158 VanDerWaalsContact CG2-CE2 3.48Å; V73-W158 HydrophobicContact CG2-CE3 4.01Å; V73-W158 HydrophobicContact CG2-CG 4.01Å; V73-W158 HydrophobicContact CG2-CH2 4.25Å; V73-W158 HydrophobicContact CG2-CZ2 3.83Å; V73-W158 HydrophobicContact CG2-CZ3 4.33Å
74	R	88.2	Confident	93.5	Very high	182 Å²	182	54.9 Å²	54.9	69%	0.687	26%	0.261	S	S	*	.	H	α-helix	trans	-58.8	-41.4	-167.2	-171.8	-174.8	-56.2	176	2	115.1	R70 R71	R70-R74 VanDerWaalsContact O-CB 3.22Å; R70-R74 WeakPolarHBondContact O-CB 3.41Å; R70-R74 PolarHBondContact O-N 3.25Å; R71-R74 PolarHBondContact O-N 3.01Å
75	Q	88.1	Confident	93.4	Very high	85 Å²	85	54.4 Å²	54.4	40%	0.397	27%	0.267	S	S	.	.	H	α-helix	trans	-99.3	-14	-174.1	-61.6	-176.5	-15.7	0	0	112.6	P26 R71 V73 I77	P26-Q75 WeakPolarHBondContact CD-O 3.22Å; R71-Q75 HydrophobicContact CG-CB 4.41Å; R71-Q75 HydrophobicContact CG-CG 4.2Å; R71-Q75 WeakPolarHBondContact O-CB 3.28Å; R71-Q75 PolarHBondContact O-N 2.9Å; V73-Q75 PolarHBondContact O-N 3.25Å; Q75-I77 HydrophobicContact CB-CB 4.47Å; Q75-I77 HydrophobicContact CB-CD1 4.12Å; Q75-I77 HydrophobicContact CB-CG1 4.21Å; Q75-I77 PolarHBondContact O-N 2.61Å
76	G	91	Very high	93.2	Very high	4 Å²	4	54.3 Å²	54.3	4%	0.041	27%	0.272	C	S	.	.			trans	70.7	17.1	-174.6	0	0	0	0	0	114.7	S72 V73 P155 S156 K159	S72-G76 VanDerWaalsContact O-CA 3.24Å; S72-G76 WeakPolarHBondContact O-CA 3.18Å; S72-G76 PolarHBondContact O-N 3.05Å; V73-G76 PolarHBondContact O-N 3.39Å; G76-P155 CarbonylContact O-C 3.48Å; G76-P155 WeakPolarHBondContact O-CA 3.46Å; G76-S156 WeakPolarHBondContact CA-OG 3.36Å; G76-S156 PolarHBondContact O-N 3.47Å; G76-K159 VanDerWaalsContact O-CB 3.28Å; G76-K159 WeakPolarHBondContact O-CB 3.46Å
77	I	91.7	Very high	93	Very high	44 Å²	44	53.5 Å²	53.5	23%	0.226	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-104.6	125	-176.3	-65.8	171.1	0	0	0	109.5	S72 Q75 A153	S72-I77 VanDerWaalsContact CA-O 3.23Å; S72-I77 WeakPolarHBondContact CA-O 3.08Å; S72-I77 PolarHBondContact OG-O 3.41Å; Q75-I77 HydrophobicContact CB-CB 4.47Å; Q75-I77 HydrophobicContact CB-CD1 4.12Å; Q75-I77 HydrophobicContact CB-CG1 4.21Å; Q75-I77 PolarHBondContact O-N 2.61Å; I77-A153 HydrophobicContact CG1-CB 4.31Å; I77-A153 HydrophobicContact CG2-CB 3.96Å
78	D	94.9	Very high	92.8	Very high	18 Å²	18	47.4 Å²	47.4	10%	0.096	24%	0.24	C	C	.	.			trans	-64.4	144.6	173.2	-167.2	-88.2	0	0	0	111	A80 R128 Q131 M154	D78-A80 VanDerWaalsContact C-N 3.25Å; D78-A80 PolarHBondContact O-N 3.18Å; D78-A80 WeakPolarHBondContact OD1-CA 3.49Å; D78-A80 PolarHBondContact OD1-N 3.45Å; D78-R128 IonicContact OD2-NH1 3.54Å; D78-R128 PolarHBondContact OD2-NH1 3.25Å; D78-Q131 VanDerWaalsContact CG-NE2 3.31Å; D78-Q131 PolarHBondContact OD2-NE2 3.42Å; D78-M154 HydrophobicContact CB-CB 4.16Å; D78-M154 HydrophobicContact CB-CG 4.39Å; D78-M154 WeakPolarHBondContact CB-O 2.95Å; D78-M154 PolarHBondContact N-O 3.05Å
79	S	94.3	Very high	92.5	Very high	50 Å²	50	50.8 Å²	50.8	35%	0.35	26%	0.256	S	S	.	.			trans	-78.3	-10.3	-178.7	64.6	0	0	0	0	113.7	A81	S79-A81 PolarHBondContact O-N 3.2Å; S79-A81 VanDerWaalsContact O-N 3.16Å; S79-A81 VanDerWaalsContact OG-CB 3.3Å; S79-A81 WeakPolarHBondContact OG-CB 3.48Å; S79-A81 PolarHBondContact OG-N 2.93Å
80	A	94.7	Very high	92.4	Very high	56 Å²	56	50.5 Å²	50.5	46%	0.463	25%	0.254	S	S	.	.			trans	58.5	13.2	-168.7	0	0	0	0	0	114	D78 T82 C83	D78-A80 VanDerWaalsContact C-N 3.25Å; D78-A80 PolarHBondContact O-N 3.18Å; D78-A80 WeakPolarHBondContact OD1-CA 3.49Å; D78-A80 PolarHBondContact OD1-N 3.45Å; A80-T82 PolarHBondContact O-N 3.41Å; A80-C83 HydrophobicContact CB-CB 3.9Å; A80-C83 VanDerWaalsContact O-CB 3.27Å; A80-C83 WeakPolarHBondContact O-CB 3.26Å; A80-C83 PolarHBondContact O-N 2.95Å
81	A	93.8	Very high	92.3	Very high	43 Å²	43	43.7 Å²	43.7	36%	0.355	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-30.2	-178.1	0	0	0	0	0	112.9	S79	S79-A81 PolarHBondContact O-N 3.2Å; S79-A81 VanDerWaalsContact O-N 3.16Å; S79-A81 VanDerWaalsContact OG-CB 3.3Å; S79-A81 WeakPolarHBondContact OG-CB 3.48Å; S79-A81 PolarHBondContact OG-N 2.93Å
82	T	95.9	Very high	92	Very high	13 Å²	13	40.1 Å²	40.1	8%	0.08	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	8.1	175.9	60.5	0	0	0	0	113.2	A80 A115 E117 R128 A291	A80-T82 PolarHBondContact O-N 3.41Å; T82-A115 WeakPolarHBondContact CB-O 3.21Å; T82-A115 WeakPolarHBondContact CG2-O 3.37Å; T82-A115 PolarHBondContact O-N 3.3Å; T82-A115 PolarHBondContact OG1-O 3.21Å; T82-E117 HydrophobicContact CG2-CG 3.46Å; T82-E117 VanDerWaalsContact CG2-CG 3.46Å; T82-R128 PolarHBondContact OG1-NH1 3.02Å; T82-A291 WeakPolarHBondContact O-CB 3.48Å
83	C	97.4	Very high	91.8	Very high	20 Å²	20	41.7 Å²	41.7	14%	0.135	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	140.5	178.8	-177.1	0	0	0	0	110.8	A80 H113 F114 R295	A80-C83 HydrophobicContact CB-CB 3.9Å; A80-C83 VanDerWaalsContact O-CB 3.27Å; A80-C83 WeakPolarHBondContact O-CB 3.26Å; A80-C83 PolarHBondContact O-N 2.95Å; C83-H113 CarbonylContact C-O 3.41Å; C83-H113 VanDerWaalsContact CA-O 3.3Å; C83-H113 WeakPolarHBondContact CA-O 3.49Å; C83-F114 HydrophobicContact CB-CD1 4.15Å; C83-F114 HydrophobicContact CB-CE1 3.87Å; C83-F114 HydrophobicContact CB-CZ 4.32Å; C83-R295 PolarHBondContact O-NH1 3.48Å
84	T	97	Very high	91.6	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	98.2	167	-53.4	0	0	0	0	108.9	H113 A291 M294 R295 I298	T84-H113 PolarHBondContact N-O 2.81Å; T84-H113 PolarHBondContact O-N 2.98Å; T84-A291 WeakPolarHBondContact OG1-CA 3.45Å; T84-A291 WeakPolarHBondContact OG1-CB 3.41Å; T84-A291 PolarHBondContact OG1-O 2.95Å; T84-M294 HydrophobicContact CG2-CB 3.81Å; T84-R295 HydrophobicContact CG2-CG 3.92Å; T84-I298 HydrophobicContact CG2-CD1 3.41Å; T84-I298 VanDerWaalsContact CG2-CD1 3.41Å
85	D	94.8	Very high	91.4	Very high	101 Å²	101	33.4 Å²	33.4	54%	0.54	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	153.5	172.7	178.9	19.8	0	0	0	110.8	I87 D112 R139 I298	D85-I87 VanDerWaalsContact C-N 3.29Å; D85-I87 PolarHBondContact O-N 3.36Å; D85-D112 VanDerWaalsContact CA-OD1 3.29Å; D85-D112 WeakPolarHBondContact CA-OD1 3.31Å; D85-D112 WeakPolarHBondContact CB-OD1 3.31Å; D85-D112 VanDerWaalsContact CG-OD1 3.3Å; D85-R139 IonicContact OD1-NH2 3.62Å; D85-R139 PolarHBondContact OD1-NH2 3.23Å; D85-I298 WeakPolarHBondContact O-CD1 3.44Å
86	G	91.9	Very high	91.1	Very high	18 Å²	18	37.1 Å²	37.1	19%	0.186	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	3.9	175	0	0	0	0	0	114.6	I88 H89 A90	G86-I88 VanDerWaalsContact C-N 3.34Å; G86-I88 PolarHBondContact O-N 3.23Å; G86-H89 PolarHBondContact O-N 2.69Å; G86-A90 WeakPolarHBondContact O-CB 3.44Å; G86-A90 PolarHBondContact O-N 2.94Å
87	I	92.4	Very high	90.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-42.5	-178.7	-173.4	58.5	0	0	0	112	D85 A90 L91 H113 L285 M294 V297 I298 M329	D85-I87 VanDerWaalsContact C-N 3.29Å; D85-I87 PolarHBondContact O-N 3.36Å; I87-A90 PolarHBondContact O-N 3.49Å; I87-L91 HydrophobicContact CG1-CD1 4.42Å; I87-L91 WeakPolarHBondContact O-CB 3.42Å; I87-L91 VanDerWaalsContact O-CG 3.25Å; I87-L91 WeakPolarHBondContact O-CG 3.18Å; I87-L91 PolarHBondContact O-N 2.84Å; I87-H113 HydrophobicContact CG2-CB 4.19Å; I87-L285 HydrophobicContact CG1-CD2 4.39Å; I87-L285 HydrophobicContact CG2-CD1 4.33Å; I87-L285 HydrophobicContact CG2-CD2 4.47Å; I87-M294 HydrophobicContact CD1-SD 4.06Å; I87-M294 HydrophobicContact CG1-SD 4.16Å; I87-V297 HydrophobicContact CD1-CB 3.83Å; I87-V297 HydrophobicContact CD1-CG1 3.89Å; I87-V297 HydrophobicContact CD1-CG2 4.48Å; I87-I298 HydrophobicContact CD1-CG1 4.43Å; I87-M329 HydrophobicContact CD1-CE 4.47Å; I87-M329 HydrophobicContact CG1-CE 4.28Å
88	I	90	Very high	90.1	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-42.8	177.1	-60.8	-55.2	0	0	0	110.9	G86 L91 K92 I107 D110 L285	G86-I88 VanDerWaalsContact C-N 3.34Å; G86-I88 PolarHBondContact O-N 3.23Å; I88-L91 PolarHBondContact O-N 2.72Å; I88-K92 HydrophobicContact CG2-CD 4.46Å; I88-K92 WeakPolarHBondContact O-CG 2.89Å; I88-K92 PolarHBondContact O-N 3.42Å; I88-I107 HydrophobicContact CB-CG2 3.94Å; I88-I107 HydrophobicContact CD1-CG2 3.41Å; I88-I107 VanDerWaalsContact CD1-CG2 3.41Å; I88-I107 HydrophobicContact CG1-CG2 4.12Å; I88-I107 HydrophobicContact CG2-CB 4.28Å; I88-I107 HydrophobicContact CG2-CG2 3.31Å; I88-D110 WeakPolarHBondContact CB-OD1 3.46Å; I88-D110 HydrophobicContact CG2-CB 4.24Å; I88-L285 HydrophobicContact CD1-CD1 4.16Å
89	H	89.3	Confident	89.2	Confident	105 Å²	105	41.2 Å²	41.2	49%	0.486	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-43.3	175.4	177.6	-98.2	0	0	0	112.2	G86 K92 Q93	G86-H89 PolarHBondContact O-N 2.69Å; H89-K92 WeakPolarHBondContact O-CB 3.17Å; H89-K92 PolarHBondContact O-N 3.37Å; H89-Q93 PolarHBondContact CE1-NE2 3.33Å; H89-Q93 WeakPolarHBondContact O-CG 3.38Å; H89-Q93 PolarHBondContact O-N 3.32Å
90	A	90.9	Very high	88.1	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-61.7	-44	176.4	0	0	0	0	0	112.1	G86 I87 K92 Q93 L94 I298 A301	G86-A90 WeakPolarHBondContact O-CB 3.44Å; G86-A90 PolarHBondContact O-N 2.94Å; I87-A90 PolarHBondContact O-N 3.49Å; A90-K92 PolarHBondContact O-N 2.85Å; A90-Q93 WeakPolarHBondContact O-CB 3.35Å; A90-Q93 PolarHBondContact O-N 2.92Å; A90-L94 WeakPolarHBondContact O-CG 3.37Å; A90-L94 PolarHBondContact O-N 3.49Å; A90-I298 HydrophobicContact CB-CB 4.26Å; A90-I298 HydrophobicContact CB-CG1 3.84Å; A90-A301 HydrophobicContact CB-CB 3.64Å; A90-A301 WeakPolarHBondContact O-CB 3.37Å
91	L	89.3	Confident	86.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.9	-45.5	173.3	-69.9	171.2	0	0	0	111	I87 I88 Q93 L94 I95 I107 I283 V297 L326 M329	I87-L91 HydrophobicContact CG1-CD1 4.42Å; I87-L91 WeakPolarHBondContact O-CB 3.42Å; I87-L91 VanDerWaalsContact O-CG 3.25Å; I87-L91 WeakPolarHBondContact O-CG 3.18Å; I87-L91 PolarHBondContact O-N 2.84Å; I88-L91 PolarHBondContact O-N 2.72Å; L91-Q93 VanDerWaalsContact C-N 3.31Å; L91-Q93 PolarHBondContact O-N 3.46Å; L91-L94 PolarHBondContact O-N 3.09Å; L91-I95 VanDerWaalsContact O-CG1 3.26Å; L91-I95 WeakPolarHBondContact O-CG1 3.34Å; L91-I95 PolarHBondContact O-N 3.23Å; L91-I107 HydrophobicContact CB-CD1 3.41Å; L91-I107 VanDerWaalsContact CB-CD1 3.41Å; L91-I107 HydrophobicContact CB-CG1 4.37Å; L91-I283 HydrophobicContact CD1-CG2 4.1Å; L91-V297 HydrophobicContact CD2-CG1 3.98Å; L91-L326 HydrophobicContact CD2-CD1 3.4Å; L91-L326 VanDerWaalsContact CD2-CD1 3.4Å; L91-M329 HydrophobicContact CD1-CE 3.91Å; L91-M329 HydrophobicContact CD2-CE 4.34Å
92	K	85.8	Confident	85.3	Confident	68 Å²	68	44.1 Å²	44.1	30%	0.296	24%	0.244	S	C	.	.	H	α-helix	trans	-56.5	-46.9	174.4	-74	175.7	-177.8	174.5	0	110.5	I88 H89 A90 L94 I95 H96 I107	I88-K92 HydrophobicContact CG2-CD 4.46Å; I88-K92 WeakPolarHBondContact O-CG 2.89Å; I88-K92 PolarHBondContact O-N 3.42Å; H89-K92 WeakPolarHBondContact O-CB 3.17Å; H89-K92 PolarHBondContact O-N 3.37Å; A90-K92 PolarHBondContact O-N 2.85Å; K92-L94 PolarHBondContact O-N 3.15Å; K92-I95 WeakPolarHBondContact O-CB 2.95Å; K92-I95 PolarHBondContact O-N 3.12Å; K92-H96 PolarHBondContact O-N 3.15Å; K92-H96 PolarHBondContact O-ND1 2.79Å; K92-I107 HydrophobicContact CB-CD1 4.17Å; K92-I107 HydrophobicContact CG-CB 4.47Å; K92-I107 HydrophobicContact CG-CD1 3.44Å; K92-I107 VanDerWaalsContact CG-CD1 3.44Å; K92-I107 HydrophobicContact CG-CG1 4.47Å; K92-I107 VanDerWaalsContact N-CD1 3.27Å
93	Q	86.6	Confident	83.6	Confident	39 Å²	39	49.7 Å²	49.7	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-59.9	-47.1	179.1	-74.4	178.3	-29.4	0	0	112.2	H89 A90 L91 I95 H96 S97 A301 I305	H89-Q93 PolarHBondContact CE1-NE2 3.33Å; H89-Q93 WeakPolarHBondContact O-CG 3.38Å; H89-Q93 PolarHBondContact O-N 3.32Å; A90-Q93 WeakPolarHBondContact O-CB 3.35Å; A90-Q93 PolarHBondContact O-N 2.92Å; L91-Q93 VanDerWaalsContact C-N 3.31Å; L91-Q93 PolarHBondContact O-N 3.46Å; Q93-I95 VanDerWaalsContact C-N 3.27Å; Q93-I95 PolarHBondContact O-N 3.26Å; Q93-H96 PolarHBondContact O-N 2.84Å; Q93-H96 VanDerWaalsContact O-N 3.11Å; Q93-S97 PolarHBondContact O-N 2.94Å; Q93-S97 PolarHBondContact O-OG 3.08Å; Q93-A301 HydrophobicContact CB-CB 4.19Å; Q93-I305 HydrophobicContact CG-CD1 4.35Å; Q93-I305 VanDerWaalsContact NE2-CD1 3.26Å
94	L	86.6	Confident	81.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.2	-33.9	178.2	-71.1	169.1	0	0	0	113	A90 L91 K92 S97 G98 W99 L100 V297 A300 A301 W322	A90-L94 WeakPolarHBondContact O-CG 3.37Å; A90-L94 PolarHBondContact O-N 3.49Å; L91-L94 PolarHBondContact O-N 3.09Å; K92-L94 PolarHBondContact O-N 3.15Å; L94-S97 WeakPolarHBondContact CA-OG 3.27Å; L94-S97 PolarHBondContact O-OG 3.3Å; L94-G98 PolarHBondContact O-N 3.48Å; L94-W99 HydrophobicContact CD2-CB 4.24Å; L94-W99 HydrophobicContact CD2-CG 4.31Å; L94-W99 PolarHBondContact O-N 3.18Å; L94-W99 VanDerWaalsContact O-N 3.12Å; L94-L100 HydrophobicContact CB-CD1 4.19Å; L94-L100 HydrophobicContact CB-CD2 4.43Å; L94-L100 HydrophobicContact CB-CG 4.08Å; L94-V297 HydrophobicContact CD1-CG1 3.75Å; L94-A300 HydrophobicContact CD2-CB 4.48Å; L94-A301 HydrophobicContact CD1-CB 4.34Å; L94-A301 HydrophobicContact CD2-CB 4.31Å; L94-A301 HydrophobicContact CG-CB 3.92Å; L94-W322 HydrophobicContact CD1-CE3 4.39Å; L94-W322 HydrophobicContact CD1-CZ3 4.04Å; L94-W322 HydrophobicContact CD2-CH2 4.42Å; L94-W322 HydrophobicContact CD2-CZ3 4.34Å
95	I	82.9	Confident	80.1	Confident	30 Å²	30	52.3 Å²	52.3	15%	0.154	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-53.1	171.3	-65.6	165.5	0	0	0	110.1	L91 K92 Q93 S97 G98 L100 W104 I107	L91-I95 VanDerWaalsContact O-CG1 3.26Å; L91-I95 WeakPolarHBondContact O-CG1 3.34Å; L91-I95 PolarHBondContact O-N 3.23Å; K92-I95 WeakPolarHBondContact O-CB 2.95Å; K92-I95 PolarHBondContact O-N 3.12Å; Q93-I95 VanDerWaalsContact C-N 3.27Å; Q93-I95 PolarHBondContact O-N 3.26Å; I95-S97 VanDerWaalsContact C-N 3.29Å; I95-S97 PolarHBondContact O-N 3.22Å; I95-G98 PolarHBondContact O-N 3.16Å; I95-L100 HydrophobicContact CD1-CD1 4.43Å; I95-L100 HydrophobicContact CG1-CB 4.28Å; I95-L100 HydrophobicContact CG1-CD1 3.53Å; I95-L100 HydrophobicContact CG1-CG 4.2Å; I95-W104 HydrophobicContact CD1-CB 4.02Å; I95-W104 WeakPolarHBondContact CD1-O 3.33Å; I95-W104 HydrophobicContact CG1-CB 3.82Å; I95-W104 WeakPolarHBondContact CG1-O 3.4Å; I95-W104 WeakPolarHBondContact CG2-O 2.93Å; I95-I107 HydrophobicContact CD1-CD1 3.48Å; I95-I107 VanDerWaalsContact CD1-CD1 3.48Å; I95-I107 HydrophobicContact CD1-CG1 4.08Å
96	H	82.5	Confident	78.4	Confident	163 Å²	163	48 Å²	48	76%	0.755	25%	0.252	S	S	*	.	H	α-helix	trans	-64.3	-32.6	-176.6	-72.6	86	0	0	0	112.8	K92 Q93 G98	K92-H96 PolarHBondContact O-N 3.15Å; K92-H96 PolarHBondContact O-ND1 2.79Å; Q93-H96 PolarHBondContact O-N 2.84Å; Q93-H96 VanDerWaalsContact O-N 3.11Å; H96-G98 PolarHBondContact O-N 2.97Å
97	S	82	Confident	76.8	Confident	51 Å²	51	47.6 Å²	47.6	36%	0.357	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	4.1	175.5	50.1	0	0	0	0	113.6	Q93 L94 I95 W99 S304	Q93-S97 PolarHBondContact O-N 2.94Å; Q93-S97 PolarHBondContact O-OG 3.08Å; L94-S97 WeakPolarHBondContact CA-OG 3.27Å; L94-S97 PolarHBondContact O-OG 3.3Å; I95-S97 VanDerWaalsContact C-N 3.29Å; I95-S97 PolarHBondContact O-N 3.22Å; S97-W99 VanDerWaalsContact C-N 3.27Å; S97-W99 PolarHBondContact O-N 3.48Å; S97-W99 VanDerWaalsContact OG-CD1 3.27Å; S97-S304 PolarHBondContact OG-OG 3.41Å
98	G	78.3	Confident	75.7	Confident	41 Å²	41	50.3 Å²	50.3	42%	0.423	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	0.1	172.3	0	0	0	0	0	114.9	L94 I95 H96 L100 N101	L94-G98 PolarHBondContact O-N 3.48Å; I95-G98 PolarHBondContact O-N 3.16Å; H96-G98 PolarHBondContact O-N 2.97Å; G98-L100 PolarHBondContact O-N 3.17Å; G98-L100 VanDerWaalsContact O-N 3.17Å; G98-N101 PolarHBondContact O-N 3.15Å; G98-N101 VanDerWaalsContact O-N 3.12Å
99	W	77	Confident	75.1	Confident	60 Å²	60	52.8 Å²	52.8	23%	0.227	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.2	179.7	-75.5	95.2	0	0	0	113	L94 S97 I310 L312 W322	L94-W99 HydrophobicContact CD2-CB 4.24Å; L94-W99 HydrophobicContact CD2-CG 4.31Å; L94-W99 PolarHBondContact O-N 3.18Å; L94-W99 VanDerWaalsContact O-N 3.12Å; S97-W99 VanDerWaalsContact C-N 3.27Å; S97-W99 PolarHBondContact O-N 3.48Å; S97-W99 VanDerWaalsContact OG-CD1 3.27Å; W99-I310 WeakPolarHBondContact CH2-O 3.34Å; W99-I310 WeakPolarHBondContact CZ2-O 3.39Å; W99-L312 HydrophobicContact CD2-CB 4.29Å; W99-L312 HydrophobicContact CD2-CD1 4Å; W99-L312 HydrophobicContact CD2-CG 4.36Å; W99-L312 HydrophobicContact CE3-CB 4.01Å; W99-L312 HydrophobicContact CH2-CB 3.79Å; W99-L312 HydrophobicContact CH2-CD1 4.4Å; W99-L312 HydrophobicContact CH2-CG 3.8Å; W99-L312 HydrophobicContact CZ2-CB 4.01Å; W99-L312 HydrophobicContact CZ2-CD1 3.76Å; W99-L312 HydrophobicContact CZ2-CG 3.55Å; W99-L312 HydrophobicContact CZ3-CB 3.74Å; W99-L312 HydrophobicContact CZ3-CG 4.24Å; W99-W322 HydrophobicContact CB-CH2 4.41Å; W99-W322 HydrophobicContact CE3-CZ2 4.44Å
100	L	71.9	Confident	75	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.026	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	16.5	-179.7	-53.9	-164.9	0	0	0	113.3	L94 I95 G98 S102 R103 W104 L326	L94-L100 HydrophobicContact CB-CD1 4.19Å; L94-L100 HydrophobicContact CB-CD2 4.43Å; L94-L100 HydrophobicContact CB-CG 4.08Å; I95-L100 HydrophobicContact CD1-CD1 4.43Å; I95-L100 HydrophobicContact CG1-CB 4.28Å; I95-L100 HydrophobicContact CG1-CD1 3.53Å; I95-L100 HydrophobicContact CG1-CG 4.2Å; G98-L100 PolarHBondContact O-N 3.17Å; G98-L100 VanDerWaalsContact O-N 3.17Å; L100-S102 PolarHBondContact O-N 2.88Å; L100-R103 VanDerWaalsContact O-CB 3.28Å; L100-R103 WeakPolarHBondContact O-CB 3.32Å; L100-R103 PolarHBondContact O-N 2.83Å; L100-W104 HydrophobicContact CB-CB 3.7Å; L100-W104 HydrophobicContact CB-CD2 4.34Å; L100-W104 HydrophobicContact CB-CG 3.64Å; L100-W104 HydrophobicContact CD1-CB 3.6Å; L100-W104 HydrophobicContact CD1-CD2 3.58Å; L100-W104 HydrophobicContact CD1-CE3 3.58Å; L100-W104 HydrophobicContact CD1-CG 3.58Å; L100-W104 HydrophobicContact CD1-CZ3 4.49Å; L100-W104 HydrophobicContact CG-CB 4.26Å; L100-W104 HydrophobicContact CG-CD2 4.37Å; L100-W104 HydrophobicContact CG-CG 4.12Å; L100-L326 HydrophobicContact CD1-CD2 4.46Å; L100-L326 HydrophobicContact CD2-CD2 3.28Å
101	N	68.6	Low	75	Confident	112 Å²	112	50.4 Å²	50.4	60%	0.599	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	31	174.1	-68.7	-24.7	0	0	0	115.2	G98 R103	G98-N101 PolarHBondContact O-N 3.15Å; G98-N101 VanDerWaalsContact O-N 3.12Å; N101-R103 HydrophobicContact CB-CG 4.47Å; N101-R103 PolarHBondContact O-N 2.93Å
102	S	61.3	Low	75.3	Confident	92 Å²	92	51.4 Å²	51.4	64%	0.643	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	13.2	-172.1	-44.6	0	0	0	0	114.8	L100 W104 N105	L100-S102 PolarHBondContact O-N 2.88Å; S102-W104 PolarHBondContact O-N 3.08Å; S102-N105 PolarHBondContact O-ND2 3.33Å; S102-N105 PolarHBondContact O-OD1 3.29Å
103	R	59.4	Low	75.8	Confident	131 Å²	131	48.3 Å²	48.3	49%	0.494	26%	0.263	S	S	.	.			trans	-84.3	6.7	175.7	-83.4	-163.1	-57.8	164	0.2	111.6	L100 N101 E272	L100-R103 VanDerWaalsContact O-CB 3.28Å; L100-R103 WeakPolarHBondContact O-CB 3.32Å; L100-R103 PolarHBondContact O-N 2.83Å; N101-R103 HydrophobicContact CB-CG 4.47Å; N101-R103 PolarHBondContact O-N 2.93Å; R103-E272 VanDerWaalsContact C-OE1 3.27Å; R103-E272 VanDerWaalsContact CA-OE1 3.28Å; R103-E272 WeakPolarHBondContact CA-OE1 3.22Å; R103-E272 WeakPolarHBondContact CB-OE1 3.47Å; R103-E272 WeakPolarHBondContact CG-OE1 3.17Å; R103-E272 WeakPolarHBondContact O-CG 3.3Å
104	W	62	Low	76.3	Confident	15 Å²	15	46.8 Å²	46.8	6%	0.057	26%	0.256	C	S	.	.			trans	-147.3	99.4	-170.4	-67.5	62.8	0	0	0	104	I95 L100 S102 I283 L326 R330	I95-W104 HydrophobicContact CD1-CB 4.02Å; I95-W104 WeakPolarHBondContact CD1-O 3.33Å; I95-W104 HydrophobicContact CG1-CB 3.82Å; I95-W104 WeakPolarHBondContact CG1-O 3.4Å; I95-W104 WeakPolarHBondContact CG2-O 2.93Å; L100-W104 HydrophobicContact CB-CB 3.7Å; L100-W104 HydrophobicContact CB-CD2 4.34Å; L100-W104 HydrophobicContact CB-CG 3.64Å; L100-W104 HydrophobicContact CD1-CB 3.6Å; L100-W104 HydrophobicContact CD1-CD2 3.58Å; L100-W104 HydrophobicContact CD1-CE3 3.58Å; L100-W104 HydrophobicContact CD1-CG 3.58Å; L100-W104 HydrophobicContact CD1-CZ3 4.49Å; L100-W104 HydrophobicContact CG-CB 4.26Å; L100-W104 HydrophobicContact CG-CD2 4.37Å; L100-W104 HydrophobicContact CG-CG 4.12Å; S102-W104 PolarHBondContact O-N 3.08Å; W104-I283 HydrophobicContact CD2-CD1 4.3Å; W104-I283 HydrophobicContact CE3-CD1 3.29Å; W104-I283 HydrophobicContact CE3-CG1 3.72Å; W104-I283 HydrophobicContact CZ3-CD1 3.64Å; W104-I283 HydrophobicContact CZ3-CG1 3.64Å; W104-I283 HydrophobicContact CZ3-CG2 4.47Å; W104-L326 HydrophobicContact CE3-CD1 4.11Å; W104-L326 HydrophobicContact CH2-CD1 3.53Å; W104-L326 HydrophobicContact CH2-CD2 4Å; W104-L326 HydrophobicContact CH2-CG 3.39Å; W104-L326 WeakPolarHBondContact CH2-O 3.48Å; W104-L326 HydrophobicContact CZ2-CD1 4.43Å; W104-L326 HydrophobicContact CZ2-CD2 4.11Å; W104-L326 HydrophobicContact CZ2-CG 3.94Å; W104-L326 HydrophobicContact CZ3-CD1 3.3Å; W104-L326 HydrophobicContact CZ3-CD2 4.29Å; W104-L326 HydrophobicContact CZ3-CG 3.73Å; W104-R330 HydrophobicContact CH2-CB 3.96Å; W104-R330 HydrophobicContact CZ2-CB 4.06Å; W104-R330 HydrophobicContact CZ2-CG 4.38Å
105	N	59.1	Low	76.8	Confident	62 Å²	62	46.9 Å²	46.9	33%	0.332	26%	0.257	S	S	.	.			trans	-118.7	-13.3	-170.5	-55.7	-45.8	0	0	0	112.2	S102 S270	S102-N105 PolarHBondContact O-ND2 3.33Å; S102-N105 PolarHBondContact O-OD1 3.29Å; N105-S270 CarbonylContact C-O 3.51Å; N105-S270 WeakPolarHBondContact CA-O 3.42Å; N105-S270 VanDerWaalsContact CB-CB 3.48Å; N105-S270 WeakPolarHBondContact CB-O 3.06Å; N105-S270 WeakPolarHBondContact O-CB 3.35Å; N105-S270 PolarHBondContact O-N 2.96Å; N105-S270 VanDerWaalsContact O-O 3.07Å
106	L	57.9	Low	77.4	Confident	10 Å²	10	46.3 Å²	46.3	5%	0.052	26%	0.255	C	S	.	.			trans	-126.2	127.2	-167	-122.8	178.3	0	0	0	108.2	Y258 I261 I269 S270 N271	L106-Y258 HydrophobicContact CD1-CD2 3.99Å; L106-Y258 HydrophobicContact CD1-CE2 4.32Å; L106-I261 HydrophobicContact CD1-CB 4.21Å; L106-I261 HydrophobicContact CD1-CD1 4.36Å; L106-I261 HydrophobicContact CD1-CG2 3.87Å; L106-I261 HydrophobicContact CD2-CG2 3.41Å; L106-I261 VanDerWaalsContact CD2-CG2 3.41Å; L106-I261 HydrophobicContact CG-CG2 4.29Å; L106-I269 HydrophobicContact CD2-CB 3.53Å; L106-I269 HydrophobicContact CD2-CG2 3.48Å; L106-I269 VanDerWaalsContact CD2-CG2 3.48Å; L106-S270 WeakPolarHBondContact CA-O 3.36Å; L106-S270 WeakPolarHBondContact CB-O 3.18Å; L106-S270 VanDerWaalsContact CG-CA 3.45Å; L106-S270 VanDerWaalsContact CG-O 3.23Å; L106-S270 WeakPolarHBondContact CG-O 3.45Å; L106-S270 PolarHBondContact N-O 2.82Å; L106-N271 HydrophobicContact CB-CB 4.48Å; L106-N271 VanDerWaalsContact CB-OD1 3.29Å; L106-N271 WeakPolarHBondContact CB-OD1 3.5Å; L106-N271 HydrophobicContact CD1-CB 3.78Å; L106-N271 WeakPolarHBondContact CD1-OD1 3.27Å; L106-N271 HydrophobicContact CG-CB 4.47Å; L106-N271 VanDerWaalsContact CG-N 3.28Å
107	I	60	Low	78	Confident	9 Å²	9	39.7 Å²	39.7	5%	0.046	23%	0.225	C	C	.	.			trans	-135.2	137.5	169.1	-55.8	165.1	0	0	0	106.9	I88 L91 K92 I95 I269 I283	I88-I107 HydrophobicContact CB-CG2 3.94Å; I88-I107 HydrophobicContact CD1-CG2 3.41Å; I88-I107 VanDerWaalsContact CD1-CG2 3.41Å; I88-I107 HydrophobicContact CG1-CG2 4.12Å; I88-I107 HydrophobicContact CG2-CB 4.28Å; I88-I107 HydrophobicContact CG2-CG2 3.31Å; L91-I107 HydrophobicContact CB-CD1 3.41Å; L91-I107 VanDerWaalsContact CB-CD1 3.41Å; L91-I107 HydrophobicContact CB-CG1 4.37Å; K92-I107 HydrophobicContact CB-CD1 4.17Å; K92-I107 HydrophobicContact CG-CB 4.47Å; K92-I107 HydrophobicContact CG-CD1 3.44Å; K92-I107 VanDerWaalsContact CG-CD1 3.44Å; K92-I107 HydrophobicContact CG-CG1 4.47Å; K92-I107 VanDerWaalsContact N-CD1 3.27Å; I95-I107 HydrophobicContact CD1-CD1 3.48Å; I95-I107 VanDerWaalsContact CD1-CD1 3.48Å; I95-I107 HydrophobicContact CD1-CG1 4.08Å; I107-I269 WeakPolarHBondContact O-CG2 3.38Å; I107-I283 HydrophobicContact CG1-CD1 4.32Å
108	S	68	Low	78.6	Confident	58 Å²	58	41.8 Å²	41.8	41%	0.406	24%	0.237	S	C	.	.			trans	-48.3	174.2	175.5	-167.9	0	0	0	0	112.7	D110	S108-D110 PolarHBondContact O-N 3Å
