A0A3Q0KJT2_SCHMA Loading...

alpha-1,6-mannosyl-glycoprotein 6-beta-N-acetylglucosaminyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KJT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 789 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	29.4	Very low	30.2	Very low	170 Å²	170	152.5 Å²	152.5	84%	0.837	79%	0.794	S	S	*	*				0	31.7	0	-115.4	-174	-86	0	0	113
2	A	27.6	Very low	30.3	Very low	69 Å²	69	145.1 Å²	145.1	57%	0.57	78%	0.782	S	S	*	*			trans	-149.2	85.5	155	0	0	0	0	0	104.3
3	N	30.9	Very low	30.7	Very low	141 Å²	141	148.8 Å²	148.8	75%	0.754	79%	0.787	S	S	*	*	S	Bend		-163.6	27.1	106.2	-86.4	-13.1	0	0	0	113.8
4	H	32.2	Very low	31.3	Very low	161 Å²	161	146.2 Å²	146.2	75%	0.745	77%	0.773	S	S	*	*	S	Bend	trans	-131.2	17.5	-178.3	-106.6	-64.8	0	0	0	117.1
5	F	31.2	Very low	31.9	Very low	184 Å²	184	152.4 Å²	152.4	81%	0.807	78%	0.782	S	S	*	*			trans	-140.3	45	-172.4	-110.6	-78.9	0	0	0	116.4
6	F	30	Very low	32.8	Very low	208 Å²	208	154.9 Å²	154.9	91%	0.912	79%	0.785	S	S	*	*			trans	-145.7	71.7	165.5	-78.2	-73.6	0	0	0	113
7	Y	27.9	Very low	33.9	Very low	249 Å²	249	155.8 Å²	155.8	98%	0.976	78%	0.783	S	S	*	*			trans	-142.5	91.6	151.5	-111.8	-85.5	0	0	0	107.8
8	G	28	Very low	34.7	Very low	69 Å²	69	154.6 Å²	154.6	71%	0.711	77%	0.768	S	S	*	*			trans	168.7	112	176.7	0	0	0	0	0	113.7
9	Q	29.8	Very low	35.7	Very low	198 Å²	198	156.8 Å²	156.8	93%	0.925	77%	0.767	S	S	*	*			trans	78.7	97.1	160.2	-52.9	-172.9	-7.2	0	0	117.8
10	S	30.1	Very low	37.1	Very low	115 Å²	115	153.9 Å²	153.9	80%	0.804	76%	0.758	S	S	*	*				166.8	89.4	112.1	-174.1	0	0	0	0	110.5
11	V	34.9	Very low	38.2	Very low	114 Å²	114	151.9 Å²	151.9	69%	0.691	75%	0.75	S	S	*	*			trans	-139.9	92.9	150.6	-175.4	0	0	0	0	107.9
12	G	32.2	Very low	39.9	Very low	63 Å²	63	150.4 Å²	150.4	65%	0.649	74%	0.739	S	S	*	*			trans	-69	152.2	157	0	0	0	0	0	110.2
13	K	34.4	Very low	42	Very low	194 Å²	194	152 Å²	152	84%	0.843	74%	0.737	S	S	*	*	S	Bend	trans	83.3	71.4	177.9	-58.5	-179.1	177.3	177.5	0	116.9
14	N	39.7	Very low	44.1	Very low	112 Å²	112	149.1 Å²	149.1	60%	0.599	73%	0.725	S	S	*	*				174.6	72.8	125.9	-98.3	-33.6	0	0	0	111.8	K16 K17 Y18	N14-K16 PolarHBondContact O-N 3.33Å; N14-K17 PolarHBondContact O-N 2.97Å; N14-Y18 WeakPolarHBondContact O-CD2 3.37Å
15	R	39.5	Very low	46	Very low	239 Å²	239	145.3 Å²	145.3	90%	0.902	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-8.5	-172.7	-90.9	-175.8	177.9	-177.6	-0.1	116.9
16	K	47.5	Very low	48.1	Very low	193 Å²	193	140.1 Å²	140.1	84%	0.839	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-32.3	176.1	-83.1	-175.2	175.9	-179.7	0	114.7	N14	N14-K16 PolarHBondContact O-N 3.33Å
17	K	50.9	Low	50.4	Low	170 Å²	170	133.2 Å²	133.2	74%	0.739	67%	0.669	S	S	*	*	H	α-helix	trans	-77.4	-33.7	178.5	-95.7	-177.1	173.3	-179.2	0	112.9	N14 R19 V20 L21	N14-K17 PolarHBondContact O-N 2.97Å; K17-R19 VanDerWaalsContact C-N 3.34Å; K17-R19 PolarHBondContact O-N 3.45Å; K17-V20 PolarHBondContact O-N 3.44Å; K17-L21 PolarHBondContact O-N 3.18Å
18	Y	48.1	Very low	52.7	Low	133 Å²	133	128.2 Å²	128.2	52%	0.522	65%	0.653	S	S	.	*	H	α-helix	trans	-69.2	-27.5	177.8	-76.8	-80.1	0	0	0	113.7	N14 F22	N14-Y18 WeakPolarHBondContact O-CD2 3.37Å; Y18-F22 WeakPolarHBondContact O-CB 3.41Å; Y18-F22 PolarHBondContact O-N 3.43Å
19	R	53.4	Low	55	Low	197 Å²	197	129 Å²	129	74%	0.743	64%	0.644	S	S	*	*	H	α-helix	trans	-67.7	-40.8	176.4	-108.1	-177.4	168.5	179.6	-3.8	112.3	K17 I23	K17-R19 VanDerWaalsContact C-N 3.34Å; K17-R19 PolarHBondContact O-N 3.45Å; R19-I23 WeakPolarHBondContact O-CD1 3.33Å; R19-I23 WeakPolarHBondContact O-CG1 3.32Å; R19-I23 PolarHBondContact O-N 2.9Å; R19-I23 VanDerWaalsContact O-N 3.09Å
20	V	64.4	Low	57.4	Low	98 Å²	98	123.8 Å²	123.8	59%	0.594	62%	0.621	S	S	*	*	H	α-helix	trans	-70.2	-43	177.5	-178.1	0	0	0	0	110.2	K17 F22 I23 V24	K17-V20 PolarHBondContact O-N 3.44Å; V20-F22 PolarHBondContact O-N 2.94Å; V20-I23 PolarHBondContact O-N 2.84Å; V20-V24 HydrophobicContact CG1-CG2 4.45Å; V20-V24 VanDerWaalsContact O-CG2 3.28Å; V20-V24 WeakPolarHBondContact O-CG2 3.41Å; V20-V24 PolarHBondContact O-N 3.09Å
21	L	60.8	Low	59.5	Low	112 Å²	112	123.9 Å²	123.9	59%	0.586	61%	0.612	S	S	*	*	H	α-helix	trans	-64.8	-38.9	178.2	-147.6	81	0	0	0	112.1	K17 V24 V25	K17-L21 PolarHBondContact O-N 3.18Å; L21-V24 PolarHBondContact O-N 2.94Å; L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 3.28Å; L21-V25 PolarHBondContact O-N 3.26Å
22	F	63.8	Low	61.1	Low	139 Å²	139	121.6 Å²	121.6	61%	0.61	60%	0.598	S	S	*	*	H	α-helix	trans	-68.4	-37.2	177.8	-161	-103.7	0	0	0	112.2	Y18 V20 I26	Y18-F22 WeakPolarHBondContact O-CB 3.41Å; Y18-F22 PolarHBondContact O-N 3.43Å; V20-F22 PolarHBondContact O-N 2.94Å; F22-I26 HydrophobicContact CD1-CD1 3.51Å; F22-I26 HydrophobicContact CD1-CG1 4.35Å; F22-I26 HydrophobicContact CE1-CD1 3.28Å; F22-I26 HydrophobicContact CE1-CG1 4.27Å; F22-I26 HydrophobicContact CG-CD1 4.43Å; F22-I26 HydrophobicContact CZ-CD1 4.04Å; F22-I26 WeakPolarHBondContact O-CB 3.22Å; F22-I26 WeakPolarHBondContact O-CG1 3.16Å; F22-I26 PolarHBondContact O-N 3.32Å
23	I	72.1	Confident	62.8	Low	103 Å²	103	120.6 Å²	120.6	53%	0.528	58%	0.584	S	S	.	*	H	α-helix	trans	-66.9	-42.2	173.3	-68.4	166.3	0	0	0	110.5	R19 V20 V25 I26 C27	R19-I23 WeakPolarHBondContact O-CD1 3.33Å; R19-I23 WeakPolarHBondContact O-CG1 3.32Å; R19-I23 PolarHBondContact O-N 2.9Å; R19-I23 VanDerWaalsContact O-N 3.09Å; V20-I23 PolarHBondContact O-N 2.84Å; I23-V25 PolarHBondContact O-N 3.41Å; I23-I26 PolarHBondContact O-N 3.49Å; I23-C27 WeakPolarHBondContact O-CB 3.28Å; I23-C27 PolarHBondContact O-N 3.34Å; I23-C27 PolarHBondContact O-SG 3.17Å; I23-C27 VanDerWaalsContact O-SG 3.32Å
24	V	74.2	Confident	64.4	Low	81 Å²	81	118 Å²	118	49%	0.491	57%	0.573	S	S	.	*	H	α-helix	trans	-63.8	-42.1	177.4	172.7	0	0	0	0	111.2	V20 L21 C27 F28	V20-V24 HydrophobicContact CG1-CG2 4.45Å; V20-V24 VanDerWaalsContact O-CG2 3.28Å; V20-V24 WeakPolarHBondContact O-CG2 3.41Å; V20-V24 PolarHBondContact O-N 3.09Å; L21-V24 PolarHBondContact O-N 2.94Å; V24-C27 PolarHBondContact O-N 3.11Å; V24-F28 WeakPolarHBondContact O-CB 3.42Å; V24-F28 PolarHBondContact O-N 3.04Å
25	V	73	Confident	65.3	Low	80 Å²	80	121 Å²	121	49%	0.485	58%	0.576	S	S	.	*	H	α-helix	trans	-67.4	-42.9	177.3	173.2	0	0	0	0	111.5	L21 I23 F28 V29	L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 3.28Å; L21-V25 PolarHBondContact O-N 3.26Å; I23-V25 PolarHBondContact O-N 3.41Å; V25-F28 PolarHBondContact O-N 3.02Å; V25-V29 HydrophobicContact CG1-CG2 4.4Å; V25-V29 WeakPolarHBondContact O-CG2 3.38Å; V25-V29 PolarHBondContact O-N 3.43Å
26	I	76.4	Confident	66.1	Low	76 Å²	76	113.3 Å²	113.3	39%	0.39	56%	0.555	S	S	.	*	H	α-helix	trans	-63.1	-43.5	174.9	-72.9	174.4	0	0	0	110.9	F22 I23 F28 V29 I30	F22-I26 HydrophobicContact CD1-CD1 3.51Å; F22-I26 HydrophobicContact CD1-CG1 4.35Å; F22-I26 HydrophobicContact CE1-CD1 3.28Å; F22-I26 HydrophobicContact CE1-CG1 4.27Å; F22-I26 HydrophobicContact CG-CD1 4.43Å; F22-I26 HydrophobicContact CZ-CD1 4.04Å; F22-I26 WeakPolarHBondContact O-CB 3.22Å; F22-I26 WeakPolarHBondContact O-CG1 3.16Å; F22-I26 PolarHBondContact O-N 3.32Å; I23-I26 PolarHBondContact O-N 3.49Å; I26-F28 VanDerWaalsContact C-N 3.29Å; I26-F28 PolarHBondContact O-N 2.87Å; I26-V29 PolarHBondContact O-N 2.91Å; I26-I30 HydrophobicContact CG2-CD1 3.53Å; I26-I30 HydrophobicContact CG2-CG1 4.19Å; I26-I30 WeakPolarHBondContact O-CB 3.5Å; I26-I30 VanDerWaalsContact O-CG1 3.24Å; I26-I30 WeakPolarHBondContact O-CG1 3.19Å; I26-I30 PolarHBondContact O-N 3.35Å
27	C	76.4	Confident	66.7	Low	63 Å²	63	109.1 Å²	109.1	43%	0.426	54%	0.541	S	S	.	.	H	α-helix	trans	-61.8	-38.8	174.9	-75	0	0	0	0	111.4	I23 V24 L31	I23-C27 WeakPolarHBondContact O-CB 3.28Å; I23-C27 PolarHBondContact O-N 3.34Å; I23-C27 PolarHBondContact O-SG 3.17Å; I23-C27 VanDerWaalsContact O-SG 3.32Å; V24-C27 PolarHBondContact O-N 3.11Å; C27-L31 WeakPolarHBondContact O-CB 3.24Å; C27-L31 WeakPolarHBondContact O-CD1 3.4Å; C27-L31 WeakPolarHBondContact O-CG 3.4Å; C27-L31 PolarHBondContact O-N 3.17Å
28	F	77.4	Confident	66.7	Low	143 Å²	143	104.6 Å²	104.6	63%	0.627	53%	0.531	S	S	*	.	H	α-helix	trans	-68.3	-41.4	177.1	-142	-90.7	0	0	0	111.9	V24 V25 I26 L31 T32	V24-F28 WeakPolarHBondContact O-CB 3.42Å; V24-F28 PolarHBondContact O-N 3.04Å; V25-F28 PolarHBondContact O-N 3.02Å; I26-F28 VanDerWaalsContact C-N 3.29Å; I26-F28 PolarHBondContact O-N 2.87Å; F28-L31 PolarHBondContact O-N 3.48Å; F28-T32 HydrophobicContact CD1-CG2 3.94Å; F28-T32 HydrophobicContact CE1-CG2 4.06Å; F28-T32 WeakPolarHBondContact O-CB 3.36Å; F28-T32 VanDerWaalsContact O-CG2 3.31Å; F28-T32 WeakPolarHBondContact O-CG2 3.35Å; F28-T32 PolarHBondContact O-N 2.71Å; F28-T32 PolarHBondContact O-OG1 3.31Å; F28-T32 VanDerWaalsContact O-OG1 3.05Å
29	V	75.6	Confident	66.9	Low	86 Å²	86	100.3 Å²	100.3	52%	0.521	52%	0.517	S	S	.	.	H	α-helix	trans	-67.8	-39.3	176.1	175.6	0	0	0	0	111.6	V25 I26 T32 A33	V25-V29 HydrophobicContact CG1-CG2 4.4Å; V25-V29 WeakPolarHBondContact O-CG2 3.38Å; V25-V29 PolarHBondContact O-N 3.43Å; I26-V29 PolarHBondContact O-N 2.91Å; V29-T32 WeakPolarHBondContact CA-OG1 3.17Å; V29-T32 PolarHBondContact O-OG1 3.42Å; V29-T32 VanDerWaalsContact O-OG1 3.14Å; V29-A33 WeakPolarHBondContact O-CB 3.31Å; V29-A33 PolarHBondContact O-N 3.33Å
30	I	80.1	Confident	66.4	Low	89 Å²	89	96.2 Å²	96.2	46%	0.456	51%	0.51	S	S	.	.	H	α-helix	trans	-68.8	-39.4	175.5	-66.8	172.8	0	0	0	110.2	I26 A33 F34	I26-I30 HydrophobicContact CG2-CD1 3.53Å; I26-I30 HydrophobicContact CG2-CG1 4.19Å; I26-I30 WeakPolarHBondContact O-CB 3.5Å; I26-I30 VanDerWaalsContact O-CG1 3.24Å; I26-I30 WeakPolarHBondContact O-CG1 3.19Å; I26-I30 PolarHBondContact O-N 3.35Å; I30-A33 PolarHBondContact O-N 3.22Å; I30-F34 HydrophobicContact CG2-CD2 3.83Å; I30-F34 HydrophobicContact CG2-CE2 4.23Å; I30-F34 WeakPolarHBondContact O-CB 3.49Å; I30-F34 PolarHBondContact O-N 3.1Å
31	L	75	Confident	65.5	Low	117 Å²	117	98.2 Å²	98.2	61%	0.613	51%	0.512	S	S	*	.	H	α-helix	trans	-69	-38.1	176.8	-77.8	165.6	0	0	0	112.1	C27 F28 W35	C27-L31 WeakPolarHBondContact O-CB 3.24Å; C27-L31 WeakPolarHBondContact O-CD1 3.4Å; C27-L31 WeakPolarHBondContact O-CG 3.4Å; C27-L31 PolarHBondContact O-N 3.17Å; F28-L31 PolarHBondContact O-N 3.48Å; L31-W35 WeakPolarHBondContact O-CB 3.38Å; L31-W35 PolarHBondContact O-N 2.83Å
32	T	68.7	Low	64.5	Low	65 Å²	65	100.7 Å²	100.7	40%	0.399	52%	0.518	S	S	.	.	H	α-helix	trans	-71.8	-37.7	174.2	56.3	0	0	0	0	111.3	F28 V29 W35 V36	F28-T32 HydrophobicContact CD1-CG2 3.94Å; F28-T32 HydrophobicContact CE1-CG2 4.06Å; F28-T32 WeakPolarHBondContact O-CB 3.36Å; F28-T32 VanDerWaalsContact O-CG2 3.31Å; F28-T32 WeakPolarHBondContact O-CG2 3.35Å; F28-T32 PolarHBondContact O-N 2.71Å; F28-T32 PolarHBondContact O-OG1 3.31Å; F28-T32 VanDerWaalsContact O-OG1 3.05Å; V29-T32 WeakPolarHBondContact CA-OG1 3.17Å; V29-T32 PolarHBondContact O-OG1 3.42Å; V29-T32 VanDerWaalsContact O-OG1 3.14Å; T32-W35 PolarHBondContact O-N 3.04Å; T32-V36 WeakPolarHBondContact O-CB 3.46Å; T32-V36 VanDerWaalsContact O-CG2 3.22Å; T32-V36 WeakPolarHBondContact O-CG2 3.16Å; T32-V36 PolarHBondContact O-N 3.39Å
33	A	67.1	Low	63	Low	43 Å²	43	103.9 Å²	103.9	36%	0.355	53%	0.528	S	S	.	.	H	α-helix	trans	-63.8	-43.4	172.1	0	0	0	0	0	111.6	V29 I30 V36 I37	V29-A33 WeakPolarHBondContact O-CB 3.31Å; V29-A33 PolarHBondContact O-N 3.33Å; I30-A33 PolarHBondContact O-N 3.22Å; A33-V36 PolarHBondContact O-N 3.21Å; A33-I37 VanDerWaalsContact O-CB 3.28Å; A33-I37 WeakPolarHBondContact O-CB 3.2Å; A33-I37 WeakPolarHBondContact O-CD1 3.24Å; A33-I37 WeakPolarHBondContact O-CG1 3.37Å; A33-I37 PolarHBondContact O-N 2.64Å
34	F	67.4	Low	61.1	Low	140 Å²	140	105.1 Å²	105.1	61%	0.614	54%	0.535	S	S	*	.	H	α-helix	trans	-68	-33.2	173.7	-100.3	-87.3	0	0	0	112.4	I30 S38	I30-F34 HydrophobicContact CG2-CD2 3.83Å; I30-F34 HydrophobicContact CG2-CE2 4.23Å; I30-F34 WeakPolarHBondContact O-CB 3.49Å; I30-F34 PolarHBondContact O-N 3.1Å; F34-S38 WeakPolarHBondContact O-CA 3.44Å; F34-S38 WeakPolarHBondContact O-CB 3.43Å; F34-S38 PolarHBondContact O-N 3.47Å
35	W	59.2	Low	58.9	Low	175 Å²	175	106.8 Å²	106.8	66%	0.663	55%	0.545	S	S	*	.	H	α-helix	trans	-71.6	-37.1	175.8	-169.6	84.3	0	0	0	111.5	L31 T32 N39	L31-W35 WeakPolarHBondContact O-CB 3.38Å; L31-W35 PolarHBondContact O-N 2.83Å; T32-W35 PolarHBondContact O-N 3.04Å; W35-N39 VanDerWaalsContact CD2-ND2 3.25Å; W35-N39 WeakPolarHBondContact CZ2-ND2 3.38Å; W35-N39 PolarHBondContact NE1-ND2 2.82Å; W35-N39 VanDerWaalsContact NE1-ND2 3.18Å; W35-N39 WeakPolarHBondContact O-CB 3.36Å; W35-N39 PolarHBondContact O-N 3.05Å; W35-N39 PolarHBondContact O-ND2 2.89Å
36	V	57.3	Low	56.7	Low	76 Å²	76	112.6 Å²	112.6	46%	0.461	56%	0.564	S	S	.	*	H	α-helix	trans	-68.2	-49	172.8	171.8	0	0	0	0	110.4	T32 A33 S38 N39 D40	T32-V36 WeakPolarHBondContact O-CB 3.46Å; T32-V36 VanDerWaalsContact O-CG2 3.22Å; T32-V36 WeakPolarHBondContact O-CG2 3.16Å; T32-V36 PolarHBondContact O-N 3.39Å; A33-V36 PolarHBondContact O-N 3.21Å; V36-S38 VanDerWaalsContact C-N 3.32Å; V36-S38 PolarHBondContact O-N 2.87Å; V36-N39 PolarHBondContact O-N 2.83Å; V36-D40 WeakPolarHBondContact O-CB 3.36Å; V36-D40 PolarHBondContact O-N 2.86Å
37	I	59.3	Low	54.1	Low	106 Å²	106	119.1 Å²	119.1	54%	0.544	59%	0.585	S	S	.	*	H	α-helix	trans	-65.7	-34.6	178.2	-65.1	164.7	0	0	0	111.6	A33	A33-I37 VanDerWaalsContact O-CB 3.28Å; A33-I37 WeakPolarHBondContact O-CB 3.2Å; A33-I37 WeakPolarHBondContact O-CD1 3.24Å; A33-I37 WeakPolarHBondContact O-CG1 3.37Å; A33-I37 PolarHBondContact O-N 2.64Å
38	S	51.9	Low	51.6	Low	75 Å²	75	125.5 Å²	125.5	52%	0.524	61%	0.606	S	S	.	*	H	α-helix	trans	-85.3	-21.7	-179.7	-167.9	0	0	0	0	113.7	F34 V36	F34-S38 WeakPolarHBondContact O-CA 3.44Å; F34-S38 WeakPolarHBondContact O-CB 3.43Å; F34-S38 PolarHBondContact O-N 3.47Å; V36-S38 VanDerWaalsContact C-N 3.32Å; V36-S38 PolarHBondContact O-N 2.87Å
39	N	50.6	Low	49.3	Very low	42 Å²	42	124.6 Å²	124.6	23%	0.225	61%	0.606	C	S	.	*	H	α-helix	trans	-89.8	-22.4	172.1	-81.1	-27.8	0	0	0	113.6	W35 V36 H41 K42 Y43	W35-N39 VanDerWaalsContact CD2-ND2 3.25Å; W35-N39 WeakPolarHBondContact CZ2-ND2 3.38Å; W35-N39 PolarHBondContact NE1-ND2 2.82Å; W35-N39 VanDerWaalsContact NE1-ND2 3.18Å; W35-N39 WeakPolarHBondContact O-CB 3.36Å; W35-N39 PolarHBondContact O-N 3.05Å; W35-N39 PolarHBondContact O-ND2 2.89Å; V36-N39 PolarHBondContact O-N 2.83Å; N39-H41 PolarHBondContact O-N 3.36Å; N39-K42 PolarHBondContact O-N 2.93Å; N39-Y43 PolarHBondContact O-N 2.99Å
40	D	44.2	Very low	47.1	Very low	111 Å²	111	126.1 Å²	126.1	59%	0.594	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-22.9	169	-88.3	-20.1	0	0	0	112.1	V36	V36-D40 WeakPolarHBondContact O-CB 3.36Å; V36-D40 PolarHBondContact O-N 2.86Å
41	H	44.7	Very low	44.9	Very low	140 Å²	140	129.2 Å²	129.2	65%	0.648	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-9.1	172.9	-87.1	-72.8	0	0	0	115.5	N39	N39-H41 PolarHBondContact O-N 3.36Å
42	K	40.9	Very low	42.9	Very low	164 Å²	164	125.6 Å²	125.6	71%	0.713	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	-9.4	-178.8	-87.3	-176.8	176.5	178	0	115.3	N39 L44	N39-K42 PolarHBondContact O-N 2.93Å; K42-L44 VanDerWaalsContact C-N 3.33Å
43	Y	32.6	Very low	41.5	Very low	206 Å²	206	126.5 Å²	126.5	81%	0.808	61%	0.612	S	S	*	*	S	Bend	trans	-90.4	4.3	165.2	-70.3	-77.2	0	0	0	113.6	N39 V45	N39-Y43 PolarHBondContact O-N 2.99Å; Y43-V45 PolarHBondContact O-N 3.35Å
44	L	30.4	Very low	39.9	Very low	130 Å²	130	129.6 Å²	129.6	68%	0.681	63%	0.629	S	S	*	*			trans	-75.9	55	163.7	-78.3	163.3	0	0	0	111.4	K42	K42-L44 VanDerWaalsContact C-N 3.33Å
45	V	28.9	Very low	38.4	Very low	116 Å²	116	128.8 Å²	128.8	70%	0.703	63%	0.63	S	S	*	*			trans	-102.2	87.5	167.6	-178.8	0	0	0	0	108.4	Y43 Y47	Y43-V45 PolarHBondContact O-N 3.35Å; V45-Y47 PolarHBondContact O-N 3.34Å
46	K	25.8	Very low	37.3	Very low	202 Å²	202	124.8 Å²	124.8	88%	0.878	62%	0.619	S	S	*	*			trans	49.4	54.6	138.7	-137.5	177.2	-168.4	178.9	0	116.8
47	Y	23.3	Very low	36.4	Very low	213 Å²	213	127.5 Å²	127.5	84%	0.835	63%	0.625	S	S	*	*			trans	-83.1	116.3	141	-89.3	-88.6	0	0	0	107.5	V45 I49	V45-Y47 PolarHBondContact O-N 3.34Å; Y47-I49 PolarHBondContact O-N 2.84Å
48	K	24.2	Very low	35.4	Very low	197 Å²	197	127.3 Å²	127.3	86%	0.857	62%	0.621	S	S	*	*			trans	-67.6	75.6	162.2	-163.5	178.9	-175.1	-176.1	0	106.3	D50	K48-D50 PolarHBondContact O-N 2.76Å
49	I	28.9	Very low	34.8	Very low	123 Å²	123	127 Å²	127	63%	0.631	62%	0.616	S	S	*	*			trans	-71.2	119.1	166.9	-60.1	179.7	0	0	0	104	Y47 N51	Y47-I49 PolarHBondContact O-N 2.84Å; I49-N51 PolarHBondContact O-N 2.87Å
50	D	29	Very low	34.2	Very low	118 Å²	118	132 Å²	132	63%	0.631	63%	0.632	S	S	*	*			trans	-55	97.4	165.6	-82.6	-30	0	0	0	107.4	K48 D52	K48-D50 PolarHBondContact O-N 2.76Å; D50-D52 PolarHBondContact O-N 3.19Å
51	N	32.5	Very low	33.9	Very low	155 Å²	155	129 Å²	129	83%	0.829	62%	0.623	S	S	*	*			trans	-72.9	29.3	175.8	-113.2	2	0	0	0	111.2	I49 N53	I49-N51 PolarHBondContact O-N 2.87Å; N51-N53 PolarHBondContact O-N 3.31Å; N51-N53 VanDerWaalsContact O-N 3.09Å
52	D	34.8	Very low	33.8	Very low	40 Å²	40	126.7 Å²	126.7	21%	0.214	61%	0.614	C	S	.	*			trans	-68.9	109.8	170.1	-78.8	-21	0	0	0	106.8	D50 Q56 K57 R60	D50-D52 PolarHBondContact O-N 3.19Å; D52-Q56 HydrophobicContact CB-CB 4.31Å; D52-K57 HydrophobicContact CB-CG 4.41Å; D52-R60 IonicContact OD1-NH2 3.43Å; D52-R60 PolarHBondContact OD1-NH2 3.36Å; D52-R60 IonicContact OD2-CZ 2.78Å; D52-R60 IonicContact OD2-NH1 2.81Å; D52-R60 PolarHBondContact OD2-NH1 3.49Å; D52-R60 IonicContact OD2-NH2 3.35Å; D52-R60 PolarHBondContact OD2-NH2 3.04Å
53	N	37.6	Very low	33.7	Very low	84 Å²	84	122.5 Å²	122.5	45%	0.449	60%	0.6	S	S	.	*			trans	-39.1	137.4	171.9	-178	-10.5	0	0	0	109.7	N51 L55 Q56 K57	N51-N53 PolarHBondContact O-N 3.31Å; N51-N53 VanDerWaalsContact O-N 3.09Å; N53-L55 CarbonylContact O-C 3.57Å; N53-L55 PolarHBondContact O-N 3.29Å; N53-L55 PolarHBondContact OD1-N 2.85Å; N53-L55 VanDerWaalsContact OD1-N 3.15Å; N53-Q56 HydrophobicContact CB-CB 4.23Å; N53-Q56 WeakPolarHBondContact O-CA 3.37Å; N53-Q56 WeakPolarHBondContact O-CB 3.28Å; N53-Q56 PolarHBondContact O-N 3.29Å; N53-K57 PolarHBondContact O-N 3.48Å; N53-K57 VanDerWaalsContact O-N 3.16Å
54	P	35.5	Very low	34.2	Very low	108 Å²	108	119.2 Å²	119.2	70%	0.701	59%	0.587	S	S	*	*	H	α-helix	trans	-47.4	-32.2	172.8	-29	34.3	0	0	0	112.8	H58	P54-H58 PolarHBondContact O-N 3.27Å
55	L	34.3	Very low	34.8	Very low	123 Å²	123	117 Å²	117	64%	0.644	58%	0.575	S	S	*	*	H	α-helix	trans	-60.8	-46.4	169.6	-114.4	85	0	0	0	113.3	N53 H58 T59	N53-L55 CarbonylContact O-C 3.57Å; N53-L55 PolarHBondContact O-N 3.29Å; N53-L55 PolarHBondContact OD1-N 2.85Å; N53-L55 VanDerWaalsContact OD1-N 3.15Å; L55-H58 CarbonylContact O-C 3.59Å; L55-H58 WeakPolarHBondContact O-CB 3.35Å; L55-H58 PolarHBondContact O-N 3.21Å; L55-T59 PolarHBondContact O-N 3.46Å; L55-T59 PolarHBondContact O-OG1 3.24Å
56	Q	36.5	Very low	35.4	Very low	91 Å²	91	114.8 Å²	114.8	43%	0.425	56%	0.557	S	S	.	*	H	α-helix	trans	-67.7	-37.1	-178.4	-105.6	174.6	-28	0	0	113.4	D52 N53 H58 T59 R60	D52-Q56 HydrophobicContact CB-CB 4.31Å; N53-Q56 HydrophobicContact CB-CB 4.23Å; N53-Q56 WeakPolarHBondContact O-CA 3.37Å; N53-Q56 WeakPolarHBondContact O-CB 3.28Å; N53-Q56 PolarHBondContact O-N 3.29Å; Q56-H58 VanDerWaalsContact C-N 3.31Å; Q56-T59 PolarHBondContact O-N 3.5Å; Q56-R60 PolarHBondContact O-N 3.41Å
57	K	37.8	Very low	36.1	Very low	134 Å²	134	111.9 Å²	111.9	58%	0.583	55%	0.551	S	S	*	*	H	α-helix	trans	-63.6	-39.6	171.4	-92.1	-175.8	176.1	177.4	0	111.3	D52 N53 A61	D52-K57 HydrophobicContact CB-CG 4.41Å; N53-K57 PolarHBondContact O-N 3.48Å; N53-K57 VanDerWaalsContact O-N 3.16Å; K57-A61 WeakPolarHBondContact O-CB 3.49Å; K57-A61 PolarHBondContact O-N 3.07Å
58	H	39.6	Very low	36.9	Very low	102 Å²	102	104.6 Å²	104.6	47%	0.472	53%	0.525	S	S	.	.	H	α-helix	trans	-67.6	-39	171.3	-93.2	3.4	0	0	0	112.7	P54 L55 Q56 R60 A61 L62	P54-H58 PolarHBondContact O-N 3.27Å; L55-H58 CarbonylContact O-C 3.59Å; L55-H58 WeakPolarHBondContact O-CB 3.35Å; L55-H58 PolarHBondContact O-N 3.21Å; Q56-H58 VanDerWaalsContact C-N 3.31Å; H58-R60 PolarHBondContact O-N 3.36Å; H58-A61 PolarHBondContact O-N 3.2Å; H58-L62 VanDerWaalsContact O-CB 3.29Å; H58-L62 WeakPolarHBondContact O-CB 3.48Å; H58-L62 WeakPolarHBondContact O-CD1 3.32Å; H58-L62 WeakPolarHBondContact O-CG 3.44Å; H58-L62 PolarHBondContact O-N 3.23Å
59	T	38.1	Very low	37.5	Very low	69 Å²	69	100.3 Å²	100.3	42%	0.423	52%	0.52	S	S	.	.	H	α-helix	trans	-63	-42.2	177.6	-42.3	0	0	0	0	111.7	L55 Q56 L62 D63	L55-T59 PolarHBondContact O-N 3.46Å; L55-T59 PolarHBondContact O-OG1 3.24Å; Q56-T59 PolarHBondContact O-N 3.5Å; T59-L62 PolarHBondContact O-N 3.26Å; T59-D63 WeakPolarHBondContact O-CB 3.05Å; T59-D63 PolarHBondContact O-N 3.28Å
60	R	38.4	Very low	37.6	Very low	147 Å²	147	103.2 Å²	103.2	56%	0.555	54%	0.536	S	S	*	.	H	α-helix	trans	-67.8	-37.8	176	-71.7	-170.8	-163.9	139.4	15	113.2	D52 Q56 H58 L62 Y64	D52-R60 IonicContact OD1-NH2 3.43Å; D52-R60 PolarHBondContact OD1-NH2 3.36Å; D52-R60 IonicContact OD2-CZ 2.78Å; D52-R60 IonicContact OD2-NH1 2.81Å; D52-R60 PolarHBondContact OD2-NH1 3.49Å; D52-R60 IonicContact OD2-NH2 3.35Å; D52-R60 PolarHBondContact OD2-NH2 3.04Å; Q56-R60 PolarHBondContact O-N 3.41Å; H58-R60 PolarHBondContact O-N 3.36Å; R60-L62 VanDerWaalsContact C-N 3.31Å; R60-Y64 WeakPolarHBondContact O-CB 3.42Å; R60-Y64 PolarHBondContact O-N 2.64Å; R60-Y64 VanDerWaalsContact O-N 3.1Å
61	A	39.1	Very low	37.8	Very low	48 Å²	48	103.6 Å²	103.6	40%	0.397	54%	0.538	S	S	.	.	H	α-helix	trans	-66.2	-36.7	174.3	0	0	0	0	0	111.4	K57 H58 I65	K57-A61 WeakPolarHBondContact O-CB 3.49Å; K57-A61 PolarHBondContact O-N 3.07Å; H58-A61 PolarHBondContact O-N 3.2Å; A61-I65 WeakPolarHBondContact O-CD1 3.38Å; A61-I65 VanDerWaalsContact O-CG1 3.26Å; A61-I65 WeakPolarHBondContact O-CG1 3.44Å; A61-I65 PolarHBondContact O-N 3.01Å; A61-I65 VanDerWaalsContact O-N 3.16Å
62	L	40.7	Very low	37.8	Very low	90 Å²	90	104.6 Å²	104.6	47%	0.471	54%	0.544	S	S	.	.	H	α-helix	trans	-69.8	-45.2	174.6	-72.4	165.1	0	0	0	111.6	H58 T59 R60 Y64 I65 Q66	H58-L62 VanDerWaalsContact O-CB 3.29Å; H58-L62 WeakPolarHBondContact O-CB 3.48Å; H58-L62 WeakPolarHBondContact O-CD1 3.32Å; H58-L62 WeakPolarHBondContact O-CG 3.44Å; H58-L62 PolarHBondContact O-N 3.23Å; T59-L62 PolarHBondContact O-N 3.26Å; R60-L62 VanDerWaalsContact C-N 3.31Å; L62-Y64 PolarHBondContact O-N 2.87Å; L62-I65 CarbonylContact O-C 3.54Å; L62-I65 WeakPolarHBondContact O-CA 3.49Å; L62-I65 PolarHBondContact O-N 3.32Å; L62-Q66 WeakPolarHBondContact O-CB 3.32Å; L62-Q66 VanDerWaalsContact O-CG 3.25Å; L62-Q66 WeakPolarHBondContact O-CG 3.16Å; L62-Q66 PolarHBondContact O-N 2.67Å
63	D	39.5	Very low	37.7	Very low	77 Å²	77	106.8 Å²	106.8	41%	0.412	56%	0.562	S	S	.	*	H	α-helix	trans	-57.9	-35.3	175	-82.6	-17.9	0	0	0	112.1	T59 Q66 N67	T59-D63 WeakPolarHBondContact O-CB 3.05Å; T59-D63 PolarHBondContact O-N 3.28Å; D63-Q66 PolarHBondContact O-N 2.79Å; D63-N67 PolarHBondContact O-N 3.14Å; D63-N67 PolarHBondContact O-ND2 3.47Å
64	Y	43	Very low	37.7	Very low	136 Å²	136	108.5 Å²	108.5	53%	0.533	56%	0.563	S	S	.	*	H	α-helix	trans	-69.4	-39	175.2	-167.5	-105.6	0	0	0	112.2	R60 L62 E108	R60-Y64 WeakPolarHBondContact O-CB 3.42Å; R60-Y64 PolarHBondContact O-N 2.64Å; R60-Y64 VanDerWaalsContact O-N 3.1Å; L62-Y64 PolarHBondContact O-N 2.87Å; Y64-E108 WeakPolarHBondContact CE1-OE1 3.45Å; Y64-E108 PolarHBondContact OH-OE1 3.23Å
65	I	43.1	Very low	37.5	Very low	84 Å²	84	106.9 Å²	106.9	43%	0.431	55%	0.554	S	S	.	*	H	α-helix	trans	-70.6	-34.2	174.6	-66.9	165.4	0	0	0	111.3	A61 L62 M68	A61-I65 WeakPolarHBondContact O-CD1 3.38Å; A61-I65 VanDerWaalsContact O-CG1 3.26Å; A61-I65 WeakPolarHBondContact O-CG1 3.44Å; A61-I65 PolarHBondContact O-N 3.01Å; A61-I65 VanDerWaalsContact O-N 3.16Å; L62-I65 CarbonylContact O-C 3.54Å; L62-I65 WeakPolarHBondContact O-CA 3.49Å; L62-I65 PolarHBondContact O-N 3.32Å; I65-M68 PolarHBondContact O-N 2.86Å
66	Q	42.3	Very low	37.7	Very low	70 Å²	70	103.2 Å²	103.2	33%	0.327	53%	0.534	S	S	.	.	H	α-helix	trans	-72.2	-27.2	179.6	-71.3	-170.1	-53.6	0	0	113.3	L62 D63 M603	L62-Q66 WeakPolarHBondContact O-CB 3.32Å; L62-Q66 VanDerWaalsContact O-CG 3.25Å; L62-Q66 WeakPolarHBondContact O-CG 3.16Å; L62-Q66 PolarHBondContact O-N 2.67Å; D63-Q66 PolarHBondContact O-N 2.79Å; Q66-M603 HydrophobicContact CB-CE 4.03Å; Q66-M603 HydrophobicContact CG-CE 3.5Å; Q66-M603 VanDerWaalsContact CG-CE 3.5Å; Q66-M603 HydrophobicContact CG-CG 3.87Å; Q66-M603 HydrophobicContact CG-SD 3.79Å
67	N	39.9	Very low	37.6	Very low	141 Å²	141	107.2 Å²	107.2	75%	0.754	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	0.4	178.5	-74.7	-41.4	0	0	0	114.1	D63	D63-N67 PolarHBondContact O-N 3.14Å; D63-N67 PolarHBondContact O-ND2 3.47Å
68	M	39.2	Very low	37.5	Very low	59 Å²	59	103.8 Å²	103.8	29%	0.291	54%	0.541	S	S	.	.	S	Bend	trans	-84.1	113.4	170.7	-79	176.1	54.6	0	0	109.9	I65 L70 Y74	I65-M68 PolarHBondContact O-N 2.86Å; M68-L70 PolarHBondContact O-N 3.14Å; M68-Y74 HydrophobicContact CE-CD1 4.43Å; M68-Y74 HydrophobicContact CE-CD2 3.25Å; M68-Y74 HydrophobicContact CE-CE1 4.42Å; M68-Y74 HydrophobicContact CE-CE2 3.24Å; M68-Y74 HydrophobicContact CE-CG 3.87Å; M68-Y74 HydrophobicContact SD-CE2 4.35Å
69	S	37.5	Very low	37.2	Very low	107 Å²	107	105.9 Å²	105.9	75%	0.748	56%	0.556	S	S	*	*			trans	-51.8	135	177.3	59.5	0	0	0	0	111.9	D71	S69-D71 VanDerWaalsContact C-N 3.27Å; S69-D71 PolarHBondContact O-N 2.79Å
70	L	32.3	Very low	36.9	Very low	184 Å²	184	112.2 Å²	112.2	96%	0.963	58%	0.577	S	S	*	*			trans	-62	83.9	171	-74.5	147.3	0	0	0	109.8	M68	M68-L70 PolarHBondContact O-N 3.14Å
71	D	32.7	Very low	36.6	Very low	127 Å²	127	113.3 Å²	113.3	68%	0.679	59%	0.588	S	S	*	*			trans	-124.6	129.5	162.3	-138.6	-9.5	0	0	0	107.8	S69 S73	S69-D71 VanDerWaalsContact C-N 3.27Å; S69-D71 PolarHBondContact O-N 2.79Å; D71-S73 PolarHBondContact O-N 3.14Å
72	D	32.2	Very low	36.3	Very low	176 Å²	176	117.3 Å²	117.3	94%	0.941	60%	0.603	S	S	*	*	S	Bend	trans	-70.8	21	-161.6	-89.9	-32.1	0	0	0	115.3
73	S	31.9	Very low	35.6	Very low	85 Å²	85	124.1 Å²	124.1	59%	0.594	62%	0.622	S	S	*	*			trans	-148.8	93.3	173.6	63.8	0	0	0	0	110.7	D71 S75	D71-S73 PolarHBondContact O-N 3.14Å; S73-S75 PolarHBondContact O-N 2.87Å; S73-S75 VanDerWaalsContact O-N 3.08Å
74	Y	37.5	Very low	35.1	Very low	120 Å²	120	131.4 Å²	131.4	47%	0.471	65%	0.646	S	S	.	*			trans	-82.1	70	154.1	-154.5	-100.8	0	0	0	107.7	M68 I76	M68-Y74 HydrophobicContact CE-CD1 4.43Å; M68-Y74 HydrophobicContact CE-CD2 3.25Å; M68-Y74 HydrophobicContact CE-CE1 4.42Å; M68-Y74 HydrophobicContact CE-CE2 3.24Å; M68-Y74 HydrophobicContact CE-CG 3.87Å; M68-Y74 HydrophobicContact SD-CE2 4.35Å; Y74-I76 HydrophobicContact CD1-CG1 4.25Å; Y74-I76 HydrophobicContact CE1-CG1 3.98Å; Y74-I76 PolarHBondContact O-N 2.78Å
75	S	31.6	Very low	34.4	Very low	74 Å²	74	131.9 Å²	131.9	52%	0.517	66%	0.658	S	S	.	*			trans	-62	120	145.8	47.4	0	0	0	0	104.6	S73 E77	S73-S75 PolarHBondContact O-N 2.87Å; S73-S75 VanDerWaalsContact O-N 3.08Å; S75-E77 VanDerWaalsContact C-N 3.29Å; S75-E77 PolarHBondContact O-N 2.82Å
76	I	38.9	Very low	33.8	Very low	46 Å²	46	131.5 Å²	131.5	24%	0.236	68%	0.675	C	S	.	*			trans	-52.9	111.8	155.5	-62.7	172.2	0	0	0	103	Y74 L78 I92	Y74-I76 HydrophobicContact CD1-CG1 4.25Å; Y74-I76 HydrophobicContact CE1-CG1 3.98Å; Y74-I76 PolarHBondContact O-N 2.78Å; I76-L78 PolarHBondContact O-N 2.96Å; I76-I92 HydrophobicContact CD1-CD1 4.46Å
77	E	33.5	Very low	33.6	Very low	175 Å²	175	135 Å²	135	82%	0.818	69%	0.691	S	S	*	*			trans	-62.7	84.8	166.5	-82	-168.4	150.4	0	0	105	S75 N79	S75-E77 VanDerWaalsContact C-N 3.29Å; S75-E77 PolarHBondContact O-N 2.82Å; E77-N79 PolarHBondContact O-N 2.83Å
78	L	36.7	Very low	33.9	Very low	63 Å²	63	133 Å²	133	33%	0.33	68%	0.684	S	S	.	*			trans	-51.7	111.1	163.8	-76.2	163.2	0	0	0	103.8	I76 K80 E129	I76-L78 PolarHBondContact O-N 2.96Å; L78-K80 PolarHBondContact O-N 3.18Å; L78-E129 HydrophobicContact CD2-CB 4Å
79	N	33.1	Very low	34.5	Very low	145 Å²	145	136.1 Å²	136.1	78%	0.775	70%	0.698	S	S	*	*			trans	-41.9	116.4	-178	-94.1	-34	0	0	0	108.5	E77 H81	E77-N79 PolarHBondContact O-N 2.83Å; N79-H81 PolarHBondContact O-N 3.48Å
80	K	32.1	Very low	35.6	Very low	203 Å²	203	131.4 Å²	131.4	88%	0.883	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	30.9	-180	-121.6	176.3	-174.6	171.4	0	111.9	L78	L78-K80 PolarHBondContact O-N 3.18Å
81	H	32.6	Very low	37	Very low	170 Å²	170	127.9 Å²	127.9	79%	0.787	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.9	-4.3	-176.5	-90.5	16.5	0	0	0	115.4	N79 R83	N79-H81 PolarHBondContact O-N 3.48Å; H81-R83 PolarHBondContact O-N 3.3Å; H81-R83 VanDerWaalsContact O-N 3.09Å
82	D	31.6	Very low	38.4	Very low	132 Å²	132	123.5 Å²	123.5	71%	0.706	62%	0.623	S	S	*	*			trans	-90	65.7	165.9	-67.3	-26	0	0	0	110.5	Y84	D82-Y84 VanDerWaalsContact C-N 3.33Å; D82-Y84 PolarHBondContact O-N 2.89Å
83	R	25.6	Very low	39.8	Very low	232 Å²	232	120.5 Å²	120.5	88%	0.875	60%	0.603	S	S	*	*			trans	-80	82.8	160.1	-117.7	-170	-161.3	175.3	5.9	106.4	H81	H81-R83 PolarHBondContact O-N 3.3Å; H81-R83 VanDerWaalsContact O-N 3.09Å
84	Y	29	Very low	41	Very low	231 Å²	231	123 Å²	123	91%	0.906	60%	0.599	S	S	*	*	S	Bend	trans	-176	126.7	151.8	-101.6	-74.9	0	0	0	108.6	D82	D82-Y84 VanDerWaalsContact C-N 3.33Å; D82-Y84 PolarHBondContact O-N 2.89Å
85	D	28.9	Very low	41.8	Very low	146 Å²	146	123.8 Å²	123.8	78%	0.781	61%	0.606	S	S	*	*	S	Bend	trans	86.9	127	176.7	-150.1	7.3	0	0	0	118.4	Q87	D85-Q87 VanDerWaalsContact C-N 3.31Å; D85-Q87 PolarHBondContact O-N 2.9Å
86	G	30.9	Very low	43.1	Very low	76 Å²	76	123.5 Å²	123.5	78%	0.784	60%	0.598	S	S	*	*	S	Bend	trans	-80.9	45.5	-158.2	0	0	0	0	0	116.3
87	Q	38.8	Very low	44.2	Very low	144 Å²	144	122.8 Å²	122.8	67%	0.673	60%	0.595	S	S	*	*			trans	-146.4	44.5	-175	-79.9	-170.5	2.5	0	0	114.9	D85 R149	D85-Q87 VanDerWaalsContact C-N 3.31Å; D85-Q87 PolarHBondContact O-N 2.9Å; Q87-R149 PolarHBondContact O-NH1 2.88Å; Q87-R149 PolarHBondContact O-NH2 2.97Å
88	T	45.8	Very low	45.4	Very low	98 Å²	98	117.3 Å²	117.3	60%	0.601	57%	0.573	S	S	*	*			trans	-141.9	91.2	-173.9	34.2	0	0	0	0	114.6
89	Q	50.8	Low	46.2	Very low	125 Å²	125	115.5 Å²	115.5	58%	0.584	57%	0.569	S	S	*	*			trans	-144.4	98	162.9	-161.5	165.8	-3	0	0	108.1	D91	Q89-D91 PolarHBondContact NE2-OD2 3.42Å
90	C	61.8	Low	47.5	Very low	8 Å²	8	112.4 Å²	112.4	5%	0.054	55%	0.547	C	S	.	.			trans	-94.6	74.6	171.8	-94.9	0	0	0	0	108.7	C130 M146	C90-C130 HydrophobicContact CB-CB 3.72Å; C90-C130 WeakPolarHBondContact CB-SG 3.44Å; C90-C130 WeakPolarHBondContact SG-CA 3.47Å; C90-C130 WeakPolarHBondContact SG-CB 3.25Å; C90-C130 CovalentContact SG-SG 2.03Å; C90-C130 PolarHBondContact SG-SG 2.76Å; C90-M146 HydrophobicContact CB-CE 3.87Å; C90-M146 HydrophobicContact CB-SD 4.42Å; C90-M146 WeakPolarHBondContact SG-CE 3.46Å; C90-M146 PolarHBondContact SG-SD 2.8Å
91	D	61.5	Low	48.6	Very low	109 Å²	109	106.5 Å²	106.5	58%	0.583	53%	0.53	S	S	*	.			trans	-86	115.8	174.5	-79.6	-18.9	0	0	0	109.9	Q89	Q89-D91 PolarHBondContact NE2-OD2 3.42Å
92	I	61.6	Low	50.1	Low	36 Å²	36	103.1 Å²	103.1	19%	0.185	52%	0.515	C	S	.	.			trans	-113.3	123.8	178.7	-57	145.7	0	0	0	107.5	I76 L97 F133	I76-I92 HydrophobicContact CD1-CD1 4.46Å; I92-L97 HydrophobicContact CG2-CD1 4.21Å; I92-L97 HydrophobicContact CG2-CD2 3.96Å; I92-L97 HydrophobicContact CG2-CG 3.82Å; I92-F133 HydrophobicContact CB-CZ 4.45Å; I92-F133 HydrophobicContact CD1-CB 4.44Å; I92-F133 HydrophobicContact CD1-CD1 3.93Å; I92-F133 HydrophobicContact CD1-CD2 3.22Å; I92-F133 HydrophobicContact CD1-CE1 3.93Å; I92-F133 HydrophobicContact CD1-CE2 3.21Å; I92-F133 HydrophobicContact CD1-CG 3.59Å; I92-F133 HydrophobicContact CD1-CZ 3.57Å; I92-F133 HydrophobicContact CG1-CD1 4.23Å; I92-F133 HydrophobicContact CG1-CD2 4.15Å; I92-F133 HydrophobicContact CG1-CE1 3.83Å; I92-F133 HydrophobicContact CG1-CE2 3.73Å; I92-F133 HydrophobicContact CG1-CG 4.38Å; I92-F133 HydrophobicContact CG1-CZ 3.54Å; I92-F133 HydrophobicContact CG2-CE2 4.16Å; I92-F133 HydrophobicContact CG2-CZ 4.03Å
93	Q	61.6	Low	52.2	Low	113 Å²	113	96.8 Å²	96.8	53%	0.528	48%	0.481	S	S	.	.			trans	-80.6	137.7	175.3	-55.7	-161.6	-6.6	0	0	109.7	K95 D96	Q93-K95 HydrophobicContact CB-CD 4.22Å; Q93-K95 HydrophobicContact CB-CG 3.94Å; Q93-K95 PolarHBondContact O-N 3.07Å; Q93-K95 VanDerWaalsContact O-N 3.08Å; Q93-D96 WeakPolarHBondContact CB-OD2 3.22Å; Q93-D96 PolarHBondContact N-OD2 3.16Å; Q93-D96 WeakPolarHBondContact O-CB 3.16Å; Q93-D96 PolarHBondContact O-N 3.02Å
94	R	56.9	Low	54.6	Low	136 Å²	136	89.6 Å²	89.6	51%	0.513	46%	0.459	S	S	.	.	H	α-helix	trans	-56.3	-30.4	-179.5	-160.3	175.4	-161.9	150.2	3.5	113	D96 L97 T98	R94-D96 PolarHBondContact O-N 3.19Å; R94-L97 PolarHBondContact O-N 3.47Å; R94-T98 PolarHBondContact O-N 3.01Å; R94-T98 PolarHBondContact O-OG1 2.86Å
95	K	54.1	Low	56.7	Low	138 Å²	138	81.7 Å²	81.7	60%	0.6	44%	0.438	S	S	*	.	H	α-helix	trans	-58.2	-35.1	174	77.8	-170.3	-172.5	-168.5	0	112.2	Q93 T98	Q93-K95 HydrophobicContact CB-CD 4.22Å; Q93-K95 HydrophobicContact CB-CG 3.94Å; Q93-K95 PolarHBondContact O-N 3.07Å; Q93-K95 VanDerWaalsContact O-N 3.08Å; K95-T98 WeakPolarHBondContact O-CB 3.38Å; K95-T98 PolarHBondContact O-N 2.86Å; K95-T98 PolarHBondContact O-OG1 3.47Å
96	D	59.4	Low	59.1	Low	68 Å²	68	76.5 Å²	76.5	36%	0.364	41%	0.408	S	S	.	.	H	α-helix	trans	-75.5	-32.9	-177	-52.7	-35.1	0	0	0	110.3	Q93 R94 T98 G99 Y100 P144	Q93-D96 WeakPolarHBondContact CB-OD2 3.22Å; Q93-D96 PolarHBondContact N-OD2 3.16Å; Q93-D96 WeakPolarHBondContact O-CB 3.16Å; Q93-D96 PolarHBondContact O-N 3.02Å; R94-D96 PolarHBondContact O-N 3.19Å; D96-T98 VanDerWaalsContact C-N 3.27Å; D96-T98 PolarHBondContact O-N 2.89Å; D96-G99 PolarHBondContact O-N 3.01Å; D96-Y100 WeakPolarHBondContact O-CD2 3.34Å; D96-P144 HydrophobicContact CB-CB 4.2Å; D96-P144 HydrophobicContact CB-CG 4.01Å; D96-P144 WeakPolarHBondContact O-CG 3.41Å
97	L	63.1	Low	61.6	Low	31 Å²	31	73.1 Å²	73.1	16%	0.162	37%	0.372	C	S	.	.	H	α-helix	trans	-68.8	-20.5	176.5	-67.3	172.6	0	0	0	113.8	I92 R94 G99 Y100 C103 L104 F133 P144	I92-L97 HydrophobicContact CG2-CD1 4.21Å; I92-L97 HydrophobicContact CG2-CD2 3.96Å; I92-L97 HydrophobicContact CG2-CG 3.82Å; R94-L97 PolarHBondContact O-N 3.47Å; L97-G99 PolarHBondContact O-N 3.43Å; L97-Y100 CarbonylContact O-C 3.6Å; L97-Y100 PolarHBondContact O-N 3.3Å; L97-C103 HydrophobicContact CD2-CB 4.04Å; L97-C103 WeakPolarHBondContact CD2-SG 3.4Å; L97-L104 HydrophobicContact CD1-CD2 4.15Å; L97-F133 HydrophobicContact CD2-CE2 4.34Å; L97-P144 HydrophobicContact CD2-CG 4.22Å
98	T	58.5	Low	63.7	Low	60 Å²	60	68.9 Å²	68.9	37%	0.368	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-27	177.3	-34.5	0	0	0	0	112	R94 K95 D96	R94-T98 PolarHBondContact O-N 3.01Å; R94-T98 PolarHBondContact O-OG1 2.86Å; K95-T98 WeakPolarHBondContact O-CB 3.38Å; K95-T98 PolarHBondContact O-N 2.86Å; K95-T98 PolarHBondContact O-OG1 3.47Å; D96-T98 VanDerWaalsContact C-N 3.27Å; D96-T98 PolarHBondContact O-N 2.89Å
99	G	53	Low	65.4	Low	24 Å²	24	70 Å²	70	25%	0.247	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-7.5	176.5	0	0	0	0	0	115.7	D96 L97 K596	D96-G99 PolarHBondContact O-N 3.01Å; L97-G99 PolarHBondContact O-N 3.43Å; G99-K596 WeakPolarHBondContact O-CE 3.4Å; G99-K596 PolarHBondContact O-NZ 3.33Å
100	Y	59.4	Low	67.1	Low	80 Å²	80	64 Å²	64	31%	0.314	32%	0.318	S	S	.	.			trans	-139.5	71.7	-164.1	-66.4	-92.5	0	0	0	111.3	D96 L97 E102 C103 F142 C143 P144	D96-Y100 WeakPolarHBondContact O-CD2 3.34Å; L97-Y100 CarbonylContact O-C 3.6Å; L97-Y100 PolarHBondContact O-N 3.3Å; Y100-E102 PolarHBondContact O-N 3.17Å; Y100-C103 WeakPolarHBondContact O-CB 3.42Å; Y100-C103 PolarHBondContact O-N 3.4Å; Y100-F142 WeakPolarHBondContact CB-O 3.26Å; Y100-F142 WeakPolarHBondContact CD1-O 3.31Å; Y100-C143 VanDerWaalsContact CE1-O 3.23Å; Y100-C143 WeakPolarHBondContact CE1-O 3.43Å; Y100-P144 HydrophobicContact CD2-CB 4.02Å; Y100-P144 VanDerWaalsContact CD2-CD 3.49Å; Y100-P144 HydrophobicContact CD2-CG 3.42Å; Y100-P144 VanDerWaalsContact CD2-CG 3.42Å; Y100-P144 VanDerWaalsContact CE2-CA 3.48Å; Y100-P144 HydrophobicContact CE2-CB 3.71Å; Y100-P144 HydrophobicContact CE2-CG 3.67Å; Y100-P144 HydrophobicContact CG-CG 4.08Å
101	P	56.3	Low	68.3	Low	80 Å²	80	68.4 Å²	68.4	52%	0.519	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.3	-170	25.8	-34.9	0	0	0	113.7
102	E	63.5	Low	69.5	Low	98 Å²	98	73.7 Å²	73.7	46%	0.458	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-13.7	178.1	-64.3	-171.7	-163.6	0	0	113.4	Y100 L104 S105 K106 F142	Y100-E102 PolarHBondContact O-N 3.17Å; E102-L104 PolarHBondContact O-N 3.25Å; E102-S105 PolarHBondContact O-N 3.29Å; E102-S105 PolarHBondContact O-OG 3.27Å; E102-K106 HydrophobicContact CB-CD 4.22Å; E102-K106 WeakPolarHBondContact O-CB 3.31Å; E102-K106 PolarHBondContact O-N 3.15Å; E102-F142 HydrophobicContact CB-CD1 4.05Å; E102-F142 WeakPolarHBondContact OE2-CD1 3.48Å; E102-F142 WeakPolarHBondContact OE2-CE1 3.34Å
103	C	74.9	Confident	70.7	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-51.2	-55.5	-173.2	-179.6	0	0	0	0	111.5	L97 Y100 S105 K106 I107 F142 C143	L97-C103 HydrophobicContact CD2-CB 4.04Å; L97-C103 WeakPolarHBondContact CD2-SG 3.4Å; Y100-C103 WeakPolarHBondContact O-CB 3.42Å; Y100-C103 PolarHBondContact O-N 3.4Å; C103-S105 PolarHBondContact O-N 2.83Å; C103-K106 PolarHBondContact O-N 3.44Å; C103-I107 VanDerWaalsContact O-CG1 3.24Å; C103-I107 WeakPolarHBondContact O-CG1 3.29Å; C103-I107 PolarHBondContact O-N 2.66Å; C103-F142 VanDerWaalsContact CA-O 3.24Å; C103-F142 WeakPolarHBondContact CA-O 3.15Å; C103-F142 WeakPolarHBondContact CB-O 3.42Å; C103-F142 PolarHBondContact N-O 2.88Å; C103-C143 WeakPolarHBondContact CA-SG 3.47Å; C103-C143 HydrophobicContact CB-CB 4.05Å; C103-C143 WeakPolarHBondContact CB-SG 3.49Å; C103-C143 WeakPolarHBondContact SG-CB 3.46Å; C103-C143 CovalentContact SG-SG 2.04Å; C103-C143 PolarHBondContact SG-SG 3.5Å
104	L	77.9	Confident	71.9	Confident	81 Å²	81	69.4 Å²	69.4	42%	0.424	32%	0.323	S	S	.	.	H	α-helix	trans	-62.2	-45.2	-178	-66.2	175.7	0	0	0	112.3	L97 E102 K106 I107 E108	L97-L104 HydrophobicContact CD1-CD2 4.15Å; E102-L104 PolarHBondContact O-N 3.25Å; L104-K106 VanDerWaalsContact C-N 3.26Å; L104-K106 PolarHBondContact O-N 2.92Å; L104-I107 HydrophobicContact CD2-CD1 4.44Å; L104-I107 PolarHBondContact O-N 2.97Å; L104-E108 WeakPolarHBondContact O-CG 3.45Å; L104-E108 PolarHBondContact O-N 3.24Å