109	V	77.8	Confident	79.4	Confident	56 Å²	56	40.7 Å²	40.7	34%	0.339	22%	0.22	S	C	.	.	S	Bend	trans	-46.1	141.7	158.7	-178.8	0	0	0	0	108.3	C111 I140	V109-C111 PolarHBondContact O-N 2.87Å; V109-I140 HydrophobicContact CG1-CG1 4.34Å
110	D	86.3	Confident	80.3	Confident	51 Å²	51	37.9 Å²	37.9	27%	0.273	21%	0.21	S	C	.	.	S	Bend	trans	-53.5	137.5	178.1	-175.2	36.7	0	0	0	109.9	I88 S108 S136 R139	I88-D110 WeakPolarHBondContact CB-OD1 3.46Å; I88-D110 HydrophobicContact CG2-CB 4.24Å; S108-D110 PolarHBondContact O-N 3Å; D110-S136 WeakPolarHBondContact O-CA 3.43Å; D110-R139 VanDerWaalsContact C-CD 3.44Å; D110-R139 VanDerWaalsContact CG-NE 3.33Å; D110-R139 WeakPolarHBondContact O-CD 3.29Å; D110-R139 IonicContact OD2-CZ 3.19Å; D110-R139 IonicContact OD2-NE 2.73Å; D110-R139 PolarHBondContact OD2-NE 3.41Å; D110-R139 IonicContact OD2-NH2 2.78Å
111	C	92.2	Very high	81.2	Confident	6 Å²	6	44.6 Å²	44.6	4%	0.041	24%	0.239	C	C	.	.			trans	-159.1	157.6	-175	63.9	0	0	0	0	110.2	V109	V109-C111 PolarHBondContact O-N 2.87Å
112	D	94.7	Very high	82	Confident	21 Å²	21	45.7 Å²	45.7	11%	0.112	25%	0.245	C	C	.	.			trans	-94.2	138.7	176.4	-52.7	-48.3	0	0	0	109.9	D85 F114 C132 S135 R139	D85-D112 VanDerWaalsContact CA-OD1 3.29Å; D85-D112 WeakPolarHBondContact CA-OD1 3.31Å; D85-D112 WeakPolarHBondContact CB-OD1 3.31Å; D85-D112 VanDerWaalsContact CG-OD1 3.3Å; D112-F114 HydrophobicContact CB-CD2 4.37Å; D112-F114 HydrophobicContact CB-CE2 3.77Å; D112-F114 HydrophobicContact CB-CZ 4.39Å; D112-C132 PolarHBondContact O-SG 3Å; D112-C132 VanDerWaalsContact O-SG 3.35Å; D112-S135 PolarHBondContact N-OG 3.05Å; D112-S135 PolarHBondContact O-OG 3.24Å; D112-S135 WeakPolarHBondContact OD2-CB 3.1Å; D112-R139 IonicContact OD1-CZ 3.58Å; D112-R139 IonicContact OD1-NH1 3.67Å; D112-R139 PolarHBondContact OD1-NH1 3.25Å; D112-R139 IonicContact OD1-NH2 2.67Å; D112-R139 PolarHBondContact OD1-NH2 2.86Å; D112-R139 IonicContact OD2-CZ 3.69Å; D112-R139 IonicContact OD2-NH1 2.85Å; D112-R139 PolarHBondContact OD2-NH1 3.23Å; D112-R139 IonicContact OD2-NH2 3.46Å
113	H	96.1	Very high	83.6	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.009	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	135.1	169.7	171.4	-87.3	0	0	0	109.9	C83 T84 I87 L285 D286 V289	C83-H113 CarbonylContact C-O 3.41Å; C83-H113 VanDerWaalsContact CA-O 3.3Å; C83-H113 WeakPolarHBondContact CA-O 3.49Å; T84-H113 PolarHBondContact N-O 2.81Å; T84-H113 PolarHBondContact O-N 2.98Å; I87-H113 HydrophobicContact CG2-CB 4.19Å; H113-L285 HydrophobicContact CB-CD1 4.44Å; H113-D286 PolarHBondContact NE2-O 3.32Å; H113-V289 PolarHBondContact CE1-O 3.25Å
114	F	97.5	Very high	85.3	Confident	7 Å²	7	35.5 Å²	35.5	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112.5	174.4	-73	-95.8	0	0	0	109.5	C83 D112 R128 Q131 M154	C83-F114 HydrophobicContact CB-CD1 4.15Å; C83-F114 HydrophobicContact CB-CE1 3.87Å; C83-F114 HydrophobicContact CB-CZ 4.32Å; D112-F114 HydrophobicContact CB-CD2 4.37Å; D112-F114 HydrophobicContact CB-CE2 3.77Å; D112-F114 HydrophobicContact CB-CZ 4.39Å; F114-R128 HydrophobicContact CB-CB 4.5Å; F114-Q131 HydrophobicContact CB-CB 4.18Å; F114-Q131 HydrophobicContact CD1-CB 4.06Å; F114-Q131 HydrophobicContact CD2-CB 3.59Å; F114-Q131 HydrophobicContact CE1-CB 4.36Å; F114-Q131 HydrophobicContact CE2-CB 3.92Å; F114-Q131 HydrophobicContact CG-CB 3.67Å; F114-Q131 HydrophobicContact CZ-CB 4.31Å; F114-M154 HydrophobicContact CE1-CB 4.42Å; F114-M154 HydrophobicContact CE1-CG 3.94Å; F114-M154 HydrophobicContact CE2-CE 4.31Å; F114-M154 HydrophobicContact CE2-CG 4.37Å; F114-M154 HydrophobicContact CZ-CB 4.16Å; F114-M154 HydrophobicContact CZ-CE 4.15Å; F114-M154 HydrophobicContact CZ-CG 3.66Å; F114-M154 HydrophobicContact CZ-SD 4.41Å
115	A	97	Very high	86.8	Confident	2 Å²	2	36.8 Å²	36.8	2%	0.017	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-79.9	144.2	180	0	0	0	0	0	112.3	T82 R128 P287 V289 A291	T82-A115 WeakPolarHBondContact CB-O 3.21Å; T82-A115 WeakPolarHBondContact CG2-O 3.37Å; T82-A115 PolarHBondContact O-N 3.3Å; T82-A115 PolarHBondContact OG1-O 3.21Å; A115-R128 PolarHBondContact O-NE 3.45Å; A115-P287 CarbonylContact C-O 3.55Å; A115-P287 VanDerWaalsContact CA-O 3.27Å; A115-P287 WeakPolarHBondContact CA-O 3.3Å; A115-V289 WeakPolarHBondContact CB-O 3.49Å; A115-A291 HydrophobicContact CB-CB 4.27Å
116	S	96.4	Very high	88.6	Confident	18 Å²	18	35.2 Å²	35.2	13%	0.126	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-68.6	137	162	-61.4	0	0	0	0	109.8	E120 P287 D288	S116-E120 WeakPolarHBondContact CA-OE2 3.47Å; S116-P287 PolarHBondContact N-O 3.27Å; S116-D288 PolarHBondContact OG-OD1 3.05Å
117	E	95.1	Very high	90.5	Very high	25 Å²	25	34.7 Å²	34.7	12%	0.117	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-82.9	159.1	168.8	-64.2	-159.4	78.6	0	0	112	R65 T82 W119 E120	R65-E117 IonicContact CZ-OE1 3.14Å; R65-E117 IonicContact CZ-OE2 3.55Å; R65-E117 IonicContact NH1-OE2 2.7Å; R65-E117 IonicContact NH2-OE1 2.69Å; R65-E117 PolarHBondContact NH2-OE1 3.3Å; R65-E117 IonicContact NH2-OE2 3.56Å; R65-E117 PolarHBondContact NH2-OE2 2.94Å; T82-E117 HydrophobicContact CG2-CG 3.46Å; T82-E117 VanDerWaalsContact CG2-CG 3.46Å; E117-W119 VanDerWaalsContact CB-CD1 3.44Å; E117-W119 HydrophobicContact CB-CG 4.28Å; E117-W119 VanDerWaalsContact CB-NE1 3.33Å; E117-W119 PolarHBondContact O-N 3.45Å; E117-W119 PolarHBondContact OE2-NE1 3.37Å; E117-E120 HydrophobicContact CB-CB 4.5Å; E117-E120 HydrophobicContact CB-CG 4.15Å; E117-E120 PolarHBondContact N-OE2 2.85Å; E117-E120 WeakPolarHBondContact O-CA 3.44Å; E117-E120 VanDerWaalsContact O-CB 3.3Å; E117-E120 WeakPolarHBondContact O-CB 3.33Å; E117-E120 PolarHBondContact O-N 2.83Å
118	P	94.2	Very high	92.3	Very high	94 Å²	94	34.7 Å²	34.7	61%	0.61	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-57.6	-27.7	178.8	-27.3	35.6	0	0	0	114.6	W47 E120 K121	W47-P118 HydrophobicContact CZ2-CB 4.43Å; W47-P118 HydrophobicContact CZ2-CG 4.06Å; P118-E120 VanDerWaalsContact C-N 3.32Å; P118-K121 WeakPolarHBondContact O-CB 3.3Å
119	W	95	Very high	93.6	Very high	18 Å²	18	34.9 Å²	34.9	7%	0.068	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-80.3	-15.2	176.8	68.9	-94.4	0	0	0	113.4	A40 I43 A44 W47 I69 E117 K121 F123 W158	A40-W119 HydrophobicContact CB-CZ3 4.5Å; I43-W119 HydrophobicContact CG2-CB 4.18Å; I43-W119 HydrophobicContact CG2-CE3 4.31Å; A44-W119 HydrophobicContact CB-CD2 3.66Å; A44-W119 HydrophobicContact CB-CE3 3.64Å; A44-W119 HydrophobicContact CB-CG 4.42Å; A44-W119 HydrophobicContact CB-CH2 3.82Å; A44-W119 HydrophobicContact CB-CZ2 3.81Å; A44-W119 HydrophobicContact CB-CZ3 3.71Å; W47-W119 HydrophobicContact CB-CB 3.65Å; W47-W119 HydrophobicContact CB-CG 4.28Å; W47-W119 HydrophobicContact CD2-CB 4.09Å; W47-W119 AromaticContact CD2-CD1 3.7Å; W47-W119 HydrophobicContact CD2-CG 4.24Å; W47-W119 AromaticContact CE3-CD1 3.44Å; W47-W119 VanDerWaalsContact CE3-CD1 3.44Å; W47-W119 HydrophobicContact CE3-CG 4.27Å; W47-W119 HydrophobicContact CG-CB 3.63Å; W47-W119 HydrophobicContact CG-CG 4.23Å; W47-W119 AromaticContact CZ3-CD1 3.93Å; I69-W119 HydrophobicContact CD1-CZ2 3.98Å; E117-W119 VanDerWaalsContact CB-CD1 3.44Å; E117-W119 HydrophobicContact CB-CG 4.28Å; E117-W119 VanDerWaalsContact CB-NE1 3.33Å; E117-W119 PolarHBondContact O-N 3.45Å; E117-W119 PolarHBondContact OE2-NE1 3.37Å; W119-K121 VanDerWaalsContact C-N 3.3Å; W119-F123 HydrophobicContact CE3-CZ 4.3Å; W119-F123 AromaticContact CZ3-CZ 3.86Å; W119-F123 HydrophobicContact CZ3-CZ 3.86Å; W119-W158 AromaticContact CH2-CH2 3.96Å; W119-W158 HydrophobicContact CH2-CH2 3.96Å; W119-W158 HydrophobicContact CH2-CZ2 4.34Å
120	E	95.6	Very high	94.5	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-89.6	0.7	178.9	-70	-175.9	146.2	0	0	113.3	S116 E117 P118 N122 F123 A124 R128 I157	S116-E120 WeakPolarHBondContact CA-OE2 3.47Å; E117-E120 HydrophobicContact CB-CB 4.5Å; E117-E120 HydrophobicContact CB-CG 4.15Å; E117-E120 PolarHBondContact N-OE2 2.85Å; E117-E120 WeakPolarHBondContact O-CA 3.44Å; E117-E120 VanDerWaalsContact O-CB 3.3Å; E117-E120 WeakPolarHBondContact O-CB 3.33Å; E117-E120 PolarHBondContact O-N 2.83Å; P118-E120 VanDerWaalsContact C-N 3.32Å; E120-N122 PolarHBondContact O-N 2.94Å; E120-F123 VanDerWaalsContact CA-CE1 3.44Å; E120-F123 HydrophobicContact CB-CE1 4.33Å; E120-F123 HydrophobicContact CB-CZ 4.25Å; E120-F123 HydrophobicContact CG-CZ 4.17Å; E120-F123 WeakPolarHBondContact O-CD1 3.31Å; E120-F123 PolarHBondContact O-N 3.33Å; E120-A124 HydrophobicContact CB-CB 3.55Å; E120-A124 HydrophobicContact CG-CB 4.09Å; E120-A124 PolarHBondContact O-N 2.95Å; E120-R128 IonicContact OE1-CZ 3.05Å; E120-R128 IonicContact OE1-NE 3.33Å; E120-R128 IonicContact OE1-NH2 2.75Å; E120-R128 PolarHBondContact OE1-NH2 3.38Å; E120-R128 IonicContact OE2-CZ 2.71Å; E120-R128 IonicContact OE2-NE 3.49Å; E120-R128 PolarHBondContact OE2-NE 3.45Å; E120-R128 VanDerWaalsContact OE2-NE 3.13Å; E120-R128 IonicContact OE2-NH2 3.53Å; E120-R128 PolarHBondContact OE2-NH2 2.85Å; E120-I157 VanDerWaalsContact OE1-CD1 3.26Å; E120-I157 WeakPolarHBondContact OE1-CD1 3.33Å
121	K	89.8	Confident	95.1	Very high	146 Å²	146	29.8 Å²	29.8	64%	0.635	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	129.9	-174.3	-169.4	178.1	179.1	173	0	111.1	P118 W119	P118-K121 WeakPolarHBondContact O-CB 3.3Å; W119-K121 VanDerWaalsContact C-N 3.3Å
122	N	87.4	Confident	95.2	Very high	135 Å²	135	30.5 Å²	30.5	72%	0.722	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	0.7	177.2	-40.2	-56.2	0	0	0	117.6	E120	E120-N122 PolarHBondContact O-N 2.94Å
123	F	93	Very high	95.3	Very high	9 Å²	9	31.3 Å²	31.3	4%	0.039	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134	-26.2	176.6	76.7	-92.3	0	0	0	115.1	A40 W119 E120 Y127 T216	A40-F123 HydrophobicContact CB-CZ 4.37Å; W119-F123 HydrophobicContact CE3-CZ 4.3Å; W119-F123 AromaticContact CZ3-CZ 3.86Å; W119-F123 HydrophobicContact CZ3-CZ 3.86Å; E120-F123 VanDerWaalsContact CA-CE1 3.44Å; E120-F123 HydrophobicContact CB-CE1 4.33Å; E120-F123 HydrophobicContact CB-CZ 4.25Å; E120-F123 HydrophobicContact CG-CZ 4.17Å; E120-F123 WeakPolarHBondContact O-CD1 3.31Å; E120-F123 PolarHBondContact O-N 3.33Å; F123-Y127 HydrophobicContact CD2-CE2 4.48Å; F123-Y127 VanDerWaalsContact O-CD2 3.3Å; F123-Y127 WeakPolarHBondContact O-CD2 3.07Å; F123-Y127 VanDerWaalsContact O-CE2 3.31Å; F123-Y127 WeakPolarHBondContact O-CE2 3.12Å; F123-T216 WeakPolarHBondContact CB-O 3.36Å; F123-T216 HydrophobicContact CD1-CG2 3.82Å; F123-T216 HydrophobicContact CE1-CG2 3.67Å; F123-T216 HydrophobicContact CE2-CG2 4.48Å; F123-T216 HydrophobicContact CG-CG2 4.27Å; F123-T216 HydrophobicContact CZ-CG2 4.05Å
124	A	95.6	Very high	95.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-82.4	-15.4	-172.5	0	0	0	0	0	115	E120 C126 Y127 R128 I157	E120-A124 HydrophobicContact CB-CB 3.55Å; E120-A124 HydrophobicContact CG-CB 4.09Å; E120-A124 PolarHBondContact O-N 2.95Å; A124-C126 VanDerWaalsContact C-N 3.34Å; A124-C126 PolarHBondContact O-N 3.42Å; A124-Y127 CarbonylContact O-C 3.6Å; A124-Y127 WeakPolarHBondContact O-CA 3.47Å; A124-Y127 WeakPolarHBondContact O-CB 3.32Å; A124-Y127 PolarHBondContact O-N 3.12Å; A124-R128 HydrophobicContact CB-CG 4.2Å; A124-R128 WeakPolarHBondContact O-CG 3.44Å; A124-R128 PolarHBondContact O-N 3.1Å; A124-I157 HydrophobicContact CB-CD1 3.72Å
125	C	94.6	Very high	95.1	Very high	42 Å²	42	31 Å²	31	28%	0.284	17%	0.168	S	C	.	.	H	α-helix	trans	-52.3	-47.6	-169.5	56.6	0	0	0	0	113.1	Y127 R128 N129 P287	C125-Y127 VanDerWaalsContact C-N 3.34Å; C125-Y127 PolarHBondContact O-N 3.33Å; C125-R128 PolarHBondContact O-N 3.16Å; C125-N129 WeakPolarHBondContact O-CB 3.46Å; C125-N129 VanDerWaalsContact O-CG 3.24Å; C125-N129 PolarHBondContact O-N 2.96Å; C125-P287 HydrophobicContact CB-CG 4.08Å
126	C	96.1	Very high	95	Very high	28 Å²	28	31.8 Å²	31.8	19%	0.189	17%	0.173	C	C	.	.	H	α-helix	trans	-65.8	-35.3	177.5	-67.6	0	0	0	0	112.8	A124 N129 A130 L219 M224	A124-C126 VanDerWaalsContact C-N 3.34Å; A124-C126 PolarHBondContact O-N 3.42Å; C126-N129 PolarHBondContact O-N 3.25Å; C126-A130 WeakPolarHBondContact O-CB 3.08Å; C126-A130 PolarHBondContact O-N 3.44Å; C126-L219 HydrophobicContact CB-CB 3.85Å; C126-L219 PolarHBondContact SG-O 3.25Å; C126-M224 HydrophobicContact CB-SD 4.11Å; C126-M224 WeakPolarHBondContact O-CE 3.2Å
127	Y	97.8	Very high	94.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-70.4	-38.5	176	-55.6	-88.5	0	0	0	112	F123 A124 C125 A130 Q131 I157 L160 Q161 I212 A217 L219	F123-Y127 HydrophobicContact CD2-CE2 4.48Å; F123-Y127 VanDerWaalsContact O-CD2 3.3Å; F123-Y127 WeakPolarHBondContact O-CD2 3.07Å; F123-Y127 VanDerWaalsContact O-CE2 3.31Å; F123-Y127 WeakPolarHBondContact O-CE2 3.12Å; A124-Y127 CarbonylContact O-C 3.6Å; A124-Y127 WeakPolarHBondContact O-CA 3.47Å; A124-Y127 WeakPolarHBondContact O-CB 3.32Å; A124-Y127 PolarHBondContact O-N 3.12Å; C125-Y127 VanDerWaalsContact C-N 3.34Å; C125-Y127 PolarHBondContact O-N 3.33Å; Y127-A130 VanDerWaalsContact O-CB 3.31Å; Y127-A130 WeakPolarHBondContact O-CB 3.17Å; Y127-A130 PolarHBondContact O-N 2.83Å; Y127-Q131 WeakPolarHBondContact O-CG 3.16Å; Y127-Q131 PolarHBondContact O-N 2.96Å; Y127-I157 HydrophobicContact CD1-CG2 3.9Å; Y127-I157 HydrophobicContact CD2-CG2 4.13Å; Y127-I157 HydrophobicContact CE1-CG2 4.28Å; Y127-I157 HydrophobicContact CE2-CG2 4.48Å; Y127-I157 HydrophobicContact CG-CG1 4.49Å; Y127-I157 HydrophobicContact CG-CG2 3.79Å; Y127-L160 HydrophobicContact CD1-CB 4Å; Y127-L160 HydrophobicContact CD1-CD1 4.33Å; Y127-Q161 HydrophobicContact CD1-CG 4.43Å; Y127-Q161 HydrophobicContact CE1-CG 3.52Å; Y127-I212 WeakPolarHBondContact OH-CD1 3.28Å; Y127-A217 WeakPolarHBondContact CE2-O 3.41Å; Y127-A217 PolarHBondContact OH-O 3.47Å; Y127-L219 HydrophobicContact CD1-CD1 3.85Å; Y127-L219 HydrophobicContact CD1-CG 4.42Å; Y127-L219 HydrophobicContact CE1-CD1 3.49Å; Y127-L219 VanDerWaalsContact CE1-CD1 3.49Å; Y127-L219 HydrophobicContact CE1-CD2 4.13Å; Y127-L219 HydrophobicContact CE1-CG 3.78Å; Y127-L219 HydrophobicContact CE2-CD1 4.37Å; Y127-L219 HydrophobicContact CE2-CG 3.91Å; Y127-L219 HydrophobicContact CG-CD1 4.45Å; Y127-L219 WeakPolarHBondContact OH-CD2 3.36Å
128	R	97.5	Very high	94.7	Very high	8 Å²	8	32 Å²	32	3%	0.03	17%	0.172	C	C	.	.	H	α-helix	trans	-66.3	-40.2	174.2	-65.7	-56.6	-176.4	-175.7	4.2	111.5	D78 T82 F114 A115 E120 A124 C125 A130 Q131 C132 P287	D78-R128 IonicContact OD2-NH1 3.54Å; D78-R128 PolarHBondContact OD2-NH1 3.25Å; T82-R128 PolarHBondContact OG1-NH1 3.02Å; F114-R128 HydrophobicContact CB-CB 4.5Å; A115-R128 PolarHBondContact O-NE 3.45Å; E120-R128 IonicContact OE1-CZ 3.05Å; E120-R128 IonicContact OE1-NE 3.33Å; E120-R128 IonicContact OE1-NH2 2.75Å; E120-R128 PolarHBondContact OE1-NH2 3.38Å; E120-R128 IonicContact OE2-CZ 2.71Å; E120-R128 IonicContact OE2-NE 3.49Å; E120-R128 PolarHBondContact OE2-NE 3.45Å; E120-R128 VanDerWaalsContact OE2-NE 3.13Å; E120-R128 IonicContact OE2-NH2 3.53Å; E120-R128 PolarHBondContact OE2-NH2 2.85Å; A124-R128 HydrophobicContact CB-CG 4.2Å; A124-R128 WeakPolarHBondContact O-CG 3.44Å; A124-R128 PolarHBondContact O-N 3.1Å; C125-R128 PolarHBondContact O-N 3.16Å; R128-A130 VanDerWaalsContact C-N 3.31Å; R128-A130 PolarHBondContact O-N 3.19Å; R128-Q131 VanDerWaalsContact CD-OE1 3.28Å; R128-Q131 WeakPolarHBondContact O-CB 3.47Å; R128-Q131 PolarHBondContact O-N 3.04Å; R128-C132 PolarHBondContact O-N 2.83Å; R128-P287 HydrophobicContact CB-CB 3.62Å; R128-P287 HydrophobicContact CB-CG 4.49Å; R128-P287 HydrophobicContact CG-CB 4.3Å
129	N	95.6	Very high	94.5	Very high	62 Å²	62	30.9 Å²	30.9	33%	0.332	16%	0.156	S	C	.	.	H	α-helix	trans	-61.2	-40.7	170	-71.3	-11.9	0	0	0	111.5	C125 C126 Q131 C132 I133 P287	C125-N129 WeakPolarHBondContact O-CB 3.46Å; C125-N129 VanDerWaalsContact O-CG 3.24Å; C125-N129 PolarHBondContact O-N 2.96Å; C126-N129 PolarHBondContact O-N 3.25Å; N129-Q131 VanDerWaalsContact C-N 3.32Å; N129-Q131 PolarHBondContact O-N 2.6Å; N129-C132 WeakPolarHBondContact O-CB 3Å; N129-C132 PolarHBondContact O-N 3.35Å; N129-I133 WeakPolarHBondContact O-CG1 3.36Å; N129-I133 PolarHBondContact O-N 2.96Å; N129-P287 WeakPolarHBondContact OD1-CD 3.22Å; N129-P287 WeakPolarHBondContact OD1-CG 3.31Å
130	A	97.7	Very high	94.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.5	-43	174.7	0	0	0	0	0	111.6	C126 Y127 R128 I133 L134 L160 M224 L227 F228	C126-A130 WeakPolarHBondContact O-CB 3.08Å; C126-A130 PolarHBondContact O-N 3.44Å; Y127-A130 VanDerWaalsContact O-CB 3.31Å; Y127-A130 WeakPolarHBondContact O-CB 3.17Å; Y127-A130 PolarHBondContact O-N 2.83Å; R128-A130 VanDerWaalsContact C-N 3.31Å; R128-A130 PolarHBondContact O-N 3.19Å; A130-I133 PolarHBondContact O-N 3.09Å; A130-L134 WeakPolarHBondContact O-CB 3.43Å; A130-L134 VanDerWaalsContact O-CG 3.24Å; A130-L134 WeakPolarHBondContact O-CG 3.49Å; A130-L134 PolarHBondContact O-N 2.85Å; A130-L160 HydrophobicContact CB-CD1 3.94Å; A130-M224 HydrophobicContact CB-CE 3.55Å; A130-M224 HydrophobicContact CB-SD 4.43Å; A130-L227 HydrophobicContact CB-CD2 4.4Å; A130-F228 HydrophobicContact CB-CZ 4.13Å
131	Q	97.3	Very high	94.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-39.4	175.4	-67.7	178.2	-44.5	0	0	112.2	D78 F114 Y127 R128 N129 L134 S135 M154 P155 L160	D78-Q131 VanDerWaalsContact CG-NE2 3.31Å; D78-Q131 PolarHBondContact OD2-NE2 3.42Å; F114-Q131 HydrophobicContact CB-CB 4.18Å; F114-Q131 HydrophobicContact CD1-CB 4.06Å; F114-Q131 HydrophobicContact CD2-CB 3.59Å; F114-Q131 HydrophobicContact CE1-CB 4.36Å; F114-Q131 HydrophobicContact CE2-CB 3.92Å; F114-Q131 HydrophobicContact CG-CB 3.67Å; F114-Q131 HydrophobicContact CZ-CB 4.31Å; Y127-Q131 WeakPolarHBondContact O-CG 3.16Å; Y127-Q131 PolarHBondContact O-N 2.96Å; R128-Q131 VanDerWaalsContact CD-OE1 3.28Å; R128-Q131 WeakPolarHBondContact O-CB 3.47Å; R128-Q131 PolarHBondContact O-N 3.04Å; N129-Q131 VanDerWaalsContact C-N 3.32Å; N129-Q131 PolarHBondContact O-N 2.6Å; Q131-L134 PolarHBondContact O-N 3.39Å; Q131-S135 WeakPolarHBondContact O-CB 3.49Å; Q131-S135 PolarHBondContact O-N 3.13Å; Q131-S135 PolarHBondContact O-OG 3.24Å; Q131-M154 HydrophobicContact CB-CG 4.07Å; Q131-M154 HydrophobicContact CB-SD 4.01Å; Q131-M154 HydrophobicContact CG-CG 3.93Å; Q131-M154 HydrophobicContact CG-SD 4.18Å; Q131-P155 PolarHBondContact NE2-O 3.37Å; Q131-L160 HydrophobicContact CG-CD1 4.16Å
132	C	95.7	Very high	94.1	Very high	21 Å²	21	35.1 Å²	35.1	14%	0.142	19%	0.188	C	C	.	.	H	α-helix	trans	-63.7	-40.1	174.3	-171.1	0	0	0	0	112.4	D112 R128 N129 S135 S136	D112-C132 PolarHBondContact O-SG 3Å; D112-C132 VanDerWaalsContact O-SG 3.35Å; R128-C132 PolarHBondContact O-N 2.83Å; N129-C132 WeakPolarHBondContact O-CB 3Å; N129-C132 PolarHBondContact O-N 3.35Å; C132-S135 PolarHBondContact O-OG 3.4Å; C132-S136 PolarHBondContact O-N 2.84Å
133	I	95.4	Very high	94.3	Very high	39 Å²	39	29.8 Å²	29.8	20%	0.2	16%	0.158	C	C	.	.	H	α-helix	trans	-67	-48.5	174.6	-68	165.3	0	0	0	109.7	N129 A130 S135 S136 L137 F228 L344 I346	N129-I133 WeakPolarHBondContact O-CG1 3.36Å; N129-I133 PolarHBondContact O-N 2.96Å; A130-I133 PolarHBondContact O-N 3.09Å; I133-S135 PolarHBondContact O-N 3.26Å; I133-S136 PolarHBondContact O-N 3.04Å; I133-S136 VanDerWaalsContact O-N 3.09Å; I133-S136 PolarHBondContact O-OG 2.71Å; I133-L137 HydrophobicContact CG2-CD1 4.03Å; I133-L137 HydrophobicContact CG2-CG 4.29Å; I133-L137 WeakPolarHBondContact O-CG 3.19Å; I133-L137 PolarHBondContact O-N 3.31Å; I133-F228 HydrophobicContact CB-CE1 4.47Å; I133-F228 HydrophobicContact CB-CZ 3.87Å; I133-F228 HydrophobicContact CD1-CE2 4.02Å; I133-F228 HydrophobicContact CD1-CZ 3.96Å; I133-F228 HydrophobicContact CG2-CE1 3.92Å; I133-F228 HydrophobicContact CG2-CE2 4.47Å; I133-F228 HydrophobicContact CG2-CZ 3.66Å; I133-L344 HydrophobicContact CD1-CD2 4.04Å; I133-I346 HydrophobicContact CG2-CD1 4.02Å; I133-I346 HydrophobicContact CG2-CG1 3.9Å
134	L	95.9	Very high	94.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60	-34.2	178.7	-73.7	174.3	0	0	0	112.2	L22 A130 Q131 S136 L137 F138 F148 M154 P155 L160 F228 I231 I233	L22-L134 HydrophobicContact CD1-CD1 4.48Å; L22-L134 HydrophobicContact CD1-CD2 4.03Å; A130-L134 WeakPolarHBondContact O-CB 3.43Å; A130-L134 VanDerWaalsContact O-CG 3.24Å; A130-L134 WeakPolarHBondContact O-CG 3.49Å; A130-L134 PolarHBondContact O-N 2.85Å; Q131-L134 PolarHBondContact O-N 3.39Å; L134-S136 VanDerWaalsContact C-N 3.34Å; L134-L137 PolarHBondContact O-N 3.06Å; L134-F138 WeakPolarHBondContact O-CB 2.97Å; L134-F138 PolarHBondContact O-N 3.32Å; L134-F148 HydrophobicContact CB-CZ 4.14Å; L134-F148 HydrophobicContact CD2-CZ 4.3Å; L134-F148 WeakPolarHBondContact O-CZ 3.31Å; L134-M154 HydrophobicContact CB-CE 4.12Å; L134-M154 HydrophobicContact CB-SD 3.71Å; L134-M154 HydrophobicContact CD1-SD 4.28Å; L134-P155 HydrophobicContact CD1-CG 3.57Å; L134-L160 HydrophobicContact CD1-CD2 4Å; L134-F228 HydrophobicContact CD2-CE1 3.95Å; L134-F228 HydrophobicContact CG-CE1 4.05Å; L134-I231 HydrophobicContact CD2-CD1 3.99Å; L134-I233 HydrophobicContact CD2-CD1 4.33Å
135	S	95.1	Very high	93.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-69.5	-31.1	177	74.8	0	0	0	0	113	D112 Q131 C132 I133 R139	D112-S135 PolarHBondContact N-OG 3.05Å; D112-S135 PolarHBondContact O-OG 3.24Å; D112-S135 WeakPolarHBondContact OD2-CB 3.1Å; Q131-S135 WeakPolarHBondContact O-CB 3.49Å; Q131-S135 PolarHBondContact O-N 3.13Å; Q131-S135 PolarHBondContact O-OG 3.24Å; C132-S135 PolarHBondContact O-OG 3.4Å; I133-S135 PolarHBondContact O-N 3.26Å; S135-R139 PolarHBondContact O-NH1 2.9Å
136	S	93.5	Very high	93.4	Very high	19 Å²	19	43.2 Å²	43.2	13%	0.133	21%	0.207	C	C	.	.	H	α-helix	trans	-71	-45.6	171.2	83.9	0	0	0	0	111.2	D110 C132 I133 L134 F138 R139	D110-S136 WeakPolarHBondContact O-CA 3.43Å; C132-S136 PolarHBondContact O-N 2.84Å; I133-S136 PolarHBondContact O-N 3.04Å; I133-S136 VanDerWaalsContact O-N 3.09Å; I133-S136 PolarHBondContact O-OG 2.71Å; L134-S136 VanDerWaalsContact C-N 3.34Å; S136-F138 VanDerWaalsContact C-N 3.26Å; S136-F138 PolarHBondContact O-N 2.85Å; S136-R139 WeakPolarHBondContact O-CB 3.01Å; S136-R139 PolarHBondContact O-N 3.11Å
137	L	93.3	Very high	93.1	Very high	6 Å²	6	42 Å²	42	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-63.9	-31.8	177.8	-62	-177.6	0	0	0	112.2	I133 L134 R139 I140 F143 L147 I233 I346	I133-L137 HydrophobicContact CG2-CD1 4.03Å; I133-L137 HydrophobicContact CG2-CG 4.29Å; I133-L137 WeakPolarHBondContact O-CG 3.19Å; I133-L137 PolarHBondContact O-N 3.31Å; L134-L137 PolarHBondContact O-N 3.06Å; L137-R139 PolarHBondContact O-N 3.39Å; L137-I140 HydrophobicContact CD2-CD1 4.23Å; L137-I140 PolarHBondContact O-N 2.69Å; L137-I140 VanDerWaalsContact O-N 3.09Å; L137-F143 HydrophobicContact CB-CB 3.99Å; L137-F143 HydrophobicContact CB-CG 4.2Å; L137-F143 HydrophobicContact CD1-CD1 4.24Å; L137-F143 HydrophobicContact CD1-CE1 4.46Å; L137-F143 HydrophobicContact CD2-CD1 4.03Å; L137-F143 HydrophobicContact CD2-CD2 3.89Å; L137-F143 HydrophobicContact CD2-CE1 4.04Å; L137-F143 HydrophobicContact CD2-CE2 3.9Å; L137-F143 HydrophobicContact CD2-CG 3.94Å; L137-F143 HydrophobicContact CD2-CZ 3.96Å; L137-F143 HydrophobicContact CG-CD1 4.49Å; L137-F143 HydrophobicContact CG-CG 4.49Å; L137-F143 WeakPolarHBondContact O-CB 3.26Å; L137-L147 HydrophobicContact CB-CD1 4.31Å; L137-L147 HydrophobicContact CD1-CD1 4.2Å; L137-I233 HydrophobicContact CD1-CD1 3.45Å; L137-I233 VanDerWaalsContact CD1-CD1 3.45Å; L137-I233 HydrophobicContact CD1-CG1 4.19Å; L137-I346 HydrophobicContact CD2-CG2 4.14Å
138	F	92.5	Very high	92.5	Very high	43 Å²	43	42 Å²	42	19%	0.189	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28	174.1	-177	-97.1	0	0	0	113.2	L134 S136 I140 R144 F148	L134-F138 WeakPolarHBondContact O-CB 2.97Å; L134-F138 PolarHBondContact O-N 3.32Å; S136-F138 VanDerWaalsContact C-N 3.26Å; S136-F138 PolarHBondContact O-N 2.85Å; F138-I140 VanDerWaalsContact C-N 3.35Å; F138-R144 HydrophobicContact CD2-CG 4.13Å; F138-R144 HydrophobicContact CE2-CG 4.14Å; F138-R144 VanDerWaalsContact CZ-NH2 3.29Å; F138-R144 WeakPolarHBondContact O-CB 3.23Å; F138-R144 WeakPolarHBondContact O-CD 3.41Å; F138-R144 WeakPolarHBondContact O-CG 2.86Å; F138-F148 HydrophobicContact CB-CD2 4.41Å; F138-F148 HydrophobicContact CB-CE1 4.41Å; F138-F148 HydrophobicContact CB-CE2 3.85Å; F138-F148 HydrophobicContact CB-CZ 3.85Å; F138-F148 HydrophobicContact CD2-CB 4.14Å; F138-F148 AromaticContact CD2-CD1 3.67Å; F138-F148 HydrophobicContact CD2-CD1 3.67Å; F138-F148 AromaticContact CD2-CD2 3.71Å; F138-F148 HydrophobicContact CD2-CD2 3.71Å; F138-F148 AromaticContact CD2-CE1 3.91Å; F138-F148 HydrophobicContact CD2-CE1 3.91Å; F138-F148 AromaticContact CD2-CE2 3.95Å; F138-F148 HydrophobicContact CD2-CE2 3.95Å; F138-F148 AromaticContact CD2-CG 3.56Å; F138-F148 HydrophobicContact CD2-CG 3.56Å; F138-F148 HydrophobicContact CD2-CZ 4.05Å; F138-F148 HydrophobicContact CE2-CB 4.19Å; F138-F148 HydrophobicContact CE2-CD1 4.21Å; F138-F148 HydrophobicContact CE2-CG 4.08Å; F138-F148 HydrophobicContact CG-CE2 4.43Å; F138-F148 HydrophobicContact CG-CZ 4.45Å
139	R	90.6	Very high	91.5	Very high	69 Å²	69	43.7 Å²	43.7	26%	0.26	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-9.8	179	-70.3	158.9	166.3	92.4	-5.8	113	D85 D110 D112 S135 S136 L137	D85-R139 IonicContact OD1-NH2 3.62Å; D85-R139 PolarHBondContact OD1-NH2 3.23Å; D110-R139 VanDerWaalsContact C-CD 3.44Å; D110-R139 VanDerWaalsContact CG-NE 3.33Å; D110-R139 WeakPolarHBondContact O-CD 3.29Å; D110-R139 IonicContact OD2-CZ 3.19Å; D110-R139 IonicContact OD2-NE 2.73Å; D110-R139 PolarHBondContact OD2-NE 3.41Å; D110-R139 IonicContact OD2-NH2 2.78Å; D112-R139 IonicContact OD1-CZ 3.58Å; D112-R139 IonicContact OD1-NH1 3.67Å; D112-R139 PolarHBondContact OD1-NH1 3.25Å; D112-R139 IonicContact OD1-NH2 2.67Å; D112-R139 PolarHBondContact OD1-NH2 2.86Å; D112-R139 IonicContact OD2-CZ 3.69Å; D112-R139 IonicContact OD2-NH1 2.85Å; D112-R139 PolarHBondContact OD2-NH1 3.23Å; D112-R139 IonicContact OD2-NH2 3.46Å; S135-R139 PolarHBondContact O-NH1 2.9Å; S136-R139 WeakPolarHBondContact O-CB 3.01Å; S136-R139 PolarHBondContact O-N 3.11Å; L137-R139 PolarHBondContact O-N 3.39Å
140	I	90.6	Very high	90.4	Very high	44 Å²	44	46.1 Å²	46.1	23%	0.226	24%	0.24	C	C	.	.	S	Bend	trans	-95.7	117.2	177.1	-56.3	173.6	0	0	0	108.5	V109 L137 F138 E142 F143 R144	V109-I140 HydrophobicContact CG1-CG1 4.34Å; L137-I140 HydrophobicContact CD2-CD1 4.23Å; L137-I140 PolarHBondContact O-N 2.69Å; L137-I140 VanDerWaalsContact O-N 3.09Å; F138-I140 VanDerWaalsContact C-N 3.35Å; I140-E142 VanDerWaalsContact C-N 3.29Å; I140-E142 WeakPolarHBondContact CG2-OE2 3.36Å; I140-E142 PolarHBondContact O-N 2.75Å; I140-F143 HydrophobicContact CB-CB 4.44Å; I140-F143 HydrophobicContact CB-CD2 3.81Å; I140-F143 HydrophobicContact CD1-CD2 4Å; I140-F143 HydrophobicContact CD1-CE2 4.17Å; I140-F143 HydrophobicContact CG2-CD2 3.62Å; I140-F143 HydrophobicContact CG2-CE2 4.28Å; I140-F143 PolarHBondContact O-N 2.8Å; I140-R144 WeakPolarHBondContact O-CB 3.37Å; I140-R144 PolarHBondContact O-N 3.13Å
141	P	90.4	Very high	89.1	Confident	90 Å²	90	48.9 Å²	48.9	58%	0.584	26%	0.257	S	S	*	.	H	α-helix	trans	-53.8	-40.2	-171.4	-29.3	36.2	0	0	0	115	R144 K145	P141-R144 PolarHBondContact O-N 3.12Å; P141-K145 WeakPolarHBondContact O-CB 2.94Å; P141-K145 PolarHBondContact O-N 2.71Å
142	E	89.9	Confident	88.3	Confident	122 Å²	122	52.5 Å²	52.5	57%	0.57	28%	0.282	S	S	*	.	H	α-helix	trans	-63.5	-49.8	-178.2	-61.8	73.2	-159.3	0	0	110.8	I140 R146	I140-E142 VanDerWaalsContact C-N 3.29Å; I140-E142 WeakPolarHBondContact CG2-OE2 3.36Å; I140-E142 PolarHBondContact O-N 2.75Å; E142-R146 PolarHBondContact O-N 3.04Å
143	F	91.9	Very high	87.9	Confident	23 Å²	23	53 Å²	53	10%	0.101	29%	0.287	C	S	.	.	H	α-helix	trans	-67.7	-42.2	175.3	-71.7	-80.4	0	0	0	111.7	L137 I140 K145 R146 L147 I233 I346 L349	L137-F143 HydrophobicContact CB-CB 3.99Å; L137-F143 HydrophobicContact CB-CG 4.2Å; L137-F143 HydrophobicContact CD1-CD1 4.24Å; L137-F143 HydrophobicContact CD1-CE1 4.46Å; L137-F143 HydrophobicContact CD2-CD1 4.03Å; L137-F143 HydrophobicContact CD2-CD2 3.89Å; L137-F143 HydrophobicContact CD2-CE1 4.04Å; L137-F143 HydrophobicContact CD2-CE2 3.9Å; L137-F143 HydrophobicContact CD2-CG 3.94Å; L137-F143 HydrophobicContact CD2-CZ 3.96Å; L137-F143 HydrophobicContact CG-CD1 4.49Å; L137-F143 HydrophobicContact CG-CG 4.49Å; L137-F143 WeakPolarHBondContact O-CB 3.26Å; I140-F143 HydrophobicContact CB-CB 4.44Å; I140-F143 HydrophobicContact CB-CD2 3.81Å; I140-F143 HydrophobicContact CD1-CD2 4Å; I140-F143 HydrophobicContact CD1-CE2 4.17Å; I140-F143 HydrophobicContact CG2-CD2 3.62Å; I140-F143 HydrophobicContact CG2-CE2 4.28Å; I140-F143 PolarHBondContact O-N 2.8Å; F143-K145 VanDerWaalsContact C-N 3.34Å; F143-K145 PolarHBondContact O-N 3.34Å; F143-R146 PolarHBondContact O-N 3.39Å; F143-L147 HydrophobicContact CB-CD1 3.99Å; F143-L147 HydrophobicContact CD1-CD1 4.02Å; F143-L147 HydrophobicContact CG-CD1 4.49Å; F143-L147 WeakPolarHBondContact O-CB 3.43Å; F143-L147 VanDerWaalsContact O-CG 3.22Å; F143-L147 WeakPolarHBondContact O-CG 3.35Å; F143-L147 PolarHBondContact O-N 3.27Å; F143-I233 HydrophobicContact CD1-CG1 4.35Å; F143-I233 HydrophobicContact CE1-CG1 4.33Å; F143-I346 HydrophobicContact CE1-CG2 4.34Å; F143-I346 HydrophobicContact CZ-CG2 4.11Å; F143-L349 HydrophobicContact CD1-CD2 3.42Å; F143-L349 VanDerWaalsContact CD1-CD2 3.42Å; F143-L349 HydrophobicContact CD1-CG 4Å; F143-L349 HydrophobicContact CE1-CD2 3.7Å; F143-L349 HydrophobicContact CE1-CG 3.98Å; F143-L349 HydrophobicContact CG-CD2 4.31Å
144	R	90.3	Very high	87.9	Confident	108 Å²	108	52.4 Å²	52.4	41%	0.408	28%	0.284	S	S	.	.	H	α-helix	trans	-55.8	-49.5	179.9	-171.7	-178.3	-179.8	157.5	-0.8	111.7	F138 I140 P141 R146 F148 S152	F138-R144 HydrophobicContact CD2-CG 4.13Å; F138-R144 HydrophobicContact CE2-CG 4.14Å; F138-R144 VanDerWaalsContact CZ-NH2 3.29Å; F138-R144 WeakPolarHBondContact O-CB 3.23Å; F138-R144 WeakPolarHBondContact O-CD 3.41Å; F138-R144 WeakPolarHBondContact O-CG 2.86Å; I140-R144 WeakPolarHBondContact O-CB 3.37Å; I140-R144 PolarHBondContact O-N 3.13Å; P141-R144 PolarHBondContact O-N 3.12Å; R144-R146 VanDerWaalsContact C-N 3.32Å; R144-R146 PolarHBondContact O-N 3.24Å; R144-F148 PolarHBondContact O-N 2.92Å; R144-F148 VanDerWaalsContact O-N 3.15Å; R144-S152 PolarHBondContact NH2-OG 2.71Å
145	K	87.8	Confident	87.8	Confident	168 Å²	168	52.6 Å²	52.6	73%	0.73	29%	0.286	S	S	*	.	H	α-helix	trans	-59.4	-43.8	179.5	-175.5	-174	174.2	-165	0	111.2	P141 F143	P141-K145 WeakPolarHBondContact O-CB 2.94Å; P141-K145 PolarHBondContact O-N 2.71Å; F143-K145 VanDerWaalsContact C-N 3.34Å; F143-K145 PolarHBondContact O-N 3.34Å
146	R	86.8	Confident	87.8	Confident	56 Å²	56	52.6 Å²	52.6	21%	0.211	29%	0.285	C	S	.	.	H	α-helix	trans	-75.3	-41.4	-175.5	-177.7	59.1	171.6	119.8	-9.9	113.8	D16 S19 E142 F143 R144 L349	D16-R146 IonicContact OD1-CZ 3.79Å; D16-R146 IonicContact OD1-NH1 2.75Å; D16-R146 PolarHBondContact OD1-NH1 3.02Å; D16-R146 IonicContact OD1-NH2 3.75Å; D16-R146 PolarHBondContact OD1-NH2 2.76Å; S19-R146 VanDerWaalsContact CB-NH1 3.28Å; S19-R146 PolarHBondContact OG-NH1 3.26Å; E142-R146 PolarHBondContact O-N 3.04Å; F143-R146 PolarHBondContact O-N 3.39Å; R144-R146 VanDerWaalsContact C-N 3.32Å; R144-R146 PolarHBondContact O-N 3.24Å; R146-L349 HydrophobicContact CB-CD1 4.16Å; R146-L349 HydrophobicContact CB-CD2 4.13Å; R146-L349 HydrophobicContact CG-CD1 4.33Å; R146-L349 HydrophobicContact CG-CD2 3.9Å
147	L	89.8	Confident	87.9	Confident	3 Å²	3	52 Å²	52	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-95.6	-39	-166.8	-56.6	175.6	0	0	0	113.7	L22 L137 F143 I231 I233	L22-L147 WeakPolarHBondContact CB-O 3.24Å; L22-L147 HydrophobicContact CD1-CB 4.09Å; L137-L147 HydrophobicContact CB-CD1 4.31Å; L137-L147 HydrophobicContact CD1-CD1 4.2Å; F143-L147 HydrophobicContact CB-CD1 3.99Å; F143-L147 HydrophobicContact CD1-CD1 4.02Å; F143-L147 HydrophobicContact CG-CD1 4.49Å; F143-L147 WeakPolarHBondContact O-CB 3.43Å; F143-L147 VanDerWaalsContact O-CG 3.22Å; F143-L147 WeakPolarHBondContact O-CG 3.35Å; F143-L147 PolarHBondContact O-N 3.27Å; L147-I231 HydrophobicContact CD2-CG1 4.46Å; L147-I231 WeakPolarHBondContact CD2-O 3.26Å; L147-I233 HydrophobicContact CD1-CD1 3.6Å; L147-I233 HydrophobicContact CD1-CG1 3.91Å; L147-I233 HydrophobicContact CD2-CD1 4.07Å; L147-I233 HydrophobicContact CD2-CG1 3.86Å; L147-I233 HydrophobicContact CG-CD1 4.5Å; L147-I233 HydrophobicContact CG-CG1 4.5Å
148	F	86	Confident	88	Confident	1 Å²	1	52.2 Å²	52.2	0%	0.004	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-18.2	-169.1	-62.3	-92.7	0	0	0	113	L22 L134 F138 R144 S150 V151	L22-F148 HydrophobicContact CD1-CD1 3.83Å; L22-F148 HydrophobicContact CD1-CD2 4.45Å; L22-F148 HydrophobicContact CD1-CE1 3.56Å; L22-F148 HydrophobicContact CD1-CE2 4.22Å; L22-F148 HydrophobicContact CD1-CG 4.28Å; L22-F148 HydrophobicContact CD1-CZ 3.76Å; L134-F148 HydrophobicContact CB-CZ 4.14Å; L134-F148 HydrophobicContact CD2-CZ 4.3Å; L134-F148 WeakPolarHBondContact O-CZ 3.31Å; F138-F148 HydrophobicContact CB-CD2 4.41Å; F138-F148 HydrophobicContact CB-CE1 4.41Å; F138-F148 HydrophobicContact CB-CE2 3.85Å; F138-F148 HydrophobicContact CB-CZ 3.85Å; F138-F148 HydrophobicContact CD2-CB 4.14Å; F138-F148 AromaticContact CD2-CD1 3.67Å; F138-F148 HydrophobicContact CD2-CD1 3.67Å; F138-F148 AromaticContact CD2-CD2 3.71Å; F138-F148 HydrophobicContact CD2-CD2 3.71Å; F138-F148 AromaticContact CD2-CE1 3.91Å; F138-F148 HydrophobicContact CD2-CE1 3.91Å; F138-F148 AromaticContact CD2-CE2 3.95Å; F138-F148 HydrophobicContact CD2-CE2 3.95Å; F138-F148 AromaticContact CD2-CG 3.56Å; F138-F148 HydrophobicContact CD2-CG 3.56Å; F138-F148 HydrophobicContact CD2-CZ 4.05Å; F138-F148 HydrophobicContact CE2-CB 4.19Å; F138-F148 HydrophobicContact CE2-CD1 4.21Å; F138-F148 HydrophobicContact CE2-CG 4.08Å; F138-F148 HydrophobicContact CG-CE2 4.43Å; F138-F148 HydrophobicContact CG-CZ 4.45Å; R144-F148 PolarHBondContact O-N 2.92Å; R144-F148 VanDerWaalsContact O-N 3.15Å; F148-S150 PolarHBondContact O-N 3.31Å; F148-V151 PolarHBondContact O-N 2.96Å; F148-V151 VanDerWaalsContact O-N 3.12Å; F148-V151 VanDerWaalsContact O-O 3.11Å
149	G	76.4	Confident	88	Confident	42 Å²	42	50.5 Å²	50.5	43%	0.433	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	-130.4	-178.4	0	0	0	0	0	111.8
150	S	72.7	Confident	88.3	Confident	113 Å²	113	47.3 Å²	47.3	79%	0.79	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-14.5	177.5	57.4	0	0	0	0	114.6	F148	F148-S150 PolarHBondContact O-N 3.31Å
151	V	68.7	Low	88.5	Confident	58 Å²	58	45.3 Å²	45.3	35%	0.352	25%	0.251	S	S	.	.			trans	-95.9	104.3	-175.2	-179.1	0	0	0	0	109.1	N23 F148 A153	N23-V151 HydrophobicContact CB-CB 3.91Å; N23-V151 HydrophobicContact CB-CG2 3.91Å; F148-V151 PolarHBondContact O-N 2.96Å; F148-V151 VanDerWaalsContact O-N 3.12Å; F148-V151 VanDerWaalsContact O-O 3.11Å; V151-A153 VanDerWaalsContact C-N 3.28Å; V151-A153 HydrophobicContact CG1-CB 3.93Å; V151-A153 PolarHBondContact O-N 2.74Å; V151-A153 VanDerWaalsContact O-N 3.11Å
152	S	80.4	Confident	88.6	Confident	77 Å²	77	41.7 Å²	41.7	54%	0.538	23%	0.229	S	C	.	.			trans	-86.3	66.9	175	-63	0	0	0	0	110.8	R144	R144-S152 PolarHBondContact NH2-OG 2.71Å
153	A	88.2	Confident	88.8	Confident	30 Å²	30	36 Å²	36	25%	0.248	20%	0.203	C	C	.	.			trans	-134.5	143	176	0	0	0	0	0	110.9	I77 V151	I77-A153 HydrophobicContact CG1-CB 4.31Å; I77-A153 HydrophobicContact CG2-CB 3.96Å; V151-A153 VanDerWaalsContact C-N 3.28Å; V151-A153 HydrophobicContact CG1-CB 3.93Å; V151-A153 PolarHBondContact O-N 2.74Å; V151-A153 VanDerWaalsContact O-N 3.11Å
154	M	94.4	Very high	88.9	Confident	28 Å²	28	35 Å²	35	14%	0.138	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-75.3	131.6	175.5	-170.9	58.7	52	0	0	109.6	D78 F114 Q131 L134	D78-M154 HydrophobicContact CB-CB 4.16Å; D78-M154 HydrophobicContact CB-CG 4.39Å; D78-M154 WeakPolarHBondContact CB-O 2.95Å; D78-M154 PolarHBondContact N-O 3.05Å; F114-M154 HydrophobicContact CE1-CB 4.42Å; F114-M154 HydrophobicContact CE1-CG 3.94Å; F114-M154 HydrophobicContact CE2-CE 4.31Å; F114-M154 HydrophobicContact CE2-CG 4.37Å; F114-M154 HydrophobicContact CZ-CB 4.16Å; F114-M154 HydrophobicContact CZ-CE 4.15Å; F114-M154 HydrophobicContact CZ-CG 3.66Å; F114-M154 HydrophobicContact CZ-SD 4.41Å; Q131-M154 HydrophobicContact CB-CG 4.07Å; Q131-M154 HydrophobicContact CB-SD 4.01Å; Q131-M154 HydrophobicContact CG-CG 3.93Å; Q131-M154 HydrophobicContact CG-SD 4.18Å; L134-M154 HydrophobicContact CB-CE 4.12Å; L134-M154 HydrophobicContact CB-SD 3.71Å; L134-M154 HydrophobicContact CD1-SD 4.28Å
155	P	94.8	Very high	89.1	Confident	4 Å²	4	30.1 Å²	30.1	3%	0.026	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-59.7	139.5	171.2	25.6	-38.4	0	0	0	111.6	L22 G76 Q131 L134 K159 L160	L22-P155 HydrophobicContact CD2-CB 4.43Å; L22-P155 HydrophobicContact CD2-CG 4.03Å; G76-P155 CarbonylContact O-C 3.48Å; G76-P155 WeakPolarHBondContact O-CA 3.46Å; Q131-P155 PolarHBondContact NE2-O 3.37Å; L134-P155 HydrophobicContact CD1-CG 3.57Å; P155-K159 HydrophobicContact CB-CB 3.9Å; P155-K159 HydrophobicContact CB-CG 3.6Å; P155-L160 HydrophobicContact CB-CD2 4.04Å; P155-L160 HydrophobicContact CB-CG 4.33Å; P155-L160 HydrophobicContact CG-CD2 3.76Å; P155-L160 HydrophobicContact CG-CG 4.38Å
156	S	94.9	Very high	89.3	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-71.6	165.2	169.7	71.4	0	0	0	0	111.4	S72 G76 W158 K159 L160	S72-S156 WeakPolarHBondContact O-CB 3.41Å; S72-S156 PolarHBondContact O-OG 3.4Å; G76-S156 WeakPolarHBondContact CA-OG 3.36Å; G76-S156 PolarHBondContact O-N 3.47Å; S156-W158 PolarHBondContact O-N 2.86Å; S156-W158 PolarHBondContact OG-N 2.82Å; S156-K159 WeakPolarHBondContact O-CA 3.33Å; S156-K159 WeakPolarHBondContact O-CB 3.37Å; S156-K159 PolarHBondContact O-N 2.94Å; S156-K159 PolarHBondContact OG-N 2.93Å; S156-L160 WeakPolarHBondContact O-CG 3.32Å; S156-L160 PolarHBondContact O-N 3.2Å
157	I	95.7	Very high	89.6	Confident	7 Å²	7	21.2 Å²	21.2	4%	0.036	15%	0.148	C	C	.	.	H	α-helix	trans	-53.1	-42.6	171.9	-62.4	-173.6	0	0	0	111.3	E120 A124 Y127 K159 L160 Q161	E120-I157 VanDerWaalsContact OE1-CD1 3.26Å; E120-I157 WeakPolarHBondContact OE1-CD1 3.33Å; A124-I157 HydrophobicContact CB-CD1 3.72Å; Y127-I157 HydrophobicContact CD1-CG2 3.9Å; Y127-I157 HydrophobicContact CD2-CG2 4.13Å; Y127-I157 HydrophobicContact CE1-CG2 4.28Å; Y127-I157 HydrophobicContact CE2-CG2 4.48Å; Y127-I157 HydrophobicContact CG-CG1 4.49Å; Y127-I157 HydrophobicContact CG-CG2 3.79Å; I157-K159 VanDerWaalsContact C-N 3.3Å; I157-K159 PolarHBondContact O-N 2.75Å; I157-L160 PolarHBondContact O-N 2.95Å; I157-L160 VanDerWaalsContact O-N 3.17Å; I157-Q161 HydrophobicContact CG2-CG 4.39Å; I157-Q161 WeakPolarHBondContact O-CG 3.46Å; I157-Q161 PolarHBondContact O-N 3.15Å
158	W	94.4	Very high	89.8	Confident	10 Å²	10	22.1 Å²	22.1	4%	0.038	15%	0.151	C	C	.	.	H	α-helix	trans	-63	-33.9	176.7	-64.9	-84.7	0	0	0	113.2	Q41 I69 V73 W119 S156 A162 D214	Q41-W158 HydrophobicContact CB-CZ2 4.45Å; I69-W158 HydrophobicContact CD1-CH2 3.86Å; I69-W158 HydrophobicContact CD1-CZ3 4.47Å; I69-W158 HydrophobicContact CG2-CH2 4.2Å; V73-W158 HydrophobicContact CB-CD2 4.48Å; V73-W158 HydrophobicContact CG2-CD2 3.59Å; V73-W158 VanDerWaalsContact CG2-CE2 3.48Å; V73-W158 HydrophobicContact CG2-CE3 4.01Å; V73-W158 HydrophobicContact CG2-CG 4.01Å; V73-W158 HydrophobicContact CG2-CH2 4.25Å; V73-W158 HydrophobicContact CG2-CZ2 3.83Å; V73-W158 HydrophobicContact CG2-CZ3 4.33Å; W119-W158 AromaticContact CH2-CH2 3.96Å; W119-W158 HydrophobicContact CH2-CH2 3.96Å; W119-W158 HydrophobicContact CH2-CZ2 4.34Å; S156-W158 PolarHBondContact O-N 2.86Å; S156-W158 PolarHBondContact OG-N 2.82Å; W158-A162 WeakPolarHBondContact O-CB 3.44Å; W158-A162 PolarHBondContact O-N 2.89Å; W158-D214 PolarHBondContact NE1-OD1 2.65Å
159	K	93.8	Very high	90	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.035	17%	0.173	C	C	.	.	H	α-helix	trans	-69.5	-42.2	173.3	176.3	60.5	177.6	178.2	0	111.1	H21 L22 E24 P26 G76 P155 S156 I157 Q161 A162 L163	H21-K159 PolarHBondContact O-NZ 3.33Å; L22-K159 WeakPolarHBondContact O-CE 3.33Å; E24-K159 WeakPolarHBondContact O-CE 3.43Å; E24-K159 PolarHBondContact O-NZ 2.81Å; P26-K159 HydrophobicContact CB-CD 3.84Å; P26-K159 HydrophobicContact CG-CD 4.27Å; G76-K159 VanDerWaalsContact O-CB 3.28Å; G76-K159 WeakPolarHBondContact O-CB 3.46Å; P155-K159 HydrophobicContact CB-CB 3.9Å; P155-K159 HydrophobicContact CB-CG 3.6Å; S156-K159 WeakPolarHBondContact O-CA 3.33Å; S156-K159 WeakPolarHBondContact O-CB 3.37Å; S156-K159 PolarHBondContact O-N 2.94Å; S156-K159 PolarHBondContact OG-N 2.93Å; I157-K159 VanDerWaalsContact C-N 3.3Å; I157-K159 PolarHBondContact O-N 2.75Å; K159-Q161 VanDerWaalsContact C-N 3.35Å; K159-A162 PolarHBondContact O-N 3.19Å; K159-L163 HydrophobicContact CD-CD1 4.33Å; K159-L163 HydrophobicContact CD-CG 4.24Å; K159-L163 HydrophobicContact CG-CD1 4.15Å; K159-L163 VanDerWaalsContact O-CG 3.26Å; K159-L163 WeakPolarHBondContact O-CG 3.34Å; K159-L163 PolarHBondContact O-N 2.88Å
160	L	95.9	Very high	90.7	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-61.5	-42.9	175.1	-62.5	176.2	0	0	0	111.6	Y127 A130 Q131 L134 P155 S156 I157 A162 L163 L164 L227	Y127-L160 HydrophobicContact CD1-CB 4Å; Y127-L160 HydrophobicContact CD1-CD1 4.33Å; A130-L160 HydrophobicContact CB-CD1 3.94Å; Q131-L160 HydrophobicContact CG-CD1 4.16Å; L134-L160 HydrophobicContact CD1-CD2 4Å; P155-L160 HydrophobicContact CB-CD2 4.04Å; P155-L160 HydrophobicContact CB-CG 4.33Å; P155-L160 HydrophobicContact CG-CD2 3.76Å; P155-L160 HydrophobicContact CG-CG 4.38Å; S156-L160 WeakPolarHBondContact O-CG 3.32Å; S156-L160 PolarHBondContact O-N 3.2Å; I157-L160 PolarHBondContact O-N 2.95Å; I157-L160 VanDerWaalsContact O-N 3.17Å; L160-A162 PolarHBondContact O-N 3.43Å; L160-L163 HydrophobicContact CD2-CD1 4.47Å; L160-L163 PolarHBondContact O-N 2.89Å; L160-L164 PolarHBondContact O-N 2.89Å; L160-L227 HydrophobicContact CB-CD2 4.36Å; L160-L227 HydrophobicContact CD2-CD1 4.46Å; L160-L227 HydrophobicContact CD2-CD2 4.28Å
161	Q	94.8	Very high	91.6	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-45.4	172.8	-73.3	176.3	-22.2	0	0	111.9	Y127 I157 K159 L163 L164 E165 I212 V213 S215	Y127-Q161 HydrophobicContact CD1-CG 4.43Å; Y127-Q161 HydrophobicContact CE1-CG 3.52Å; I157-Q161 HydrophobicContact CG2-CG 4.39Å; I157-Q161 WeakPolarHBondContact O-CG 3.46Å; I157-Q161 PolarHBondContact O-N 3.15Å; K159-Q161 VanDerWaalsContact C-N 3.35Å; Q161-L163 VanDerWaalsContact C-N 3.33Å; Q161-L163 PolarHBondContact O-N 3.47Å; Q161-L164 PolarHBondContact O-N 3.5Å; Q161-E165 VanDerWaalsContact O-CB 3.3Å; Q161-E165 WeakPolarHBondContact O-CB 3.48Å; Q161-E165 PolarHBondContact O-N 2.86Å; Q161-I212 HydrophobicContact CB-CG2 4.16Å; Q161-I212 VanDerWaalsContact CD-O 3.31Å; Q161-I212 HydrophobicContact CG-CG1 4.46Å; Q161-I212 PolarHBondContact NE2-O 3.13Å; Q161-I212 WeakPolarHBondContact O-CG2 3.5Å; Q161-I212 PolarHBondContact OE1-O 3.46Å; Q161-V213 HydrophobicContact CB-CG2 4.32Å; Q161-S215 PolarHBondContact NE2-O 2.8Å
162	A	93.1	Very high	92.9	Very high	14 Å²	14	21.6 Å²	21.6	12%	0.116	14%	0.139	C	C	.	.	H	α-helix	trans	-65.9	-35.2	179	0	0	0	0	0	112.7	P26 L28 W158 K159 L160 S166 V213	P26-A162 HydrophobicContact CB-CB 3.91Å; L28-A162 HydrophobicContact CD2-CB 4.28Å; W158-A162 WeakPolarHBondContact O-CB 3.44Å; W158-A162 PolarHBondContact O-N 2.89Å; K159-A162 PolarHBondContact O-N 3.19Å; L160-A162 PolarHBondContact O-N 3.43Å; A162-S166 WeakPolarHBondContact O-CB 3.44Å; A162-S166 PolarHBondContact O-N 3.35Å; A162-S166 VanDerWaalsContact O-N 3.13Å; A162-V213 HydrophobicContact CB-CG2 4.15Å
163	L	94.1	Very high	93.7	Very high	4 Å²	4	18 Å²	18	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-64.5	-50.6	173	-71.4	167	0	0	0	110.3	M20 L22 K159 L160 Q161 E165 S166 A167 L227 I231	M20-L163 HydrophobicContact CB-CD2 3.51Å; M20-L163 HydrophobicContact CE-CB 4.06Å; M20-L163 HydrophobicContact CE-CD2 4.02Å; M20-L163 WeakPolarHBondContact CE-O 3.49Å; M20-L163 HydrophobicContact CG-CD2 4.46Å; M20-L163 HydrophobicContact SD-CD2 4.21Å; L22-L163 HydrophobicContact CD2-CD1 3.66Å; K159-L163 HydrophobicContact CD-CD1 4.33Å; K159-L163 HydrophobicContact CD-CG 4.24Å; K159-L163 HydrophobicContact CG-CD1 4.15Å; K159-L163 VanDerWaalsContact O-CG 3.26Å; K159-L163 WeakPolarHBondContact O-CG 3.34Å; K159-L163 PolarHBondContact O-N 2.88Å; L160-L163 HydrophobicContact CD2-CD1 4.47Å; L160-L163 PolarHBondContact O-N 2.89Å; Q161-L163 VanDerWaalsContact C-N 3.33Å; Q161-L163 PolarHBondContact O-N 3.47Å; L163-E165 PolarHBondContact O-N 3.22Å; L163-S166 PolarHBondContact O-N 3.46Å; L163-A167 PolarHBondContact O-N 3.49Å; L163-L227 HydrophobicContact CB-CD1 3.69Å; L163-L227 HydrophobicContact CD1-CD1 4.43Å; L163-I231 HydrophobicContact CD1-CG2 4.11Å; L163-I231 HydrophobicContact CD2-CG2 4.08Å
164	L	94.9	Very high	94	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.1	-43.4	179.2	-179.3	59.1	0	0	0	112.7	L160 Q161 S166 A167 W168 I212 L219 D223 L227	L160-L164 PolarHBondContact O-N 2.89Å; Q161-L164 PolarHBondContact O-N 3.5Å; L164-S166 VanDerWaalsContact C-N 3.26Å; L164-S166 PolarHBondContact O-N 2.99Å; L164-A167 VanDerWaalsContact O-CB 3.31Å; L164-A167 WeakPolarHBondContact O-CB 3.31Å; L164-A167 PolarHBondContact O-N 3.24Å; L164-A167 VanDerWaalsContact O-N 3.12Å; L164-W168 HydrophobicContact CD1-CD2 4.29Å; L164-W168 HydrophobicContact CD1-CZ2 3.98Å; L164-W168 HydrophobicContact CD2-CH2 3.82Å; L164-W168 HydrophobicContact CD2-CZ2 3.63Å; L164-W168 HydrophobicContact CG-CD2 4.1Å; L164-W168 HydrophobicContact CG-CE3 4.37Å; L164-W168 HydrophobicContact CG-CH2 3.98Å; L164-W168 HydrophobicContact CG-CZ2 3.67Å; L164-W168 HydrophobicContact CG-CZ3 4.31Å; L164-W168 PolarHBondContact O-N 3.47Å; L164-I212 HydrophobicContact CD2-CD1 3.92Å; L164-L219 HydrophobicContact CD2-CD1 4.05Å; L164-L219 HydrophobicContact CD2-CD2 3.46Å; L164-L219 VanDerWaalsContact CD2-CD2 3.46Å; L164-L219 HydrophobicContact CD2-CG 4.4Å; L164-D223 WeakPolarHBondContact CD1-O 3.36Å; L164-D223 HydrophobicContact CD2-CB 3.99Å; L164-L227 HydrophobicContact CB-CD1 4.35Å; L164-L227 HydrophobicContact CD1-CB 4.28Å
165	E	93.1	Very high	94	Very high	6 Å²	6	24.5 Å²	24.5	3%	0.028	15%	0.15	C	C	.	.	H	α-helix	trans	-55.3	-44.5	174.8	-175.3	74	-130.9	0	0	111.5	Q161 L163 W168 S169 L209 V210 G211 I212 V213	Q161-E165 VanDerWaalsContact O-CB 3.3Å; Q161-E165 WeakPolarHBondContact O-CB 3.48Å; Q161-E165 PolarHBondContact O-N 2.86Å; L163-E165 PolarHBondContact O-N 3.22Å; E165-W168 PolarHBondContact O-N 2.97Å; E165-S169 PolarHBondContact O-N 2.87Å; E165-S169 VanDerWaalsContact O-N 3.1Å; E165-L209 HydrophobicContact CG-CD2 3.85Å; E165-L209 VanDerWaalsContact OE1-C 3.3Å; E165-L209 WeakPolarHBondContact OE1-CA 3.39Å; E165-L209 VanDerWaalsContact OE1-CB 3.31Å; E165-L209 WeakPolarHBondContact OE1-CB 3.35Å; E165-V210 PolarHBondContact OE1-N 3.33Å; E165-G211 PolarHBondContact OE1-N 2.84Å; E165-G211 PolarHBondContact OE2-N 3.08Å; E165-I212 HydrophobicContact CB-CG2 3.96Å; E165-I212 WeakPolarHBondContact OE2-CG2 3.5Å; E165-I212 PolarHBondContact OE2-N 3.04Å; E165-V213 HydrophobicContact CB-CG2 4.21Å; E165-V213 HydrophobicContact CG-CG2 4.38Å
166	S	92	Very high	94	Very high	38 Å²	38	24.3 Å²	24.3	27%	0.266	15%	0.149	S	C	.	.	H	α-helix	trans	-71.4	-35.8	177.8	178.7	0	0	0	0	111.8	M20 A162 L163 L164 W168 S169 L170	M20-S166 WeakPolarHBondContact SD-CB 3.41Å; M20-S166 PolarHBondContact SD-OG 2.83Å; A162-S166 WeakPolarHBondContact O-CB 3.44Å; A162-S166 PolarHBondContact O-N 3.35Å; A162-S166 VanDerWaalsContact O-N 3.13Å; L163-S166 PolarHBondContact O-N 3.46Å; L164-S166 VanDerWaalsContact C-N 3.26Å; L164-S166 PolarHBondContact O-N 2.99Å; S166-W168 VanDerWaalsContact C-N 3.34Å; S166-W168 PolarHBondContact O-N 3.5Å; S166-S169 WeakPolarHBondContact O-CB 3.31Å; S166-S169 PolarHBondContact O-N 3.28Å; S166-S169 VanDerWaalsContact O-N 3.16Å; S166-S169 PolarHBondContact O-OG 3.31Å; S166-L170 WeakPolarHBondContact O-CG 3.28Å; S166-L170 PolarHBondContact O-N 3.2Å