105	S	73.2	Confident	73.3	Confident	65 Å²	65	70.2 Å²	70.2	46%	0.455	33%	0.333	S	S	.	.	H	α-helix	trans	-63.3	-33.9	179.1	70.4	0	0	0	0	112.6	E102 C103 W109	E102-S105 PolarHBondContact O-N 3.29Å; E102-S105 PolarHBondContact O-OG 3.27Å; C103-S105 PolarHBondContact O-N 2.83Å; S105-W109 WeakPolarHBondContact O-CB 3.48Å; S105-W109 PolarHBondContact O-N 2.79Å
106	K	78.4	Confident	74.6	Confident	37 Å²	37	67.6 Å²	67.6	16%	0.161	33%	0.329	C	S	.	.	H	α-helix	trans	-79.5	-34.1	177.8	-82.1	177.5	154.6	-88.1	0	113	E102 C103 L104 E108 W109 L110 L136 E140 F142	E102-K106 HydrophobicContact CB-CD 4.22Å; E102-K106 WeakPolarHBondContact O-CB 3.31Å; E102-K106 PolarHBondContact O-N 3.15Å; C103-K106 PolarHBondContact O-N 3.44Å; L104-K106 VanDerWaalsContact C-N 3.26Å; L104-K106 PolarHBondContact O-N 2.92Å; K106-E108 VanDerWaalsContact C-N 3.31Å; K106-W109 PolarHBondContact O-N 3.37Å; K106-L110 WeakPolarHBondContact O-CB 3.37Å; K106-L110 PolarHBondContact O-N 3.11Å; K106-L136 HydrophobicContact CB-CD1 3.78Å; K106-L136 HydrophobicContact CB-CD2 3.78Å; K106-L136 HydrophobicContact CB-CG 4.44Å; K106-L136 HydrophobicContact CD-CD2 4.24Å; K106-E140 IonicContact NZ-OE2 2.65Å; K106-E140 PolarHBondContact NZ-OE2 3.3Å; K106-F142 HydrophobicContact CD-CB 3.5Å; K106-F142 HydrophobicContact CD-CD1 3.49Å; K106-F142 VanDerWaalsContact CD-CD1 3.49Å; K106-F142 HydrophobicContact CD-CD2 3.25Å; K106-F142 HydrophobicContact CD-CE1 3.98Å; K106-F142 HydrophobicContact CD-CE2 3.81Å; K106-F142 HydrophobicContact CD-CG 3.1Å; K106-F142 HydrophobicContact CD-CZ 4.14Å; K106-F142 VanDerWaalsContact CE-CD1 3.49Å; K106-F142 VanDerWaalsContact CE-CE1 3.4Å; K106-F142 VanDerWaalsContact CE-CG 3.42Å
107	I	83.2	Confident	75.7	Confident	5 Å²	5	67.4 Å²	67.4	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-57.6	-50.9	168.3	-69.2	165.6	0	0	0	108.3	C103 L104 W109 L110 R111 I132 F133 L136	C103-I107 VanDerWaalsContact O-CG1 3.24Å; C103-I107 WeakPolarHBondContact O-CG1 3.29Å; C103-I107 PolarHBondContact O-N 2.66Å; L104-I107 HydrophobicContact CD2-CD1 4.44Å; L104-I107 PolarHBondContact O-N 2.97Å; I107-W109 VanDerWaalsContact C-N 3.3Å; I107-W109 PolarHBondContact O-N 3.22Å; I107-L110 PolarHBondContact O-N 3.01Å; I107-R111 HydrophobicContact CG2-CG 4.43Å; I107-R111 VanDerWaalsContact O-CG 3.28Å; I107-R111 WeakPolarHBondContact O-CG 3.49Å; I107-R111 PolarHBondContact O-N 3.17Å; I107-I132 HydrophobicContact CB-CG2 4.27Å; I107-I132 HydrophobicContact CG1-CG2 4.24Å; I107-I132 HydrophobicContact CG2-CG2 4.14Å; I107-F133 HydrophobicContact CD1-CD2 3.84Å; I107-L136 HydrophobicContact CB-CD1 4.22Å; I107-L136 HydrophobicContact CG1-CD1 3.51Å; I107-L136 VanDerWaalsContact N-CD1 3.34Å
108	E	83.3	Confident	76.5	Confident	55 Å²	55	70 Å²	70	26%	0.257	35%	0.346	S	S	.	.	H	α-helix	trans	-60.3	-37.5	177.8	-73.5	-173.8	167.1	0	0	113.5	Y64 L104 K106	Y64-E108 WeakPolarHBondContact CE1-OE1 3.45Å; Y64-E108 PolarHBondContact OH-OE1 3.23Å; L104-E108 WeakPolarHBondContact O-CG 3.45Å; L104-E108 PolarHBondContact O-N 3.24Å; K106-E108 VanDerWaalsContact C-N 3.31Å
109	W	81.2	Confident	77.4	Confident	120 Å²	120	67.2 Å²	67.2	46%	0.455	33%	0.329	S	S	.	.	H	α-helix	trans	-64.8	-53.9	174.9	-175.9	82.3	0	0	0	111	S105 K106 I107 R111 R112 S113 Y120	S105-W109 WeakPolarHBondContact O-CB 3.48Å; S105-W109 PolarHBondContact O-N 2.79Å; K106-W109 PolarHBondContact O-N 3.37Å; I107-W109 VanDerWaalsContact C-N 3.3Å; I107-W109 PolarHBondContact O-N 3.22Å; W109-R111 VanDerWaalsContact C-N 3.31Å; W109-R111 PolarHBondContact O-N 3.08Å; W109-R112 PolarHBondContact O-N 3.07Å; W109-S113 VanDerWaalsContact CE2-OG 3.28Å; W109-S113 VanDerWaalsContact CH2-OG 3.29Å; W109-S113 WeakPolarHBondContact CH2-OG 3.36Å; W109-S113 WeakPolarHBondContact CZ2-OG 3.49Å; W109-S113 WeakPolarHBondContact CZ3-OG 3.19Å; W109-S113 WeakPolarHBondContact O-CB 3.48Å; W109-S113 PolarHBondContact O-N 2.95Å; W109-S113 PolarHBondContact O-OG 2.95Å; W109-Y120 HydrophobicContact CH2-CE2 4.5Å; W109-Y120 VanDerWaalsContact CH2-OH 3.26Å; W109-Y120 WeakPolarHBondContact CH2-OH 3.47Å; W109-Y120 AromaticContact CZ3-CZ 3.97Å; W109-Y120 VanDerWaalsContact CZ3-OH 3.3Å; W109-Y120 WeakPolarHBondContact CZ3-OH 3.3Å
110	L	85.7	Confident	78.7	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-62.2	-34.9	-179.7	-84	175.3	0	0	0	113	K106 I107 R112 S113 W114 Y120 I132 Y135 L136	K106-L110 WeakPolarHBondContact O-CB 3.37Å; K106-L110 PolarHBondContact O-N 3.11Å; I107-L110 PolarHBondContact O-N 3.01Å; L110-R112 PolarHBondContact O-N 3.22Å; L110-R112 VanDerWaalsContact O-N 3.07Å; L110-S113 PolarHBondContact O-N 3.4Å; L110-S113 VanDerWaalsContact O-N 3.16Å; L110-W114 HydrophobicContact CD2-CB 4.2Å; L110-W114 VanDerWaalsContact O-CB 3.28Å; L110-W114 WeakPolarHBondContact O-CB 3.48Å; L110-W114 PolarHBondContact O-N 2.98Å; L110-Y120 HydrophobicContact CD2-CD1 3.81Å; L110-Y120 HydrophobicContact CD2-CE1 3.52Å; L110-Y120 HydrophobicContact CD2-CE2 4.5Å; L110-Y120 HydrophobicContact CD2-CG 4.42Å; L110-I132 HydrophobicContact CB-CD1 4.45Å; L110-I132 HydrophobicContact CB-CG1 4.25Å; L110-I132 HydrophobicContact CB-CG2 3.65Å; L110-I132 HydrophobicContact CD1-CG2 3.94Å; L110-I132 HydrophobicContact CG-CG2 4.46Å; L110-Y135 HydrophobicContact CD1-CD1 3.4Å; L110-Y135 VanDerWaalsContact CD1-CD1 3.4Å; L110-Y135 HydrophobicContact CD1-CE1 3.76Å; L110-Y135 HydrophobicContact CD2-CE1 4.48Å; L110-L136 HydrophobicContact CD1-CD1 3.91Å; L110-L136 HydrophobicContact CD1-CD2 3.58Å; L110-L136 HydrophobicContact CD1-CG 3.58Å
111	R	87.8	Confident	79.8	Confident	100 Å²	100	65 Å²	65	38%	0.377	33%	0.325	S	S	.	.	H	α-helix	trans	-49.8	-36.1	171.3	-78.8	176	-172.6	168.7	-4.4	112.1	I107 W109 E129 I132	I107-R111 HydrophobicContact CG2-CG 4.43Å; I107-R111 VanDerWaalsContact O-CG 3.28Å; I107-R111 WeakPolarHBondContact O-CG 3.49Å; I107-R111 PolarHBondContact O-N 3.17Å; W109-R111 VanDerWaalsContact C-N 3.31Å; W109-R111 PolarHBondContact O-N 3.08Å; R111-E129 WeakPolarHBondContact CD-OE1 3.35Å; R111-E129 WeakPolarHBondContact CG-OE1 3.08Å; R111-E129 IonicContact CZ-OE1 3.36Å; R111-E129 IonicContact CZ-OE2 3.38Å; R111-E129 VanDerWaalsContact NE-CD 3.33Å; R111-E129 IonicContact NE-OE1 3.01Å; R111-E129 PolarHBondContact NE-OE1 3.15Å; R111-E129 IonicContact NE-OE2 2.64Å; R111-E129 PolarHBondContact NE-OE2 3.28Å; R111-E129 VanDerWaalsContact NH2-CD 3.27Å; R111-E129 IonicContact NH2-OE1 2.83Å; R111-E129 PolarHBondContact NH2-OE1 3.25Å; R111-E129 IonicContact NH2-OE2 3.4Å; R111-E129 PolarHBondContact NH2-OE2 3.02Å; R111-I132 HydrophobicContact CB-CD1 4.45Å; R111-I132 HydrophobicContact CG-CD1 3.91Å
112	R	87	Confident	80.7	Confident	220 Å²	220	68 Å²	68	83%	0.83	33%	0.332	S	S	*	.	H	α-helix	trans	-100	-18.7	-177.1	-59.4	179.2	-172.9	167.5	5.7	113.7	W109 L110	W109-R112 PolarHBondContact O-N 3.07Å; L110-R112 PolarHBondContact O-N 3.22Å; L110-R112 VanDerWaalsContact O-N 3.07Å
113	S	86.8	Confident	81.2	Confident	11 Å²	11	66.7 Å²	66.7	8%	0.077	33%	0.328	C	S	.	.	H	α-helix	trans	-124.8	-3.7	-167.3	70.6	0	0	0	0	115.1	W109 L110 Q115 T116	W109-S113 VanDerWaalsContact CE2-OG 3.28Å; W109-S113 VanDerWaalsContact CH2-OG 3.29Å; W109-S113 WeakPolarHBondContact CH2-OG 3.36Å; W109-S113 WeakPolarHBondContact CZ2-OG 3.49Å; W109-S113 WeakPolarHBondContact CZ3-OG 3.19Å; W109-S113 WeakPolarHBondContact O-CB 3.48Å; W109-S113 PolarHBondContact O-N 2.95Å; W109-S113 PolarHBondContact O-OG 2.95Å; L110-S113 PolarHBondContact O-N 3.4Å; L110-S113 VanDerWaalsContact O-N 3.16Å; S113-Q115 PolarHBondContact O-N 3.05Å; S113-Q115 VanDerWaalsContact O-N 3.13Å; S113-T116 VanDerWaalsContact O-CB 3.22Å; S113-T116 WeakPolarHBondContact O-CB 3.12Å; S113-T116 WeakPolarHBondContact O-CG2 3.36Å; S113-T116 PolarHBondContact O-N 3.29Å; S113-T116 PolarHBondContact O-OG1 3.39Å
114	W	85.6	Confident	81.3	Confident	47 Å²	47	69.1 Å²	69.1	18%	0.178	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-60	-29.2	-175.4	75.9	-90.2	0	0	0	113.1	L110 T116 Y120 A121 V125 D126 G127	L110-W114 HydrophobicContact CD2-CB 4.2Å; L110-W114 VanDerWaalsContact O-CB 3.28Å; L110-W114 WeakPolarHBondContact O-CB 3.48Å; L110-W114 PolarHBondContact O-N 2.98Å; W114-T116 PolarHBondContact O-N 2.76Å; W114-Y120 VanDerWaalsContact O-CB 3.26Å; W114-Y120 WeakPolarHBondContact O-CB 3.39Å; W114-Y120 WeakPolarHBondContact O-CD2 3.22Å; W114-A121 HydrophobicContact CZ3-CB 4.12Å; W114-V125 HydrophobicContact CB-CG1 3.76Å; W114-V125 HydrophobicContact CD2-CG1 4.15Å; W114-V125 HydrophobicContact CE3-CB 4.49Å; W114-V125 HydrophobicContact CE3-CG1 4.14Å; W114-V125 HydrophobicContact CG-CG1 4.03Å; W114-V125 WeakPolarHBondContact CZ3-O 3.36Å; W114-D126 WeakPolarHBondContact CZ2-O 3.38Å; W114-G127 VanDerWaalsContact CE2-CA 3.46Å
115	Q	86.9	Confident	81.6	Confident	154 Å²	154	65.3 Å²	65.3	72%	0.72	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-78	-4.9	177	-60.9	-176.9	-9.4	0	0	113.8	S113 H117	S113-Q115 PolarHBondContact O-N 3.05Å; S113-Q115 VanDerWaalsContact O-N 3.13Å; Q115-H117 PolarHBondContact O-N 2.84Å
116	T	82.7	Confident	82.2	Confident	82 Å²	82	67.1 Å²	67.1	50%	0.503	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-67.6	-24.6	-176.3	58.5	0	0	0	0	113.1	S113 W114	S113-T116 VanDerWaalsContact O-CB 3.22Å; S113-T116 WeakPolarHBondContact O-CB 3.12Å; S113-T116 WeakPolarHBondContact O-CG2 3.36Å; S113-T116 PolarHBondContact O-N 3.29Å; S113-T116 PolarHBondContact O-OG1 3.39Å; W114-T116 PolarHBondContact O-N 2.76Å
117	H	81.1	Confident	82.4	Confident	64 Å²	64	66.8 Å²	66.8	30%	0.296	34%	0.344	S	S	.	.	S	Bend	trans	-140.9	130.4	179.9	-59.8	77.9	0	0	0	109.8	Q115 C119 Y120 I315 P316	Q115-H117 PolarHBondContact O-N 2.84Å; H117-C119 WeakPolarHBondContact CB-SG 3.49Å; H117-C119 PolarHBondContact O-N 3.3Å; H117-C119 VanDerWaalsContact O-N 3.11Å; H117-Y120 HydrophobicContact CB-CD2 4.02Å; H117-Y120 HydrophobicContact CB-CE2 4.06Å; H117-Y120 WeakPolarHBondContact O-CD2 3.25Å; H117-Y120 PolarHBondContact O-N 2.78Å; H117-Y120 VanDerWaalsContact O-N 3.15Å; H117-I315 HydrophobicContact CB-CG2 4.22Å; H117-P316 WeakPolarHBondContact CD2-CD 3.41Å; H117-P316 WeakPolarHBondContact CE1-CD 3.48Å; H117-P316 WeakPolarHBondContact CE1-CG 3.42Å; H117-P316 WeakPolarHBondContact NE2-CD 3.49Å
118	S	80.1	Confident	82.5	Confident	85 Å²	85	68.3 Å²	68.3	59%	0.594	36%	0.355	S	S	*	.	H	α-helix	trans	-55.3	-34.5	-174	62.7	0	0	0	0	113.4	Y120 A121 E122	S118-Y120 PolarHBondContact O-N 2.86Å; S118-A121 WeakPolarHBondContact O-CA 3.32Å; S118-A121 VanDerWaalsContact O-CB 3.31Å; S118-A121 WeakPolarHBondContact O-CB 3.49Å; S118-A121 PolarHBondContact O-N 3.12Å; S118-E122 WeakPolarHBondContact CB-OE1 3.4Å; S118-E122 PolarHBondContact O-N 3.43Å; S118-E122 PolarHBondContact OG-OE1 2.75Å
119	C	77.5	Confident	82.4	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.02	35%	0.353	C	S	.	.	H	α-helix	trans	-59	-24.5	180	55.1	0	0	0	0	115.7	H117 A121 E122 L123 I315 C317 L318	H117-C119 WeakPolarHBondContact CB-SG 3.49Å; H117-C119 PolarHBondContact O-N 3.3Å; H117-C119 VanDerWaalsContact O-N 3.11Å; C119-A121 VanDerWaalsContact C-N 3.32Å; C119-E122 PolarHBondContact O-N 2.83Å; C119-L123 VanDerWaalsContact O-CB 3.31Å; C119-L123 WeakPolarHBondContact O-CB 3.14Å; C119-L123 WeakPolarHBondContact O-CD1 3.45Å; C119-L123 WeakPolarHBondContact O-CG 3.18Å; C119-L123 PolarHBondContact O-N 3.48Å; C119-I315 HydrophobicContact CB-CG2 4.25Å; C119-I315 WeakPolarHBondContact SG-CG2 3.47Å; C119-C317 HydrophobicContact CB-CB 3.89Å; C119-C317 WeakPolarHBondContact CB-SG 3.47Å; C119-C317 WeakPolarHBondContact SG-CB 2.92Å; C119-C317 CovalentContact SG-SG 1.94Å; C119-C317 PolarHBondContact SG-SG 3.16Å; C119-L318 HydrophobicContact CB-CD1 4.41Å
120	Y	81	Confident	82.5	Confident	1 Å²	1	63.2 Å²	63.2	0%	0.004	34%	0.339	C	S	.	.	H	α-helix	trans	-63.3	-44.2	171	-71.1	-66.1	0	0	0	110.2	W109 L110 W114 H117 S118 L123 G124 V125 Y135 P316 C317	W109-Y120 HydrophobicContact CH2-CE2 4.5Å; W109-Y120 VanDerWaalsContact CH2-OH 3.26Å; W109-Y120 WeakPolarHBondContact CH2-OH 3.47Å; W109-Y120 AromaticContact CZ3-CZ 3.97Å; W109-Y120 VanDerWaalsContact CZ3-OH 3.3Å; W109-Y120 WeakPolarHBondContact CZ3-OH 3.3Å; L110-Y120 HydrophobicContact CD2-CD1 3.81Å; L110-Y120 HydrophobicContact CD2-CE1 3.52Å; L110-Y120 HydrophobicContact CD2-CE2 4.5Å; L110-Y120 HydrophobicContact CD2-CG 4.42Å; W114-Y120 VanDerWaalsContact O-CB 3.26Å; W114-Y120 WeakPolarHBondContact O-CB 3.39Å; W114-Y120 WeakPolarHBondContact O-CD2 3.22Å; H117-Y120 HydrophobicContact CB-CD2 4.02Å; H117-Y120 HydrophobicContact CB-CE2 4.06Å; H117-Y120 WeakPolarHBondContact O-CD2 3.25Å; H117-Y120 PolarHBondContact O-N 2.78Å; H117-Y120 VanDerWaalsContact O-N 3.15Å; S118-Y120 PolarHBondContact O-N 2.86Å; Y120-L123 CarbonylContact O-C 3.53Å; Y120-L123 PolarHBondContact O-N 2.82Å; Y120-G124 PolarHBondContact O-N 3.13Å; Y120-V125 VanDerWaalsContact O-CB 3.28Å; Y120-V125 WeakPolarHBondContact O-CB 3.28Å; Y120-V125 WeakPolarHBondContact O-CG2 3.4Å; Y120-V125 PolarHBondContact O-N 2.89Å; Y120-Y135 AromaticContact CD1-CE1 3.99Å; Y120-Y135 HydrophobicContact CD1-CE1 3.99Å; Y120-Y135 HydrophobicContact CD1-CE2 4.16Å; Y120-Y135 AromaticContact CD1-CZ 3.78Å; Y120-Y135 AromaticContact CE1-CE1 3.71Å; Y120-Y135 HydrophobicContact CE1-CE1 3.71Å; Y120-Y135 HydrophobicContact CE1-CE2 4.41Å; Y120-Y135 AromaticContact CE1-CZ 3.6Å; Y120-Y135 WeakPolarHBondContact CE1-OH 3.43Å; Y120-P316 VanDerWaalsContact OH-CB 3.24Å; Y120-P316 WeakPolarHBondContact OH-CB 3.24Å; Y120-C317 HydrophobicContact CD1-CB 3.51Å; Y120-C317 HydrophobicContact CD2-CB 3.99Å; Y120-C317 VanDerWaalsContact CE1-CA 3.49Å; Y120-C317 HydrophobicContact CE1-CB 3.39Å; Y120-C317 HydrophobicContact CE2-CB 3.91Å; Y120-C317 HydrophobicContact CG-CB 3.8Å; Y120-C317 PolarHBondContact OH-N 3.37Å
121	A	82.8	Confident	82.5	Confident	56 Å²	56	63.8 Å²	63.8	46%	0.463	34%	0.343	S	S	.	.	H	α-helix	trans	-66.6	-38.4	174.4	0	0	0	0	0	111.9	W114 S118 C119 L123 G124 V125	W114-A121 HydrophobicContact CZ3-CB 4.12Å; S118-A121 WeakPolarHBondContact O-CA 3.32Å; S118-A121 VanDerWaalsContact O-CB 3.31Å; S118-A121 WeakPolarHBondContact O-CB 3.49Å; S118-A121 PolarHBondContact O-N 3.12Å; C119-A121 VanDerWaalsContact C-N 3.32Å; A121-L123 PolarHBondContact O-N 2.64Å; A121-G124 PolarHBondContact O-N 3.5Å; A121-V125 WeakPolarHBondContact CA-O 3.18Å
122	E	74.7	Confident	82.5	Confident	142 Å²	142	59 Å²	59	66%	0.664	33%	0.325	S	S	*	.	H	α-helix	trans	-63.2	-31.3	174.3	-60.6	161.5	-155	0	0	112.1	S118 C119 G124	S118-E122 WeakPolarHBondContact CB-OE1 3.4Å; S118-E122 PolarHBondContact O-N 3.43Å; S118-E122 PolarHBondContact OG-OE1 2.75Å; C119-E122 PolarHBondContact O-N 2.83Å; E122-G124 VanDerWaalsContact C-N 3.27Å; E122-G124 PolarHBondContact O-N 2.88Å
123	L	73.4	Confident	82.5	Confident	72 Å²	72	48.8 Å²	48.8	38%	0.377	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	11.2	174.9	-66.4	168	0	0	0	113.1	C119 Y120 A121 Y135 V139 C317	C119-L123 VanDerWaalsContact O-CB 3.31Å; C119-L123 WeakPolarHBondContact O-CB 3.14Å; C119-L123 WeakPolarHBondContact O-CD1 3.45Å; C119-L123 WeakPolarHBondContact O-CG 3.18Å; C119-L123 PolarHBondContact O-N 3.48Å; Y120-L123 CarbonylContact O-C 3.53Å; Y120-L123 PolarHBondContact O-N 2.82Å; A121-L123 PolarHBondContact O-N 2.64Å; L123-Y135 HydrophobicContact CB-CD2 4.17Å; L123-Y135 HydrophobicContact CB-CE2 4.26Å; L123-Y135 HydrophobicContact CD1-CD2 4.47Å; L123-Y135 HydrophobicContact CD1-CE2 3.76Å; L123-V139 HydrophobicContact CD1-CG1 4.43Å; L123-C317 HydrophobicContact CD1-CB 4.33Å; L123-C317 WeakPolarHBondContact CD1-O 3.45Å
124	G	78.4	Confident	82.1	Confident	50 Å²	50	53.4 Å²	53.4	52%	0.515	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	11.4	172	0	0	0	0	0	115.7	Y120 A121 E122 D126 S131	Y120-G124 PolarHBondContact O-N 3.13Å; A121-G124 PolarHBondContact O-N 3.5Å; E122-G124 VanDerWaalsContact C-N 3.27Å; E122-G124 PolarHBondContact O-N 2.88Å; G124-D126 PolarHBondContact O-N 2.69Å; G124-S131 WeakPolarHBondContact O-CB 3.41Å
125	V	83.7	Confident	81.9	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.012	29%	0.294	C	S	.	.			trans	-78.9	114.2	171	-174.7	0	0	0	0	109.4	W114 Y120 A121 I132 Y135	W114-V125 HydrophobicContact CB-CG1 3.76Å; W114-V125 HydrophobicContact CD2-CG1 4.15Å; W114-V125 HydrophobicContact CE3-CB 4.49Å; W114-V125 HydrophobicContact CE3-CG1 4.14Å; W114-V125 HydrophobicContact CG-CG1 4.03Å; W114-V125 WeakPolarHBondContact CZ3-O 3.36Å; Y120-V125 VanDerWaalsContact O-CB 3.28Å; Y120-V125 WeakPolarHBondContact O-CB 3.28Å; Y120-V125 WeakPolarHBondContact O-CG2 3.4Å; Y120-V125 PolarHBondContact O-N 2.89Å; A121-V125 WeakPolarHBondContact CA-O 3.18Å; V125-I132 HydrophobicContact CG1-CG1 3.89Å; V125-Y135 VanDerWaalsContact CG2-CB 3.44Å; V125-Y135 HydrophobicContact CG2-CD1 4.32Å; V125-Y135 HydrophobicContact CG2-CD2 3.91Å; V125-Y135 HydrophobicContact CG2-CG 3.62Å
126	D	84.6	Confident	81.6	Confident	103 Å²	103	44 Å²	44	55%	0.551	26%	0.26	S	S	*	.			trans	-106.2	2.3	-179.4	62.7	7.4	0	0	0	113.4	W114 G124 S128 S131	W114-D126 WeakPolarHBondContact CZ2-O 3.38Å; G124-D126 PolarHBondContact O-N 2.69Å; D126-S128 WeakPolarHBondContact OD1-CB 3Å; D126-S128 PolarHBondContact OD1-N 3.45Å; D126-S128 PolarHBondContact OD1-OG 3.24Å; D126-S131 PolarHBondContact N-OG 2.88Å; D126-S131 VanDerWaalsContact N-OG 3.07Å; D126-S131 WeakPolarHBondContact OD1-CB 3.47Å; D126-S131 PolarHBondContact OD1-OG 3.13Å
127	G	83.5	Confident	81.3	Confident	30 Å²	30	40.3 Å²	40.3	31%	0.309	24%	0.238	S	C	.	.	S	Bend	trans	90.3	-7.1	-176.1	0	0	0	0	0	114.6	W114	W114-G127 VanDerWaalsContact CE2-CA 3.46Å
128	S	85.2	Confident	80.8	Confident	36 Å²	36	40.6 Å²	40.6	25%	0.252	24%	0.239	S	C	.	.	S	Bend	trans	-69.2	149.4	168.7	72.2	0	0	0	0	111.3	D126 C130 S131 I132	D126-S128 WeakPolarHBondContact OD1-CB 3Å; D126-S128 PolarHBondContact OD1-N 3.45Å; D126-S128 PolarHBondContact OD1-OG 3.24Å; S128-C130 PolarHBondContact O-N 3.35Å; S128-S131 PolarHBondContact O-N 3.5Å; S128-S131 PolarHBondContact O-OG 2.75Å; S128-S131 WeakPolarHBondContact OG-CB 3.48Å; S128-S131 PolarHBondContact OG-N 2.83Å; S128-S131 PolarHBondContact OG-OG 3.36Å; S128-I132 WeakPolarHBondContact O-CG1 3.49Å; S128-I132 PolarHBondContact O-N 3.05Å; S128-I132 VanDerWaalsContact O-N 3.08Å
129	E	80.8	Confident	80.2	Confident	46 Å²	46	39.2 Å²	39.2	22%	0.215	23%	0.227	C	C	.	.	H	α-helix	trans	-53.6	-38.3	174.9	-74.3	-61.9	119.1	0	0	112.3	L78 R111 F133	L78-E129 HydrophobicContact CD2-CB 4Å; R111-E129 WeakPolarHBondContact CD-OE1 3.35Å; R111-E129 WeakPolarHBondContact CG-OE1 3.08Å; R111-E129 IonicContact CZ-OE1 3.36Å; R111-E129 IonicContact CZ-OE2 3.38Å; R111-E129 VanDerWaalsContact NE-CD 3.33Å; R111-E129 IonicContact NE-OE1 3.01Å; R111-E129 PolarHBondContact NE-OE1 3.15Å; R111-E129 IonicContact NE-OE2 2.64Å; R111-E129 PolarHBondContact NE-OE2 3.28Å; R111-E129 VanDerWaalsContact NH2-CD 3.27Å; R111-E129 IonicContact NH2-OE1 2.83Å; R111-E129 PolarHBondContact NH2-OE1 3.25Å; R111-E129 IonicContact NH2-OE2 3.4Å; R111-E129 PolarHBondContact NH2-OE2 3.02Å; E129-F133 WeakPolarHBondContact O-CB 3.2Å; E129-F133 PolarHBondContact O-N 3.22Å
130	C	82.7	Confident	79.9	Confident	23 Å²	23	39.7 Å²	39.7	16%	0.155	23%	0.229	C	C	.	.	H	α-helix	trans	-71.7	-39.9	-175.6	-161.5	0	0	0	0	111.5	C90 S128 R134	C90-C130 HydrophobicContact CB-CB 3.72Å; C90-C130 WeakPolarHBondContact CB-SG 3.44Å; C90-C130 WeakPolarHBondContact SG-CA 3.47Å; C90-C130 WeakPolarHBondContact SG-CB 3.25Å; C90-C130 CovalentContact SG-SG 2.03Å; C90-C130 PolarHBondContact SG-SG 2.76Å; S128-C130 PolarHBondContact O-N 3.35Å; C130-R134 WeakPolarHBondContact O-CB 3.49Å; C130-R134 PolarHBondContact O-N 2.67Å
131	S	86.5	Confident	79.3	Confident	13 Å²	13	41.7 Å²	41.7	9%	0.091	25%	0.249	C	C	.	.	H	α-helix	trans	-70.1	-37.6	175.9	71.7	0	0	0	0	112.4	G124 D126 S128 R134 Y135	G124-S131 WeakPolarHBondContact O-CB 3.41Å; D126-S131 PolarHBondContact N-OG 2.88Å; D126-S131 VanDerWaalsContact N-OG 3.07Å; D126-S131 WeakPolarHBondContact OD1-CB 3.47Å; D126-S131 PolarHBondContact OD1-OG 3.13Å; S128-S131 PolarHBondContact O-N 3.5Å; S128-S131 PolarHBondContact O-OG 2.75Å; S128-S131 WeakPolarHBondContact OG-CB 3.48Å; S128-S131 PolarHBondContact OG-N 2.83Å; S128-S131 PolarHBondContact OG-OG 3.36Å; S131-R134 PolarHBondContact O-N 3.23Å; S131-Y135 WeakPolarHBondContact O-CB 3.45Å; S131-Y135 PolarHBondContact O-N 3.31Å
132	I	87.6	Confident	78.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-50.1	173.7	-68.8	169.1	0	0	0	110.6	I107 L110 R111 V125 S128 R134 Y135 L136	I107-I132 HydrophobicContact CB-CG2 4.27Å; I107-I132 HydrophobicContact CG1-CG2 4.24Å; I107-I132 HydrophobicContact CG2-CG2 4.14Å; L110-I132 HydrophobicContact CB-CD1 4.45Å; L110-I132 HydrophobicContact CB-CG1 4.25Å; L110-I132 HydrophobicContact CB-CG2 3.65Å; L110-I132 HydrophobicContact CD1-CG2 3.94Å; L110-I132 HydrophobicContact CG-CG2 4.46Å; R111-I132 HydrophobicContact CB-CD1 4.45Å; R111-I132 HydrophobicContact CG-CD1 3.91Å; V125-I132 HydrophobicContact CG1-CG1 3.89Å; S128-I132 WeakPolarHBondContact O-CG1 3.49Å; S128-I132 PolarHBondContact O-N 3.05Å; S128-I132 VanDerWaalsContact O-N 3.08Å; I132-R134 VanDerWaalsContact C-N 3.32Å; I132-R134 PolarHBondContact O-N 3.48Å; I132-Y135 PolarHBondContact O-N 2.72Å; I132-L136 HydrophobicContact CG2-CD1 3.99Å; I132-L136 WeakPolarHBondContact O-CG 3.01Å; I132-L136 PolarHBondContact O-N 2.7Å
133	F	86.5	Confident	78.7	Confident	4 Å²	4	34.7 Å²	34.7	2%	0.018	21%	0.206	C	C	.	.	H	α-helix	trans	-62.3	-41.5	178.4	-174.7	-91.8	0	0	0	111.7	I92 L97 I107 E129 L136 S137 C143 P144 M146	I92-F133 HydrophobicContact CB-CZ 4.45Å; I92-F133 HydrophobicContact CD1-CB 4.44Å; I92-F133 HydrophobicContact CD1-CD1 3.93Å; I92-F133 HydrophobicContact CD1-CD2 3.22Å; I92-F133 HydrophobicContact CD1-CE1 3.93Å; I92-F133 HydrophobicContact CD1-CE2 3.21Å; I92-F133 HydrophobicContact CD1-CG 3.59Å; I92-F133 HydrophobicContact CD1-CZ 3.57Å; I92-F133 HydrophobicContact CG1-CD1 4.23Å; I92-F133 HydrophobicContact CG1-CD2 4.15Å; I92-F133 HydrophobicContact CG1-CE1 3.83Å; I92-F133 HydrophobicContact CG1-CE2 3.73Å; I92-F133 HydrophobicContact CG1-CG 4.38Å; I92-F133 HydrophobicContact CG1-CZ 3.54Å; I92-F133 HydrophobicContact CG2-CE2 4.16Å; I92-F133 HydrophobicContact CG2-CZ 4.03Å; L97-F133 HydrophobicContact CD2-CE2 4.34Å; I107-F133 HydrophobicContact CD1-CD2 3.84Å; E129-F133 WeakPolarHBondContact O-CB 3.2Å; E129-F133 PolarHBondContact O-N 3.22Å; F133-L136 PolarHBondContact O-N 3.45Å; F133-S137 VanDerWaalsContact O-CB 3.29Å; F133-S137 WeakPolarHBondContact O-CB 3.43Å; F133-S137 PolarHBondContact O-N 2.52Å; F133-S137 PolarHBondContact O-OG 3.1Å; F133-C143 HydrophobicContact CD2-CB 3.98Å; F133-C143 HydrophobicContact CE1-CB 4.47Å; F133-C143 HydrophobicContact CE2-CB 3.54Å; F133-C143 HydrophobicContact CZ-CB 3.83Å; F133-P144 WeakPolarHBondContact CE1-O 3.32Å; F133-P144 HydrophobicContact CZ-CB 4.47Å; F133-P144 HydrophobicContact CZ-CG 4.32Å; F133-P144 VanDerWaalsContact CZ-O 3.25Å; F133-P144 WeakPolarHBondContact CZ-O 3.3Å; F133-M146 HydrophobicContact CD1-CG 3.73Å; F133-M146 HydrophobicContact CD1-SD 3.71Å; F133-M146 HydrophobicContact CE1-CG 3.41Å; F133-M146 VanDerWaalsContact CE1-CG 3.41Å; F133-M146 HydrophobicContact CE1-SD 4.04Å
134	R	79.7	Confident	78.5	Confident	108 Å²	108	31.9 Å²	31.9	41%	0.408	19%	0.192	S	C	.	.	H	α-helix	trans	-61	-46.9	176.8	-172.6	178.6	-177.6	-171.1	-4.2	111.6	C130 S131 I132 L136 S137 E138 F151	C130-R134 WeakPolarHBondContact O-CB 3.49Å; C130-R134 PolarHBondContact O-N 2.67Å; S131-R134 PolarHBondContact O-N 3.23Å; I132-R134 VanDerWaalsContact C-N 3.32Å; I132-R134 PolarHBondContact O-N 3.48Å; R134-L136 VanDerWaalsContact C-N 3.35Å; R134-L136 PolarHBondContact O-N 3Å; R134-S137 WeakPolarHBondContact CA-OG 3.39Å; R134-S137 PolarHBondContact O-N 2.92Å; R134-S137 PolarHBondContact O-OG 3.34Å; R134-S137 VanDerWaalsContact O-OG 3.09Å; R134-E138 HydrophobicContact CG-CG 4.11Å; R134-E138 WeakPolarHBondContact CG-OE1 3.36Å; R134-E138 WeakPolarHBondContact CG-OE2 3.47Å; R134-E138 IonicContact CZ-OE2 2.67Å; R134-E138 IonicContact NE-OE1 3.83Å; R134-E138 PolarHBondContact NE-OE1 2.88Å; R134-E138 IonicContact NE-OE2 3.69Å; R134-E138 PolarHBondContact NE-OE2 2.98Å; R134-E138 IonicContact NH2-OE2 3.4Å; R134-E138 PolarHBondContact NH2-OE2 2.99Å; R134-E138 VanDerWaalsContact O-CB 3.29Å; R134-E138 WeakPolarHBondContact O-CB 3.03Å; R134-E138 PolarHBondContact O-N 2.94Å; R134-F151 PolarHBondContact NH2-O 2.77Å
135	Y	81.6	Confident	78	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.016	19%	0.193	C	C	.	.	I	π-helix	trans	-60	-45.3	175	171.5	-94.6	0	0	0	111.9	L110 Y120 L123 V125 S131 I132 S137 V139 E140 C317	L110-Y135 HydrophobicContact CD1-CD1 3.4Å; L110-Y135 VanDerWaalsContact CD1-CD1 3.4Å; L110-Y135 HydrophobicContact CD1-CE1 3.76Å; L110-Y135 HydrophobicContact CD2-CE1 4.48Å; Y120-Y135 AromaticContact CD1-CE1 3.99Å; Y120-Y135 HydrophobicContact CD1-CE1 3.99Å; Y120-Y135 HydrophobicContact CD1-CE2 4.16Å; Y120-Y135 AromaticContact CD1-CZ 3.78Å; Y120-Y135 AromaticContact CE1-CE1 3.71Å; Y120-Y135 HydrophobicContact CE1-CE1 3.71Å; Y120-Y135 HydrophobicContact CE1-CE2 4.41Å; Y120-Y135 AromaticContact CE1-CZ 3.6Å; Y120-Y135 WeakPolarHBondContact CE1-OH 3.43Å; L123-Y135 HydrophobicContact CB-CD2 4.17Å; L123-Y135 HydrophobicContact CB-CE2 4.26Å; L123-Y135 HydrophobicContact CD1-CD2 4.47Å; L123-Y135 HydrophobicContact CD1-CE2 3.76Å; V125-Y135 VanDerWaalsContact CG2-CB 3.44Å; V125-Y135 HydrophobicContact CG2-CD1 4.32Å; V125-Y135 HydrophobicContact CG2-CD2 3.91Å; V125-Y135 HydrophobicContact CG2-CG 3.62Å; S131-Y135 WeakPolarHBondContact O-CB 3.45Å; S131-Y135 PolarHBondContact O-N 3.31Å; I132-Y135 PolarHBondContact O-N 2.72Å; Y135-S137 VanDerWaalsContact C-N 3.28Å; Y135-S137 PolarHBondContact O-N 3.4Å; Y135-V139 HydrophobicContact CD2-CB 3.76Å; Y135-V139 HydrophobicContact CD2-CG1 4.1Å; Y135-V139 HydrophobicContact CD2-CG2 3.79Å; Y135-V139 HydrophobicContact CE2-CB 3.83Å; Y135-V139 HydrophobicContact CE2-CG1 3.67Å; Y135-V139 HydrophobicContact CE2-CG2 4.23Å; Y135-V139 HydrophobicContact CG-CB 4.42Å; Y135-V139 WeakPolarHBondContact O-CA 3.43Å; Y135-V139 VanDerWaalsContact O-CB 3.22Å; Y135-V139 WeakPolarHBondContact O-CB 3.34Å; Y135-V139 PolarHBondContact O-N 3.25Å; Y135-E140 HydrophobicContact CD1-CG 4.32Å; Y135-E140 VanDerWaalsContact CE1-CD 3.49Å; Y135-E140 HydrophobicContact CE1-CG 3.49Å; Y135-E140 VanDerWaalsContact CE1-CG 3.49Å; Y135-E140 PolarHBondContact O-N 3.05Å; Y135-E140 WeakPolarHBondContact OH-CG 3.38Å; Y135-E140 PolarHBondContact OH-OE1 3.37Å; Y135-C317 VanDerWaalsContact OH-C 3.32Å; Y135-C317 WeakPolarHBondContact OH-CA 3.29Å; Y135-C317 PolarHBondContact OH-O 3.07Å
136	L	80.4	Confident	77.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	I	π-helix	trans	-69.9	-25.5	178.9	-69.3	172.8	0	0	0	113.3	K106 I107 L110 I132 F133 R134 E140 G141 F142 C143	K106-L136 HydrophobicContact CB-CD1 3.78Å; K106-L136 HydrophobicContact CB-CD2 3.78Å; K106-L136 HydrophobicContact CB-CG 4.44Å; K106-L136 HydrophobicContact CD-CD2 4.24Å; I107-L136 HydrophobicContact CB-CD1 4.22Å; I107-L136 HydrophobicContact CG1-CD1 3.51Å; I107-L136 VanDerWaalsContact N-CD1 3.34Å; L110-L136 HydrophobicContact CD1-CD1 3.91Å; L110-L136 HydrophobicContact CD1-CD2 3.58Å; L110-L136 HydrophobicContact CD1-CG 3.58Å; I132-L136 HydrophobicContact CG2-CD1 3.99Å; I132-L136 WeakPolarHBondContact O-CG 3.01Å; I132-L136 PolarHBondContact O-N 2.7Å; F133-L136 PolarHBondContact O-N 3.45Å; R134-L136 VanDerWaalsContact C-N 3.35Å; R134-L136 PolarHBondContact O-N 3Å; L136-E140 HydrophobicContact CD2-CB 4.45Å; L136-E140 WeakPolarHBondContact CD2-OE2 3.14Å; L136-G141 CarbonylContact O-C 3.5Å; L136-G141 WeakPolarHBondContact O-CA 3.39Å; L136-G141 PolarHBondContact O-N 2.89Å; L136-F142 HydrophobicContact CD2-CB 4.34Å; L136-F142 HydrophobicContact CD2-CD2 4.3Å; L136-F142 PolarHBondContact O-N 2.94Å; L136-C143 HydrophobicContact CB-CB 3.99Å; L136-C143 VanDerWaalsContact CB-SG 3.53Å; L136-C143 PolarHBondContact O-N 3.09Å
137	S	76.3	Confident	75.6	Confident	4 Å²	4	38.6 Å²	38.6	3%	0.028	22%	0.215	C	C	.	.	I	π-helix	trans	-88.2	-44.9	178.4	56.9	0	0	0	0	113.2	F133 R134 Y135 C143 P144	F133-S137 VanDerWaalsContact O-CB 3.29Å; F133-S137 WeakPolarHBondContact O-CB 3.43Å; F133-S137 PolarHBondContact O-N 2.52Å; F133-S137 PolarHBondContact O-OG 3.1Å; R134-S137 WeakPolarHBondContact CA-OG 3.39Å; R134-S137 PolarHBondContact O-N 2.92Å; R134-S137 PolarHBondContact O-OG 3.34Å; R134-S137 VanDerWaalsContact O-OG 3.09Å; Y135-S137 VanDerWaalsContact C-N 3.28Å; Y135-S137 PolarHBondContact O-N 3.4Å; S137-C143 VanDerWaalsContact CA-O 3.28Å; S137-C143 WeakPolarHBondContact CA-O 3.17Å; S137-C143 WeakPolarHBondContact CB-O 3.33Å; S137-P144 WeakPolarHBondContact CB-O 3.22Å
138	E	69.9	Low	73.7	Confident	71 Å²	71	44.3 Å²	44.3	33%	0.332	24%	0.239	S	C	.	.	I	π-helix	trans	-91.9	-30.8	-173.2	-61.5	178.5	-176	0	0	113.1	R134	R134-E138 HydrophobicContact CG-CG 4.11Å; R134-E138 WeakPolarHBondContact CG-OE1 3.36Å; R134-E138 WeakPolarHBondContact CG-OE2 3.47Å; R134-E138 IonicContact CZ-OE2 2.67Å; R134-E138 IonicContact NE-OE1 3.83Å; R134-E138 PolarHBondContact NE-OE1 2.88Å; R134-E138 IonicContact NE-OE2 3.69Å; R134-E138 PolarHBondContact NE-OE2 2.98Å; R134-E138 IonicContact NH2-OE2 3.4Å; R134-E138 PolarHBondContact NH2-OE2 2.99Å; R134-E138 VanDerWaalsContact O-CB 3.29Å; R134-E138 WeakPolarHBondContact O-CB 3.03Å; R134-E138 PolarHBondContact O-N 2.94Å
139	V	67.9	Low	71.8	Confident	56 Å²	56	47.4 Å²	47.4	34%	0.339	25%	0.245	S	C	.	.	I	π-helix	trans	-103	-54.7	-174.6	-174.5	0	0	0	0	111.9	L123 Y135	L123-V139 HydrophobicContact CD1-CG1 4.43Å; Y135-V139 HydrophobicContact CD2-CB 3.76Å; Y135-V139 HydrophobicContact CD2-CG1 4.1Å; Y135-V139 HydrophobicContact CD2-CG2 3.79Å; Y135-V139 HydrophobicContact CE2-CB 3.83Å; Y135-V139 HydrophobicContact CE2-CG1 3.67Å; Y135-V139 HydrophobicContact CE2-CG2 4.23Å; Y135-V139 HydrophobicContact CG-CB 4.42Å; Y135-V139 WeakPolarHBondContact O-CA 3.43Å; Y135-V139 VanDerWaalsContact O-CB 3.22Å; Y135-V139 WeakPolarHBondContact O-CB 3.34Å; Y135-V139 PolarHBondContact O-N 3.25Å
140	E	70.9	Confident	69.7	Low	13 Å²	13	53.1 Å²	53.1	6%	0.061	27%	0.269	C	S	.	.	S	Bend	trans	-90.9	-20.5	-177.3	-64.9	-162.1	160.5	0	0	113.8	K106 Y135 L136 F142 M319	K106-E140 IonicContact NZ-OE2 2.65Å; K106-E140 PolarHBondContact NZ-OE2 3.3Å; Y135-E140 HydrophobicContact CD1-CG 4.32Å; Y135-E140 VanDerWaalsContact CE1-CD 3.49Å; Y135-E140 HydrophobicContact CE1-CG 3.49Å; Y135-E140 VanDerWaalsContact CE1-CG 3.49Å; Y135-E140 PolarHBondContact O-N 3.05Å; Y135-E140 WeakPolarHBondContact OH-CG 3.38Å; Y135-E140 PolarHBondContact OH-OE1 3.37Å; L136-E140 HydrophobicContact CD2-CB 4.45Å; L136-E140 WeakPolarHBondContact CD2-OE2 3.14Å; E140-F142 VanDerWaalsContact C-N 3.29Å; E140-F142 HydrophobicContact CB-CD2 3.29Å; E140-F142 HydrophobicContact CB-CE2 3.58Å; E140-F142 HydrophobicContact CB-CG 4.45Å; E140-F142 HydrophobicContact CG-CD2 4.21Å; E140-F142 HydrophobicContact CG-CE2 4.23Å; E140-F142 PolarHBondContact O-N 2.94Å; E140-F142 WeakPolarHBondContact OE2-CD2 3.05Å; E140-F142 WeakPolarHBondContact OE2-CE2 3.38Å; E140-M319 HydrophobicContact CG-CG 4.28Å
141	G	67.9	Low	67.4	Low	42 Å²	42	59.5 Å²	59.5	43%	0.433	29%	0.294	S	S	.	.			trans	70.4	18.8	-179.7	0	0	0	0	0	115	L136	L136-G141 CarbonylContact O-C 3.5Å; L136-G141 WeakPolarHBondContact O-CA 3.39Å; L136-G141 PolarHBondContact O-N 2.89Å
142	F	72.7	Confident	65.2	Low	51 Å²	51	63.1 Å²	63.1	22%	0.224	32%	0.316	C	S	.	.	S	Bend	trans	-83.1	-9.3	174.4	-68	-71.6	0	0	0	114	Y100 E102 C103 K106 L136 E140 M319	Y100-F142 WeakPolarHBondContact CB-O 3.26Å; Y100-F142 WeakPolarHBondContact CD1-O 3.31Å; E102-F142 HydrophobicContact CB-CD1 4.05Å; E102-F142 WeakPolarHBondContact OE2-CD1 3.48Å; E102-F142 WeakPolarHBondContact OE2-CE1 3.34Å; C103-F142 VanDerWaalsContact CA-O 3.24Å; C103-F142 WeakPolarHBondContact CA-O 3.15Å; C103-F142 WeakPolarHBondContact CB-O 3.42Å; C103-F142 PolarHBondContact N-O 2.88Å; K106-F142 HydrophobicContact CD-CB 3.5Å; K106-F142 HydrophobicContact CD-CD1 3.49Å; K106-F142 VanDerWaalsContact CD-CD1 3.49Å; K106-F142 HydrophobicContact CD-CD2 3.25Å; K106-F142 HydrophobicContact CD-CE1 3.98Å; K106-F142 HydrophobicContact CD-CE2 3.81Å; K106-F142 HydrophobicContact CD-CG 3.1Å; K106-F142 HydrophobicContact CD-CZ 4.14Å; K106-F142 VanDerWaalsContact CE-CD1 3.49Å; K106-F142 VanDerWaalsContact CE-CE1 3.4Å; K106-F142 VanDerWaalsContact CE-CG 3.42Å; L136-F142 HydrophobicContact CD2-CB 4.34Å; L136-F142 HydrophobicContact CD2-CD2 4.3Å; L136-F142 PolarHBondContact O-N 2.94Å; E140-F142 VanDerWaalsContact C-N 3.29Å; E140-F142 HydrophobicContact CB-CD2 3.29Å; E140-F142 HydrophobicContact CB-CE2 3.58Å; E140-F142 HydrophobicContact CB-CG 4.45Å; E140-F142 HydrophobicContact CG-CD2 4.21Å; E140-F142 HydrophobicContact CG-CE2 4.23Å; E140-F142 PolarHBondContact O-N 2.94Å; E140-F142 WeakPolarHBondContact OE2-CD2 3.05Å; E140-F142 WeakPolarHBondContact OE2-CE2 3.38Å; F142-M319 HydrophobicContact CE2-SD 4.38Å
143	C	71.8	Confident	63	Low	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	-127.8	158.5	177	-70.8	0	0	0	0	111.9	Y100 C103 F133 L136 S137 I145	Y100-C143 VanDerWaalsContact CE1-O 3.23Å; Y100-C143 WeakPolarHBondContact CE1-O 3.43Å; C103-C143 WeakPolarHBondContact CA-SG 3.47Å; C103-C143 HydrophobicContact CB-CB 4.05Å; C103-C143 WeakPolarHBondContact CB-SG 3.49Å; C103-C143 WeakPolarHBondContact SG-CB 3.46Å; C103-C143 CovalentContact SG-SG 2.04Å; C103-C143 PolarHBondContact SG-SG 3.5Å; F133-C143 HydrophobicContact CD2-CB 3.98Å; F133-C143 HydrophobicContact CE1-CB 4.47Å; F133-C143 HydrophobicContact CE2-CB 3.54Å; F133-C143 HydrophobicContact CZ-CB 3.83Å; L136-C143 HydrophobicContact CB-CB 3.99Å; L136-C143 VanDerWaalsContact CB-SG 3.53Å; L136-C143 PolarHBondContact O-N 3.09Å; S137-C143 VanDerWaalsContact CA-O 3.28Å; S137-C143 WeakPolarHBondContact CA-O 3.17Å; S137-C143 WeakPolarHBondContact CB-O 3.33Å; C143-I145 PolarHBondContact O-N 2.98Å
144	P	69.2	Low	61.1	Low	13 Å²	13	79.6 Å²	79.6	8%	0.084	39%	0.393	C	S	.	.			trans	-59.2	135.3	173.7	-13.9	21.6	0	0	0	111.9	D96 L97 Y100 F133 S137 M146	D96-P144 HydrophobicContact CB-CB 4.2Å; D96-P144 HydrophobicContact CB-CG 4.01Å; D96-P144 WeakPolarHBondContact O-CG 3.41Å; L97-P144 HydrophobicContact CD2-CG 4.22Å; Y100-P144 HydrophobicContact CD2-CB 4.02Å; Y100-P144 VanDerWaalsContact CD2-CD 3.49Å; Y100-P144 HydrophobicContact CD2-CG 3.42Å; Y100-P144 VanDerWaalsContact CD2-CG 3.42Å; Y100-P144 VanDerWaalsContact CE2-CA 3.48Å; Y100-P144 HydrophobicContact CE2-CB 3.71Å; Y100-P144 HydrophobicContact CE2-CG 3.67Å; Y100-P144 HydrophobicContact CG-CG 4.08Å; F133-P144 WeakPolarHBondContact CE1-O 3.32Å; F133-P144 HydrophobicContact CZ-CB 4.47Å; F133-P144 HydrophobicContact CZ-CG 4.32Å; F133-P144 VanDerWaalsContact CZ-O 3.25Å; F133-P144 WeakPolarHBondContact CZ-O 3.3Å; S137-P144 WeakPolarHBondContact CB-O 3.22Å; P144-M146 PolarHBondContact O-N 3.08Å
145	I	69.1	Low	59.9	Low	102 Å²	102	80.1 Å²	80.1	52%	0.523	40%	0.4	S	S	.	.			trans	-60.9	134	169.2	-59.8	174.8	0	0	0	108.7	C143 D147	C143-I145 PolarHBondContact O-N 2.98Å; I145-D147 PolarHBondContact O-N 3.24Å
146	M	64.2	Low	59.4	Low	31 Å²	31	89.6 Å²	89.6	15%	0.153	44%	0.435	C	S	.	.			trans	-77.1	115.7	179.7	-63.7	-178.4	64.3	0	0	111.2	C90 F133 P144 N148	C90-M146 HydrophobicContact CB-CE 3.87Å; C90-M146 HydrophobicContact CB-SD 4.42Å; C90-M146 WeakPolarHBondContact SG-CE 3.46Å; C90-M146 PolarHBondContact SG-SD 2.8Å; F133-M146 HydrophobicContact CD1-CG 3.73Å; F133-M146 HydrophobicContact CD1-SD 3.71Å; F133-M146 HydrophobicContact CE1-CG 3.41Å; F133-M146 VanDerWaalsContact CE1-CG 3.41Å; F133-M146 HydrophobicContact CE1-SD 4.04Å; P144-M146 PolarHBondContact O-N 3.08Å; M146-N148 PolarHBondContact O-N 3.37Å
147	D	52.7	Low	59.4	Low	163 Å²	163	94 Å²	94	87%	0.872	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-2.5	-177.7	-95.9	-19.5	0	0	0	115.1	I145	I145-D147 PolarHBondContact O-N 3.24Å
148	N	44.8	Very low	59.9	Low	151 Å²	151	94.2 Å²	94.2	81%	0.807	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	16.1	-167.1	-85.4	-18.7	0	0	0	117.8	M146	M146-N148 PolarHBondContact O-N 3.37Å
149	R	43.8	Very low	60.9	Low	101 Å²	101	98 Å²	98	38%	0.381	47%	0.474	S	S	.	.			trans	-142.6	124.3	168.1	-67.1	-169.8	-173.4	-169.5	0.8	114	Q87 F151	Q87-R149 PolarHBondContact O-NH1 2.88Å; Q87-R149 PolarHBondContact O-NH2 2.97Å; R149-F151 VanDerWaalsContact C-N 3.31Å; R149-F151 PolarHBondContact O-N 3.04Å
150	K	36.9	Very low	62.1	Low	165 Å²	165	97.1 Å²	97.1	72%	0.717	47%	0.467	S	S	*	.			trans	-75.3	60.3	-176.4	-66.2	-178.5	175.8	179.3	0	114.2
151	F	35.7	Very low	63.2	Low	157 Å²	157	98.1 Å²	98.1	69%	0.689	47%	0.474	S	S	*	.			trans	-137	55.3	165	-80	-80.5	0	0	0	110.9	R134 R149	R134-F151 PolarHBondContact NH2-O 2.77Å; R149-F151 VanDerWaalsContact C-N 3.31Å; R149-F151 PolarHBondContact O-N 3.04Å
152	V	38.9	Very low	64.5	Low	90 Å²	90	101.6 Å²	101.6	55%	0.545	47%	0.474	S	S	.	.			trans	-73.8	121.7	157.5	-169.6	0	0	0	0	104.6	Q154	V152-Q154 PolarHBondContact O-N 3.15Å
153	E	42.8	Very low	65.6	Low	167 Å²	167	104.4 Å²	104.4	78%	0.78	49%	0.488	S	S	*	.			trans	-40.8	121.8	161.2	-88.5	-171.5	152.2	0	0	106.6	H155	E153-H155 PolarHBondContact O-N 3.23Å
154	Q	46.7	Very low	66.8	Low	183 Å²	183	106.2 Å²	106.2	86%	0.855	50%	0.498	S	S	*	.			trans	-57.4	90.5	179.4	-82.8	-176.7	-10.4	0	0	107.4	V152 R156	V152-Q154 PolarHBondContact O-N 3.15Å; Q154-R156 PolarHBondContact O-N 3.02Å
155	H	53	Low	68	Low	119 Å²	119	111 Å²	111	55%	0.551	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-51.6	116.4	164.5	-77.5	-9	0	0	0	103.5	E153 K157 P246	E153-H155 PolarHBondContact O-N 3.23Å; H155-K157 PolarHBondContact O-N 3.31Å; H155-K157 VanDerWaalsContact O-N 3.14Å; H155-P246 HydrophobicContact CB-CB 4.42Å