167	A	93.3	Very high	94	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-56.3	-48.4	171.4	0	0	0	0	0	111.2	M20 L163 L164 S169 L170 G171 F172 S230	M20-A167 HydrophobicContact CE-CB 4.06Å; L163-A167 PolarHBondContact O-N 3.49Å; L164-A167 VanDerWaalsContact O-CB 3.31Å; L164-A167 WeakPolarHBondContact O-CB 3.31Å; L164-A167 PolarHBondContact O-N 3.24Å; L164-A167 VanDerWaalsContact O-N 3.12Å; A167-S169 VanDerWaalsContact C-N 3.31Å; A167-S169 PolarHBondContact O-N 3.3Å; A167-L170 CarbonylContact O-C 3.6Å; A167-L170 WeakPolarHBondContact O-CA 3.14Å; A167-L170 WeakPolarHBondContact O-CB 3.34Å; A167-L170 PolarHBondContact O-N 2.9Å; A167-G171 PolarHBondContact O-N 2.98Å; A167-F172 HydrophobicContact CB-CB 4.02Å; A167-F172 HydrophobicContact CB-CD2 4.16Å; A167-F172 HydrophobicContact CB-CG 4.06Å; A167-F172 WeakPolarHBondContact O-CB 3.44Å; A167-F172 VanDerWaalsContact O-CD2 3.26Å; A167-F172 WeakPolarHBondContact O-CD2 3.02Å; A167-F172 PolarHBondContact O-N 2.79Å; A167-F172 VanDerWaalsContact O-N 3.1Å; A167-S230 VanDerWaalsContact CB-CB 3.43Å
168	W	94	Very high	93.9	Very high	21 Å²	21	28.1 Å²	28.1	8%	0.08	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-39.4	176.4	-66.2	-31.7	0	0	0	112.5	L164 E165 S166 L170 G171 F172 A177 I180 V210 I212 D223	L164-W168 HydrophobicContact CD1-CD2 4.29Å; L164-W168 HydrophobicContact CD1-CZ2 3.98Å; L164-W168 HydrophobicContact CD2-CH2 3.82Å; L164-W168 HydrophobicContact CD2-CZ2 3.63Å; L164-W168 HydrophobicContact CG-CD2 4.1Å; L164-W168 HydrophobicContact CG-CE3 4.37Å; L164-W168 HydrophobicContact CG-CH2 3.98Å; L164-W168 HydrophobicContact CG-CZ2 3.67Å; L164-W168 HydrophobicContact CG-CZ3 4.31Å; L164-W168 PolarHBondContact O-N 3.47Å; E165-W168 PolarHBondContact O-N 2.97Å; S166-W168 VanDerWaalsContact C-N 3.34Å; S166-W168 PolarHBondContact O-N 3.5Å; W168-L170 PolarHBondContact O-N 3.17Å; W168-G171 PolarHBondContact O-N 3.33Å; W168-F172 VanDerWaalsContact CD1-O 3.29Å; W168-A177 HydrophobicContact CB-CB 3.93Å; W168-A177 HydrophobicContact CD2-CB 3.73Å; W168-A177 HydrophobicContact CE3-CB 4.33Å; W168-A177 HydrophobicContact CG-CB 3.56Å; W168-I180 HydrophobicContact CH2-CB 3.73Å; W168-I180 HydrophobicContact CH2-CG1 3.79Å; W168-I180 HydrophobicContact CH2-CG2 3.78Å; W168-I180 HydrophobicContact CZ2-CB 4.36Å; W168-I180 HydrophobicContact CZ2-CG1 4.07Å; W168-I180 HydrophobicContact CZ3-CB 4.47Å; W168-I180 HydrophobicContact CZ3-CG2 4.27Å; W168-V210 HydrophobicContact CD2-CG2 4.29Å; W168-V210 HydrophobicContact CE3-CB 3.78Å; W168-V210 HydrophobicContact CE3-CG1 4.14Å; W168-V210 HydrophobicContact CE3-CG2 3.54Å; W168-V210 HydrophobicContact CH2-CG1 4.32Å; W168-V210 HydrophobicContact CZ3-CB 3.73Å; W168-V210 HydrophobicContact CZ3-CG1 3.6Å; W168-V210 HydrophobicContact CZ3-CG2 3.91Å; W168-I212 HydrophobicContact CH2-CB 4.4Å; W168-I212 HydrophobicContact CH2-CD1 3.79Å; W168-I212 HydrophobicContact CZ3-CB 3.92Å; W168-I212 HydrophobicContact CZ3-CD1 4.14Å; W168-I212 HydrophobicContact CZ3-CG2 3.88Å; W168-D223 WeakPolarHBondContact CZ2-OD1 3.46Å
169	S	90.5	Very high	93.9	Very high	67 Å²	67	33.6 Å²	33.6	47%	0.469	20%	0.203	S	C	.	.	H	α-helix	trans	-62.9	-25.2	174.4	83.3	0	0	0	0	113.4	E165 S166 A167 G171	E165-S169 PolarHBondContact O-N 2.87Å; E165-S169 VanDerWaalsContact O-N 3.1Å; S166-S169 WeakPolarHBondContact O-CB 3.31Å; S166-S169 PolarHBondContact O-N 3.28Å; S166-S169 VanDerWaalsContact O-N 3.16Å; S166-S169 PolarHBondContact O-OG 3.31Å; A167-S169 VanDerWaalsContact C-N 3.31Å; A167-S169 PolarHBondContact O-N 3.3Å; S169-G171 VanDerWaalsContact C-N 3.34Å
170	L	91.2	Very high	93.9	Very high	93 Å²	93	33.8 Å²	33.8	49%	0.487	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	0.7	175.6	-67.1	171.8	0	0	0	113.1	S166 A167 W168 F172 M360	S166-L170 WeakPolarHBondContact O-CG 3.28Å; S166-L170 PolarHBondContact O-N 3.2Å; A167-L170 CarbonylContact O-C 3.6Å; A167-L170 WeakPolarHBondContact O-CA 3.14Å; A167-L170 WeakPolarHBondContact O-CB 3.34Å; A167-L170 PolarHBondContact O-N 2.9Å; W168-L170 PolarHBondContact O-N 3.17Å; L170-F172 HydrophobicContact CB-CD2 4.18Å; L170-F172 HydrophobicContact CB-CE2 4.35Å; L170-M360 VanDerWaalsContact O-CE 3.24Å; L170-M360 WeakPolarHBondContact O-CE 3.37Å
171	G	92.5	Very high	93.7	Very high	34 Å²	34	34.8 Å²	34.8	35%	0.351	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	12.7	175.8	0	0	0	0	0	115.2	A167 W168 S169	A167-G171 PolarHBondContact O-N 2.98Å; W168-G171 PolarHBondContact O-N 3.33Å; S169-G171 VanDerWaalsContact C-N 3.34Å
172	F	95.1	Very high	93.5	Very high	9 Å²	9	38.1 Å²	38.1	4%	0.039	24%	0.235	C	C	.	.	S	Bend	trans	-68.7	140.7	166.8	-71.1	-109	0	0	0	109.6	A167 W168 L170 L356 A359 M360	A167-F172 HydrophobicContact CB-CB 4.02Å; A167-F172 HydrophobicContact CB-CD2 4.16Å; A167-F172 HydrophobicContact CB-CG 4.06Å; A167-F172 WeakPolarHBondContact O-CB 3.44Å; A167-F172 VanDerWaalsContact O-CD2 3.26Å; A167-F172 WeakPolarHBondContact O-CD2 3.02Å; A167-F172 PolarHBondContact O-N 2.79Å; A167-F172 VanDerWaalsContact O-N 3.1Å; W168-F172 VanDerWaalsContact CD1-O 3.29Å; L170-F172 HydrophobicContact CB-CD2 4.18Å; L170-F172 HydrophobicContact CB-CE2 4.35Å; F172-L356 HydrophobicContact CE1-CD1 4.4Å; F172-L356 HydrophobicContact CZ-CD1 3.72Å; F172-A359 WeakPolarHBondContact CD1-O 3.32Å; F172-A359 HydrophobicContact CE1-CB 4.28Å; F172-M360 HydrophobicContact CD1-CB 4.22Å; F172-M360 HydrophobicContact CD1-CG 3.73Å; F172-M360 HydrophobicContact CD2-CE 4.23Å; F172-M360 HydrophobicContact CD2-CG 3.85Å; F172-M360 HydrophobicContact CE1-CB 4.45Å; F172-M360 HydrophobicContact CE1-CG 3.6Å; F172-M360 HydrophobicContact CE2-CE 4.38Å; F172-M360 HydrophobicContact CE2-CG 3.75Å; F172-M360 HydrophobicContact CE2-SD 4.34Å; F172-M360 HydrophobicContact CG-CB 4.39Å; F172-M360 HydrophobicContact CG-CG 3.85Å; F172-M360 HydrophobicContact CZ-CG 3.62Å
173	D	96.3	Very high	93.3	Very high	3 Å²	3	42 Å²	42	2%	0.016	26%	0.257	C	S	.	.			trans	32.3	66.8	171.4	-170	10.8	0	0	0	115.3	L175 G176 A177 T222 S226 M360 P362	D173-L175 PolarHBondContact O-N 3.39Å; D173-L175 VanDerWaalsContact O-N 3.17Å; D173-L175 PolarHBondContact OD1-N 3.01Å; D173-G176 PolarHBondContact O-N 3.11Å; D173-G176 PolarHBondContact OD1-N 3.27Å; D173-G176 WeakPolarHBondContact OD2-CA 3.45Å; D173-A177 WeakPolarHBondContact O-CB 3.45Å; D173-A177 PolarHBondContact O-N 3.39Å; D173-T222 WeakPolarHBondContact OD2-CB 3.29Å; D173-T222 PolarHBondContact OD2-OG1 3.42Å; D173-S226 WeakPolarHBondContact CB-OG 2.73Å; D173-M360 PolarHBondContact N-O 2.88Å; D173-P362 HydrophobicContact CB-CG 3.81Å
174	P	94.7	Very high	93	Very high	89 Å²	89	43.2 Å²	43.2	58%	0.578	26%	0.263	S	S	*	.	H	α-helix	trans	-62	-22.7	178.4	25.1	-34.4	0	0	0	112.8	S178	P174-S178 WeakPolarHBondContact O-CB 3.43Å; P174-S178 PolarHBondContact O-N 3.02Å; P174-S178 VanDerWaalsContact O-N 3.15Å
175	L	94.7	Very high	92.5	Very high	104 Å²	104	44.8 Å²	44.8	55%	0.545	27%	0.272	S	S	.	.	H	α-helix	trans	-74	-49.7	176.9	-66.2	-179.9	0	0	0	111	D173 A177 S178 Q179	D173-L175 PolarHBondContact O-N 3.39Å; D173-L175 VanDerWaalsContact O-N 3.17Å; D173-L175 PolarHBondContact OD1-N 3.01Å; L175-A177 VanDerWaalsContact C-N 3.34Å; L175-A177 PolarHBondContact O-N 3.35Å; L175-S178 WeakPolarHBondContact O-CB 3.43Å; L175-S178 PolarHBondContact O-N 2.7Å; L175-Q179 WeakPolarHBondContact O-CG 3.47Å; L175-Q179 PolarHBondContact O-N 3.04Å
176	G	95	Very high	91.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-58.3	-44.5	173.2	0	0	0	0	0	112	D173 S178 Q179 I180	D173-G176 PolarHBondContact O-N 3.11Å; D173-G176 PolarHBondContact OD1-N 3.27Å; D173-G176 WeakPolarHBondContact OD2-CA 3.45Å; G176-S178 VanDerWaalsContact C-N 3.31Å; G176-S178 PolarHBondContact O-N 3.49Å; G176-Q179 PolarHBondContact O-N 2.96Å; G176-Q179 VanDerWaalsContact O-N 3.12Å; G176-I180 WeakPolarHBondContact O-CG1 3.31Å; G176-I180 PolarHBondContact O-N 3.28Å
177	A	94.9	Very high	90.9	Very high	12 Å²	12	54.3 Å²	54.3	10%	0.099	33%	0.325	C	S	.	.	H	α-helix	trans	-54.5	-45.8	173.8	0	0	0	0	0	112.4	W168 D173 L175 S181 V210	W168-A177 HydrophobicContact CB-CB 3.93Å; W168-A177 HydrophobicContact CD2-CB 3.73Å; W168-A177 HydrophobicContact CE3-CB 4.33Å; W168-A177 HydrophobicContact CG-CB 3.56Å; D173-A177 WeakPolarHBondContact O-CB 3.45Å; D173-A177 PolarHBondContact O-N 3.39Å; L175-A177 VanDerWaalsContact C-N 3.34Å; L175-A177 PolarHBondContact O-N 3.35Å; A177-S181 WeakPolarHBondContact O-CB 3.3Å; A177-S181 PolarHBondContact O-N 3.46Å; A177-V210 HydrophobicContact CB-CG2 3.91Å
178	S	93.9	Very high	89.5	Confident	75 Å²	75	60.4 Å²	60.4	52%	0.524	35%	0.352	S	S	.	.	H	α-helix	trans	-65.9	-41.5	177.5	-176.5	0	0	0	0	112.2	P174 L175 G176 S181 S182	P174-S178 WeakPolarHBondContact O-CB 3.43Å; P174-S178 PolarHBondContact O-N 3.02Å; P174-S178 VanDerWaalsContact O-N 3.15Å; L175-S178 WeakPolarHBondContact O-CB 3.43Å; L175-S178 PolarHBondContact O-N 2.7Å; G176-S178 VanDerWaalsContact C-N 3.31Å; G176-S178 PolarHBondContact O-N 3.49Å; S178-S181 PolarHBondContact O-N 3.21Å; S178-S182 PolarHBondContact O-N 2.87Å
179	Q	94	Very high	87.4	Confident	124 Å²	124	66.5 Å²	66.5	58%	0.579	39%	0.385	S	S	*	.	H	α-helix	trans	-63.4	-47.3	178.8	-72.3	175	2.7	0	0	111.3	L175 G176 S181 S182 T183	L175-Q179 WeakPolarHBondContact O-CG 3.47Å; L175-Q179 PolarHBondContact O-N 3.04Å; G176-Q179 PolarHBondContact O-N 2.96Å; G176-Q179 VanDerWaalsContact O-N 3.12Å; Q179-S181 VanDerWaalsContact C-N 3.35Å; Q179-S181 PolarHBondContact O-N 3.49Å; Q179-S182 PolarHBondContact O-N 3.2Å; Q179-S182 PolarHBondContact O-OG 3.46Å; Q179-T183 PolarHBondContact O-N 3.03Å; Q179-T183 VanDerWaalsContact O-N 3.08Å; Q179-T183 PolarHBondContact O-OG1 2.91Å
180	I	93.3	Very high	85.6	Confident	13 Å²	13	68.4 Å²	68.4	7%	0.067	40%	0.398	C	S	.	.	H	α-helix	trans	-65	-39.8	176.8	-63.9	-67.7	0	0	0	111	W168 G176 S182 T183 I184 V210 I212 A217	W168-I180 HydrophobicContact CH2-CB 3.73Å; W168-I180 HydrophobicContact CH2-CG1 3.79Å; W168-I180 HydrophobicContact CH2-CG2 3.78Å; W168-I180 HydrophobicContact CZ2-CB 4.36Å; W168-I180 HydrophobicContact CZ2-CG1 4.07Å; W168-I180 HydrophobicContact CZ3-CB 4.47Å; W168-I180 HydrophobicContact CZ3-CG2 4.27Å; G176-I180 WeakPolarHBondContact O-CG1 3.31Å; G176-I180 PolarHBondContact O-N 3.28Å; I180-S182 VanDerWaalsContact C-N 3.29Å; I180-S182 PolarHBondContact O-N 3.4Å; I180-T183 WeakPolarHBondContact O-CB 3.07Å; I180-T183 PolarHBondContact O-N 2.91Å; I180-I184 HydrophobicContact CG2-CD1 3.57Å; I180-I184 HydrophobicContact CG2-CG1 4.15Å; I180-I184 WeakPolarHBondContact O-CG1 3.11Å; I180-I184 PolarHBondContact O-N 2.86Å; I180-V210 HydrophobicContact CB-CG1 4.21Å; I180-V210 HydrophobicContact CG2-CG1 3.88Å; I180-I212 HydrophobicContact CG2-CB 4.47Å; I180-I212 HydrophobicContact CG2-CD1 4.23Å; I180-I212 HydrophobicContact CG2-CG1 4.19Å; I180-A217 HydrophobicContact CD1-CB 4.38Å; I180-A217 HydrophobicContact CG2-CB 4.03Å
181	S	91.8	Very high	83.2	Confident	22 Å²	22	70 Å²	70	15%	0.154	42%	0.416	C	S	.	.	H	α-helix	trans	-57.8	-42.9	176	-162.4	0	0	0	0	112.2	A177 S178 Q179 T183 I184 N185	A177-S181 WeakPolarHBondContact O-CB 3.3Å; A177-S181 PolarHBondContact O-N 3.46Å; S178-S181 PolarHBondContact O-N 3.21Å; Q179-S181 VanDerWaalsContact C-N 3.35Å; Q179-S181 PolarHBondContact O-N 3.49Å; S181-T183 VanDerWaalsContact C-N 3.31Å; S181-T183 PolarHBondContact O-N 2.72Å; S181-I184 PolarHBondContact O-N 2.88Å; S181-N185 PolarHBondContact O-N 3.2Å
182	S	90.7	Very high	80.6	Confident	72 Å²	72	71.6 Å²	71.6	50%	0.503	43%	0.433	S	S	.	.	H	α-helix	trans	-67.3	-30.8	176.5	75.4	0	0	0	0	113.1	S178 Q179 I180 N185 P186	S178-S182 PolarHBondContact O-N 2.87Å; Q179-S182 PolarHBondContact O-N 3.2Å; Q179-S182 PolarHBondContact O-OG 3.46Å; I180-S182 VanDerWaalsContact C-N 3.29Å; I180-S182 PolarHBondContact O-N 3.4Å; S182-N185 CarbonylContact O-C 3.58Å; S182-P186 VanDerWaalsContact O-CA 3.24Å; S182-P186 WeakPolarHBondContact O-CA 3.08Å
183	T	89.8	Confident	77.8	Confident	96 Å²	96	75.3 Å²	75.3	59%	0.589	47%	0.465	S	S	*	.	H	α-helix	trans	-72.5	-41.9	177.3	-58.4	0	0	0	0	111.6	Q179 I180 S181	Q179-T183 PolarHBondContact O-N 3.03Å; Q179-T183 VanDerWaalsContact O-N 3.08Å; Q179-T183 PolarHBondContact O-OG1 2.91Å; I180-T183 WeakPolarHBondContact O-CB 3.07Å; I180-T183 PolarHBondContact O-N 2.91Å; S181-T183 VanDerWaalsContact C-N 3.31Å; S181-T183 PolarHBondContact O-N 2.72Å
184	I	88.1	Confident	74.8	Confident	28 Å²	28	82.2 Å²	82.2	14%	0.144	50%	0.502	C	S	.	.	H	α-helix	trans	-75.8	-39.1	-179.5	-63.6	172.9	0	0	0	110.9	I180 S181 P186 I212 A217	I180-I184 HydrophobicContact CG2-CD1 3.57Å; I180-I184 HydrophobicContact CG2-CG1 4.15Å; I180-I184 WeakPolarHBondContact O-CG1 3.11Å; I180-I184 PolarHBondContact O-N 2.86Å; S181-I184 PolarHBondContact O-N 2.88Å; I184-P186 VanDerWaalsContact C-CD 3.49Å; I184-P186 WeakPolarHBondContact O-CD 3.26Å; I184-I212 HydrophobicContact CD1-CB 4.2Å; I184-I212 HydrophobicContact CD1-CG1 4.31Å; I184-A217 HydrophobicContact CD1-CB 4.05Å; I184-A217 HydrophobicContact CG1-CB 4.04Å
185	N	83.8	Confident	72.5	Confident	33 Å²	33	84.3 Å²	84.3	18%	0.176	52%	0.516	C	S	.	.			trans	-124.5	69.1	-176.6	-59.1	-66	0	0	0	111.3	S181 S182 N187 K188	S181-N185 PolarHBondContact O-N 3.2Å; S182-N185 CarbonylContact O-C 3.58Å; N185-N187 PolarHBondContact O-N 2.94Å; N185-K188 HydrophobicContact CB-CB 3.77Å; N185-K188 HydrophobicContact CB-CD 4.44Å; N185-K188 WeakPolarHBondContact O-CB 3.38Å; N185-K188 PolarHBondContact O-N 3.02Å
186	P	77.3	Confident	69.6	Low	100 Å²	100	85.5 Å²	85.5	65%	0.649	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.7	-177.1	24.8	-34.9	0	0	0	113.3	S182 I184	S182-P186 VanDerWaalsContact O-CA 3.24Å; S182-P186 WeakPolarHBondContact O-CA 3.08Å; I184-P186 VanDerWaalsContact C-CD 3.49Å; I184-P186 WeakPolarHBondContact O-CD 3.26Å
187	N	74.2	Confident	66.7	Low	145 Å²	145	88.9 Å²	88.9	78%	0.775	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-5.5	178.2	-65.3	-21.9	0	0	0	113.8	N185 I189	N185-N187 PolarHBondContact O-N 2.94Å; N187-I189 PolarHBondContact O-N 3.05Å
188	K	63.3	Low	63.8	Low	128 Å²	128	93.5 Å²	93.5	56%	0.557	59%	0.594	S	S	*	*			trans	-75.5	85.6	172.9	-168.5	179	-177.4	-174.5	0	107	N185 S190	N185-K188 HydrophobicContact CB-CB 3.77Å; N185-K188 HydrophobicContact CB-CD 4.44Å; N185-K188 WeakPolarHBondContact O-CB 3.38Å; N185-K188 PolarHBondContact O-N 3.02Å; K188-S190 PolarHBondContact O-N 2.77Å
189	I	49.4	Very low	61.1	Low	149 Å²	149	98 Å²	98	76%	0.764	61%	0.612	S	S	*	*			trans	-54	115.7	167.5	-60	171.9	0	0	0	105.7	N187 S191	N187-I189 PolarHBondContact O-N 3.05Å; I189-S191 VanDerWaalsContact C-N 3.33Å; I189-S191 PolarHBondContact O-N 3.17Å
190	S	53	Low	58.2	Low	107 Å²	107	99 Å²	99	75%	0.748	62%	0.622	S	S	*	*			trans	-54.4	103	169.1	-62.9	0	0	0	0	107.2	K188 G192	K188-S190 PolarHBondContact O-N 2.77Å; S190-G192 PolarHBondContact O-N 3.3Å
191	S	41.6	Very low	55.4	Low	125 Å²	125	107.6 Å²	107.6	87%	0.874	66%	0.664	S	S	*	*			trans	-66.7	83	173.5	54	0	0	0	0	107.7	I189	I189-S191 VanDerWaalsContact C-N 3.33Å; I189-S191 PolarHBondContact O-N 3.17Å
192	G	37	Very low	53.1	Low	68 Å²	68	113.3 Å²	113.3	70%	0.701	69%	0.691	S	S	*	*			trans	-146.6	46.1	-172.2	0	0	0	0	0	111	S190	S190-G192 PolarHBondContact O-N 3.3Å
193	A	36.4	Very low	50.6	Low	87 Å²	87	115.1 Å²	115.1	72%	0.719	70%	0.704	S	S	*	*	S	Bend	trans	-174.9	85	157.8	0	0	0	0	0	109.9
194	N	33.1	Very low	48.5	Very low	148 Å²	148	116 Å²	116	79%	0.791	71%	0.71	S	S	*	*			trans	162.8	114.4	137.7	-82.3	-19.5	0	0	0	111.2	T196	N194-T196 PolarHBondContact O-N 3.09Å
195	P	46.9	Very low	46.8	Very low	134 Å²	134	118.2 Å²	118.2	87%	0.87	72%	0.721	S	S	*	*			trans	-88.3	79.9	171.8	33.7	-29.3	0	0	0	110
196	T	34.3	Very low	45.5	Very low	129 Å²	129	122.6 Å²	122.6	79%	0.791	76%	0.755	S	S	*	*			trans	-153.3	108.8	164.5	53.9	0	0	0	0	111.2	N194	N194-T196 PolarHBondContact O-N 3.09Å
197	G	34.8	Very low	44.9	Very low	72 Å²	72	123.3 Å²	123.3	74%	0.742	75%	0.745	S	S	*	*	S	Bend	trans	113.6	110.3	153.4	0	0	0	0	0	117
198	S	34.1	Very low	44.8	Very low	109 Å²	109	123.2 Å²	123.2	76%	0.762	74%	0.744	S	S	*	*			trans	58.5	92.8	151.7	58	0	0	0	0	119.6	D200	S198-D200 PolarHBondContact O-N 3.1Å
199	D	35.7	Very low	45.8	Very low	168 Å²	168	118.6 Å²	118.6	90%	0.898	73%	0.725	S	S	*	*				22.6	33.1	123.8	-67	-11.2	0	0	0	121.8	M201	D199-M201 PolarHBondContact O-N 2.97Å
200	D	34.5	Very low	47.6	Very low	147 Å²	147	112.1 Å²	112.1	79%	0.786	69%	0.693	S	S	*	*			trans	-77.5	105.2	156.5	-87.6	-15.7	0	0	0	108.5	S198 I202	S198-D200 PolarHBondContact O-N 3.1Å; D200-I202 PolarHBondContact O-N 3.02Å
201	M	34.3	Very low	49.2	Very low	193 Å²	193	107.6 Å²	107.6	95%	0.951	66%	0.662	S	S	*	*			trans	-60	73	171.6	-73.9	-160.8	116.1	0	0	111.2	D199 S203	D199-M201 PolarHBondContact O-N 2.97Å; M201-S203 PolarHBondContact O-N 2.7Å
202	I	43.1	Very low	51.6	Low	142 Å²	142	101.6 Å²	101.6	73%	0.728	62%	0.621	S	S	*	*			trans	-73.4	106.3	158.5	-60.5	178.4	0	0	0	105	D200 T204	D200-I202 PolarHBondContact O-N 3.02Å; I202-T204 PolarHBondContact O-N 3.47Å
203	S	38.7	Very low	54.2	Low	110 Å²	110	99 Å²	99	77%	0.769	59%	0.591	S	S	*	*			trans	-52.2	89.8	170.5	175.3	0	0	0	0	109.4	M201 D205	M201-S203 PolarHBondContact O-N 2.7Å; S203-D205 PolarHBondContact O-N 3.08Å
204	T	44.9	Very low	56.8	Low	115 Å²	115	95.6 Å²	95.6	71%	0.706	56%	0.561	S	S	*	*			trans	-65.5	112	158.1	51.8	0	0	0	0	104.8	I202 S206	I202-T204 PolarHBondContact O-N 3.47Å; T204-S206 PolarHBondContact O-N 3.33Å
205	D	53.2	Low	59.7	Low	73 Å²	73	89.2 Å²	89.2	39%	0.39	53%	0.528	S	S	.	.			trans	-48.2	113.3	171.9	-170.6	-17.2	0	0	0	107.6	S203 R207 N208	S203-D205 PolarHBondContact O-N 3.08Å; D205-R207 PolarHBondContact O-N 2.9Å; D205-R207 IonicContact OD1-CZ 2.78Å; D205-R207 PolarHBondContact OD1-N 2.95Å; D205-R207 IonicContact OD1-NE 3.13Å; D205-R207 PolarHBondContact OD1-NE 3.28Å; D205-R207 IonicContact OD1-NH2 3.23Å; D205-R207 PolarHBondContact OD1-NH2 3.47Å; D205-R207 IonicContact OD2-CZ 3.41Å; D205-R207 IonicContact OD2-NE 2.82Å; D205-R207 IonicContact OD2-NH2 3.58Å; D205-R207 PolarHBondContact OD2-NH2 3.05Å; D205-N208 PolarHBondContact O-N 2.72Å
206	S	55.9	Low	61.9	Low	125 Å²	125	85.6 Å²	85.6	87%	0.874	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-13.7	-172.8	-41.8	0	0	0	0	112.8	T204	T204-S206 PolarHBondContact O-N 3.33Å
207	R	64.3	Low	64.7	Low	116 Å²	116	79.8 Å²	79.8	44%	0.438	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-5.9	-178	-63.2	172.7	-67.5	172.3	7.9	114.1	D205 L209	D205-R207 PolarHBondContact O-N 2.9Å; D205-R207 IonicContact OD1-CZ 2.78Å; D205-R207 PolarHBondContact OD1-N 2.95Å; D205-R207 IonicContact OD1-NE 3.13Å; D205-R207 PolarHBondContact OD1-NE 3.28Å; D205-R207 IonicContact OD1-NH2 3.23Å; D205-R207 PolarHBondContact OD1-NH2 3.47Å; D205-R207 IonicContact OD2-CZ 3.41Å; D205-R207 IonicContact OD2-NE 2.82Å; D205-R207 IonicContact OD2-NH2 3.58Å; D205-R207 PolarHBondContact OD2-NH2 3.05Å; R207-L209 VanDerWaalsContact C-N 3.26Å; R207-L209 HydrophobicContact CB-CD1 4.2Å; R207-L209 HydrophobicContact CB-CD2 4.22Å; R207-L209 HydrophobicContact CB-CG 3.81Å; R207-L209 PolarHBondContact O-N 3.07Å
208	N	73.5	Confident	67.4	Low	143 Å²	143	79 Å²	79	77%	0.765	45%	0.451	S	S	*	.			trans	53.2	39.5	178.6	-160.1	32.1	0	0	0	113.9	D205	D205-N208 PolarHBondContact O-N 2.72Å
209	L	83.4	Confident	70.3	Confident	31 Å²	31	74.1 Å²	74.1	16%	0.162	42%	0.416	C	S	.	.			trans	-73.2	135.9	-178.4	-59.3	174.8	0	0	0	111.1	Y29 E165 R207	Y29-L209 HydrophobicContact CD2-CD1 3.49Å; Y29-L209 VanDerWaalsContact CD2-CD1 3.49Å; Y29-L209 HydrophobicContact CD2-CD2 4.5Å; Y29-L209 HydrophobicContact CE2-CD1 3.68Å; Y29-L209 HydrophobicContact CE2-CD2 3.94Å; Y29-L209 HydrophobicContact CG-CD1 4.08Å; E165-L209 HydrophobicContact CG-CD2 3.85Å; E165-L209 VanDerWaalsContact OE1-C 3.3Å; E165-L209 WeakPolarHBondContact OE1-CA 3.39Å; E165-L209 VanDerWaalsContact OE1-CB 3.31Å; E165-L209 WeakPolarHBondContact OE1-CB 3.35Å; R207-L209 VanDerWaalsContact C-N 3.26Å; R207-L209 HydrophobicContact CB-CD1 4.2Å; R207-L209 HydrophobicContact CB-CD2 4.22Å; R207-L209 HydrophobicContact CB-CG 3.81Å; R207-L209 PolarHBondContact O-N 3.07Å
210	V	86.2	Confident	73.1	Confident	13 Å²	13	67.8 Å²	67.8	8%	0.079	39%	0.391	C	S	.	.			trans	-68	-40.1	172	173.7	0	0	0	0	110.7	E165 W168 A177 I180	E165-V210 PolarHBondContact OE1-N 3.33Å; W168-V210 HydrophobicContact CD2-CG2 4.29Å; W168-V210 HydrophobicContact CE3-CB 3.78Å; W168-V210 HydrophobicContact CE3-CG1 4.14Å; W168-V210 HydrophobicContact CE3-CG2 3.54Å; W168-V210 HydrophobicContact CH2-CG1 4.32Å; W168-V210 HydrophobicContact CZ3-CB 3.73Å; W168-V210 HydrophobicContact CZ3-CG1 3.6Å; W168-V210 HydrophobicContact CZ3-CG2 3.91Å; A177-V210 HydrophobicContact CB-CG2 3.91Å; I180-V210 HydrophobicContact CB-CG1 4.21Å; I180-V210 HydrophobicContact CG2-CG1 3.88Å
211	G	88	Confident	76	Confident	11 Å²	11	61.8 Å²	61.8	11%	0.113	36%	0.361	C	S	.	.			trans	92.7	32	179.6	0	0	0	0	0	113.9	E165	E165-G211 PolarHBondContact OE1-N 2.84Å; E165-G211 PolarHBondContact OE2-N 3.08Å
212	I	92.2	Very high	78.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	33%	0.327	C	S	.	.			trans	-74.5	-27	179.7	-160	-177.9	0	0	0	113.1	Y127 Q161 L164 E165 W168 I180 I184 D214 S215 A217 L219	Y127-I212 WeakPolarHBondContact OH-CD1 3.28Å; Q161-I212 HydrophobicContact CB-CG2 4.16Å; Q161-I212 VanDerWaalsContact CD-O 3.31Å; Q161-I212 HydrophobicContact CG-CG1 4.46Å; Q161-I212 PolarHBondContact NE2-O 3.13Å; Q161-I212 WeakPolarHBondContact O-CG2 3.5Å; Q161-I212 PolarHBondContact OE1-O 3.46Å; L164-I212 HydrophobicContact CD2-CD1 3.92Å; E165-I212 HydrophobicContact CB-CG2 3.96Å; E165-I212 WeakPolarHBondContact OE2-CG2 3.5Å; E165-I212 PolarHBondContact OE2-N 3.04Å; W168-I212 HydrophobicContact CH2-CB 4.4Å; W168-I212 HydrophobicContact CH2-CD1 3.79Å; W168-I212 HydrophobicContact CZ3-CB 3.92Å; W168-I212 HydrophobicContact CZ3-CD1 4.14Å; W168-I212 HydrophobicContact CZ3-CG2 3.88Å; I180-I212 HydrophobicContact CG2-CB 4.47Å; I180-I212 HydrophobicContact CG2-CD1 4.23Å; I180-I212 HydrophobicContact CG2-CG1 4.19Å; I184-I212 HydrophobicContact CD1-CB 4.2Å; I184-I212 HydrophobicContact CD1-CG1 4.31Å; I212-D214 PolarHBondContact O-N 2.94Å; I212-S215 WeakPolarHBondContact O-CB 3.42Å; I212-S215 PolarHBondContact O-N 2.9Å; I212-S215 PolarHBondContact O-OG 2.88Å; I212-A217 HydrophobicContact CG1-CB 4.18Å; I212-L219 HydrophobicContact CD1-CD2 3.51Å
213	V	91.5	Very high	81.5	Confident	12 Å²	12	47.8 Å²	47.8	7%	0.073	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	125.8	-179.9	179	0	0	0	0	110.6	L28 Q161 A162 E165 S215	L28-V213 HydrophobicContact CD2-CG1 3.51Å; Q161-V213 HydrophobicContact CB-CG2 4.32Å; A162-V213 HydrophobicContact CB-CG2 4.15Å; E165-V213 HydrophobicContact CB-CG2 4.21Å; E165-V213 HydrophobicContact CG-CG2 4.38Å; V213-S215 PolarHBondContact O-N 3.18Å
214	D	91.4	Very high	84.3	Confident	17 Å²	17	43.1 Å²	43.1	9%	0.091	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	63	13.8	-174.7	-162.5	46.1	0	0	0	114.7	L31 S39 A40 Q41 W158 I212	L31-D214 HydrophobicContact CD1-CB 3.84Å; S39-D214 WeakPolarHBondContact CA-O 3.44Å; S39-D214 WeakPolarHBondContact CB-OD2 3.39Å; S39-D214 PolarHBondContact OG-OD2 3.43Å; A40-D214 PolarHBondContact N-O 2.78Å; A40-D214 PolarHBondContact N-OD1 3.24Å; Q41-D214 VanDerWaalsContact CB-OD1 3.3Å; Q41-D214 WeakPolarHBondContact CB-OD1 3.49Å; Q41-D214 PolarHBondContact N-OD1 2.79Å; W158-D214 PolarHBondContact NE1-OD1 2.65Å; I212-D214 PolarHBondContact O-N 2.94Å
215	S	92.3	Very high	86.8	Confident	14 Å²	14	37.6 Å²	37.6	10%	0.098	23%	0.226	C	C	.	.			trans	-81.6	171.7	168.4	81.5	0	0	0	0	111.7	Q161 I212 V213 A217	Q161-S215 PolarHBondContact NE2-O 2.8Å; I212-S215 WeakPolarHBondContact O-CB 3.42Å; I212-S215 PolarHBondContact O-N 2.9Å; I212-S215 PolarHBondContact O-OG 2.88Å; V213-S215 PolarHBondContact O-N 3.18Å; S215-A217 PolarHBondContact OG-N 3.21Å
216	T	93.2	Very high	88.8	Confident	57 Å²	57	34.1 Å²	34.1	35%	0.35	21%	0.207	S	C	.	.			trans	-107.3	27.7	170.2	49.1	0	0	0	0	111.8	A40 I43 F123 C218	A40-T216 HydrophobicContact CB-CG2 4.22Å; I43-T216 HydrophobicContact CD1-CG2 3.6Å; F123-T216 WeakPolarHBondContact CB-O 3.36Å; F123-T216 HydrophobicContact CD1-CG2 3.82Å; F123-T216 HydrophobicContact CE1-CG2 3.67Å; F123-T216 HydrophobicContact CE2-CG2 4.48Å; F123-T216 HydrophobicContact CG-CG2 4.27Å; F123-T216 HydrophobicContact CZ-CG2 4.05Å; T216-C218 PolarHBondContact O-N 2.94Å