156	R	71.5	Confident	69.2	Low	202 Å²	202	112.7 Å²	112.7	76%	0.762	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-49.8	132.1	-176.7	-70.8	-176.5	176.9	-176.7	-0.4	106.1	Q154 A158 K247	Q154-R156 PolarHBondContact O-N 3.02Å; R156-A158 PolarHBondContact O-N 3.17Å; R156-K247 HydrophobicContact CB-CB 4.27Å; R156-K247 HydrophobicContact CB-CD 4.36Å; R156-K247 WeakPolarHBondContact O-CA 3.39Å; R156-K247 WeakPolarHBondContact O-CB 3.2Å; R156-K247 PolarHBondContact O-N 2.9Å
157	K	80.2	Confident	70.6	Confident	93 Å²	93	111.2 Å²	111.2	40%	0.404	52%	0.516	S	S	.	.	B	Isolated β-bridge	trans	-70	136.8	179	-67.3	177.4	-179.8	179.8	0	107.9	H155 Q159 F228 R245	H155-K157 PolarHBondContact O-N 3.31Å; H155-K157 VanDerWaalsContact O-N 3.14Å; K157-Q159 PolarHBondContact O-N 3.27Å; K157-F228 HydrophobicContact CD-CE2 4.33Å; K157-F228 HydrophobicContact CD-CZ 4.1Å; K157-F228 VanDerWaalsContact NZ-CE2 3.25Å; K157-R245 CarbonylContact C-O 3.54Å; K157-R245 WeakPolarHBondContact CA-O 3.44Å
158	A	87.9	Confident	72.6	Confident	8 Å²	8	104 Å²	104	7%	0.066	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-66.1	126.6	173.2	0	0	0	0	0	108.5	R156 R245 K247	R156-A158 PolarHBondContact O-N 3.17Å; A158-R245 HydrophobicContact CB-CB 4.43Å; A158-R245 PolarHBondContact N-O 2.63Å; A158-K247 HydrophobicContact CB-CB 4.22Å
159	Q	89.5	Confident	74.8	Confident	151 Å²	151	101.9 Å²	101.9	71%	0.706	47%	0.466	S	S	*	.			trans	-112.9	136	176.6	-70.6	-175.1	-23.4	0	0	109.3	K157 T161 G293	K157-Q159 PolarHBondContact O-N 3.27Å; Q159-T161 PolarHBondContact O-N 3.36Å; Q159-G293 WeakPolarHBondContact O-CA 3.47Å
160	I	94	Very high	77	Confident	38 Å²	38	99.8 Å²	99.8	20%	0.195	46%	0.462	C	S	.	.			trans	-59.8	125	179	-61.1	-56.6	0	0	0	109.6	R162 I199 I203 L242 I291 L292	I160-R162 HydrophobicContact CG2-CG 4.32Å; I160-I199 HydrophobicContact CD1-CD1 4.02Å; I160-I199 HydrophobicContact CG2-CD1 4.25Å; I160-I199 HydrophobicContact CG2-CG1 3.67Å; I160-I203 HydrophobicContact CG1-CD1 4.49Å; I160-I203 HydrophobicContact CG2-CD1 4.44Å; I160-L242 HydrophobicContact CD1-CD1 3.99Å; I160-I291 VanDerWaalsContact CA-O 3.29Å; I160-I291 WeakPolarHBondContact CA-O 3.22Å; I160-I291 HydrophobicContact CG2-CG2 4.43Å; I160-L292 HydrophobicContact CD1-CD2 4.47Å
161	T	94.6	Very high	79.4	Confident	34 Å²	34	92 Å²	92	21%	0.209	43%	0.428	C	S	.	.			trans	-97.1	143.6	176.6	68.4	0	0	0	0	110.1	Q159 Y290 I291	Q159-T161 PolarHBondContact O-N 3.36Å; T161-Y290 HydrophobicContact CG2-CE2 4.35Å; T161-Y290 WeakPolarHBondContact OG1-CD1 3.34Å; T161-Y290 WeakPolarHBondContact OG1-CE1 3.09Å; T161-Y290 PolarHBondContact OG1-O 2.95Å; T161-I291 PolarHBondContact N-O 3.29Å; T161-I291 VanDerWaalsContact OG1-CA 3.29Å; T161-I291 WeakPolarHBondContact OG1-CA 3.3Å; T161-I291 PolarHBondContact OG1-N 2.79Å
162	R	95.1	Very high	80.9	Confident	114 Å²	114	88.1 Å²	88.1	43%	0.43	42%	0.418	S	S	.	.			trans	-134.4	6	-178.7	-61.7	179.4	177.8	-159.9	-8	112.6	I160 W192 L196 Q200	I160-R162 HydrophobicContact CG2-CG 4.32Å; R162-W192 WeakPolarHBondContact O-CZ2 3.33Å; R162-L196 HydrophobicContact CB-CD2 3.89Å; R162-L196 HydrophobicContact CG-CD2 4.16Å; R162-Q200 VanDerWaalsContact NH1-OE1 3.16Å
163	E	95.8	Very high	82.2	Confident	110 Å²	110	87.1 Å²	87.1	51%	0.514	42%	0.42	S	S	.	.			trans	-95.7	120.7	-177	-64.1	-168.7	-146.1	0	0	110.3	Y166 Y290	E163-Y166 HydrophobicContact CB-CD2 3.89Å; E163-Y166 HydrophobicContact CB-CE2 4.29Å; E163-Y166 WeakPolarHBondContact OE2-CE2 3.36Å; E163-Y290 VanDerWaalsContact O-CE1 3.26Å; E163-Y290 WeakPolarHBondContact O-CE1 3.26Å; E163-Y290 VanDerWaalsContact O-CZ 3.28Å; E163-Y290 PolarHBondContact O-OH 2.94Å
164	L	96.3	Very high	83.6	Confident	39 Å²	39	82 Å²	82	20%	0.204	40%	0.398	C	S	.	.	H	α-helix	trans	-71.6	-36.5	-178.1	178.6	56.6	0	0	0	112.3	Y166 L167 L168 V188 K189 W192	L164-Y166 PolarHBondContact O-N 2.81Å; L164-L167 WeakPolarHBondContact O-CB 3.46Å; L164-L167 PolarHBondContact O-N 3.5Å; L164-L167 VanDerWaalsContact O-N 3.16Å; L164-L168 HydrophobicContact CD1-CD1 4.24Å; L164-L168 HydrophobicContact CD1-CD2 4.2Å; L164-L168 HydrophobicContact CD1-CG 3.93Å; L164-L168 HydrophobicContact CD2-CD1 4.34Å; L164-L168 HydrophobicContact CG-CD1 3.87Å; L164-L168 HydrophobicContact CG-CG 4.04Å; L164-L168 WeakPolarHBondContact O-CG 3.41Å; L164-L168 PolarHBondContact O-N 2.91Å; L164-V188 HydrophobicContact CD1-CG1 3.54Å; L164-K189 HydrophobicContact CD2-CG 4.26Å; L164-W192 HydrophobicContact CB-CD2 4.21Å; L164-W192 HydrophobicContact CB-CG 4.34Å; L164-W192 HydrophobicContact CB-CZ2 4.25Å; L164-W192 HydrophobicContact CD1-CB 4.46Å; L164-W192 HydrophobicContact CD1-CD2 3.79Å; L164-W192 HydrophobicContact CD1-CE3 3.92Å; L164-W192 HydrophobicContact CD1-CG 4.04Å; L164-W192 HydrophobicContact CD1-CZ3 4.47Å; L164-W192 HydrophobicContact CD2-CB 4.4Å; L164-W192 HydrophobicContact CD2-CG 4.15Å; L164-W192 HydrophobicContact CG-CD2 4.43Å; L164-W192 HydrophobicContact CG-CG 4.41Å
165	N	94.4	Very high	84.7	Confident	112 Å²	112	81.7 Å²	81.7	60%	0.599	39%	0.394	S	S	*	.	H	α-helix	trans	-61.4	-46.2	-170.3	-68.9	-17.9	0	0	0	112.2	L167 L168 D169	N165-L167 VanDerWaalsContact C-N 3.31Å; N165-L167 PolarHBondContact O-N 2.91Å; N165-L168 CarbonylContact O-C 3.49Å; N165-L168 WeakPolarHBondContact O-CB 3.32Å; N165-L168 PolarHBondContact O-N 3.23Å; N165-L168 VanDerWaalsContact O-N 3.08Å; N165-D169 VanDerWaalsContact O-CG 3.26Å; N165-D169 PolarHBondContact O-N 3.39Å
166	Y	93.5	Very high	85.8	Confident	139 Å²	139	79.5 Å²	79.5	55%	0.545	39%	0.386	S	S	.	.	H	α-helix	trans	-65	-33.9	177.9	-57.2	-57.5	0	0	0	113.1	E163 L164 L168 D169 L170 Y290	E163-Y166 HydrophobicContact CB-CD2 3.89Å; E163-Y166 HydrophobicContact CB-CE2 4.29Å; E163-Y166 WeakPolarHBondContact OE2-CE2 3.36Å; L164-Y166 PolarHBondContact O-N 2.81Å; Y166-L168 VanDerWaalsContact C-N 3.34Å; Y166-D169 PolarHBondContact O-N 2.93Å; Y166-L170 WeakPolarHBondContact O-CG 3.45Å; Y166-L170 PolarHBondContact O-N 3.06Å; Y166-Y290 WeakPolarHBondContact CB-OH 3.34Å
167	L	94.9	Very high	86.2	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-63.9	-41.7	172.5	174.3	58	0	0	0	111.3	L164 N165 D169 L170 V188 W192 I286 T287 Y290	L164-L167 WeakPolarHBondContact O-CB 3.46Å; L164-L167 PolarHBondContact O-N 3.5Å; L164-L167 VanDerWaalsContact O-N 3.16Å; N165-L167 VanDerWaalsContact C-N 3.31Å; N165-L167 PolarHBondContact O-N 2.91Å; L167-D169 VanDerWaalsContact C-N 3.3Å; L167-D169 PolarHBondContact O-N 3.32Å; L167-L170 WeakPolarHBondContact O-CB 3.47Å; L167-L170 PolarHBondContact O-N 3.37Å; L167-V188 HydrophobicContact CD2-CG1 3.55Å; L167-V188 HydrophobicContact CG-CG1 4.32Å; L167-W192 HydrophobicContact CD2-CE3 4.23Å; L167-W192 HydrophobicContact CD2-CH2 4.13Å; L167-W192 HydrophobicContact CD2-CZ3 3.51Å; L167-I286 HydrophobicContact CD1-CG2 3.97Å; L167-T287 HydrophobicContact CD2-CG2 3.99Å; L167-Y290 HydrophobicContact CB-CD1 3.7Å; L167-Y290 HydrophobicContact CB-CD2 4.27Å; L167-Y290 HydrophobicContact CB-CE1 3.63Å; L167-Y290 HydrophobicContact CB-CE2 4.22Å; L167-Y290 HydrophobicContact CB-CG 4.02Å; L167-Y290 HydrophobicContact CD1-CD1 4.13Å; L167-Y290 HydrophobicContact CD1-CD2 4.38Å; L167-Y290 HydrophobicContact CD1-CG 3.85Å; L167-Y290 HydrophobicContact CD2-CD1 3.93Å; L167-Y290 HydrophobicContact CD2-CE1 4.44Å; L167-Y290 HydrophobicContact CD2-CG 4.48Å; L167-Y290 HydrophobicContact CG-CD1 4.13Å; L167-Y290 HydrophobicContact CG-CG 4.33Å
168	L	94.4	Very high	86.3	Confident	11 Å²	11	70.1 Å²	70.1	6%	0.058	36%	0.355	C	S	.	.	H	α-helix	trans	-65.5	-35.8	175.4	-64.9	-179.9	0	0	0	111.1	L164 N165 Y166 L170 L171 R185 K189	L164-L168 HydrophobicContact CD1-CD1 4.24Å; L164-L168 HydrophobicContact CD1-CD2 4.2Å; L164-L168 HydrophobicContact CD1-CG 3.93Å; L164-L168 HydrophobicContact CD2-CD1 4.34Å; L164-L168 HydrophobicContact CG-CD1 3.87Å; L164-L168 HydrophobicContact CG-CG 4.04Å; L164-L168 WeakPolarHBondContact O-CG 3.41Å; L164-L168 PolarHBondContact O-N 2.91Å; N165-L168 CarbonylContact O-C 3.49Å; N165-L168 WeakPolarHBondContact O-CB 3.32Å; N165-L168 PolarHBondContact O-N 3.23Å; N165-L168 VanDerWaalsContact O-N 3.08Å; Y166-L168 VanDerWaalsContact C-N 3.34Å; L168-L170 VanDerWaalsContact C-N 3.31Å; L168-L170 PolarHBondContact O-N 3.45Å; L168-L171 CarbonylContact O-C 3.49Å; L168-L171 PolarHBondContact O-N 2.84Å; L168-L171 VanDerWaalsContact O-N 3.13Å; L168-R185 HydrophobicContact CD2-CB 4.13Å; L168-R185 HydrophobicContact CD2-CG 4.11Å; L168-R185 PolarHBondContact O-NH1 3.02Å; L168-K189 HydrophobicContact CD1-CG 4.31Å; L168-K189 HydrophobicContact CD2-CG 4.45Å
169	D	91.7	Very high	86	Confident	107 Å²	107	72.4 Å²	72.4	57%	0.572	37%	0.368	S	S	*	.	H	α-helix	trans	-68.2	-30.7	177.3	-64.5	-23	0	0	0	112.5	N165 Y166 L167 L171	N165-D169 VanDerWaalsContact O-CG 3.26Å; N165-D169 PolarHBondContact O-N 3.39Å; Y166-D169 PolarHBondContact O-N 2.93Å; L167-D169 VanDerWaalsContact C-N 3.3Å; L167-D169 PolarHBondContact O-N 3.32Å; D169-L171 PolarHBondContact O-N 2.88Å
170	L	89.9	Confident	85.9	Confident	57 Å²	57	65.2 Å²	65.2	30%	0.298	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.6	171.6	-71.4	173.1	0	0	0	113.6	Y166 L167 L168 P172 Y290 L296	Y166-L170 WeakPolarHBondContact O-CG 3.45Å; Y166-L170 PolarHBondContact O-N 3.06Å; L167-L170 WeakPolarHBondContact O-CB 3.47Å; L167-L170 PolarHBondContact O-N 3.37Å; L168-L170 VanDerWaalsContact C-N 3.31Å; L168-L170 PolarHBondContact O-N 3.45Å; L170-P172 WeakPolarHBondContact O-CD 3.21Å; L170-Y290 HydrophobicContact CD1-CD2 3.77Å; L170-Y290 HydrophobicContact CD1-CE2 4.26Å; L170-L296 HydrophobicContact CD1-CB 4.48Å; L170-L296 HydrophobicContact CD1-CD1 4.42Å
171	L	86.8	Confident	85.6	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.01	33%	0.327	C	S	.	.	S	Bend	trans	-104.4	69.7	175.2	-63.5	174.6	0	0	0	109.6	L168 D169 N181 M184 R185 I286 I298	L168-L171 CarbonylContact O-C 3.49Å; L168-L171 PolarHBondContact O-N 2.84Å; L168-L171 VanDerWaalsContact O-N 3.13Å; D169-L171 PolarHBondContact O-N 2.88Å; L171-N181 VanDerWaalsContact C-ND2 3.34Å; L171-N181 PolarHBondContact O-ND2 3.44Å; L171-M184 HydrophobicContact CD1-CB 4.22Å; L171-M184 HydrophobicContact CD2-CE 4.3Å; L171-M184 HydrophobicContact CD2-SD 4.43Å; L171-R185 HydrophobicContact CB-CG 4.36Å; L171-R185 HydrophobicContact CD1-CG 4.41Å; L171-R185 PolarHBondContact O-NH1 2.95Å; L171-I286 HydrophobicContact CD2-CD1 4.22Å; L171-I286 HydrophobicContact CD2-CG2 4.43Å; L171-I298 HydrophobicContact CD2-CD1 3.8Å
172	P	66.5	Low	85.2	Confident	74 Å²	74	68.3 Å²	68.3	48%	0.481	34%	0.344	S	S	.	.			trans	-66.2	143.2	-175.1	29.1	-36	0	0	0	110.6	L170 N174 N181	L170-P172 WeakPolarHBondContact O-CD 3.21Å; P172-N174 VanDerWaalsContact C-N 3.33Å; P172-N174 PolarHBondContact O-N 2.87Å; P172-N181 PolarHBondContact O-ND2 2.83Å
173	A	66.4	Low	84.9	Confident	70 Å²	70	63.8 Å²	63.8	58%	0.579	33%	0.327	S	S	*	.			trans	-68.3	92.1	172.7	0	0	0	0	0	109.3	L178	A173-L178 HydrophobicContact CB-CD2 4.42Å
174	N	72.4	Confident	84.7	Confident	58 Å²	58	58.6 Å²	58.6	31%	0.31	30%	0.303	S	S	.	.			trans	-74.4	131.2	164.4	-172.3	-10.4	0	0	0	107.9	P172 N176 H177 L178	P172-N174 VanDerWaalsContact C-N 3.33Å; P172-N174 PolarHBondContact O-N 2.87Å; N174-N176 PolarHBondContact O-N 3.11Å; N174-N176 PolarHBondContact OD1-N 3.37Å; N174-H177 HydrophobicContact CB-CB 4.31Å; N174-H177 PolarHBondContact ND2-CD2 3.39Å; N174-H177 VanDerWaalsContact ND2-CD2 3.25Å; N174-H177 PolarHBondContact ND2-NE2 2.79Å; N174-H177 CarbonylContact O-C 3.52Å; N174-H177 PolarHBondContact O-N 3.19Å; N174-L178 PolarHBondContact O-N 3.34Å
175	K	70.4	Confident	84.5	Confident	178 Å²	178	59.6 Å²	59.6	77%	0.774	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-27.9	178.2	-68.7	-175.5	180	179.6	0	112.6	L178	K175-L178 WeakPolarHBondContact O-CD1 3.5Å; K175-L178 WeakPolarHBondContact O-CG 3.48Å
176	N	74.8	Confident	84.4	Confident	73 Å²	73	56.9 Å²	56.9	39%	0.39	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-15.7	-178	-58.9	-14.9	0	0	0	113.5	N174 D259 N264	N174-N176 PolarHBondContact O-N 3.11Å; N174-N176 PolarHBondContact OD1-N 3.37Å; N176-D259 WeakPolarHBondContact CB-OD1 3.21Å; N176-D259 WeakPolarHBondContact CB-OD2 2.95Å; N176-D259 VanDerWaalsContact CG-OD2 3.27Å; N176-D259 PolarHBondContact ND2-OD2 3.5Å; N176-N264 PolarHBondContact O-ND2 3.13Å; N176-N264 VanDerWaalsContact O-ND2 3.15Å
177	H	80	Confident	84.3	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.262	C	S	.	.	S	Bend	trans	-118.8	31.2	-178.2	-49.4	-48.7	0	0	0	112.4	N174 V179 S180 N181 L257 D259 E267 Y300	N174-H177 HydrophobicContact CB-CB 4.31Å; N174-H177 PolarHBondContact ND2-CD2 3.39Å; N174-H177 VanDerWaalsContact ND2-CD2 3.25Å; N174-H177 PolarHBondContact ND2-NE2 2.79Å; N174-H177 CarbonylContact O-C 3.52Å; N174-H177 PolarHBondContact O-N 3.19Å; H177-V179 VanDerWaalsContact C-N 3.29Å; H177-V179 PolarHBondContact O-N 2.99Å; H177-S180 PolarHBondContact O-OG 2.67Å; H177-N181 WeakPolarHBondContact O-CB 3.47Å; H177-N181 PolarHBondContact O-N 2.95Å; H177-L257 PolarHBondContact CE1-O 3.06Å; H177-L257 PolarHBondContact ND1-O 2.84Å; H177-D259 IonicContact CE1-OD1 3.89Å; H177-D259 PolarHBondContact CE1-OD1 2.98Å; H177-D259 IonicContact ND1-OD1 2.67Å; H177-E267 WeakPolarHBondContact CA-OE1 3.27Å; H177-E267 IonicContact ND1-OE1 3.71Å; H177-Y300 AromaticContact CD2-CD2 3.34Å; H177-Y300 WeakPolarHBondContact CD2-CD2 3.3Å; H177-Y300 AromaticContact CD2-CE2 3.73Å; H177-Y300 AromaticContact CD2-CG 3.54Å; H177-Y300 WeakPolarHBondContact NE2-CB 3.46Å; H177-Y300 AromaticContact NE2-CD2 3.56Å; H177-Y300 AromaticContact NE2-CG 3.47Å
178	L	82	Confident	84.3	Confident	96 Å²	96	50.3 Å²	50.3	50%	0.503	26%	0.262	S	S	.	.	H	α-helix	trans	-60.3	-37.4	-172.7	-70.3	172.2	0	0	0	112.7	A173 N174 K175 F182	A173-L178 HydrophobicContact CB-CD2 4.42Å; N174-L178 PolarHBondContact O-N 3.34Å; K175-L178 WeakPolarHBondContact O-CD1 3.5Å; K175-L178 WeakPolarHBondContact O-CG 3.48Å; L178-F182 WeakPolarHBondContact O-CB 3.47Å; L178-F182 PolarHBondContact O-N 2.91Å
179	V	82.9	Confident	84.4	Confident	56 Å²	56	54 Å²	54	34%	0.339	28%	0.278	S	S	.	.	H	α-helix	trans	-78.6	-46.9	-174.1	-169.8	0	0	0	0	110.4	H177 F182 F183 E267 V270	H177-V179 VanDerWaalsContact C-N 3.29Å; H177-V179 PolarHBondContact O-N 2.99Å; V179-F182 PolarHBondContact O-N 3.44Å; V179-F183 WeakPolarHBondContact O-CB 3.34Å; V179-F183 PolarHBondContact O-N 2.85Å; V179-E267 WeakPolarHBondContact CA-OE2 3.35Å; V179-E267 VanDerWaalsContact CB-OE2 3.3Å; V179-E267 WeakPolarHBondContact CB-OE2 3.3Å; V179-E267 PolarHBondContact N-OE2 3.42Å; V179-E267 VanDerWaalsContact N-OE2 3.09Å; V179-V270 HydrophobicContact CB-CG1 4.4Å; V179-V270 HydrophobicContact CG1-CB 4.34Å; V179-V270 HydrophobicContact CG1-CG1 3.7Å
180	S	86.2	Confident	84.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-43.6	173.8	62.6	0	0	0	0	111.4	H177 F182 F183 M184 E267	H177-S180 PolarHBondContact O-OG 2.67Å; S180-F182 PolarHBondContact O-N 3.06Å; S180-F183 WeakPolarHBondContact O-CB 2.86Å; S180-F183 PolarHBondContact O-N 3.49Å; S180-M184 VanDerWaalsContact O-CG 3.26Å; S180-M184 WeakPolarHBondContact O-CG 3.32Å; S180-M184 PolarHBondContact O-N 3.04Å; S180-E267 WeakPolarHBondContact CB-OE1 3.33Å; S180-E267 PolarHBondContact N-OE2 3.34Å; S180-E267 PolarHBondContact OG-OE1 3.34Å
181	N	87.8	Confident	84.6	Confident	7 Å²	7	49 Å²	49	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-45.2	177.5	-174.7	-91.5	0	0	0	111.6	L171 P172 H177 F183 M184 R185	L171-N181 VanDerWaalsContact C-ND2 3.34Å; L171-N181 PolarHBondContact O-ND2 3.44Å; P172-N181 PolarHBondContact O-ND2 2.83Å; H177-N181 WeakPolarHBondContact O-CB 3.47Å; H177-N181 PolarHBondContact O-N 2.95Å; N181-F183 PolarHBondContact O-N 3.17Å; N181-M184 PolarHBondContact O-N 2.85Å; N181-R185 WeakPolarHBondContact O-CB 3.07Å; N181-R185 VanDerWaalsContact O-CG 3.22Å; N181-R185 WeakPolarHBondContact O-CG 3.19Å; N181-R185 PolarHBondContact O-N 2.62Å; N181-R185 WeakPolarHBondContact OD1-CD 3.49Å
182	F	87.9	Confident	85	Confident	131 Å²	131	49.9 Å²	49.9	58%	0.575	25%	0.251	S	S	*	.	H	α-helix	trans	-58.3	-48.1	173.8	179.3	-97.8	0	0	0	111.3	L178 V179 S180 M184 R185 E186	L178-F182 WeakPolarHBondContact O-CB 3.47Å; L178-F182 PolarHBondContact O-N 2.91Å; V179-F182 PolarHBondContact O-N 3.44Å; S180-F182 PolarHBondContact O-N 3.06Å; F182-M184 PolarHBondContact O-N 3.17Å; F182-R185 PolarHBondContact O-N 3.02Å; F182-E186 HydrophobicContact CD1-CG 4.27Å; F182-E186 HydrophobicContact CD2-CG 4.07Å; F182-E186 HydrophobicContact CE1-CG 3.92Å; F182-E186 HydrophobicContact CE2-CG 3.71Å; F182-E186 HydrophobicContact CG-CG 4.34Å; F182-E186 HydrophobicContact CZ-CG 3.63Å; F182-E186 WeakPolarHBondContact O-CB 3.39Å; F182-E186 WeakPolarHBondContact O-CG 3.4Å; F182-E186 PolarHBondContact O-N 3.14Å
183	F	88.5	Confident	86.4	Confident	19 Å²	19	50.6 Å²	50.6	8%	0.083	26%	0.255	C	S	.	.	H	α-helix	trans	-56.4	-51.2	176.8	173.7	-89.8	0	0	0	112.1	V179 S180 N181 E186 R187 L276 L279 V280 Y461	V179-F183 WeakPolarHBondContact O-CB 3.34Å; V179-F183 PolarHBondContact O-N 2.85Å; S180-F183 WeakPolarHBondContact O-CB 2.86Å; S180-F183 PolarHBondContact O-N 3.49Å; N181-F183 PolarHBondContact O-N 3.17Å; F183-E186 PolarHBondContact O-N 2.94Å; F183-R187 VanDerWaalsContact O-CB 3.31Å; F183-R187 WeakPolarHBondContact O-CB 3.1Å; F183-R187 PolarHBondContact O-N 3.34Å; F183-L276 HydrophobicContact CD2-CD1 4.43Å; F183-L276 HydrophobicContact CD2-CD2 4.16Å; F183-L276 HydrophobicContact CE2-CB 4.48Å; F183-L276 HydrophobicContact CE2-CD1 3.88Å; F183-L276 HydrophobicContact CE2-CD2 4.11Å; F183-L276 HydrophobicContact CE2-CG 4.37Å; F183-L276 HydrophobicContact CZ-CB 4.32Å; F183-L276 HydrophobicContact CZ-CD2 4.46Å; F183-L279 HydrophobicContact CD1-CB 3.99Å; F183-L279 HydrophobicContact CD1-CD1 4.05Å; F183-L279 HydrophobicContact CE1-CB 3.79Å; F183-V280 HydrophobicContact CE1-CG2 4.22Å; F183-V280 HydrophobicContact CZ-CG2 3.86Å; F183-Y461 HydrophobicContact CD2-CD1 4.39Å; F183-Y461 AromaticContact CE2-CD1 3.7Å; F183-Y461 HydrophobicContact CE2-CD1 3.7Å; F183-Y461 AromaticContact CE2-CE1 3.9Å; F183-Y461 HydrophobicContact CE2-CE1 3.9Å
184	M	91	Very high	87.8	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-49.4	-179.3	-65.8	-169.4	-74.4	0	0	110.6	L171 S180 N181 F182 E186 R187 V188 L279 T283	L171-M184 HydrophobicContact CD1-CB 4.22Å; L171-M184 HydrophobicContact CD2-CE 4.3Å; L171-M184 HydrophobicContact CD2-SD 4.43Å; S180-M184 VanDerWaalsContact O-CG 3.26Å; S180-M184 WeakPolarHBondContact O-CG 3.32Å; S180-M184 PolarHBondContact O-N 3.04Å; N181-M184 PolarHBondContact O-N 2.85Å; F182-M184 PolarHBondContact O-N 3.17Å; M184-E186 PolarHBondContact O-N 3.06Å; M184-R187 PolarHBondContact O-N 2.99Å; M184-V188 VanDerWaalsContact O-CG2 3.3Å; M184-V188 WeakPolarHBondContact O-CG2 3.26Å; M184-V188 PolarHBondContact O-N 2.91Å; M184-L279 HydrophobicContact CG-CD2 4.27Å; M184-L279 HydrophobicContact SD-CD2 4.3Å; M184-T283 HydrophobicContact CB-CG2 4.24Å; M184-T283 VanDerWaalsContact CG-OG1 3.29Å; M184-T283 WeakPolarHBondContact CG-OG1 3.28Å
185	R	93.1	Very high	89	Confident	60 Å²	60	46.3 Å²	46.3	23%	0.226	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-46.3	-179.7	-69.8	173.5	76.2	93	4.9	112.1	L168 L171 N181 F182 V188 K189	L168-R185 HydrophobicContact CD2-CB 4.13Å; L168-R185 HydrophobicContact CD2-CG 4.11Å; L168-R185 PolarHBondContact O-NH1 3.02Å; L171-R185 HydrophobicContact CB-CG 4.36Å; L171-R185 HydrophobicContact CD1-CG 4.41Å; L171-R185 PolarHBondContact O-NH1 2.95Å; N181-R185 WeakPolarHBondContact O-CB 3.07Å; N181-R185 VanDerWaalsContact O-CG 3.22Å; N181-R185 WeakPolarHBondContact O-CG 3.19Å; N181-R185 PolarHBondContact O-N 2.62Å; N181-R185 WeakPolarHBondContact OD1-CD 3.49Å; F182-R185 PolarHBondContact O-N 3.02Å; R185-V188 PolarHBondContact O-N 3.46Å; R185-K189 VanDerWaalsContact O-CG 3.28Å; R185-K189 WeakPolarHBondContact O-CG 3.47Å; R185-K189 PolarHBondContact O-N 3.37Å
186	E	91.2	Very high	90.3	Very high	54 Å²	54	40.6 Å²	40.6	25%	0.252	20%	0.2	S	C	.	.	H	α-helix	trans	-68.5	-37.1	-179.8	-68.6	-53.8	118.2	0	0	111.9	F182 F183 M184 K189 R190	F182-E186 HydrophobicContact CD1-CG 4.27Å; F182-E186 HydrophobicContact CD2-CG 4.07Å; F182-E186 HydrophobicContact CE1-CG 3.92Å; F182-E186 HydrophobicContact CE2-CG 3.71Å; F182-E186 HydrophobicContact CG-CG 4.34Å; F182-E186 HydrophobicContact CZ-CG 3.63Å; F182-E186 WeakPolarHBondContact O-CB 3.39Å; F182-E186 WeakPolarHBondContact O-CG 3.4Å; F182-E186 PolarHBondContact O-N 3.14Å; F183-E186 PolarHBondContact O-N 2.94Å; M184-E186 PolarHBondContact O-N 3.06Å; E186-K189 PolarHBondContact O-N 2.76Å; E186-K189 WeakPolarHBondContact OE1-CD 3.32Å; E186-K189 IonicContact OE1-NZ 3.37Å; E186-K189 PolarHBondContact OE1-NZ 3.25Å; E186-R190 VanDerWaalsContact C-NH1 3.31Å; E186-R190 WeakPolarHBondContact O-CG 3.21Å; E186-R190 PolarHBondContact O-N 2.83Å; E186-R190 VanDerWaalsContact O-N 3.07Å; E186-R190 PolarHBondContact O-NH1 2.93Å
187	R	92.7	Very high	91.3	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-50.1	172.8	179.9	176.7	173.7	86.9	-6.8	111.4	F183 M184 K189 R190 I191 V280 T283 D284 V394 E396 E489	F183-R187 VanDerWaalsContact O-CB 3.31Å; F183-R187 WeakPolarHBondContact O-CB 3.1Å; F183-R187 PolarHBondContact O-N 3.34Å; M184-R187 PolarHBondContact O-N 2.99Å; R187-K189 VanDerWaalsContact C-N 3.33Å; R187-K189 PolarHBondContact O-N 2.87Å; R187-R190 PolarHBondContact O-N 3.24Å; R187-I191 HydrophobicContact CG-CD1 3.65Å; R187-I191 HydrophobicContact CG-CG1 4.46Å; R187-I191 VanDerWaalsContact CZ-CD1 3.49Å; R187-I191 WeakPolarHBondContact O-CG1 3.39Å; R187-I191 PolarHBondContact O-N 3.35Å; R187-V280 VanDerWaalsContact NH2-CG1 3.33Å; R187-T283 HydrophobicContact CG-CG2 4.5Å; R187-D284 IonicContact CZ-OD1 3.37Å; R187-D284 IonicContact CZ-OD2 2.68Å; R187-D284 IonicContact NE-OD1 3.57Å; R187-D284 PolarHBondContact NE-OD1 3.22Å; R187-D284 IonicContact NE-OD2 3.54Å; R187-D284 IonicContact NH2-OD1 2.92Å; R187-D284 PolarHBondContact NH2-OD1 3.46Å; R187-D284 IonicContact NH2-OD2 2.85Å; R187-D284 PolarHBondContact NH2-OD2 3.19Å; R187-V394 PolarHBondContact NH2-O 3.45Å; R187-E396 IonicContact NH1-OE2 3.93Å; R187-E396 PolarHBondContact NH1-OE2 2.86Å; R187-E489 IonicContact NH1-OE1 3.67Å; R187-E489 PolarHBondContact NH1-OE1 3.37Å
188	V	94.6	Very high	92.1	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-57.1	-48	178.3	174	0	0	0	0	110.3	L164 L167 M184 R185 R190 I191 W192 T283 T287	L164-V188 HydrophobicContact CD1-CG1 3.54Å; L167-V188 HydrophobicContact CD2-CG1 3.55Å; L167-V188 HydrophobicContact CG-CG1 4.32Å; M184-V188 VanDerWaalsContact O-CG2 3.3Å; M184-V188 WeakPolarHBondContact O-CG2 3.26Å; M184-V188 PolarHBondContact O-N 2.91Å; R185-V188 PolarHBondContact O-N 3.46Å; V188-R190 PolarHBondContact O-N 3.02Å; V188-I191 PolarHBondContact O-N 3.41Å; V188-W192 HydrophobicContact CG1-CE3 4.03Å; V188-W192 WeakPolarHBondContact O-CA 3.41Å; V188-W192 VanDerWaalsContact O-CB 3.29Å; V188-W192 WeakPolarHBondContact O-CB 3.44Å; V188-W192 PolarHBondContact O-N 3.08Å; V188-T283 HydrophobicContact CG2-CG2 3.47Å; V188-T283 VanDerWaalsContact CG2-CG2 3.47Å; V188-T287 WeakPolarHBondContact CG2-OG1 3.31Å
189	K	94.9	Very high	92.7	Very high	88 Å²	88	34.9 Å²	34.9	38%	0.383	18%	0.177	S	C	.	.	H	α-helix	trans	-56.9	-45	178.4	-74.3	172.2	-175.1	174.2	0	112.8	L164 L168 R185 E186 R187	L164-K189 HydrophobicContact CD2-CG 4.26Å; L168-K189 HydrophobicContact CD1-CG 4.31Å; L168-K189 HydrophobicContact CD2-CG 4.45Å; R185-K189 VanDerWaalsContact O-CG 3.28Å; R185-K189 WeakPolarHBondContact O-CG 3.47Å; R185-K189 PolarHBondContact O-N 3.37Å; E186-K189 PolarHBondContact O-N 2.76Å; E186-K189 WeakPolarHBondContact OE1-CD 3.32Å; E186-K189 IonicContact OE1-NZ 3.37Å; E186-K189 PolarHBondContact OE1-NZ 3.25Å; R187-K189 VanDerWaalsContact C-N 3.33Å; R187-K189 PolarHBondContact O-N 2.87Å
190	R	92.5	Very high	93.3	Very high	53 Å²	53	35.3 Å²	35.3	20%	0.2	18%	0.175	C	C	.	.	H	α-helix	trans	-66.5	-41.1	-178.9	-71.7	-170.2	-45.9	-87.7	-1.4	112.5	E186 R187 V188 E396	E186-R190 VanDerWaalsContact C-NH1 3.31Å; E186-R190 WeakPolarHBondContact O-CG 3.21Å; E186-R190 PolarHBondContact O-N 2.83Å; E186-R190 VanDerWaalsContact O-N 3.07Å; E186-R190 PolarHBondContact O-NH1 2.93Å; R187-R190 PolarHBondContact O-N 3.24Å; V188-R190 PolarHBondContact O-N 3.02Å; R190-E396 IonicContact CZ-OE1 3.52Å; R190-E396 IonicContact CZ-OE2 3.6Å; R190-E396 IonicContact NE-OE1 3.08Å; R190-E396 PolarHBondContact NE-OE1 3.49Å; R190-E396 IonicContact NE-OE2 3.51Å; R190-E396 IonicContact NH2-OE1 3.96Å; R190-E396 PolarHBondContact NH2-OE1 2.93Å; R190-E396 IonicContact NH2-OE2 2.67Å; R190-E396 PolarHBondContact NH2-OE2 3.48Å; R190-E396 VanDerWaalsContact NH2-OE2 3.08Å
191	I	93.7	Very high	93.6	Very high	7 Å²	7	39 Å²	39	4%	0.036	19%	0.193	C	C	.	.	H	α-helix	trans	-90.7	-12	-174.4	-52.5	174.6	0	0	0	111.8	R187 V188 P193 D194 W195 V394 E396	R187-I191 HydrophobicContact CG-CD1 3.65Å; R187-I191 HydrophobicContact CG-CG1 4.46Å; R187-I191 VanDerWaalsContact CZ-CD1 3.49Å; R187-I191 WeakPolarHBondContact O-CG1 3.39Å; R187-I191 PolarHBondContact O-N 3.35Å; V188-I191 PolarHBondContact O-N 3.41Å; I191-P193 VanDerWaalsContact C-CD 3.41Å; I191-P193 VanDerWaalsContact C-N 3.32Å; I191-P193 VanDerWaalsContact O-N 3.13Å; I191-D194 HydrophobicContact CG2-CB 4.16Å; I191-D194 WeakPolarHBondContact O-CA 3.34Å; I191-D194 WeakPolarHBondContact O-CB 3.38Å; I191-D194 PolarHBondContact O-N 3.25Å; I191-W195 PolarHBondContact O-N 2.87Å; I191-V394 HydrophobicContact CG2-CG1 4.25Å; I191-E396 HydrophobicContact CD1-CB 3.69Å; I191-E396 HydrophobicContact CD1-CG 3.76Å; I191-E396 HydrophobicContact CG1-CB 4.21Å; I191-E396 HydrophobicContact CG1-CG 3.75Å
192	W	96.5	Very high	93.9	Very high	20 Å²	20	38.7 Å²	38.7	8%	0.076	19%	0.191	C	C	.	.	H	α-helix	trans	-48.7	-42.5	-176.1	-167.5	-112.1	0	0	0	114.8	R162 L164 L167 V188 D194 W195 L196 T287 Y290 I291	R162-W192 WeakPolarHBondContact O-CZ2 3.33Å; L164-W192 HydrophobicContact CB-CD2 4.21Å; L164-W192 HydrophobicContact CB-CG 4.34Å; L164-W192 HydrophobicContact CB-CZ2 4.25Å; L164-W192 HydrophobicContact CD1-CB 4.46Å; L164-W192 HydrophobicContact CD1-CD2 3.79Å; L164-W192 HydrophobicContact CD1-CE3 3.92Å; L164-W192 HydrophobicContact CD1-CG 4.04Å; L164-W192 HydrophobicContact CD1-CZ3 4.47Å; L164-W192 HydrophobicContact CD2-CB 4.4Å; L164-W192 HydrophobicContact CD2-CG 4.15Å; L164-W192 HydrophobicContact CG-CD2 4.43Å; L164-W192 HydrophobicContact CG-CG 4.41Å; L167-W192 HydrophobicContact CD2-CE3 4.23Å; L167-W192 HydrophobicContact CD2-CH2 4.13Å; L167-W192 HydrophobicContact CD2-CZ3 3.51Å; V188-W192 HydrophobicContact CG1-CE3 4.03Å; V188-W192 WeakPolarHBondContact O-CA 3.41Å; V188-W192 VanDerWaalsContact O-CB 3.29Å; V188-W192 WeakPolarHBondContact O-CB 3.44Å; V188-W192 PolarHBondContact O-N 3.08Å; W192-D194 VanDerWaalsContact C-N 3.31Å; W192-D194 PolarHBondContact O-N 2.73Å; W192-W195 HydrophobicContact CE3-CB 4.28Å; W192-W195 WeakPolarHBondContact O-CB 3.02Å; W192-W195 PolarHBondContact O-N 2.68Å; W192-L196 HydrophobicContact CZ2-CD2 4.05Å; W192-L196 WeakPolarHBondContact O-CG 3.22Å; W192-L196 PolarHBondContact O-N 3.33Å; W192-T287 HydrophobicContact CE3-CG2 4.41Å; W192-T287 HydrophobicContact CZ3-CG2 3.92Å; W192-Y290 HydrophobicContact CH2-CD1 4.14Å; W192-Y290 AromaticContact CH2-CE1 3.93Å; W192-Y290 HydrophobicContact CH2-CE1 3.93Å; W192-I291 HydrophobicContact CH2-CD1 4.28Å; W192-I291 HydrophobicContact CH2-CG1 4Å; W192-I291 HydrophobicContact CZ3-CD1 4.03Å; W192-I291 HydrophobicContact CZ3-CG1 4.17Å
193	P	95.6	Very high	94	Very high	88 Å²	88	33.1 Å²	33.1	57%	0.571	17%	0.167	S	C	*	.	H	α-helix	trans	-60.2	-38.1	175.8	-24.2	36	0	0	0	113.6	I191 L196 A197	I191-P193 VanDerWaalsContact C-CD 3.41Å; I191-P193 VanDerWaalsContact C-N 3.32Å; I191-P193 VanDerWaalsContact O-N 3.13Å; P193-L196 PolarHBondContact O-N 2.86Å; P193-A197 WeakPolarHBondContact O-CB 3.37Å; P193-A197 PolarHBondContact O-N 2.89Å
194	D	95.6	Very high	94	Very high	39 Å²	39	35.2 Å²	35.2	21%	0.209	18%	0.179	C	C	.	.	H	α-helix	trans	-72.4	-35.1	177.4	-171.7	34.3	0	0	0	111.1	I191 W192 A197 G198 R567 P573	I191-D194 HydrophobicContact CG2-CB 4.16Å; I191-D194 WeakPolarHBondContact O-CA 3.34Å; I191-D194 WeakPolarHBondContact O-CB 3.38Å; I191-D194 PolarHBondContact O-N 3.25Å; W192-D194 VanDerWaalsContact C-N 3.31Å; W192-D194 PolarHBondContact O-N 2.73Å; D194-A197 PolarHBondContact O-N 2.95Å; D194-G198 PolarHBondContact O-N 3.09Å; D194-R567 IonicContact OD1-CZ 3.74Å; D194-R567 IonicContact OD1-NH1 3.73Å; D194-R567 IonicContact OD1-NH2 2.88Å; D194-R567 PolarHBondContact OD1-NH2 3.24Å; D194-R567 VanDerWaalsContact OD1-NH2 3.08Å; D194-R567 IonicContact OD2-CZ 3.42Å; D194-R567 IonicContact OD2-NH1 2.76Å; D194-R567 PolarHBondContact OD2-NH1 2.98Å; D194-R567 IonicContact OD2-NH2 3.14Å; D194-R567 PolarHBondContact OD2-NH2 2.71Å; D194-P573 HydrophobicContact CB-CG 4.3Å; D194-P573 WeakPolarHBondContact OD2-CG 3.44Å
195	W	97.7	Very high	93.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.4	-47.7	169.5	-80.3	109.7	0	0	0	112.4	I191 W192 G198 I199 D284 T287 A288 I291 V394 P573 L576 I577	I191-W195 PolarHBondContact O-N 2.87Å; W192-W195 HydrophobicContact CE3-CB 4.28Å; W192-W195 WeakPolarHBondContact O-CB 3.02Å; W192-W195 PolarHBondContact O-N 2.68Å; W195-G198 PolarHBondContact O-N 3.41Å; W195-I199 WeakPolarHBondContact O-CG2 3.49Å; W195-I199 PolarHBondContact O-N 3.2Å; W195-D284 HydrophobicContact CH2-CB 4.41Å; W195-D284 WeakPolarHBondContact CH2-O 3.46Å; W195-D284 HydrophobicContact CZ2-CB 3.98Å; W195-T287 HydrophobicContact CD2-CG2 3.58Å; W195-T287 VanDerWaalsContact CE2-CG2 3.42Å; W195-T287 HydrophobicContact CE3-CG2 4.1Å; W195-T287 HydrophobicContact CG-CG2 3.88Å; W195-T287 HydrophobicContact CH2-CG2 4.25Å; W195-T287 HydrophobicContact CZ2-CG2 3.8Å; W195-T287 HydrophobicContact CZ3-CG2 4.4Å; W195-A288 HydrophobicContact CH2-CB 3.87Å; W195-A288 HydrophobicContact CZ3-CB 3.92Å; W195-I291 HydrophobicContact CB-CD1 3.8Å; W195-I291 HydrophobicContact CD2-CD1 3.88Å; W195-I291 HydrophobicContact CE3-CD1 3.5Å; W195-I291 VanDerWaalsContact CE3-CD1 3.5Å; W195-I291 HydrophobicContact CG-CD1 4.05Å; W195-I291 HydrophobicContact CZ3-CD1 4.27Å; W195-V394 HydrophobicContact CH2-CG2 3.69Å; W195-V394 HydrophobicContact CZ2-CB 4.4Å; W195-V394 HydrophobicContact CZ2-CG2 3.53Å; W195-V394 HydrophobicContact CZ3-CG2 4.42Å; W195-P573 HydrophobicContact CD2-CB 3.97Å; W195-P573 HydrophobicContact CD2-CG 4.42Å; W195-P573 HydrophobicContact CE3-CB 3.65Å; W195-P573 HydrophobicContact CG-CB 4.46Å; W195-P573 HydrophobicContact CZ3-CB 4.14Å; W195-L576 HydrophobicContact CH2-CD2 3.71Å; W195-L576 HydrophobicContact CZ2-CD2 4.48Å; W195-I577 HydrophobicContact CE3-CD1 3.86Å; W195-I577 HydrophobicContact CE3-CG1 4.3Å; W195-I577 HydrophobicContact CZ3-CD1 3.88Å; W195-I577 HydrophobicContact CZ3-CG1 3.79Å
196	L	97.4	Very high	93.4	Very high	58 Å²	58	32.6 Å²	32.6	30%	0.304	17%	0.17	S	C	.	.	H	α-helix	trans	-62.5	-41.8	176.8	-68.4	-178.2	0	0	0	111.9	R162 W192 P193 I199 Q200	R162-L196 HydrophobicContact CB-CD2 3.89Å; R162-L196 HydrophobicContact CG-CD2 4.16Å; W192-L196 HydrophobicContact CZ2-CD2 4.05Å; W192-L196 WeakPolarHBondContact O-CG 3.22Å; W192-L196 PolarHBondContact O-N 3.33Å; P193-L196 PolarHBondContact O-N 2.86Å; L196-I199 VanDerWaalsContact O-CG2 3.29Å; L196-I199 WeakPolarHBondContact O-CG2 3.21Å; L196-Q200 VanDerWaalsContact O-CB 3.28Å; L196-Q200 WeakPolarHBondContact O-CB 3.41Å; L196-Q200 PolarHBondContact O-N 3.22Å
197	A	95.7	Very high	92.9	Very high	43 Å²	43	33.1 Å²	33.1	36%	0.355	17%	0.174	S	C	.	.	H	α-helix	trans	-62.4	-44.8	174.2	0	0	0	0	0	111.4	P193 D194 Q200 H201	P193-A197 WeakPolarHBondContact O-CB 3.37Å; P193-A197 PolarHBondContact O-N 2.89Å; D194-A197 PolarHBondContact O-N 2.95Å; A197-Q200 PolarHBondContact O-N 2.76Å; A197-H201 PolarHBondContact O-CD2 3.23Å; A197-H201 VanDerWaalsContact O-CD2 3.22Å; A197-H201 PolarHBondContact O-N 2.83Å
198	G	96.2	Very high	92.2	Very high	5 Å²	5	37.2 Å²	37.2	5%	0.052	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-47.4	-179.7	0	0	0	0	0	113.6	D194 W195 Q200 H201 Y202	D194-G198 PolarHBondContact O-N 3.09Å; W195-G198 PolarHBondContact O-N 3.41Å; G198-Q200 VanDerWaalsContact C-N 3.3Å; G198-Q200 PolarHBondContact O-N 2.85Å; G198-H201 PolarHBondContact O-N 2.92Å; G198-Y202 PolarHBondContact O-N 2.64Å
199	I	95.9	Very high	90.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-66.1	-34	175.5	-173.6	59	0	0	0	111.7	I160 W195 L196 Y202 I203 I291 I577	I160-I199 HydrophobicContact CD1-CD1 4.02Å; I160-I199 HydrophobicContact CG2-CD1 4.25Å; I160-I199 HydrophobicContact CG2-CG1 3.67Å; W195-I199 WeakPolarHBondContact O-CG2 3.49Å; W195-I199 PolarHBondContact O-N 3.2Å; L196-I199 VanDerWaalsContact O-CG2 3.29Å; L196-I199 WeakPolarHBondContact O-CG2 3.21Å; I199-Y202 HydrophobicContact CD1-CD1 4.06Å; I199-Y202 PolarHBondContact O-N 2.61Å; I199-I203 HydrophobicContact CD1-CD1 4.4Å; I199-I203 HydrophobicContact CD1-CG1 4.49Å; I199-I203 HydrophobicContact CG1-CD1 4Å; I199-I203 WeakPolarHBondContact O-CG1 2.95Å; I199-I203 PolarHBondContact O-N 3Å; I199-I291 HydrophobicContact CB-CG2 3.89Å; I199-I291 HydrophobicContact CD1-CG2 4.02Å; I199-I291 HydrophobicContact CG1-CG2 3.72Å; I199-I291 HydrophobicContact CG2-CG2 4.27Å; I199-I577 HydrophobicContact CB-CD1 4.03Å; I199-I577 HydrophobicContact CD1-CD1 4.33Å; I199-I577 HydrophobicContact CD1-CG2 4.04Å
200	Q	94.8	Very high	89	Confident	65 Å²	65	35.3 Å²	35.3	30%	0.304	19%	0.187	S	C	.	.	H	α-helix	trans	-67.5	-42.3	176.2	-171.8	60.1	55.3	0	0	111.7	R162 L196 A197 G198 Y202 I203 N204	R162-Q200 VanDerWaalsContact NH1-OE1 3.16Å; L196-Q200 VanDerWaalsContact O-CB 3.28Å; L196-Q200 WeakPolarHBondContact O-CB 3.41Å; L196-Q200 PolarHBondContact O-N 3.22Å; A197-Q200 PolarHBondContact O-N 2.76Å; G198-Q200 VanDerWaalsContact C-N 3.3Å; G198-Q200 PolarHBondContact O-N 2.85Å; Q200-Y202 VanDerWaalsContact C-N 3.31Å; Q200-Y202 PolarHBondContact O-N 3Å; Q200-I203 PolarHBondContact O-N 3.11Å; Q200-N204 PolarHBondContact NE2-OD1 3.04Å; Q200-N204 WeakPolarHBondContact O-CB 3.27Å; Q200-N204 PolarHBondContact O-N 3.22Å; Q200-N204 PolarHBondContact O-ND2 3.09Å; Q200-N204 PolarHBondContact O-OD1 2.79Å
201	H	93.3	Very high	87.2	Confident	78 Å²	78	35.6 Å²	35.6	36%	0.361	20%	0.196	S	C	.	.	H	α-helix	trans	-59.1	-43	171.9	-85.4	-68.5	0	0	0	112	A197 G198 N204 G205 W574 Y684	A197-H201 PolarHBondContact O-CD2 3.23Å; A197-H201 VanDerWaalsContact O-CD2 3.22Å; A197-H201 PolarHBondContact O-N 2.83Å; G198-H201 PolarHBondContact O-N 2.92Å; H201-N204 PolarHBondContact O-N 3.2Å; H201-G205 PolarHBondContact O-N 2.86Å; H201-W574 HydrophobicContact CB-CD2 4.07Å; H201-W574 HydrophobicContact CB-CE3 3.96Å; H201-W574 HydrophobicContact CB-CG 4.46Å; H201-W574 HydrophobicContact CB-CZ3 4.43Å; H201-Y684 WeakPolarHBondContact O-CE1 3.21Å
202	Y	93.2	Very high	85.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.8	-47.6	177.6	-171.4	-153.4	0	0	0	112.1	G198 I199 Q200 N204 G205 V206 P240 L242 W574 I577 E578 N581 Y681	G198-Y202 PolarHBondContact O-N 2.64Å; I199-Y202 HydrophobicContact CD1-CD1 4.06Å; I199-Y202 PolarHBondContact O-N 2.61Å; Q200-Y202 VanDerWaalsContact C-N 3.31Å; Q200-Y202 PolarHBondContact O-N 3Å; Y202-N204 PolarHBondContact O-N 3.39Å; Y202-G205 PolarHBondContact O-N 2.9Å; Y202-V206 HydrophobicContact CD2-CG2 4.17Å; Y202-V206 HydrophobicContact CE2-CG2 3.99Å; Y202-V206 WeakPolarHBondContact O-CG2 3.06Å; Y202-V206 PolarHBondContact O-N 2.85Å; Y202-P240 HydrophobicContact CE2-CB 3.83Å; Y202-P240 HydrophobicContact CE2-CG 3.76Å; Y202-P240 WeakPolarHBondContact OH-CB 3.26Å; Y202-L242 HydrophobicContact CD1-CD1 4.09Å; Y202-L242 HydrophobicContact CD1-CD2 3.83Å; Y202-L242 HydrophobicContact CE1-CD1 3.54Å; Y202-L242 HydrophobicContact CE1-CD2 3.89Å; Y202-L242 HydrophobicContact CE1-CG 4.21Å; Y202-L242 HydrophobicContact CG-CD2 4.32Å; Y202-W574 VanDerWaalsContact CB-CD1 3.45Å; Y202-W574 AromaticContact CD2-CD1 3.9Å; Y202-W574 AromaticContact CD2-NE1 3.49Å; Y202-W574 AromaticContact CG-CD1 3.82Å; Y202-W574 AromaticContact CG-NE1 3.87Å; Y202-I577 HydrophobicContact CD1-CG2 3.61Å; Y202-I577 HydrophobicContact CE1-CG2 3.83Å; Y202-E578 HydrophobicContact CE2-CB 4.33Å; Y202-E578 HydrophobicContact CE2-CG 4.41Å; Y202-N581 HydrophobicContact CE1-CB 4.38Å; Y202-N581 PolarHBondContact OH-ND2 3.36Å; Y202-Y681 AromaticContact CD2-CE2 3.76Å; Y202-Y681 HydrophobicContact CD2-CE2 3.76Å; Y202-Y681 AromaticContact CD2-CZ 3.87Å; Y202-Y681 VanDerWaalsContact CD2-OH 3.28Å; Y202-Y681 WeakPolarHBondContact CD2-OH 3.23Å; Y202-Y681 AromaticContact CE2-CE2 3.86Å; Y202-Y681 HydrophobicContact CE2-CE2 3.86Å; Y202-Y681 AromaticContact CE2-CZ 3.75Å; Y202-Y681 WeakPolarHBondContact CE2-OH 3.23Å
203	I	89.8	Confident	83	Confident	14 Å²	14	45.8 Å²	45.8	7%	0.072	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-44.7	176	-72.5	163.6	0	0	0	111.2	I160 I199 Q200 G205 V206 N207 L242 F243	I160-I203 HydrophobicContact CG1-CD1 4.49Å; I160-I203 HydrophobicContact CG2-CD1 4.44Å; I199-I203 HydrophobicContact CD1-CD1 4.4Å; I199-I203 HydrophobicContact CD1-CG1 4.49Å; I199-I203 HydrophobicContact CG1-CD1 4Å; I199-I203 WeakPolarHBondContact O-CG1 2.95Å; I199-I203 PolarHBondContact O-N 3Å; Q200-I203 PolarHBondContact O-N 3.11Å; I203-G205 VanDerWaalsContact C-N 3.3Å; I203-G205 PolarHBondContact O-N 3.06Å; I203-V206 PolarHBondContact O-N 2.93Å; I203-N207 WeakPolarHBondContact O-CB 3.38Å; I203-N207 VanDerWaalsContact O-CG 3.25Å; I203-N207 PolarHBondContact O-N 2.92Å; I203-L242 HydrophobicContact CG1-CD2 3.82Å; I203-F243 HydrophobicContact CG1-CZ 4.16Å; I203-F243 HydrophobicContact CG2-CZ 4.09Å
204	N	88.8	Confident	81	Confident	63 Å²	63	42.9 Å²	42.9	34%	0.337	24%	0.239	S	C	.	.	H	α-helix	trans	-59.6	-42.3	178.4	-69.3	-9.3	0	0	0	111.4	Q200 H201 Y202 N207 F208 Y684	Q200-N204 PolarHBondContact NE2-OD1 3.04Å; Q200-N204 WeakPolarHBondContact O-CB 3.27Å; Q200-N204 PolarHBondContact O-N 3.22Å; Q200-N204 PolarHBondContact O-ND2 3.09Å; Q200-N204 PolarHBondContact O-OD1 2.79Å; H201-N204 PolarHBondContact O-N 3.2Å; Y202-N204 PolarHBondContact O-N 3.39Å; N204-N207 PolarHBondContact O-N 3.44Å; N204-F208 WeakPolarHBondContact O-CB 3.48Å; N204-F208 PolarHBondContact O-N 3.07Å; N204-Y684 HydrophobicContact CB-CE2 4.32Å; N204-Y684 WeakPolarHBondContact CB-OH 3.25Å