217	A	93.1	Very high	90.7	Very high	7 Å²	7	28.2 Å²	28.2	6%	0.058	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-70.7	128.3	176	0	0	0	0	0	110.8	Y127 I180 I184 I212 S215	Y127-A217 WeakPolarHBondContact CE2-O 3.41Å; Y127-A217 PolarHBondContact OH-O 3.47Å; I180-A217 HydrophobicContact CD1-CB 4.38Å; I180-A217 HydrophobicContact CG2-CB 4.03Å; I184-A217 HydrophobicContact CD1-CB 4.05Å; I184-A217 HydrophobicContact CG1-CB 4.04Å; I212-A217 HydrophobicContact CG1-CB 4.18Å; S215-A217 PolarHBondContact OG-N 3.21Å
218	C	92.8	Very high	92.3	Very high	56 Å²	56	22.7 Å²	22.7	38%	0.378	15%	0.145	S	C	.	.	P	Polyproline II helix	trans	-78.3	137.5	171.2	-171.3	0	0	0	0	109.7	T216	T216-C218 PolarHBondContact O-N 2.94Å
219	L	94.9	Very high	93.3	Very high	6 Å²	6	16 Å²	16	3%	0.031	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-83.8	143.5	177.1	-57.1	-172.9	0	0	0	111.5	C126 Y127 L164 I212 D223 M224	C126-L219 HydrophobicContact CB-CB 3.85Å; C126-L219 PolarHBondContact SG-O 3.25Å; Y127-L219 HydrophobicContact CD1-CD1 3.85Å; Y127-L219 HydrophobicContact CD1-CG 4.42Å; Y127-L219 HydrophobicContact CE1-CD1 3.49Å; Y127-L219 VanDerWaalsContact CE1-CD1 3.49Å; Y127-L219 HydrophobicContact CE1-CD2 4.13Å; Y127-L219 HydrophobicContact CE1-CG 3.78Å; Y127-L219 HydrophobicContact CE2-CD1 4.37Å; Y127-L219 HydrophobicContact CE2-CG 3.91Å; Y127-L219 HydrophobicContact CG-CD1 4.45Å; Y127-L219 WeakPolarHBondContact OH-CD2 3.36Å; L164-L219 HydrophobicContact CD2-CD1 4.05Å; L164-L219 HydrophobicContact CD2-CD2 3.46Å; L164-L219 VanDerWaalsContact CD2-CD2 3.46Å; L164-L219 HydrophobicContact CD2-CG 4.4Å; I212-L219 HydrophobicContact CD1-CD2 3.51Å; L219-D223 HydrophobicContact CB-CB 3.96Å; L219-D223 HydrophobicContact CD2-CB 4.09Å; L219-D223 HydrophobicContact CG-CB 4.43Å; L219-M224 HydrophobicContact CB-SD 4.48Å; L219-M224 HydrophobicContact CD1-SD 3.81Å
220	G	94	Very high	93.8	Very high	35 Å²	35	14.6 Å²	14.6	36%	0.361	10%	0.102	S	C	.	.			trans	-88.5	-178.9	164.9	0	0	0	0	0	113.1	D223 M224	G220-D223 PolarHBondContact N-OD2 2.81Å; G220-M224 WeakPolarHBondContact O-CG 3.4Å; G220-M224 PolarHBondContact O-N 3.16Å
221	A	94.9	Very high	94.2	Very high	21 Å²	21	14.1 Å²	14.1	17%	0.174	10%	0.099	C	C	.	.	H	α-helix	trans	-66.6	-37.6	179.4	0	0	0	0	0	112.9	M224 V225 I237	A221-M224 WeakPolarHBondContact O-CB 3.32Å; A221-M224 PolarHBondContact O-N 2.69Å; A221-V225 PolarHBondContact O-N 3.18Å; A221-I237 HydrophobicContact CB-CD1 3.92Å; A221-I237 HydrophobicContact CB-CG1 4.22Å; A221-I237 HydrophobicContact CB-CG2 4.25Å
222	T	96.3	Very high	94.5	Very high	36 Å²	36	13.7 Å²	13.7	22%	0.221	10%	0.095	C	C	.	.	H	α-helix	trans	-69	-36.6	179.2	64.5	0	0	0	0	112	D173 M224 V225 S226 I237 P362	D173-T222 WeakPolarHBondContact OD2-CB 3.29Å; D173-T222 PolarHBondContact OD2-OG1 3.42Å; T222-M224 VanDerWaalsContact C-N 3.29Å; T222-M224 PolarHBondContact O-N 2.87Å; T222-V225 PolarHBondContact O-N 3.43Å; T222-S226 PolarHBondContact O-N 3.41Å; T222-S226 PolarHBondContact O-OG 3.05Å; T222-I237 HydrophobicContact CG2-CD1 3.88Å; T222-P362 HydrophobicContact CG2-CB 3.78Å; T222-P362 HydrophobicContact CG2-CG 4.45Å
223	D	96.5	Very high	94.6	Very high	5 Å²	5	13.7 Å²	13.7	3%	0.027	10%	0.095	C	C	.	.	H	α-helix	trans	-60.7	-40.4	171.8	-59.2	-41	0	0	0	111.2	L164 W168 L219 G220 S226 L227	L164-D223 WeakPolarHBondContact CD1-O 3.36Å; L164-D223 HydrophobicContact CD2-CB 3.99Å; W168-D223 WeakPolarHBondContact CZ2-OD1 3.46Å; L219-D223 HydrophobicContact CB-CB 3.96Å; L219-D223 HydrophobicContact CD2-CB 4.09Å; L219-D223 HydrophobicContact CG-CB 4.43Å; G220-D223 PolarHBondContact N-OD2 2.81Å; D223-S226 WeakPolarHBondContact O-CB 3.49Å; D223-S226 PolarHBondContact O-N 2.94Å; D223-L227 WeakPolarHBondContact O-CB 3.35Å; D223-L227 PolarHBondContact O-N 3.27Å
224	M	97.4	Very high	94.8	Very high	12 Å²	12	16.3 Å²	16.3	6%	0.059	10%	0.103	C	C	.	.	H	α-helix	trans	-67.7	-41.6	177.6	-68.3	-65.7	-70.7	0	0	112	C126 A130 L219 G220 A221 T222 S226 L227 F228 L344	C126-M224 HydrophobicContact CB-SD 4.11Å; C126-M224 WeakPolarHBondContact O-CE 3.2Å; A130-M224 HydrophobicContact CB-CE 3.55Å; A130-M224 HydrophobicContact CB-SD 4.43Å; L219-M224 HydrophobicContact CB-SD 4.48Å; L219-M224 HydrophobicContact CD1-SD 3.81Å; G220-M224 WeakPolarHBondContact O-CG 3.4Å; G220-M224 PolarHBondContact O-N 3.16Å; A221-M224 WeakPolarHBondContact O-CB 3.32Å; A221-M224 PolarHBondContact O-N 2.69Å; T222-M224 VanDerWaalsContact C-N 3.29Å; T222-M224 PolarHBondContact O-N 2.87Å; M224-S226 VanDerWaalsContact C-N 3.29Å; M224-S226 PolarHBondContact O-N 3.31Å; M224-L227 PolarHBondContact O-N 2.84Å; M224-L227 HydrophobicContact SD-CD2 4.27Å; M224-F228 HydrophobicContact CE-CD2 4.3Å; M224-F228 HydrophobicContact CE-CE2 3.48Å; M224-F228 VanDerWaalsContact CE-CE2 3.48Å; M224-F228 HydrophobicContact CE-CZ 4.2Å; M224-F228 WeakPolarHBondContact O-CB 3.42Å; M224-F228 WeakPolarHBondContact O-CD2 3.41Å; M224-F228 PolarHBondContact O-N 3Å; M224-L344 HydrophobicContact CB-CD1 4.36Å; M224-L344 HydrophobicContact CB-CD2 4.12Å; M224-L344 HydrophobicContact CE-CD2 4.44Å
225	V	97.2	Very high	95.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-57.5	-45.7	171.7	169.6	0	0	0	0	110.6	A221 T222 F228 G229 I237 L344 P362 V365	A221-V225 PolarHBondContact O-N 3.18Å; T222-V225 PolarHBondContact O-N 3.43Å; V225-F228 PolarHBondContact O-N 2.91Å; V225-G229 WeakPolarHBondContact O-CA 3.37Å; V225-G229 PolarHBondContact O-N 3.47Å; V225-I237 HydrophobicContact CG2-CD1 3.72Å; V225-I237 HydrophobicContact CG2-CG1 3.48Å; V225-I237 VanDerWaalsContact CG2-CG1 3.48Å; V225-L344 HydrophobicContact CG2-CD1 3.63Å; V225-P362 HydrophobicContact CB-CB 4.31Å; V225-P362 HydrophobicContact CB-CG 4.33Å; V225-P362 HydrophobicContact CG1-CB 4.21Å; V225-P362 HydrophobicContact CG1-CG 4.16Å; V225-V365 HydrophobicContact CG1-CG2 3.76Å; V225-V365 HydrophobicContact CG2-CG2 4.24Å
226	S	95.9	Very high	95.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.1	-45.7	179.4	-59.2	0	0	0	0	112	D173 T222 D223 M224 S230	D173-S226 WeakPolarHBondContact CB-OG 2.73Å; T222-S226 PolarHBondContact O-N 3.41Å; T222-S226 PolarHBondContact O-OG 3.05Å; D223-S226 WeakPolarHBondContact O-CB 3.49Å; D223-S226 PolarHBondContact O-N 2.94Å; M224-S226 VanDerWaalsContact C-N 3.29Å; M224-S226 PolarHBondContact O-N 3.31Å; S226-S230 WeakPolarHBondContact O-CB 3.24Å; S226-S230 PolarHBondContact O-N 3.12Å; S226-S230 PolarHBondContact O-OG 3.28Å
227	L	96.5	Very high	95.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.6	-52.6	175.9	172.8	61	0	0	0	111	A130 L160 L163 L164 D223 M224 S230	A130-L227 HydrophobicContact CB-CD2 4.4Å; L160-L227 HydrophobicContact CB-CD2 4.36Å; L160-L227 HydrophobicContact CD2-CD1 4.46Å; L160-L227 HydrophobicContact CD2-CD2 4.28Å; L163-L227 HydrophobicContact CB-CD1 3.69Å; L163-L227 HydrophobicContact CD1-CD1 4.43Å; L164-L227 HydrophobicContact CB-CD1 4.35Å; L164-L227 HydrophobicContact CD1-CB 4.28Å; D223-L227 WeakPolarHBondContact O-CB 3.35Å; D223-L227 PolarHBondContact O-N 3.27Å; M224-L227 PolarHBondContact O-N 2.84Å; M224-L227 HydrophobicContact SD-CD2 4.27Å; L227-S230 PolarHBondContact O-N 3.17Å; L227-S230 PolarHBondContact O-OG 2.98Å
228	F	96.8	Very high	95.5	Very high	1 Å²	1	12.9 Å²	12.9	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-68.9	-40.9	-178.3	-78.6	-61.5	0	0	0	112.8	A130 I133 L134 M224 V225 S230 I231 G232 I233 L344	A130-F228 HydrophobicContact CB-CZ 4.13Å; I133-F228 HydrophobicContact CB-CE1 4.47Å; I133-F228 HydrophobicContact CB-CZ 3.87Å; I133-F228 HydrophobicContact CD1-CE2 4.02Å; I133-F228 HydrophobicContact CD1-CZ 3.96Å; I133-F228 HydrophobicContact CG2-CE1 3.92Å; I133-F228 HydrophobicContact CG2-CE2 4.47Å; I133-F228 HydrophobicContact CG2-CZ 3.66Å; L134-F228 HydrophobicContact CD2-CE1 3.95Å; L134-F228 HydrophobicContact CG-CE1 4.05Å; M224-F228 HydrophobicContact CE-CD2 4.3Å; M224-F228 HydrophobicContact CE-CE2 3.48Å; M224-F228 VanDerWaalsContact CE-CE2 3.48Å; M224-F228 HydrophobicContact CE-CZ 4.2Å; M224-F228 WeakPolarHBondContact O-CB 3.42Å; M224-F228 WeakPolarHBondContact O-CD2 3.41Å; M224-F228 PolarHBondContact O-N 3Å; V225-F228 PolarHBondContact O-N 2.91Å; F228-S230 VanDerWaalsContact C-N 3.3Å; F228-S230 PolarHBondContact O-N 2.86Å; F228-I231 HydrophobicContact CD1-CD1 4.19Å; F228-I231 WeakPolarHBondContact O-CG1 3.4Å; F228-I231 PolarHBondContact O-N 3.26Å; F228-G232 PolarHBondContact O-N 2.9Å; F228-I233 CarbonylContact C-O 3.54Å; F228-I233 HydrophobicContact CB-CB 4.04Å; F228-I233 HydrophobicContact CB-CG2 4.21Å; F228-I233 HydrophobicContact CD1-CB 4.44Å; F228-I233 HydrophobicContact CD1-CD1 3.48Å; F228-I233 VanDerWaalsContact CD1-CD1 3.48Å; F228-I233 HydrophobicContact CE1-CD1 4.1Å; F228-I233 HydrophobicContact CG-CD1 4.44Å; F228-I233 WeakPolarHBondContact O-CB 3.41Å; F228-I233 PolarHBondContact O-N 3.49Å; F228-L344 HydrophobicContact CD2-CD2 3.47Å; F228-L344 VanDerWaalsContact CD2-CD2 3.47Å; F228-L344 HydrophobicContact CE2-CD2 3.37Å
229	G	95.8	Very high	95.6	Very high	2 Å²	2	11.8 Å²	11.8	2%	0.021	7%	0.072	C	C	.	.	H	α-helix	trans	-58.5	-43.5	175.6	0	0	0	0	0	112.3	V225 I231 G232 I233 I350	V225-G229 WeakPolarHBondContact O-CA 3.37Å; V225-G229 PolarHBondContact O-N 3.47Å; G229-I231 PolarHBondContact O-N 3.36Å; G229-G232 PolarHBondContact O-N 3.17Å; G229-I233 WeakPolarHBondContact CA-O 3.42Å; G229-I233 PolarHBondContact N-O 3.48Å; G229-I350 VanDerWaalsContact O-CD1 3.27Å; G229-I350 WeakPolarHBondContact O-CD1 3.5Å
230	S	93.7	Very high	95.5	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.014	7%	0.07	C	C	.	.	H	α-helix	trans	-66.7	-17.5	-179.2	77.4	0	0	0	0	114.9	M20 A167 S226 L227 F228	M20-S230 WeakPolarHBondContact CE-OG 3.36Å; M20-S230 PolarHBondContact N-O 2.83Å; A167-S230 VanDerWaalsContact CB-CB 3.43Å; S226-S230 WeakPolarHBondContact O-CB 3.24Å; S226-S230 PolarHBondContact O-N 3.12Å; S226-S230 PolarHBondContact O-OG 3.28Å; L227-S230 PolarHBondContact O-N 3.17Å; L227-S230 PolarHBondContact O-OG 2.98Å; F228-S230 VanDerWaalsContact C-N 3.3Å; F228-S230 PolarHBondContact O-N 2.86Å
231	I	93.2	Very high	95.4	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.01	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	13.3	172.9	66.3	173.8	0	0	0	112.4	S19 M20 L22 L134 L147 L163 F228 G229 I233	S19-I231 PolarHBondContact OG-O 3.24Å; M20-I231 HydrophobicContact CB-CG2 4.45Å; M20-I231 WeakPolarHBondContact O-CG2 3.43Å; L22-I231 HydrophobicContact CD2-CD1 4Å; L22-I231 HydrophobicContact CD2-CG2 4.39Å; L22-I231 HydrophobicContact CG-CD1 4.47Å; L134-I231 HydrophobicContact CD2-CD1 3.99Å; L147-I231 HydrophobicContact CD2-CG1 4.46Å; L147-I231 WeakPolarHBondContact CD2-O 3.26Å; L163-I231 HydrophobicContact CD1-CG2 4.11Å; L163-I231 HydrophobicContact CD2-CG2 4.08Å; F228-I231 HydrophobicContact CD1-CD1 4.19Å; F228-I231 WeakPolarHBondContact O-CG1 3.4Å; F228-I231 PolarHBondContact O-N 3.26Å; G229-I231 PolarHBondContact O-N 3.36Å; I231-I233 HydrophobicContact CD1-CD1 3.85Å; I231-I233 HydrophobicContact CG1-CD1 4.01Å; I231-I233 HydrophobicContact CG1-CG1 4.47Å
232	G	94	Very high	95.3	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.021	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	17.4	173.4	0	0	0	0	0	115.4	F228 G229 L349 I350	F228-G232 PolarHBondContact O-N 2.9Å; G229-G232 PolarHBondContact O-N 3.17Å; G232-L349 WeakPolarHBondContact O-CA 3.41Å; G232-I350 PolarHBondContact O-N 3.44Å
233	I	95.8	Very high	95.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.3	175.8	-66.1	159.9	0	0	0	110.1	L134 L137 F143 L147 F228 G229 I231 I346	L134-I233 HydrophobicContact CD2-CD1 4.33Å; L137-I233 HydrophobicContact CD1-CD1 3.45Å; L137-I233 VanDerWaalsContact CD1-CD1 3.45Å; L137-I233 HydrophobicContact CD1-CG1 4.19Å; F143-I233 HydrophobicContact CD1-CG1 4.35Å; F143-I233 HydrophobicContact CE1-CG1 4.33Å; L147-I233 HydrophobicContact CD1-CD1 3.6Å; L147-I233 HydrophobicContact CD1-CG1 3.91Å; L147-I233 HydrophobicContact CD2-CD1 4.07Å; L147-I233 HydrophobicContact CD2-CG1 3.86Å; L147-I233 HydrophobicContact CG-CD1 4.5Å; L147-I233 HydrophobicContact CG-CG1 4.5Å; F228-I233 CarbonylContact C-O 3.54Å; F228-I233 HydrophobicContact CB-CB 4.04Å; F228-I233 HydrophobicContact CB-CG2 4.21Å; F228-I233 HydrophobicContact CD1-CB 4.44Å; F228-I233 HydrophobicContact CD1-CD1 3.48Å; F228-I233 VanDerWaalsContact CD1-CD1 3.48Å; F228-I233 HydrophobicContact CE1-CD1 4.1Å; F228-I233 HydrophobicContact CG-CD1 4.44Å; F228-I233 WeakPolarHBondContact O-CB 3.41Å; F228-I233 PolarHBondContact O-N 3.49Å; G229-I233 WeakPolarHBondContact CA-O 3.42Å; G229-I233 PolarHBondContact N-O 3.48Å; I231-I233 HydrophobicContact CD1-CD1 3.85Å; I231-I233 HydrophobicContact CG1-CD1 4.01Å; I231-I233 HydrophobicContact CG1-CG1 4.47Å; I233-I346 HydrophobicContact CG2-CD1 4.04Å; I233-I346 HydrophobicContact CG2-CG2 3.79Å
234	R	95.9	Very high	94.9	Very high	67 Å²	67	20.4 Å²	20.4	25%	0.253	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	126.3	170.9	-173.3	178.8	61	-122.1	-4.9	109.1	N347 G348 L349 I350 D355	R234-N347 HydrophobicContact CB-CB 4.45Å; R234-N347 HydrophobicContact CG-CB 4.1Å; R234-N347 PolarHBondContact NH2-O 3.35Å; R234-N347 PolarHBondContact O-N 3.22Å; R234-G348 PolarHBondContact N-O 3.05Å; R234-G348 PolarHBondContact O-N 3.34Å; R234-L349 PolarHBondContact NH1-O 2.9Å; R234-I350 HydrophobicContact CB-CG1 4.21Å; R234-D355 WeakPolarHBondContact CD-OD1 3.36Å; R234-D355 IonicContact NH1-OD1 3.02Å; R234-D355 IonicContact NH1-OD2 3.71Å
235	S	96.6	Very high	94.6	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.021	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	164.3	179.8	59.8	0	0	0	0	111.8	Q345 V365	S235-Q345 CarbonylContact C-O 3.6Å; S235-Q345 WeakPolarHBondContact CA-O 3.37Å; S235-Q345 WeakPolarHBondContact CB-O 3.47Å; S235-V365 WeakPolarHBondContact O-CB 3.43Å
236	S	96.2	Very high	94.3	Very high	17 Å²	17	26.3 Å²	26.3	12%	0.119	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	154.1	174.6	-69.4	0	0	0	0	111	Q345 N347 V365	S236-Q345 PolarHBondContact N-O 2.95Å; S236-Q345 PolarHBondContact O-N 3.2Å; S236-N347 PolarHBondContact N-ND2 2.95Å; S236-N347 PolarHBondContact OG-ND2 3.48Å; S236-V365 CarbonylContact C-O 3.53Å; S236-V365 VanDerWaalsContact CA-O 3.25Å; S236-V365 WeakPolarHBondContact CA-O 3.42Å; S236-V365 WeakPolarHBondContact CB-O 3.41Å; S236-V365 PolarHBondContact OG-O 3.01Å
237	I	96.7	Very high	94.1	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.6	169.1	-60.1	170.1	0	0	0	107.4	A221 T222 V225 E239 Q342 L343 P362 V365 T366 V367	A221-I237 HydrophobicContact CB-CD1 3.92Å; A221-I237 HydrophobicContact CB-CG1 4.22Å; A221-I237 HydrophobicContact CB-CG2 4.25Å; T222-I237 HydrophobicContact CG2-CD1 3.88Å; V225-I237 HydrophobicContact CG2-CD1 3.72Å; V225-I237 HydrophobicContact CG2-CG1 3.48Å; V225-I237 VanDerWaalsContact CG2-CG1 3.48Å; I237-E239 HydrophobicContact CG2-CG 3.92Å; I237-Q342 HydrophobicContact CG2-CB 4.4Å; I237-Q342 HydrophobicContact CG2-CG 4.49Å; I237-L343 CarbonylContact C-O 3.57Å; I237-L343 WeakPolarHBondContact CA-O 3.44Å; I237-P362 HydrophobicContact CD1-CB 4.33Å; I237-V365 PolarHBondContact N-O 3.39Å; I237-T366 HydrophobicContact CB-CG2 4.38Å; I237-T366 HydrophobicContact CG2-CG2 4.44Å; I237-T366 CarbonylContact O-C 2.62Å; I237-T366 WeakPolarHBondContact O-CA 3.39Å; I237-V367 PolarHBondContact O-N 3.37Å
238	I	94.8	Very high	93.9	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.8	173.5	-49.9	-57.7	0	0	0	108.1	Q342 L343 Q345 V367 I369	I238-Q342 CarbonylContact O-C 3.59Å; I238-Q342 WeakPolarHBondContact O-CA 3.34Å; I238-L343 HydrophobicContact CB-CB 4.19Å; I238-L343 PolarHBondContact N-O 3.12Å; I238-L343 PolarHBondContact O-N 3.04Å; I238-Q345 HydrophobicContact CG1-CB 4.08Å; I238-V367 CarbonylContact C-O 3.57Å; I238-V367 WeakPolarHBondContact CA-O 3.45Å; I238-V367 HydrophobicContact CD1-CB 3.95Å; I238-V367 HydrophobicContact CD1-CG2 4.45Å; I238-I369 HydrophobicContact CG2-CB 4.38Å; I238-I369 HydrophobicContact CG2-CD1 3.55Å; I238-I369 HydrophobicContact CG2-CG1 3.71Å; I238-I369 HydrophobicContact CG2-CG2 3.77Å
239	E	94	Very high	93.7	Very high	32 Å²	32	32.1 Å²	32.1	15%	0.15	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.9	-179	-59.4	-166.6	135.7	0	0	111.5	I237 R241 Q342 T366 V367 A368 I369	I237-E239 HydrophobicContact CG2-CG 3.92Å; E239-R241 HydrophobicContact CB-CG 4.02Å; E239-R241 IonicContact OE2-CZ 3.55Å; E239-R241 IonicContact OE2-NE 3.13Å; E239-R241 PolarHBondContact OE2-NE 2.95Å; E239-R241 IonicContact OE2-NH2 3.71Å; E239-R241 PolarHBondContact OE2-NH2 2.87Å; E239-Q342 HydrophobicContact CG-CG 4.19Å; E239-Q342 PolarHBondContact OE1-NE2 3.44Å; E239-T366 VanDerWaalsContact CD-CG2 3.41Å; E239-T366 HydrophobicContact CG-CG2 3.62Å; E239-V367 PolarHBondContact N-O 2.94Å; E239-A368 WeakPolarHBondContact O-CA 3.27Å; E239-I369 PolarHBondContact O-N 3.29Å
240	C	93.1	Very high	93.5	Very high	0 Å²	0	32 Å²	32	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	96.6	164.5	-157.9	0	0	0	0	108.4	H250 L253 Q340 Y341 I369	C240-H250 PolarHBondContact SG-ND1 3.34Å; C240-L253 HydrophobicContact CB-CD1 4.3Å; C240-Q340 CarbonylContact O-C 3.46Å; C240-Q340 WeakPolarHBondContact O-CA 3.31Å; C240-Y341 PolarHBondContact N-O 3.4Å; C240-Y341 PolarHBondContact O-N 2.89Å; C240-I369 HydrophobicContact CB-CD1 4.28Å; C240-I369 HydrophobicContact CB-CG1 4.04Å
241	R	91.6	Very high	93.3	Very high	141 Å²	141	33.4 Å²	33.4	53%	0.532	22%	0.216	S	C	.	.			trans	-84.1	-11.7	-169.7	-63.9	-178.3	-179	166.2	0.5	114.3	E239 Q340	E239-R241 HydrophobicContact CB-CG 4.02Å; E239-R241 IonicContact OE2-CZ 3.55Å; E239-R241 IonicContact OE2-NE 3.13Å; E239-R241 PolarHBondContact OE2-NE 2.95Å; E239-R241 IonicContact OE2-NH2 3.71Å; E239-R241 PolarHBondContact OE2-NH2 2.87Å; R241-Q340 WeakPolarHBondContact O-CG 3.3Å; R241-Q340 PolarHBondContact O-NE2 3.43Å
242	A	92.7	Very high	93.1	Very high	56 Å²	56	39.2 Å²	39.2	46%	0.463	24%	0.239	S	C	.	.	S	Bend	trans	-153.7	152.6	178.8	0	0	0	0	0	110	S244 H250	A242-S244 PolarHBondContact O-N 2.82Å; A242-H250 VanDerWaalsContact C-CE1 3.49Å; A242-H250 PolarHBondContact O-CE1 2.91Å
243	P	93.2	Very high	93	Very high	61 Å²	61	39.2 Å²	39.2	40%	0.396	24%	0.238	S	C	.	.			trans	-54.7	134.9	171.7	-27.1	35.9	0	0	0	112.9
244	S	91.8	Very high	92.5	Very high	27 Å²	27	39.2 Å²	39.2	19%	0.189	24%	0.238	C	C	.	.			trans	-103.5	0.5	177.2	42.5	0	0	0	0	113.3	A242 T249 H250 P251 Y252	A242-S244 PolarHBondContact O-N 2.82Å; S244-T249 PolarHBondContact N-O 3.33Å; S244-T249 VanDerWaalsContact N-O 3.08Å; S244-H250 WeakPolarHBondContact OG-CA 3.28Å; S244-P251 VanDerWaalsContact OG-CD 3.31Å; S244-P251 WeakPolarHBondContact OG-CD 3.47Å; S244-Y252 PolarHBondContact OG-N 3.18Å
245	G	90.3	Very high	92.1	Very high	20 Å²	20	39.1 Å²	39.1	21%	0.206	25%	0.245	C	C	.	.	S	Bend	trans	-140.1	172.4	-172.5	0	0	0	0	0	114.9	T249	G245-T249 PolarHBondContact N-O 3.4Å
246	P	90.8	Very high	91.7	Very high	115 Å²	115	41.4 Å²	41.4	75%	0.747	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-60.9	150.2	178.9	27.2	-34.6	0	0	0	111.5	G248 T249	P246-G248 PolarHBondContact O-N 2.79Å; P246-T249 WeakPolarHBondContact O-CB 3.44Å; P246-T249 WeakPolarHBondContact O-CG2 3.42Å; P246-T249 PolarHBondContact O-N 2.77Å; P246-T249 PolarHBondContact O-OG1 3.06Å
247	G	91.9	Very high	91.3	Very high	81 Å²	81	41.9 Å²	41.9	84%	0.835	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	67.7	14.5	178.7	0	0	0	0	0	114.9
248	G	92.6	Very high	90.6	Very high	27 Å²	27	45 Å²	45	28%	0.278	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	80.1	18.4	-175.7	0	0	0	0	0	113.7	P246	P246-G248 PolarHBondContact O-N 2.79Å
249	T	93.1	Very high	90	Very high	16 Å²	16	47.9 Å²	47.9	10%	0.098	29%	0.289	C	S	.	.			trans	-78.8	165.5	178.6	57	0	0	0	0	113	S244 G245 P246 P251 L336 V337	S244-T249 PolarHBondContact N-O 3.33Å; S244-T249 VanDerWaalsContact N-O 3.08Å; G245-T249 PolarHBondContact N-O 3.4Å; P246-T249 WeakPolarHBondContact O-CB 3.44Å; P246-T249 WeakPolarHBondContact O-CG2 3.42Å; P246-T249 PolarHBondContact O-N 2.77Å; P246-T249 PolarHBondContact O-OG1 3.06Å; T249-P251 VanDerWaalsContact C-CD 3.42Å; T249-P251 WeakPolarHBondContact O-CD 3.39Å; T249-L336 VanDerWaalsContact CA-O 3.32Å; T249-L336 WeakPolarHBondContact CA-O 3.45Å; T249-V337 HydrophobicContact CG2-CG1 4.06Å
250	H	92.3	Very high	89.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.299	C	S	.	.			trans	-121.4	64.3	-177.4	-66.8	-103.4	0	0	0	113.3	C240 A242 S244 Y252 L253 L336 Q338 Y341	C240-H250 PolarHBondContact SG-ND1 3.34Å; A242-H250 VanDerWaalsContact C-CE1 3.49Å; A242-H250 PolarHBondContact O-CE1 2.91Å; S244-H250 WeakPolarHBondContact OG-CA 3.28Å; H250-Y252 VanDerWaalsContact C-N 3.25Å; H250-Y252 PolarHBondContact O-N 3.3Å; H250-L253 HydrophobicContact CB-CB 3.92Å; H250-L253 HydrophobicContact CB-CD2 4.43Å; H250-L253 VanDerWaalsContact O-CB 3.31Å; H250-L253 WeakPolarHBondContact O-CB 3.45Å; H250-L253 PolarHBondContact O-N 2.73Å; H250-L253 VanDerWaalsContact O-N 3.16Å; H250-L336 PolarHBondContact CD2-O 2.85Å; H250-L336 VanDerWaalsContact CD2-O 3.27Å; H250-L336 PolarHBondContact N-O 3.16Å; H250-Q338 PolarHBondContact NE2-O 2.84Å; H250-Y341 HydrophobicContact CB-CD2 4.4Å; H250-Y341 HydrophobicContact CB-CE2 4.48Å; H250-Y341 AromaticContact CD2-CD2 3.78Å; H250-Y341 AromaticContact CD2-CE2 3.48Å; H250-Y341 VanDerWaalsContact CD2-CE2 3.48Å; H250-Y341 WeakPolarHBondContact CD2-CE2 3.26Å; H250-Y341 AromaticContact CE1-CD2 3.9Å; H250-Y341 AromaticContact CG-CD2 3.8Å; H250-Y341 AromaticContact CG-CE2 3.9Å; H250-Y341 AromaticContact ND1-CD2 3.9Å; H250-Y341 AromaticContact NE2-CD2 3.83Å; H250-Y341 AromaticContact NE2-CE2 3.72Å
251	P	89.5	Confident	88.9	Confident	30 Å²	30	52.5 Å²	52.5	20%	0.195	31%	0.308	C	S	.	.	H	α-helix	trans	-59.3	-31.2	179.6	24.4	-35.4	0	0	0	113.9	S244 T249 L254 T255 M333	S244-P251 VanDerWaalsContact OG-CD 3.31Å; S244-P251 WeakPolarHBondContact OG-CD 3.47Å; T249-P251 VanDerWaalsContact C-CD 3.42Å; T249-P251 WeakPolarHBondContact O-CD 3.39Å; P251-L254 PolarHBondContact O-N 3.41Å; P251-T255 WeakPolarHBondContact O-CB 3.38Å; P251-T255 PolarHBondContact O-N 3.29Å; P251-T255 PolarHBondContact O-OG1 2.8Å; P251-M333 HydrophobicContact CB-SD 3.96Å
252	Y	88.9	Confident	88.2	Confident	124 Å²	124	47.9 Å²	47.9	49%	0.486	30%	0.295	S	S	.	.	H	α-helix	trans	-72.5	-28.6	177.8	-65.6	-21.6	0	0	0	113.5	S244 H250 L254 T255 H256 S370	S244-Y252 PolarHBondContact OG-N 3.18Å; H250-Y252 VanDerWaalsContact C-N 3.25Å; H250-Y252 PolarHBondContact O-N 3.3Å; Y252-L254 VanDerWaalsContact C-N 3.3Å; Y252-L254 PolarHBondContact O-N 3Å; Y252-T255 PolarHBondContact O-N 3.33Å; Y252-H256 VanDerWaalsContact O-CB 3.3Å; Y252-H256 WeakPolarHBondContact O-CB 3.41Å; Y252-H256 PolarHBondContact O-N 3.24Å; Y252-S370 VanDerWaalsContact CD2-C 3.44Å; Y252-S370 WeakPolarHBondContact CD2-O 3.43Å; Y252-S370 WeakPolarHBondContact CD2-OXT 3.48Å; Y252-S370 WeakPolarHBondContact CE2-O 3.47Å; Y252-S370 WeakPolarHBondContact CE2-OXT 3.43Å
253	L	90	Very high	87.3	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-58.9	-48.2	170.3	-177.5	70.6	0	0	0	110	C240 H250 H256 I257 L336 Y341 L343 I369	C240-L253 HydrophobicContact CB-CD1 4.3Å; H250-L253 HydrophobicContact CB-CB 3.92Å; H250-L253 HydrophobicContact CB-CD2 4.43Å; H250-L253 VanDerWaalsContact O-CB 3.31Å; H250-L253 WeakPolarHBondContact O-CB 3.45Å; H250-L253 PolarHBondContact O-N 2.73Å; H250-L253 VanDerWaalsContact O-N 3.16Å; L253-H256 PolarHBondContact O-N 2.73Å; L253-I257 HydrophobicContact CG-CD1 4.23Å; L253-I257 VanDerWaalsContact O-CG1 3.31Å; L253-I257 WeakPolarHBondContact O-CG1 3.43Å; L253-I257 PolarHBondContact O-N 3.2Å; L253-L336 HydrophobicContact CD2-CD1 4.42Å; L253-Y341 HydrophobicContact CD2-CD1 3.98Å; L253-Y341 HydrophobicContact CD2-CD2 3.89Å; L253-Y341 HydrophobicContact CD2-CG 3.6Å; L253-L343 HydrophobicContact CD1-CD1 3.42Å; L253-L343 VanDerWaalsContact CD1-CD1 3.42Å; L253-L343 HydrophobicContact CD1-CD2 4.33Å; L253-L343 HydrophobicContact CD1-CG 3.77Å; L253-L343 HydrophobicContact CG-CD1 4.32Å; L253-I369 HydrophobicContact CD1-CD1 4.21Å