205	G	87.2	Confident	79.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.4	-42.5	176.4	0	0	0	0	0	113.5	H201 Y202 I203 N207 F208 S209 Y681 Y684	H201-G205 PolarHBondContact O-N 2.86Å; Y202-G205 PolarHBondContact O-N 2.9Å; I203-G205 VanDerWaalsContact C-N 3.3Å; I203-G205 PolarHBondContact O-N 3.06Å; G205-N207 VanDerWaalsContact C-N 3.25Å; G205-N207 PolarHBondContact O-N 3.3Å; G205-F208 WeakPolarHBondContact O-CB 3.44Å; G205-F208 PolarHBondContact O-N 2.8Å; G205-S209 PolarHBondContact O-OG 3.35Å; G205-S209 VanDerWaalsContact O-OG 3.09Å; G205-Y681 VanDerWaalsContact C-CD2 3.47Å; G205-Y684 VanDerWaalsContact CA-CE1 3.47Å; G205-Y684 VanDerWaalsContact CA-CG 3.42Å
206	V	83.4	Confident	77.2	Confident	7 Å²	7	48.6 Å²	48.6	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-41.4	175.4	172	0	0	0	0	109.9	Y202 I203 S209 P240 L242 F243 Y681	Y202-V206 HydrophobicContact CD2-CG2 4.17Å; Y202-V206 HydrophobicContact CE2-CG2 3.99Å; Y202-V206 WeakPolarHBondContact O-CG2 3.06Å; Y202-V206 PolarHBondContact O-N 2.85Å; I203-V206 PolarHBondContact O-N 2.93Å; V206-S209 PolarHBondContact O-N 3.35Å; V206-P240 HydrophobicContact CG2-CB 4.19Å; V206-P240 HydrophobicContact CG2-CG 4.09Å; V206-L242 HydrophobicContact CG2-CB 4.23Å; V206-L242 HydrophobicContact CG2-CD2 4.13Å; V206-F243 HydrophobicContact CG1-CD2 4.21Å; V206-F243 HydrophobicContact CG1-CE2 3.92Å; V206-Y681 HydrophobicContact CG2-CD2 4.23Å; V206-Y681 HydrophobicContact CG2-CE2 4.24Å
207	N	81.2	Confident	75.3	Confident	65 Å²	65	47 Å²	47	35%	0.348	26%	0.26	S	S	.	.	H	α-helix	trans	-72.9	-30.7	179.1	-69.9	-12.4	0	0	0	113.7	I203 N204 G205 S209 L210	I203-N207 WeakPolarHBondContact O-CB 3.38Å; I203-N207 VanDerWaalsContact O-CG 3.25Å; I203-N207 PolarHBondContact O-N 2.92Å; N204-N207 PolarHBondContact O-N 3.44Å; G205-N207 VanDerWaalsContact C-N 3.25Å; G205-N207 PolarHBondContact O-N 3.3Å; N207-S209 PolarHBondContact O-N 3Å; N207-L210 PolarHBondContact O-N 3.18Å
208	F	77.4	Confident	73.2	Confident	87 Å²	87	50.5 Å²	50.5	38%	0.382	27%	0.267	S	S	.	.	H	α-helix	trans	-60.8	-23.7	175.3	-177.5	-93.3	0	0	0	112.6	N204 G205 Y683 Y684	N204-F208 WeakPolarHBondContact O-CB 3.48Å; N204-F208 PolarHBondContact O-N 3.07Å; G205-F208 WeakPolarHBondContact O-CB 3.44Å; G205-F208 PolarHBondContact O-N 2.8Å; F208-Y683 AromaticContact CE1-CD1 3.81Å; F208-Y683 HydrophobicContact CE1-CD1 3.81Å; F208-Y683 HydrophobicContact CE1-CE1 4.43Å; F208-Y683 HydrophobicContact CZ-CD1 4.09Å; F208-Y683 HydrophobicContact CZ-CE1 4.25Å; F208-Y684 HydrophobicContact CB-CD2 3.79Å; F208-Y684 HydrophobicContact CB-CG 4.28Å; F208-Y684 HydrophobicContact CD1-CD2 4.31Å; F208-Y684 HydrophobicContact CD2-CD2 4.1Å; F208-Y684 AromaticContact CG-CD2 3.8Å; F208-Y684 HydrophobicContact CG-CD2 3.8Å; F208-Y684 HydrophobicContact CG-CG 4.37Å
209	S	63.2	Low	71.4	Confident	12 Å²	12	57.3 Å²	57.3	8%	0.084	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-7.9	-175.2	-50	0	0	0	0	114.1	G205 V206 N207 P211 G680 Y681	G205-S209 PolarHBondContact O-OG 3.35Å; G205-S209 VanDerWaalsContact O-OG 3.09Å; V206-S209 PolarHBondContact O-N 3.35Å; N207-S209 PolarHBondContact O-N 3Å; S209-P211 WeakPolarHBondContact O-CD 3.22Å; S209-G680 VanDerWaalsContact OG-C 3.31Å; S209-Y681 WeakPolarHBondContact OG-CA 3.28Å; S209-Y681 VanDerWaalsContact OG-CB 3.28Å; S209-Y681 WeakPolarHBondContact OG-CB 3.31Å; S209-Y681 PolarHBondContact OG-N 3.35Å
210	L	59.4	Low	69.6	Low	37 Å²	37	59 Å²	59	19%	0.194	31%	0.309	C	S	.	.	S	Bend	trans	-82.5	116.8	-178.7	-73.5	155	0	0	0	109.2	N207 L214 C217 K218	N207-L210 PolarHBondContact O-N 3.18Å; L210-L214 HydrophobicContact CD2-CB 3.97Å; L210-L214 HydrophobicContact CD2-CD2 4.24Å; L210-C217 HydrophobicContact CD2-CB 4.18Å; L210-K218 HydrophobicContact CD1-CG 4.49Å
211	P	55	Low	67.7	Low	58 Å²	58	58.9 Å²	58.9	38%	0.377	32%	0.315	S	S	.	.			trans	-55.7	151.3	168.4	-19.7	30.5	0	0	0	110.7	S209 S213 L214	S209-P211 WeakPolarHBondContact O-CD 3.22Å; P211-S213 PolarHBondContact O-N 2.62Å; P211-L214 HydrophobicContact CB-CD1 4.14Å; P211-L214 HydrophobicContact CG-CD1 3.78Å; P211-L214 WeakPolarHBondContact O-CA 3.17Å; P211-L214 PolarHBondContact O-N 3.12Å
212	D	52.8	Low	65.7	Low	144 Å²	144	60.5 Å²	60.5	77%	0.77	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-55.6	-25.2	173.4	-69.1	-29.2	0	0	0	112.3	L214 D215	D212-L214 PolarHBondContact O-N 2.97Å; D212-D215 WeakPolarHBondContact O-CB 3.44Å; D212-D215 PolarHBondContact O-N 2.78Å
213	S	49.2	Very low	63.8	Low	98 Å²	98	66.8 Å²	66.8	69%	0.685	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-70.2	-14.8	173.4	63	0	0	0	0	114.5	P211	P211-S213 PolarHBondContact O-N 2.62Å
214	L	54.5	Low	62.2	Low	27 Å²	27	69.4 Å²	69.4	14%	0.141	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-102	16.7	173.5	-80	94	0	0	0	112.3	L210 P211 D212 H216 C217	L210-L214 HydrophobicContact CD2-CB 3.97Å; L210-L214 HydrophobicContact CD2-CD2 4.24Å; P211-L214 HydrophobicContact CB-CD1 4.14Å; P211-L214 HydrophobicContact CG-CD1 3.78Å; P211-L214 WeakPolarHBondContact O-CA 3.17Å; P211-L214 PolarHBondContact O-N 3.12Å; D212-L214 PolarHBondContact O-N 2.97Å; L214-H216 PolarHBondContact O-N 3.1Å; L214-H216 PolarHBondContact O-ND1 2.82Å; L214-C217 HydrophobicContact CB-CB 4.45Å; L214-C217 VanDerWaalsContact CD2-SG 3.52Å; L214-C217 WeakPolarHBondContact O-CA 3.12Å; L214-C217 WeakPolarHBondContact O-CB 3.38Å; L214-C217 PolarHBondContact O-N 3.12Å
215	D	54.2	Low	60.5	Low	72 Å²	72	70.6 Å²	70.6	39%	0.385	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-56.7	-26.4	176	-127.1	12.4	0	0	0	112.8	D212 C217 K218 H219	D212-D215 WeakPolarHBondContact O-CB 3.44Å; D212-D215 PolarHBondContact O-N 2.78Å; D215-C217 PolarHBondContact O-N 3.5Å; D215-K218 WeakPolarHBondContact O-CB 3.34Å; D215-K218 PolarHBondContact O-N 2.83Å; D215-K218 VanDerWaalsContact O-N 3.09Å; D215-K218 WeakPolarHBondContact OD1-CD 3.21Å; D215-K218 WeakPolarHBondContact OD1-CE 3.25Å; D215-K218 IonicContact OD1-NZ 3.69Å; D215-K218 PolarHBondContact OD1-NZ 2.95Å; D215-H219 PolarHBondContact O-ND1 3.25Å
216	H	58.1	Low	58.8	Low	87 Å²	87	75.8 Å²	75.8	40%	0.403	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-59.6	-25.7	170.5	72	-10.4	0	0	0	113.4	L214 K218 H219 C220	L214-H216 PolarHBondContact O-N 3.1Å; L214-H216 PolarHBondContact O-ND1 2.82Å; H216-K218 VanDerWaalsContact C-N 3.3Å; H216-K218 PolarHBondContact O-N 2.81Å; H216-H219 CarbonylContact O-C 3.49Å; H216-H219 PolarHBondContact O-N 2.93Å; H216-C220 PolarHBondContact O-N 3.24Å; H216-C220 VanDerWaalsContact O-N 3.15Å
217	C	58.2	Low	57.7	Low	25 Å²	25	76.1 Å²	76.1	17%	0.169	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-74.3	-23	178.6	-61.4	0	0	0	0	111.9	L210 L214 D215 H219 C231	L210-C217 HydrophobicContact CD2-CB 4.18Å; L214-C217 HydrophobicContact CB-CB 4.45Å; L214-C217 VanDerWaalsContact CD2-SG 3.52Å; L214-C217 WeakPolarHBondContact O-CA 3.12Å; L214-C217 WeakPolarHBondContact O-CB 3.38Å; L214-C217 PolarHBondContact O-N 3.12Å; D215-C217 PolarHBondContact O-N 3.5Å; C217-H219 PolarHBondContact O-N 2.91Å; C217-C231 VanDerWaalsContact CA-SG 3.55Å; C217-C231 HydrophobicContact CB-CB 3.89Å; C217-C231 WeakPolarHBondContact CB-SG 3.28Å; C217-C231 WeakPolarHBondContact SG-CB 3.43Å; C217-C231 CovalentContact SG-SG 2.02Å; C217-C231 PolarHBondContact SG-SG 3.12Å
218	K	51.4	Low	56.4	Low	115 Å²	115	75.4 Å²	75.4	50%	0.5	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-69.9	-20.4	172.7	-62.5	-176.6	-172.2	155.7	0	112	L210 D215 H216	L210-K218 HydrophobicContact CD1-CG 4.49Å; D215-K218 WeakPolarHBondContact O-CB 3.34Å; D215-K218 PolarHBondContact O-N 2.83Å; D215-K218 VanDerWaalsContact O-N 3.09Å; D215-K218 WeakPolarHBondContact OD1-CD 3.21Å; D215-K218 WeakPolarHBondContact OD1-CE 3.25Å; D215-K218 IonicContact OD1-NZ 3.69Å; D215-K218 PolarHBondContact OD1-NZ 2.95Å; H216-K218 VanDerWaalsContact C-N 3.3Å; H216-K218 PolarHBondContact O-N 2.81Å
219	H	58.6	Low	55.1	Low	148 Å²	148	74.9 Å²	74.9	69%	0.685	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-121.2	14.3	-174.1	-60.1	80	0	0	0	112.8	D215 H216 C217 S221	D215-H219 PolarHBondContact O-ND1 3.25Å; H216-H219 CarbonylContact O-C 3.49Å; H216-H219 PolarHBondContact O-N 2.93Å; C217-H219 PolarHBondContact O-N 2.91Å; H219-S221 PolarHBondContact O-N 3.12Å
220	C	58.8	Low	54.5	Low	37 Å²	37	79 Å²	79	25%	0.25	44%	0.437	C	S	.	.			trans	-58.6	112	175.1	-68.9	0	0	0	0	108.5	H216 C227 C231	H216-C220 PolarHBondContact O-N 3.24Å; H216-C220 VanDerWaalsContact O-N 3.15Å; C220-C227 VanDerWaalsContact CA-SG 3.57Å; C220-C227 HydrophobicContact CB-CB 3.98Å; C220-C227 WeakPolarHBondContact CB-SG 3.47Å; C220-C227 WeakPolarHBondContact SG-CB 3.38Å; C220-C227 CovalentContact SG-SG 2.05Å; C220-C227 PolarHBondContact SG-SG 2.95Å; C220-C231 VanDerWaalsContact SG-SG 3.61Å
221	S	53.9	Low	54.4	Low	62 Å²	62	78.7 Å²	78.7	43%	0.434	44%	0.437	S	S	.	.			trans	-57.5	149.1	167.7	173.3	0	0	0	0	109.1	H219 D223 D224	H219-S221 PolarHBondContact O-N 3.12Å; S221-D223 PolarHBondContact O-N 3.25Å; S221-D223 PolarHBondContact OG-N 3.43Å; S221-D224 PolarHBondContact O-N 2.78Å; S221-D224 VanDerWaalsContact O-N 3.15Å
222	T	51.2	Low	54.2	Low	113 Å²	113	79.6 Å²	79.6	69%	0.693	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-19.8	172.8	45.9	0	0	0	0	113
223	D	53.8	Low	53.7	Low	132 Å²	132	76.2 Å²	76.2	71%	0.706	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-15.3	-173.7	-50.6	-22.3	0	0	0	112.5	S221 I225	S221-D223 PolarHBondContact O-N 3.25Å; S221-D223 PolarHBondContact OG-N 3.43Å; D223-I225 PolarHBondContact O-N 2.89Å
224	D	56.6	Low	53.5	Low	69 Å²	69	74.3 Å²	74.3	37%	0.369	41%	0.409	S	S	.	.			trans	-91.2	82	177.4	-166.9	-14.7	0	0	0	111.1	S221 T226 C227 F228	S221-D224 PolarHBondContact O-N 2.78Å; S221-D224 VanDerWaalsContact O-N 3.15Å; D224-T226 PolarHBondContact O-N 3.27Å; D224-T226 WeakPolarHBondContact OD1-CB 3.42Å; D224-T226 PolarHBondContact OD1-N 3.07Å; D224-T226 VanDerWaalsContact OD1-N 3.14Å; D224-T226 PolarHBondContact OD1-OG1 3Å; D224-C227 HydrophobicContact CB-CB 3.89Å; D224-C227 PolarHBondContact O-N 3.19Å; D224-C227 PolarHBondContact OD1-N 3.48Å; D224-C227 WeakPolarHBondContact OD2-CB 3.14Å; D224-F228 WeakPolarHBondContact O-CB 3.32Å; D224-F228 PolarHBondContact O-N 3.03Å
225	I	53	Low	53.3	Low	87 Å²	87	82 Å²	82	45%	0.446	44%	0.441	S	S	.	.	H	α-helix	trans	-59.4	-31.5	178.5	-64.4	170.9	0	0	0	111.2	D223 T229	D223-I225 PolarHBondContact O-N 2.89Å; I225-T229 VanDerWaalsContact O-CB 3.27Å; I225-T229 WeakPolarHBondContact O-CB 3.46Å; I225-T229 PolarHBondContact O-N 3.04Å; I225-T229 PolarHBondContact O-OG1 3.33Å
226	T	50.4	Low	53.3	Low	109 Å²	109	82 Å²	82	67%	0.669	44%	0.44	S	S	*	.	H	α-helix	trans	-69.9	-48.5	179.3	7.1	0	0	0	0	111.7	D224 F228 T229 L230	D224-T226 PolarHBondContact O-N 3.27Å; D224-T226 WeakPolarHBondContact OD1-CB 3.42Å; D224-T226 PolarHBondContact OD1-N 3.07Å; D224-T226 VanDerWaalsContact OD1-N 3.14Å; D224-T226 PolarHBondContact OD1-OG1 3Å; T226-F228 VanDerWaalsContact C-N 3.32Å; T226-F228 PolarHBondContact O-N 3.42Å; T226-T229 PolarHBondContact O-N 2.85Å; T226-L230 VanDerWaalsContact O-CB 3.29Å; T226-L230 WeakPolarHBondContact O-CB 3.41Å; T226-L230 PolarHBondContact O-N 2.76Å
227	C	60.1	Low	53.2	Low	15 Å²	15	84 Å²	84	10%	0.101	45%	0.453	C	S	.	.	H	α-helix	trans	-55.6	-50.5	172.1	-173.3	0	0	0	0	110.2	C220 D224 T229 L230 C231	C220-C227 VanDerWaalsContact CA-SG 3.57Å; C220-C227 HydrophobicContact CB-CB 3.98Å; C220-C227 WeakPolarHBondContact CB-SG 3.47Å; C220-C227 WeakPolarHBondContact SG-CB 3.38Å; C220-C227 CovalentContact SG-SG 2.05Å; C220-C227 PolarHBondContact SG-SG 2.95Å; D224-C227 HydrophobicContact CB-CB 3.89Å; D224-C227 PolarHBondContact O-N 3.19Å; D224-C227 PolarHBondContact OD1-N 3.48Å; D224-C227 WeakPolarHBondContact OD2-CB 3.14Å; C227-T229 PolarHBondContact O-N 3.32Å; C227-L230 PolarHBondContact O-N 2.98Å; C227-C231 WeakPolarHBondContact O-CB 3.41Å; C227-C231 PolarHBondContact O-N 2.9Å; C227-C231 PolarHBondContact O-SG 3.3Å
228	F	55.2	Low	53.4	Low	50 Å²	50	83.1 Å²	83.1	22%	0.219	45%	0.447	C	S	.	.	H	α-helix	trans	-60	-45.1	179.6	-173.1	-98.6	0	0	0	112.9	K157 D224 T226 Q232	K157-F228 HydrophobicContact CD-CE2 4.33Å; K157-F228 HydrophobicContact CD-CZ 4.1Å; K157-F228 VanDerWaalsContact NZ-CE2 3.25Å; D224-F228 WeakPolarHBondContact O-CB 3.32Å; D224-F228 PolarHBondContact O-N 3.03Å; T226-F228 VanDerWaalsContact C-N 3.32Å; T226-F228 PolarHBondContact O-N 3.42Å; F228-Q232 HydrophobicContact CD1-CG 4.45Å; F228-Q232 HydrophobicContact CE1-CG 4.3Å; F228-Q232 HydrophobicContact CZ-CG 4.46Å; F228-Q232 VanDerWaalsContact O-CB 3.3Å; F228-Q232 WeakPolarHBondContact O-CB 3.46Å; F228-Q232 VanDerWaalsContact O-CG 3.26Å; F228-Q232 WeakPolarHBondContact O-CG 3.3Å; F228-Q232 PolarHBondContact O-N 2.99Å
229	T	48.9	Very low	54.4	Low	76 Å²	76	79.2 Å²	79.2	47%	0.466	43%	0.431	S	S	.	.	H	α-helix	trans	-69.5	-39.5	-180	-51.2	0	0	0	0	111.3	I225 T226 C227 Q232 S233	I225-T229 VanDerWaalsContact O-CB 3.27Å; I225-T229 WeakPolarHBondContact O-CB 3.46Å; I225-T229 PolarHBondContact O-N 3.04Å; I225-T229 PolarHBondContact O-OG1 3.33Å; T226-T229 PolarHBondContact O-N 2.85Å; C227-T229 PolarHBondContact O-N 3.32Å; T229-Q232 PolarHBondContact O-N 3.1Å; T229-S233 WeakPolarHBondContact O-CB 3.48Å; T229-S233 PolarHBondContact O-N 3.01Å; T229-S233 PolarHBondContact O-OG 3.45Å
230	L	51.1	Low	55.6	Low	97 Å²	97	72.5 Å²	72.5	51%	0.508	40%	0.4	S	S	.	.	H	α-helix	trans	-62.9	-49.1	177.2	-167.7	74.3	0	0	0	110.6	T226 C227 Q232 S233 T234	T226-L230 VanDerWaalsContact O-CB 3.29Å; T226-L230 WeakPolarHBondContact O-CB 3.41Å; T226-L230 PolarHBondContact O-N 2.76Å; C227-L230 PolarHBondContact O-N 2.98Å; L230-Q232 VanDerWaalsContact C-N 3.29Å; L230-Q232 PolarHBondContact O-N 3.46Å; L230-S233 PolarHBondContact O-N 2.91Å; L230-S233 PolarHBondContact O-OG 2.66Å; L230-T234 PolarHBondContact O-N 3.36Å
231	C	56.3	Low	56.7	Low	31 Å²	31	73.5 Å²	73.5	21%	0.209	40%	0.401	C	S	.	.	H	α-helix	trans	-66	-26.8	177.5	-58.7	0	0	0	0	113.4	C217 C220 C227 T234	C217-C231 VanDerWaalsContact CA-SG 3.55Å; C217-C231 HydrophobicContact CB-CB 3.89Å; C217-C231 WeakPolarHBondContact CB-SG 3.28Å; C217-C231 WeakPolarHBondContact SG-CB 3.43Å; C217-C231 CovalentContact SG-SG 2.02Å; C217-C231 PolarHBondContact SG-SG 3.12Å; C220-C231 VanDerWaalsContact SG-SG 3.61Å; C227-C231 WeakPolarHBondContact O-CB 3.41Å; C227-C231 PolarHBondContact O-N 2.9Å; C227-C231 PolarHBondContact O-SG 3.3Å; C231-T234 PolarHBondContact O-OG1 2.86Å
232	Q	51.1	Low	58.2	Low	77 Å²	77	70.7 Å²	70.7	36%	0.36	38%	0.381	S	S	.	.	H	α-helix	trans	-84.4	-28.9	173.4	-76.8	-168.6	-22.5	0	0	113.4	F228 T229 L230 F241	F228-Q232 HydrophobicContact CD1-CG 4.45Å; F228-Q232 HydrophobicContact CE1-CG 4.3Å; F228-Q232 HydrophobicContact CZ-CG 4.46Å; F228-Q232 VanDerWaalsContact O-CB 3.3Å; F228-Q232 WeakPolarHBondContact O-CB 3.46Å; F228-Q232 VanDerWaalsContact O-CG 3.26Å; F228-Q232 WeakPolarHBondContact O-CG 3.3Å; F228-Q232 PolarHBondContact O-N 2.99Å; T229-Q232 PolarHBondContact O-N 3.1Å; L230-Q232 VanDerWaalsContact C-N 3.29Å; L230-Q232 PolarHBondContact O-N 3.46Å; Q232-F241 HydrophobicContact CG-CE2 4.16Å; Q232-F241 VanDerWaalsContact NE2-CE2 3.28Å; Q232-F241 VanDerWaalsContact NE2-CZ 3.35Å
233	S	42.8	Very low	59.7	Low	73 Å²	73	70.1 Å²	70.1	51%	0.51	37%	0.369	S	S	.	.	H	α-helix	trans	-77.3	-20.4	-177.2	73.1	0	0	0	0	113.4	T229 L230 K235	T229-S233 WeakPolarHBondContact O-CB 3.48Å; T229-S233 PolarHBondContact O-N 3.01Å; T229-S233 PolarHBondContact O-OG 3.45Å; L230-S233 PolarHBondContact O-N 2.91Å; L230-S233 PolarHBondContact O-OG 2.66Å; S233-K235 PolarHBondContact O-N 2.89Å
234	T	44.8	Very low	60.4	Low	59 Å²	59	64.7 Å²	64.7	36%	0.362	35%	0.345	S	S	.	.			trans	-72.2	81.3	170.6	52.8	0	0	0	0	109.1	L230 C231 I236	L230-T234 PolarHBondContact O-N 3.36Å; C231-T234 PolarHBondContact O-OG1 2.86Å; T234-I236 PolarHBondContact O-N 3.27Å
235	K	50.4	Low	61.7	Low	189 Å²	189	61.5 Å²	61.5	82%	0.822	33%	0.327	S	S	*	.			trans	-65	76.9	168.9	-72.2	-178.5	179.9	176.9	0	109	S233 I237	S233-K235 PolarHBondContact O-N 2.89Å; K235-I237 PolarHBondContact O-N 3.26Å
236	I	54.4	Low	62.9	Low	71 Å²	71	60.2 Å²	60.2	36%	0.364	32%	0.324	S	S	.	.			trans	-72.5	115.2	169.3	-61	176.9	0	0	0	106	T234 G238 Q239	T234-I236 PolarHBondContact O-N 3.27Å; I236-G238 PolarHBondContact O-N 3.29Å; I236-Q239 HydrophobicContact CB-CB 4.12Å; I236-Q239 HydrophobicContact CG2-CB 4.35Å; I236-Q239 WeakPolarHBondContact O-CB 3.34Å; I236-Q239 PolarHBondContact O-N 3.22Å; I236-Q239 VanDerWaalsContact O-N 3.15Å
237	I	55.7	Low	64.7	Low	129 Å²	129	58.7 Å²	58.7	66%	0.662	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	128.2	179	-63.7	175.1	0	0	0	108.7	K235 N787	K235-I237 PolarHBondContact O-N 3.26Å; I237-N787 HydrophobicContact CG2-CB 4.13Å; I237-N787 WeakPolarHBondContact CG2-OD1 3.29Å
238	G	63.5	Low	66.2	Low	6 Å²	6	59.1 Å²	59.1	6%	0.062	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	14.2	179.4	0	0	0	0	0	114.8	I236	I236-G238 PolarHBondContact O-N 3.29Å
239	Q	72.7	Confident	68	Low	34 Å²	34	59.3 Å²	59.3	16%	0.159	31%	0.313	C	S	.	.			trans	-104.2	119.4	175.8	-173	161.6	2	0	0	112.2	I236 F241 L789	I236-Q239 HydrophobicContact CB-CB 4.12Å; I236-Q239 HydrophobicContact CG2-CB 4.35Å; I236-Q239 WeakPolarHBondContact O-CB 3.34Å; I236-Q239 PolarHBondContact O-N 3.22Å; I236-Q239 VanDerWaalsContact O-N 3.15Å; Q239-F241 PolarHBondContact O-N 3.43Å; Q239-L789 CarbonylContact O-C 3.47Å
240	P	82.1	Confident	70.2	Confident	6 Å²	6	55.7 Å²	55.7	4%	0.039	29%	0.291	C	S	.	.			trans	-64.4	133.9	179.7	-13.4	21.4	0	0	0	113	Y202 V206 L242 Y681 L789	Y202-P240 HydrophobicContact CE2-CB 3.83Å; Y202-P240 HydrophobicContact CE2-CG 3.76Å; Y202-P240 WeakPolarHBondContact OH-CB 3.26Å; V206-P240 HydrophobicContact CG2-CB 4.19Å; V206-P240 HydrophobicContact CG2-CG 4.09Å; P240-L242 PolarHBondContact O-N 3.5Å; P240-Y681 VanDerWaalsContact CD-CD1 3.43Å; P240-Y681 HydrophobicContact CG-CD1 3.46Å; P240-Y681 VanDerWaalsContact CG-CD1 3.46Å; P240-Y681 HydrophobicContact CG-CD2 3.72Å; P240-Y681 HydrophobicContact CG-CE1 3.46Å; P240-Y681 VanDerWaalsContact CG-CE1 3.46Å; P240-Y681 HydrophobicContact CG-CE2 3.73Å; P240-Y681 HydrophobicContact CG-CG 3.6Å; P240-L789 HydrophobicContact CB-CD2 4.28Å; P240-L789 HydrophobicContact CG-CB 4.28Å; P240-L789 HydrophobicContact CG-CD1 4.2Å; P240-L789 HydrophobicContact CG-CD2 4.18Å; P240-L789 HydrophobicContact CG-CG 4.47Å
241	F	81.9	Confident	72.3	Confident	58 Å²	58	51 Å²	51	25%	0.254	27%	0.267	S	S	.	.			trans	-79.9	94.7	169.5	-174.9	-131.2	0	0	0	110.2	Q232 Q239 F243 R245 N581 T585	Q232-F241 HydrophobicContact CG-CE2 4.16Å; Q232-F241 VanDerWaalsContact NE2-CE2 3.28Å; Q232-F241 VanDerWaalsContact NE2-CZ 3.35Å; Q239-F241 PolarHBondContact O-N 3.43Å; F241-F243 WeakPolarHBondContact CE2-O 3.33Å; F241-R245 HydrophobicContact CD1-CG 3.69Å; F241-R245 HydrophobicContact CE1-CB 4.26Å; F241-R245 HydrophobicContact CE1-CG 3.63Å; F241-R245 HydrophobicContact CG-CG 4.3Å; F241-R245 HydrophobicContact CZ-CG 4.19Å; F241-R245 VanDerWaalsContact O-CD 3.25Å; F241-R245 WeakPolarHBondContact O-CD 3.42Å; F241-N581 PolarHBondContact O-ND2 2.81Å; F241-T585 HydrophobicContact CD1-CG2 4Å
242	L	86	Confident	74.2	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.016	26%	0.257	C	S	.	.			trans	-105.6	-41.2	-177.8	-175.5	57.6	0	0	0	113.8	I160 Y202 I203 V206 P240 R245 L292	I160-L242 HydrophobicContact CD1-CD1 3.99Å; Y202-L242 HydrophobicContact CD1-CD1 4.09Å; Y202-L242 HydrophobicContact CD1-CD2 3.83Å; Y202-L242 HydrophobicContact CE1-CD1 3.54Å; Y202-L242 HydrophobicContact CE1-CD2 3.89Å; Y202-L242 HydrophobicContact CE1-CG 4.21Å; Y202-L242 HydrophobicContact CG-CD2 4.32Å; I203-L242 HydrophobicContact CG1-CD2 3.82Å; V206-L242 HydrophobicContact CG2-CB 4.23Å; V206-L242 HydrophobicContact CG2-CD2 4.13Å; P240-L242 PolarHBondContact O-N 3.5Å; L242-R245 PolarHBondContact O-NE 2.93Å; L242-L292 HydrophobicContact CD1-CD2 4.04Å
243	F	82.4	Confident	76.2	Confident	101 Å²	101	45.9 Å²	45.9	44%	0.443	24%	0.239	S	C	.	.	S	Bend	trans	-97.7	144.4	-176.5	-58	-68.7	0	0	0	111.4	I203 V206 F241 R245	I203-F243 HydrophobicContact CG1-CZ 4.16Å; I203-F243 HydrophobicContact CG2-CZ 4.09Å; V206-F243 HydrophobicContact CG1-CD2 4.21Å; V206-F243 HydrophobicContact CG1-CE2 3.92Å; F241-F243 WeakPolarHBondContact CE2-O 3.33Å; F243-R245 VanDerWaalsContact C-N 3.28Å; F243-R245 PolarHBondContact O-N 2.9Å
244	G	69.2	Low	78.6	Confident	19 Å²	19	42.4 Å²	42.4	20%	0.196	22%	0.215	C	C	.	.	S	Bend	trans	76.9	12.3	178.1	0	0	0	0	0	115.1
245	R	84.6	Confident	80.7	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.008	20%	0.198	C	C	.	.			trans	-65.9	150.2	173.6	-64.6	-179.3	-67.2	120.2	7.5	111.4	K157 A158 F241 L242 F243 L292 H294 N581 T585	K157-R245 CarbonylContact C-O 3.54Å; K157-R245 WeakPolarHBondContact CA-O 3.44Å; A158-R245 HydrophobicContact CB-CB 4.43Å; A158-R245 PolarHBondContact N-O 2.63Å; F241-R245 HydrophobicContact CD1-CG 3.69Å; F241-R245 HydrophobicContact CE1-CB 4.26Å; F241-R245 HydrophobicContact CE1-CG 3.63Å; F241-R245 HydrophobicContact CG-CG 4.3Å; F241-R245 HydrophobicContact CZ-CG 4.19Å; F241-R245 VanDerWaalsContact O-CD 3.25Å; F241-R245 WeakPolarHBondContact O-CD 3.42Å; L242-R245 PolarHBondContact O-NE 2.93Å; F243-R245 VanDerWaalsContact C-N 3.28Å; F243-R245 PolarHBondContact O-N 2.9Å; R245-L292 PolarHBondContact NH2-O 3.22Å; R245-H294 PolarHBondContact NH1-CE1 2.95Å; R245-H294 PolarHBondContact NH1-NE2 2.8Å; R245-N581 WeakPolarHBondContact CD-OD1 3.46Å; R245-N581 VanDerWaalsContact CZ-OD1 3.24Å; R245-N581 PolarHBondContact NE-OD1 3.22Å; R245-N581 PolarHBondContact NH1-OD1 3.08Å; R245-T585 HydrophobicContact CG-CG2 3.8Å
246	P	78.2	Confident	82.4	Confident	59 Å²	59	31.9 Å²	31.9	38%	0.383	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-64.2	138.1	169.9	27.5	-33.8	0	0	0	111.1	H155 L248	H155-P246 HydrophobicContact CB-CB 4.42Å; P246-L248 HydrophobicContact CG-CD2 4.43Å; P246-L248 PolarHBondContact O-N 3.42Å
247	K	88.2	Confident	83.8	Confident	77 Å²	77	28.7 Å²	28.7	34%	0.335	15%	0.148	S	C	.	.			trans	-78.6	104	170.6	-176.2	168.1	-176.1	169.8	0	109.5	R156 A158 G293	R156-K247 HydrophobicContact CB-CB 4.27Å; R156-K247 HydrophobicContact CB-CD 4.36Å; R156-K247 WeakPolarHBondContact O-CA 3.39Å; R156-K247 WeakPolarHBondContact O-CB 3.2Å; R156-K247 PolarHBondContact O-N 2.9Å; A158-K247 HydrophobicContact CB-CB 4.22Å; K247-G293 WeakPolarHBondContact CD-O 3.36Å; K247-G293 WeakPolarHBondContact CE-O 3.45Å; K247-G293 WeakPolarHBondContact CG-O 3.37Å
248	L	91.6	Very high	85	Confident	24 Å²	24	22.8 Å²	22.8	13%	0.126	12%	0.118	C	C	.	.			trans	-72.8	144.8	175	-50.8	177.2	0	0	0	112.9	P246 I250 H294 N295 D325 L326 L584	P246-L248 HydrophobicContact CG-CD2 4.43Å; P246-L248 PolarHBondContact O-N 3.42Å; L248-I250 HydrophobicContact CB-CD1 4.15Å; L248-I250 HydrophobicContact CB-CG1 3.89Å; L248-H294 PolarHBondContact N-ND1 3.03Å; L248-N295 PolarHBondContact O-N 2.72Å; L248-D325 WeakPolarHBondContact CA-OD2 3.39Å; L248-D325 HydrophobicContact CB-CB 4.13Å; L248-D325 HydrophobicContact CD2-CB 3.99Å; L248-L326 HydrophobicContact CD1-CD1 4.06Å; L248-L584 HydrophobicContact CD1-CB 4.3Å; L248-L584 HydrophobicContact CD1-CD2 4.07Å
249	N	92.3	Very high	85.6	Confident	54 Å²	54	24.5 Å²	24.5	29%	0.289	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	115.9	162.1	-68.2	-34.8	0	0	0	109.3	N295 E323 Y324 D325	N249-N295 WeakPolarHBondContact OD1-CB 3.33Å; N249-N295 PolarHBondContact OD1-ND2 3.2Å; N249-E323 WeakPolarHBondContact CB-O 3.5Å; N249-E323 PolarHBondContact ND2-O 3.08Å; N249-E323 VanDerWaalsContact ND2-O 3.1Å; N249-Y324 HydrophobicContact CB-CD1 4.3Å; N249-Y324 WeakPolarHBondContact O-CA 3.5Å; N249-D325 PolarHBondContact N-OD2 3.25Å; N249-D325 PolarHBondContact O-N 3.41Å
250	I	95.4	Very high	85.4	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.7	-172.1	-55.3	178.6	0	0	0	109.8	L248 L252 L289 H294 N295 L296 T297 L326 Y328 L584	L248-I250 HydrophobicContact CB-CD1 4.15Å; L248-I250 HydrophobicContact CB-CG1 3.89Å; I250-L252 HydrophobicContact CG2-CD1 4.27Å; I250-L252 HydrophobicContact CG2-CG 4.43Å; I250-L289 HydrophobicContact CD1-CD1 4.26Å; I250-L289 HydrophobicContact CD1-CD2 3.73Å; I250-L289 HydrophobicContact CD1-CG 4.48Å; I250-L289 HydrophobicContact CG2-CD1 4.17Å; I250-H294 HydrophobicContact CD1-CB 3.81Å; I250-H294 HydrophobicContact CG1-CB 4.44Å; I250-N295 PolarHBondContact N-O 3.46Å; I250-L296 HydrophobicContact CB-CD2 4.04Å; I250-L296 HydrophobicContact CD1-CD2 4.37Å; I250-L296 WeakPolarHBondContact O-CA 3.27Å; I250-T297 PolarHBondContact O-N 2.93Å; I250-L326 WeakPolarHBondContact CA-O 3.37Å; I250-L326 HydrophobicContact CG1-CB 4.47Å; I250-L326 HydrophobicContact CG2-CB 4.48Å; I250-Y328 HydrophobicContact CG2-CD2 3.55Å; I250-Y328 HydrophobicContact CG2-CE2 3.8Å; I250-L584 HydrophobicContact CD1-CD2 4.35Å
251	L	95	Very high	84.5	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.5	170.6	178.6	63.8	0	0	0	109.4	T297 I299 L308 L309 Y324 L326 I327 Y328	L251-T297 HydrophobicContact CD1-CG2 3.96Å; L251-I299 HydrophobicContact CD1-CB 4.49Å; L251-I299 HydrophobicContact CD1-CD1 3.78Å; L251-I299 HydrophobicContact CD1-CG1 4.05Å; L251-L308 HydrophobicContact CD1-CD1 4.46Å; L251-L309 HydrophobicContact CD2-CD1 3.97Å; L251-L309 HydrophobicContact CD2-CD2 3.77Å; L251-L309 HydrophobicContact CD2-CG 3.91Å; L251-Y324 HydrophobicContact CB-CD1 3.63Å; L251-Y324 HydrophobicContact CB-CD2 4.24Å; L251-Y324 HydrophobicContact CB-CE1 3.82Å; L251-Y324 HydrophobicContact CB-CE2 4.41Å; L251-Y324 HydrophobicContact CB-CG 3.85Å; L251-L326 PolarHBondContact N-O 3.09Å; L251-I327 HydrophobicContact CB-CG1 4.25Å; L251-I327 HydrophobicContact CB-CG2 4.42Å; L251-I327 HydrophobicContact CD2-CG1 4.48Å; L251-I327 HydrophobicContact CD2-CG2 4.21Å; L251-I327 HydrophobicContact CG-CG2 4.42Å; L251-I327 CarbonylContact O-C 3.51Å; L251-I327 WeakPolarHBondContact O-CA 3.45Å; L251-Y328 PolarHBondContact O-N 3.32Å
252	L	96.1	Very high	83.4	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	111.4	170.8	-60.3	104.2	0	0	0	109.1	I250 L254 W282 L285 I286 L289 L296 T297 I298 I299 Y328	I250-L252 HydrophobicContact CG2-CD1 4.27Å; I250-L252 HydrophobicContact CG2-CG 4.43Å; L252-L254 HydrophobicContact CB-CD1 3.81Å; L252-W282 HydrophobicContact CB-CZ3 4.24Å; L252-W282 HydrophobicContact CD2-CE3 4.3Å; L252-W282 HydrophobicContact CD2-CZ3 4.01Å; L252-L285 HydrophobicContact CD2-CD2 4.15Å; L252-L285 HydrophobicContact CD2-CG 4.3Å; L252-I286 HydrophobicContact CD2-CG1 3.63Å; L252-L289 HydrophobicContact CD1-CD1 4.46Å; L252-L289 HydrophobicContact CD2-CD1 4.01Å; L252-L296 HydrophobicContact CD1-CB 4.01Å; L252-L296 HydrophobicContact CD1-CD2 4.19Å; L252-L296 HydrophobicContact CD1-CG 4.46Å; L252-T297 PolarHBondContact N-O 2.87Å; L252-I298 HydrophobicContact CB-CG1 4.37Å; L252-I298 HydrophobicContact CD1-CG1 4.1Å; L252-I298 WeakPolarHBondContact O-CA 3.22Å; L252-I299 PolarHBondContact O-N 2.9Å; L252-Y328 WeakPolarHBondContact CA-O 3.5Å
253	H	93.9	Very high	82	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	97.2	-178.4	175.8	-146.5	0	0	0	110.8	E255 I299 A305 Y328 T329	H253-E255 IonicContact CD2-OE2 3.93Å; H253-E255 IonicContact CE1-OE2 3.29Å; H253-E255 PolarHBondContact CE1-OE2 3.1Å; H253-E255 IonicContact NE2-OE2 2.72Å; H253-E255 PolarHBondContact NE2-OE2 3.49Å; H253-E255 PolarHBondContact O-N 3.46Å; H253-I299 CarbonylContact C-O 3.28Å; H253-I299 VanDerWaalsContact CA-O 3.3Å; H253-I299 WeakPolarHBondContact CA-O 3.42Å; H253-A305 HydrophobicContact CB-CB 4.46Å; H253-Y328 PolarHBondContact N-O 3.37Å; H253-T329 PolarHBondContact ND1-OG1 3Å; H253-T329 VanDerWaalsContact O-CA 3.3Å; H253-T329 WeakPolarHBondContact O-CA 3.04Å; H253-T329 PolarHBondContact O-OG1 3.13Å
254	L	92.3	Very high	81.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.193	C	C	.	.			trans	-93.2	67.5	-175.7	-72.8	71.2	0	0	0	110.5	L252 F256 L257 W282 I298 I299 Y300	L252-L254 HydrophobicContact CB-CD1 3.81Å; L254-F256 HydrophobicContact CB-CD1 4.25Å; L254-F256 HydrophobicContact CB-CE1 3.91Å; L254-F256 HydrophobicContact CD2-CE1 4.14Å; L254-F256 HydrophobicContact CG-CE1 4.1Å; L254-F256 PolarHBondContact O-N 3.01Å; L254-L257 HydrophobicContact CB-CD1 4.35Å; L254-L257 HydrophobicContact CD2-CD1 4.06Å; L254-L257 PolarHBondContact O-N 3.19Å; L254-L257 VanDerWaalsContact O-N 3.17Å; L254-W282 HydrophobicContact CD1-CD2 4.11Å; L254-W282 HydrophobicContact CD1-CE3 3.57Å; L254-W282 HydrophobicContact CD1-CH2 4.09Å; L254-W282 HydrophobicContact CD1-CZ3 3.56Å; L254-W282 HydrophobicContact CD2-CB 3.98Å; L254-W282 HydrophobicContact CD2-CD2 3.91Å; L254-W282 HydrophobicContact CD2-CE3 4.05Å; L254-W282 HydrophobicContact CD2-CG 3.9Å; L254-W282 HydrophobicContact CG-CD2 3.59Å; L254-W282 HydrophobicContact CG-CE3 3.6Å; L254-W282 HydrophobicContact CG-CG 4.08Å; L254-W282 HydrophobicContact CG-CH2 4.19Å; L254-W282 HydrophobicContact CG-CZ2 4.19Å; L254-W282 HydrophobicContact CG-CZ3 3.92Å; L254-I298 HydrophobicContact CD1-CG2 4.22Å; L254-I299 PolarHBondContact N-O 3.41Å; L254-Y300 HydrophobicContact CB-CD1 4Å; L254-Y300 HydrophobicContact CB-CE1 4.36Å; L254-Y300 HydrophobicContact CD2-CE1 4.29Å
255	E	89.7	Confident	80.9	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.009	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-64.2	-27.6	-175.1	-172	66.8	-174.4	0	0	113.2	H253 L257 S258 L261 Y300 A302 D330 T332 R336	H253-E255 IonicContact CD2-OE2 3.93Å; H253-E255 IonicContact CE1-OE2 3.29Å; H253-E255 PolarHBondContact CE1-OE2 3.1Å; H253-E255 IonicContact NE2-OE2 2.72Å; H253-E255 PolarHBondContact NE2-OE2 3.49Å; H253-E255 PolarHBondContact O-N 3.46Å; E255-L257 PolarHBondContact O-N 2.81Å; E255-S258 WeakPolarHBondContact O-CB 3.42Å; E255-S258 PolarHBondContact O-N 3.1Å; E255-L261 WeakPolarHBondContact O-CD1 3.31Å; E255-Y300 WeakPolarHBondContact CA-O 3.45Å; E255-Y300 VanDerWaalsContact OE2-O 3.04Å; E255-A302 WeakPolarHBondContact OE2-CA 3.38Å; E255-A302 WeakPolarHBondContact OE2-CB 3.3Å; E255-A302 PolarHBondContact OE2-N 3.12Å; E255-D330 PolarHBondContact N-OD2 3.26Å; E255-T332 HydrophobicContact CG-CG2 4.03Å; E255-R336 WeakPolarHBondContact OE1-CD 3.37Å; E255-R336 IonicContact OE1-CZ 3.92Å; E255-R336 IonicContact OE1-NE 3.45Å; E255-R336 IonicContact OE1-NH1 3.97Å; E255-R336 PolarHBondContact OE1-NH1 3.17Å
256	F	84.9	Confident	80.1	Confident	25 Å²	25	36.7 Å²	36.7	11%	0.11	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-59.4	-16.9	176.4	80.7	-77.1	0	0	0	114	L254 F266 E278 L279 W282 D330	L254-F256 HydrophobicContact CB-CD1 4.25Å; L254-F256 HydrophobicContact CB-CE1 3.91Å; L254-F256 HydrophobicContact CD2-CE1 4.14Å; L254-F256 HydrophobicContact CG-CE1 4.1Å; L254-F256 PolarHBondContact O-N 3.01Å; F256-F266 HydrophobicContact CD2-CD1 4.11Å; F256-F266 AromaticContact CD2-CD2 3.99Å; F256-F266 HydrophobicContact CD2-CD2 3.99Å; F256-F266 AromaticContact CD2-CE1 3.9Å; F256-F266 HydrophobicContact CD2-CE1 3.9Å; F256-F266 AromaticContact CD2-CE2 3.77Å; F256-F266 HydrophobicContact CD2-CE2 3.77Å; F256-F266 HydrophobicContact CD2-CG 4.15Å; F256-F266 AromaticContact CD2-CZ 3.73Å; F256-F266 HydrophobicContact CD2-CZ 3.73Å; F256-F266 HydrophobicContact CE2-CD1 4.03Å; F256-F266 HydrophobicContact CE2-CD2 4.48Å; F256-F266 AromaticContact CE2-CE1 3.45Å; F256-F266 HydrophobicContact CE2-CE1 3.45Å; F256-F266 VanDerWaalsContact CE2-CE1 3.45Å; F256-F266 AromaticContact CE2-CE2 3.99Å; F256-F266 HydrophobicContact CE2-CE2 3.99Å; F256-F266 HydrophobicContact CE2-CG 4.5Å; F256-F266 AromaticContact CE2-CZ 3.44Å; F256-F266 HydrophobicContact CE2-CZ 3.44Å; F256-F266 VanDerWaalsContact CE2-CZ 3.44Å; F256-E278 HydrophobicContact CE2-CB 4.21Å; F256-E278 HydrophobicContact CZ-CB 4.45Å; F256-L279 HydrophobicContact CE2-CD2 4.22Å; F256-L279 HydrophobicContact CE2-CG 4.24Å; F256-L279 HydrophobicContact CZ-CD2 3.92Å; F256-L279 HydrophobicContact CZ-CG 4.3Å; F256-W282 AromaticContact CD1-NE1 3.7Å; F256-W282 AromaticContact CE1-CD1 3.18Å; F256-W282 HydrophobicContact CE1-CD2 4.42Å; F256-W282 AromaticContact CE1-CE2 3.99Å; F256-W282 AromaticContact CE1-CG 3.96Å; F256-W282 HydrophobicContact CE1-CG 3.96Å; F256-W282 AromaticContact CE1-NE1 3.2Å; F256-W282 AromaticContact CZ-CD1 3.53Å; F256-W282 HydrophobicContact CZ-CG 4.32Å; F256-W282 AromaticContact CZ-NE1 3.99Å; F256-D330 WeakPolarHBondContact CB-OD2 3.35Å; F256-D330 WeakPolarHBondContact CD1-OD2 2.91Å; F256-D330 PolarHBondContact N-OD2 3.36Å
257	L	84.4	Confident	79.9	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.021	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-94.1	-4	172.9	-63.7	177.5	0	0	0	113.7	H177 L254 E255 F266 L279 Y300	H177-L257 PolarHBondContact CE1-O 3.06Å; H177-L257 PolarHBondContact ND1-O 2.84Å; L254-L257 HydrophobicContact CB-CD1 4.35Å; L254-L257 HydrophobicContact CD2-CD1 4.06Å; L254-L257 PolarHBondContact O-N 3.19Å; L254-L257 VanDerWaalsContact O-N 3.17Å; E255-L257 PolarHBondContact O-N 2.81Å; L257-F266 HydrophobicContact CD2-CD1 3.3Å; L257-F266 HydrophobicContact CD2-CE1 3.64Å; L257-F266 HydrophobicContact CD2-CG 4.2Å; L257-L279 HydrophobicContact CD1-CD2 4.04Å; L257-L279 HydrophobicContact CD2-CD2 4.15Å; L257-Y300 HydrophobicContact CB-CD1 3.97Å; L257-Y300 HydrophobicContact CD1-CD1 3.91Å; L257-Y300 HydrophobicContact CD1-CE1 3.78Å
258	S	81.6	Confident	79.1	Confident	5 Å²	5	33.5 Å²	33.5	4%	0.035	19%	0.194	C	C	.	.			trans	-58.4	137.1	-177.8	168.2	0	0	0	0	111.9	E255 A260 L261 E301 R336	E255-S258 WeakPolarHBondContact O-CB 3.42Å; E255-S258 PolarHBondContact O-N 3.1Å; S258-A260 PolarHBondContact O-N 3.43Å; S258-A260 WeakPolarHBondContact OG-CB 3.41Å; S258-A260 PolarHBondContact OG-N 2.94Å; S258-L261 PolarHBondContact O-N 3.05Å; S258-E301 VanDerWaalsContact CA-OE1 3.32Å; S258-E301 WeakPolarHBondContact CA-OE1 3.15Å; S258-E301 PolarHBondContact OG-OE1 3.4Å; S258-E301 PolarHBondContact OG-OE2 2.66Å; S258-R336 PolarHBondContact OG-NH1 2.93Å
259	D	74.1	Confident	78.2	Confident	42 Å²	42	35.6 Å²	35.6	23%	0.225	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-63.4	-28.9	173.5	-61.7	-29.4	0	0	0	111	N176 H177 L261 G262 N264 E301	N176-D259 WeakPolarHBondContact CB-OD1 3.21Å; N176-D259 WeakPolarHBondContact CB-OD2 2.95Å; N176-D259 VanDerWaalsContact CG-OD2 3.27Å; N176-D259 PolarHBondContact ND2-OD2 3.5Å; H177-D259 IonicContact CE1-OD1 3.89Å; H177-D259 PolarHBondContact CE1-OD1 2.98Å; H177-D259 IonicContact ND1-OD1 2.67Å; D259-L261 PolarHBondContact O-N 3.23Å; D259-L261 VanDerWaalsContact O-N 3.15Å; D259-G262 PolarHBondContact O-N 3.35Å; D259-N264 PolarHBondContact OD1-ND2 2.67Å; D259-N264 PolarHBondContact OD1-OD1 3.49Å; D259-E301 PolarHBondContact N-OE1 3.4Å
260	A	69.1	Low	77.1	Confident	65 Å²	65	33.5 Å²	33.5	54%	0.537	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-71.4	-4	-179.1	0	0	0	0	0	113.9	S258 R336	S258-A260 PolarHBondContact O-N 3.43Å; S258-A260 WeakPolarHBondContact OG-CB 3.41Å; S258-A260 PolarHBondContact OG-N 2.94Å; A260-R336 PolarHBondContact O-NH2 2.85Å
261	L	64.6	Low	75.6	Confident	69 Å²	69	35.6 Å²	35.6	36%	0.361	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-80.1	-2.2	171.4	-73.1	169.2	0	0	0	113.8	E255 S258 D259 T332 R336	E255-L261 WeakPolarHBondContact O-CD1 3.31Å; S258-L261 PolarHBondContact O-N 3.05Å; D259-L261 PolarHBondContact O-N 3.23Å; D259-L261 VanDerWaalsContact O-N 3.15Å; L261-T332 HydrophobicContact CD1-CG2 4.27Å; L261-T332 HydrophobicContact CD2-CG2 3.68Å; L261-R336 VanDerWaalsContact CD2-CZ 3.41Å; L261-R336 VanDerWaalsContact CD2-NH2 3.26Å
262	G	57.2	Low	74.1	Confident	33 Å²	33	41.6 Å²	41.6	34%	0.34	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	107.4	121.7	175.7	0	0	0	0	0	111.8	D259 N264 I265	D259-G262 PolarHBondContact O-N 3.35Å; G262-N264 PolarHBondContact O-N 3.34Å; G262-I265 VanDerWaalsContact O-CD1 3.31Å; G262-I265 WeakPolarHBondContact O-CD1 3.36Å; G262-I265 WeakPolarHBondContact O-CG1 3.49Å; G262-I265 PolarHBondContact O-N 2.88Å
263	D	57.9	Low	72.3	Confident	155 Å²	155	42.3 Å²	42.3	83%	0.829	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	33.8	40.9	172.6	-68.9	-11.7	0	0	0	116.5	I265	D263-I265 PolarHBondContact O-N 3.28Å
264	N	62.2	Low	70.8	Confident	48 Å²	48	42.6 Å²	42.6	26%	0.257	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	40.2	179.8	-67.7	21	0	0	0	112.1	N176 D259 G262 F266 E267 T268	N176-N264 PolarHBondContact O-ND2 3.13Å; N176-N264 VanDerWaalsContact O-ND2 3.15Å; D259-N264 PolarHBondContact OD1-ND2 2.67Å; D259-N264 PolarHBondContact OD1-OD1 3.49Å; G262-N264 PolarHBondContact O-N 3.34Å; N264-F266 PolarHBondContact O-N 3.07Å; N264-E267 HydrophobicContact CB-CB 4.1Å; N264-E267 HydrophobicContact CB-CG 4.38Å; N264-E267 PolarHBondContact O-N 3.38Å; N264-E267 VanDerWaalsContact O-N 3.16Å; N264-T268 WeakPolarHBondContact O-CB 3.47Å; N264-T268 PolarHBondContact O-N 3.01Å; N264-T268 PolarHBondContact O-OG1 3.3Å
265	I	65.1	Low	69.4	Low	76 Å²	76	45.1 Å²	45.1	39%	0.39	26%	0.26	S	S	.	.	H	α-helix	trans	-51.8	-43.5	-176.2	-74.9	158	0	0	0	110.8	G262 D263 T268 H269	G262-I265 VanDerWaalsContact O-CD1 3.31Å; G262-I265 WeakPolarHBondContact O-CD1 3.36Å; G262-I265 WeakPolarHBondContact O-CG1 3.49Å; G262-I265 PolarHBondContact O-N 2.88Å; D263-I265 PolarHBondContact O-N 3.28Å; I265-T268 PolarHBondContact O-N 2.97Å; I265-H269 VanDerWaalsContact CG2-CE1 3.48Å; I265-H269 WeakPolarHBondContact CG2-CE1 3.48Å; I265-H269 WeakPolarHBondContact O-CB 3.43Å; I265-H269 PolarHBondContact O-CD2 3.14Å; I265-H269 PolarHBondContact O-N 3.11Å
266	F	68.5	Low	69	Low	33 Å²	33	46 Å²	46	15%	0.145	26%	0.264	C	S	.	.	H	α-helix	trans	-68	-48.5	-179.5	-164.6	-87.1	0	0	0	112	F256 L257 N264 T268 H269 V270 P275 L279	F256-F266 HydrophobicContact CD2-CD1 4.11Å; F256-F266 AromaticContact CD2-CD2 3.99Å; F256-F266 HydrophobicContact CD2-CD2 3.99Å; F256-F266 AromaticContact CD2-CE1 3.9Å; F256-F266 HydrophobicContact CD2-CE1 3.9Å; F256-F266 AromaticContact CD2-CE2 3.77Å; F256-F266 HydrophobicContact CD2-CE2 3.77Å; F256-F266 HydrophobicContact CD2-CG 4.15Å; F256-F266 AromaticContact CD2-CZ 3.73Å; F256-F266 HydrophobicContact CD2-CZ 3.73Å; F256-F266 HydrophobicContact CE2-CD1 4.03Å; F256-F266 HydrophobicContact CE2-CD2 4.48Å; F256-F266 AromaticContact CE2-CE1 3.45Å; F256-F266 HydrophobicContact CE2-CE1 3.45Å; F256-F266 VanDerWaalsContact CE2-CE1 3.45Å; F256-F266 AromaticContact CE2-CE2 3.99Å; F256-F266 HydrophobicContact CE2-CE2 3.99Å; F256-F266 HydrophobicContact CE2-CG 4.5Å; F256-F266 AromaticContact CE2-CZ 3.44Å; F256-F266 HydrophobicContact CE2-CZ 3.44Å; F256-F266 VanDerWaalsContact CE2-CZ 3.44Å; L257-F266 HydrophobicContact CD2-CD1 3.3Å; L257-F266 HydrophobicContact CD2-CE1 3.64Å; L257-F266 HydrophobicContact CD2-CG 4.2Å; N264-F266 PolarHBondContact O-N 3.07Å; F266-T268 VanDerWaalsContact C-N 3.25Å; F266-T268 PolarHBondContact O-N 2.97Å; F266-H269 CarbonylContact O-C 3.36Å; F266-H269 WeakPolarHBondContact O-CA 3.29Å; F266-H269 WeakPolarHBondContact O-CB 3.3Å; F266-H269 PolarHBondContact O-N 3.44Å; F266-V270 HydrophobicContact CD1-CG2 3.42Å; F266-V270 VanDerWaalsContact CD1-CG2 3.42Å; F266-V270 HydrophobicContact CE1-CG2 3.16Å; F266-V270 HydrophobicContact CG-CG2 4.43Å; F266-V270 HydrophobicContact CZ-CG2 4.01Å; F266-V270 VanDerWaalsContact O-CG2 3.25Å; F266-V270 WeakPolarHBondContact O-CG2 3.31Å; F266-V270 PolarHBondContact O-N 3.47Å; F266-P275 HydrophobicContact CE2-CG 4.01Å; F266-P275 WeakPolarHBondContact CZ-O 3.43Å; F266-L279 HydrophobicContact CE1-CD1 3.77Å; F266-L279 HydrophobicContact CE1-CD2 4.48Å; F266-L279 HydrophobicContact CE1-CG 3.81Å; F266-L279 HydrophobicContact CZ-CD1 4.44Å; F266-L279 HydrophobicContact CZ-CG 4.24Å
267	E	73.3	Confident	69	Low	12 Å²	12	45.2 Å²	45.2	6%	0.056	26%	0.263	C	S	.	.	H	α-helix	trans	-56.2	-41.3	173.9	-68.5	-70.6	140.8	0	0	112.1	H177 V179 S180 N264 H269 V270 S271	H177-E267 WeakPolarHBondContact CA-OE1 3.27Å; H177-E267 IonicContact ND1-OE1 3.71Å; V179-E267 WeakPolarHBondContact CA-OE2 3.35Å; V179-E267 VanDerWaalsContact CB-OE2 3.3Å; V179-E267 WeakPolarHBondContact CB-OE2 3.3Å; V179-E267 PolarHBondContact N-OE2 3.42Å; V179-E267 VanDerWaalsContact N-OE2 3.09Å; S180-E267 WeakPolarHBondContact CB-OE1 3.33Å; S180-E267 PolarHBondContact N-OE2 3.34Å; S180-E267 PolarHBondContact OG-OE1 3.34Å; N264-E267 HydrophobicContact CB-CB 4.1Å; N264-E267 HydrophobicContact CB-CG 4.38Å; N264-E267 PolarHBondContact O-N 3.38Å; N264-E267 VanDerWaalsContact O-N 3.16Å; E267-H269 VanDerWaalsContact C-N 3.32Å; E267-H269 PolarHBondContact O-N 3.16Å; E267-V270 PolarHBondContact O-N 2.65Å; E267-S271 WeakPolarHBondContact O-CB 3.4Å; E267-S271 PolarHBondContact O-N 2.89Å
268	T	71.3	Confident	69.2	Low	57 Å²	57	47.9 Å²	47.9	35%	0.35	28%	0.276	S	S	.	.	H	α-helix	trans	-62	-42.8	175.4	-59.8	0	0	0	0	110.6	N264 I265 F266 S271 K272	N264-T268 WeakPolarHBondContact O-CB 3.47Å; N264-T268 PolarHBondContact O-N 3.01Å; N264-T268 PolarHBondContact O-OG1 3.3Å; I265-T268 PolarHBondContact O-N 2.97Å; F266-T268 VanDerWaalsContact C-N 3.25Å; F266-T268 PolarHBondContact O-N 2.97Å; T268-S271 PolarHBondContact O-N 2.9Å; T268-S271 PolarHBondContact O-OG 2.66Å; T268-K272 WeakPolarHBondContact O-CG 3.28Å; T268-K272 PolarHBondContact O-N 2.87Å
269	H	72.4	Confident	69.7	Low	67 Å²	67	47.6 Å²	47.6	31%	0.31	27%	0.274	S	S	.	.	H	α-helix	trans	-66.2	-48.1	175.5	-71.3	174.2	0	0	0	111.3	I265 F266 E267 S271 K272 G273 G274	I265-H269 VanDerWaalsContact CG2-CE1 3.48Å; I265-H269 WeakPolarHBondContact CG2-CE1 3.48Å; I265-H269 WeakPolarHBondContact O-CB 3.43Å; I265-H269 PolarHBondContact O-CD2 3.14Å; I265-H269 PolarHBondContact O-N 3.11Å; F266-H269 CarbonylContact O-C 3.36Å; F266-H269 WeakPolarHBondContact O-CA 3.29Å; F266-H269 WeakPolarHBondContact O-CB 3.3Å; F266-H269 PolarHBondContact O-N 3.44Å; E267-H269 VanDerWaalsContact C-N 3.32Å; E267-H269 PolarHBondContact O-N 3.16Å; H269-S271 PolarHBondContact O-N 2.74Å; H269-K272 CarbonylContact O-C 3.51Å; H269-K272 WeakPolarHBondContact O-CA 3.42Å; H269-K272 PolarHBondContact O-N 3.22Å; H269-G273 PolarHBondContact O-N 3Å; H269-G274 WeakPolarHBondContact O-CA 3.32Å; H269-G274 PolarHBondContact O-N 2.86Å
270	V	70.2	Confident	70.6	Confident	10 Å²	10	45.7 Å²	45.7	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-52.4	-44.2	176	174.1	0	0	0	0	110.9	V179 F266 E267 K272 G273 L276 L279	V179-V270 HydrophobicContact CB-CG1 4.4Å; V179-V270 HydrophobicContact CG1-CB 4.34Å; V179-V270 HydrophobicContact CG1-CG1 3.7Å; F266-V270 HydrophobicContact CD1-CG2 3.42Å; F266-V270 VanDerWaalsContact CD1-CG2 3.42Å; F266-V270 HydrophobicContact CE1-CG2 3.16Å; F266-V270 HydrophobicContact CG-CG2 4.43Å; F266-V270 HydrophobicContact CZ-CG2 4.01Å; F266-V270 VanDerWaalsContact O-CG2 3.25Å; F266-V270 WeakPolarHBondContact O-CG2 3.31Å; F266-V270 PolarHBondContact O-N 3.47Å; E267-V270 PolarHBondContact O-N 2.65Å; V270-K272 PolarHBondContact O-N 3.01Å; V270-K272 VanDerWaalsContact O-N 3.17Å; V270-G273 PolarHBondContact O-N 3.39Å; V270-L276 HydrophobicContact CB-CD2 4.29Å; V270-L276 HydrophobicContact CG1-CD2 3.74Å; V270-L276 HydrophobicContact CG2-CD2 4.2Å; V270-L279 HydrophobicContact CB-CD1 4.45Å; V270-L279 HydrophobicContact CG1-CD1 3.94Å; V270-L279 HydrophobicContact CG2-CD1 3.54Å
271	S	64.9	Low	71.9	Confident	45 Å²	45	42.8 Å²	42.8	32%	0.315	24%	0.239	S	C	.	.	H	α-helix	trans	-61.2	-25.4	177.6	79.1	0	0	0	0	113.8	E267 T268 H269	E267-S271 WeakPolarHBondContact O-CB 3.4Å; E267-S271 PolarHBondContact O-N 2.89Å; T268-S271 PolarHBondContact O-N 2.9Å; T268-S271 PolarHBondContact O-OG 2.66Å; H269-S271 PolarHBondContact O-N 2.74Å
272	K	62.7	Low	73.3	Confident	125 Å²	125	39.7 Å²	39.7	54%	0.543	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	16.3	177.3	-62.2	174.8	-175.7	175.3	0	112.4	T268 H269 V270 G274 L444	T268-K272 WeakPolarHBondContact O-CG 3.28Å; T268-K272 PolarHBondContact O-N 2.87Å; H269-K272 CarbonylContact O-C 3.51Å; H269-K272 WeakPolarHBondContact O-CA 3.42Å; H269-K272 PolarHBondContact O-N 3.22Å; V270-K272 PolarHBondContact O-N 3.01Å; V270-K272 VanDerWaalsContact O-N 3.17Å; K272-G274 VanDerWaalsContact C-N 3.34Å; K272-L444 WeakPolarHBondContact O-CD1 3.39Å
273	G	58.2	Low	75.2	Confident	16 Å²	16	38.2 Å²	38.2	17%	0.165	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	28.1	-176.7	0	0	0	0	0	113.5	H269 V270 K418	H269-G273 PolarHBondContact O-N 3Å; V270-G273 PolarHBondContact O-N 3.39Å; G273-K418 WeakPolarHBondContact O-CD 3.43Å; G273-K418 WeakPolarHBondContact O-CE 3.4Å; G273-K418 PolarHBondContact O-NZ 3.12Å
274	G	63.1	Low	77.1	Confident	5 Å²	5	30.9 Å²	30.9	5%	0.052	17%	0.168	C	C	.	.			trans	-58	-172.4	179.2	0	0	0	0	0	114	H269 K272 L276 K418	H269-G274 WeakPolarHBondContact O-CA 3.32Å; H269-G274 PolarHBondContact O-N 2.86Å; K272-G274 VanDerWaalsContact C-N 3.34Å; G274-L276 WeakPolarHBondContact O-CG 2.96Å; G274-L276 PolarHBondContact O-N 3.36Å; G274-K418 PolarHBondContact O-NZ 2.89Å
275	P	63.2	Low	78.8	Confident	54 Å²	54	28.7 Å²	28.7	35%	0.351	16%	0.156	S	C	.	.			trans	-60.4	95.8	-176.2	26.1	-32.5	0	0	0	110.8	F266 G277	F266-P275 HydrophobicContact CE2-CG 4.01Å; F266-P275 WeakPolarHBondContact CZ-O 3.43Å; P275-G277 VanDerWaalsContact C-N 3.34Å
276	L	80	Confident	80.3	Confident	19 Å²	19	25.1 Å²	25.1	10%	0.099	14%	0.138	C	C	.	.			trans	-88.1	-3.6	-178.3	-66.6	174.4	0	0	0	112.1	F183 V270 G274 L279 V280 Y461	F183-L276 HydrophobicContact CD2-CD1 4.43Å; F183-L276 HydrophobicContact CD2-CD2 4.16Å; F183-L276 HydrophobicContact CE2-CB 4.48Å; F183-L276 HydrophobicContact CE2-CD1 3.88Å; F183-L276 HydrophobicContact CE2-CD2 4.11Å; F183-L276 HydrophobicContact CE2-CG 4.37Å; F183-L276 HydrophobicContact CZ-CB 4.32Å; F183-L276 HydrophobicContact CZ-CD2 4.46Å; V270-L276 HydrophobicContact CB-CD2 4.29Å; V270-L276 HydrophobicContact CG1-CD2 3.74Å; V270-L276 HydrophobicContact CG2-CD2 4.2Å; G274-L276 WeakPolarHBondContact O-CG 2.96Å; G274-L276 PolarHBondContact O-N 3.36Å; L276-L279 HydrophobicContact CD2-CD1 4.05Å; L276-L279 PolarHBondContact O-N 2.64Å; L276-V280 WeakPolarHBondContact O-CG2 3.45Å; L276-V280 PolarHBondContact O-N 3.39Å; L276-Y461 HydrophobicContact CD1-CD1 3.82Å; L276-Y461 HydrophobicContact CD1-CD2 4.16Å; L276-Y461 HydrophobicContact CD1-CE1 4.45Å; L276-Y461 HydrophobicContact CD1-CG 3.64Å
277	G	85.6	Confident	81.7	Confident	9 Å²	9	23.6 Å²	23.6	9%	0.093	13%	0.131	C	C	.	.	H	α-helix	trans	-64.9	-45.3	-173.7	0	0	0	0	0	112.3	P275 L279 V280 Q281 F381	P275-G277 VanDerWaalsContact C-N 3.34Å; G277-L279 VanDerWaalsContact C-N 3.34Å; G277-L279 PolarHBondContact O-N 3.47Å; G277-V280 WeakPolarHBondContact O-CB 3.12Å; G277-V280 PolarHBondContact O-N 3.06Å; G277-Q281 PolarHBondContact O-N 2.76Å; G277-F381 WeakPolarHBondContact O-CE2 3.49Å; G277-F381 WeakPolarHBondContact O-CZ 3.26Å
278	E	88.9	Confident	82.9	Confident	60 Å²	60	23 Å²	23	28%	0.28	13%	0.128	S	C	.	.	H	α-helix	trans	-62	-43.2	176.3	-63.5	86.7	160.7	0	0	110.7	F256 V280 Q281 W282	F256-E278 HydrophobicContact CE2-CB 4.21Å; F256-E278 HydrophobicContact CZ-CB 4.45Å; E278-V280 VanDerWaalsContact C-N 3.33Å; E278-V280 PolarHBondContact O-N 3.46Å; E278-Q281 PolarHBondContact O-N 3.49Å; E278-W282 PolarHBondContact O-N 3.29Å
279	L	91	Very high	84.2	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.4	-40.2	174.3	-82.6	176.8	0	0	0	112.5	F183 M184 F256 L257 F266 V270 L276 G277 W282 T283	F183-L279 HydrophobicContact CD1-CB 3.99Å; F183-L279 HydrophobicContact CD1-CD1 4.05Å; F183-L279 HydrophobicContact CE1-CB 3.79Å; M184-L279 HydrophobicContact CG-CD2 4.27Å; M184-L279 HydrophobicContact SD-CD2 4.3Å; F256-L279 HydrophobicContact CE2-CD2 4.22Å; F256-L279 HydrophobicContact CE2-CG 4.24Å; F256-L279 HydrophobicContact CZ-CD2 3.92Å; F256-L279 HydrophobicContact CZ-CG 4.3Å; L257-L279 HydrophobicContact CD1-CD2 4.04Å; L257-L279 HydrophobicContact CD2-CD2 4.15Å; F266-L279 HydrophobicContact CE1-CD1 3.77Å; F266-L279 HydrophobicContact CE1-CD2 4.48Å; F266-L279 HydrophobicContact CE1-CG 3.81Å; F266-L279 HydrophobicContact CZ-CD1 4.44Å; F266-L279 HydrophobicContact CZ-CG 4.24Å; V270-L279 HydrophobicContact CB-CD1 4.45Å; V270-L279 HydrophobicContact CG1-CD1 3.94Å; V270-L279 HydrophobicContact CG2-CD1 3.54Å; L276-L279 HydrophobicContact CD2-CD1 4.05Å; L276-L279 PolarHBondContact O-N 2.64Å; G277-L279 VanDerWaalsContact C-N 3.34Å; G277-L279 PolarHBondContact O-N 3.47Å; L279-W282 PolarHBondContact O-N 3.48Å; L279-T283 VanDerWaalsContact O-CB 3.31Å; L279-T283 WeakPolarHBondContact O-CB 3.41Å; L279-T283 PolarHBondContact O-N 3.14Å; L279-T283 PolarHBondContact O-OG1 2.88Å
280	V	93.7	Very high	85.5	Confident	2 Å²	2	17.9 Å²	17.9	1%	0.012	10%	0.1	C	C	.	.	H	α-helix	trans	-58.6	-50	173.8	162.7	0	0	0	0	110.4	F183 R187 L276 G277 E278 W282 T283 D284 F393	F183-V280 HydrophobicContact CE1-CG2 4.22Å; F183-V280 HydrophobicContact CZ-CG2 3.86Å; R187-V280 VanDerWaalsContact NH2-CG1 3.33Å; L276-V280 WeakPolarHBondContact O-CG2 3.45Å; L276-V280 PolarHBondContact O-N 3.39Å; G277-V280 WeakPolarHBondContact O-CB 3.12Å; G277-V280 PolarHBondContact O-N 3.06Å; E278-V280 VanDerWaalsContact C-N 3.33Å; E278-V280 PolarHBondContact O-N 3.46Å; V280-W282 PolarHBondContact O-N 2.96Å; V280-T283 PolarHBondContact O-N 3.36Å; V280-D284 WeakPolarHBondContact O-CB 3.41Å; V280-D284 PolarHBondContact O-N 3.11Å; V280-F393 HydrophobicContact CG1-CB 3.91Å; V280-F393 HydrophobicContact CG1-CD2 3.96Å; V280-F393 HydrophobicContact CG1-CG 4.1Å
281	Q	95.7	Very high	86.8	Confident	3 Å²	3	17.4 Å²	17.4	1%	0.014	10%	0.097	C	C	.	.	H	α-helix	trans	-59.1	-48.3	179.1	-167.7	171.1	48	0	0	112.4	G277 E278 D284 L285 L352 T380 F381 L391	G277-Q281 PolarHBondContact O-N 2.76Å; E278-Q281 PolarHBondContact O-N 3.49Å; Q281-D284 PolarHBondContact O-N 3.04Å; Q281-L285 WeakPolarHBondContact O-CB 3.49Å; Q281-L285 PolarHBondContact O-N 3.42Å; Q281-L352 HydrophobicContact CG-CD2 3.92Å; Q281-T380 PolarHBondContact NE2-O 3.22Å; Q281-F381 HydrophobicContact CB-CD2 4.09Å; Q281-F381 HydrophobicContact CB-CE2 3.74Å; Q281-F381 HydrophobicContact CG-CD2 4.22Å; Q281-F381 HydrophobicContact CG-CE2 4.33Å; Q281-L391 HydrophobicContact CG-CD2 3.97Å
282	W	95.4	Very high	88.3	Confident	4 Å²	4	15.2 Å²	15.2	2%	0.015	8%	0.082	C	C	.	.	H	α-helix	trans	-63.9	-43.7	-180	-82.7	110.2	0	0	0	112.3	L252 L254 F256 E278 L279 V280 D284 L285 I286 D330 L352	L252-W282 HydrophobicContact CB-CZ3 4.24Å; L252-W282 HydrophobicContact CD2-CE3 4.3Å; L252-W282 HydrophobicContact CD2-CZ3 4.01Å; L254-W282 HydrophobicContact CD1-CD2 4.11Å; L254-W282 HydrophobicContact CD1-CE3 3.57Å; L254-W282 HydrophobicContact CD1-CH2 4.09Å; L254-W282 HydrophobicContact CD1-CZ3 3.56Å; L254-W282 HydrophobicContact CD2-CB 3.98Å; L254-W282 HydrophobicContact CD2-CD2 3.91Å; L254-W282 HydrophobicContact CD2-CE3 4.05Å; L254-W282 HydrophobicContact CD2-CG 3.9Å; L254-W282 HydrophobicContact CG-CD2 3.59Å; L254-W282 HydrophobicContact CG-CE3 3.6Å; L254-W282 HydrophobicContact CG-CG 4.08Å; L254-W282 HydrophobicContact CG-CH2 4.19Å; L254-W282 HydrophobicContact CG-CZ2 4.19Å; L254-W282 HydrophobicContact CG-CZ3 3.92Å; F256-W282 AromaticContact CD1-NE1 3.7Å; F256-W282 AromaticContact CE1-CD1 3.18Å; F256-W282 HydrophobicContact CE1-CD2 4.42Å; F256-W282 AromaticContact CE1-CE2 3.99Å; F256-W282 AromaticContact CE1-CG 3.96Å; F256-W282 HydrophobicContact CE1-CG 3.96Å; F256-W282 AromaticContact CE1-NE1 3.2Å; F256-W282 AromaticContact CZ-CD1 3.53Å; F256-W282 HydrophobicContact CZ-CG 4.32Å; F256-W282 AromaticContact CZ-NE1 3.99Å; E278-W282 PolarHBondContact O-N 3.29Å; L279-W282 PolarHBondContact O-N 3.48Å; V280-W282 PolarHBondContact O-N 2.96Å; W282-D284 VanDerWaalsContact C-N 3.35Å; W282-D284 PolarHBondContact O-N 3.43Å; W282-L285 HydrophobicContact CE3-CD2 4.14Å; W282-L285 HydrophobicContact CZ3-CD2 4.13Å; W282-L285 PolarHBondContact O-N 3.07Å; W282-I286 WeakPolarHBondContact O-CD1 3.22Å; W282-I286 VanDerWaalsContact O-CG1 3.24Å; W282-I286 WeakPolarHBondContact O-CG1 3.09Å; W282-I286 PolarHBondContact O-N 3.3Å; W282-D330 HydrophobicContact CZ2-CB 4.32Å; W282-L352 HydrophobicContact CD2-CD2 3.67Å; W282-L352 HydrophobicContact CE3-CD2 4.04Å; W282-L352 HydrophobicContact CG-CD2 4.16Å; W282-L352 HydrophobicContact CH2-CD1 4.07Å; W282-L352 HydrophobicContact CH2-CD2 4.21Å; W282-L352 HydrophobicContact CZ2-CB 4.14Å; W282-L352 HydrophobicContact CZ2-CD1 4.23Å; W282-L352 HydrophobicContact CZ2-CD2 3.86Å; W282-L352 HydrophobicContact CZ2-CG 4.29Å; W282-L352 HydrophobicContact CZ3-CD1 4.44Å; W282-L352 HydrophobicContact CZ3-CD2 4.29Å
283	T	95.4	Very high	89.9	Confident	2 Å²	2	9.4 Å²	9.4	1%	0.012	6%	0.057	C	C	.	.	H	α-helix	trans	-57.7	-50.6	176.5	-54.3	0	0	0	0	110.3	M184 R187 V188 L279 V280 L285 I286 T287	M184-T283 HydrophobicContact CB-CG2 4.24Å; M184-T283 VanDerWaalsContact CG-OG1 3.29Å; M184-T283 WeakPolarHBondContact CG-OG1 3.28Å; R187-T283 HydrophobicContact CG-CG2 4.5Å; V188-T283 HydrophobicContact CG2-CG2 3.47Å; V188-T283 VanDerWaalsContact CG2-CG2 3.47Å; L279-T283 VanDerWaalsContact O-CB 3.31Å; L279-T283 WeakPolarHBondContact O-CB 3.41Å; L279-T283 PolarHBondContact O-N 3.14Å; L279-T283 PolarHBondContact O-OG1 2.88Å; V280-T283 PolarHBondContact O-N 3.36Å; T283-L285 PolarHBondContact O-N 2.89Å; T283-I286 PolarHBondContact O-N 3.19Å; T283-T287 PolarHBondContact O-N 2.85Å; T283-T287 PolarHBondContact O-OG1 3.12Å; T283-T287 VanDerWaalsContact O-OG1 3.07Å
284	D	97.8	Very high	91.7	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.011	5%	0.052	C	C	.	.	H	α-helix	trans	-70.6	-33.5	-174.2	-62.6	-9.6	0	0	0	111.5	R187 W195 V280 Q281 W282 A288 V394 L576	R187-D284 IonicContact CZ-OD1 3.37Å; R187-D284 IonicContact CZ-OD2 2.68Å; R187-D284 IonicContact NE-OD1 3.57Å; R187-D284 PolarHBondContact NE-OD1 3.22Å; R187-D284 IonicContact NE-OD2 3.54Å; R187-D284 IonicContact NH2-OD1 2.92Å; R187-D284 PolarHBondContact NH2-OD1 3.46Å; R187-D284 IonicContact NH2-OD2 2.85Å; R187-D284 PolarHBondContact NH2-OD2 3.19Å; W195-D284 HydrophobicContact CH2-CB 4.41Å; W195-D284 WeakPolarHBondContact CH2-O 3.46Å; W195-D284 HydrophobicContact CZ2-CB 3.98Å; V280-D284 WeakPolarHBondContact O-CB 3.41Å; V280-D284 PolarHBondContact O-N 3.11Å; Q281-D284 PolarHBondContact O-N 3.04Å; W282-D284 VanDerWaalsContact C-N 3.35Å; W282-D284 PolarHBondContact O-N 3.43Å; D284-A288 WeakPolarHBondContact O-CB 3.35Å; D284-A288 PolarHBondContact O-N 3.18Å; D284-V394 HydrophobicContact CB-CG2 4.47Å; D284-V394 PolarHBondContact OD2-N 3.34Å; D284-L576 HydrophobicContact CB-CD2 4.01Å
285	L	98.1	Very high	93.2	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-61.8	-50.6	170.7	173.8	62.4	0	0	0	111.6	L252 Q281 W282 T283 T287 A288 L289 Y328 L352 L391 L580	L252-L285 HydrophobicContact CD2-CD2 4.15Å; L252-L285 HydrophobicContact CD2-CG 4.3Å; Q281-L285 WeakPolarHBondContact O-CB 3.49Å; Q281-L285 PolarHBondContact O-N 3.42Å; W282-L285 HydrophobicContact CE3-CD2 4.14Å; W282-L285 HydrophobicContact CZ3-CD2 4.13Å; W282-L285 PolarHBondContact O-N 3.07Å; T283-L285 PolarHBondContact O-N 2.89Å; L285-T287 VanDerWaalsContact C-N 3.31Å; L285-T287 PolarHBondContact O-N 3.13Å; L285-A288 PolarHBondContact O-N 3.15Å; L285-L289 HydrophobicContact CD1-CD1 3.85Å; L285-L289 HydrophobicContact CD1-CG 3.96Å; L285-L289 HydrophobicContact CG-CD1 4.01Å; L285-L289 HydrophobicContact CG-CG 4.47Å; L285-L289 WeakPolarHBondContact O-CB 3.49Å; L285-L289 VanDerWaalsContact O-CG 3.3Å; L285-L289 WeakPolarHBondContact O-CG 3.33Å; L285-L289 PolarHBondContact O-N 3.25Å; L285-Y328 HydrophobicContact CD1-CD1 4.47Å; L285-Y328 HydrophobicContact CD1-CE1 4.14Å; L285-Y328 HydrophobicContact CD2-CD1 3.65Å; L285-Y328 HydrophobicContact CD2-CE1 4.13Å; L285-Y328 HydrophobicContact CD2-CG 3.92Å; L285-L352 HydrophobicContact CD2-CD1 4.04Å; L285-L352 HydrophobicContact CD2-CD2 4.11Å; L285-L391 HydrophobicContact CB-CD2 4.44Å; L285-L391 HydrophobicContact CD1-CD1 4.24Å; L285-L391 HydrophobicContact CD1-CD2 4.33Å; L285-L391 HydrophobicContact CD2-CD2 4.21Å; L285-L580 HydrophobicContact CD1-CD1 4.14Å; L285-L580 HydrophobicContact CD1-CD2 3.93Å
286	I	97.7	Very high	94.8	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-58	-47.1	178.6	-69.8	160.8	0	0	0	109.9	L167 L171 L252 W282 T283 L289 Y290 L296 I298	L167-I286 HydrophobicContact CD1-CG2 3.97Å; L171-I286 HydrophobicContact CD2-CD1 4.22Å; L171-I286 HydrophobicContact CD2-CG2 4.43Å; L252-I286 HydrophobicContact CD2-CG1 3.63Å; W282-I286 WeakPolarHBondContact O-CD1 3.22Å; W282-I286 VanDerWaalsContact O-CG1 3.24Å; W282-I286 WeakPolarHBondContact O-CG1 3.09Å; W282-I286 PolarHBondContact O-N 3.3Å; T283-I286 PolarHBondContact O-N 3.19Å; I286-L289 PolarHBondContact O-N 3.27Å; I286-Y290 WeakPolarHBondContact O-CB 3.34Å; I286-Y290 PolarHBondContact O-N 3.13Å; I286-L296 HydrophobicContact CG2-CD1 4.29Å; I286-I298 HydrophobicContact CD1-CD1 3.96Å; I286-I298 HydrophobicContact CG1-CD1 4.19Å; I286-I298 HydrophobicContact CG2-CD1 3.84Å
287	T	98.3	Very high	95.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.2	-45.7	178.3	-61.2	0	0	0	0	112.3	L167 V188 W192 W195 T283 L285 Y290 I291	L167-T287 HydrophobicContact CD2-CG2 3.99Å; V188-T287 WeakPolarHBondContact CG2-OG1 3.31Å; W192-T287 HydrophobicContact CE3-CG2 4.41Å; W192-T287 HydrophobicContact CZ3-CG2 3.92Å; W195-T287 HydrophobicContact CD2-CG2 3.58Å; W195-T287 VanDerWaalsContact CE2-CG2 3.42Å; W195-T287 HydrophobicContact CE3-CG2 4.1Å; W195-T287 HydrophobicContact CG-CG2 3.88Å; W195-T287 HydrophobicContact CH2-CG2 4.25Å; W195-T287 HydrophobicContact CZ2-CG2 3.8Å; W195-T287 HydrophobicContact CZ3-CG2 4.4Å; T283-T287 PolarHBondContact O-N 2.85Å; T283-T287 PolarHBondContact O-OG1 3.12Å; T283-T287 VanDerWaalsContact O-OG1 3.07Å; L285-T287 VanDerWaalsContact C-N 3.31Å; L285-T287 PolarHBondContact O-N 3.13Å; T287-Y290 PolarHBondContact O-N 3.42Å; T287-I291 HydrophobicContact CG2-CD1 3.79Å; T287-I291 HydrophobicContact CG2-CG1 4.47Å; T287-I291 WeakPolarHBondContact O-CG1 3.41Å; T287-I291 PolarHBondContact O-N 2.95Å
288	A	98.5	Very high	95.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.5	-44	179.2	0	0	0	0	0	112.3	W195 D284 L285 Y290 I291 L292 L576 I577 L580	W195-A288 HydrophobicContact CH2-CB 3.87Å; W195-A288 HydrophobicContact CZ3-CB 3.92Å; D284-A288 WeakPolarHBondContact O-CB 3.35Å; D284-A288 PolarHBondContact O-N 3.18Å; L285-A288 PolarHBondContact O-N 3.15Å; A288-Y290 VanDerWaalsContact C-N 3.33Å; A288-Y290 PolarHBondContact O-N 3.47Å; A288-I291 PolarHBondContact O-N 3.22Å; A288-L292 WeakPolarHBondContact O-CB 3.32Å; A288-L292 VanDerWaalsContact O-CG 3.31Å; A288-L292 WeakPolarHBondContact O-CG 3.36Å; A288-L292 PolarHBondContact O-N 3.35Å; A288-L576 HydrophobicContact CB-CG 4.49Å; A288-I577 HydrophobicContact CB-CG1 4.35Å; A288-L580 HydrophobicContact CB-CD2 3.56Å
289	L	98.4	Very high	95.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.8	-39.9	176.7	-69.3	175.1	0	0	0	112.1	I250 L252 L285 I286 L292 G293 H294 L296 Y328 L580 L584	I250-L289 HydrophobicContact CD1-CD1 4.26Å; I250-L289 HydrophobicContact CD1-CD2 3.73Å; I250-L289 HydrophobicContact CD1-CG 4.48Å; I250-L289 HydrophobicContact CG2-CD1 4.17Å; L252-L289 HydrophobicContact CD1-CD1 4.46Å; L252-L289 HydrophobicContact CD2-CD1 4.01Å; L285-L289 HydrophobicContact CD1-CD1 3.85Å; L285-L289 HydrophobicContact CD1-CG 3.96Å; L285-L289 HydrophobicContact CG-CD1 4.01Å; L285-L289 HydrophobicContact CG-CG 4.47Å; L285-L289 WeakPolarHBondContact O-CB 3.49Å; L285-L289 VanDerWaalsContact O-CG 3.3Å; L285-L289 WeakPolarHBondContact O-CG 3.33Å; L285-L289 PolarHBondContact O-N 3.25Å; I286-L289 PolarHBondContact O-N 3.27Å; L289-L292 PolarHBondContact O-N 2.85Å; L289-G293 PolarHBondContact O-N 2.75Å; L289-H294 PolarHBondContact O-CD2 3.27Å; L289-H294 PolarHBondContact O-N 3.2Å; L289-L296 HydrophobicContact CB-CD1 4.06Å; L289-L296 HydrophobicContact CB-CD2 3.74Å; L289-L296 HydrophobicContact CD1-CD2 4.23Å; L289-Y328 HydrophobicContact CD1-CD2 4.27Å; L289-Y328 HydrophobicContact CD1-CE2 4.07Å; L289-L580 HydrophobicContact CD2-CD1 4.39Å; L289-L580 HydrophobicContact CD2-CD2 3.73Å; L289-L580 HydrophobicContact CD2-CG 4.23Å; L289-L580 HydrophobicContact CG-CD2 3.97Å; L289-L584 HydrophobicContact CD2-CD1 3.65Å; L289-L584 HydrophobicContact CD2-CD2 4.16Å; L289-L584 HydrophobicContact CD2-CG 4.46Å
290	Y	98.2	Very high	95.8	Very high	16 Å²	16	10.9 Å²	10.9	6%	0.063	6%	0.057	C	C	.	.	H	α-helix	trans	-63.1	-50.8	175.8	171.8	-99	0	0	0	111.2	T161 E163 Y166 L167 L170 W192 I286 T287 A288 L292 G293	T161-Y290 HydrophobicContact CG2-CE2 4.35Å; T161-Y290 WeakPolarHBondContact OG1-CD1 3.34Å; T161-Y290 WeakPolarHBondContact OG1-CE1 3.09Å; T161-Y290 PolarHBondContact OG1-O 2.95Å; E163-Y290 VanDerWaalsContact O-CE1 3.26Å; E163-Y290 WeakPolarHBondContact O-CE1 3.26Å; E163-Y290 VanDerWaalsContact O-CZ 3.28Å; E163-Y290 PolarHBondContact O-OH 2.94Å; Y166-Y290 WeakPolarHBondContact CB-OH 3.34Å; L167-Y290 HydrophobicContact CB-CD1 3.7Å; L167-Y290 HydrophobicContact CB-CD2 4.27Å; L167-Y290 HydrophobicContact CB-CE1 3.63Å; L167-Y290 HydrophobicContact CB-CE2 4.22Å; L167-Y290 HydrophobicContact CB-CG 4.02Å; L167-Y290 HydrophobicContact CD1-CD1 4.13Å; L167-Y290 HydrophobicContact CD1-CD2 4.38Å; L167-Y290 HydrophobicContact CD1-CG 3.85Å; L167-Y290 HydrophobicContact CD2-CD1 3.93Å; L167-Y290 HydrophobicContact CD2-CE1 4.44Å; L167-Y290 HydrophobicContact CD2-CG 4.48Å; L167-Y290 HydrophobicContact CG-CD1 4.13Å; L167-Y290 HydrophobicContact CG-CG 4.33Å; L170-Y290 HydrophobicContact CD1-CD2 3.77Å; L170-Y290 HydrophobicContact CD1-CE2 4.26Å; W192-Y290 HydrophobicContact CH2-CD1 4.14Å; W192-Y290 AromaticContact CH2-CE1 3.93Å; W192-Y290 HydrophobicContact CH2-CE1 3.93Å; I286-Y290 WeakPolarHBondContact O-CB 3.34Å; I286-Y290 PolarHBondContact O-N 3.13Å; T287-Y290 PolarHBondContact O-N 3.42Å; A288-Y290 VanDerWaalsContact C-N 3.33Å; A288-Y290 PolarHBondContact O-N 3.47Å; Y290-L292 PolarHBondContact O-N 2.9Å; Y290-G293 WeakPolarHBondContact O-CA 3.33Å; Y290-G293 PolarHBondContact O-N 3.3Å
291	I	98.1	Very high	95.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57.6	-38.9	177.5	-71.9	168.6	0	0	0	110.9	I160 T161 W192 W195 I199 T287 A288 G293 I577	I160-I291 VanDerWaalsContact CA-O 3.29Å; I160-I291 WeakPolarHBondContact CA-O 3.22Å; I160-I291 HydrophobicContact CG2-CG2 4.43Å; T161-I291 PolarHBondContact N-O 3.29Å; T161-I291 VanDerWaalsContact OG1-CA 3.29Å; T161-I291 WeakPolarHBondContact OG1-CA 3.3Å; T161-I291 PolarHBondContact OG1-N 2.79Å; W192-I291 HydrophobicContact CH2-CD1 4.28Å; W192-I291 HydrophobicContact CH2-CG1 4Å; W192-I291 HydrophobicContact CZ3-CD1 4.03Å; W192-I291 HydrophobicContact CZ3-CG1 4.17Å; W195-I291 HydrophobicContact CB-CD1 3.8Å; W195-I291 HydrophobicContact CD2-CD1 3.88Å; W195-I291 HydrophobicContact CE3-CD1 3.5Å; W195-I291 VanDerWaalsContact CE3-CD1 3.5Å; W195-I291 HydrophobicContact CG-CD1 4.05Å; W195-I291 HydrophobicContact CZ3-CD1 4.27Å; I199-I291 HydrophobicContact CB-CG2 3.89Å; I199-I291 HydrophobicContact CD1-CG2 4.02Å; I199-I291 HydrophobicContact CG1-CG2 3.72Å; I199-I291 HydrophobicContact CG2-CG2 4.27Å; T287-I291 HydrophobicContact CG2-CD1 3.79Å; T287-I291 HydrophobicContact CG2-CG1 4.47Å; T287-I291 WeakPolarHBondContact O-CG1 3.41Å; T287-I291 PolarHBondContact O-N 2.95Å; A288-I291 PolarHBondContact O-N 3.22Å; I291-G293 PolarHBondContact O-N 3.38Å; I291-I577 HydrophobicContact CD1-CD1 4.42Å; I291-I577 HydrophobicContact CG2-CD1 3.97Å
292	L	97.2	Very high	95	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-4.9	174.9	-74	171.6	0	0	0	113.8	I160 L242 R245 A288 L289 Y290 I577 L580 N581 L584	I160-L292 HydrophobicContact CD1-CD2 4.47Å; L242-L292 HydrophobicContact CD1-CD2 4.04Å; R245-L292 PolarHBondContact NH2-O 3.22Å; A288-L292 WeakPolarHBondContact O-CB 3.32Å; A288-L292 VanDerWaalsContact O-CG 3.31Å; A288-L292 WeakPolarHBondContact O-CG 3.36Å; A288-L292 PolarHBondContact O-N 3.35Å; L289-L292 PolarHBondContact O-N 2.85Å; Y290-L292 PolarHBondContact O-N 2.9Å; L292-I577 HydrophobicContact CD2-CG2 3.78Å; L292-I577 HydrophobicContact CG-CG2 4.17Å; L292-L580 HydrophobicContact CD1-CB 4.48Å; L292-L580 HydrophobicContact CD1-CD2 4.27Å; L292-L580 HydrophobicContact CD1-CG 4.25Å; L292-N581 HydrophobicContact CD1-CB 4.2Å; L292-N581 HydrophobicContact CD2-CB 4.01Å; L292-L584 HydrophobicContact CD1-CD1 3.89Å
293	G	95.9	Very high	94.6	Very high	2 Å²	2	17.6 Å²	17.6	2%	0.021	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	17.2	169.6	0	0	0	0	0	115.9	Q159 K247 L289 Y290 I291	Q159-G293 WeakPolarHBondContact O-CA 3.47Å; K247-G293 WeakPolarHBondContact CD-O 3.36Å; K247-G293 WeakPolarHBondContact CE-O 3.45Å; K247-G293 WeakPolarHBondContact CG-O 3.37Å; L289-G293 PolarHBondContact O-N 2.75Å; Y290-G293 WeakPolarHBondContact O-CA 3.33Å; Y290-G293 PolarHBondContact O-N 3.3Å; I291-G293 PolarHBondContact O-N 3.38Å
294	H	96.3	Very high	94.2	Very high	10 Å²	10	21.5 Å²	21.5	5%	0.046	12%	0.118	C	C	.	.			trans	-79	159.1	179.4	-63.5	-65.2	0	0	0	112.3	R245 L248 I250 L289 L296 L584	R245-H294 PolarHBondContact NH1-CE1 2.95Å; R245-H294 PolarHBondContact NH1-NE2 2.8Å; L248-H294 PolarHBondContact N-ND1 3.03Å; I250-H294 HydrophobicContact CD1-CB 3.81Å; I250-H294 HydrophobicContact CG1-CB 4.44Å; L289-H294 PolarHBondContact O-CD2 3.27Å; L289-H294 PolarHBondContact O-N 3.2Å; H294-L296 HydrophobicContact CB-CD2 3.97Å; H294-L584 WeakPolarHBondContact NE2-CD1 3.28Å
295	N	94.6	Very high	93.7	Very high	73 Å²	73	21.4 Å²	21.4	39%	0.39	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	122.5	171.7	-174	28.3	0	0	0	109.1	L248 N249 I250	L248-N295 PolarHBondContact O-N 2.72Å; N249-N295 WeakPolarHBondContact OD1-CB 3.33Å; N249-N295 PolarHBondContact OD1-ND2 3.2Å; I250-N295 PolarHBondContact N-O 3.46Å
296	L	96.2	Very high	93.1	Very high	8 Å²	8	24 Å²	24	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.7	-172.2	-49.4	-175.3	0	0	0	110.7	L170 I250 L252 I286 L289 H294	L170-L296 HydrophobicContact CD1-CB 4.48Å; L170-L296 HydrophobicContact CD1-CD1 4.42Å; I250-L296 HydrophobicContact CB-CD2 4.04Å; I250-L296 HydrophobicContact CD1-CD2 4.37Å; I250-L296 WeakPolarHBondContact O-CA 3.27Å; L252-L296 HydrophobicContact CD1-CB 4.01Å; L252-L296 HydrophobicContact CD1-CD2 4.19Å; L252-L296 HydrophobicContact CD1-CG 4.46Å; I286-L296 HydrophobicContact CG2-CD1 4.29Å; L289-L296 HydrophobicContact CB-CD1 4.06Å; L289-L296 HydrophobicContact CB-CD2 3.74Å; L289-L296 HydrophobicContact CD1-CD2 4.23Å; H294-L296 HydrophobicContact CB-CD2 3.97Å
297	T	94	Very high	92.4	Very high	40 Å²	40	27.7 Å²	27.7	25%	0.245	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.1	165.3	-56.7	0	0	0	0	108.4	I250 L251 L252 I299 L308 Y324	I250-T297 PolarHBondContact O-N 2.93Å; L251-T297 HydrophobicContact CD1-CG2 3.96Å; L252-T297 PolarHBondContact N-O 2.87Å; T297-I299 HydrophobicContact CG2-CD1 4.12Å; T297-I299 HydrophobicContact CG2-CG1 4.14Å; T297-L308 HydrophobicContact CG2-CD1 4.27Å; T297-Y324 WeakPolarHBondContact CB-OH 3.36Å; T297-Y324 WeakPolarHBondContact CG2-OH 3.42Å; T297-Y324 PolarHBondContact OG1-OH 3.36Å
298	I	93	Very high	91.7	Very high	28 Å²	28	30.4 Å²	30.4	14%	0.144	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.6	-177.6	-58.8	173.2	0	0	0	109	L171 L252 L254 I286 Y300	L171-I298 HydrophobicContact CD2-CD1 3.8Å; L252-I298 HydrophobicContact CB-CG1 4.37Å; L252-I298 HydrophobicContact CD1-CG1 4.1Å; L252-I298 WeakPolarHBondContact O-CA 3.22Å; L254-I298 HydrophobicContact CD1-CG2 4.22Å; I286-I298 HydrophobicContact CD1-CD1 3.96Å; I286-I298 HydrophobicContact CG1-CD1 4.19Å; I286-I298 HydrophobicContact CG2-CD1 3.84Å; I298-Y300 HydrophobicContact CG2-CE1 4.36Å
299	I	91.1	Very high	90.8	Very high	20 Å²	20	30.5 Å²	30.5	10%	0.103	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	143.4	-177	-61.9	-174.7	0	0	0	109.8	L251 L252 H253 L254 T297 E301 N304 A305 L308	L251-I299 HydrophobicContact CD1-CB 4.49Å; L251-I299 HydrophobicContact CD1-CD1 3.78Å; L251-I299 HydrophobicContact CD1-CG1 4.05Å; L252-I299 PolarHBondContact O-N 2.9Å; H253-I299 CarbonylContact C-O 3.28Å; H253-I299 VanDerWaalsContact CA-O 3.3Å; H253-I299 WeakPolarHBondContact CA-O 3.42Å; L254-I299 PolarHBondContact N-O 3.41Å; T297-I299 HydrophobicContact CG2-CD1 4.12Å; T297-I299 HydrophobicContact CG2-CG1 4.14Å; I299-E301 WeakPolarHBondContact CG2-O 3.37Å; I299-N304 HydrophobicContact CD1-CB 4.36Å; I299-N304 HydrophobicContact CG2-CB 3.69Å; I299-A305 HydrophobicContact CG2-CB 4.26Å; I299-L308 HydrophobicContact CD1-CD1 3.18Å; I299-L308 HydrophobicContact CD1-CG 4.28Å
300	Y	88.5	Confident	89.5	Confident	16 Å²	16	32.5 Å²	32.5	6%	0.063	18%	0.184	C	C	.	.			trans	-105.3	-32.3	178.3	-52.9	-73.9	0	0	0	112.3	H177 L254 E255 L257 I298	H177-Y300 AromaticContact CD2-CD2 3.34Å; H177-Y300 WeakPolarHBondContact CD2-CD2 3.3Å; H177-Y300 AromaticContact CD2-CE2 3.73Å; H177-Y300 AromaticContact CD2-CG 3.54Å; H177-Y300 WeakPolarHBondContact NE2-CB 3.46Å; H177-Y300 AromaticContact NE2-CD2 3.56Å; H177-Y300 AromaticContact NE2-CG 3.47Å; L254-Y300 HydrophobicContact CB-CD1 4Å; L254-Y300 HydrophobicContact CB-CE1 4.36Å; L254-Y300 HydrophobicContact CD2-CE1 4.29Å; E255-Y300 WeakPolarHBondContact CA-O 3.45Å; E255-Y300 VanDerWaalsContact OE2-O 3.04Å; L257-Y300 HydrophobicContact CB-CD1 3.97Å; L257-Y300 HydrophobicContact CD1-CD1 3.91Å; L257-Y300 HydrophobicContact CD1-CE1 3.78Å; I298-Y300 HydrophobicContact CG2-CE1 4.36Å
301	E	87.5	Confident	87.5	Confident	38 Å²	38	33.9 Å²	33.9	18%	0.178	19%	0.189	C	C	.	.			trans	-99.9	130.8	-172.8	-60.2	-56.8	147.2	0	0	113.1	S258 D259 I299 T303 N304 A305	S258-E301 VanDerWaalsContact CA-OE1 3.32Å; S258-E301 WeakPolarHBondContact CA-OE1 3.15Å; S258-E301 PolarHBondContact OG-OE1 3.4Å; S258-E301 PolarHBondContact OG-OE2 2.66Å; D259-E301 PolarHBondContact N-OE1 3.4Å; I299-E301 WeakPolarHBondContact CG2-O 3.37Å; E301-T303 PolarHBondContact O-N 3.39Å; E301-N304 PolarHBondContact O-N 3.49Å; E301-N304 VanDerWaalsContact O-N 3.12Å; E301-A305 PolarHBondContact O-N 3.42Å; E301-A305 VanDerWaalsContact O-N 3.1Å
302	A	85.7	Confident	85.3	Confident	11 Å²	11	37.9 Å²	37.9	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-57.1	-31.5	176.5	0	0	0	0	0	113.5	E255 N304 A305 K306 R336	E255-A302 WeakPolarHBondContact OE2-CA 3.38Å; E255-A302 WeakPolarHBondContact OE2-CB 3.3Å; E255-A302 PolarHBondContact OE2-N 3.12Å; A302-N304 VanDerWaalsContact C-N 3.35Å; A302-N304 PolarHBondContact O-N 3.29Å; A302-A305 PolarHBondContact O-N 3.44Å; A302-K306 WeakPolarHBondContact O-CB 3.44Å; A302-K306 VanDerWaalsContact O-CG 3.27Å; A302-K306 WeakPolarHBondContact O-CG 3.01Å; A302-K306 PolarHBondContact O-N 3.01Å; A302-R336 HydrophobicContact CB-CB 3.95Å
303	T	86.7	Confident	83	Confident	100 Å²	100	44.1 Å²	44.1	61%	0.613	25%	0.25	S	S	*	.	H	α-helix	trans	-62.2	-43	177.2	45.7	0	0	0	0	112	E301 S307	E301-T303 PolarHBondContact O-N 3.39Å; T303-S307 PolarHBondContact O-N 2.8Å
304	N	87	Confident	80.9	Confident	85 Å²	85	51.8 Å²	51.8	46%	0.455	29%	0.285	S	S	.	.	H	α-helix	trans	-71.1	-44.8	179.6	-66.3	56.9	0	0	0	109.6	I299 E301 A302 K306 S307 L308	I299-N304 HydrophobicContact CD1-CB 4.36Å; I299-N304 HydrophobicContact CG2-CB 3.69Å; E301-N304 PolarHBondContact O-N 3.49Å; E301-N304 VanDerWaalsContact O-N 3.12Å; A302-N304 VanDerWaalsContact C-N 3.35Å; A302-N304 PolarHBondContact O-N 3.29Å; N304-K306 PolarHBondContact O-N 2.65Å; N304-S307 PolarHBondContact O-N 3.32Å; N304-S307 VanDerWaalsContact O-N 3.12Å; N304-S307 PolarHBondContact O-OG 3.45Å; N304-L308 PolarHBondContact O-N 3.23Å; N304-L308 VanDerWaalsContact O-N 3.15Å
305	A	87	Confident	79.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-44.6	175.6	0	0	0	0	0	111.7	H253 I299 E301 A302 S307 L308 L309 L337	H253-A305 HydrophobicContact CB-CB 4.46Å; I299-A305 HydrophobicContact CG2-CB 4.26Å; E301-A305 PolarHBondContact O-N 3.42Å; E301-A305 VanDerWaalsContact O-N 3.1Å; A302-A305 PolarHBondContact O-N 3.44Å; A305-S307 VanDerWaalsContact C-N 3.33Å; A305-S307 PolarHBondContact O-N 2.96Å; A305-L308 PolarHBondContact O-N 2.98Å; A305-L309 WeakPolarHBondContact O-CB 3.48Å; A305-L309 VanDerWaalsContact O-CG 3.24Å; A305-L309 WeakPolarHBondContact O-CG 3.35Å; A305-L309 PolarHBondContact O-N 2.85Å; A305-L337 HydrophobicContact CB-CD2 3.69Å
306	K	85.3	Confident	77.5	Confident	55 Å²	55	53.7 Å²	53.7	24%	0.239	30%	0.298	C	S	.	.	H	α-helix	trans	-57.5	-43.4	172.3	-77.8	-176.4	-174.9	-166.3	0	112.1	A302 N304 L308 L309 S310 R336 L337	A302-K306 WeakPolarHBondContact O-CB 3.44Å; A302-K306 VanDerWaalsContact O-CG 3.27Å; A302-K306 WeakPolarHBondContact O-CG 3.01Å; A302-K306 PolarHBondContact O-N 3.01Å; N304-K306 PolarHBondContact O-N 2.65Å; K306-L308 VanDerWaalsContact C-N 3.26Å; K306-L308 PolarHBondContact O-N 3.12Å; K306-L309 PolarHBondContact O-N 3.39Å; K306-S310 WeakPolarHBondContact O-CA 3.45Å; K306-S310 WeakPolarHBondContact O-CB 3.45Å; K306-S310 PolarHBondContact O-N 2.77Å; K306-S310 PolarHBondContact O-OG 2.79Å; K306-R336 WeakPolarHBondContact CE-O 3.28Å; K306-R336 PolarHBondContact NZ-O 3.34Å; K306-L337 WeakPolarHBondContact CE-O 3.05Å; K306-L337 HydrophobicContact CG-CD2 3.76Å
307	S	83.2	Confident	75.9	Confident	80 Å²	80	53.3 Å²	53.3	56%	0.559	30%	0.296	S	S	*	.	H	α-helix	trans	-62.8	-32.5	-179.4	74.8	0	0	0	0	113.4	T303 N304 A305	T303-S307 PolarHBondContact O-N 2.8Å; N304-S307 PolarHBondContact O-N 3.32Å; N304-S307 VanDerWaalsContact O-N 3.12Å; N304-S307 PolarHBondContact O-OG 3.45Å; A305-S307 VanDerWaalsContact C-N 3.33Å; A305-S307 PolarHBondContact O-N 2.96Å
308	L	82.9	Confident	73.9	Confident	56 Å²	56	55.3 Å²	55.3	29%	0.293	30%	0.304	S	S	.	.	H	α-helix	trans	-82.3	-33	177.5	-65.6	-178	0	0	0	113	L251 T297 I299 N304 A305 K306 Y324	L251-L308 HydrophobicContact CD1-CD1 4.46Å; T297-L308 HydrophobicContact CG2-CD1 4.27Å; I299-L308 HydrophobicContact CD1-CD1 3.18Å; I299-L308 HydrophobicContact CD1-CG 4.28Å; N304-L308 PolarHBondContact O-N 3.23Å; N304-L308 VanDerWaalsContact O-N 3.15Å; A305-L308 PolarHBondContact O-N 2.98Å; K306-L308 VanDerWaalsContact C-N 3.26Å; K306-L308 PolarHBondContact O-N 3.12Å; L308-Y324 HydrophobicContact CB-CE2 4.18Å; L308-Y324 HydrophobicContact CD1-CE2 4.45Å
309	L	80.7	Confident	72.1	Confident	3 Å²	3	56 Å²	56	2%	0.016	31%	0.307	C	S	.	.	H	α-helix	trans	-88.2	-17.1	-179.6	-62	178.2	0	0	0	113.3	L251 A305 K306 Y324 I327 L337 I342 F349	L251-L309 HydrophobicContact CD2-CD1 3.97Å; L251-L309 HydrophobicContact CD2-CD2 3.77Å; L251-L309 HydrophobicContact CD2-CG 3.91Å; A305-L309 WeakPolarHBondContact O-CB 3.48Å; A305-L309 VanDerWaalsContact O-CG 3.24Å; A305-L309 WeakPolarHBondContact O-CG 3.35Å; A305-L309 PolarHBondContact O-N 2.85Å; K306-L309 PolarHBondContact O-N 3.39Å; L309-Y324 HydrophobicContact CD2-CD2 4.15Å; L309-I327 HydrophobicContact CD1-CD1 4Å; L309-I327 HydrophobicContact CD2-CD1 3.47Å; L309-I327 VanDerWaalsContact CD2-CD1 3.47Å; L309-I327 HydrophobicContact CD2-CG1 4.29Å; L309-I327 HydrophobicContact CG-CD1 4.39Å; L309-L337 HydrophobicContact CD1-CD1 3.93Å; L309-L337 HydrophobicContact CD1-CD2 4.21Å; L309-I342 HydrophobicContact CB-CB 4.37Å; L309-I342 HydrophobicContact CB-CG2 4.09Å; L309-I342 HydrophobicContact CD1-CD1 4.19Å; L309-F349 HydrophobicContact CD1-CZ 4.43Å
310	S	70.4	Confident	70.1	Confident	42 Å²	42	61.2 Å²	61.2	29%	0.294	33%	0.329	S	S	.	.	S	Bend	trans	-87.3	148.6	177.5	-58.9	0	0	0	0	111.2	K306	K306-S310 WeakPolarHBondContact O-CA 3.45Å; K306-S310 WeakPolarHBondContact O-CB 3.45Å; K306-S310 PolarHBondContact O-N 2.77Å; K306-S310 PolarHBondContact O-OG 2.79Å
311	Y	56.6	Low	68.3	Low	44 Å²	44	60.8 Å²	60.8	17%	0.173	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-66.8	138.4	173.2	-117.6	-100	0	0	0	111.1	N313 L318 M319	Y311-N313 PolarHBondContact O-N 2.99Å; Y311-L318 WeakPolarHBondContact CE1-O 3.38Å; Y311-L318 VanDerWaalsContact OH-C 3.23Å; Y311-L318 PolarHBondContact OH-O 3.15Å; Y311-M319 HydrophobicContact CE2-CE 3.49Å; Y311-M319 VanDerWaalsContact CE2-CE 3.49Å; Y311-M319 WeakPolarHBondContact OH-CA 3.24Å; Y311-M319 WeakPolarHBondContact OH-CE 3.49Å; Y311-M319 WeakPolarHBondContact OH-CG 3.4Å; Y311-M319 PolarHBondContact OH-N 3.3Å
312	S	51.6	Low	66.9	Low	84 Å²	84	61.6 Å²	61.6	59%	0.587	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-64	120.4	151.1	169.4	0	0	0	0	107.4	H314	S312-H314 PolarHBondContact O-N 3.47Å; S312-H314 VanDerWaalsContact O-N 3.16Å
313	N	48.3	Very low	66.3	Low	132 Å²	132	65.3 Å²	65.3	71%	0.706	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	125.1	172.7	-78.2	-29.2	0	0	0	110.2	Y311	Y311-N313 PolarHBondContact O-N 2.99Å