254	L	87.3	Confident	85.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-68	-39.2	-178.8	-171.7	55.3	0	0	0	112.1	P251 Y252 I257 Y258 P279 L282 M333	P251-L254 PolarHBondContact O-N 3.41Å; Y252-L254 VanDerWaalsContact C-N 3.3Å; Y252-L254 PolarHBondContact O-N 3Å; L254-I257 PolarHBondContact O-N 2.97Å; L254-Y258 WeakPolarHBondContact O-CB 3.49Å; L254-Y258 PolarHBondContact O-N 3.39Å; L254-P279 HydrophobicContact CB-CG 4.37Å; L254-P279 HydrophobicContact CD1-CB 4.23Å; L254-P279 HydrophobicContact CD2-CB 4.1Å; L254-P279 HydrophobicContact CD2-CG 4.32Å; L254-P279 WeakPolarHBondContact CD2-O 3.3Å; L254-P279 HydrophobicContact CG-CB 3.7Å; L254-P279 HydrophobicContact CG-CG 3.71Å; L254-L282 HydrophobicContact CD1-CD1 4.02Å; L254-L282 HydrophobicContact CD1-CD2 3.31Å; L254-L282 HydrophobicContact CD1-CG 3.42Å; L254-L282 VanDerWaalsContact CD1-CG 3.42Å; L254-M333 HydrophobicContact CD2-CB 4.11Å; L254-M333 HydrophobicContact CD2-CE 4.17Å; L254-M333 HydrophobicContact CD2-CG 4.24Å
255	T	86.5	Confident	83.7	Confident	64 Å²	64	51.4 Å²	51.4	39%	0.393	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-41.5	173.5	-55.3	0	0	0	0	111.7	P251 Y252 Y258 S259	P251-T255 WeakPolarHBondContact O-CB 3.38Å; P251-T255 PolarHBondContact O-N 3.29Å; P251-T255 PolarHBondContact O-OG1 2.8Å; Y252-T255 PolarHBondContact O-N 3.33Å; T255-Y258 WeakPolarHBondContact O-CB 3.25Å; T255-Y258 PolarHBondContact O-N 2.66Å; T255-S259 WeakPolarHBondContact O-CB 2.89Å; T255-S259 PolarHBondContact O-N 3.42Å
256	H	88	Confident	81.3	Confident	52 Å²	52	56.1 Å²	56.1	24%	0.241	35%	0.353	C	S	.	.	H	α-helix	trans	-63.6	-47.2	176.4	-174.2	91.6	0	0	0	111.5	Y252 L253 Y258 S259 Y260 Q345 I369	Y252-H256 VanDerWaalsContact O-CB 3.3Å; Y252-H256 WeakPolarHBondContact O-CB 3.41Å; Y252-H256 PolarHBondContact O-N 3.24Å; L253-H256 PolarHBondContact O-N 2.73Å; H256-Y258 VanDerWaalsContact C-N 3.31Å; H256-Y258 PolarHBondContact O-N 3.34Å; H256-S259 PolarHBondContact O-N 2.63Å; H256-Y260 WeakPolarHBondContact O-CB 3.23Å; H256-Y260 PolarHBondContact O-N 3.18Å; H256-Q345 PolarHBondContact NE2-OE1 3.4Å; H256-I369 HydrophobicContact CB-CD1 3.99Å
257	I	87.3	Confident	78.7	Confident	26 Å²	26	58 Å²	58	13%	0.133	35%	0.352	C	S	.	.	H	α-helix	trans	-58.9	-44.8	175.9	-66.8	163.9	0	0	0	110.5	L253 L254 Y260 I261 L282 L343	L253-I257 HydrophobicContact CG-CD1 4.23Å; L253-I257 VanDerWaalsContact O-CG1 3.31Å; L253-I257 WeakPolarHBondContact O-CG1 3.43Å; L253-I257 PolarHBondContact O-N 3.2Å; L254-I257 PolarHBondContact O-N 2.97Å; I257-Y260 PolarHBondContact O-N 3.49Å; I257-I261 HydrophobicContact CG2-CD1 3.61Å; I257-I261 HydrophobicContact CG2-CG1 4.36Å; I257-I261 VanDerWaalsContact O-CG1 3.28Å; I257-I261 WeakPolarHBondContact O-CG1 3.41Å; I257-I261 PolarHBondContact O-N 3.11Å; I257-L282 HydrophobicContact CB-CD2 4.42Å; I257-L282 HydrophobicContact CD1-CD1 3.65Å; I257-L282 HydrophobicContact CD1-CD2 4.16Å; I257-L282 HydrophobicContact CG2-CD2 3.78Å; I257-L343 HydrophobicContact CD1-CD1 3.83Å; I257-L343 HydrophobicContact CG1-CD1 3.61Å
258	Y	82.2	Confident	75.8	Confident	67 Å²	67	57.8 Å²	57.8	26%	0.263	35%	0.35	S	S	.	.	H	α-helix	trans	-58.9	-49.6	176.1	177.8	-117.3	0	0	0	112.1	L106 L254 T255 H256 Y260 I261 T262 N271 P279	L106-Y258 HydrophobicContact CD1-CD2 3.99Å; L106-Y258 HydrophobicContact CD1-CE2 4.32Å; L254-Y258 WeakPolarHBondContact O-CB 3.49Å; L254-Y258 PolarHBondContact O-N 3.39Å; T255-Y258 WeakPolarHBondContact O-CB 3.25Å; T255-Y258 PolarHBondContact O-N 2.66Å; H256-Y258 VanDerWaalsContact C-N 3.31Å; H256-Y258 PolarHBondContact O-N 3.34Å; Y258-Y260 VanDerWaalsContact C-N 3.32Å; Y258-Y260 PolarHBondContact O-N 2.78Å; Y258-I261 PolarHBondContact O-N 3.37Å; Y258-T262 HydrophobicContact CD2-CG2 3.74Å; Y258-T262 HydrophobicContact CE1-CG2 4.41Å; Y258-T262 HydrophobicContact CE2-CG2 3.42Å; Y258-T262 VanDerWaalsContact CE2-CG2 3.42Å; Y258-T262 HydrophobicContact CG-CG2 4.44Å; Y258-T262 WeakPolarHBondContact O-CB 3.4Å; Y258-T262 WeakPolarHBondContact O-CG2 3.3Å; Y258-T262 PolarHBondContact O-N 3.11Å; Y258-T262 PolarHBondContact O-OG1 3.23Å; Y258-N271 WeakPolarHBondContact CA-ND2 3.49Å; Y258-N271 VanDerWaalsContact CB-ND2 3.3Å; Y258-N271 WeakPolarHBondContact CB-ND2 3.48Å; Y258-N271 HydrophobicContact CD2-CB 3.5Å; Y258-N271 VanDerWaalsContact CD2-CB 3.5Å; Y258-N271 WeakPolarHBondContact CD2-ND2 3.27Å; Y258-N271 HydrophobicContact CE2-CB 3.79Å; Y258-N271 HydrophobicContact CG-CB 4.44Å; Y258-P279 HydrophobicContact CG-CB 4.42Å; Y258-P279 HydrophobicContact CG-CG 4.32Å
259	S	83.3	Confident	73.4	Confident	64 Å²	64	58.6 Å²	58.6	45%	0.448	35%	0.348	S	S	.	.	H	α-helix	trans	-60.1	-42.6	177.5	-174.6	0	0	0	0	111.3	T255 H256 T262 S263	T255-S259 WeakPolarHBondContact O-CB 2.89Å; T255-S259 PolarHBondContact O-N 3.42Å; H256-S259 PolarHBondContact O-N 2.63Å; S259-T262 WeakPolarHBondContact CA-OG1 3.33Å; S259-T262 PolarHBondContact O-N 3.11Å; S259-T262 PolarHBondContact O-OG1 3.44Å; S259-S263 WeakPolarHBondContact O-CB 3.48Å; S259-S263 PolarHBondContact O-N 2.85Å; S259-S263 PolarHBondContact O-OG 2.79Å
260	Y	84.4	Confident	71.5	Confident	91 Å²	91	60.9 Å²	60.9	36%	0.357	36%	0.364	S	S	.	.	H	α-helix	trans	-60.9	-48.1	178.1	173.9	-106.4	0	0	0	111.7	H256 I257 Y258 T262 S263 Q345 I346	H256-Y260 WeakPolarHBondContact O-CB 3.23Å; H256-Y260 PolarHBondContact O-N 3.18Å; I257-Y260 PolarHBondContact O-N 3.49Å; Y258-Y260 VanDerWaalsContact C-N 3.32Å; Y258-Y260 PolarHBondContact O-N 2.78Å; Y260-T262 PolarHBondContact O-N 2.55Å; Y260-S263 PolarHBondContact O-OG 3Å; Y260-Q345 VanDerWaalsContact CD2-CD 3.4Å; Y260-Q345 HydrophobicContact CD2-CG 3.55Å; Y260-Q345 HydrophobicContact CE1-CG 4.41Å; Y260-Q345 HydrophobicContact CE2-CG 3.27Å; Y260-Q345 HydrophobicContact CG-CG 4.23Å; Y260-I346 WeakPolarHBondContact CE2-O 3.45Å; Y260-I346 PolarHBondContact OH-N 2.75Å; Y260-I346 PolarHBondContact OH-O 3.24Å
261	I	79.5	Confident	69.6	Low	37 Å²	37	61.5 Å²	61.5	19%	0.19	37%	0.367	C	S	.	.	H	α-helix	trans	-68.6	-36.1	-178.4	-61.9	165.7	0	0	0	111.8	L106 I257 Y258	L106-I261 HydrophobicContact CD1-CB 4.21Å; L106-I261 HydrophobicContact CD1-CD1 4.36Å; L106-I261 HydrophobicContact CD1-CG2 3.87Å; L106-I261 HydrophobicContact CD2-CG2 3.41Å; L106-I261 VanDerWaalsContact CD2-CG2 3.41Å; L106-I261 HydrophobicContact CG-CG2 4.29Å; I257-I261 HydrophobicContact CG2-CD1 3.61Å; I257-I261 HydrophobicContact CG2-CG1 4.36Å; I257-I261 VanDerWaalsContact O-CG1 3.28Å; I257-I261 WeakPolarHBondContact O-CG1 3.41Å; I257-I261 PolarHBondContact O-N 3.11Å; Y258-I261 PolarHBondContact O-N 3.37Å
262	T	75.9	Confident	67.9	Low	44 Å²	44	60.9 Å²	60.9	27%	0.27	36%	0.362	S	S	.	.	H	α-helix	trans	-83.6	-36.4	-177.3	53.3	0	0	0	0	113.5	Y258 S259 Y260 G264 N265	Y258-T262 HydrophobicContact CD2-CG2 3.74Å; Y258-T262 HydrophobicContact CE1-CG2 4.41Å; Y258-T262 HydrophobicContact CE2-CG2 3.42Å; Y258-T262 VanDerWaalsContact CE2-CG2 3.42Å; Y258-T262 HydrophobicContact CG-CG2 4.44Å; Y258-T262 WeakPolarHBondContact O-CB 3.4Å; Y258-T262 WeakPolarHBondContact O-CG2 3.3Å; Y258-T262 PolarHBondContact O-N 3.11Å; Y258-T262 PolarHBondContact O-OG1 3.23Å; S259-T262 WeakPolarHBondContact CA-OG1 3.33Å; S259-T262 PolarHBondContact O-N 3.11Å; S259-T262 PolarHBondContact O-OG1 3.44Å; Y260-T262 PolarHBondContact O-N 2.55Å; T262-G264 VanDerWaalsContact C-N 3.32Å; T262-G264 PolarHBondContact O-N 2.84Å; T262-N265 PolarHBondContact O-N 3.49Å
263	S	74.6	Confident	66.5	Low	92 Å²	92	57.2 Å²	57.2	64%	0.643	35%	0.352	S	S	*	.	H	α-helix	trans	-68	-29	-179.9	60	0	0	0	0	113.4	S259 Y260 N265	S259-S263 WeakPolarHBondContact O-CB 3.48Å; S259-S263 PolarHBondContact O-N 2.85Å; S259-S263 PolarHBondContact O-OG 2.79Å; Y260-S263 PolarHBondContact O-OG 3Å; S263-N265 VanDerWaalsContact C-N 3.28Å; S263-N265 PolarHBondContact O-N 2.87Å
264	G	61.4	Low	65.1	Low	64 Å²	64	59.5 Å²	59.5	66%	0.66	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-8.3	178.2	0	0	0	0	0	115.2	T262	T262-G264 VanDerWaalsContact C-N 3.32Å; T262-G264 PolarHBondContact O-N 2.84Å
265	N	47.1	Very low	63.8	Low	62 Å²	62	69.2 Å²	69.2	33%	0.332	41%	0.41	S	S	.	.			trans	-126.9	104.2	-167.7	-93.7	-24	0	0	0	113	T262 S263 H267 I269	T262-N265 PolarHBondContact O-N 3.49Å; S263-N265 VanDerWaalsContact C-N 3.28Å; S263-N265 PolarHBondContact O-N 2.87Å; N265-H267 WeakPolarHBondContact CB-O 3.24Å; N265-H267 PolarHBondContact O-N 3.04Å; N265-H267 VanDerWaalsContact O-N 3.12Å; N265-I269 VanDerWaalsContact ND2-CD1 3.27Å; N265-I269 WeakPolarHBondContact ND2-CD1 3.04Å
266	S	40.1	Very low	62.9	Low	119 Å²	119	71.5 Å²	71.5	83%	0.832	42%	0.42	S	S	*	.	S	Bend	trans	-67.6	5.4	157.6	-43.4	0	0	0	0	113.2
267	H	36.5	Very low	61.9	Low	154 Å²	154	74.7 Å²	74.7	71%	0.713	44%	0.439	S	S	*	.	S	Bend	trans	-132.2	104.2	180	-67	80.6	0	0	0	108.8	N265	N265-H267 WeakPolarHBondContact CB-O 3.24Å; N265-H267 PolarHBondContact O-N 3.04Å; N265-H267 VanDerWaalsContact O-N 3.12Å
268	G	32.1	Very low	61.2	Low	78 Å²	78	78.3 Å²	78.3	80%	0.804	45%	0.453	S	S	*	.			trans	-58.4	140.1	-156.6	0	0	0	0	0	117.7
269	I	42	Very low	60.9	Low	44 Å²	44	75.4 Å²	75.4	23%	0.226	44%	0.442	C	S	.	.			trans	-152.9	140.5	172.4	-30.3	-179.6	0	0	0	109.2	L106 I107 N265	L106-I269 HydrophobicContact CD2-CB 3.53Å; L106-I269 HydrophobicContact CD2-CG2 3.48Å; L106-I269 VanDerWaalsContact CD2-CG2 3.48Å; I107-I269 WeakPolarHBondContact O-CG2 3.38Å; N265-I269 VanDerWaalsContact ND2-CD1 3.27Å; N265-I269 WeakPolarHBondContact ND2-CD1 3.04Å
270	S	52.2	Low	60.7	Low	63 Å²	63	75.3 Å²	75.3	44%	0.441	44%	0.437	S	S	.	.			trans	-127	123.1	-154.3	-45.2	0	0	0	0	121.7	N105 L106	N105-S270 CarbonylContact C-O 3.51Å; N105-S270 WeakPolarHBondContact CA-O 3.42Å; N105-S270 VanDerWaalsContact CB-CB 3.48Å; N105-S270 WeakPolarHBondContact CB-O 3.06Å; N105-S270 WeakPolarHBondContact O-CB 3.35Å; N105-S270 PolarHBondContact O-N 2.96Å; N105-S270 VanDerWaalsContact O-O 3.07Å; L106-S270 WeakPolarHBondContact CA-O 3.36Å; L106-S270 WeakPolarHBondContact CB-O 3.18Å; L106-S270 VanDerWaalsContact CG-CA 3.45Å; L106-S270 VanDerWaalsContact CG-O 3.23Å; L106-S270 WeakPolarHBondContact CG-O 3.45Å; L106-S270 PolarHBondContact N-O 2.82Å
271	N	52.1	Low	60.7	Low	13 Å²	13	71.3 Å²	71.3	7%	0.07	42%	0.423	C	S	.	.			trans	-71.4	164.1	178.4	-92.9	-22.6	0	0	0	111.8	L106 Y258 V273 P279	L106-N271 HydrophobicContact CB-CB 4.48Å; L106-N271 VanDerWaalsContact CB-OD1 3.29Å; L106-N271 WeakPolarHBondContact CB-OD1 3.5Å; L106-N271 HydrophobicContact CD1-CB 3.78Å; L106-N271 WeakPolarHBondContact CD1-OD1 3.27Å; L106-N271 HydrophobicContact CG-CB 4.47Å; L106-N271 VanDerWaalsContact CG-N 3.28Å; Y258-N271 WeakPolarHBondContact CA-ND2 3.49Å; Y258-N271 VanDerWaalsContact CB-ND2 3.3Å; Y258-N271 WeakPolarHBondContact CB-ND2 3.48Å; Y258-N271 HydrophobicContact CD2-CB 3.5Å; Y258-N271 VanDerWaalsContact CD2-CB 3.5Å; Y258-N271 WeakPolarHBondContact CD2-ND2 3.27Å; Y258-N271 HydrophobicContact CE2-CB 3.79Å; Y258-N271 HydrophobicContact CG-CB 4.44Å; N271-V273 HydrophobicContact CB-CG1 4.47Å; N271-V273 PolarHBondContact O-N 3.21Å; N271-P279 HydrophobicContact CB-CB 4.01Å
272	E	54	Low	61	Low	18 Å²	18	70.8 Å²	70.8	8%	0.084	42%	0.42	C	S	.	.			trans	-61.3	121.1	155.6	-86	-166.9	156	0	0	106.7	R103 P279 L280 R330	R103-E272 VanDerWaalsContact C-OE1 3.27Å; R103-E272 VanDerWaalsContact CA-OE1 3.28Å; R103-E272 WeakPolarHBondContact CA-OE1 3.22Å; R103-E272 WeakPolarHBondContact CB-OE1 3.47Å; R103-E272 WeakPolarHBondContact CG-OE1 3.17Å; R103-E272 WeakPolarHBondContact O-CG 3.3Å; E272-P279 CarbonylContact O-C 3.53Å; E272-P279 WeakPolarHBondContact O-CA 3.26Å; E272-L280 HydrophobicContact CB-CB 4.04Å; E272-L280 PolarHBondContact O-N 2.78Å; E272-R330 IonicContact OE1-CZ 3.58Å; E272-R330 IonicContact OE1-NH1 3.78Å; E272-R330 PolarHBondContact OE1-NH1 3.45Å; E272-R330 IonicContact OE1-NH2 3.27Å; E272-R330 PolarHBondContact OE1-NH2 2.72Å; E272-R330 IonicContact OE2-CZ 2.79Å; E272-R330 VanDerWaalsContact OE2-CZ 3.27Å; E272-R330 IonicContact OE2-NH1 3.43Å; E272-R330 PolarHBondContact OE2-NH1 3.23Å; E272-R330 IonicContact OE2-NH2 3.56Å; E272-R330 PolarHBondContact OE2-NH2 3.13Å
273	V	59.5	Low	61.4	Low	47 Å²	47	71 Å²	71	29%	0.285	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-116.2	148.5	173.6	-66.5	0	0	0	0	110.7	N271 D277 K278	N271-V273 HydrophobicContact CB-CG1 4.47Å; N271-V273 PolarHBondContact O-N 3.21Å; V273-D277 VanDerWaalsContact CG1-O 3.24Å; V273-D277 WeakPolarHBondContact CG1-O 3.49Å; V273-D277 HydrophobicContact CG2-CB 4.48Å; V273-K278 CarbonylContact C-O 3.52Å; V273-K278 WeakPolarHBondContact CA-O 3.13Å
274	D	62	Low	62.1	Low	51 Å²	51	69.5 Å²	69.5	27%	0.273	41%	0.406	S	S	.	.			trans	-71	-175.6	169.2	69.1	4.8	0	0	0	111.5	D276 D277 K278 L280	D274-D276 PolarHBondContact O-N 3.03Å; D274-D276 VanDerWaalsContact O-N 3.08Å; D274-D276 VanDerWaalsContact OD1-C 3.31Å; D274-D276 VanDerWaalsContact OD1-CA 3.29Å; D274-D276 WeakPolarHBondContact OD1-CA 3.31Å; D274-D276 WeakPolarHBondContact OD1-CB 3.38Å; D274-D276 PolarHBondContact OD1-N 2.85Å; D274-D277 PolarHBondContact O-N 2.82Å; D274-D277 PolarHBondContact OD1-N 2.85Å; D274-K278 PolarHBondContact N-O 3.36Å; D274-K278 WeakPolarHBondContact OD1-CB 3.43Å; D274-K278 PolarHBondContact OD1-N 2.98Å; D274-L280 HydrophobicContact CB-CD1 4.2Å; D274-L280 HydrophobicContact CB-CD2 4.06Å; D274-L280 HydrophobicContact CB-CG 4.21Å
275	E	60	Low	63.6	Low	204 Å²	204	67.8 Å²	67.8	95%	0.953	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-17	176.3	-64.6	-177.7	172.1	0	0	113.3
276	D	66	Low	65.7	Low	112 Å²	112	67.8 Å²	67.8	60%	0.599	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	15.9	177.7	-63.3	-33.8	0	0	0	112.9	D274 K278	D274-D276 PolarHBondContact O-N 3.03Å; D274-D276 VanDerWaalsContact O-N 3.08Å; D274-D276 VanDerWaalsContact OD1-C 3.31Å; D274-D276 VanDerWaalsContact OD1-CA 3.29Å; D274-D276 WeakPolarHBondContact OD1-CA 3.31Å; D274-D276 WeakPolarHBondContact OD1-CB 3.38Å; D274-D276 PolarHBondContact OD1-N 2.85Å; D276-K278 VanDerWaalsContact C-N 3.26Å; D276-K278 HydrophobicContact CB-CD 4.37Å; D276-K278 HydrophobicContact CB-CG 4.16Å; D276-K278 PolarHBondContact O-N 3.32Å; D276-K278 IonicContact OD2-NZ 2.68Å; D276-K278 PolarHBondContact OD2-NZ 3.05Å
277	D	67.9	Low	68.3	Low	119 Å²	119	62.5 Å²	62.5	64%	0.636	34%	0.344	S	S	*	.	S	Bend	trans	61.6	24.3	-174.6	-71.5	-38.3	0	0	0	114.5	V273 D274	V273-D277 VanDerWaalsContact CG1-O 3.24Å; V273-D277 WeakPolarHBondContact CG1-O 3.49Å; V273-D277 HydrophobicContact CG2-CB 4.48Å; D274-D277 PolarHBondContact O-N 2.82Å; D274-D277 PolarHBondContact OD1-N 2.85Å
278	K	71.7	Confident	71	Confident	102 Å²	102	60.5 Å²	60.5	44%	0.443	34%	0.339	S	S	.	.			trans	-94.5	134.6	178.5	-57.8	177.9	-170.9	124.1	0	113.2	V273 D274 D276	V273-K278 CarbonylContact C-O 3.52Å; V273-K278 WeakPolarHBondContact CA-O 3.13Å; D274-K278 PolarHBondContact N-O 3.36Å; D274-K278 WeakPolarHBondContact OD1-CB 3.43Å; D274-K278 PolarHBondContact OD1-N 2.98Å; D276-K278 VanDerWaalsContact C-N 3.26Å; D276-K278 HydrophobicContact CB-CD 4.37Å; D276-K278 HydrophobicContact CB-CG 4.16Å; D276-K278 PolarHBondContact O-N 3.32Å; D276-K278 IonicContact OD2-NZ 2.68Å; D276-K278 PolarHBondContact OD2-NZ 3.05Å
279	P	77	Confident	73.9	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.032	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-62.9	139.4	-175.6	29.2	-38.2	0	0	0	113	L254 Y258 N271 E272 M333	L254-P279 HydrophobicContact CB-CG 4.37Å; L254-P279 HydrophobicContact CD1-CB 4.23Å; L254-P279 HydrophobicContact CD2-CB 4.1Å; L254-P279 HydrophobicContact CD2-CG 4.32Å; L254-P279 WeakPolarHBondContact CD2-O 3.3Å; L254-P279 HydrophobicContact CG-CB 3.7Å; L254-P279 HydrophobicContact CG-CG 3.71Å; Y258-P279 HydrophobicContact CG-CB 4.42Å; Y258-P279 HydrophobicContact CG-CG 4.32Å; N271-P279 HydrophobicContact CB-CB 4.01Å; E272-P279 CarbonylContact O-C 3.53Å; E272-P279 WeakPolarHBondContact O-CA 3.26Å; P279-M333 VanDerWaalsContact O-CE 3.3Å; P279-M333 WeakPolarHBondContact O-CE 3.15Å
280	L	79.6	Confident	76.4	Confident	62 Å²	62	57.3 Å²	57.3	33%	0.325	31%	0.307	S	S	.	.			trans	-108.8	-33.5	-175.2	-72.4	175.9	0	0	0	115.4	E272 D274 M333	E272-L280 HydrophobicContact CB-CB 4.04Å; E272-L280 PolarHBondContact O-N 2.78Å; D274-L280 HydrophobicContact CB-CD1 4.2Å; D274-L280 HydrophobicContact CB-CD2 4.06Å; D274-L280 HydrophobicContact CB-CG 4.21Å; L280-M333 HydrophobicContact CD2-CE 4.11Å; L280-M333 WeakPolarHBondContact O-CB 3.07Å; L280-M333 PolarHBondContact O-N 3.33Å
281	A	84	Confident	78.4	Confident	8 Å²	8	54.7 Å²	54.7	7%	0.066	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	162.9	-176.6	0	0	0	0	0	112.1	R330 V331	A281-R330 HydrophobicContact CB-CG 4.24Å; A281-V331 CarbonylContact C-O 3.57Å; A281-V331 VanDerWaalsContact CA-O 3.31Å; A281-V331 WeakPolarHBondContact CA-O 3.42Å
282	L	84.8	Confident	80.4	Confident	25 Å²	25	58 Å²	58	13%	0.131	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.1	174	-63.7	170.8	0	0	0	110.7	L254 I257 V284 R330 V331	L254-L282 HydrophobicContact CD1-CD1 4.02Å; L254-L282 HydrophobicContact CD1-CD2 3.31Å; L254-L282 HydrophobicContact CD1-CG 3.42Å; L254-L282 VanDerWaalsContact CD1-CG 3.42Å; I257-L282 HydrophobicContact CB-CD2 4.42Å; I257-L282 HydrophobicContact CD1-CD1 3.65Å; I257-L282 HydrophobicContact CD1-CD2 4.16Å; I257-L282 HydrophobicContact CG2-CD2 3.78Å; L282-V284 HydrophobicContact CB-CG2 4.04Å; L282-R330 WeakPolarHBondContact O-CA 3.42Å; L282-V331 HydrophobicContact CB-CB 4.46Å; L282-V331 PolarHBondContact N-O 2.98Å; L282-V331 PolarHBondContact O-N 2.71Å
283	I	85.6	Confident	82.3	Confident	50 Å²	50	57.3 Å²	57.3	26%	0.256	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	116.8	159.3	-56.9	172.2	0	0	0	106.9	L91 W104 I107 M329	L91-I283 HydrophobicContact CD1-CG2 4.1Å; W104-I283 HydrophobicContact CD2-CD1 4.3Å; W104-I283 HydrophobicContact CE3-CD1 3.29Å; W104-I283 HydrophobicContact CE3-CG1 3.72Å; W104-I283 HydrophobicContact CZ3-CD1 3.64Å; W104-I283 HydrophobicContact CZ3-CG1 3.64Å; W104-I283 HydrophobicContact CZ3-CG2 4.47Å; I107-I283 HydrophobicContact CG1-CD1 4.32Å; I283-M329 CarbonylContact C-O 3.49Å; I283-M329 WeakPolarHBondContact CA-O 3.37Å; I283-M329 HydrophobicContact CG2-CB 4.26Å; I283-M329 HydrophobicContact CG2-CE 3.99Å
284	V	89.2	Confident	84	Confident	60 Å²	60	55.1 Å²	55.1	36%	0.364	29%	0.288	S	S	.	.			trans	-109.5	126.5	179.9	-178.6	0	0	0	0	109.2	L282 D286 M329 V331	L282-V284 HydrophobicContact CB-CG2 4.04Å; V284-D286 VanDerWaalsContact C-N 3.34Å; V284-D286 PolarHBondContact O-N 3.16Å; V284-D286 VanDerWaalsContact O-N 3.16Å; V284-M329 PolarHBondContact N-O 3.26Å; V284-V331 HydrophobicContact CB-CG2 4.14Å; V284-V331 HydrophobicContact CG2-CB 4.21Å; V284-V331 HydrophobicContact CG2-CG2 3.63Å
285	L	92.1	Very high	85.6	Confident	27 Å²	27	56.6 Å²	56.6	14%	0.141	29%	0.29	C	S	.	.			trans	-82.4	82.7	169.9	-66.8	-166.3	0	0	0	108.9	I87 I88 H113 P287 M329	I87-L285 HydrophobicContact CG1-CD2 4.39Å; I87-L285 HydrophobicContact CG2-CD1 4.33Å; I87-L285 HydrophobicContact CG2-CD2 4.47Å; I88-L285 HydrophobicContact CD1-CD1 4.16Å; H113-L285 HydrophobicContact CB-CD1 4.44Å; L285-P287 WeakPolarHBondContact O-CD 3.46Å; L285-M329 HydrophobicContact CD2-CE 3.57Å
286	D	91.7	Very high	87.2	Confident	63 Å²	63	46.9 Å²	46.9	34%	0.337	25%	0.245	S	C	.	.			trans	-72.6	121.2	179.9	-179	-2	0	0	0	110.7	H113 V284 D288 V289	H113-D286 PolarHBondContact NE2-O 3.32Å; V284-D286 VanDerWaalsContact C-N 3.34Å; V284-D286 PolarHBondContact O-N 3.16Å; V284-D286 VanDerWaalsContact O-N 3.16Å; D286-D288 PolarHBondContact O-N 2.88Å; D286-D288 WeakPolarHBondContact OD1-CB 3.45Å; D286-D288 PolarHBondContact OD1-N 3.06Å; D286-V289 HydrophobicContact CB-CG2 4.03Å; D286-V289 PolarHBondContact O-N 2.95Å; D286-V289 VanDerWaalsContact O-N 3.11Å
287	P	94	Very high	88.5	Confident	8 Å²	8	41.6 Å²	41.6	5%	0.052	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.1	176.1	25.6	-34.6	0	0	0	113.5	A115 S116 C125 R128 N129 L285 V289	A115-P287 CarbonylContact C-O 3.55Å; A115-P287 VanDerWaalsContact CA-O 3.27Å; A115-P287 WeakPolarHBondContact CA-O 3.3Å; S116-P287 PolarHBondContact N-O 3.27Å; C125-P287 HydrophobicContact CB-CG 4.08Å; R128-P287 HydrophobicContact CB-CB 3.62Å; R128-P287 HydrophobicContact CB-CG 4.49Å; R128-P287 HydrophobicContact CG-CB 4.3Å; N129-P287 WeakPolarHBondContact OD1-CD 3.22Å; N129-P287 WeakPolarHBondContact OD1-CG 3.31Å; L285-P287 WeakPolarHBondContact O-CD 3.46Å; P287-V289 VanDerWaalsContact C-N 3.28Å; P287-V289 PolarHBondContact O-N 3.4Å
288	D	92.5	Very high	89.7	Confident	112 Å²	112	37.5 Å²	37.5	60%	0.599	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-12	177.1	-73	-14	0	0	0	113.4	S116 D286 S290	S116-D288 PolarHBondContact OG-OD1 3.05Å; D286-D288 PolarHBondContact O-N 2.88Å; D286-D288 WeakPolarHBondContact OD1-CB 3.45Å; D286-D288 PolarHBondContact OD1-N 3.06Å; D288-S290 PolarHBondContact O-N 3.33Å
289	V	93.3	Very high	90.7	Very high	18 Å²	18	36.3 Å²	36.3	11%	0.109	19%	0.189	C	C	.	.	S	Bend	trans	-75.3	120.6	170.5	-176.8	0	0	0	0	109.1	H113 A115 D286 P287 A293 M294 V325	H113-V289 PolarHBondContact CE1-O 3.25Å; A115-V289 WeakPolarHBondContact CB-O 3.49Å; D286-V289 HydrophobicContact CB-CG2 4.03Å; D286-V289 PolarHBondContact O-N 2.95Å; D286-V289 VanDerWaalsContact O-N 3.11Å; P287-V289 VanDerWaalsContact C-N 3.28Å; P287-V289 PolarHBondContact O-N 3.4Å; V289-A293 HydrophobicContact CG1-CB 3.82Å; V289-M294 HydrophobicContact CB-CE 3.67Å; V289-M294 HydrophobicContact CB-CG 4.45Å; V289-M294 HydrophobicContact CG1-CE 3.69Å; V289-M294 HydrophobicContact CG1-CG 3.88Å; V289-M294 HydrophobicContact CG1-SD 4.28Å; V289-M294 HydrophobicContact CG2-CE 4.08Å; V289-V325 HydrophobicContact CG1-CG1 4.18Å
290	S	94.2	Very high	91.4	Very high	37 Å²	37	36.1 Å²	36.1	26%	0.259	19%	0.188	S	C	.	.			trans	-61.2	149.5	-177.3	76	0	0	0	0	113	D288 E292 A293 M294 Y320	D288-S290 PolarHBondContact O-N 3.33Å; S290-E292 PolarHBondContact O-N 2.82Å; S290-A293 WeakPolarHBondContact O-CB 3.24Å; S290-A293 PolarHBondContact O-N 3.1Å; S290-A293 WeakPolarHBondContact OG-CB 3.46Å; S290-A293 PolarHBondContact OG-N 3.35Å; S290-A293 VanDerWaalsContact OG-N 3.12Å; S290-M294 PolarHBondContact O-N 3.07Å; S290-Y320 PolarHBondContact OG-OH 3.37Å
291	A	95	Very high	92	Very high	8 Å²	8	33.1 Å²	33.1	7%	0.066	17%	0.172	C	C	.	.	H	α-helix	trans	-58.8	-32.1	175.4	0	0	0	0	0	112.7	T82 T84 A115 R295	T82-A291 WeakPolarHBondContact O-CB 3.48Å; T84-A291 WeakPolarHBondContact OG1-CA 3.45Å; T84-A291 WeakPolarHBondContact OG1-CB 3.41Å; T84-A291 PolarHBondContact OG1-O 2.95Å; A115-A291 HydrophobicContact CB-CB 4.27Å; A291-R295 WeakPolarHBondContact O-CB 3.46Å; A291-R295 VanDerWaalsContact O-CG 3.31Å; A291-R295 WeakPolarHBondContact O-CG 3.49Å; A291-R295 PolarHBondContact O-N 3.16Å; A291-R295 PolarHBondContact O-NE 3.3Å
292	E	94.2	Very high	92.4	Very high	82 Å²	82	37.1 Å²	37.1	38%	0.383	19%	0.192	S	C	.	.	H	α-helix	trans	-67.8	-39	174.1	-172.3	57.5	-155.4	0	0	111.9	S290 R295 Q296 K299 Y320	S290-E292 PolarHBondContact O-N 2.82Å; E292-R295 IonicContact OE2-NE 2.91Å; E292-Q296 WeakPolarHBondContact O-CG 3.48Å; E292-Q296 PolarHBondContact O-NE2 3.4Å; E292-Q296 PolarHBondContact OE1-NE2 3.26Å; E292-K299 IonicContact OE1-NZ 3.46Å; E292-Y320 HydrophobicContact CB-CE2 4.26Å; E292-Y320 HydrophobicContact CG-CD2 4.42Å; E292-Y320 HydrophobicContact CG-CE2 4.07Å
293	A	94.7	Very high	92.6	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.033	21%	0.207	C	C	.	.	H	α-helix	trans	-64.1	-49.3	174.6	0	0	0	0	0	111.1	V289 S290 R295 Q296 Y320 V325	V289-A293 HydrophobicContact CG1-CB 3.82Å; S290-A293 WeakPolarHBondContact O-CB 3.24Å; S290-A293 PolarHBondContact O-N 3.1Å; S290-A293 WeakPolarHBondContact OG-CB 3.46Å; S290-A293 PolarHBondContact OG-N 3.35Å; S290-A293 VanDerWaalsContact OG-N 3.12Å; A293-R295 VanDerWaalsContact C-N 3.3Å; A293-R295 PolarHBondContact O-N 2.86Å; A293-Q296 WeakPolarHBondContact O-CB 3.33Å; A293-Q296 PolarHBondContact O-N 3.42Å; A293-Y320 HydrophobicContact CB-CD1 3.93Å; A293-Y320 HydrophobicContact CB-CD2 4.25Å; A293-Y320 HydrophobicContact CB-CE1 3.87Å; A293-Y320 HydrophobicContact CB-CE2 4.19Å; A293-Y320 HydrophobicContact CB-CG 4.13Å; A293-V325 HydrophobicContact CB-CG1 4.25Å; A293-V325 HydrophobicContact CB-CG2 3.87Å