314	H	51.6	Low	66.3	Low	163 Å²	163	61.2 Å²	61.2	76%	0.755	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.4	28.9	153.5	-52.8	-27.8	0	0	0	122.5	S312	S312-H314 PolarHBondContact O-N 3.47Å; S312-H314 VanDerWaalsContact O-N 3.16Å
315	I	58.6	Low	66.2	Low	75 Å²	75	59.8 Å²	59.8	39%	0.385	32%	0.316	S	S	.	.			trans	-148.6	108.1	157.6	-35.9	172.5	0	0	0	112.8	H117 C119 C317 L318	H117-I315 HydrophobicContact CB-CG2 4.22Å; C119-I315 HydrophobicContact CB-CG2 4.25Å; C119-I315 WeakPolarHBondContact SG-CG2 3.47Å; I315-C317 VanDerWaalsContact C-N 3.31Å; I315-C317 WeakPolarHBondContact CG2-SG 3.38Å; I315-C317 PolarHBondContact O-N 3.43Å; I315-L318 HydrophobicContact CB-CB 4.41Å; I315-L318 HydrophobicContact CB-CD1 4.34Å; I315-L318 HydrophobicContact CD1-CD1 3.66Å; I315-L318 HydrophobicContact CG2-CD1 4.44Å; I315-L318 PolarHBondContact O-N 3.48Å
316	P	61.2	Low	66.5	Low	48 Å²	48	60.6 Å²	60.6	31%	0.312	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.1	-176.6	-30.7	40.1	0	0	0	115.9	H117 Y120 L318	H117-P316 WeakPolarHBondContact CD2-CD 3.41Å; H117-P316 WeakPolarHBondContact CE1-CD 3.48Å; H117-P316 WeakPolarHBondContact CE1-CG 3.42Å; H117-P316 WeakPolarHBondContact NE2-CD 3.49Å; Y120-P316 VanDerWaalsContact OH-CB 3.24Å; Y120-P316 WeakPolarHBondContact OH-CB 3.24Å; P316-L318 VanDerWaalsContact C-N 3.33Å; P316-L318 PolarHBondContact O-N 2.95Å
317	C	62.3	Low	67	Low	0 Å²	0	58 Å²	58	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-18.4	-178.1	61.5	0	0	0	0	114.8	C119 Y120 L123 Y135 I315	C119-C317 HydrophobicContact CB-CB 3.89Å; C119-C317 WeakPolarHBondContact CB-SG 3.47Å; C119-C317 WeakPolarHBondContact SG-CB 2.92Å; C119-C317 CovalentContact SG-SG 1.94Å; C119-C317 PolarHBondContact SG-SG 3.16Å; Y120-C317 HydrophobicContact CD1-CB 3.51Å; Y120-C317 HydrophobicContact CD2-CB 3.99Å; Y120-C317 VanDerWaalsContact CE1-CA 3.49Å; Y120-C317 HydrophobicContact CE1-CB 3.39Å; Y120-C317 HydrophobicContact CE2-CB 3.91Å; Y120-C317 HydrophobicContact CG-CB 3.8Å; Y120-C317 PolarHBondContact OH-N 3.37Å; L123-C317 HydrophobicContact CD1-CB 4.33Å; L123-C317 WeakPolarHBondContact CD1-O 3.45Å; Y135-C317 VanDerWaalsContact OH-C 3.32Å; Y135-C317 WeakPolarHBondContact OH-CA 3.29Å; Y135-C317 PolarHBondContact OH-O 3.07Å; I315-C317 VanDerWaalsContact C-N 3.31Å; I315-C317 WeakPolarHBondContact CG2-SG 3.38Å; I315-C317 PolarHBondContact O-N 3.43Å
318	L	53.8	Low	67.7	Low	81 Å²	81	54.2 Å²	54.2	42%	0.424	28%	0.282	S	S	.	.			trans	-107.2	84.4	-171.7	-89.8	159.2	0	0	0	108.2	C119 Y311 I315 P316 K320	C119-L318 HydrophobicContact CB-CD1 4.41Å; Y311-L318 WeakPolarHBondContact CE1-O 3.38Å; Y311-L318 VanDerWaalsContact OH-C 3.23Å; Y311-L318 PolarHBondContact OH-O 3.15Å; I315-L318 HydrophobicContact CB-CB 4.41Å; I315-L318 HydrophobicContact CB-CD1 4.34Å; I315-L318 HydrophobicContact CD1-CD1 3.66Å; I315-L318 HydrophobicContact CG2-CD1 4.44Å; I315-L318 PolarHBondContact O-N 3.48Å; P316-L318 VanDerWaalsContact C-N 3.33Å; P316-L318 PolarHBondContact O-N 2.95Å; L318-K320 VanDerWaalsContact C-N 3.26Å; L318-K320 PolarHBondContact O-N 2.83Å
319	M	53.6	Low	68.3	Low	43 Å²	43	51.6 Å²	51.6	21%	0.212	27%	0.268	C	S	.	.			trans	-75	78.3	173.5	-60.5	-128.7	88.5	0	0	110.5	E140 F142 Y311 S321 N322	E140-M319 HydrophobicContact CG-CG 4.28Å; F142-M319 HydrophobicContact CE2-SD 4.38Å; Y311-M319 HydrophobicContact CE2-CE 3.49Å; Y311-M319 VanDerWaalsContact CE2-CE 3.49Å; Y311-M319 WeakPolarHBondContact OH-CA 3.24Å; Y311-M319 WeakPolarHBondContact OH-CE 3.49Å; Y311-M319 WeakPolarHBondContact OH-CG 3.4Å; Y311-M319 PolarHBondContact OH-N 3.3Å; M319-S321 WeakPolarHBondContact CE-OG 3.44Å; M319-S321 PolarHBondContact O-N 2.89Å; M319-N322 PolarHBondContact O-N 3.03Å
320	K	50.5	Low	69	Low	130 Å²	130	52 Å²	52	57%	0.565	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-53.4	-21.3	161.3	-93.6	-167.2	174.9	-170.1	0	111.9	L318 N322 E323	L318-K320 VanDerWaalsContact C-N 3.26Å; L318-K320 PolarHBondContact O-N 2.83Å; K320-N322 PolarHBondContact O-N 3.04Å; K320-E323 WeakPolarHBondContact O-CB 3.39Å; K320-E323 PolarHBondContact O-N 2.99Å
321	S	49.9	Very low	70.1	Confident	7 Å²	7	50.5 Å²	50.5	5%	0.049	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-63.2	-5.9	173.8	60.8	0	0	0	0	115	M319	M319-S321 WeakPolarHBondContact CE-OG 3.44Å; M319-S321 PolarHBondContact O-N 2.89Å
322	N	58	Low	71.7	Confident	54 Å²	54	50 Å²	50	29%	0.289	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-106.2	10.7	171.6	-84.4	-12.7	0	0	0	114.1	M319 K320 Y324 K348	M319-N322 PolarHBondContact O-N 3.03Å; K320-N322 PolarHBondContact O-N 3.04Å; N322-Y324 PolarHBondContact O-N 3.34Å; N322-K348 PolarHBondContact OD1-NZ 3.26Å
323	E	72.3	Confident	73.6	Confident	89 Å²	89	46 Å²	46	42%	0.416	23%	0.232	S	C	.	.	S	Bend	trans	-59.6	-35.3	176.9	-175.5	172	-179.5	0	0	112.4	N249 K320	N249-E323 WeakPolarHBondContact CB-O 3.5Å; N249-E323 PolarHBondContact ND2-O 3.08Å; N249-E323 VanDerWaalsContact ND2-O 3.1Å; K320-E323 WeakPolarHBondContact O-CB 3.39Å; K320-E323 PolarHBondContact O-N 2.99Å
324	Y	86.6	Confident	75.7	Confident	14 Å²	14	40 Å²	40	6%	0.055	20%	0.2	C	C	.	.			trans	-104.7	129.2	177.6	-62.8	-74.7	0	0	0	111.9	N249 L251 T297 L308 L309 N322 K348	N249-Y324 HydrophobicContact CB-CD1 4.3Å; N249-Y324 WeakPolarHBondContact O-CA 3.5Å; L251-Y324 HydrophobicContact CB-CD1 3.63Å; L251-Y324 HydrophobicContact CB-CD2 4.24Å; L251-Y324 HydrophobicContact CB-CE1 3.82Å; L251-Y324 HydrophobicContact CB-CE2 4.41Å; L251-Y324 HydrophobicContact CB-CG 3.85Å; T297-Y324 WeakPolarHBondContact CB-OH 3.36Å; T297-Y324 WeakPolarHBondContact CG2-OH 3.42Å; T297-Y324 PolarHBondContact OG1-OH 3.36Å; L308-Y324 HydrophobicContact CB-CE2 4.18Å; L308-Y324 HydrophobicContact CD1-CE2 4.45Å; L309-Y324 HydrophobicContact CD2-CD2 4.15Å; N322-Y324 PolarHBondContact O-N 3.34Å; Y324-K348 PolarHBondContact O-NZ 3.16Å
325	D	86.8	Confident	77.6	Confident	56 Å²	56	35.9 Å²	35.9	30%	0.299	18%	0.18	S	C	.	.	S	Bend	trans	-77	-39.2	175.2	-60.4	-60.8	0	0	0	111	L248 N249	L248-D325 WeakPolarHBondContact CA-OD2 3.39Å; L248-D325 HydrophobicContact CB-CB 4.13Å; L248-D325 HydrophobicContact CD2-CB 3.99Å; N249-D325 PolarHBondContact N-OD2 3.25Å; N249-D325 PolarHBondContact O-N 3.41Å
326	L	93.5	Very high	79.1	Confident	17 Å²	17	36.2 Å²	36.2	9%	0.089	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	148.1	-179.3	-69.9	174.5	0	0	0	111.5	L248 I250 L251 Y328 L584	L248-L326 HydrophobicContact CD1-CD1 4.06Å; I250-L326 WeakPolarHBondContact CA-O 3.37Å; I250-L326 HydrophobicContact CG1-CB 4.47Å; I250-L326 HydrophobicContact CG2-CB 4.48Å; L251-L326 PolarHBondContact N-O 3.09Å; L326-Y328 HydrophobicContact CB-CE2 4.47Å; L326-L584 HydrophobicContact CD1-CD2 3.45Å; L326-L584 VanDerWaalsContact CD1-CD2 3.45Å
327	I	94.9	Very high	80.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	114.9	177.6	-57.2	165.9	0	0	0	108.7	L251 L309 T344 K348 F349 R350	L251-I327 HydrophobicContact CB-CG1 4.25Å; L251-I327 HydrophobicContact CB-CG2 4.42Å; L251-I327 HydrophobicContact CD2-CG1 4.48Å; L251-I327 HydrophobicContact CD2-CG2 4.21Å; L251-I327 HydrophobicContact CG-CG2 4.42Å; L251-I327 CarbonylContact O-C 3.51Å; L251-I327 WeakPolarHBondContact O-CA 3.45Å; L309-I327 HydrophobicContact CD1-CD1 4Å; L309-I327 HydrophobicContact CD2-CD1 3.47Å; L309-I327 VanDerWaalsContact CD2-CD1 3.47Å; L309-I327 HydrophobicContact CD2-CG1 4.29Å; L309-I327 HydrophobicContact CG-CD1 4.39Å; I327-T344 HydrophobicContact CD1-CG2 3.61Å; I327-K348 PolarHBondContact N-O 3.33Å; I327-F349 HydrophobicContact CB-CD1 4.04Å; I327-F349 HydrophobicContact CB-CE1 4.12Å; I327-F349 HydrophobicContact CB-CG 4.5Å; I327-F349 HydrophobicContact CD1-CE1 3.98Å; I327-F349 HydrophobicContact CD1-CE2 4.04Å; I327-F349 HydrophobicContact CD1-CZ 3.69Å; I327-F349 HydrophobicContact CG2-CD1 3.86Å; I327-F349 HydrophobicContact CG2-CE1 3.72Å; I327-F349 CarbonylContact O-C 3.53Å; I327-F349 WeakPolarHBondContact O-CA 3.49Å; I327-R350 PolarHBondContact O-N 2.74Å
328	Y	97.5	Very high	81.2	Confident	1 Å²	1	35.3 Å²	35.3	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.6	168.2	-70.2	-90.5	0	0	0	109.1	I250 L251 L252 H253 L285 L289 L326 R350 L352 Y379	I250-Y328 HydrophobicContact CG2-CD2 3.55Å; I250-Y328 HydrophobicContact CG2-CE2 3.8Å; L251-Y328 PolarHBondContact O-N 3.32Å; L252-Y328 WeakPolarHBondContact CA-O 3.5Å; H253-Y328 PolarHBondContact N-O 3.37Å; L285-Y328 HydrophobicContact CD1-CD1 4.47Å; L285-Y328 HydrophobicContact CD1-CE1 4.14Å; L285-Y328 HydrophobicContact CD2-CD1 3.65Å; L285-Y328 HydrophobicContact CD2-CE1 4.13Å; L285-Y328 HydrophobicContact CD2-CG 3.92Å; L289-Y328 HydrophobicContact CD1-CD2 4.27Å; L289-Y328 HydrophobicContact CD1-CE2 4.07Å; L326-Y328 HydrophobicContact CB-CE2 4.47Å; Y328-R350 WeakPolarHBondContact CA-O 3.3Å; Y328-R350 HydrophobicContact CD1-CB 3.46Å; Y328-R350 VanDerWaalsContact CD1-CB 3.46Å; Y328-R350 HydrophobicContact CD1-CG 4.21Å; Y328-R350 HydrophobicContact CE1-CB 3.52Å; Y328-R350 HydrophobicContact CE1-CG 3.84Å; Y328-R350 HydrophobicContact CG-CB 4.14Å; Y328-L352 HydrophobicContact CD1-CD1 3.82Å; Y328-Y379 HydrophobicContact CE1-CD1 4.24Å; Y328-Y379 HydrophobicContact CE1-CE1 4.05Å
329	T	96.3	Very high	81.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	175.6	173.9	-168.6	0	0	0	0	110	H253 G333 F334 F349 R350 I351 L352	H253-T329 PolarHBondContact ND1-OG1 3Å; H253-T329 VanDerWaalsContact O-CA 3.3Å; H253-T329 WeakPolarHBondContact O-CA 3.04Å; H253-T329 PolarHBondContact O-OG1 3.13Å; T329-G333 WeakPolarHBondContact OG1-CA 3.47Å; T329-F334 HydrophobicContact CG2-CB 3.89Å; T329-F349 HydrophobicContact CG2-CD1 4.01Å; T329-R350 PolarHBondContact N-O 2.99Å; T329-I351 HydrophobicContact CG2-CD1 3.55Å; T329-I351 CarbonylContact O-C 3.58Å; T329-I351 VanDerWaalsContact O-CA 3.3Å; T329-I351 WeakPolarHBondContact O-CA 3.25Å; T329-L352 PolarHBondContact O-N 3.09Å
330	D	94	Very high	82.5	Confident	12 Å²	12	37.2 Å²	37.2	6%	0.064	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	174.6	169.5	61.6	56	0	0	0	110.6	E255 F256 W282 T332 G333 F334	E255-D330 PolarHBondContact N-OD2 3.26Å; F256-D330 WeakPolarHBondContact CB-OD2 3.35Å; F256-D330 WeakPolarHBondContact CD1-OD2 2.91Å; F256-D330 PolarHBondContact N-OD2 3.36Å; W282-D330 HydrophobicContact CZ2-CB 4.32Å; D330-T332 PolarHBondContact O-N 2.68Å; D330-T332 WeakPolarHBondContact OD1-CA 3.29Å; D330-T332 WeakPolarHBondContact OD1-CB 2.98Å; D330-T332 PolarHBondContact OD1-N 3.15Å; D330-G333 PolarHBondContact O-N 3.31Å; D330-G333 PolarHBondContact OD1-N 3.15Å; D330-F334 PolarHBondContact O-N 3.29Å
331	I	93.4	Very high	83.3	Confident	11 Å²	11	37.1 Å²	37.1	6%	0.056	19%	0.191	C	C	.	.	H	α-helix	trans	-57.5	-38.3	-179.9	-65.4	174.6	0	0	0	111.5	K335 I351 D353 W368 L371	I331-K335 HydrophobicContact CG2-CD 4.39Å; I331-K335 WeakPolarHBondContact O-CG 3.38Å; I331-K335 PolarHBondContact O-N 3.02Å; I331-I351 HydrophobicContact CG1-CG2 3.71Å; I331-D353 HydrophobicContact CD1-CB 4.13Å; I331-D353 HydrophobicContact CG1-CB 4.48Å; I331-W368 HydrophobicContact CB-CE3 4.23Å; I331-W368 HydrophobicContact CD1-CB 4.42Å; I331-W368 HydrophobicContact CG2-CE3 3.78Å; I331-W368 HydrophobicContact CG2-CZ3 4.46Å; I331-L371 HydrophobicContact CG1-CD1 4.37Å; I331-L371 HydrophobicContact CG2-CD1 4.25Å
332	T	90.2	Very high	84.3	Confident	32 Å²	32	37.3 Å²	37.3	20%	0.196	19%	0.191	C	C	.	.	H	α-helix	trans	-67.5	-45	-178.9	-49.5	0	0	0	0	110.5	E255 L261 D330 K335 R336	E255-T332 HydrophobicContact CG-CG2 4.03Å; L261-T332 HydrophobicContact CD1-CG2 4.27Å; L261-T332 HydrophobicContact CD2-CG2 3.68Å; D330-T332 PolarHBondContact O-N 2.68Å; D330-T332 WeakPolarHBondContact OD1-CA 3.29Å; D330-T332 WeakPolarHBondContact OD1-CB 2.98Å; D330-T332 PolarHBondContact OD1-N 3.15Å; T332-K335 PolarHBondContact O-N 2.67Å; T332-R336 WeakPolarHBondContact O-CB 3.49Å; T332-R336 WeakPolarHBondContact O-CG 3.4Å; T332-R336 PolarHBondContact O-N 3Å
333	G	92.2	Very high	84.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-48.8	176.7	0	0	0	0	0	112.1	T329 D330 K335 R336 L337	T329-G333 WeakPolarHBondContact OG1-CA 3.47Å; D330-G333 PolarHBondContact O-N 3.31Å; D330-G333 PolarHBondContact OD1-N 3.15Å; G333-K335 PolarHBondContact O-N 3.43Å; G333-R336 PolarHBondContact O-N 3.26Å; G333-L337 VanDerWaalsContact O-CG 3.31Å; G333-L337 WeakPolarHBondContact O-CG 3.25Å; G333-L337 PolarHBondContact O-N 2.78Å
334	F	93.3	Very high	85.1	Confident	8 Å²	8	39 Å²	39	4%	0.035	19%	0.19	C	C	.	.	H	α-helix	trans	-58.1	-47.3	176.9	-174.8	-99.4	0	0	0	112.4	T329 D330 L337 P339 L346 F349 I351 L371 L373	T329-F334 HydrophobicContact CG2-CB 3.89Å; D330-F334 PolarHBondContact O-N 3.29Å; F334-L337 PolarHBondContact O-N 2.78Å; F334-P339 HydrophobicContact CD1-CG 4.15Å; F334-P339 HydrophobicContact CD2-CG 4.14Å; F334-P339 HydrophobicContact CE1-CG 3.66Å; F334-P339 HydrophobicContact CE2-CB 4.33Å; F334-P339 HydrophobicContact CE2-CG 3.64Å; F334-P339 HydrophobicContact CG-CG 4.38Å; F334-P339 HydrophobicContact CZ-CB 4.1Å; F334-P339 HydrophobicContact CZ-CG 3.37Å; F334-P339 WeakPolarHBondContact O-CD 3.42Å; F334-L346 HydrophobicContact CE2-CD2 4.36Å; F334-L346 HydrophobicContact CZ-CD2 4.22Å; F334-F349 HydrophobicContact CD2-CB 4.43Å; F334-F349 AromaticContact CD2-CD1 3.69Å; F334-F349 HydrophobicContact CD2-CD1 3.69Å; F334-F349 HydrophobicContact CD2-CE1 4.09Å; F334-F349 HydrophobicContact CD2-CG 4.01Å; F334-F349 HydrophobicContact CE2-CB 4.31Å; F334-F349 HydrophobicContact CE2-CD1 4.02Å; F334-F349 HydrophobicContact CE2-CD2 4.19Å; F334-F349 HydrophobicContact CE2-CE1 4.41Å; F334-F349 AromaticContact CE2-CG 3.9Å; F334-F349 HydrophobicContact CE2-CG 3.9Å; F334-I351 HydrophobicContact CB-CD1 3.87Å; F334-I351 HydrophobicContact CD2-CD1 3.7Å; F334-I351 HydrophobicContact CE2-CD1 4.48Å; F334-I351 HydrophobicContact CG-CD1 3.87Å; F334-L371 HydrophobicContact CD1-CD1 4.46Å; F334-L371 HydrophobicContact CD1-CD2 3.78Å; F334-L371 HydrophobicContact CE1-CB 4.42Å; F334-L371 HydrophobicContact CE1-CD2 4.01Å; F334-L373 HydrophobicContact CE1-CD1 4.06Å; F334-L373 HydrophobicContact CE1-CD2 4.41Å; F334-L373 HydrophobicContact CE1-CG 4.35Å; F334-L373 HydrophobicContact CE2-CD1 4.18Å; F334-L373 HydrophobicContact CE2-CD2 4.23Å; F334-L373 HydrophobicContact CZ-CD1 3.89Å; F334-L373 HydrophobicContact CZ-CD2 3.7Å; F334-L373 HydrophobicContact CZ-CG 4.09Å
335	K	91.2	Very high	84.8	Confident	75 Å²	75	40.9 Å²	40.9	33%	0.326	21%	0.205	S	C	.	.	H	α-helix	trans	-63.1	-42.9	177.3	-73.1	-169.7	175.8	-161.5	0	112.1	I331 T332 G333 S338 E366 T367 G369 L371	I331-K335 HydrophobicContact CG2-CD 4.39Å; I331-K335 WeakPolarHBondContact O-CG 3.38Å; I331-K335 PolarHBondContact O-N 3.02Å; T332-K335 PolarHBondContact O-N 2.67Å; G333-K335 PolarHBondContact O-N 3.43Å; K335-S338 PolarHBondContact O-N 2.94Å; K335-S338 VanDerWaalsContact O-N 3.12Å; K335-E366 PolarHBondContact NZ-O 3.4Å; K335-E366 VanDerWaalsContact NZ-O 3.07Å; K335-T367 PolarHBondContact NZ-O 3.47Å; K335-G369 WeakPolarHBondContact CE-O 3.32Å; K335-G369 PolarHBondContact NZ-O 2.97Å; K335-L371 HydrophobicContact CD-CD2 4.28Å; K335-L371 VanDerWaalsContact CE-CD2 3.41Å; K335-L371 HydrophobicContact CG-CD2 3.82Å
336	R	89.2	Confident	84.9	Confident	82 Å²	82	41.2 Å²	41.2	31%	0.309	21%	0.206	S	C	.	.	H	α-helix	trans	-69.3	-32.3	-179.3	-80.1	-173.5	166.9	-173.6	-4.2	113.8	E255 S258 A260 L261 A302 K306 T332 G333 S338	E255-R336 WeakPolarHBondContact OE1-CD 3.37Å; E255-R336 IonicContact OE1-CZ 3.92Å; E255-R336 IonicContact OE1-NE 3.45Å; E255-R336 IonicContact OE1-NH1 3.97Å; E255-R336 PolarHBondContact OE1-NH1 3.17Å; S258-R336 PolarHBondContact OG-NH1 2.93Å; A260-R336 PolarHBondContact O-NH2 2.85Å; L261-R336 VanDerWaalsContact CD2-CZ 3.41Å; L261-R336 VanDerWaalsContact CD2-NH2 3.26Å; A302-R336 HydrophobicContact CB-CB 3.95Å; K306-R336 WeakPolarHBondContact CE-O 3.28Å; K306-R336 PolarHBondContact NZ-O 3.34Å; T332-R336 WeakPolarHBondContact O-CB 3.49Å; T332-R336 WeakPolarHBondContact O-CG 3.4Å; T332-R336 PolarHBondContact O-N 3Å; G333-R336 PolarHBondContact O-N 3.26Å; R336-S338 PolarHBondContact O-N 3.23Å; R336-S338 VanDerWaalsContact O-N 3.13Å
337	L	87.5	Confident	84.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.1	-21.2	172	-76.4	176.3	0	0	0	112.2	A305 K306 L309 G333 F334 I342 F349	A305-L337 HydrophobicContact CB-CD2 3.69Å; K306-L337 WeakPolarHBondContact CE-O 3.05Å; K306-L337 HydrophobicContact CG-CD2 3.76Å; L309-L337 HydrophobicContact CD1-CD1 3.93Å; L309-L337 HydrophobicContact CD1-CD2 4.21Å; G333-L337 VanDerWaalsContact O-CG 3.31Å; G333-L337 WeakPolarHBondContact O-CG 3.25Å; G333-L337 PolarHBondContact O-N 2.78Å; F334-L337 PolarHBondContact O-N 2.78Å; L337-I342 HydrophobicContact CB-CD1 4.44Å; L337-F349 HydrophobicContact CD1-CE1 3.84Å; L337-F349 HydrophobicContact CD1-CZ 4.4Å
338	S	79.7	Confident	84.4	Confident	30 Å²	30	42.1 Å²	42.1	21%	0.21	21%	0.21	C	C	.	.			trans	48.5	75.9	-175.1	-175.6	0	0	0	0	109.5	K335 R336 T340 Q341	K335-S338 PolarHBondContact O-N 2.94Å; K335-S338 VanDerWaalsContact O-N 3.12Å; R336-S338 PolarHBondContact O-N 3.23Å; R336-S338 VanDerWaalsContact O-N 3.13Å; S338-T340 PolarHBondContact O-N 3Å; S338-T340 PolarHBondContact OG-OG1 3.14Å; S338-Q341 WeakPolarHBondContact O-CB 3.22Å; S338-Q341 PolarHBondContact O-N 2.87Å
339	P	69.3	Low	84.3	Confident	29 Å²	29	42 Å²	42	19%	0.188	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-53.2	-24.3	-167.5	-26.4	33.1	0	0	0	114.9	F334 Q341 I342 L346	F334-P339 HydrophobicContact CD1-CG 4.15Å; F334-P339 HydrophobicContact CD2-CG 4.14Å; F334-P339 HydrophobicContact CE1-CG 3.66Å; F334-P339 HydrophobicContact CE2-CB 4.33Å; F334-P339 HydrophobicContact CE2-CG 3.64Å; F334-P339 HydrophobicContact CG-CG 4.38Å; F334-P339 HydrophobicContact CZ-CB 4.1Å; F334-P339 HydrophobicContact CZ-CG 3.37Å; F334-P339 WeakPolarHBondContact O-CD 3.42Å; P339-Q341 PolarHBondContact O-N 3.35Å; P339-I342 WeakPolarHBondContact O-CG1 3.45Å; P339-I342 PolarHBondContact O-N 3.27Å; P339-I342 VanDerWaalsContact O-O 3.07Å; P339-L346 HydrophobicContact CB-CD2 3.5Å; P339-L346 HydrophobicContact CG-CD2 4.43Å
340	T	65.4	Low	84.4	Confident	134 Å²	134	42.5 Å²	42.5	82%	0.822	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-62	-18.8	171.5	54	0	0	0	0	115	S338	S338-T340 PolarHBondContact O-N 3Å; S338-T340 PolarHBondContact OG-OG1 3.14Å
341	Q	67.6	Low	84.5	Confident	128 Å²	128	42 Å²	42	60%	0.598	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-98.4	-12.1	-178.5	-64	178.2	-1.3	0	0	113	S338 P339	S338-Q341 WeakPolarHBondContact O-CB 3.22Å; S338-Q341 PolarHBondContact O-N 2.87Å; P339-Q341 PolarHBondContact O-N 3.35Å
342	I	72.4	Confident	84.7	Confident	12 Å²	12	42 Å²	42	6%	0.062	21%	0.209	C	C	.	.			trans	-108.9	147.5	177.9	59	175.4	0	0	0	109.3	L309 L337 P339 T344 F349	L309-I342 HydrophobicContact CB-CB 4.37Å; L309-I342 HydrophobicContact CB-CG2 4.09Å; L309-I342 HydrophobicContact CD1-CD1 4.19Å; L337-I342 HydrophobicContact CB-CD1 4.44Å; P339-I342 WeakPolarHBondContact O-CG1 3.45Å; P339-I342 PolarHBondContact O-N 3.27Å; P339-I342 VanDerWaalsContact O-O 3.07Å; I342-T344 VanDerWaalsContact C-N 3.34Å; I342-F349 HydrophobicContact CD1-CE2 4.23Å; I342-F349 HydrophobicContact CD1-CZ 3.6Å
343	R	68	Low	85	Confident	170 Å²	170	41 Å²	41	64%	0.642	20%	0.203	S	C	*	.			trans	-90.5	2.7	179.3	-73.9	-171.2	177.5	-174.2	-1	113.4
344	T	77.8	Confident	85.1	Confident	7 Å²	7	42 Å²	42	4%	0.043	21%	0.209	C	C	.	.	S	Bend	trans	-71.1	129.3	179.9	-51.3	0	0	0	0	110.8	I327 I342 L346 K348 F349	I327-T344 HydrophobicContact CD1-CG2 3.61Å; I342-T344 VanDerWaalsContact C-N 3.34Å; T344-L346 PolarHBondContact O-N 2.87Å; T344-K348 HydrophobicContact CG2-CB 4.39Å; T344-K348 HydrophobicContact CG2-CD 4Å; T344-F349 HydrophobicContact CG2-CE2 4.3Å
345	P	81.3	Confident	85.2	Confident	55 Å²	55	42.4 Å²	42.4	36%	0.357	21%	0.211	S	C	.	.			trans	-55.8	130.5	177.5	-27	34.5	0	0	0	112.5	C347 K348	P345-C347 PolarHBondContact O-N 2.68Å; P345-C347 VanDerWaalsContact O-N 3.11Å; P345-K348 HydrophobicContact CB-CG 4.42Å; P345-K348 WeakPolarHBondContact O-CB 3.37Å; P345-K348 PolarHBondContact O-N 3.28Å
346	L	88	Confident	85.4	Confident	62 Å²	62	38.9 Å²	38.9	33%	0.325	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-57.5	-30.7	-178.3	-61.8	-178.4	0	0	0	112.8	F334 P339 T344 K348 F349 L373 Q377 Y595	F334-L346 HydrophobicContact CE2-CD2 4.36Å; F334-L346 HydrophobicContact CZ-CD2 4.22Å; P339-L346 HydrophobicContact CB-CD2 3.5Å; P339-L346 HydrophobicContact CG-CD2 4.43Å; T344-L346 PolarHBondContact O-N 2.87Å; L346-K348 PolarHBondContact O-N 3.39Å; L346-K348 VanDerWaalsContact O-N 3.15Å; L346-F349 WeakPolarHBondContact O-CB 3.44Å; L346-F349 WeakPolarHBondContact O-CD2 3.49Å; L346-F349 PolarHBondContact O-N 2.84Å; L346-F349 VanDerWaalsContact O-N 3.14Å; L346-L373 HydrophobicContact CB-CD2 4.19Å; L346-Q377 PolarHBondContact O-NE2 3.19Å; L346-Y595 HydrophobicContact CB-CE1 3.81Å; L346-Y595 HydrophobicContact CD1-CE1 4.45Å
347	C	88.3	Confident	85.8	Confident	10 Å²	10	35 Å²	35	7%	0.068	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-63	-16.4	178	64.7	0	0	0	0	114.8	P345 F349 R350 I589 C590 Y595	P345-C347 PolarHBondContact O-N 2.68Å; P345-C347 VanDerWaalsContact O-N 3.11Å; C347-F349 VanDerWaalsContact C-N 3.33Å; C347-R350 PolarHBondContact O-NH1 2.55Å; C347-I589 HydrophobicContact CB-CG2 4.19Å; C347-C590 HydrophobicContact CB-CB 3.81Å; C347-C590 WeakPolarHBondContact CB-SG 3.24Å; C347-C590 WeakPolarHBondContact SG-CA 3.5Å; C347-C590 WeakPolarHBondContact SG-CB 3.32Å; C347-C590 CovalentContact SG-SG 2.03Å; C347-C590 PolarHBondContact SG-SG 2.8Å; C347-Y595 HydrophobicContact CB-CD2 3.49Å; C347-Y595 VanDerWaalsContact CB-CD2 3.49Å; C347-Y595 HydrophobicContact CB-CE2 3.55Å; C347-Y595 HydrophobicContact CB-CG 4.15Å
348	K	90.8	Very high	86.1	Confident	26 Å²	26	35.6 Å²	35.6	11%	0.113	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-79.7	-14.2	176.4	-68.3	-171.7	169.6	-172.5	0	113.4	N322 Y324 I327 T344 P345 L346	N322-K348 PolarHBondContact OD1-NZ 3.26Å; Y324-K348 PolarHBondContact O-NZ 3.16Å; I327-K348 PolarHBondContact N-O 3.33Å; T344-K348 HydrophobicContact CG2-CB 4.39Å; T344-K348 HydrophobicContact CG2-CD 4Å; P345-K348 HydrophobicContact CB-CG 4.42Å; P345-K348 WeakPolarHBondContact O-CB 3.37Å; P345-K348 PolarHBondContact O-N 3.28Å; L346-K348 PolarHBondContact O-N 3.39Å; L346-K348 VanDerWaalsContact O-N 3.15Å
349	F	94.7	Very high	86.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	144.2	-178.7	-72.5	-95	0	0	0	112.1	L309 I327 T329 F334 L337 I342 T344 L346 C347 I351 Q377	L309-F349 HydrophobicContact CD1-CZ 4.43Å; I327-F349 HydrophobicContact CB-CD1 4.04Å; I327-F349 HydrophobicContact CB-CE1 4.12Å; I327-F349 HydrophobicContact CB-CG 4.5Å; I327-F349 HydrophobicContact CD1-CE1 3.98Å; I327-F349 HydrophobicContact CD1-CE2 4.04Å; I327-F349 HydrophobicContact CD1-CZ 3.69Å; I327-F349 HydrophobicContact CG2-CD1 3.86Å; I327-F349 HydrophobicContact CG2-CE1 3.72Å; I327-F349 CarbonylContact O-C 3.53Å; I327-F349 WeakPolarHBondContact O-CA 3.49Å; T329-F349 HydrophobicContact CG2-CD1 4.01Å; F334-F349 HydrophobicContact CD2-CB 4.43Å; F334-F349 AromaticContact CD2-CD1 3.69Å; F334-F349 HydrophobicContact CD2-CD1 3.69Å; F334-F349 HydrophobicContact CD2-CE1 4.09Å; F334-F349 HydrophobicContact CD2-CG 4.01Å; F334-F349 HydrophobicContact CE2-CB 4.31Å; F334-F349 HydrophobicContact CE2-CD1 4.02Å; F334-F349 HydrophobicContact CE2-CD2 4.19Å; F334-F349 HydrophobicContact CE2-CE1 4.41Å; F334-F349 AromaticContact CE2-CG 3.9Å; F334-F349 HydrophobicContact CE2-CG 3.9Å; L337-F349 HydrophobicContact CD1-CE1 3.84Å; L337-F349 HydrophobicContact CD1-CZ 4.4Å; I342-F349 HydrophobicContact CD1-CE2 4.23Å; I342-F349 HydrophobicContact CD1-CZ 3.6Å; T344-F349 HydrophobicContact CG2-CE2 4.3Å; L346-F349 WeakPolarHBondContact O-CB 3.44Å; L346-F349 WeakPolarHBondContact O-CD2 3.49Å; L346-F349 PolarHBondContact O-N 2.84Å; L346-F349 VanDerWaalsContact O-N 3.14Å; C347-F349 VanDerWaalsContact C-N 3.33Å; F349-I351 HydrophobicContact CB-CD1 4.02Å; F349-Q377 PolarHBondContact O-NE2 3.08Å
350	R	97.5	Very high	88	Confident	10 Å²	10	36.5 Å²	36.5	4%	0.038	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	114.3	170.4	-58.8	-60.8	-176	-83.9	-1.5	107	I327 Y328 T329 C347 Q377 Y379 Q587	I327-R350 PolarHBondContact O-N 2.74Å; Y328-R350 WeakPolarHBondContact CA-O 3.3Å; Y328-R350 HydrophobicContact CD1-CB 3.46Å; Y328-R350 VanDerWaalsContact CD1-CB 3.46Å; Y328-R350 HydrophobicContact CD1-CG 4.21Å; Y328-R350 HydrophobicContact CE1-CB 3.52Å; Y328-R350 HydrophobicContact CE1-CG 3.84Å; Y328-R350 HydrophobicContact CG-CB 4.14Å; T329-R350 PolarHBondContact N-O 2.99Å; C347-R350 PolarHBondContact O-NH1 2.55Å; R350-Q377 CarbonylContact C-O 3.52Å; R350-Y379 HydrophobicContact CB-CD2 4.38Å; R350-Y379 HydrophobicContact CB-CE2 4.24Å; R350-Y379 VanDerWaalsContact CD-CE2 3.46Å; R350-Y379 WeakPolarHBondContact CD-OH 3.39Å; R350-Y379 HydrophobicContact CG-CE2 4.27Å; R350-Y379 PolarHBondContact NE-OH 2.69Å; R350-Q587 PolarHBondContact NH2-O 3.45Å
351	I	97.6	Very high	89.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	109	-170	-49	-53.1	0	0	0	108.9	T329 I331 F334 F349 D353 L373 Q377 F378 Y379	T329-I351 HydrophobicContact CG2-CD1 3.55Å; T329-I351 CarbonylContact O-C 3.58Å; T329-I351 VanDerWaalsContact O-CA 3.3Å; T329-I351 WeakPolarHBondContact O-CA 3.25Å; I331-I351 HydrophobicContact CG1-CG2 3.71Å; F334-I351 HydrophobicContact CB-CD1 3.87Å; F334-I351 HydrophobicContact CD2-CD1 3.7Å; F334-I351 HydrophobicContact CE2-CD1 4.48Å; F334-I351 HydrophobicContact CG-CD1 3.87Å; F349-I351 HydrophobicContact CB-CD1 4.02Å; I351-D353 PolarHBondContact O-N 2.98Å; I351-L373 HydrophobicContact CD1-CD1 4.18Å; I351-L373 HydrophobicContact CG1-CD1 3.63Å; I351-Q377 PolarHBondContact N-O 3.38Å; I351-F378 HydrophobicContact CB-CD1 3.91Å; I351-F378 HydrophobicContact CB-CE1 4.19Å; I351-F378 HydrophobicContact CG1-CD1 4.48Å; I351-F378 HydrophobicContact CG1-CE1 4.35Å; I351-F378 HydrophobicContact CG2-CD1 4.03Å; I351-F378 HydrophobicContact CG2-CE1 4.14Å; I351-F378 CarbonylContact O-C 3.55Å; I351-F378 WeakPolarHBondContact O-CA 3.08Å; I351-Y379 PolarHBondContact O-N 2.74Å
352	L	97.6	Very high	90.7	Very high	11 Å²	11	25.4 Å²	25.4	6%	0.058	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	116.6	172.5	-83.3	70.4	0	0	0	108.8	Q281 W282 L285 Y328 T329 L391	Q281-L352 HydrophobicContact CG-CD2 3.92Å; W282-L352 HydrophobicContact CD2-CD2 3.67Å; W282-L352 HydrophobicContact CE3-CD2 4.04Å; W282-L352 HydrophobicContact CG-CD2 4.16Å; W282-L352 HydrophobicContact CH2-CD1 4.07Å; W282-L352 HydrophobicContact CH2-CD2 4.21Å; W282-L352 HydrophobicContact CZ2-CB 4.14Å; W282-L352 HydrophobicContact CZ2-CD1 4.23Å; W282-L352 HydrophobicContact CZ2-CD2 3.86Å; W282-L352 HydrophobicContact CZ2-CG 4.29Å; W282-L352 HydrophobicContact CZ3-CD1 4.44Å; W282-L352 HydrophobicContact CZ3-CD2 4.29Å; L285-L352 HydrophobicContact CD2-CD1 4.04Å; L285-L352 HydrophobicContact CD2-CD2 4.11Å; Y328-L352 HydrophobicContact CD1-CD1 3.82Å; T329-L352 PolarHBondContact O-N 3.09Å; L352-L391 HydrophobicContact CD1-CD2 4.37Å; L352-L391 HydrophobicContact CD2-CD2 4.09Å; L352-L391 HydrophobicContact CG-CD2 4.11Å
353	D	96.2	Very high	91.7	Very high	12 Å²	12	26.5 Å²	26.5	6%	0.064	12%	0.123	C	C	.	.			trans	-139.1	97.8	-176.9	174.3	11.3	0	0	0	108.9	I331 I351 F355 G356 T357 F378 Y379 T380	I331-D353 HydrophobicContact CD1-CB 4.13Å; I331-D353 HydrophobicContact CG1-CB 4.48Å; I351-D353 PolarHBondContact O-N 2.98Å; D353-F355 VanDerWaalsContact C-N 3.3Å; D353-F355 PolarHBondContact O-N 3.08Å; D353-G356 PolarHBondContact O-N 3.08Å; D353-G356 PolarHBondContact OD1-N 3.23Å; D353-G356 WeakPolarHBondContact OD2-CA 3.48Å; D353-T357 WeakPolarHBondContact OD2-CB 3.36Å; D353-T357 PolarHBondContact OD2-N 3.49Å; D353-T357 VanDerWaalsContact OD2-N 3.17Å; D353-T357 PolarHBondContact OD2-OG1 3.26Å; D353-F378 HydrophobicContact CB-CB 4.5Å; D353-F378 HydrophobicContact CB-CD1 4.25Å; D353-Y379 PolarHBondContact N-O 2.7Å; D353-T380 WeakPolarHBondContact O-CA 3.34Å
354	T	94.1	Very high	92.9	Very high	21 Å²	21	24 Å²	24	13%	0.129	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-46.7	-171.3	-55	0	0	0	0	113.3	F381 H384	T354-F381 HydrophobicContact CG2-CB 3.75Å; T354-F381 HydrophobicContact CG2-CD1 3.7Å; T354-F381 HydrophobicContact CG2-CG 3.95Å; T354-F381 WeakPolarHBondContact O-CB 3.44Å; T354-F381 PolarHBondContact O-N 3.35Å; T354-H384 PolarHBondContact O-CE1 2.76Å; T354-H384 PolarHBondContact O-NE2 2.78Å; T354-H384 VanDerWaalsContact O-NE2 3.15Å
355	F	94.6	Very high	93.4	Very high	17 Å²	17	30.5 Å²	30.5	8%	0.075	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-10.3	-173	-67.2	-79.4	0	0	0	113.5	D353 H384 S385 F513 F514 K517 T519	D353-F355 VanDerWaalsContact C-N 3.3Å; D353-F355 PolarHBondContact O-N 3.08Å; F355-H384 PolarHBondContact O-CE1 2.91Å; F355-H384 PolarHBondContact O-ND1 2.95Å; F355-S385 PolarHBondContact O-OG 2.99Å; F355-F513 HydrophobicContact CE1-CE1 4.28Å; F355-F513 HydrophobicContact CE2-CE1 4.1Å; F355-F513 HydrophobicContact CE2-CZ 4.08Å; F355-F513 AromaticContact CZ-CE1 3.7Å; F355-F513 HydrophobicContact CZ-CE1 3.7Å; F355-F513 AromaticContact CZ-CZ 3.91Å; F355-F513 HydrophobicContact CZ-CZ 3.91Å; F355-F514 HydrophobicContact CD1-CE1 4.02Å; F355-F514 HydrophobicContact CE1-CE1 4.08Å; F355-F514 HydrophobicContact CE1-CZ 4.45Å; F355-K517 HydrophobicContact CB-CD 4.49Å; F355-K517 HydrophobicContact CD2-CD 3.92Å; F355-K517 HydrophobicContact CE2-CD 4.35Å; F355-K517 HydrophobicContact CG-CD 4.11Å; F355-T519 HydrophobicContact CB-CG2 4.42Å
356	G	96	Very high	93.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.139	C	C	.	.			trans	80.6	163.4	-179.8	0	0	0	0	0	113.8	D353 N388	D353-G356 PolarHBondContact O-N 3.08Å; D353-G356 PolarHBondContact OD1-N 3.23Å; D353-G356 WeakPolarHBondContact OD2-CA 3.48Å; G356-N388 VanDerWaalsContact CA-OD1 3.3Å; G356-N388 WeakPolarHBondContact CA-OD1 3.34Å
357	T	96.8	Very high	93.7	Very high	1 Å²	1	31 Å²	31	1%	0.006	15%	0.148	C	C	.	.			trans	-124.1	119.1	-175.9	-71.9	0	0	0	0	109	D353 N362 L375 F378 N388 P518	D353-T357 WeakPolarHBondContact OD2-CB 3.36Å; D353-T357 PolarHBondContact OD2-N 3.49Å; D353-T357 VanDerWaalsContact OD2-N 3.17Å; D353-T357 PolarHBondContact OD2-OG1 3.26Å; T357-N362 HydrophobicContact CG2-CB 3.84Å; T357-L375 HydrophobicContact CG2-CD2 4.46Å; T357-F378 HydrophobicContact CG2-CD2 4.29Å; T357-F378 HydrophobicContact CG2-CE1 4.35Å; T357-F378 HydrophobicContact CG2-CE2 3.96Å; T357-F378 HydrophobicContact CG2-CZ 4Å; T357-N388 PolarHBondContact N-OD1 2.78Å; T357-N388 PolarHBondContact O-ND2 2.84Å; T357-N388 PolarHBondContact O-OD1 2.84Å; T357-P518 CarbonylContact C-O 3.56Å; T357-P518 WeakPolarHBondContact CA-O 3.16Å; T357-P518 HydrophobicContact CG2-CB 4.19Å; T357-P518 VanDerWaalsContact OG1-CG 3.26Å; T357-P518 WeakPolarHBondContact OG1-CG 3.45Å
358	E	94.9	Very high	93.7	Very high	12 Å²	12	34.4 Å²	34.4	6%	0.056	16%	0.16	C	C	.	.			trans	-82.3	154.7	173.5	-69.6	165.3	-163.2	0	0	111.4	Q360 Y361 N362 P518 T519 S520 R521	E358-Q360 VanDerWaalsContact C-N 3.27Å; E358-Q360 HydrophobicContact CB-CG 4.47Å; E358-Q360 PolarHBondContact O-N 3.06Å; E358-Q360 VanDerWaalsContact O-N 3.13Å; E358-Q360 PolarHBondContact OE2-NE2 2.95Å; E358-Q360 VanDerWaalsContact OE2-NE2 3.09Å; E358-Y361 HydrophobicContact CB-CD2 4.03Å; E358-Y361 HydrophobicContact CB-CE2 4.48Å; E358-Y361 PolarHBondContact O-N 3.46Å; E358-Y361 WeakPolarHBondContact OE2-CE2 3.37Å; E358-N362 PolarHBondContact O-N 3.33Å; E358-P518 PolarHBondContact N-O 3.22Å; E358-T519 PolarHBondContact OE1-OG1 3.37Å; E358-S520 PolarHBondContact OE1-N 2.69Å; E358-S520 PolarHBondContact OE1-OG 3.03Å; E358-S520 WeakPolarHBondContact OE2-CB 3.1Å; E358-S520 PolarHBondContact OE2-N 2.03Å; E358-S520 PolarHBondContact OE2-OG 3.42Å; E358-R521 PolarHBondContact OE1-N 3.32Å; E358-R521 VanDerWaalsContact OE1-N 3.14Å
359	A	94.2	Very high	93.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-49.7	-44.8	-175.3	0	0	0	0	0	113.3	Y361 N362 R363 L375 D755	A359-Y361 VanDerWaalsContact C-N 3.33Å; A359-Y361 PolarHBondContact O-N 3.29Å; A359-N362 WeakPolarHBondContact O-CB 3.35Å; A359-N362 PolarHBondContact O-N 2.99Å; A359-R363 VanDerWaalsContact CB-NH1 3.26Å; A359-R363 WeakPolarHBondContact O-CG 3.49Å; A359-R363 VanDerWaalsContact O-CZ 3.31Å; A359-R363 PolarHBondContact O-N 2.94Å; A359-R363 PolarHBondContact O-NH1 2.67Å; A359-L375 HydrophobicContact CB-CD1 3.56Å; A359-D755 HydrophobicContact CB-CB 3.92Å
360	Q	93	Very high	93.7	Very high	78 Å²	78	33.8 Å²	33.8	36%	0.364	16%	0.161	S	C	.	.	H	α-helix	trans	-60.8	-37	-179.9	65.7	-175.8	-26.1	0	0	114	E358 R363 K364 S520	E358-Q360 VanDerWaalsContact C-N 3.27Å; E358-Q360 HydrophobicContact CB-CG 4.47Å; E358-Q360 PolarHBondContact O-N 3.06Å; E358-Q360 VanDerWaalsContact O-N 3.13Å; E358-Q360 PolarHBondContact OE2-NE2 2.95Å; E358-Q360 VanDerWaalsContact OE2-NE2 3.09Å; Q360-R363 VanDerWaalsContact CA-NH2 3.34Å; Q360-K364 VanDerWaalsContact O-CB 3.28Å; Q360-K364 WeakPolarHBondContact O-CB 3.42Å; Q360-K364 PolarHBondContact O-N 3.36Å; Q360-K364 VanDerWaalsContact O-N 3.11Å; Q360-S520 PolarHBondContact NE2-OG 2.96Å
361	Y	94.5	Very high	93.5	Very high	28 Å²	28	34 Å²	34	11%	0.11	16%	0.163	C	C	.	.	H	α-helix	trans	-87.4	-25.3	-178.8	-56.4	-71.4	0	0	0	111.8	E358 A359 R363 K364 G369 G370 R508 P518	E358-Y361 HydrophobicContact CB-CD2 4.03Å; E358-Y361 HydrophobicContact CB-CE2 4.48Å; E358-Y361 PolarHBondContact O-N 3.46Å; E358-Y361 WeakPolarHBondContact OE2-CE2 3.37Å; A359-Y361 VanDerWaalsContact C-N 3.33Å; A359-Y361 PolarHBondContact O-N 3.29Å; Y361-R363 PolarHBondContact O-N 2.93Å; Y361-K364 PolarHBondContact O-N 3.15Å; Y361-K364 VanDerWaalsContact O-O 3.12Å; Y361-G369 CarbonylContact O-C 3.54Å; Y361-G369 WeakPolarHBondContact O-CA 3.33Å; Y361-G370 PolarHBondContact O-N 2.96Å; Y361-R508 WeakPolarHBondContact OH-CD 3.44Å; Y361-P518 WeakPolarHBondContact CD2-O 3.4Å; Y361-P518 HydrophobicContact CG-CB 4.28Å
362	N	95.7	Very high	93.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-58.5	-36.3	167.5	-173.1	49.6	0	0	0	111.7	T357 E358 A359 G370 L371 H372 L373 L375 F378	T357-N362 HydrophobicContact CG2-CB 3.84Å; E358-N362 PolarHBondContact O-N 3.33Å; A359-N362 WeakPolarHBondContact O-CB 3.35Å; A359-N362 PolarHBondContact O-N 2.99Å; N362-G370 CarbonylContact O-C 3.36Å; N362-G370 WeakPolarHBondContact O-CA 3.42Å; N362-G370 PolarHBondContact O-N 3.44Å; N362-L371 PolarHBondContact O-N 2.99Å; N362-H372 PolarHBondContact O-N 3.21Å; N362-H372 VanDerWaalsContact O-N 3.15Å; N362-H372 PolarHBondContact OD1-N 2.83Å; N362-L373 PolarHBondContact ND2-N 3.42Å; N362-L373 PolarHBondContact ND2-O 3.5Å; N362-L373 PolarHBondContact OD1-N 3.08Å; N362-L375 HydrophobicContact CB-CD2 3.74Å; N362-F378 WeakPolarHBondContact OD1-CZ 3.3Å
363	R	94.2	Very high	93.1	Very high	35 Å²	35	37.3 Å²	37.3	13%	0.132	18%	0.178	C	C	.	.	H	α-helix	trans	-82.7	-33.7	178.1	-68.2	-171.7	-60.4	-81.5	-1.9	114.4	A359 Q360 Y361 H372 S733 E752	A359-R363 VanDerWaalsContact CB-NH1 3.26Å; A359-R363 WeakPolarHBondContact O-CG 3.49Å; A359-R363 VanDerWaalsContact O-CZ 3.31Å; A359-R363 PolarHBondContact O-N 2.94Å; A359-R363 PolarHBondContact O-NH1 2.67Å; Q360-R363 VanDerWaalsContact CA-NH2 3.34Å; Y361-R363 PolarHBondContact O-N 2.93Å; R363-H372 PolarHBondContact O-CE1 3.16Å; R363-H372 VanDerWaalsContact O-CE1 3.32Å; R363-S733 PolarHBondContact NH2-OG 3.23Å; R363-E752 VanDerWaalsContact CG-CD 3.49Å; R363-E752 HydrophobicContact CG-CG 3.87Å; R363-E752 WeakPolarHBondContact CG-OE1 3.32Å; R363-E752 PolarHBondContact NH1-O 3.35Å
364	K	91.9	Very high	93	Very high	118 Å²	118	37.5 Å²	37.5	51%	0.513	18%	0.179	S	C	.	.	S	Bend	trans	-88.3	125.6	-171.7	-171.3	-177.5	173.8	-162.4	0	110.3	Q360 Y361 E366 G369 G370	Q360-K364 VanDerWaalsContact O-CB 3.28Å; Q360-K364 WeakPolarHBondContact O-CB 3.42Å; Q360-K364 PolarHBondContact O-N 3.36Å; Q360-K364 VanDerWaalsContact O-N 3.11Å; Y361-K364 PolarHBondContact O-N 3.15Å; Y361-K364 VanDerWaalsContact O-O 3.12Å; K364-E366 HydrophobicContact CD-CG 4.05Å; K364-E366 VanDerWaalsContact CD-OE1 3.27Å; K364-E366 WeakPolarHBondContact CD-OE1 3.48Å; K364-E366 WeakPolarHBondContact CE-OE1 3.38Å; K364-E366 HydrophobicContact CG-CG 4.03Å; K364-E366 IonicContact NZ-OE1 3.92Å; K364-E366 PolarHBondContact NZ-OE1 2.95Å; K364-E366 PolarHBondContact O-N 2.92Å; K364-G369 CarbonylContact O-C 3.44Å; K364-G370 PolarHBondContact O-N 2.83Å
365	E	88.8	Confident	93.1	Very high	143 Å²	143	37.3 Å²	37.3	67%	0.668	18%	0.177	S	C	*	.			trans	-61.7	102.7	173.1	-67.3	-67	177.5	0	0	110.7
366	E	87.1	Confident	93.1	Very high	41 Å²	41	36.9 Å²	36.9	19%	0.192	18%	0.175	C	C	.	.	S	Bend	trans	-142.1	171.6	177.3	-66.3	-165.1	170.5	0	0	109.7	K335 K364 W368 G369 R508	K335-E366 PolarHBondContact NZ-O 3.4Å; K335-E366 VanDerWaalsContact NZ-O 3.07Å; K364-E366 HydrophobicContact CD-CG 4.05Å; K364-E366 VanDerWaalsContact CD-OE1 3.27Å; K364-E366 WeakPolarHBondContact CD-OE1 3.48Å; K364-E366 WeakPolarHBondContact CE-OE1 3.38Å; K364-E366 HydrophobicContact CG-CG 4.03Å; K364-E366 IonicContact NZ-OE1 3.92Å; K364-E366 PolarHBondContact NZ-OE1 2.95Å; K364-E366 PolarHBondContact O-N 2.92Å; E366-W368 VanDerWaalsContact C-N 3.25Å; E366-W368 PolarHBondContact O-N 3.39Å; E366-W368 VanDerWaalsContact O-N 3.11Å; E366-G369 PolarHBondContact O-N 3.49Å; E366-R508 IonicContact OE1-NH2 2.98Å; E366-R508 IonicContact OE2-CZ 3.5Å; E366-R508 IonicContact OE2-NH1 3.2Å; E366-R508 PolarHBondContact OE2-NH1 3.37Å; E366-R508 IonicContact OE2-NH2 3.08Å; E366-R508 PolarHBondContact OE2-NH2 2.97Å
367	T	88.5	Confident	93.2	Very high	86 Å²	86	36.9 Å²	36.9	53%	0.528	18%	0.175	S	C	.	.	S	Bend	trans	-45.9	-47.3	-177.4	-51	0	0	0	0	113.1	K335	K335-T367 PolarHBondContact NZ-O 3.47Å
368	W	89.8	Confident	93.3	Very high	82 Å²	82	36.9 Å²	36.9	31%	0.311	18%	0.175	S	C	.	.	S	Bend	trans	-109.2	-11.5	-179.6	-55.5	106.7	0	0	0	113.6	I331 E366 D516 P518	I331-W368 HydrophobicContact CB-CE3 4.23Å; I331-W368 HydrophobicContact CD1-CB 4.42Å; I331-W368 HydrophobicContact CG2-CE3 3.78Å; I331-W368 HydrophobicContact CG2-CZ3 4.46Å; E366-W368 VanDerWaalsContact C-N 3.25Å; E366-W368 PolarHBondContact O-N 3.39Å; E366-W368 VanDerWaalsContact O-N 3.11Å; W368-D516 PolarHBondContact NE1-OD2 2.85Å; W368-P518 HydrophobicContact CB-CB 4.44Å; W368-P518 HydrophobicContact CB-CG 3.99Å
369	G	91.4	Very high	93.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	17%	0.173	C	C	.	.			trans	-90.8	-162.3	-180	0	0	0	0	0	113.9	K335 Y361 K364 E366	K335-G369 WeakPolarHBondContact CE-O 3.32Å; K335-G369 PolarHBondContact NZ-O 2.97Å; Y361-G369 CarbonylContact O-C 3.54Å; Y361-G369 WeakPolarHBondContact O-CA 3.33Å; K364-G369 CarbonylContact O-C 3.44Å; E366-G369 PolarHBondContact O-N 3.49Å
370	G	92.9	Very high	93.6	Very high	12 Å²	12	36.4 Å²	36.4	12%	0.124	17%	0.173	C	C	.	.			trans	69.6	32.1	174.8	0	0	0	0	0	113.8	Y361 N362 K364	Y361-G370 PolarHBondContact O-N 2.96Å; N362-G370 CarbonylContact O-C 3.36Å; N362-G370 WeakPolarHBondContact O-CA 3.42Å; N362-G370 PolarHBondContact O-N 3.44Å; K364-G370 PolarHBondContact O-N 2.83Å
371	L	93.4	Very high	93.7	Very high	15 Å²	15	32.9 Å²	32.9	8%	0.079	16%	0.156	C	C	.	.			trans	-93.6	-20.7	-174.6	-62.4	-174.3	0	0	0	113.3	I331 F334 K335 N362 L373 F378	I331-L371 HydrophobicContact CG1-CD1 4.37Å; I331-L371 HydrophobicContact CG2-CD1 4.25Å; F334-L371 HydrophobicContact CD1-CD1 4.46Å; F334-L371 HydrophobicContact CD1-CD2 3.78Å; F334-L371 HydrophobicContact CE1-CB 4.42Å; F334-L371 HydrophobicContact CE1-CD2 4.01Å; K335-L371 HydrophobicContact CD-CD2 4.28Å; K335-L371 VanDerWaalsContact CE-CD2 3.41Å; K335-L371 HydrophobicContact CG-CD2 3.82Å; N362-L371 PolarHBondContact O-N 2.99Å; L371-L373 HydrophobicContact CB-CD1 4.34Å; L371-L373 HydrophobicContact CB-CG 4.21Å; L371-L373 PolarHBondContact O-N 3.26Å; L371-L373 VanDerWaalsContact O-N 3.14Å; L371-F378 HydrophobicContact CB-CZ 4.17Å; L371-F378 HydrophobicContact CD1-CE1 3.61Å; L371-F378 HydrophobicContact CD1-CZ 3.9Å
372	H	93.1	Very high	93.7	Very high	81 Å²	81	31.6 Å²	31.6	38%	0.375	15%	0.151	S	C	.	.			trans	52.2	34.6	177.1	-60.2	-76.4	0	0	0	114.1	N362 R363 E752	N362-H372 PolarHBondContact O-N 3.21Å; N362-H372 VanDerWaalsContact O-N 3.15Å; N362-H372 PolarHBondContact OD1-N 2.83Å; R363-H372 PolarHBondContact O-CE1 3.16Å; R363-H372 VanDerWaalsContact O-CE1 3.32Å; H372-E752 WeakPolarHBondContact CA-OE1 3.4Å; H372-E752 IonicContact CE1-OE1 3.2Å; H372-E752 IonicContact CG-OE1 3.22Å; H372-E752 IonicContact ND1-OE1 2.87Å; H372-E752 PolarHBondContact ND1-OE1 3.36Å; H372-E752 IonicContact ND1-OE2 3.06Å
373	L	94.1	Very high	93.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.			trans	-94.7	162.8	179	-65	178.9	0	0	0	111.6	F334 L346 I351 N362 L371 L375 F378 F594 Y595	F334-L373 HydrophobicContact CE1-CD1 4.06Å; F334-L373 HydrophobicContact CE1-CD2 4.41Å; F334-L373 HydrophobicContact CE1-CG 4.35Å; F334-L373 HydrophobicContact CE2-CD1 4.18Å; F334-L373 HydrophobicContact CE2-CD2 4.23Å; F334-L373 HydrophobicContact CZ-CD1 3.89Å; F334-L373 HydrophobicContact CZ-CD2 3.7Å; F334-L373 HydrophobicContact CZ-CG 4.09Å; L346-L373 HydrophobicContact CB-CD2 4.19Å; I351-L373 HydrophobicContact CD1-CD1 4.18Å; I351-L373 HydrophobicContact CG1-CD1 3.63Å; N362-L373 PolarHBondContact ND2-N 3.42Å; N362-L373 PolarHBondContact ND2-O 3.5Å; N362-L373 PolarHBondContact OD1-N 3.08Å; L371-L373 HydrophobicContact CB-CD1 4.34Å; L371-L373 HydrophobicContact CB-CG 4.21Å; L371-L373 PolarHBondContact O-N 3.26Å; L371-L373 VanDerWaalsContact O-N 3.14Å; L373-L375 PolarHBondContact O-N 2.6Å; L373-F378 HydrophobicContact CB-CE2 4.18Å; L373-F378 HydrophobicContact CB-CZ 4.15Å; L373-F378 HydrophobicContact CD1-CZ 4.19Å; L373-F594 VanDerWaalsContact C-CZ 3.41Å; L373-F594 WeakPolarHBondContact O-CZ 3.26Å; L373-Y595 WeakPolarHBondContact CD2-OH 3.43Å
374	N	93.7	Very high	93.7	Very high	16 Å²	16	32.6 Å²	32.6	9%	0.086	16%	0.16	C	C	.	.			trans	-62.8	129.8	164	-178	-38.1	0	0	0	108.1	Q376 Q377 I589 F594 Y595	N374-Q376 PolarHBondContact O-N 2.63Å; N374-Q376 WeakPolarHBondContact OD1-CB 3.26Å; N374-Q376 PolarHBondContact OD1-N 3.23Å; N374-Q377 HydrophobicContact CB-CG 4.38Å; N374-Q377 VanDerWaalsContact O-CB 3.27Å; N374-Q377 WeakPolarHBondContact O-CB 3.48Å; N374-Q377 PolarHBondContact O-N 2.9Å; N374-I589 HydrophobicContact CB-CG2 4.13Å; N374-F594 HydrophobicContact CB-CD1 3.89Å; N374-F594 HydrophobicContact CB-CD2 4.24Å; N374-F594 HydrophobicContact CB-CE1 4.15Å; N374-F594 HydrophobicContact CB-CE2 4.47Å; N374-F594 HydrophobicContact CB-CG 3.96Å; N374-F594 HydrophobicContact CB-CZ 4.44Å; N374-Y595 HydrophobicContact CB-CE2 4.07Å
375	L	96	Very high	93.8	Very high	16 Å²	16	27.5 Å²	27.5	8%	0.084	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-60.4	-22.4	-174	-68.2	171.3	0	0	0	113.9	T357 A359 N362 L373 Q377 F378 D387 N388	T357-L375 HydrophobicContact CG2-CD2 4.46Å; A359-L375 HydrophobicContact CB-CD1 3.56Å; N362-L375 HydrophobicContact CB-CD2 3.74Å; L373-L375 PolarHBondContact O-N 2.6Å; L375-Q377 PolarHBondContact O-N 3.06Å; L375-F378 HydrophobicContact CD2-CD2 4.19Å; L375-F378 HydrophobicContact CD2-CE2 4.06Å; L375-F378 WeakPolarHBondContact O-CD2 3.43Å; L375-F378 PolarHBondContact O-N 2.84Å; L375-D387 CarbonylContact C-O 3.58Å; L375-D387 HydrophobicContact CB-CB 3.98Å; L375-D387 WeakPolarHBondContact CB-O 3.49Å; L375-D387 HydrophobicContact CD1-CB 3.74Å; L375-D387 HydrophobicContact CG-CB 4.44Å; L375-N388 WeakPolarHBondContact O-CA 3.05Å; L375-N388 PolarHBondContact O-ND2 2.69Å
376	Q	95.4	Very high	94.1	Very high	9 Å²	9	22.4 Å²	22.4	4%	0.042	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-69.3	-12.2	173.6	-69.4	159.3	17.2	0	0	113.3	N374 F378 Y379 D387 T389 I589 P705 E706	N374-Q376 PolarHBondContact O-N 2.63Å; N374-Q376 WeakPolarHBondContact OD1-CB 3.26Å; N374-Q376 PolarHBondContact OD1-N 3.23Å; Q376-F378 VanDerWaalsContact C-N 3.27Å; Q376-Y379 WeakPolarHBondContact O-CE2 3.21Å; Q376-D387 PolarHBondContact N-O 2.93Å; Q376-T389 WeakPolarHBondContact O-CB 3.45Å; Q376-T389 PolarHBondContact O-OG1 3.22Å; Q376-I589 HydrophobicContact CB-CD1 4.31Å; Q376-P705 HydrophobicContact CG-CG 4.46Å; Q376-E706 VanDerWaalsContact CD-OE1 3.31Å; Q376-E706 VanDerWaalsContact NE2-N 3.11Å; Q376-E706 PolarHBondContact NE2-OE1 3.28Å
377	Q	97.4	Very high	94.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-77.4	-14.3	175.7	-66.6	179.2	-103.6	0	0	112.9	L346 F349 R350 I351 N374 L375 Y379 I589 Y595	L346-Q377 PolarHBondContact O-NE2 3.19Å; F349-Q377 PolarHBondContact O-NE2 3.08Å; R350-Q377 CarbonylContact C-O 3.52Å; I351-Q377 PolarHBondContact N-O 3.38Å; N374-Q377 HydrophobicContact CB-CG 4.38Å; N374-Q377 VanDerWaalsContact O-CB 3.27Å; N374-Q377 WeakPolarHBondContact O-CB 3.48Å; N374-Q377 PolarHBondContact O-N 2.9Å; L375-Q377 PolarHBondContact O-N 3.06Å; Q377-Y379 WeakPolarHBondContact O-CD2 2.91Å; Q377-I589 HydrophobicContact CG-CD1 3.45Å; Q377-I589 VanDerWaalsContact CG-CD1 3.45Å; Q377-I589 HydrophobicContact CG-CG2 4.01Å; Q377-Y595 VanDerWaalsContact OE1-CZ 3.3Å; Q377-Y595 PolarHBondContact OE1-OH 3.36Å
378	F	98.2	Very high	94.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.3	174.9	-60.2	-75.6	0	0	0	110.3	I351 D353 T357 N362 L371 L373 L375 Q376 N388 T389	I351-F378 HydrophobicContact CB-CD1 3.91Å; I351-F378 HydrophobicContact CB-CE1 4.19Å; I351-F378 HydrophobicContact CG1-CD1 4.48Å; I351-F378 HydrophobicContact CG1-CE1 4.35Å; I351-F378 HydrophobicContact CG2-CD1 4.03Å; I351-F378 HydrophobicContact CG2-CE1 4.14Å; I351-F378 CarbonylContact O-C 3.55Å; I351-F378 WeakPolarHBondContact O-CA 3.08Å; D353-F378 HydrophobicContact CB-CB 4.5Å; D353-F378 HydrophobicContact CB-CD1 4.25Å; T357-F378 HydrophobicContact CG2-CD2 4.29Å; T357-F378 HydrophobicContact CG2-CE1 4.35Å; T357-F378 HydrophobicContact CG2-CE2 3.96Å; T357-F378 HydrophobicContact CG2-CZ 4Å; N362-F378 WeakPolarHBondContact OD1-CZ 3.3Å; L371-F378 HydrophobicContact CB-CZ 4.17Å; L371-F378 HydrophobicContact CD1-CE1 3.61Å; L371-F378 HydrophobicContact CD1-CZ 3.9Å; L373-F378 HydrophobicContact CB-CE2 4.18Å; L373-F378 HydrophobicContact CB-CZ 4.15Å; L373-F378 HydrophobicContact CD1-CZ 4.19Å; L375-F378 HydrophobicContact CD2-CD2 4.19Å; L375-F378 HydrophobicContact CD2-CE2 4.06Å; L375-F378 WeakPolarHBondContact O-CD2 3.43Å; L375-F378 PolarHBondContact O-N 2.84Å; Q376-F378 VanDerWaalsContact C-N 3.27Å; F378-N388 HydrophobicContact CB-CB 4.11Å; F378-N388 WeakPolarHBondContact O-CB 3.04Å; F378-T389 PolarHBondContact O-N 2.9Å
379	Y	98.3	Very high	95.3	Very high	1 Å²	1	13.6 Å²	13.6	0%	0.004	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	106.9	-171.2	-87.7	-131.7	0	0	0	109.5	Y328 R350 I351 D353 Q376 Q377 T389 L391 Y583 Q587	Y328-Y379 HydrophobicContact CE1-CD1 4.24Å; Y328-Y379 HydrophobicContact CE1-CE1 4.05Å; R350-Y379 HydrophobicContact CB-CD2 4.38Å; R350-Y379 HydrophobicContact CB-CE2 4.24Å; R350-Y379 VanDerWaalsContact CD-CE2 3.46Å; R350-Y379 WeakPolarHBondContact CD-OH 3.39Å; R350-Y379 HydrophobicContact CG-CE2 4.27Å; R350-Y379 PolarHBondContact NE-OH 2.69Å; I351-Y379 PolarHBondContact O-N 2.74Å; D353-Y379 PolarHBondContact N-O 2.7Å; Q376-Y379 WeakPolarHBondContact O-CE2 3.21Å; Q377-Y379 WeakPolarHBondContact O-CD2 2.91Å; Y379-T389 CarbonylContact C-O 3.52Å; Y379-T389 WeakPolarHBondContact CA-O 3.31Å; Y379-T389 HydrophobicContact CD1-CG2 4.36Å; Y379-T389 HydrophobicContact CD2-CG2 4.06Å; Y379-T389 HydrophobicContact CE1-CG2 3.97Å; Y379-T389 HydrophobicContact CE2-CG2 3.63Å; Y379-T389 HydrophobicContact CG-CG2 4.4Å; Y379-L391 HydrophobicContact CD1-CB 3.74Å; Y379-L391 HydrophobicContact CD1-CD1 4.02Å; Y379-L391 HydrophobicContact CD1-CD2 4.07Å; Y379-L391 HydrophobicContact CD1-CG 4.13Å; Y379-L391 HydrophobicContact CE1-CD1 4.39Å; Y379-L391 HydrophobicContact CG-CB 4.27Å; Y379-Y583 HydrophobicContact CE1-CD2 4.13Å; Y379-Y583 HydrophobicContact CE1-CE2 4.46Å; Y379-Q587 PolarHBondContact OH-OE1 3.07Å
380	T	98	Very high	95.6	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.006	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	162.5	-168.7	67.1	0	0	0	0	113.9	Q281 D353 F382 N388 T389 L391 G392	Q281-T380 PolarHBondContact NE2-O 3.22Å; D353-T380 WeakPolarHBondContact O-CA 3.34Å; T380-F382 WeakPolarHBondContact CB-O 3.5Å; T380-F382 PolarHBondContact OG1-O 3.02Å; T380-N388 HydrophobicContact CG2-CB 3.7Å; T380-T389 PolarHBondContact N-O 3Å; T380-L391 PolarHBondContact O-N 2.85Å; T380-L391 VanDerWaalsContact O-N 3.08Å; T380-G392 PolarHBondContact O-N 3.22Å; T380-G392 VanDerWaalsContact O-N 3.09Å
381	F	94.7	Very high	95.9	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.018	7%	0.071	C	C	.	.	S	Bend	trans	-79.7	-31.3	179.5	-147.2	-151.5	0	0	0	112.7	G277 Q281 T354 F390 G392 F393 P485	G277-F381 WeakPolarHBondContact O-CE2 3.49Å; G277-F381 WeakPolarHBondContact O-CZ 3.26Å; Q281-F381 HydrophobicContact CB-CD2 4.09Å; Q281-F381 HydrophobicContact CB-CE2 3.74Å; Q281-F381 HydrophobicContact CG-CD2 4.22Å; Q281-F381 HydrophobicContact CG-CE2 4.33Å; T354-F381 HydrophobicContact CG2-CB 3.75Å; T354-F381 HydrophobicContact CG2-CD1 3.7Å; T354-F381 HydrophobicContact CG2-CG 3.95Å; T354-F381 WeakPolarHBondContact O-CB 3.44Å; T354-F381 PolarHBondContact O-N 3.35Å; F381-F390 WeakPolarHBondContact O-CE2 3.17Å; F381-G392 WeakPolarHBondContact O-CA 3.35Å; F381-F393 HydrophobicContact CD1-CE1 4.11Å; F381-F393 AromaticContact CD2-CD1 3.33Å; F381-F393 HydrophobicContact CD2-CD1 3.33Å; F381-F393 AromaticContact CD2-CE1 3.7Å; F381-F393 HydrophobicContact CD2-CE1 3.7Å; F381-F393 HydrophobicContact CD2-CG 4.36Å; F381-F393 HydrophobicContact CE1-CD1 4.4Å; F381-F393 HydrophobicContact CE1-CE1 4Å; F381-F393 HydrophobicContact CE2-CB 4.18Å; F381-F393 AromaticContact CE2-CD1 3.09Å; F381-F393 HydrophobicContact CE2-CD1 3.09Å; F381-F393 AromaticContact CE2-CE1 3.54Å; F381-F393 HydrophobicContact CE2-CE1 3.54Å; F381-F393 AromaticContact CE2-CG 3.78Å; F381-F393 HydrophobicContact CE2-CG 3.78Å; F381-F393 HydrophobicContact CG-CD1 4.06Å; F381-F393 AromaticContact CG-CE1 3.96Å; F381-F393 HydrophobicContact CG-CE1 3.96Å; F381-F393 AromaticContact CZ-CD1 3.7Å; F381-F393 HydrophobicContact CZ-CD1 3.7Å; F381-F393 AromaticContact CZ-CE1 3.7Å; F381-F393 HydrophobicContact CZ-CE1 3.7Å; F381-F393 HydrophobicContact CZ-CG 4.33Å; F381-F393 HydrophobicContact CZ-CZ 4.38Å; F381-P485 HydrophobicContact CZ-CB 4.43Å; F381-P485 HydrophobicContact CZ-CG 4.37Å
382	F	96	Very high	96	Very high	1 Å²	1	12.7 Å²	12.7	0%	0.004	7%	0.068	C	C	.	.	S	Bend	trans	-135.8	160.4	173.8	-63.6	-84.7	0	0	0	110.2	T380 H384 F390 F393 E483 L488 H527 Y529 F571	T380-F382 WeakPolarHBondContact CB-O 3.5Å; T380-F382 PolarHBondContact OG1-O 3.02Å; F382-H384 PolarHBondContact O-N 3.1Å; F382-F390 VanDerWaalsContact C-CD2 3.48Å; F382-F393 HydrophobicContact CE1-CE1 4.04Å; F382-F393 HydrophobicContact CE1-CZ 4.09Å; F382-F393 HydrophobicContact CE2-CE1 4.1Å; F382-F393 AromaticContact CZ-CE1 3.65Å; F382-F393 HydrophobicContact CZ-CE1 3.65Å; F382-F393 AromaticContact CZ-CZ 3.7Å; F382-F393 HydrophobicContact CZ-CZ 3.7Å; F382-E483 HydrophobicContact CD2-CB 4.04Å; F382-E483 HydrophobicContact CE2-CB 3.98Å; F382-E483 VanDerWaalsContact CE2-O 3.28Å; F382-E483 WeakPolarHBondContact CE2-O 3.37Å; F382-L488 HydrophobicContact CE1-CD1 3.58Å; F382-L488 HydrophobicContact CE1-CG 4.42Å; F382-L488 HydrophobicContact CZ-CD1 4.24Å; F382-H527 AromaticContact CD1-CE1 4Å; F382-H527 AromaticContact CE1-CE1 3.36Å; F382-H527 WeakPolarHBondContact CE1-CE1 3.45Å; F382-H527 AromaticContact CE1-NE2 3.73Å; F382-H527 AromaticContact CZ-CE1 3.37Å; F382-H527 WeakPolarHBondContact CZ-CE1 3.49Å; F382-H527 AromaticContact CZ-NE2 3.33Å; F382-H527 VanDerWaalsContact CZ-NE2 3.33Å; F382-H527 WeakPolarHBondContact CZ-NE2 3.35Å; F382-Y529 HydrophobicContact CD1-CD1 4Å; F382-Y529 HydrophobicContact CD1-CD2 4.11Å; F382-Y529 AromaticContact CD1-CG 3.67Å; F382-Y529 HydrophobicContact CD1-CG 3.67Å; F382-Y529 HydrophobicContact CE1-CD1 4.16Å; F382-Y529 HydrophobicContact CE1-CG 4.26Å; F382-F571 HydrophobicContact CD1-CE1 4.17Å; F382-F571 HydrophobicContact CD1-CE2 4.38Å; F382-F571 AromaticContact CD1-CZ 3.51Å; F382-F571 HydrophobicContact CD1-CZ 3.51Å; F382-F571 AromaticContact CE1-CE1 3.91Å; F382-F571 HydrophobicContact CE1-CE1 3.91Å; F382-F571 HydrophobicContact CE1-CE2 4.49Å; F382-F571 AromaticContact CE1-CZ 3.61Å; F382-F571 HydrophobicContact CE1-CZ 3.61Å
383	P	94.4	Very high	96.2	Very high	25 Å²	25	8.9 Å²	8.9	16%	0.162	5%	0.05	C	C	.	.	S	Bend	trans	-78.5	55.4	-180	32	-34.2	0	0	0	112.4	F390 Y529 I782	P383-F390 HydrophobicContact CB-CB 3.98Å; P383-F390 HydrophobicContact CB-CD1 3.97Å; P383-F390 HydrophobicContact CB-CD2 4.3Å; P383-F390 HydrophobicContact CB-CG 3.83Å; P383-F390 HydrophobicContact CG-CD1 4.24Å; P383-F390 HydrophobicContact CG-CE1 4.37Å; P383-F390 HydrophobicContact CG-CG 4.34Å; P383-Y529 HydrophobicContact CG-CD2 4.03Å; P383-Y529 HydrophobicContact CG-CE2 3.99Å; P383-I782 HydrophobicContact CB-CB 4.35Å; P383-I782 HydrophobicContact CB-CD1 4.2Å; P383-I782 HydrophobicContact CB-CG2 4.19Å; P383-I782 HydrophobicContact CG-CD1 3.59Å
384	H	93.7	Very high	96.4	Very high	33 Å²	33	8.9 Å²	8.9	15%	0.153	5%	0.05	C	C	.	.			trans	-101.1	-10.9	-176.7	54.3	47.3	0	0	0	114.5	T354 F355 F382 E483 R521	T354-H384 PolarHBondContact O-CE1 2.76Å; T354-H384 PolarHBondContact O-NE2 2.78Å; T354-H384 VanDerWaalsContact O-NE2 3.15Å; F355-H384 PolarHBondContact O-CE1 2.91Å; F355-H384 PolarHBondContact O-ND1 2.95Å; F382-H384 PolarHBondContact O-N 3.1Å; H384-E483 IonicContact CD2-OE1 3.25Å; H384-E483 IonicContact CD2-OE2 3.37Å; H384-R521 PolarHBondContact CD2-NH2 3.38Å; H384-R521 VanDerWaalsContact CD2-NH2 3.29Å; H384-R521 VanDerWaalsContact CG-NH2 3.34Å; H384-R521 PolarHBondContact ND1-NH2 3.38Å; H384-R521 WeakPolarHBondContact O-CD 3.09Å
385	S	95.3	Very high	96.5	Very high	10 Å²	10	8.1 Å²	8.1	7%	0.07	5%	0.046	C	C	.	.			trans	-121.4	97.9	-178.8	-56.9	0	0	0	0	109	F355 D387 N388	F355-S385 PolarHBondContact O-OG 2.99Å; S385-D387 PolarHBondContact O-N 3.47Å; S385-N388 WeakPolarHBondContact CB-OD1 3.33Å; S385-N388 PolarHBondContact O-N 3.16Å
386	P	94.4	Very high	96.3	Very high	36 Å²	36	7.4 Å²	7.4	23%	0.234	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.1	-168.8	25.5	-34.5	0	0	0	114.4	N388 A644 C703 C756 T757	P386-N388 VanDerWaalsContact C-N 3.32Å; P386-A644 HydrophobicContact CG-CB 3.95Å; P386-C703 HydrophobicContact CB-CB 4.46Å; P386-C756 HydrophobicContact CB-CB 4.1Å; P386-C756 HydrophobicContact CG-CB 3.89Å; P386-T757 HydrophobicContact CG-CG2 3.73Å
387	D	96.1	Very high	96	Very high	3 Å²	3	10.3 Å²	10.3	2%	0.016	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-15.5	174.2	-65.8	-68.5	0	0	0	113.3	L375 Q376 S385 C756	L375-D387 CarbonylContact C-O 3.58Å; L375-D387 HydrophobicContact CB-CB 3.98Å; L375-D387 WeakPolarHBondContact CB-O 3.49Å; L375-D387 HydrophobicContact CD1-CB 3.74Å; L375-D387 HydrophobicContact CG-CB 4.44Å; Q376-D387 PolarHBondContact N-O 2.93Å; S385-D387 PolarHBondContact O-N 3.47Å; D387-C756 WeakPolarHBondContact OD1-CB 3.27Å; D387-C756 PolarHBondContact OD1-N 2.05Å; D387-C756 PolarHBondContact OD1-SG 3.09Å; D387-C756 VanDerWaalsContact OD1-SG 3.36Å; D387-C756 PolarHBondContact OD2-N 2.02Å; D387-C756 VanDerWaalsContact OD2-N 3.16Å
388	N	97.7	Very high	95.3	Very high	16 Å²	16	11.8 Å²	11.8	9%	0.086	6%	0.064	C	C	.	.	S	Bend	trans	-101.7	165.6	-176.2	-54.7	145.8	0	0	0	111.7	G356 T357 L375 F378 T380 S385 P386	G356-N388 VanDerWaalsContact CA-OD1 3.3Å; G356-N388 WeakPolarHBondContact CA-OD1 3.34Å; T357-N388 PolarHBondContact N-OD1 2.78Å; T357-N388 PolarHBondContact O-ND2 2.84Å; T357-N388 PolarHBondContact O-OD1 2.84Å; L375-N388 WeakPolarHBondContact O-CA 3.05Å; L375-N388 PolarHBondContact O-ND2 2.69Å; F378-N388 HydrophobicContact CB-CB 4.11Å; F378-N388 WeakPolarHBondContact O-CB 3.04Å; T380-N388 HydrophobicContact CG2-CB 3.7Å; S385-N388 WeakPolarHBondContact CB-OD1 3.33Å; S385-N388 PolarHBondContact O-N 3.16Å; P386-N388 VanDerWaalsContact C-N 3.32Å
389	T	97.7	Very high	93.9	Very high	5 Å²	5	16.7 Å²	16.7	3%	0.031	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128.3	175.4	-63.4	0	0	0	0	109.8	Q376 F378 Y379 T380 L391 Y583 Q587	Q376-T389 WeakPolarHBondContact O-CB 3.45Å; Q376-T389 PolarHBondContact O-OG1 3.22Å; F378-T389 PolarHBondContact O-N 2.9Å; Y379-T389 CarbonylContact C-O 3.52Å; Y379-T389 WeakPolarHBondContact CA-O 3.31Å; Y379-T389 HydrophobicContact CD1-CG2 4.36Å; Y379-T389 HydrophobicContact CD2-CG2 4.06Å; Y379-T389 HydrophobicContact CE1-CG2 3.97Å; Y379-T389 HydrophobicContact CE2-CG2 3.63Å; Y379-T389 HydrophobicContact CG-CG2 4.4Å; T380-T389 PolarHBondContact N-O 3Å; T389-L391 PolarHBondContact O-N 3.46Å; T389-Y583 HydrophobicContact CG2-CD1 4.34Å; T389-Y583 HydrophobicContact CG2-CD2 4.06Å; T389-Y583 HydrophobicContact CG2-CE1 3.77Å; T389-Y583 HydrophobicContact CG2-CE2 3.43Å; T389-Y583 VanDerWaalsContact CG2-CE2 3.43Å; T389-Y583 HydrophobicContact CG2-CG 4.47Å; T389-Y583 WeakPolarHBondContact CG2-OH 3.34Å; T389-Q587 PolarHBondContact OG1-NE2 3.22Å; T389-Q587 VanDerWaalsContact OG1-NE2 3.12Å
390	F	97.6	Very high	92.3	Very high	7 Å²	7	21.1 Å²	21.1	3%	0.031	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	112.1	175.2	162.8	-127.2	0	0	0	110.6	F381 F382 P383 G392 E570 F571 R579 Y583 S783	F381-F390 WeakPolarHBondContact O-CE2 3.17Å; F382-F390 VanDerWaalsContact C-CD2 3.48Å; P383-F390 HydrophobicContact CB-CB 3.98Å; P383-F390 HydrophobicContact CB-CD1 3.97Å; P383-F390 HydrophobicContact CB-CD2 4.3Å; P383-F390 HydrophobicContact CB-CG 3.83Å; P383-F390 HydrophobicContact CG-CD1 4.24Å; P383-F390 HydrophobicContact CG-CE1 4.37Å; P383-F390 HydrophobicContact CG-CG 4.34Å; F390-G392 VanDerWaalsContact CE2-N 3.34Å; F390-E570 HydrophobicContact CE1-CB 4.04Å; F390-E570 HydrophobicContact CE1-CG 4.15Å; F390-E570 WeakPolarHBondContact CE1-OE2 3.44Å; F390-E570 HydrophobicContact CZ-CG 4.37Å; F390-F571 HydrophobicContact CE2-CE1 4.41Å; F390-F571 AromaticContact CE2-CZ 3.99Å; F390-F571 HydrophobicContact CE2-CZ 3.99Å; F390-F571 HydrophobicContact CZ-CE1 4.23Å; F390-F571 HydrophobicContact CZ-CE2 4.07Å; F390-F571 AromaticContact CZ-CZ 3.69Å; F390-F571 HydrophobicContact CZ-CZ 3.69Å; F390-R579 WeakPolarHBondContact O-CD 3.44Å; F390-R579 PolarHBondContact O-NE 3.12Å; F390-Y583 PolarHBondContact O-OH 3.43Å; F390-S783 WeakPolarHBondContact CB-OG 3.46Å; F390-S783 VanDerWaalsContact CD1-OG 3.3Å; F390-S783 WeakPolarHBondContact CD1-OG 3.16Å
391	L	98	Very high	90.1	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	16%	0.156	C	C	.	.			trans	-87.2	-49.6	174.4	-179.6	58.3	0	0	0	111.7	Q281 L285 L352 Y379 T380 T389 L576 R579 L580	Q281-L391 HydrophobicContact CG-CD2 3.97Å; L285-L391 HydrophobicContact CB-CD2 4.44Å; L285-L391 HydrophobicContact CD1-CD1 4.24Å; L285-L391 HydrophobicContact CD1-CD2 4.33Å; L285-L391 HydrophobicContact CD2-CD2 4.21Å; L352-L391 HydrophobicContact CD1-CD2 4.37Å; L352-L391 HydrophobicContact CD2-CD2 4.09Å; L352-L391 HydrophobicContact CG-CD2 4.11Å; Y379-L391 HydrophobicContact CD1-CB 3.74Å; Y379-L391 HydrophobicContact CD1-CD1 4.02Å; Y379-L391 HydrophobicContact CD1-CD2 4.07Å; Y379-L391 HydrophobicContact CD1-CG 4.13Å; Y379-L391 HydrophobicContact CE1-CD1 4.39Å; Y379-L391 HydrophobicContact CG-CB 4.27Å; T380-L391 PolarHBondContact O-N 2.85Å; T380-L391 VanDerWaalsContact O-N 3.08Å; T389-L391 PolarHBondContact O-N 3.46Å; L391-L576 HydrophobicContact CD1-CD1 4.26Å; L391-L576 VanDerWaalsContact O-CD1 3.25Å; L391-L576 WeakPolarHBondContact O-CD1 3.45Å; L391-R579 VanDerWaalsContact O-CZ 3.23Å; L391-R579 PolarHBondContact O-NE 3.43Å; L391-R579 PolarHBondContact O-NH2 3.43Å; L391-L580 HydrophobicContact CD1-CD1 4.3Å
392	G	97.2	Very high	88	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.01	19%	0.191	C	C	.	.			trans	69.4	-159.4	-174.9	0	0	0	0	0	114	T380 F381 F390	T380-G392 PolarHBondContact O-N 3.22Å; T380-G392 VanDerWaalsContact O-N 3.09Å; F381-G392 WeakPolarHBondContact O-CA 3.35Å; F390-G392 VanDerWaalsContact CE2-N 3.34Å
393	F	97.5	Very high	86	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.			trans	-161.2	178.7	-177.4	55.9	-86.7	0	0	0	109.2	V280 F381 F382 T395 P485 L488 F571	V280-F393 HydrophobicContact CG1-CB 3.91Å; V280-F393 HydrophobicContact CG1-CD2 3.96Å; V280-F393 HydrophobicContact CG1-CG 4.1Å; F381-F393 HydrophobicContact CD1-CE1 4.11Å; F381-F393 AromaticContact CD2-CD1 3.33Å; F381-F393 HydrophobicContact CD2-CD1 3.33Å; F381-F393 AromaticContact CD2-CE1 3.7Å; F381-F393 HydrophobicContact CD2-CE1 3.7Å; F381-F393 HydrophobicContact CD2-CG 4.36Å; F381-F393 HydrophobicContact CE1-CD1 4.4Å; F381-F393 HydrophobicContact CE1-CE1 4Å; F381-F393 HydrophobicContact CE2-CB 4.18Å; F381-F393 AromaticContact CE2-CD1 3.09Å; F381-F393 HydrophobicContact CE2-CD1 3.09Å; F381-F393 AromaticContact CE2-CE1 3.54Å; F381-F393 HydrophobicContact CE2-CE1 3.54Å; F381-F393 AromaticContact CE2-CG 3.78Å; F381-F393 HydrophobicContact CE2-CG 3.78Å; F381-F393 HydrophobicContact CG-CD1 4.06Å; F381-F393 AromaticContact CG-CE1 3.96Å; F381-F393 HydrophobicContact CG-CE1 3.96Å; F381-F393 AromaticContact CZ-CD1 3.7Å; F381-F393 HydrophobicContact CZ-CD1 3.7Å; F381-F393 AromaticContact CZ-CE1 3.7Å; F381-F393 HydrophobicContact CZ-CE1 3.7Å; F381-F393 HydrophobicContact CZ-CG 4.33Å; F381-F393 HydrophobicContact CZ-CZ 4.38Å; F382-F393 HydrophobicContact CE1-CE1 4.04Å; F382-F393 HydrophobicContact CE1-CZ 4.09Å; F382-F393 HydrophobicContact CE2-CE1 4.1Å; F382-F393 AromaticContact CZ-CE1 3.65Å; F382-F393 HydrophobicContact CZ-CE1 3.65Å; F382-F393 AromaticContact CZ-CZ 3.7Å; F382-F393 HydrophobicContact CZ-CZ 3.7Å; F393-T395 HydrophobicContact CE2-CG2 3.99Å; F393-P485 HydrophobicContact CD2-CB 4.17Å; F393-P485 HydrophobicContact CE2-CB 3.45Å; F393-P485 VanDerWaalsContact CE2-CB 3.45Å; F393-P485 HydrophobicContact CZ-CB 3.66Å; F393-L488 HydrophobicContact CZ-CD1 4.19Å; F393-F571 HydrophobicContact CD1-CD1 4.29Å; F393-F571 AromaticContact CD1-CE1 3.88Å; F393-F571 HydrophobicContact CD1-CE1 3.88Å; F393-F571 HydrophobicContact CD2-CD1 4.21Å; F393-F571 HydrophobicContact CE1-CD1 4.15Å; F393-F571 AromaticContact CE1-CE1 3.56Å; F393-F571 HydrophobicContact CE1-CE1 3.56Å; F393-F571 HydrophobicContact CE2-CD1 4.02Å; F393-F571 HydrophobicContact CE2-CE1 4.24Å; F393-F571 HydrophobicContact CG-CD1 4.34Å; F393-F571 HydrophobicContact CG-CE1 4.38Å; F393-F571 AromaticContact CZ-CD1 3.99Å; F393-F571 HydrophobicContact CZ-CD1 3.99Å; F393-F571 AromaticContact CZ-CE1 3.74Å; F393-F571 HydrophobicContact CZ-CE1 3.74Å; F393-F571 WeakPolarHBondContact O-CA 3.03Å; F393-F571 WeakPolarHBondContact O-CD1 3.47Å
394	V	97.4	Very high	83.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-98	131.2	174.5	176.4	0	0	0	0	110.4	R187 I191 W195 D284 E396 F571 P573 L576	R187-V394 PolarHBondContact NH2-O 3.45Å; I191-V394 HydrophobicContact CG2-CG1 4.25Å; W195-V394 HydrophobicContact CH2-CG2 3.69Å; W195-V394 HydrophobicContact CZ2-CB 4.4Å; W195-V394 HydrophobicContact CZ2-CG2 3.53Å; W195-V394 HydrophobicContact CZ3-CG2 4.42Å; D284-V394 HydrophobicContact CB-CG2 4.47Å; D284-V394 PolarHBondContact OD2-N 3.34Å; V394-E396 PolarHBondContact O-N 3.36Å; V394-F571 WeakPolarHBondContact CA-O 3.41Å; V394-P573 HydrophobicContact CG1-CG 3.79Å; V394-P573 HydrophobicContact CG2-CG 4.27Å; V394-L576 HydrophobicContact CG2-CB 4.39Å; V394-L576 HydrophobicContact CG2-CD2 3.72Å
395	T	94.8	Very high	81.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-82.7	117.6	170.6	55.5	0	0	0	0	110	F393 I397 L488 R567 F571	F393-T395 HydrophobicContact CE2-CG2 3.99Å; T395-I397 PolarHBondContact O-N 2.95Å; T395-L488 HydrophobicContact CG2-CB 3.57Å; T395-L488 HydrophobicContact CG2-CD1 4.09Å; T395-L488 HydrophobicContact CG2-CG 4.49Å; T395-R567 PolarHBondContact O-NH1 3.09Å; T395-R567 WeakPolarHBondContact OG1-CD 3.45Å; T395-R567 VanDerWaalsContact OG1-CG 3.28Å; T395-R567 WeakPolarHBondContact OG1-CG 3.27Å; T395-F571 HydrophobicContact CG2-CB 3.81Å; T395-F571 HydrophobicContact CG2-CD1 4.3Å; T395-F571 HydrophobicContact CG2-CG 4.26Å; T395-F571 PolarHBondContact N-O 3.04Å; T395-F571 PolarHBondContact OG1-O 2.77Å
396	E	92.5	Very high	79.2	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.009	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-66.1	123.7	-178.5	-179	162.9	-176	0	0	111.2	R187 R190 I191 V394 L466 N493	R187-E396 IonicContact NH1-OE2 3.93Å; R187-E396 PolarHBondContact NH1-OE2 2.86Å; R190-E396 IonicContact CZ-OE1 3.52Å; R190-E396 IonicContact CZ-OE2 3.6Å; R190-E396 IonicContact NE-OE1 3.08Å; R190-E396 PolarHBondContact NE-OE1 3.49Å; R190-E396 IonicContact NE-OE2 3.51Å; R190-E396 IonicContact NH2-OE1 3.96Å; R190-E396 PolarHBondContact NH2-OE1 2.93Å; R190-E396 IonicContact NH2-OE2 2.67Å; R190-E396 PolarHBondContact NH2-OE2 3.48Å; R190-E396 VanDerWaalsContact NH2-OE2 3.08Å; I191-E396 HydrophobicContact CD1-CB 3.69Å; I191-E396 HydrophobicContact CD1-CG 3.76Å; I191-E396 HydrophobicContact CG1-CB 4.21Å; I191-E396 HydrophobicContact CG1-CG 3.75Å; V394-E396 PolarHBondContact O-N 3.36Å; E396-L466 WeakPolarHBondContact OE1-CD1 3.17Å; E396-N493 PolarHBondContact O-ND2 2.71Å
397	I	89.2	Confident	77.1	Confident	70 Å²	70	59.9 Å²	59.9	36%	0.359	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-102.2	121.7	169.3	-63.3	179.6	0	0	0	107.7	T395 A492	T395-I397 PolarHBondContact O-N 2.95Å; I397-A492 HydrophobicContact CG1-CB 4.14Å
398	F	82.1	Confident	75.4	Confident	31 Å²	31	63.4 Å²	63.4	14%	0.136	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-90.6	119.3	177.6	-169.2	-107.6	0	0	0	109.5	F400 Q463 L466 E467 N493	F398-F400 PolarHBondContact O-N 3.25Å; F398-F400 VanDerWaalsContact O-N 3.1Å; F398-Q463 HydrophobicContact CE2-CG 4.09Å; F398-Q463 HydrophobicContact CZ-CG 4.03Å; F398-L466 HydrophobicContact CB-CB 4.4Å; F398-L466 HydrophobicContact CD1-CB 4.46Å; F398-L466 HydrophobicContact CD2-CB 3.92Å; F398-L466 HydrophobicContact CD2-CD1 3.86Å; F398-L466 HydrophobicContact CE2-CB 4.29Å; F398-L466 HydrophobicContact CE2-CD1 4.38Å; F398-L466 HydrophobicContact CG-CB 4.01Å; F398-E467 HydrophobicContact CE1-CG 3.95Å; F398-E467 HydrophobicContact CZ-CG 4Å; F398-N493 PolarHBondContact N-OD1 2.8Å
399	P	69.9	Low	74.2	Confident	102 Å²	102	68.4 Å²	68.4	66%	0.662	38%	0.379	S	S	*	.			trans	-64.2	115.6	-177.5	23.7	-31.3	0	0	0	110.7	K401	P399-K401 PolarHBondContact O-N 2.87Å
400	F	64.6	Low	73.7	Confident	94 Å²	94	72.9 Å²	72.9	41%	0.412	40%	0.396	S	S	.	.			trans	-60	128.6	-179.4	-77.8	-84.3	0	0	0	112	F398 K403 N493	F398-F400 PolarHBondContact O-N 3.25Å; F398-F400 VanDerWaalsContact O-N 3.1Å; F400-K403 HydrophobicContact CD1-CG 4.15Å; F400-K403 HydrophobicContact CE1-CD 4.41Å; F400-K403 HydrophobicContact CE1-CG 4.01Å; F400-N493 WeakPolarHBondContact CZ-O 3.42Å
401	K	51.9	Low	73.5	Confident	199 Å²	199	73.6 Å²	73.6	87%	0.865	40%	0.401	S	S	*	.			trans	-88	128.9	143.9	-68.1	-178.8	-179.3	176.6	0	105.6	P399	P399-K401 PolarHBondContact O-N 2.87Å
402	S	50.6	Low	73.3	Confident	109 Å²	109	74.4 Å²	74.4	76%	0.762	41%	0.405	S	S	*	.			trans	-28.8	133.1	-162.9	61.8	0	0	0	0	115.6	S404	S402-S404 PolarHBondContact O-N 3.06Å
403	K	53.8	Low	73.3	Confident	108 Å²	108	74.4 Å²	74.4	47%	0.47	40%	0.404	S	S	.	.			trans	-55	107.5	164.5	-74.3	-174.7	178.1	-177.9	0	106.4	F400 N405	F400-K403 HydrophobicContact CD1-CG 4.15Å; F400-K403 HydrophobicContact CE1-CD 4.41Å; F400-K403 HydrophobicContact CE1-CG 4.01Å; K403-N405 PolarHBondContact O-N 3.02Å
404	S	45.8	Very low	73.2	Confident	79 Å²	79	74.4 Å²	74.4	55%	0.552	41%	0.405	S	S	*	.			trans	-58.1	120.9	169.8	60.8	0	0	0	0	105.9	S402 Q406	S402-S404 PolarHBondContact O-N 3.06Å; S404-Q406 PolarHBondContact O-N 3.23Å
405	N	44.7	Very low	73.2	Confident	167 Å²	167	74.6 Å²	74.6	89%	0.893	41%	0.406	S	S	*	.			trans	-65.7	57.9	165.6	-80.2	-22.5	0	0	0	108.8	K403 S407	K403-N405 PolarHBondContact O-N 3.02Å; N405-S407 PolarHBondContact O-N 3.28Å
406	Q	50.1	Low	73.3	Confident	140 Å²	140	75.6 Å²	75.6	65%	0.654	41%	0.41	S	S	*	.			trans	-71	113.4	164.1	-77.8	-176.6	-3	0	0	105	S404 L408	S404-Q406 PolarHBondContact O-N 3.23Å; Q406-L408 PolarHBondContact O-N 3.44Å
407	S	50.5	Low	73.2	Confident	122 Å²	122	75.7 Å²	75.7	85%	0.853	41%	0.411	S	S	*	.			trans	-66.3	68.3	170.3	66.4	0	0	0	0	109.1	N405 S409	N405-S407 PolarHBondContact O-N 3.28Å; S407-S409 PolarHBondContact O-N 3.11Å
408	L	58.9	Low	73.1	Confident	77 Å²	77	74.9 Å²	74.9	40%	0.403	41%	0.405	S	S	.	.			trans	-65.2	130.7	164.5	-75.5	158	0	0	0	106.4	Q406 R410	Q406-L408 PolarHBondContact O-N 3.44Å; L408-R410 WeakPolarHBondContact CB-O 3.42Å; L408-R410 PolarHBondContact O-N 3.34Å; L408-R410 VanDerWaalsContact O-N 3.12Å
409	S	73.4	Confident	73.4	Confident	121 Å²	121	76.5 Å²	76.5	85%	0.846	41%	0.413	S	S	*	.	S	Bend	trans	-60.3	-23.1	-178.1	59.7	0	0	0	0	112.5	S407	S407-S409 PolarHBondContact O-N 3.11Å
410	R	87.1	Confident	74.4	Confident	100 Å²	100	72.5 Å²	72.5	38%	0.377	39%	0.387	S	S	.	.	S	Bend	trans	-134.1	142.5	175.2	-66.3	179.2	-63.7	-173.3	1.8	109.6	L408 S434 Y436	L408-R410 WeakPolarHBondContact CB-O 3.42Å; L408-R410 PolarHBondContact O-N 3.34Å; L408-R410 VanDerWaalsContact O-N 3.12Å; R410-S434 PolarHBondContact NH1-O 3.28Å; R410-Y436 WeakPolarHBondContact CB-O 3.21Å
411	P	92.5	Very high	75.7	Confident	22 Å²	22	72.3 Å²	72.3	14%	0.143	39%	0.385	C	S	.	.			trans	-67	150.8	175.7	16.6	-15.2	0	0	0	111.5	F437 E438 Q473 I474 L558 I561	P411-F437 HydrophobicContact CG-CD1 3.78Å; P411-F437 HydrophobicContact CG-CE1 4.06Å; P411-F437 WeakPolarHBondContact O-CA 3.1Å; P411-E438 PolarHBondContact O-N 3.04Å; P411-Q473 HydrophobicContact CB-CB 4.36Å; P411-Q473 HydrophobicContact CB-CG 4.41Å; P411-I474 HydrophobicContact CB-CD1 4.07Å; P411-I474 HydrophobicContact CG-CD1 4.26Å; P411-L558 HydrophobicContact CG-CD2 3.65Å; P411-I561 HydrophobicContact CB-CD1 3.38Å; P411-I561 HydrophobicContact CG-CD1 3.44Å; P411-I561 VanDerWaalsContact CG-CD1 3.44Å
412	M	94.7	Very high	77.6	Confident	19 Å²	19	63.3 Å²	63.3	9%	0.094	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	129.2	-179.9	178.6	-177.6	-60.5	0	0	109.9	H440 K471 A472 Q473 I474	M412-H440 WeakPolarHBondContact CE-CE1 3.36Å; M412-K471 HydrophobicContact CE-CB 4.3Å; M412-K471 HydrophobicContact SD-CB 3.88Å; M412-A472 HydrophobicContact CG-CB 4.06Å; M412-A472 WeakPolarHBondContact O-CA 3.19Å; M412-A472 HydrophobicContact SD-CB 4.29Å; M412-Q473 PolarHBondContact O-N 2.49Å; M412-Q473 PolarHBondContact O-OE1 2.84Å; M412-Q473 VanDerWaalsContact O-OE1 3.13Å; M412-I474 PolarHBondContact O-N 2.76Å
413	A	96.6	Very high	79.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.7	174.9	0	0	0	0	0	110.3	F437 E438 H440 I474 I476	A413-F437 HydrophobicContact CB-CB 3.78Å; A413-F437 HydrophobicContact CB-CD2 4.38Å; A413-F437 HydrophobicContact CB-CG 4.19Å; A413-E438 PolarHBondContact N-O 3.1Å; A413-H440 PolarHBondContact O-N 2.74Å; A413-I474 CarbonylContact C-O 3.58Å; A413-I474 WeakPolarHBondContact CA-O 3.14Å; A413-I474 HydrophobicContact CB-CB 3.88Å; A413-I474 HydrophobicContact CB-CD1 4.46Å; A413-I474 HydrophobicContact CB-CG2 4.34Å; A413-I476 HydrophobicContact CB-CD1 3.61Å; A413-I476 HydrophobicContact CB-CG1 4.01Å
414	L	96.7	Very high	81.7	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.4	179.3	-177.6	63.2	0	0	0	110.3	H440 Y465 L468 M469 A472 I474 M475 I476	L414-H440 HydrophobicContact CD1-CB 4.08Å; L414-Y465 HydrophobicContact CD2-CE2 4.16Å; L414-L468 HydrophobicContact CD1-CD2 3.95Å; L414-L468 HydrophobicContact CD1-CG 4.29Å; L414-M469 HydrophobicContact CD2-CB 4.14Å; L414-M469 HydrophobicContact CD2-CG 4.41Å; L414-A472 HydrophobicContact CB-CB 3.9Å; L414-I474 PolarHBondContact N-O 3.14Å; L414-M475 HydrophobicContact CD2-CE 4.28Å; L414-M475 CarbonylContact O-C 3.54Å; L414-M475 VanDerWaalsContact O-CA 3.25Å; L414-M475 WeakPolarHBondContact O-CA 3.28Å; L414-I476 PolarHBondContact O-N 3.15Å
415	V	97.7	Very high	83.9	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.024	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	129.1	179.9	179.3	0	0	0	0	111.1	G417 W423 L430 I439 H440 I476 L478	V415-G417 PolarHBondContact O-N 2.63Å; V415-G417 VanDerWaalsContact O-N 3.16Å; V415-W423 HydrophobicContact CB-CH2 3.33Å; V415-W423 HydrophobicContact CB-CZ2 3.67Å; V415-W423 HydrophobicContact CB-CZ3 4.09Å; V415-W423 HydrophobicContact CG1-CD2 4.47Å; V415-W423 HydrophobicContact CG1-CE3 4.39Å; V415-W423 HydrophobicContact CG1-CH2 3.39Å; V415-W423 HydrophobicContact CG1-CZ2 3.44Å; V415-W423 VanDerWaalsContact CG1-CZ2 3.44Å; V415-W423 HydrophobicContact CG1-CZ3 3.88Å; V415-W423 HydrophobicContact CG2-CH2 3.55Å; V415-W423 HydrophobicContact CG2-CZ2 4.38Å; V415-W423 HydrophobicContact CG2-CZ3 3.92Å; V415-L430 HydrophobicContact CG2-CD2 3.92Å; V415-I439 HydrophobicContact CG2-CG2 3.49Å; V415-I439 VanDerWaalsContact CG2-CG2 3.49Å; V415-H440 WeakPolarHBondContact CG2-O 3.13Å; V415-H440 PolarHBondContact N-O 2.88Å; V415-I476 HydrophobicContact CG2-CB 4.25Å; V415-I476 HydrophobicContact CG2-CD1 4.21Å; V415-L478 HydrophobicContact CG1-CD1 3.53Å; V415-L478 HydrophobicContact CG1-CD2 3.74Å; V415-L478 HydrophobicContact CG1-CG 3.59Å
416	Y	95.6	Very high	86.4	Confident	20 Å²	20	56.7 Å²	56.7	8%	0.078	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	84.3	170.8	-177.4	-144.9	0	0	0	110.3	I476 P481 A486 P487 F497	Y416-I476 PolarHBondContact N-O 3.29Å; Y416-P481 HydrophobicContact CE1-CG 3.89Å; Y416-P481 HydrophobicContact CE2-CG 3.91Å; Y416-P481 WeakPolarHBondContact OH-CG 3.46Å; Y416-A486 HydrophobicContact CD2-CB 4.13Å; Y416-A486 HydrophobicContact CE2-CB 3.63Å; Y416-P487 HydrophobicContact CD1-CG 3.71Å; Y416-P487 HydrophobicContact CE1-CG 3.49Å; Y416-P487 VanDerWaalsContact CE1-CG 3.49Å; Y416-F497 HydrophobicContact CD1-CE2 4.47Å
417	G	91.6	Very high	88.6	Confident	4 Å²	4	53.6 Å²	53.6	4%	0.041	28%	0.282	C	S	.	.			trans	-170.1	105.2	177.9	0	0	0	0	0	110	V415 W423 V443	V415-G417 PolarHBondContact O-N 2.63Å; V415-G417 VanDerWaalsContact O-N 3.16Å; G417-W423 PolarHBondContact O-NE1 3.03Å; G417-V443 WeakPolarHBondContact O-CG2 3.11Å
418	K	86.8	Confident	90.7	Very high	53 Å²	53	51.1 Å²	51.1	23%	0.23	26%	0.259	C	S	.	.			trans	-95.5	-12.9	-168.6	67.6	-159.1	-167.9	170.6	0	115	G273 G274 M422 N442 V443	G273-K418 WeakPolarHBondContact O-CD 3.43Å; G273-K418 WeakPolarHBondContact O-CE 3.4Å; G273-K418 PolarHBondContact O-NZ 3.12Å; G274-K418 PolarHBondContact O-NZ 2.89Å; K418-M422 HydrophobicContact CD-CE 4.46Å; K418-M422 HydrophobicContact CG-CE 3.87Å; K418-M422 HydrophobicContact CG-SD 4.16Å; K418-M422 PolarHBondContact N-SD 3.37Å; K418-N442 WeakPolarHBondContact CA-O 3.29Å; K418-V443 WeakPolarHBondContact O-CA 3.31Å
419	E	88	Confident	92.6	Very high	65 Å²	65	47.7 Å²	47.7	30%	0.304	24%	0.241	S	C	.	.	S	Bend	trans	-125	143.8	177.4	-65.4	177	95.2	0	0	110.3	Y421 M422 W423 D445	E419-Y421 VanDerWaalsContact C-N 3.26Å; E419-Y421 HydrophobicContact CB-CD1 3.68Å; E419-Y421 HydrophobicContact CB-CE1 3.48Å; E419-Y421 VanDerWaalsContact CB-CE1 3.48Å; E419-Y421 VanDerWaalsContact CD-CE1 3.45Å; E419-Y421 HydrophobicContact CG-CE1 4.1Å; E419-Y421 PolarHBondContact O-N 3Å; E419-Y421 VanDerWaalsContact O-N 3.14Å; E419-Y421 VanDerWaalsContact OE2-CE1 3.22Å; E419-Y421 WeakPolarHBondContact OE2-CE1 3.4Å; E419-Y421 PolarHBondContact OE2-OH 2.89Å; E419-Y421 VanDerWaalsContact OE2-OH 3.14Å; E419-M422 HydrophobicContact CB-CE 4.06Å; E419-M422 HydrophobicContact CB-CG 4.36Å; E419-M422 HydrophobicContact CB-SD 4.47Å; E419-M422 HydrophobicContact CG-CE 4.22Å; E419-M422 WeakPolarHBondContact O-CB 3.3Å; E419-M422 WeakPolarHBondContact O-CG 3.43Å; E419-M422 PolarHBondContact O-N 2.85Å; E419-M422 WeakPolarHBondContact OE2-CE 3.37Å; E419-W423 VanDerWaalsContact O-CD1 3.27Å; E419-D445 WeakPolarHBondContact CA-OD1 3.14Å
420	S	90.9	Very high	93.8	Very high	18 Å²	18	41.9 Å²	41.9	13%	0.126	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-53.3	-37.4	-174.2	62.9	0	0	0	0	114.3	M422 W423 D445	S420-M422 PolarHBondContact O-N 3.38Å; S420-W423 WeakPolarHBondContact O-CB 3.4Å; S420-W423 PolarHBondContact O-N 2.89Å; S420-W423 VanDerWaalsContact O-N 3.1Å; S420-D445 WeakPolarHBondContact CB-OD2 3.4Å; S420-D445 PolarHBondContact N-OD1 3.5Å; S420-D445 PolarHBondContact N-OD2 3.29Å; S420-D445 PolarHBondContact OG-OD2 3.32Å