294	M	95	Very high	92.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-39.4	177.8	-75.8	-68.2	178.8	0	0	112.5	T84 I87 V289 S290 Q296 V297 M329	T84-M294 HydrophobicContact CG2-CB 3.81Å; I87-M294 HydrophobicContact CD1-SD 4.06Å; I87-M294 HydrophobicContact CG1-SD 4.16Å; V289-M294 HydrophobicContact CB-CE 3.67Å; V289-M294 HydrophobicContact CB-CG 4.45Å; V289-M294 HydrophobicContact CG1-CE 3.69Å; V289-M294 HydrophobicContact CG1-CG 3.88Å; V289-M294 HydrophobicContact CG1-SD 4.28Å; V289-M294 HydrophobicContact CG2-CE 4.08Å; S290-M294 PolarHBondContact O-N 3.07Å; M294-Q296 PolarHBondContact O-N 3.22Å; M294-Q296 VanDerWaalsContact O-N 3.16Å; M294-V297 WeakPolarHBondContact O-CB 3.45Å; M294-V297 PolarHBondContact O-N 2.99Å; M294-M329 HydrophobicContact CE-CE 3.93Å; M294-M329 HydrophobicContact CE-CG 3.76Å; M294-M329 HydrophobicContact CE-SD 3.84Å; M294-M329 HydrophobicContact SD-CE 3.91Å; M294-M329 HydrophobicContact SD-CG 4.44Å; M294-M329 HydrophobicContact SD-SD 3.74Å
295	R	95.2	Very high	92.6	Very high	83 Å²	83	41.1 Å²	41.1	31%	0.313	20%	0.204	S	C	.	.	H	α-helix	trans	-60.2	-23.1	175.2	-83.2	-174	-89.6	-86.8	7.3	113.9	C83 T84 A291 E292 A293 V297 I298 K299	C83-R295 PolarHBondContact O-NH1 3.48Å; T84-R295 HydrophobicContact CG2-CG 3.92Å; A291-R295 WeakPolarHBondContact O-CB 3.46Å; A291-R295 VanDerWaalsContact O-CG 3.31Å; A291-R295 WeakPolarHBondContact O-CG 3.49Å; A291-R295 PolarHBondContact O-N 3.16Å; A291-R295 PolarHBondContact O-NE 3.3Å; E292-R295 IonicContact OE2-NE 2.91Å; A293-R295 VanDerWaalsContact C-N 3.3Å; A293-R295 PolarHBondContact O-N 2.86Å; R295-V297 VanDerWaalsContact C-N 3.33Å; R295-I298 PolarHBondContact O-N 3.35Å; R295-K299 WeakPolarHBondContact O-CG 3.43Å; R295-K299 PolarHBondContact O-N 3.03Å
296	Q	93.7	Very high	92.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-71.7	-29.1	175.8	-51.1	-35.4	-33.4	0	0	112.6	E292 A293 M294 I298 K299 A300 F317 Y320 W322	E292-Q296 WeakPolarHBondContact O-CG 3.48Å; E292-Q296 PolarHBondContact O-NE2 3.4Å; E292-Q296 PolarHBondContact OE1-NE2 3.26Å; A293-Q296 WeakPolarHBondContact O-CB 3.33Å; A293-Q296 PolarHBondContact O-N 3.42Å; M294-Q296 PolarHBondContact O-N 3.22Å; M294-Q296 VanDerWaalsContact O-N 3.16Å; Q296-I298 VanDerWaalsContact C-N 3.33Å; Q296-K299 PolarHBondContact O-N 3.36Å; Q296-K299 VanDerWaalsContact OE1-CD 3.31Å; Q296-A300 WeakPolarHBondContact O-CB 3.42Å; Q296-A300 PolarHBondContact O-N 2.9Å; Q296-F317 HydrophobicContact CB-CB 4.29Å; Q296-F317 HydrophobicContact CB-CD2 4.18Å; Q296-F317 HydrophobicContact CG-CB 4.01Å; Q296-Y320 HydrophobicContact CG-CD2 4.39Å; Q296-W322 HydrophobicContact CB-CB 4.06Å
297	V	92.4	Very high	92	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.5	-40.4	172.7	-178.8	0	0	0	0	110.2	I87 L91 L94 M294 R295 A300 A301 V325 M329	I87-V297 HydrophobicContact CD1-CB 3.83Å; I87-V297 HydrophobicContact CD1-CG1 3.89Å; I87-V297 HydrophobicContact CD1-CG2 4.48Å; L91-V297 HydrophobicContact CD2-CG1 3.98Å; L94-V297 HydrophobicContact CD1-CG1 3.75Å; M294-V297 WeakPolarHBondContact O-CB 3.45Å; M294-V297 PolarHBondContact O-N 2.99Å; R295-V297 VanDerWaalsContact C-N 3.33Å; V297-A300 PolarHBondContact O-N 3.37Å; V297-A301 PolarHBondContact O-N 3.08Å; V297-V325 HydrophobicContact CG2-CB 4.26Å; V297-V325 HydrophobicContact CG2-CG1 3.86Å; V297-M329 HydrophobicContact CG2-SD 4.46Å
298	I	93.9	Very high	91.2	Very high	34 Å²	34	46.3 Å²	46.3	17%	0.174	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-48.7	175.2	-61.1	172	0	0	0	110.9	T84 D85 I87 A90 R295 Q296 A300 A301 D302	T84-I298 HydrophobicContact CG2-CD1 3.41Å; T84-I298 VanDerWaalsContact CG2-CD1 3.41Å; D85-I298 WeakPolarHBondContact O-CD1 3.44Å; I87-I298 HydrophobicContact CD1-CG1 4.43Å; A90-I298 HydrophobicContact CB-CB 4.26Å; A90-I298 HydrophobicContact CB-CG1 3.84Å; R295-I298 PolarHBondContact O-N 3.35Å; Q296-I298 VanDerWaalsContact C-N 3.33Å; I298-A300 VanDerWaalsContact C-N 3.29Å; I298-A300 PolarHBondContact O-N 3.16Å; I298-A301 WeakPolarHBondContact O-CB 3.48Å; I298-A301 PolarHBondContact O-N 3.07Å; I298-A301 VanDerWaalsContact O-N 3.08Å; I298-D302 PolarHBondContact O-N 3.29Å
299	K	93.3	Very high	90.6	Very high	77 Å²	77	48.8 Å²	48.8	34%	0.335	26%	0.259	S	S	.	.	H	α-helix	trans	-57.9	-44	175.8	-68.7	-179.8	-159.3	157.5	0	111	E292 R295 Q296 A301 D302 Y303 F317	E292-K299 IonicContact OE1-NZ 3.46Å; R295-K299 WeakPolarHBondContact O-CG 3.43Å; R295-K299 PolarHBondContact O-N 3.03Å; Q296-K299 PolarHBondContact O-N 3.36Å; Q296-K299 VanDerWaalsContact OE1-CD 3.31Å; K299-A301 VanDerWaalsContact C-N 3.29Å; K299-A301 PolarHBondContact O-N 2.91Å; K299-D302 PolarHBondContact O-N 3.28Å; K299-Y303 WeakPolarHBondContact O-CB 3.46Å; K299-Y303 VanDerWaalsContact O-CD2 3.24Å; K299-Y303 WeakPolarHBondContact O-CD2 3.49Å; K299-Y303 PolarHBondContact O-N 3.28Å; K299-F317 HydrophobicContact CB-CD1 4.38Å; K299-F317 HydrophobicContact CB-CD2 4Å; K299-F317 HydrophobicContact CB-CE1 4.2Å; K299-F317 HydrophobicContact CB-CE2 3.8Å; K299-F317 HydrophobicContact CB-CG 4.28Å; K299-F317 HydrophobicContact CB-CZ 3.89Å; K299-F317 HydrophobicContact CD-CB 4.31Å; K299-F317 HydrophobicContact CD-CD1 4.16Å; K299-F317 HydrophobicContact CD-CG 4.14Å
300	A	91.9	Very high	90	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-41.3	176.6	0	0	0	0	0	112.1	L94 Q296 V297 I298 Y303 S304 F317 W322	L94-A300 HydrophobicContact CD2-CB 4.48Å; Q296-A300 WeakPolarHBondContact O-CB 3.42Å; Q296-A300 PolarHBondContact O-N 2.9Å; V297-A300 PolarHBondContact O-N 3.37Å; I298-A300 VanDerWaalsContact C-N 3.29Å; I298-A300 PolarHBondContact O-N 3.16Å; A300-Y303 PolarHBondContact O-N 3.2Å; A300-S304 WeakPolarHBondContact O-CB 3.36Å; A300-S304 PolarHBondContact O-N 3.37Å; A300-F317 HydrophobicContact CB-CE2 4.14Å; A300-W322 HydrophobicContact CB-CB 4.06Å; A300-W322 HydrophobicContact CB-CD2 3.41Å; A300-W322 VanDerWaalsContact CB-CD2 3.41Å; A300-W322 HydrophobicContact CB-CE3 3.83Å; A300-W322 HydrophobicContact CB-CG 3.48Å; A300-W322 VanDerWaalsContact CB-CG 3.48Å; A300-W322 HydrophobicContact CB-CZ2 4.5Å; A300-W322 HydrophobicContact CB-CZ3 4.5Å
301	A	91.5	Very high	89.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-47.2	175.7	0	0	0	0	0	112.2	A90 Q93 L94 V297 I298 K299 Y303 S304 I305	A90-A301 HydrophobicContact CB-CB 3.64Å; A90-A301 WeakPolarHBondContact O-CB 3.37Å; Q93-A301 HydrophobicContact CB-CB 4.19Å; L94-A301 HydrophobicContact CD1-CB 4.34Å; L94-A301 HydrophobicContact CD2-CB 4.31Å; L94-A301 HydrophobicContact CG-CB 3.92Å; V297-A301 PolarHBondContact O-N 3.08Å; I298-A301 WeakPolarHBondContact O-CB 3.48Å; I298-A301 PolarHBondContact O-N 3.07Å; I298-A301 VanDerWaalsContact O-N 3.08Å; K299-A301 VanDerWaalsContact C-N 3.29Å; K299-A301 PolarHBondContact O-N 2.91Å; A301-Y303 VanDerWaalsContact C-N 3.33Å; A301-Y303 PolarHBondContact O-N 3.23Å; A301-S304 WeakPolarHBondContact O-CB 3.15Å; A301-S304 PolarHBondContact O-N 3.31Å; A301-S304 VanDerWaalsContact O-N 3.16Å; A301-S304 PolarHBondContact O-OG 3.13Å; A301-I305 PolarHBondContact O-N 2.85Å
302	D	91.9	Very high	88.7	Confident	91 Å²	91	55.1 Å²	55.1	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-61.6	-40.4	176.3	-68.5	-28.4	0	0	0	112.2	I298 K299 I305 S306	I298-D302 PolarHBondContact O-N 3.29Å; K299-D302 PolarHBondContact O-N 3.28Å; D302-I305 PolarHBondContact O-N 3.43Å; D302-S306 PolarHBondContact O-N 3.4Å; D302-S306 PolarHBondContact O-OG 3.07Å
303	Y	89.4	Confident	88	Confident	112 Å²	112	52.2 Å²	52.2	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-66.6	-36.2	175.4	-90.9	-95	0	0	0	112.3	K299 A300 A301 I305 S306 S307 F317	K299-Y303 WeakPolarHBondContact O-CB 3.46Å; K299-Y303 VanDerWaalsContact O-CD2 3.24Å; K299-Y303 WeakPolarHBondContact O-CD2 3.49Å; K299-Y303 PolarHBondContact O-N 3.28Å; A300-Y303 PolarHBondContact O-N 3.2Å; A301-Y303 VanDerWaalsContact C-N 3.33Å; A301-Y303 PolarHBondContact O-N 3.23Å; Y303-I305 PolarHBondContact O-N 3.26Å; Y303-S306 WeakPolarHBondContact CA-OG 3.36Å; Y303-S306 PolarHBondContact O-N 3.4Å; Y303-S306 PolarHBondContact O-OG 2.87Å; Y303-S307 PolarHBondContact O-N 3.26Å; Y303-F317 AromaticContact CD2-CE1 3.8Å; Y303-F317 HydrophobicContact CD2-CE1 3.8Å; Y303-F317 AromaticContact CD2-CZ 3.57Å; Y303-F317 HydrophobicContact CD2-CZ 3.57Å; Y303-F317 AromaticContact CE2-CE1 3.55Å; Y303-F317 HydrophobicContact CE2-CE1 3.55Å; Y303-F317 AromaticContact CE2-CZ 3.86Å; Y303-F317 HydrophobicContact CE2-CZ 3.86Å; Y303-F317 HydrophobicContact CG-CE1 4.45Å; Y303-F317 HydrophobicContact CG-CZ 4.02Å
304	S	87.7	Confident	87.2	Confident	4 Å²	4	59.5 Å²	59.5	3%	0.028	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-29.1	177.5	80.7	0	0	0	0	112.9	S97 A300 A301 P308	S97-S304 PolarHBondContact OG-OG 3.41Å; A300-S304 WeakPolarHBondContact O-CB 3.36Å; A300-S304 PolarHBondContact O-N 3.37Å; A301-S304 WeakPolarHBondContact O-CB 3.15Å; A301-S304 PolarHBondContact O-N 3.31Å; A301-S304 VanDerWaalsContact O-N 3.16Å; A301-S304 PolarHBondContact O-OG 3.13Å; S304-P308 WeakPolarHBondContact O-CA 3.48Å
305	I	86.3	Confident	86.6	Confident	104 Å²	104	62.1 Å²	62.1	53%	0.533	32%	0.323	S	S	.	.	H	α-helix	trans	-81.2	-46.1	177.3	-65.3	169.8	0	0	0	111	Q93 A301 D302 Y303	Q93-I305 HydrophobicContact CG-CD1 4.35Å; Q93-I305 VanDerWaalsContact NE2-CD1 3.26Å; A301-I305 PolarHBondContact O-N 2.85Å; D302-I305 PolarHBondContact O-N 3.43Å; Y303-I305 PolarHBondContact O-N 3.26Å
306	S	87.5	Confident	86.1	Confident	84 Å²	84	61.6 Å²	61.6	59%	0.587	33%	0.332	S	S	*	.	H	α-helix	trans	-74.1	-26.2	-177.1	59.8	0	0	0	0	113.4	D302 Y303	D302-S306 PolarHBondContact O-N 3.4Å; D302-S306 PolarHBondContact O-OG 3.07Å; Y303-S306 WeakPolarHBondContact CA-OG 3.36Å; Y303-S306 PolarHBondContact O-N 3.4Å; Y303-S306 PolarHBondContact O-OG 2.87Å
307	S	84.8	Confident	85.6	Confident	36 Å²	36	62.7 Å²	62.7	25%	0.252	34%	0.337	S	S	.	.			trans	-138.9	66.1	-174.5	-60.7	0	0	0	0	112.7	Y303 N309 I310	Y303-S307 PolarHBondContact O-N 3.26Å; S307-N309 PolarHBondContact O-N 2.88Å; S307-N309 VanDerWaalsContact O-N 3.07Å; S307-I310 PolarHBondContact O-N 2.95Å
308	P	77.1	Confident	85.2	Confident	87 Å²	87	66.2 Å²	66.2	57%	0.565	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.1	-169.8	25.5	-35.6	0	0	0	115.2	S304	S304-P308 WeakPolarHBondContact O-CA 3.48Å
309	N	79.9	Confident	84.9	Confident	163 Å²	163	69.6 Å²	69.6	87%	0.872	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	0.1	-177.3	-63	-31.3	0	0	0	113.8	S307	S307-N309 PolarHBondContact O-N 2.88Å; S307-N309 VanDerWaalsContact O-N 3.07Å
310	I	79.3	Confident	84.7	Confident	95 Å²	95	69.9 Å²	69.9	49%	0.487	40%	0.399	S	S	.	.	S	Bend	trans	-88.5	133.8	-179.6	-64.6	-175.5	0	0	0	109.1	W99 S307 L312	W99-I310 WeakPolarHBondContact CH2-O 3.34Å; W99-I310 WeakPolarHBondContact CZ2-O 3.39Å; S307-I310 PolarHBondContact O-N 2.95Å; I310-L312 HydrophobicContact CG2-CD2 4.36Å; I310-L312 PolarHBondContact O-N 3.38Å; I310-L312 VanDerWaalsContact O-N 3.1Å
311	D	81.7	Confident	84.7	Confident	100 Å²	100	71.4 Å²	71.4	54%	0.535	41%	0.407	S	S	.	.			trans	-65.8	105.6	168.2	-175.4	10	0	0	0	110.7	S313	D311-S313 VanDerWaalsContact C-N 3.29Å; D311-S313 WeakPolarHBondContact OD1-CB 3.4Å; D311-S313 PolarHBondContact OD1-N 3.01Å; D311-S313 PolarHBondContact OD1-OG 3.09Å; D311-S313 PolarHBondContact OD2-OG 3.46Å
312	L	81.3	Confident	84.6	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.005	41%	0.408	C	S	.	.			trans	-81.1	-8.4	178.8	-60.6	-178.8	0	0	0	112.6	W99 I310 H314 L315 W322	W99-L312 HydrophobicContact CD2-CB 4.29Å; W99-L312 HydrophobicContact CD2-CD1 4Å; W99-L312 HydrophobicContact CD2-CG 4.36Å; W99-L312 HydrophobicContact CE3-CB 4.01Å; W99-L312 HydrophobicContact CH2-CB 3.79Å; W99-L312 HydrophobicContact CH2-CD1 4.4Å; W99-L312 HydrophobicContact CH2-CG 3.8Å; W99-L312 HydrophobicContact CZ2-CB 4.01Å; W99-L312 HydrophobicContact CZ2-CD1 3.76Å; W99-L312 HydrophobicContact CZ2-CG 3.55Å; W99-L312 HydrophobicContact CZ3-CB 3.74Å; W99-L312 HydrophobicContact CZ3-CG 4.24Å; I310-L312 HydrophobicContact CG2-CD2 4.36Å; I310-L312 PolarHBondContact O-N 3.38Å; I310-L312 VanDerWaalsContact O-N 3.1Å; L312-H314 VanDerWaalsContact C-N 3.33Å; L312-H314 PolarHBondContact O-N 3.44Å; L312-L315 HydrophobicContact CD2-CD2 3.76Å; L312-L315 VanDerWaalsContact O-CB 3.25Å; L312-L315 WeakPolarHBondContact O-CB 3.11Å; L312-L315 PolarHBondContact O-N 3.39Å; L312-W322 HydrophobicContact CB-CZ2 3.7Å; L312-W322 PolarHBondContact O-NE1 3.17Å
313	S	78.8	Confident	84.5	Confident	22 Å²	22	70.7 Å²	70.7	15%	0.154	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-41.3	-169	65.3	0	0	0	0	113.5	D311 N321 M323	D311-S313 VanDerWaalsContact C-N 3.29Å; D311-S313 WeakPolarHBondContact OD1-CB 3.4Å; D311-S313 PolarHBondContact OD1-N 3.01Å; D311-S313 PolarHBondContact OD1-OG 3.09Å; D311-S313 PolarHBondContact OD2-OG 3.46Å; S313-N321 PolarHBondContact O-ND2 3.03Å; S313-N321 VanDerWaalsContact O-ND2 3.17Å; S313-M323 WeakPolarHBondContact CA-SD 3.3Å; S313-M323 WeakPolarHBondContact O-CE 3.25Å
314	H	78.9	Confident	84.5	Confident	157 Å²	157	71 Å²	71	73%	0.727	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	5.6	179.8	-62.6	-64.8	0	0	0	113.6	L312 S316	L312-H314 VanDerWaalsContact C-N 3.33Å; L312-H314 PolarHBondContact O-N 3.44Å; H314-S316 PolarHBondContact O-N 2.7Å
315	L	82	Confident	84.8	Confident	54 Å²	54	71.2 Å²	71.2	28%	0.283	41%	0.412	S	S	.	.			trans	-73.7	115.8	-176.3	-169.5	62.1	0	0	0	110.5	L312 F317	L312-L315 HydrophobicContact CD2-CD2 3.76Å; L312-L315 VanDerWaalsContact O-CB 3.25Å; L312-L315 WeakPolarHBondContact O-CB 3.11Å; L312-L315 PolarHBondContact O-N 3.39Å; L315-F317 HydrophobicContact CD2-CE1 3.89Å; L315-F317 HydrophobicContact CD2-CE2 3.79Å; L315-F317 HydrophobicContact CD2-CZ 3.3Å; L315-F317 HydrophobicContact CG-CE1 4.24Å; L315-F317 HydrophobicContact CG-CE2 4.11Å; L315-F317 HydrophobicContact CG-CZ 3.91Å
316	S	85.2	Confident	84.9	Confident	73 Å²	73	66.7 Å²	66.7	51%	0.51	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	134.4	170.1	59.9	0	0	0	0	110.4	H314 Y320	H314-S316 PolarHBondContact O-N 2.7Å; S316-Y320 WeakPolarHBondContact CA-O 3.47Å
317	F	82.2	Confident	84.9	Confident	23 Å²	23	64.8 Å²	64.8	10%	0.101	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	110.2	169.8	-63.2	-73.5	0	0	0	108.7	Q296 K299 A300 Y303 L315 S319 Y320	Q296-F317 HydrophobicContact CB-CB 4.29Å; Q296-F317 HydrophobicContact CB-CD2 4.18Å; Q296-F317 HydrophobicContact CG-CB 4.01Å; K299-F317 HydrophobicContact CB-CD1 4.38Å; K299-F317 HydrophobicContact CB-CD2 4Å; K299-F317 HydrophobicContact CB-CE1 4.2Å; K299-F317 HydrophobicContact CB-CE2 3.8Å; K299-F317 HydrophobicContact CB-CG 4.28Å; K299-F317 HydrophobicContact CB-CZ 3.89Å; K299-F317 HydrophobicContact CD-CB 4.31Å; K299-F317 HydrophobicContact CD-CD1 4.16Å; K299-F317 HydrophobicContact CD-CG 4.14Å; A300-F317 HydrophobicContact CB-CE2 4.14Å; Y303-F317 AromaticContact CD2-CE1 3.8Å; Y303-F317 HydrophobicContact CD2-CE1 3.8Å; Y303-F317 AromaticContact CD2-CZ 3.57Å; Y303-F317 HydrophobicContact CD2-CZ 3.57Å; Y303-F317 AromaticContact CE2-CE1 3.55Å; Y303-F317 HydrophobicContact CE2-CE1 3.55Å; Y303-F317 AromaticContact CE2-CZ 3.86Å; Y303-F317 HydrophobicContact CE2-CZ 3.86Å; Y303-F317 HydrophobicContact CG-CE1 4.45Å; Y303-F317 HydrophobicContact CG-CZ 4.02Å; L315-F317 HydrophobicContact CD2-CE1 3.89Å; L315-F317 HydrophobicContact CD2-CE2 3.79Å; L315-F317 HydrophobicContact CD2-CZ 3.3Å; L315-F317 HydrophobicContact CG-CE1 4.24Å; L315-F317 HydrophobicContact CG-CE2 4.11Å; L315-F317 HydrophobicContact CG-CZ 3.91Å; F317-S319 PolarHBondContact O-N 2.96Å; F317-Y320 PolarHBondContact N-O 2.82Å; F317-Y320 PolarHBondContact O-N 3.21Å
318	G	84.3	Confident	85.1	Confident	74 Å²	74	66.3 Å²	66.3	76%	0.763	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	-131	-170.8	0	0	0	0	0	111.2
319	S	88	Confident	85.6	Confident	105 Å²	105	62.2 Å²	62.2	73%	0.734	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-3.5	-178.2	56.6	0	0	0	0	114.7	F317	F317-S319 PolarHBondContact O-N 2.96Å
320	Y	89.4	Confident	86	Confident	82 Å²	82	56.4 Å²	56.4	32%	0.322	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.7	-172.6	-59	-79.3	0	0	0	111.6	S290 E292 A293 Q296 S316 F317 V325	S290-Y320 PolarHBondContact OG-OH 3.37Å; E292-Y320 HydrophobicContact CB-CE2 4.26Å; E292-Y320 HydrophobicContact CG-CD2 4.42Å; E292-Y320 HydrophobicContact CG-CE2 4.07Å; A293-Y320 HydrophobicContact CB-CD1 3.93Å; A293-Y320 HydrophobicContact CB-CD2 4.25Å; A293-Y320 HydrophobicContact CB-CE1 3.87Å; A293-Y320 HydrophobicContact CB-CE2 4.19Å; A293-Y320 HydrophobicContact CB-CG 4.13Å; Q296-Y320 HydrophobicContact CG-CD2 4.39Å; S316-Y320 WeakPolarHBondContact CA-O 3.47Å; F317-Y320 PolarHBondContact N-O 2.82Å; F317-Y320 PolarHBondContact O-N 3.21Å; Y320-V325 HydrophobicContact CD1-CG2 4.41Å
321	N	90.8	Very high	86.5	Confident	32 Å²	32	53.3 Å²	53.3	17%	0.171	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	126.2	160.2	179.2	-60	0	0	0	108.1	S313 M323 D324 V325	S313-N321 PolarHBondContact O-ND2 3.03Å; S313-N321 VanDerWaalsContact O-ND2 3.17Å; N321-M323 VanDerWaalsContact C-N 3.3Å; N321-M323 PolarHBondContact O-N 3.23Å; N321-M323 WeakPolarHBondContact OD1-CA 3.4Å; N321-M323 VanDerWaalsContact OD1-CB 3.3Å; N321-M323 WeakPolarHBondContact OD1-CB 3.36Å; N321-M323 PolarHBondContact OD1-N 3.17Å; N321-D324 HydrophobicContact CB-CB 4.23Å; N321-D324 WeakPolarHBondContact CB-OD2 3.44Å; N321-D324 PolarHBondContact O-N 3.28Å; N321-D324 PolarHBondContact OD1-N 3.46Å; N321-V325 WeakPolarHBondContact O-CG2 3.42Å; N321-V325 PolarHBondContact O-N 3.12Å
322	W	90.8	Very high	86.8	Confident	2 Å²	2	51 Å²	51	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-69.3	-26.7	-174.7	71.2	-90.3	0	0	0	112.9	L94 W99 Q296 A300 L312 V325 L326	L94-W322 HydrophobicContact CD1-CE3 4.39Å; L94-W322 HydrophobicContact CD1-CZ3 4.04Å; L94-W322 HydrophobicContact CD2-CH2 4.42Å; L94-W322 HydrophobicContact CD2-CZ3 4.34Å; W99-W322 HydrophobicContact CB-CH2 4.41Å; W99-W322 HydrophobicContact CE3-CZ2 4.44Å; Q296-W322 HydrophobicContact CB-CB 4.06Å; A300-W322 HydrophobicContact CB-CB 4.06Å; A300-W322 HydrophobicContact CB-CD2 3.41Å; A300-W322 VanDerWaalsContact CB-CD2 3.41Å; A300-W322 HydrophobicContact CB-CE3 3.83Å; A300-W322 HydrophobicContact CB-CG 3.48Å; A300-W322 VanDerWaalsContact CB-CG 3.48Å; A300-W322 HydrophobicContact CB-CZ2 4.5Å; A300-W322 HydrophobicContact CB-CZ3 4.5Å; L312-W322 HydrophobicContact CB-CZ2 3.7Å; L312-W322 PolarHBondContact O-NE1 3.17Å; W322-V325 PolarHBondContact O-N 2.98Å; W322-L326 HydrophobicContact CZ3-CD2 3.97Å; W322-L326 VanDerWaalsContact O-CB 3.31Å; W322-L326 WeakPolarHBondContact O-CB 3.4Å; W322-L326 PolarHBondContact O-N 3.21Å
323	M	88.6	Confident	87.1	Confident	74 Å²	74	53.1 Å²	53.1	37%	0.365	32%	0.316	S	S	.	.	H	α-helix	trans	-71.6	-33.6	173.8	-63.9	-159.3	-46.2	0	0	112	S313 N321 V325 L326 G327	S313-M323 WeakPolarHBondContact CA-SD 3.3Å; S313-M323 WeakPolarHBondContact O-CE 3.25Å; N321-M323 VanDerWaalsContact C-N 3.3Å; N321-M323 PolarHBondContact O-N 3.23Å; N321-M323 WeakPolarHBondContact OD1-CA 3.4Å; N321-M323 VanDerWaalsContact OD1-CB 3.3Å; N321-M323 WeakPolarHBondContact OD1-CB 3.36Å; N321-M323 PolarHBondContact OD1-N 3.17Å; M323-V325 VanDerWaalsContact C-N 3.34Å; M323-L326 PolarHBondContact O-N 3.39Å; M323-G327 PolarHBondContact O-N 2.88Å
324	D	90.8	Very high	87.6	Confident	118 Å²	118	55.9 Å²	55.9	63%	0.631	34%	0.34	S	S	*	.	H	α-helix	trans	-66.2	-41.5	173.5	-67.9	-23.7	0	0	0	110.3	N321 G327 S328	N321-D324 HydrophobicContact CB-CB 4.23Å; N321-D324 WeakPolarHBondContact CB-OD2 3.44Å; N321-D324 PolarHBondContact O-N 3.28Å; N321-D324 PolarHBondContact OD1-N 3.46Å; D324-G327 PolarHBondContact O-N 2.61Å; D324-S328 PolarHBondContact O-N 2.92Å
325	V	92	Very high	88.2	Confident	9 Å²	9	53.4 Å²	53.4	6%	0.055	33%	0.329	C	S	.	.	H	α-helix	trans	-60.8	-49.8	173	179.2	0	0	0	0	110.1	V289 A293 V297 Y320 N321 W322 M323 G327 S328 M329	V289-V325 HydrophobicContact CG1-CG1 4.18Å; A293-V325 HydrophobicContact CB-CG1 4.25Å; A293-V325 HydrophobicContact CB-CG2 3.87Å; V297-V325 HydrophobicContact CG2-CB 4.26Å; V297-V325 HydrophobicContact CG2-CG1 3.86Å; Y320-V325 HydrophobicContact CD1-CG2 4.41Å; N321-V325 WeakPolarHBondContact O-CG2 3.42Å; N321-V325 PolarHBondContact O-N 3.12Å; W322-V325 PolarHBondContact O-N 2.98Å; M323-V325 VanDerWaalsContact C-N 3.34Å; V325-G327 VanDerWaalsContact C-N 3.3Å; V325-G327 PolarHBondContact O-N 2.75Å; V325-S328 PolarHBondContact O-N 2.96Å; V325-S328 VanDerWaalsContact O-N 3.11Å; V325-S328 PolarHBondContact O-OG 2.77Å; V325-M329 WeakPolarHBondContact O-CG 3.31Å; V325-M329 PolarHBondContact O-N 3.02Å
326	L	88.7	Confident	88.6	Confident	10 Å²	10	51.4 Å²	51.4	5%	0.052	32%	0.318	C	S	.	.	H	α-helix	trans	-58.5	-42.8	177.3	-174	72.9	0	0	0	112	L91 L100 W104 W322 M323 S328 M329 R330	L91-L326 HydrophobicContact CD2-CD1 3.4Å; L91-L326 VanDerWaalsContact CD2-CD1 3.4Å; L100-L326 HydrophobicContact CD1-CD2 4.46Å; L100-L326 HydrophobicContact CD2-CD2 3.28Å; W104-L326 HydrophobicContact CE3-CD1 4.11Å; W104-L326 HydrophobicContact CH2-CD1 3.53Å; W104-L326 HydrophobicContact CH2-CD2 4Å; W104-L326 HydrophobicContact CH2-CG 3.39Å; W104-L326 WeakPolarHBondContact CH2-O 3.48Å; W104-L326 HydrophobicContact CZ2-CD1 4.43Å; W104-L326 HydrophobicContact CZ2-CD2 4.11Å; W104-L326 HydrophobicContact CZ2-CG 3.94Å; W104-L326 HydrophobicContact CZ3-CD1 3.3Å; W104-L326 HydrophobicContact CZ3-CD2 4.29Å; W104-L326 HydrophobicContact CZ3-CG 3.73Å; W322-L326 HydrophobicContact CZ3-CD2 3.97Å; W322-L326 VanDerWaalsContact O-CB 3.31Å; W322-L326 WeakPolarHBondContact O-CB 3.4Å; W322-L326 PolarHBondContact O-N 3.21Å; M323-L326 PolarHBondContact O-N 3.39Å; L326-S328 VanDerWaalsContact C-N 3.3Å; L326-S328 PolarHBondContact O-N 3.1Å; L326-M329 HydrophobicContact CD1-SD 4.43Å; L326-M329 WeakPolarHBondContact O-CB 3.38Å; L326-M329 PolarHBondContact O-N 2.67Å; L326-M329 VanDerWaalsContact O-N 3.11Å; L326-R330 PolarHBondContact O-N 2.91Å
327	G	88.1	Confident	89.1	Confident	43 Å²	43	51.2 Å²	51.2	44%	0.443	31%	0.314	S	S	.	.	H	α-helix	trans	-59	-39.3	175.4	0	0	0	0	0	112.6	M323 D324 V325 M329 R330	M323-G327 PolarHBondContact O-N 2.88Å; D324-G327 PolarHBondContact O-N 2.61Å; V325-G327 VanDerWaalsContact C-N 3.3Å; V325-G327 PolarHBondContact O-N 2.75Å; G327-M329 VanDerWaalsContact C-N 3.27Å; G327-M329 PolarHBondContact O-N 3.49Å; G327-R330 PolarHBondContact O-N 3.45Å
328	S	88.9	Confident	89.6	Confident	68 Å²	68	55.5 Å²	55.5	48%	0.476	34%	0.335	S	S	.	.	H	α-helix	trans	-67.5	-24.2	175.7	72.5	0	0	0	0	114.2	D324 V325 L326 R330	D324-S328 PolarHBondContact O-N 2.92Å; V325-S328 PolarHBondContact O-N 2.96Å; V325-S328 VanDerWaalsContact O-N 3.11Å; V325-S328 PolarHBondContact O-OG 2.77Å; L326-S328 VanDerWaalsContact C-N 3.3Å; L326-S328 PolarHBondContact O-N 3.1Å; S328-R330 VanDerWaalsContact C-N 3.31Å
329	M	88.6	Confident	90	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-78.2	-18.7	175	-60.6	166.7	70.6	0	0	112.2	I87 L91 I283 V284 L285 M294 V297 V325 L326 G327	I87-M329 HydrophobicContact CD1-CE 4.47Å; I87-M329 HydrophobicContact CG1-CE 4.28Å; L91-M329 HydrophobicContact CD1-CE 3.91Å; L91-M329 HydrophobicContact CD2-CE 4.34Å; I283-M329 CarbonylContact C-O 3.49Å; I283-M329 WeakPolarHBondContact CA-O 3.37Å; I283-M329 HydrophobicContact CG2-CB 4.26Å; I283-M329 HydrophobicContact CG2-CE 3.99Å; V284-M329 PolarHBondContact N-O 3.26Å; L285-M329 HydrophobicContact CD2-CE 3.57Å; M294-M329 HydrophobicContact CE-CE 3.93Å; M294-M329 HydrophobicContact CE-CG 3.76Å; M294-M329 HydrophobicContact CE-SD 3.84Å; M294-M329 HydrophobicContact SD-CE 3.91Å; M294-M329 HydrophobicContact SD-CG 4.44Å; M294-M329 HydrophobicContact SD-SD 3.74Å; V297-M329 HydrophobicContact CG2-SD 4.46Å; V325-M329 WeakPolarHBondContact O-CG 3.31Å; V325-M329 PolarHBondContact O-N 3.02Å; L326-M329 HydrophobicContact CD1-SD 4.43Å; L326-M329 WeakPolarHBondContact O-CB 3.38Å; L326-M329 PolarHBondContact O-N 2.67Å; L326-M329 VanDerWaalsContact O-N 3.11Å; G327-M329 VanDerWaalsContact C-N 3.27Å; G327-M329 PolarHBondContact O-N 3.49Å
330	R	87.4	Confident	90.3	Very high	41 Å²	41	57.4 Å²	57.4	16%	0.155	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.3	-178.2	-177.5	-179	173.2	101.1	3.2	110.6	W104 E272 A281 L282 L326 G327 S328 D332	W104-R330 HydrophobicContact CH2-CB 3.96Å; W104-R330 HydrophobicContact CZ2-CB 4.06Å; W104-R330 HydrophobicContact CZ2-CG 4.38Å; E272-R330 IonicContact OE1-CZ 3.58Å; E272-R330 IonicContact OE1-NH1 3.78Å; E272-R330 PolarHBondContact OE1-NH1 3.45Å; E272-R330 IonicContact OE1-NH2 3.27Å; E272-R330 PolarHBondContact OE1-NH2 2.72Å; E272-R330 IonicContact OE2-CZ 2.79Å; E272-R330 VanDerWaalsContact OE2-CZ 3.27Å; E272-R330 IonicContact OE2-NH1 3.43Å; E272-R330 PolarHBondContact OE2-NH1 3.23Å; E272-R330 IonicContact OE2-NH2 3.56Å; E272-R330 PolarHBondContact OE2-NH2 3.13Å; A281-R330 HydrophobicContact CB-CG 4.24Å; L282-R330 WeakPolarHBondContact O-CA 3.42Å; L326-R330 PolarHBondContact O-N 2.91Å; G327-R330 PolarHBondContact O-N 3.45Å; S328-R330 VanDerWaalsContact C-N 3.31Å; R330-D332 IonicContact CZ-OD1 3.89Å; R330-D332 IonicContact NE-OD1 3.71Å; R330-D332 PolarHBondContact NE-OD1 2.99Å; R330-D332 IonicContact NE-OD2 2.61Å; R330-D332 IonicContact NH2-OD1 2.93Å; R330-D332 PolarHBondContact NH2-OD1 3.42Å
331	V	89.2	Confident	90.5	Very high	31 Å²	31	55.6 Å²	55.6	19%	0.188	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	105.8	172.3	-177.4	0	0	0	0	109.1	A281 L282 V284 Q335 L336	A281-V331 CarbonylContact C-O 3.57Å; A281-V331 VanDerWaalsContact CA-O 3.31Å; A281-V331 WeakPolarHBondContact CA-O 3.42Å; L282-V331 HydrophobicContact CB-CB 4.46Å; L282-V331 PolarHBondContact N-O 2.98Å; L282-V331 PolarHBondContact O-N 2.71Å; V284-V331 HydrophobicContact CB-CG2 4.14Å; V284-V331 HydrophobicContact CG2-CB 4.21Å; V284-V331 HydrophobicContact CG2-CG2 3.63Å; V331-Q335 HydrophobicContact CG1-CB 4.29Å; V331-L336 HydrophobicContact CG1-CD2 3.7Å; V331-L336 HydrophobicContact CG1-CG 4.11Å
332	D	88.1	Confident	90.6	Very high	52 Å²	52	59.1 Å²	59.1	28%	0.278	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	152.3	176	-64.8	-66.5	0	0	0	111.5	R330 A334 Q335	R330-D332 IonicContact CZ-OD1 3.89Å; R330-D332 IonicContact NE-OD1 3.71Å; R330-D332 PolarHBondContact NE-OD1 2.99Å; R330-D332 IonicContact NE-OD2 2.61Å; R330-D332 IonicContact NH2-OD1 2.93Å; R330-D332 PolarHBondContact NH2-OD1 3.42Å; D332-A334 PolarHBondContact O-N 3.36Å; D332-A334 VanDerWaalsContact O-N 3.08Å; D332-Q335 HydrophobicContact CB-CG 4.32Å; D332-Q335 WeakPolarHBondContact O-CB 3.48Å; D332-Q335 PolarHBondContact O-N 3.48Å
333	M	87.9	Confident	90.7	Very high	45 Å²	45	61.4 Å²	61.4	22%	0.222	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-52.7	-33.6	174.9	-166.8	-168	-35.6	0	0	113.1	P251 L254 P279 L280 Q335 L336	P251-M333 HydrophobicContact CB-SD 3.96Å; L254-M333 HydrophobicContact CD2-CB 4.11Å; L254-M333 HydrophobicContact CD2-CE 4.17Å; L254-M333 HydrophobicContact CD2-CG 4.24Å; P279-M333 VanDerWaalsContact O-CE 3.3Å; P279-M333 WeakPolarHBondContact O-CE 3.15Å; L280-M333 HydrophobicContact CD2-CE 4.11Å; L280-M333 WeakPolarHBondContact O-CB 3.07Å; L280-M333 PolarHBondContact O-N 3.33Å; M333-Q335 PolarHBondContact O-N 2.93Å; M333-L336 PolarHBondContact O-N 3.04Å; M333-L336 VanDerWaalsContact O-N 3.17Å
334	A	89.5	Confident	91	Very high	80 Å²	80	60.1 Å²	60.1	66%	0.661	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-67.8	-17.6	177	0	0	0	0	0	114	D332 V337	D332-A334 PolarHBondContact O-N 3.36Å; D332-A334 VanDerWaalsContact O-N 3.08Å; A334-V337 WeakPolarHBondContact O-CG1 3.44Å
335	Q	91.3	Very high	91.2	Very high	104 Å²	104	56.1 Å²	56.1	49%	0.486	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-90.2	-16.2	175.3	-57.7	177.2	7.8	0	0	112.1	V331 D332 M333 V337	V331-Q335 HydrophobicContact CG1-CB 4.29Å; D332-Q335 HydrophobicContact CB-CG 4.32Å; D332-Q335 WeakPolarHBondContact O-CB 3.48Å; D332-Q335 PolarHBondContact O-N 3.48Å; M333-Q335 PolarHBondContact O-N 2.93Å; Q335-V337 VanDerWaalsContact C-N 3.28Å; Q335-V337 PolarHBondContact O-N 3.34Å
336	L	91.9	Very high	91.3	Very high	12 Å²	12	56.7 Å²	56.7	6%	0.063	32%	0.315	C	S	.	.			trans	-80.3	73.6	178	-63.3	175.7	0	0	0	110.1	T249 H250 L253 V331 M333 Y341	T249-L336 VanDerWaalsContact CA-O 3.32Å; T249-L336 WeakPolarHBondContact CA-O 3.45Å; H250-L336 PolarHBondContact CD2-O 2.85Å; H250-L336 VanDerWaalsContact CD2-O 3.27Å; H250-L336 PolarHBondContact N-O 3.16Å; L253-L336 HydrophobicContact CD2-CD1 4.42Å; V331-L336 HydrophobicContact CG1-CD2 3.7Å; V331-L336 HydrophobicContact CG1-CG 4.11Å; M333-L336 PolarHBondContact O-N 3.04Å; M333-L336 VanDerWaalsContact O-N 3.17Å; L336-Y341 VanDerWaalsContact C-OH 3.29Å; L336-Y341 WeakPolarHBondContact CA-OH 3.39Å; L336-Y341 HydrophobicContact CB-CE2 4.41Å; L336-Y341 HydrophobicContact CD2-CE1 4.1Å
337	V	94.2	Very high	91.6	Very high	69 Å²	69	58.6 Å²	58.6	42%	0.418	33%	0.325	S	S	.	.			trans	-124.4	8.4	-173.1	-62.6	0	0	0	0	114.5	T249 A334 Q335 Y341	T249-V337 HydrophobicContact CG2-CG1 4.06Å; A334-V337 WeakPolarHBondContact O-CG1 3.44Å; Q335-V337 VanDerWaalsContact C-N 3.28Å; Q335-V337 PolarHBondContact O-N 3.34Å; V337-Y341 PolarHBondContact N-OH 3.06Å; V337-Y341 VanDerWaalsContact N-OH 3.1Å
338	Q	93.5	Very high	91.8	Very high	114 Å²	114	57.2 Å²	57.2	53%	0.533	31%	0.311	S	S	.	.	S	Bend	trans	-61.8	150.7	174.4	-63.8	-60.6	-31.8	0	0	110.2	H250 Q340 Y341	H250-Q338 PolarHBondContact NE2-O 2.84Å; Q338-Q340 PolarHBondContact O-N 3.07Å; Q338-Q340 VanDerWaalsContact O-N 3.13Å; Q338-Y341 HydrophobicContact CB-CD2 4.47Å; Q338-Y341 HydrophobicContact CB-CE1 4.16Å; Q338-Y341 HydrophobicContact CB-CE2 3.75Å; Q338-Y341 WeakPolarHBondContact CB-OH 3.41Å; Q338-Y341 HydrophobicContact CG-CE1 4.19Å; Q338-Y341 HydrophobicContact CG-CE2 4.49Å; Q338-Y341 WeakPolarHBondContact CG-OH 3.45Å; Q338-Y341 PolarHBondContact N-OH 3.49Å; Q338-Y341 VanDerWaalsContact N-OH 3.09Å
339	P	93	Very high	92.1	Very high	94 Å²	94	55.5 Å²	55.5	61%	0.61	30%	0.296	S	S	*	.	S	Bend	trans	-56.7	-33.6	-179.4	-26.1	34.8	0	0	0	113.1
340	Q	93	Very high	92.4	Very high	124 Å²	124	55.9 Å²	55.9	58%	0.579	30%	0.298	S	S	*	.			trans	-144.9	151.4	-177.9	-59.2	-173.7	-18.6	0	0	110.8	C240 R241 Q338	C240-Q340 CarbonylContact O-C 3.46Å; C240-Q340 WeakPolarHBondContact O-CA 3.31Å; R241-Q340 WeakPolarHBondContact O-CG 3.3Å; R241-Q340 PolarHBondContact O-NE2 3.43Å; Q338-Q340 PolarHBondContact O-N 3.07Å; Q338-Q340 VanDerWaalsContact O-N 3.13Å
341	Y	94	Very high	92.6	Very high	45 Å²	45	60 Å²	60	18%	0.176	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.6	170.7	-72.2	-86.5	0	0	0	110.1	C240 H250 L253 L336 V337 Q338	C240-Y341 PolarHBondContact N-O 3.4Å; C240-Y341 PolarHBondContact O-N 2.89Å; H250-Y341 HydrophobicContact CB-CD2 4.4Å; H250-Y341 HydrophobicContact CB-CE2 4.48Å; H250-Y341 AromaticContact CD2-CD2 3.78Å; H250-Y341 AromaticContact CD2-CE2 3.48Å; H250-Y341 VanDerWaalsContact CD2-CE2 3.48Å; H250-Y341 WeakPolarHBondContact CD2-CE2 3.26Å; H250-Y341 AromaticContact CE1-CD2 3.9Å; H250-Y341 AromaticContact CG-CD2 3.8Å; H250-Y341 AromaticContact CG-CE2 3.9Å; H250-Y341 AromaticContact ND1-CD2 3.9Å; H250-Y341 AromaticContact NE2-CD2 3.83Å; H250-Y341 AromaticContact NE2-CE2 3.72Å; L253-Y341 HydrophobicContact CD2-CD1 3.98Å; L253-Y341 HydrophobicContact CD2-CD2 3.89Å; L253-Y341 HydrophobicContact CD2-CG 3.6Å; L336-Y341 VanDerWaalsContact C-OH 3.29Å; L336-Y341 WeakPolarHBondContact CA-OH 3.39Å; L336-Y341 HydrophobicContact CB-CE2 4.41Å; L336-Y341 HydrophobicContact CD2-CE1 4.1Å; V337-Y341 PolarHBondContact N-OH 3.06Å; V337-Y341 VanDerWaalsContact N-OH 3.1Å; Q338-Y341 HydrophobicContact CB-CD2 4.47Å; Q338-Y341 HydrophobicContact CB-CE1 4.16Å; Q338-Y341 HydrophobicContact CB-CE2 3.75Å; Q338-Y341 WeakPolarHBondContact CB-OH 3.41Å; Q338-Y341 HydrophobicContact CG-CE1 4.19Å; Q338-Y341 HydrophobicContact CG-CE2 4.49Å; Q338-Y341 WeakPolarHBondContact CG-OH 3.45Å; Q338-Y341 PolarHBondContact N-OH 3.49Å; Q338-Y341 VanDerWaalsContact N-OH 3.09Å
342	Q	93.3	Very high	92.9	Very high	106 Å²	106	61.4 Å²	61.4	50%	0.495	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.2	168.3	-68.3	-174.5	-39.6	0	0	108.7	I237 I238 E239	I237-Q342 HydrophobicContact CG2-CB 4.4Å; I237-Q342 HydrophobicContact CG2-CG 4.49Å; I238-Q342 CarbonylContact O-C 3.59Å; I238-Q342 WeakPolarHBondContact O-CA 3.34Å; E239-Q342 HydrophobicContact CG-CG 4.19Å; E239-Q342 PolarHBondContact OE1-NE2 3.44Å
343	L	93.3	Very high	93.1	Very high	50 Å²	50	63.8 Å²	63.8	26%	0.262	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.4	172.4	-54.8	175.1	0	0	0	109.6	I237 I238 L253 I257	I237-L343 CarbonylContact C-O 3.57Å; I237-L343 WeakPolarHBondContact CA-O 3.44Å; I238-L343 HydrophobicContact CB-CB 4.19Å; I238-L343 PolarHBondContact N-O 3.12Å; I238-L343 PolarHBondContact O-N 3.04Å; L253-L343 HydrophobicContact CD1-CD1 3.42Å; L253-L343 VanDerWaalsContact CD1-CD1 3.42Å; L253-L343 HydrophobicContact CD1-CD2 4.33Å; L253-L343 HydrophobicContact CD1-CG 3.77Å; L253-L343 HydrophobicContact CG-CD1 4.32Å; I257-L343 HydrophobicContact CD1-CD1 3.83Å; I257-L343 HydrophobicContact CG1-CD1 3.61Å
344	L	95	Very high	93.4	Very high	46 Å²	46	66.6 Å²	66.6	24%	0.241	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.4	163.2	-176	79.5	0	0	0	108.9	I133 M224 V225 F228 I346	I133-L344 HydrophobicContact CD1-CD2 4.04Å; M224-L344 HydrophobicContact CB-CD1 4.36Å; M224-L344 HydrophobicContact CB-CD2 4.12Å; M224-L344 HydrophobicContact CE-CD2 4.44Å; V225-L344 HydrophobicContact CG2-CD1 3.63Å; F228-L344 HydrophobicContact CD2-CD2 3.47Å; F228-L344 VanDerWaalsContact CD2-CD2 3.47Å; F228-L344 HydrophobicContact CE2-CD2 3.37Å; L344-I346 HydrophobicContact CD2-CD1 4.28Å
345	Q	94.3	Very high	93.6	Very high	34 Å²	34	64.1 Å²	64.1	16%	0.159	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131	177.7	-173.4	178.6	-73.5	0	0	110.4	S235 S236 I238 H256 Y260 N347	S235-Q345 CarbonylContact C-O 3.6Å; S235-Q345 WeakPolarHBondContact CA-O 3.37Å; S235-Q345 WeakPolarHBondContact CB-O 3.47Å; S236-Q345 PolarHBondContact N-O 2.95Å; S236-Q345 PolarHBondContact O-N 3.2Å; I238-Q345 HydrophobicContact CG1-CB 4.08Å; H256-Q345 PolarHBondContact NE2-OE1 3.4Å; Y260-Q345 VanDerWaalsContact CD2-CD 3.4Å; Y260-Q345 HydrophobicContact CD2-CG 3.55Å; Y260-Q345 HydrophobicContact CE1-CG 4.41Å; Y260-Q345 HydrophobicContact CE2-CG 3.27Å; Y260-Q345 HydrophobicContact CG-CG 4.23Å; Q345-N347 PolarHBondContact NE2-OD1 3.36Å
346	I	94.4	Very high	93.8	Very high	21 Å²	21	60.2 Å²	60.2	11%	0.108	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.2	173.8	-53.1	-52.5	0	0	0	109.6	I133 L137 F143 I233 Y260 L344	I133-I346 HydrophobicContact CG2-CD1 4.02Å; I133-I346 HydrophobicContact CG2-CG1 3.9Å; L137-I346 HydrophobicContact CD2-CG2 4.14Å; F143-I346 HydrophobicContact CE1-CG2 4.34Å; F143-I346 HydrophobicContact CZ-CG2 4.11Å; I233-I346 HydrophobicContact CG2-CD1 4.04Å; I233-I346 HydrophobicContact CG2-CG2 3.79Å; Y260-I346 WeakPolarHBondContact CE2-O 3.45Å; Y260-I346 PolarHBondContact OH-N 2.75Å; Y260-I346 PolarHBondContact OH-O 3.24Å; L344-I346 HydrophobicContact CD2-CD1 4.28Å
347	N	93.9	Very high	93.9	Very high	51 Å²	51	65.4 Å²	65.4	27%	0.273	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-14.7	-173.8	-61.1	-32.7	0	0	0	113.6	R234 S236 Q345	R234-N347 HydrophobicContact CB-CB 4.45Å; R234-N347 HydrophobicContact CG-CB 4.1Å; R234-N347 PolarHBondContact NH2-O 3.35Å; R234-N347 PolarHBondContact O-N 3.22Å; S236-N347 PolarHBondContact N-ND2 2.95Å; S236-N347 PolarHBondContact OG-ND2 3.48Å; Q345-N347 PolarHBondContact NE2-OD1 3.36Å
348	G	93.8	Very high	93.9	Very high	13 Å²	13	64.1 Å²	64.1	13%	0.134	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	145.9	-162.6	-175.5	0	0	0	0	0	112.7	R234	R234-G348 PolarHBondContact N-O 3.05Å; R234-G348 PolarHBondContact O-N 3.34Å
349	L	94.5	Very high	93.9	Very high	32 Å²	32	58.8 Å²	58.8	17%	0.168	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	153	168.6	-66.8	172.4	0	0	0	110.1	F143 R146 G232 R234 E351	F143-L349 HydrophobicContact CD1-CD2 3.42Å; F143-L349 VanDerWaalsContact CD1-CD2 3.42Å; F143-L349 HydrophobicContact CD1-CG 4Å; F143-L349 HydrophobicContact CE1-CD2 3.7Å; F143-L349 HydrophobicContact CE1-CG 3.98Å; F143-L349 HydrophobicContact CG-CD2 4.31Å; R146-L349 HydrophobicContact CB-CD1 4.16Å; R146-L349 HydrophobicContact CB-CD2 4.13Å; R146-L349 HydrophobicContact CG-CD1 4.33Å; R146-L349 HydrophobicContact CG-CD2 3.9Å; G232-L349 WeakPolarHBondContact O-CA 3.41Å; R234-L349 PolarHBondContact NH1-O 2.9Å; L349-E351 PolarHBondContact O-N 3.25Å
350	I	94.6	Very high	94	Very high	9 Å²	9	56.6 Å²	56.6	5%	0.046	29%	0.286	C	S	.	.			trans	-70.1	120.1	165.9	-69.9	179	0	0	0	107.6	Y17 G229 G232 R234 D355 L356 A359	Y17-I350 HydrophobicContact CG-CG2 4.44Å; G229-I350 VanDerWaalsContact O-CD1 3.27Å; G229-I350 WeakPolarHBondContact O-CD1 3.5Å; G232-I350 PolarHBondContact O-N 3.44Å; R234-I350 HydrophobicContact CB-CG1 4.21Å; I350-D355 HydrophobicContact CB-CB 4.26Å; I350-D355 HydrophobicContact CG1-CB 4.2Å; I350-D355 HydrophobicContact CG2-CB 3.91Å; I350-L356 HydrophobicContact CD1-CD1 4.35Å; I350-L356 HydrophobicContact CG2-CB 4.04Å; I350-A359 HydrophobicContact CD1-CB 3.91Å
351	E	92.7	Very high	94.2	Very high	129 Å²	129	53.4 Å²	53.4	60%	0.603	28%	0.275	S	S	*	.			trans	-120.1	-13.6	-176.2	-67.7	179.7	160.3	0	0	112.6	Y17 L349 D355	Y17-E351 VanDerWaalsContact CE2-O 3.31Å; Y17-E351 WeakPolarHBondContact CE2-O 3.32Å; Y17-E351 PolarHBondContact OH-O 2.99Å; Y17-E351 VanDerWaalsContact OH-O 3.09Å; L349-E351 PolarHBondContact O-N 3.25Å; E351-D355 PolarHBondContact N-OD2 3.43Å; E351-D355 VanDerWaalsContact N-OD2 3.09Å
352	T	94.2	Very high	94.1	Very high	59 Å²	59	51.2 Å²	51.2	36%	0.362	27%	0.266	S	S	.	.	S	Bend	trans	-135.4	161.1	-175.7	67.2	0	0	0	0	112.3	L354 D355 L356	T352-L354 PolarHBondContact O-N 3.46Å; T352-D355 PolarHBondContact N-OD2 2.89Å; T352-D355 PolarHBondContact O-N 3.28Å; T352-D355 PolarHBondContact OG1-N 2.95Å; T352-D355 VanDerWaalsContact OG1-N 3.1Å; T352-D355 PolarHBondContact OG1-OD2 3.49Å; T352-L356 PolarHBondContact O-N 3.45Å; T352-L356 VanDerWaalsContact O-N 3.16Å
353	D	92.4	Very high	94.1	Very high	103 Å²	103	50.9 Å²	50.9	55%	0.551	27%	0.265	S	S	*	.	H	α-helix	trans	-60.6	-30.2	171.9	-70	-35.3	0	0	0	112	Y17 L356 Q357	Y17-D353 WeakPolarHBondContact CE1-OD1 3.33Å; D353-L356 PolarHBondContact O-N 3.07Å; D353-Q357 WeakPolarHBondContact O-CB 3.32Å; D353-Q357 PolarHBondContact O-N 2.69Å
354	L	94.4	Very high	94.1	Very high	104 Å²	104	52.7 Å²	52.7	55%	0.545	28%	0.275	S	S	.	.	H	α-helix	trans	-69	-45.8	176.9	-178.3	62.9	0	0	0	111	T352 L356 Q357 D358	T352-L354 PolarHBondContact O-N 3.46Å; L354-L356 PolarHBondContact O-N 3.44Å; L354-Q357 PolarHBondContact O-N 3.17Å; L354-D358 WeakPolarHBondContact O-CB 3.39Å; L354-D358 PolarHBondContact O-N 2.7Å
355	D	94.4	Very high	94	Very high	28 Å²	28	51.2 Å²	51.2	15%	0.15	27%	0.267	C	S	.	.	H	α-helix	trans	-56.8	-41	174.8	-63.8	-48.2	0	0	0	111.2	R234 I350 E351 T352 A359	R234-D355 WeakPolarHBondContact CD-OD1 3.36Å; R234-D355 IonicContact NH1-OD1 3.02Å; R234-D355 IonicContact NH1-OD2 3.71Å; I350-D355 HydrophobicContact CB-CB 4.26Å; I350-D355 HydrophobicContact CG1-CB 4.2Å; I350-D355 HydrophobicContact CG2-CB 3.91Å; E351-D355 PolarHBondContact N-OD2 3.43Å; E351-D355 VanDerWaalsContact N-OD2 3.09Å; T352-D355 PolarHBondContact N-OD2 2.89Å; T352-D355 PolarHBondContact O-N 3.28Å; T352-D355 PolarHBondContact OG1-N 2.95Å; T352-D355 VanDerWaalsContact OG1-N 3.1Å; T352-D355 PolarHBondContact OG1-OD2 3.49Å; D355-A359 WeakPolarHBondContact O-CB 3.33Å; D355-A359 PolarHBondContact O-N 3.49Å
356	L	94.2	Very high	94	Very high	22 Å²	22	51.5 Å²	51.5	12%	0.115	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-47.2	177.3	-179.4	62.7	0	0	0	111.4	F172 I350 T352 D353 L354 D358 A359 M360	F172-L356 HydrophobicContact CE1-CD1 4.4Å; F172-L356 HydrophobicContact CZ-CD1 3.72Å; I350-L356 HydrophobicContact CD1-CD1 4.35Å; I350-L356 HydrophobicContact CG2-CB 4.04Å; T352-L356 PolarHBondContact O-N 3.45Å; T352-L356 VanDerWaalsContact O-N 3.16Å; D353-L356 PolarHBondContact O-N 3.07Å; L354-L356 PolarHBondContact O-N 3.44Å; L356-D358 VanDerWaalsContact C-N 3.29Å; L356-D358 PolarHBondContact O-N 2.94Å; L356-A359 PolarHBondContact O-N 2.98Å; L356-M360 HydrophobicContact CG-SD 4.43Å; L356-M360 VanDerWaalsContact O-CG 3.3Å; L356-M360 WeakPolarHBondContact O-CG 3.13Å; L356-M360 PolarHBondContact O-N 3.4Å
357	Q	94.4	Very high	93.9	Very high	120 Å²	120	53.8 Å²	53.8	56%	0.561	29%	0.286	S	S	*	.	H	α-helix	trans	-59.7	-41.4	178.2	-176.5	175.2	9.7	0	0	111.7	D353 L354 M360 V361	D353-Q357 WeakPolarHBondContact O-CB 3.32Å; D353-Q357 PolarHBondContact O-N 2.69Å; L354-Q357 PolarHBondContact O-N 3.17Å; Q357-M360 PolarHBondContact O-N 2.81Å; Q357-V361 PolarHBondContact O-N 3.14Å
358	D	94.3	Very high	93.7	Very high	42 Å²	42	53.9 Å²	53.9	23%	0.225	30%	0.295	C	S	.	.	H	α-helix	trans	-68	-38.5	177.2	-74.7	-17.8	0	0	0	111.7	L354 L356 M360 V361 N364 V365	L354-D358 WeakPolarHBondContact O-CB 3.39Å; L354-D358 PolarHBondContact O-N 2.7Å; L356-D358 VanDerWaalsContact C-N 3.29Å; L356-D358 PolarHBondContact O-N 2.94Å; D358-M360 VanDerWaalsContact C-N 3.27Å; D358-M360 PolarHBondContact O-N 3.36Å; D358-V361 CarbonylContact O-C 3.36Å; D358-V361 PolarHBondContact O-N 2.99Å; D358-N364 HydrophobicContact CB-CB 4.2Å; D358-N364 WeakPolarHBondContact OD1-CB 3.34Å; D358-N364 PolarHBondContact OD1-ND2 3.22Å; D358-V365 HydrophobicContact CB-CG1 3.67Å
359	A	93.5	Very high	93.2	Very high	3 Å²	3	54.5 Å²	54.5	3%	0.025	30%	0.295	C	S	.	.	H	α-helix	trans	-67.1	-26.7	174.6	0	0	0	0	0	113.5	F172 I350 D355 L356 V361	F172-A359 WeakPolarHBondContact CD1-O 3.32Å; F172-A359 HydrophobicContact CE1-CB 4.28Å; I350-A359 HydrophobicContact CD1-CB 3.91Å; D355-A359 WeakPolarHBondContact O-CB 3.33Å; D355-A359 PolarHBondContact O-N 3.49Å; L356-A359 PolarHBondContact O-N 2.98Å; A359-V361 VanDerWaalsContact C-N 3.33Å
360	M	95.8	Very high	92.1	Very high	48 Å²	48	59 Å²	59	24%	0.236	33%	0.328	C	S	.	.	H	α-helix	trans	-75.7	-20.5	175.7	-69.8	179.3	77.7	0	0	113.3	L170 F172 D173 L356 Q357 D358	L170-M360 VanDerWaalsContact O-CE 3.24Å; L170-M360 WeakPolarHBondContact O-CE 3.37Å; F172-M360 HydrophobicContact CD1-CB 4.22Å; F172-M360 HydrophobicContact CD1-CG 3.73Å; F172-M360 HydrophobicContact CD2-CE 4.23Å; F172-M360 HydrophobicContact CD2-CG 3.85Å; F172-M360 HydrophobicContact CE1-CB 4.45Å; F172-M360 HydrophobicContact CE1-CG 3.6Å; F172-M360 HydrophobicContact CE2-CE 4.38Å; F172-M360 HydrophobicContact CE2-CG 3.75Å; F172-M360 HydrophobicContact CE2-SD 4.34Å; F172-M360 HydrophobicContact CG-CB 4.39Å; F172-M360 HydrophobicContact CG-CG 3.85Å; F172-M360 HydrophobicContact CZ-CG 3.62Å; D173-M360 PolarHBondContact N-O 2.88Å; L356-M360 HydrophobicContact CG-SD 4.43Å; L356-M360 VanDerWaalsContact O-CG 3.3Å; L356-M360 WeakPolarHBondContact O-CG 3.13Å; L356-M360 PolarHBondContact O-N 3.4Å; Q357-M360 PolarHBondContact O-N 2.81Å; D358-M360 VanDerWaalsContact C-N 3.27Å; D358-M360 PolarHBondContact O-N 3.36Å
361	V	95.8	Very high	91.9	Very high	56 Å²	56	61.5 Å²	61.5	34%	0.339	34%	0.342	S	S	.	.	S	Bend	trans	-125.6	85.9	-178.2	-175.1	0	0	0	0	108.4	Q357 D358 A359 E363 N364	Q357-V361 PolarHBondContact O-N 3.14Å; D358-V361 CarbonylContact O-C 3.36Å; D358-V361 PolarHBondContact O-N 2.99Å; A359-V361 VanDerWaalsContact C-N 3.33Å; V361-E363 HydrophobicContact CG1-CB 4.45Å; V361-E363 VanDerWaalsContact CG1-OE2 3.26Å; V361-E363 WeakPolarHBondContact CG1-OE2 3.36Å; V361-E363 PolarHBondContact O-N 2.93Å; V361-N364 VanDerWaalsContact O-CB 3.3Å; V361-N364 WeakPolarHBondContact O-CB 3.47Å; V361-N364 PolarHBondContact O-N 3.3Å
362	P	93.2	Very high	91.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-54	-24.6	-172	-31.1	38.9	0	0	0	115.3	D173 T222 V225 I237 N364 V365 T366	D173-P362 HydrophobicContact CB-CG 3.81Å; T222-P362 HydrophobicContact CG2-CB 3.78Å; T222-P362 HydrophobicContact CG2-CG 4.45Å; V225-P362 HydrophobicContact CB-CB 4.31Å; V225-P362 HydrophobicContact CB-CG 4.33Å; V225-P362 HydrophobicContact CG1-CB 4.21Å; V225-P362 HydrophobicContact CG1-CG 4.16Å; I237-P362 HydrophobicContact CD1-CB 4.33Å; P362-N364 VanDerWaalsContact C-N 3.25Å; P362-N364 PolarHBondContact O-N 3.19Å; P362-V365 VanDerWaalsContact O-CG2 3.31Å; P362-V365 WeakPolarHBondContact O-CG2 3.4Å; P362-V365 PolarHBondContact O-N 3.5Å; P362-T366 PolarHBondContact O-N 3.49Å; P362-T366 PolarHBondContact O-OG1 3.27Å
363	E	93.4	Very high	91.8	Very high	98 Å²	98	57.8 Å²	57.8	46%	0.458	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-59.7	-33.8	172.5	-61.8	82	-180	0	0	112.8	V361 V365 T366	V361-E363 HydrophobicContact CG1-CB 4.45Å; V361-E363 VanDerWaalsContact CG1-OE2 3.26Å; V361-E363 WeakPolarHBondContact CG1-OE2 3.36Å; V361-E363 PolarHBondContact O-N 2.93Å; E363-V365 VanDerWaalsContact C-N 3.27Å; E363-V365 PolarHBondContact O-N 3.35Å; E363-T366 PolarHBondContact O-N 2.61Å
364	N	93.6	Very high	91.7	Very high	88 Å²	88	55.2 Å²	55.2	47%	0.471	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-66.9	-29.2	179.1	-71.4	3.6	0	0	0	112.5	D358 V361 P362	D358-N364 HydrophobicContact CB-CB 4.2Å; D358-N364 WeakPolarHBondContact OD1-CB 3.34Å; D358-N364 PolarHBondContact OD1-ND2 3.22Å; V361-N364 VanDerWaalsContact O-CB 3.3Å; V361-N364 WeakPolarHBondContact O-CB 3.47Å; V361-N364 PolarHBondContact O-N 3.3Å; P362-N364 VanDerWaalsContact C-N 3.25Å; P362-N364 PolarHBondContact O-N 3.19Å
365	V	92.6	Very high	91.6	Very high	15 Å²	15	52.1 Å²	52.1	9%	0.091	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-102.4	11.7	-178.6	-58.7	0	0	0	0	112.9	V225 S235 S236 I237 D358 P362 E363	V225-V365 HydrophobicContact CG1-CG2 3.76Å; V225-V365 HydrophobicContact CG2-CG2 4.24Å; S235-V365 WeakPolarHBondContact O-CB 3.43Å; S236-V365 CarbonylContact C-O 3.53Å; S236-V365 VanDerWaalsContact CA-O 3.25Å; S236-V365 WeakPolarHBondContact CA-O 3.42Å; S236-V365 WeakPolarHBondContact CB-O 3.41Å; S236-V365 PolarHBondContact OG-O 3.01Å; I237-V365 PolarHBondContact N-O 3.39Å; D358-V365 HydrophobicContact CB-CG1 3.67Å; P362-V365 VanDerWaalsContact O-CG2 3.31Å; P362-V365 WeakPolarHBondContact O-CG2 3.4Å; P362-V365 PolarHBondContact O-N 3.5Å; E363-V365 VanDerWaalsContact C-N 3.27Å; E363-V365 PolarHBondContact O-N 3.35Å
366	T	94.3	Very high	91.4	Very high	40 Å²	40	53.7 Å²	53.7	25%	0.245	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118	178.5	-62.2	0	0	0	0	110.4	I237 E239 P362 E363	I237-T366 HydrophobicContact CB-CG2 4.38Å; I237-T366 HydrophobicContact CG2-CG2 4.44Å; I237-T366 CarbonylContact O-C 2.62Å; I237-T366 WeakPolarHBondContact O-CA 3.39Å; E239-T366 VanDerWaalsContact CD-CG2 3.41Å; E239-T366 HydrophobicContact CG-CG2 3.62Å; P362-T366 PolarHBondContact O-N 3.49Å; P362-T366 PolarHBondContact O-OG1 3.27Å; E363-T366 PolarHBondContact O-N 2.61Å
367	V	92	Very high	91.2	Very high	69 Å²	69	56 Å²	56	42%	0.418	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.4	-179.2	-176.6	0	0	0	0	108.9	I237 I238 E239	I237-V367 PolarHBondContact O-N 3.37Å; I238-V367 CarbonylContact C-O 3.57Å; I238-V367 WeakPolarHBondContact CA-O 3.45Å; I238-V367 HydrophobicContact CD1-CB 3.95Å; I238-V367 HydrophobicContact CD1-CG2 4.45Å; E239-V367 PolarHBondContact N-O 2.94Å
368	A	89.2	Confident	90.9	Very high	54 Å²	54	51.1 Å²	51.1	45%	0.446	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	130.7	172.2	0	0	0	0	0	110.3	E239	E239-A368 WeakPolarHBondContact O-CA 3.27Å
369	I	84.3	Confident	90.7	Very high	26 Å²	26	51.8 Å²	51.8	13%	0.133	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.7	167.5	59.2	169.2	0	0	0	108.2	I238 E239 C240 L253 H256	I238-I369 HydrophobicContact CG2-CB 4.38Å; I238-I369 HydrophobicContact CG2-CD1 3.55Å; I238-I369 HydrophobicContact CG2-CG1 3.71Å; I238-I369 HydrophobicContact CG2-CG2 3.77Å; E239-I369 PolarHBondContact O-N 3.29Å; C240-I369 HydrophobicContact CB-CD1 4.28Å; C240-I369 HydrophobicContact CB-CG1 4.04Å; L253-I369 HydrophobicContact CD1-CD1 4.21Å; H256-I369 HydrophobicContact CB-CD1 3.99Å
370	S	70.3	Confident	90.4	Very high	125 Å²	125	56.3 Å²	56.3	87%	0.874	34%	0.338	S	S	*	.			trans	-127.6	0	-175.9	63.2	0	0	0	0	111.4	Y252	Y252-S370 VanDerWaalsContact CD2-C 3.44Å; Y252-S370 WeakPolarHBondContact CD2-O 3.43Å; Y252-S370 WeakPolarHBondContact CD2-OXT 3.48Å; Y252-S370 WeakPolarHBondContact CE2-O 3.47Å; Y252-S370 WeakPolarHBondContact CE2-OXT 3.43Å

Retrieved 370 of 370 residues in 163.2 ms (Link to these results)

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