421	Y	90.8	Very high	94.3	Very high	91 Å²	91	42 Å²	42	36%	0.357	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-64.7	-25.5	-179	75.5	-94.2	0	0	0	113.2	E419 W423 K424 F480	E419-Y421 VanDerWaalsContact C-N 3.26Å; E419-Y421 HydrophobicContact CB-CD1 3.68Å; E419-Y421 HydrophobicContact CB-CE1 3.48Å; E419-Y421 VanDerWaalsContact CB-CE1 3.48Å; E419-Y421 VanDerWaalsContact CD-CE1 3.45Å; E419-Y421 HydrophobicContact CG-CE1 4.1Å; E419-Y421 PolarHBondContact O-N 3Å; E419-Y421 VanDerWaalsContact O-N 3.14Å; E419-Y421 VanDerWaalsContact OE2-CE1 3.22Å; E419-Y421 WeakPolarHBondContact OE2-CE1 3.4Å; E419-Y421 PolarHBondContact OE2-OH 2.89Å; E419-Y421 VanDerWaalsContact OE2-OH 3.14Å; Y421-W423 PolarHBondContact O-N 3.33Å; Y421-K424 VanDerWaalsContact O-CB 3.28Å; Y421-K424 WeakPolarHBondContact O-CB 3.12Å; Y421-K424 PolarHBondContact O-N 2.82Å; Y421-F480 HydrophobicContact CE2-CD1 4.17Å; Y421-F480 HydrophobicContact CE2-CE1 4.22Å; Y421-F480 WeakPolarHBondContact OH-CE1 3.4Å
422	M	93.5	Very high	94.5	Very high	10 Å²	10	41 Å²	41	5%	0.049	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-66.5	-22	178.3	-55.9	-178.9	-179.3	0	0	111.7	K418 E419 S420 F480	K418-M422 HydrophobicContact CD-CE 4.46Å; K418-M422 HydrophobicContact CG-CE 3.87Å; K418-M422 HydrophobicContact CG-SD 4.16Å; K418-M422 PolarHBondContact N-SD 3.37Å; E419-M422 HydrophobicContact CB-CE 4.06Å; E419-M422 HydrophobicContact CB-CG 4.36Å; E419-M422 HydrophobicContact CB-SD 4.47Å; E419-M422 HydrophobicContact CG-CE 4.22Å; E419-M422 WeakPolarHBondContact O-CB 3.3Å; E419-M422 WeakPolarHBondContact O-CG 3.43Å; E419-M422 PolarHBondContact O-N 2.85Å; E419-M422 WeakPolarHBondContact OE2-CE 3.37Å; S420-M422 PolarHBondContact O-N 3.38Å; M422-F480 HydrophobicContact CE-CD1 3.97Å; M422-F480 HydrophobicContact CE-CE1 3.93Å; M422-F480 HydrophobicContact CG-CD1 4.08Å; M422-F480 HydrophobicContact SD-CD1 4.24Å
423	W	95.5	Very high	94.7	Very high	10 Å²	10	40.1 Å²	40.1	4%	0.038	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-88.1	-5.7	-178.9	-61.6	70	0	0	0	113	V415 G417 E419 S420 Y421 D425 K426 L430 V443 L450 V454 I456 L478	V415-W423 HydrophobicContact CB-CH2 3.33Å; V415-W423 HydrophobicContact CB-CZ2 3.67Å; V415-W423 HydrophobicContact CB-CZ3 4.09Å; V415-W423 HydrophobicContact CG1-CD2 4.47Å; V415-W423 HydrophobicContact CG1-CE3 4.39Å; V415-W423 HydrophobicContact CG1-CH2 3.39Å; V415-W423 HydrophobicContact CG1-CZ2 3.44Å; V415-W423 VanDerWaalsContact CG1-CZ2 3.44Å; V415-W423 HydrophobicContact CG1-CZ3 3.88Å; V415-W423 HydrophobicContact CG2-CH2 3.55Å; V415-W423 HydrophobicContact CG2-CZ2 4.38Å; V415-W423 HydrophobicContact CG2-CZ3 3.92Å; G417-W423 PolarHBondContact O-NE1 3.03Å; E419-W423 VanDerWaalsContact O-CD1 3.27Å; S420-W423 WeakPolarHBondContact O-CB 3.4Å; S420-W423 PolarHBondContact O-N 2.89Å; S420-W423 VanDerWaalsContact O-N 3.1Å; Y421-W423 PolarHBondContact O-N 3.33Å; W423-D425 PolarHBondContact O-N 2.92Å; W423-K426 WeakPolarHBondContact O-CB 3.2Å; W423-K426 PolarHBondContact O-N 3.02Å; W423-L430 HydrophobicContact CE3-CD1 3.51Å; W423-L430 HydrophobicContact CZ3-CD1 3.56Å; W423-V443 HydrophobicContact CZ2-CG2 3.72Å; W423-L450 HydrophobicContact CB-CD2 3.66Å; W423-L450 HydrophobicContact CD2-CD2 3.96Å; W423-L450 HydrophobicContact CE3-CD2 4.37Å; W423-L450 HydrophobicContact CG-CD2 3.63Å; W423-V454 HydrophobicContact CH2-CG1 3.96Å; W423-V454 HydrophobicContact CZ3-CG1 4.01Å; W423-V454 HydrophobicContact CZ3-CG2 4.31Å; W423-I456 HydrophobicContact CH2-CD1 4.19Å; W423-I456 HydrophobicContact CZ2-CD1 4.49Å; W423-L478 HydrophobicContact CD2-CD1 3.85Å; W423-L478 HydrophobicContact CE3-CD1 4.39Å; W423-L478 HydrophobicContact CG-CD1 3.92Å
424	K	93.7	Very high	94.7	Very high	142 Å²	142	41.1 Å²	41.1	62%	0.617	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	131	-178.9	-167.7	-169.4	170	-175.2	0	110.7	Y421 K426	Y421-K424 VanDerWaalsContact O-CB 3.28Å; Y421-K424 WeakPolarHBondContact O-CB 3.12Å; Y421-K424 PolarHBondContact O-N 2.82Å; K424-K426 WeakPolarHBondContact O-CG 3.4Å; K424-K426 PolarHBondContact O-N 3Å; K424-K426 PolarHBondContact O-NZ 2.83Å
425	D	93.5	Very high	94.6	Very high	130 Å²	130	45.1 Å²	45.1	70%	0.695	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	31.6	179.7	-47.2	-42.9	0	0	0	113.2	W423	W423-D425 PolarHBondContact O-N 2.92Å
426	K	96.1	Very high	94.6	Very high	42 Å²	42	46.7 Å²	46.7	18%	0.183	22%	0.224	C	C	.	.			trans	-115.5	-1.8	177.3	-54.2	-63.9	164.4	-75.6	0	114.3	W423 K424 N428 Y429 L430 L478 M544	W423-K426 WeakPolarHBondContact O-CB 3.2Å; W423-K426 PolarHBondContact O-N 3.02Å; K424-K426 WeakPolarHBondContact O-CG 3.4Å; K424-K426 PolarHBondContact O-N 3Å; K424-K426 PolarHBondContact O-NZ 2.83Å; K426-N428 VanDerWaalsContact C-N 3.33Å; K426-N428 PolarHBondContact O-N 3.45Å; K426-Y429 PolarHBondContact O-N 3.39Å; K426-L430 HydrophobicContact CB-CD1 4.43Å; K426-L430 WeakPolarHBondContact O-CG 3.26Å; K426-L430 PolarHBondContact O-N 3.1Å; K426-L478 HydrophobicContact CB-CD2 4.23Å; K426-L478 WeakPolarHBondContact CE-O 3.49Å; K426-L478 HydrophobicContact CG-CD2 4.23Å; K426-M544 HydrophobicContact CD-CE 4.38Å; K426-M544 HydrophobicContact CD-SD 3.96Å
427	T	95.6	Very high	94.6	Very high	74 Å²	74	45.8 Å²	45.8	45%	0.454	22%	0.221	S	C	.	.	H	α-helix	trans	-57.4	-42.1	-176.3	-51.7	0	0	0	0	113.1	L430 R431 P451 F453	T427-L430 PolarHBondContact O-N 2.92Å; T427-R431 WeakPolarHBondContact O-CB 3.25Å; T427-R431 PolarHBondContact O-N 2.89Å; T427-P451 HydrophobicContact CG2-CB 4.31Å; T427-P451 HydrophobicContact CG2-CG 4.06Å; T427-F453 HydrophobicContact CG2-CE1 4.31Å; T427-F453 HydrophobicContact CG2-CZ 4.45Å
428	N	96.5	Very high	94.8	Very high	70 Å²	70	47.7 Å²	47.7	37%	0.374	23%	0.228	S	C	.	.	H	α-helix	trans	-65.8	-45.4	-179.2	-168	49.5	0	0	0	112.2	K426 L430 R431 I432 E547	K426-N428 VanDerWaalsContact C-N 3.33Å; K426-N428 PolarHBondContact O-N 3.45Å; N428-L430 PolarHBondContact O-N 2.67Å; N428-R431 WeakPolarHBondContact O-CB 3.29Å; N428-R431 PolarHBondContact O-N 3.01Å; N428-R431 PolarHBondContact OD1-NE 3Å; N428-R431 PolarHBondContact OD1-NH2 3.01Å; N428-I432 WeakPolarHBondContact O-CG1 3.41Å; N428-I432 PolarHBondContact O-N 3.45Å; N428-E547 PolarHBondContact ND2-OE1 2.77Å
429	Y	97.8	Very high	95.3	Very high	5 Å²	5	45.2 Å²	45.2	2%	0.02	22%	0.218	C	C	.	.	H	α-helix	trans	-56.7	-49.9	175.8	169.7	-127.9	0	0	0	111.5	K426 R431 I432 L433 I476 G477 L478 I542 M544 I550	K426-Y429 PolarHBondContact O-N 3.39Å; Y429-R431 PolarHBondContact O-N 2.87Å; Y429-I432 PolarHBondContact O-N 3.37Å; Y429-L433 HydrophobicContact CD2-CD1 4.14Å; Y429-L433 HydrophobicContact CD2-CG 4.45Å; Y429-L433 HydrophobicContact CE1-CD1 4.11Å; Y429-L433 HydrophobicContact CE2-CD1 3.52Å; Y429-L433 HydrophobicContact CE2-CG 4.09Å; Y429-L433 PolarHBondContact O-N 3.28Å; Y429-I476 HydrophobicContact CE1-CG2 3.64Å; Y429-G477 WeakPolarHBondContact CE1-O 3.43Å; Y429-L478 HydrophobicContact CE1-CD2 4.48Å; Y429-I542 HydrophobicContact CE2-CD1 3.72Å; Y429-I542 HydrophobicContact CE2-CG1 4.23Å; Y429-M544 HydrophobicContact CD1-CG 4.06Å; Y429-M544 HydrophobicContact CD1-SD 4Å; Y429-M544 HydrophobicContact CD2-CB 4.4Å; Y429-M544 HydrophobicContact CD2-CG 4.29Å; Y429-M544 HydrophobicContact CE1-CG 4.05Å; Y429-M544 HydrophobicContact CE1-SD 4.04Å; Y429-M544 HydrophobicContact CE2-CG 4.28Å; Y429-M544 HydrophobicContact CG-CB 4.28Å; Y429-M544 HydrophobicContact CG-CG 4.18Å; Y429-I550 HydrophobicContact CD2-CD1 3.71Å; Y429-I550 HydrophobicContact CD2-CG1 4.12Å; Y429-I550 HydrophobicContact CD2-CG2 4.37Å; Y429-I550 HydrophobicContact CE2-CD1 4.29Å; Y429-I550 HydrophobicContact CE2-CG1 4.2Å; Y429-I550 HydrophobicContact CE2-CG2 4.34Å
430	L	98	Very high	95.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.2	-37.8	177.9	-65.4	173.1	0	0	0	112.4	V415 W423 K426 T427 N428 I432 L433 S434 I439 F453 I476 L478	V415-L430 HydrophobicContact CG2-CD2 3.92Å; W423-L430 HydrophobicContact CE3-CD1 3.51Å; W423-L430 HydrophobicContact CZ3-CD1 3.56Å; K426-L430 HydrophobicContact CB-CD1 4.43Å; K426-L430 WeakPolarHBondContact O-CG 3.26Å; K426-L430 PolarHBondContact O-N 3.1Å; T427-L430 PolarHBondContact O-N 2.92Å; N428-L430 PolarHBondContact O-N 2.67Å; L430-I432 PolarHBondContact O-N 3.22Å; L430-L433 PolarHBondContact O-N 3.28Å; L430-S434 WeakPolarHBondContact O-CB 3.49Å; L430-S434 PolarHBondContact O-N 2.87Å; L430-I439 HydrophobicContact CB-CD1 4.25Å; L430-I439 HydrophobicContact CD2-CD1 4.4Å; L430-I439 HydrophobicContact CD2-CG2 4.48Å; L430-I439 WeakPolarHBondContact O-CD1 3.29Å; L430-F453 HydrophobicContact CB-CE2 4.03Å; L430-F453 HydrophobicContact CB-CZ 4.18Å; L430-I476 HydrophobicContact CD2-CD1 4.47Å; L430-I476 HydrophobicContact CD2-CG2 4.12Å; L430-L478 HydrophobicContact CD2-CD2 4.18Å
431	R	97.4	Very high	96	Very high	102 Å²	102	41.8 Å²	41.8	39%	0.385	20%	0.2	S	C	.	.	H	α-helix	trans	-59.9	-44.8	177.1	-178.8	-173.5	65.5	80.9	-1.6	111.3	T427 N428 Y429 S434 F453	T427-R431 WeakPolarHBondContact O-CB 3.25Å; T427-R431 PolarHBondContact O-N 2.89Å; N428-R431 WeakPolarHBondContact O-CB 3.29Å; N428-R431 PolarHBondContact O-N 3.01Å; N428-R431 PolarHBondContact OD1-NE 3Å; N428-R431 PolarHBondContact OD1-NH2 3.01Å; Y429-R431 PolarHBondContact O-N 2.87Å; R431-S434 WeakPolarHBondContact O-CB 3.41Å; R431-S434 PolarHBondContact O-N 2.84Å; R431-S434 PolarHBondContact O-OG 3.26Å; R431-F453 HydrophobicContact CB-CE1 4.31Å; R431-F453 HydrophobicContact CB-CZ 3.96Å
432	I	97.7	Very high	96.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-43.9	177.8	-63.3	163.3	0	0	0	110.8	N428 Y429 L430 S434 D435 Y436 E547 I550 R551	N428-I432 WeakPolarHBondContact O-CG1 3.41Å; N428-I432 PolarHBondContact O-N 3.45Å; Y429-I432 PolarHBondContact O-N 3.37Å; L430-I432 PolarHBondContact O-N 3.22Å; I432-S434 PolarHBondContact O-N 2.88Å; I432-D435 WeakPolarHBondContact O-CB 3.44Å; I432-D435 PolarHBondContact O-N 2.94Å; I432-Y436 WeakPolarHBondContact O-CD2 3.35Å; I432-E547 HydrophobicContact CD1-CB 3.83Å; I432-E547 HydrophobicContact CD1-CG 3.48Å; I432-E547 VanDerWaalsContact CD1-CG 3.48Å; I432-I550 HydrophobicContact CB-CG2 4.17Å; I432-I550 HydrophobicContact CD1-CD1 4.34Å; I432-I550 HydrophobicContact CG2-CB 4.28Å; I432-I550 HydrophobicContact CG2-CG2 3.6Å; I432-R551 HydrophobicContact CG2-CG 3.6Å
433	L	97.7	Very high	96	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-29.6	176.4	-70.2	178.8	0	0	0	112.4	Y429 L430 D435 Y436 F437 I439 I476 L498 I550 A554	Y429-L433 HydrophobicContact CD2-CD1 4.14Å; Y429-L433 HydrophobicContact CD2-CG 4.45Å; Y429-L433 HydrophobicContact CE1-CD1 4.11Å; Y429-L433 HydrophobicContact CE2-CD1 3.52Å; Y429-L433 HydrophobicContact CE2-CG 4.09Å; Y429-L433 PolarHBondContact O-N 3.28Å; L430-L433 PolarHBondContact O-N 3.28Å; L433-D435 PolarHBondContact O-N 3.02Å; L433-Y436 PolarHBondContact O-N 3.01Å; L433-F437 HydrophobicContact CB-CD2 4.32Å; L433-F437 HydrophobicContact CD2-CD2 4.28Å; L433-F437 HydrophobicContact CD2-CE2 4.03Å; L433-F437 PolarHBondContact O-N 3.27Å; L433-I439 HydrophobicContact CB-CD1 4.07Å; L433-I476 HydrophobicContact CD1-CD1 3.89Å; L433-I476 HydrophobicContact CD1-CG1 4.28Å; L433-I476 HydrophobicContact CD1-CG2 3.89Å; L433-L498 HydrophobicContact CD1-CD1 3.77Å; L433-L498 HydrophobicContact CD2-CD1 4.03Å; L433-I550 HydrophobicContact CD2-CG2 3.71Å; L433-I550 HydrophobicContact CG-CG2 4.05Å; L433-A554 HydrophobicContact CD2-CB 4.29Å
434	S	96.7	Very high	95.5	Very high	21 Å²	21	40.1 Å²	40.1	15%	0.147	20%	0.197	C	C	.	.	H	α-helix	trans	-66	-19.3	178.8	81	0	0	0	0	112.9	R410 L430 R431 I432 Y436 F437	R410-S434 PolarHBondContact NH1-O 3.28Å; L430-S434 WeakPolarHBondContact O-CB 3.49Å; L430-S434 PolarHBondContact O-N 2.87Å; R431-S434 WeakPolarHBondContact O-CB 3.41Å; R431-S434 PolarHBondContact O-N 2.84Å; R431-S434 PolarHBondContact O-OG 3.26Å; I432-S434 PolarHBondContact O-N 2.88Å; S434-Y436 PolarHBondContact O-N 3.04Å; S434-F437 WeakPolarHBondContact CA-O 3.43Å
435	D	96.2	Very high	95.2	Very high	85 Å²	85	35.6 Å²	35.6	46%	0.455	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.2	171.4	-63.9	-20.6	0	0	0	111.4	I432 L433 R551	I432-D435 WeakPolarHBondContact O-CB 3.44Å; I432-D435 PolarHBondContact O-N 2.94Å; L433-D435 PolarHBondContact O-N 3.02Å; D435-R551 IonicContact OD2-CZ 3.8Å; D435-R551 IonicContact OD2-NH1 2.84Å; D435-R551 PolarHBondContact OD2-NH1 2.83Å; D435-R551 IonicContact OD2-NH2 3.84Å
436	Y	96.2	Very high	94.9	Very high	38 Å²	38	35.6 Å²	35.6	15%	0.149	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-29.7	-173.2	-57.5	-83.2	0	0	0	113.6	R410 I432 L433 S434 R551 A554 K555 L558	R410-Y436 WeakPolarHBondContact CB-O 3.21Å; I432-Y436 WeakPolarHBondContact O-CD2 3.35Å; L433-Y436 PolarHBondContact O-N 3.01Å; S434-Y436 PolarHBondContact O-N 3.04Å; Y436-R551 HydrophobicContact CE2-CB 4.45Å; Y436-R551 HydrophobicContact CE2-CG 4.24Å; Y436-A554 HydrophobicContact CD1-CB 4.21Å; Y436-A554 HydrophobicContact CD2-CB 3.54Å; Y436-A554 HydrophobicContact CE2-CB 4Å; Y436-A554 HydrophobicContact CG-CB 3.66Å; Y436-K555 HydrophobicContact CE1-CG 3.79Å; Y436-L558 HydrophobicContact CD1-CD1 3.89Å
437	F	95.9	Very high	94.5	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	18%	0.175	C	C	.	.	S	Bend	trans	-128.1	150.1	-171.4	-51.3	-48.2	0	0	0	112	P411 A413 L433 S434 I474 A554 I557 L558	P411-F437 HydrophobicContact CG-CD1 3.78Å; P411-F437 HydrophobicContact CG-CE1 4.06Å; P411-F437 WeakPolarHBondContact O-CA 3.1Å; A413-F437 HydrophobicContact CB-CB 3.78Å; A413-F437 HydrophobicContact CB-CD2 4.38Å; A413-F437 HydrophobicContact CB-CG 4.19Å; L433-F437 HydrophobicContact CB-CD2 4.32Å; L433-F437 HydrophobicContact CD2-CD2 4.28Å; L433-F437 HydrophobicContact CD2-CE2 4.03Å; L433-F437 PolarHBondContact O-N 3.27Å; S434-F437 WeakPolarHBondContact CA-O 3.43Å; F437-I474 HydrophobicContact CD1-CD1 3.78Å; F437-I474 HydrophobicContact CE1-CD1 3.75Å; F437-I474 HydrophobicContact CE1-CG1 4.42Å; F437-I474 HydrophobicContact CG-CD1 4.29Å; F437-I474 HydrophobicContact CZ-CD1 4.24Å; F437-I474 HydrophobicContact CZ-CG1 4.43Å; F437-A554 HydrophobicContact CE2-CB 4.09Å; F437-A554 HydrophobicContact CZ-CB 4.14Å; F437-I557 HydrophobicContact CE1-CG2 4.37Å; F437-I557 HydrophobicContact CZ-CB 4.34Å; F437-I557 HydrophobicContact CZ-CG2 3.98Å; F437-L558 HydrophobicContact CD1-CD2 4.44Å; F437-L558 HydrophobicContact CE1-CD2 3.83Å; F437-L558 HydrophobicContact CE1-CG 4.17Å
438	E	96.2	Very high	94.2	Very high	43 Å²	43	38.7 Å²	38.7	20%	0.201	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	115.6	164	-170.4	179.9	175.9	0	0	108.6	P411 A413 H440 H455	P411-E438 PolarHBondContact O-N 3.04Å; A413-E438 PolarHBondContact N-O 3.1Å; E438-H440 IonicContact OE1-NE2 3.42Å; E438-H440 PolarHBondContact OE1-NE2 2.98Å; E438-H455 IonicContact OE1-CD2 3.77Å; E438-H455 IonicContact OE1-NE2 3.68Å
439	I	97.6	Very high	93.8	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124.9	-170.6	-54	-172.5	0	0	0	110.6	V415 L430 L433 F453 V454 H455 I476	V415-I439 HydrophobicContact CG2-CG2 3.49Å; V415-I439 VanDerWaalsContact CG2-CG2 3.49Å; L430-I439 HydrophobicContact CB-CD1 4.25Å; L430-I439 HydrophobicContact CD2-CD1 4.4Å; L430-I439 HydrophobicContact CD2-CG2 4.48Å; L430-I439 WeakPolarHBondContact O-CD1 3.29Å; L433-I439 HydrophobicContact CB-CD1 4.07Å; I439-F453 HydrophobicContact CD1-CE2 4.44Å; I439-V454 HydrophobicContact CB-CG2 4.27Å; I439-V454 HydrophobicContact CG2-CB 4.47Å; I439-V454 HydrophobicContact CG2-CG1 3.93Å; I439-V454 HydrophobicContact CG2-CG2 3.93Å; I439-V454 WeakPolarHBondContact O-CA 3.28Å; I439-H455 PolarHBondContact O-N 3.22Å; I439-I476 HydrophobicContact CD1-CD1 4.43Å; I439-I476 HydrophobicContact CG1-CD1 4.49Å; I439-I476 HydrophobicContact CG2-CD1 4.33Å
440	H	97.4	Very high	93.6	Very high	11 Å²	11	41.6 Å²	41.6	5%	0.051	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	151.2	178.1	-70.8	-127.1	0	0	0	110	M412 A413 L414 V415 E438 H455 H457	M412-H440 WeakPolarHBondContact CE-CE1 3.36Å; A413-H440 PolarHBondContact O-N 2.74Å; L414-H440 HydrophobicContact CD1-CB 4.08Å; V415-H440 WeakPolarHBondContact CG2-O 3.13Å; V415-H440 PolarHBondContact N-O 2.88Å; E438-H440 IonicContact OE1-NE2 3.42Å; E438-H440 PolarHBondContact OE1-NE2 2.98Å; H440-H455 CarbonylContact C-O 3.51Å; H440-H455 VanDerWaalsContact CA-O 3.29Å; H440-H455 WeakPolarHBondContact CA-O 3.21Å; H440-H457 AromaticContact CE1-NE2 3.74Å; H440-H457 AromaticContact CG-NE2 3.8Å; H440-H457 AromaticContact ND1-CD2 3.91Å; H440-H457 AromaticContact ND1-CE1 3.69Å; H440-H457 AromaticContact ND1-NE2 2.9Å; H440-H457 PolarHBondContact ND1-NE2 3.43Å
441	G	95.2	Very high	93.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	160.6	174.6	0	0	0	0	0	112.2	H455 I456 H457	G441-H455 PolarHBondContact N-O 3.25Å; G441-I456 WeakPolarHBondContact O-CA 3.34Å; G441-H457 PolarHBondContact O-N 3.47Å
442	N	93.5	Very high	93.2	Very high	18 Å²	18	47.8 Å²	47.8	10%	0.096	23%	0.234	C	C	.	.			trans	-130.9	85.9	176.1	-169.2	47.8	0	0	0	110.4	K418 Q458 I459 Y465	K418-N442 WeakPolarHBondContact CA-O 3.29Å; N442-Q458 PolarHBondContact OD1-N 3.12Å; N442-I459 PolarHBondContact ND2-O 3.2Å; N442-I459 PolarHBondContact OD1-N 3.29Å; N442-I459 PolarHBondContact OD1-O 3.15Å; N442-Y465 HydrophobicContact CB-CD2 4.18Å; N442-Y465 HydrophobicContact CB-CE2 4.04Å; N442-Y465 WeakPolarHBondContact ND2-CD2 3.16Å
443	V	91.2	Very high	93.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.25	C	C	.	.			trans	-117.8	132.6	-177.6	-176.4	0	0	0	0	108.8	G417 K418 W423 D445 L450 I456 Q458	G417-V443 WeakPolarHBondContact O-CG2 3.11Å; K418-V443 WeakPolarHBondContact O-CA 3.31Å; W423-V443 HydrophobicContact CZ2-CG2 3.72Å; V443-D445 VanDerWaalsContact CG1-O 3.24Å; V443-D445 WeakPolarHBondContact CG1-O 3.5Å; V443-D445 WeakPolarHBondContact CG1-OD1 3.31Å; V443-L450 HydrophobicContact CB-CD1 3.86Å; V443-L450 HydrophobicContact CG1-CD1 4.07Å; V443-L450 HydrophobicContact CG2-CD1 3.77Å; V443-I456 HydrophobicContact CB-CG2 4.34Å; V443-Q458 WeakPolarHBondContact O-CG 3.34Å
444	L	85.7	Confident	93	Very high	57 Å²	57	52 Å²	52	30%	0.298	25%	0.253	S	S	.	.			trans	-94.3	-21.6	-178.9	-62.4	-177.1	0	0	0	113.5	K272 Q458	K272-L444 WeakPolarHBondContact O-CD1 3.39Å; L444-Q458 VanDerWaalsContact CD2-C 3.48Å; L444-Q458 HydrophobicContact CD2-CB 4.3Å
445	D	86.9	Confident	92.9	Very high	48 Å²	48	55.5 Å²	55.5	26%	0.257	27%	0.267	S	S	.	.	S	Bend	trans	-113.1	148.4	-175.7	73.4	-52.1	0	0	0	113.1	E419 S420 V443 V447	E419-D445 WeakPolarHBondContact CA-OD1 3.14Å; S420-D445 WeakPolarHBondContact CB-OD2 3.4Å; S420-D445 PolarHBondContact N-OD1 3.5Å; S420-D445 PolarHBondContact N-OD2 3.29Å; S420-D445 PolarHBondContact OG-OD2 3.32Å; V443-D445 VanDerWaalsContact CG1-O 3.24Å; V443-D445 WeakPolarHBondContact CG1-O 3.5Å; V443-D445 WeakPolarHBondContact CG1-OD1 3.31Å; D445-V447 PolarHBondContact O-N 3.41Å
446	K	86.4	Confident	92.9	Very high	130 Å²	130	53.4 Å²	53.4	57%	0.565	26%	0.255	S	S	*	.			trans	45.9	41	167.2	-58.1	-178.1	-178.6	175.8	0	115.6	E448 N449	K446-E448 WeakPolarHBondContact CA-OE1 3.29Å; K446-E448 WeakPolarHBondContact CA-OE2 3.29Å; K446-E448 PolarHBondContact O-N 3.21Å; K446-N449 PolarHBondContact O-N 2.84Å
447	V	88	Confident	92.7	Very high	35 Å²	35	55 Å²	55	21%	0.212	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-60.3	-27.6	-175.1	177.4	0	0	0	0	112.1	D445 N449 L450 I456 Q458	D445-V447 PolarHBondContact O-N 3.41Å; V447-N449 PolarHBondContact O-N 2.97Å; V447-N449 VanDerWaalsContact O-N 3.11Å; V447-L450 HydrophobicContact CG1-CD1 4.43Å; V447-L450 WeakPolarHBondContact O-CB 3.29Å; V447-L450 PolarHBondContact O-N 3.29Å; V447-I456 HydrophobicContact CG1-CB 3.98Å; V447-I456 HydrophobicContact CG1-CG1 4.09Å; V447-I456 HydrophobicContact CG1-CG2 3.85Å; V447-I456 HydrophobicContact CG2-CG2 4.07Å; V447-Q458 HydrophobicContact CG2-CG 4.04Å
448	E	89.4	Confident	92.5	Very high	145 Å²	145	60.1 Å²	60.1	68%	0.678	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-59.2	-21.8	178	66.3	-76.2	172	0	0	114.5	K446	K446-E448 WeakPolarHBondContact CA-OE1 3.29Å; K446-E448 WeakPolarHBondContact CA-OE2 3.29Å; K446-E448 PolarHBondContact O-N 3.21Å
449	N	88.3	Confident	92.1	Very high	120 Å²	120	60.6 Å²	60.6	64%	0.642	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-91.8	-3.4	179.3	-60.8	-59.3	0	0	0	113.4	K446 V447	K446-N449 PolarHBondContact O-N 2.84Å; V447-N449 PolarHBondContact O-N 2.97Å; V447-N449 VanDerWaalsContact O-N 3.11Å
450	L	93.2	Very high	91.2	Very high	17 Å²	17	67 Å²	67	9%	0.089	32%	0.321	C	S	.	.	S	Bend	trans	-85	156.6	-176.9	-59.8	179.5	0	0	0	111.6	W423 V443 V447 K452 I456	W423-L450 HydrophobicContact CB-CD2 3.66Å; W423-L450 HydrophobicContact CD2-CD2 3.96Å; W423-L450 HydrophobicContact CE3-CD2 4.37Å; W423-L450 HydrophobicContact CG-CD2 3.63Å; V443-L450 HydrophobicContact CB-CD1 3.86Å; V443-L450 HydrophobicContact CG1-CD1 4.07Å; V443-L450 HydrophobicContact CG2-CD1 3.77Å; V447-L450 HydrophobicContact CG1-CD1 4.43Å; V447-L450 WeakPolarHBondContact O-CB 3.29Å; V447-L450 PolarHBondContact O-N 3.29Å; L450-K452 PolarHBondContact O-N 3.06Å; L450-I456 HydrophobicContact CD1-CD1 3.79Å; L450-I456 HydrophobicContact CD1-CG1 4.04Å
451	P	94.2	Very high	90.2	Very high	18 Å²	18	69.3 Å²	69.3	12%	0.117	33%	0.329	C	S	.	.			trans	-62.2	125.2	-179.5	-19	30.9	0	0	0	111.9	T427 F453 V454	T427-P451 HydrophobicContact CG2-CB 4.31Å; T427-P451 HydrophobicContact CG2-CG 4.06Å; P451-F453 HydrophobicContact CB-CD1 3.88Å; P451-F453 HydrophobicContact CB-CE1 3.39Å; P451-F453 HydrophobicContact CB-CE2 4.11Å; P451-F453 HydrophobicContact CB-CG 4.43Å; P451-F453 HydrophobicContact CB-CZ 3.52Å; P451-F453 HydrophobicContact CG-CE1 4.44Å; P451-F453 HydrophobicContact CG-CZ 4.23Å; P451-F453 PolarHBondContact O-N 2.88Å; P451-V454 HydrophobicContact CB-CG2 4.19Å; P451-V454 WeakPolarHBondContact O-CB 3.27Å; P451-V454 PolarHBondContact O-N 3Å
452	K	93.9	Very high	89.5	Confident	214 Å²	214	69.8 Å²	69.8	93%	0.93	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-18	-174.4	-64.3	-174.8	178.1	-178	0	115.2	L450 V454	L450-K452 PolarHBondContact O-N 3.06Å; K452-V454 PolarHBondContact O-N 3.26Å
453	F	95	Very high	89	Confident	77 Å²	77	73.8 Å²	73.8	34%	0.338	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	0	176.7	60.4	-101.2	0	0	0	113.3	T427 L430 R431 I439 P451	T427-F453 HydrophobicContact CG2-CE1 4.31Å; T427-F453 HydrophobicContact CG2-CZ 4.45Å; L430-F453 HydrophobicContact CB-CE2 4.03Å; L430-F453 HydrophobicContact CB-CZ 4.18Å; R431-F453 HydrophobicContact CB-CE1 4.31Å; R431-F453 HydrophobicContact CB-CZ 3.96Å; I439-F453 HydrophobicContact CD1-CE2 4.44Å; P451-F453 HydrophobicContact CB-CD1 3.88Å; P451-F453 HydrophobicContact CB-CE1 3.39Å; P451-F453 HydrophobicContact CB-CE2 4.11Å; P451-F453 HydrophobicContact CB-CG 4.43Å; P451-F453 HydrophobicContact CB-CZ 3.52Å; P451-F453 HydrophobicContact CG-CE1 4.44Å; P451-F453 HydrophobicContact CG-CZ 4.23Å; P451-F453 PolarHBondContact O-N 2.88Å
454	V	96.2	Very high	88.8	Confident	11 Å²	11	76.9 Å²	76.9	7%	0.067	37%	0.373	C	S	.	.	S	Bend	trans	-102.2	130.3	177.5	-178.5	0	0	0	0	110.1	W423 I439 P451 K452 I456	W423-V454 HydrophobicContact CH2-CG1 3.96Å; W423-V454 HydrophobicContact CZ3-CG1 4.01Å; W423-V454 HydrophobicContact CZ3-CG2 4.31Å; I439-V454 HydrophobicContact CB-CG2 4.27Å; I439-V454 HydrophobicContact CG2-CB 4.47Å; I439-V454 HydrophobicContact CG2-CG1 3.93Å; I439-V454 HydrophobicContact CG2-CG2 3.93Å; I439-V454 WeakPolarHBondContact O-CA 3.28Å; P451-V454 HydrophobicContact CB-CG2 4.19Å; P451-V454 WeakPolarHBondContact O-CB 3.27Å; P451-V454 PolarHBondContact O-N 3Å; K452-V454 PolarHBondContact O-N 3.26Å; V454-I456 HydrophobicContact CB-CD1 4.35Å; V454-I456 HydrophobicContact CG1-CD1 3.61Å; V454-I456 HydrophobicContact CG1-CG1 4.41Å; V454-I456 PolarHBondContact O-N 2.9Å
455	H	95.5	Very high	89	Confident	96 Å²	96	75 Å²	75	44%	0.444	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	104.2	176.9	-61.7	-82.4	0	0	0	110.8	E438 I439 H440 G441 H457	E438-H455 IonicContact OE1-CD2 3.77Å; E438-H455 IonicContact OE1-NE2 3.68Å; I439-H455 PolarHBondContact O-N 3.22Å; H440-H455 CarbonylContact C-O 3.51Å; H440-H455 VanDerWaalsContact CA-O 3.29Å; H440-H455 WeakPolarHBondContact CA-O 3.21Å; G441-H455 PolarHBondContact N-O 3.25Å; H455-H457 PolarHBondContact O-CD2 3.15Å; H455-H457 VanDerWaalsContact O-CD2 3.3Å
456	I	95.5	Very high	89	Confident	40 Å²	40	72.8 Å²	72.8	21%	0.205	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.5	-177.7	-54.4	-63.8	0	0	0	111.1	W423 G441 V443 V447 L450 V454 Q458	W423-I456 HydrophobicContact CH2-CD1 4.19Å; W423-I456 HydrophobicContact CZ2-CD1 4.49Å; G441-I456 WeakPolarHBondContact O-CA 3.34Å; V443-I456 HydrophobicContact CB-CG2 4.34Å; V447-I456 HydrophobicContact CG1-CB 3.98Å; V447-I456 HydrophobicContact CG1-CG1 4.09Å; V447-I456 HydrophobicContact CG1-CG2 3.85Å; V447-I456 HydrophobicContact CG2-CG2 4.07Å; L450-I456 HydrophobicContact CD1-CD1 3.79Å; L450-I456 HydrophobicContact CD1-CG1 4.04Å; V454-I456 HydrophobicContact CB-CD1 4.35Å; V454-I456 HydrophobicContact CG1-CD1 3.61Å; V454-I456 HydrophobicContact CG1-CG1 4.41Å; V454-I456 PolarHBondContact O-N 2.9Å; I456-Q458 HydrophobicContact CG2-CG 3.94Å
457	H	92.7	Very high	89.1	Confident	71 Å²	71	70.3 Å²	70.3	33%	0.329	34%	0.34	S	S	.	.			trans	-94.6	-25.4	-172	-70.3	-97.2	0	0	0	115	H440 G441 H455 I459 L468	H440-H457 AromaticContact CE1-NE2 3.74Å; H440-H457 AromaticContact CG-NE2 3.8Å; H440-H457 AromaticContact ND1-CD2 3.91Å; H440-H457 AromaticContact ND1-CE1 3.69Å; H440-H457 AromaticContact ND1-NE2 2.9Å; H440-H457 PolarHBondContact ND1-NE2 3.43Å; G441-H457 PolarHBondContact O-N 3.47Å; H455-H457 PolarHBondContact O-CD2 3.15Å; H455-H457 VanDerWaalsContact O-CD2 3.3Å; H457-I459 VanDerWaalsContact C-N 3.35Å; H457-I459 HydrophobicContact CB-CD1 3.76Å; H457-I459 HydrophobicContact CB-CG1 3.89Å; H457-I459 WeakPolarHBondContact O-CG1 3.17Å; H457-I459 PolarHBondContact O-N 2.89Å; H457-L468 HydrophobicContact CB-CD2 3.97Å
458	Q	90.3	Very high	89.3	Confident	110 Å²	110	69 Å²	69	51%	0.514	33%	0.332	S	S	.	.			trans	50.5	42.9	-178.9	-51.8	-166.8	-116.2	0	0	115.5	N442 V443 L444 V447 I456	N442-Q458 PolarHBondContact OD1-N 3.12Å; V443-Q458 WeakPolarHBondContact O-CG 3.34Å; L444-Q458 VanDerWaalsContact CD2-C 3.48Å; L444-Q458 HydrophobicContact CD2-CB 4.3Å; V447-Q458 HydrophobicContact CG2-CG 4.04Å; I456-Q458 HydrophobicContact CG2-CG 3.94Å
459	I	87.8	Confident	89.3	Confident	52 Å²	52	62.2 Å²	62.2	27%	0.267	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-103.7	143.6	-176.7	-47.8	168.1	0	0	0	110.9	N442 H457 P464	N442-I459 PolarHBondContact ND2-O 3.2Å; N442-I459 PolarHBondContact OD1-N 3.29Å; N442-I459 PolarHBondContact OD1-O 3.15Å; H457-I459 VanDerWaalsContact C-N 3.35Å; H457-I459 HydrophobicContact CB-CD1 3.76Å; H457-I459 HydrophobicContact CB-CG1 3.89Å; H457-I459 WeakPolarHBondContact O-CG1 3.17Å; H457-I459 PolarHBondContact O-N 2.89Å; I459-P464 HydrophobicContact CG2-CB 3.46Å; I459-P464 VanDerWaalsContact CG2-CB 3.46Å; I459-P464 HydrophobicContact CG2-CG 4.32Å
460	Q	78.5	Confident	89.3	Confident	136 Å²	136	57.6 Å²	57.6	64%	0.636	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-65.9	150.7	171.6	-70.9	-176.4	-17.1	0	0	111.9
461	Y	77.4	Confident	89.1	Confident	60 Å²	60	63.1 Å²	63.1	24%	0.235	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	139.8	176.6	-165.3	-89	0	0	0	111.1	F183 L276 Y465 E489	F183-Y461 HydrophobicContact CD2-CD1 4.39Å; F183-Y461 AromaticContact CE2-CD1 3.7Å; F183-Y461 HydrophobicContact CE2-CD1 3.7Å; F183-Y461 AromaticContact CE2-CE1 3.9Å; F183-Y461 HydrophobicContact CE2-CE1 3.9Å; L276-Y461 HydrophobicContact CD1-CD1 3.82Å; L276-Y461 HydrophobicContact CD1-CD2 4.16Å; L276-Y461 HydrophobicContact CD1-CE1 4.45Å; L276-Y461 HydrophobicContact CD1-CG 3.64Å; Y461-Y465 AromaticContact CD2-CD1 3.62Å; Y461-Y465 HydrophobicContact CD2-CD1 3.62Å; Y461-Y465 HydrophobicContact CD2-CE1 4.01Å; Y461-Y465 HydrophobicContact CD2-CG 4.05Å; Y461-Y465 AromaticContact CE2-CD1 3.42Å; Y461-Y465 HydrophobicContact CE2-CD1 3.42Å; Y461-Y465 VanDerWaalsContact CE2-CD1 3.42Å; Y461-Y465 AromaticContact CE2-CE1 3.54Å; Y461-Y465 HydrophobicContact CE2-CE1 3.54Å; Y461-Y465 HydrophobicContact CE2-CG 4.31Å; Y461-E489 PolarHBondContact OH-OE2 3.14Å
462	G	79.6	Confident	89	Confident	10 Å²	10	62.2 Å²	62.2	10%	0.103	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	143.3	-157.2	-175.6	0	0	0	0	0	110.6	Y465 L466	G462-Y465 PolarHBondContact O-N 3.26Å; G462-Y465 VanDerWaalsContact O-N 3.1Å; G462-L466 WeakPolarHBondContact O-CG 3.36Å; G462-L466 PolarHBondContact O-N 3.35Å
463	Q	83.3	Confident	89	Confident	102 Å²	102	54.6 Å²	54.6	48%	0.477	26%	0.263	S	S	.	.	H	α-helix	trans	-52.9	-44.3	-178.4	-178.9	177.4	-23.5	0	0	113.8	F398 Y465 L466 E467	F398-Q463 HydrophobicContact CE2-CG 4.09Å; F398-Q463 HydrophobicContact CZ-CG 4.03Å; Q463-Y465 VanDerWaalsContact C-N 3.33Å; Q463-Y465 PolarHBondContact O-N 2.75Å; Q463-L466 PolarHBondContact O-N 2.75Å; Q463-E467 HydrophobicContact CG-CG 4.37Å; Q463-E467 WeakPolarHBondContact CG-OE1 3.29Å; Q463-E467 PolarHBondContact NE2-OE1 3.04Å; Q463-E467 WeakPolarHBondContact O-CG 3.35Å; Q463-E467 PolarHBondContact O-N 3.23Å
464	P	88	Confident	89.1	Confident	66 Å²	66	50.9 Å²	50.9	43%	0.429	25%	0.246	S	C	.	.	H	α-helix	trans	-60.9	-37.4	177.8	-28.5	38.8	0	0	0	114.4	I459 L468	I459-P464 HydrophobicContact CG2-CB 3.46Å; I459-P464 VanDerWaalsContact CG2-CB 3.46Å; I459-P464 HydrophobicContact CG2-CG 4.32Å; P464-L468 PolarHBondContact O-N 2.96Å
465	Y	88.7	Confident	89.1	Confident	18 Å²	18	50.4 Å²	50.4	7%	0.071	24%	0.243	C	C	.	.	H	α-helix	trans	-70	-39.5	175.4	175.9	-95.8	0	0	0	111.4	L414 N442 Y461 G462 Q463 E467 L468 M469	L414-Y465 HydrophobicContact CD2-CE2 4.16Å; N442-Y465 HydrophobicContact CB-CD2 4.18Å; N442-Y465 HydrophobicContact CB-CE2 4.04Å; N442-Y465 WeakPolarHBondContact ND2-CD2 3.16Å; Y461-Y465 AromaticContact CD2-CD1 3.62Å; Y461-Y465 HydrophobicContact CD2-CD1 3.62Å; Y461-Y465 HydrophobicContact CD2-CE1 4.01Å; Y461-Y465 HydrophobicContact CD2-CG 4.05Å; Y461-Y465 AromaticContact CE2-CD1 3.42Å; Y461-Y465 HydrophobicContact CE2-CD1 3.42Å; Y461-Y465 VanDerWaalsContact CE2-CD1 3.42Å; Y461-Y465 AromaticContact CE2-CE1 3.54Å; Y461-Y465 HydrophobicContact CE2-CE1 3.54Å; Y461-Y465 HydrophobicContact CE2-CG 4.31Å; G462-Y465 PolarHBondContact O-N 3.26Å; G462-Y465 VanDerWaalsContact O-N 3.1Å; Q463-Y465 VanDerWaalsContact C-N 3.33Å; Q463-Y465 PolarHBondContact O-N 2.75Å; Y465-E467 VanDerWaalsContact C-N 3.33Å; Y465-E467 PolarHBondContact O-N 3.43Å; Y465-L468 WeakPolarHBondContact O-CB 3.14Å; Y465-L468 PolarHBondContact O-N 3.11Å; Y465-M469 HydrophobicContact CE1-SD 4.49Å; Y465-M469 WeakPolarHBondContact O-CB 3.44Å; Y465-M469 PolarHBondContact O-N 3.16Å
466	L	87.3	Confident	89.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-38.9	175.6	-64.7	172.4	0	0	0	111.5	E396 F398 G462 Q463 M469 S470	E396-L466 WeakPolarHBondContact OE1-CD1 3.17Å; F398-L466 HydrophobicContact CB-CB 4.4Å; F398-L466 HydrophobicContact CD1-CB 4.46Å; F398-L466 HydrophobicContact CD2-CB 3.92Å; F398-L466 HydrophobicContact CD2-CD1 3.86Å; F398-L466 HydrophobicContact CE2-CB 4.29Å; F398-L466 HydrophobicContact CE2-CD1 4.38Å; F398-L466 HydrophobicContact CG-CB 4.01Å; G462-L466 WeakPolarHBondContact O-CG 3.36Å; G462-L466 PolarHBondContact O-N 3.35Å; Q463-L466 PolarHBondContact O-N 2.75Å; L466-M469 HydrophobicContact CD2-CE 3.7Å; L466-M469 PolarHBondContact O-N 3.48Å; L466-S470 WeakPolarHBondContact O-CB 3.03Å; L466-S470 PolarHBondContact O-N 2.89Å
467	E	88.8	Confident	89.4	Confident	79 Å²	79	43.9 Å²	43.9	37%	0.369	21%	0.212	S	C	.	.	H	α-helix	trans	-62	-42.8	172.1	-73.7	174.8	-168.8	0	0	111.9	F398 Q463 Y465 S470 K471	F398-E467 HydrophobicContact CE1-CG 3.95Å; F398-E467 HydrophobicContact CZ-CG 4Å; Q463-E467 HydrophobicContact CG-CG 4.37Å; Q463-E467 WeakPolarHBondContact CG-OE1 3.29Å; Q463-E467 PolarHBondContact NE2-OE1 3.04Å; Q463-E467 WeakPolarHBondContact O-CG 3.35Å; Q463-E467 PolarHBondContact O-N 3.23Å; Y465-E467 VanDerWaalsContact C-N 3.33Å; Y465-E467 PolarHBondContact O-N 3.43Å; E467-S470 PolarHBondContact O-N 2.82Å; E467-S470 PolarHBondContact O-OG 2.05Å; E467-K471 WeakPolarHBondContact O-CG 3.35Å
468	L	91.2	Very high	89.6	Confident	8 Å²	8	40.7 Å²	40.7	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-49.4	171.4	175.6	63.3	0	0	0	111.6	L414 H457 P464 Y465 S470 K471	L414-L468 HydrophobicContact CD1-CD2 3.95Å; L414-L468 HydrophobicContact CD1-CG 4.29Å; H457-L468 HydrophobicContact CB-CD2 3.97Å; P464-L468 PolarHBondContact O-N 2.96Å; Y465-L468 WeakPolarHBondContact O-CB 3.14Å; Y465-L468 PolarHBondContact O-N 3.11Å; L468-S470 VanDerWaalsContact C-N 3.29Å; L468-S470 PolarHBondContact O-N 3.49Å; L468-K471 WeakPolarHBondContact O-CB 3.35Å; L468-K471 PolarHBondContact O-N 3Å; L468-K471 VanDerWaalsContact O-N 3.13Å
469	M	90.8	Very high	89.9	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-58.9	-41.5	179.7	-175.6	176.7	69.1	0	0	111.3	L414 Y465 L466 K471 A472 M475 A490 N493 L495	L414-M469 HydrophobicContact CD2-CB 4.14Å; L414-M469 HydrophobicContact CD2-CG 4.41Å; Y465-M469 HydrophobicContact CE1-SD 4.49Å; Y465-M469 WeakPolarHBondContact O-CB 3.44Å; Y465-M469 PolarHBondContact O-N 3.16Å; L466-M469 HydrophobicContact CD2-CE 3.7Å; L466-M469 PolarHBondContact O-N 3.48Å; M469-K471 PolarHBondContact O-N 3.47Å; M469-K471 VanDerWaalsContact O-N 3.14Å; M469-A472 PolarHBondContact O-N 3.33Å; M469-M475 HydrophobicContact CG-CE 4.17Å; M469-M475 HydrophobicContact SD-CE 3.96Å; M469-A490 HydrophobicContact SD-CB 4.4Å; M469-N493 HydrophobicContact CE-CB 4.34Å; M469-L495 HydrophobicContact CG-CD1 4.43Å; M469-L495 HydrophobicContact CG-CD2 3.89Å
470	S	87.3	Confident	90.1	Very high	22 Å²	22	35.2 Å²	35.2	15%	0.154	17%	0.172	C	C	.	.	H	α-helix	trans	-61.3	-21	179	77.8	0	0	0	0	114.8	L466 E467 L468	L466-S470 WeakPolarHBondContact O-CB 3.03Å; L466-S470 PolarHBondContact O-N 2.89Å; E467-S470 PolarHBondContact O-N 2.82Å; E467-S470 PolarHBondContact O-OG 2.05Å; L468-S470 VanDerWaalsContact C-N 3.29Å; L468-S470 PolarHBondContact O-N 3.49Å
471	K	89	Confident	90.9	Very high	133 Å²	133	29.7 Å²	29.7	58%	0.578	15%	0.148	S	C	*	.	H	α-helix	trans	-84.8	-25.2	177.3	-66.3	171.9	-174.2	174.5	0	112.4	M412 E467 L468 M469 Q473	M412-K471 HydrophobicContact CE-CB 4.3Å; M412-K471 HydrophobicContact SD-CB 3.88Å; E467-K471 WeakPolarHBondContact O-CG 3.35Å; L468-K471 WeakPolarHBondContact O-CB 3.35Å; L468-K471 PolarHBondContact O-N 3Å; L468-K471 VanDerWaalsContact O-N 3.13Å; M469-K471 PolarHBondContact O-N 3.47Å; M469-K471 VanDerWaalsContact O-N 3.14Å; K471-Q473 PolarHBondContact O-OE1 2.8Å
472	A	92.6	Very high	91.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.			trans	-77.5	155.9	178.8	0	0	0	0	0	111.5	M412 L414 M469 L495	M412-A472 HydrophobicContact CG-CB 4.06Å; M412-A472 WeakPolarHBondContact O-CA 3.19Å; M412-A472 HydrophobicContact SD-CB 4.29Å; L414-A472 HydrophobicContact CB-CB 3.9Å; M469-A472 PolarHBondContact O-N 3.33Å; A472-L495 HydrophobicContact CB-CD2 3.9Å; A472-L495 HydrophobicContact CB-CG 4.49Å; A472-L495 WeakPolarHBondContact O-CD1 3.37Å; A472-L495 WeakPolarHBondContact O-CG 3.41Å
473	Q	93.8	Very high	92.4	Very high	53 Å²	53	27.1 Å²	27.1	25%	0.248	14%	0.135	C	C	.	.	S	Bend	trans	-113.4	-18.7	174.3	-62.9	89	-17.3	0	0	111.8	P411 M412 K471 L495 I496 I561	P411-Q473 HydrophobicContact CB-CB 4.36Å; P411-Q473 HydrophobicContact CB-CG 4.41Å; M412-Q473 PolarHBondContact O-N 2.49Å; M412-Q473 PolarHBondContact O-OE1 2.84Å; M412-Q473 VanDerWaalsContact O-OE1 3.13Å; K471-Q473 PolarHBondContact O-OE1 2.8Å; Q473-L495 CarbonylContact O-C 3.52Å; Q473-L495 VanDerWaalsContact O-CA 3.32Å; Q473-L495 WeakPolarHBondContact O-CA 3.43Å; Q473-I496 PolarHBondContact O-N 3.12Å; Q473-I561 HydrophobicContact CB-CD1 3.68Å; Q473-I561 HydrophobicContact CB-CG1 3.83Å; Q473-I561 HydrophobicContact CG-CD1 4.12Å; Q473-I561 HydrophobicContact CG-CG1 4.31Å
474	I	95.7	Very high	92.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.9	179.9	-56	98.9	0	0	0	109	P411 M412 A413 L414 F437 I476 I496 L498 I557 I561	P411-I474 HydrophobicContact CB-CD1 4.07Å; P411-I474 HydrophobicContact CG-CD1 4.26Å; M412-I474 PolarHBondContact O-N 2.76Å; A413-I474 CarbonylContact C-O 3.58Å; A413-I474 WeakPolarHBondContact CA-O 3.14Å; A413-I474 HydrophobicContact CB-CB 3.88Å; A413-I474 HydrophobicContact CB-CD1 4.46Å; A413-I474 HydrophobicContact CB-CG2 4.34Å; L414-I474 PolarHBondContact N-O 3.14Å; F437-I474 HydrophobicContact CD1-CD1 3.78Å; F437-I474 HydrophobicContact CE1-CD1 3.75Å; F437-I474 HydrophobicContact CE1-CG1 4.42Å; F437-I474 HydrophobicContact CG-CD1 4.29Å; F437-I474 HydrophobicContact CZ-CD1 4.24Å; F437-I474 HydrophobicContact CZ-CG1 4.43Å; I474-I476 HydrophobicContact CG2-CG1 4.21Å; I474-I496 CarbonylContact C-O 3.47Å; I474-I496 WeakPolarHBondContact CA-O 3.04Å; I474-I496 WeakPolarHBondContact CG2-O 3.39Å; I474-L498 HydrophobicContact CG2-CD1 4.27Å; I474-L498 HydrophobicContact CG2-CG 4.05Å; I474-I557 HydrophobicContact CG1-CG2 4.04Å; I474-I561 HydrophobicContact CD1-CD1 3.92Å
475	M	97	Very high	93.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.3	164.1	-174.5	162.2	-68.3	0	0	110	L414 M469 A490 L495 I496 F497 L498	L414-M475 HydrophobicContact CD2-CE 4.28Å; L414-M475 CarbonylContact O-C 3.54Å; L414-M475 VanDerWaalsContact O-CA 3.25Å; L414-M475 WeakPolarHBondContact O-CA 3.28Å; M469-M475 HydrophobicContact CG-CE 4.17Å; M469-M475 HydrophobicContact SD-CE 3.96Å; M475-A490 HydrophobicContact CB-CB 4.02Å; M475-A490 HydrophobicContact CE-CB 3.44Å; M475-A490 VanDerWaalsContact CE-CB 3.44Å; M475-A490 HydrophobicContact CG-CB 4.41Å; M475-A490 HydrophobicContact SD-CB 3.54Å; M475-A490 VanDerWaalsContact SD-CB 3.54Å; M475-L495 HydrophobicContact CB-CD2 4.26Å; M475-L495 HydrophobicContact CE-CD2 4.19Å; M475-I496 PolarHBondContact N-O 3.26Å; M475-F497 HydrophobicContact CB-CD2 4.15Å; M475-F497 HydrophobicContact CG-CD2 4.1Å; M475-F497 HydrophobicContact CG-CE2 4.49Å; M475-F497 WeakPolarHBondContact O-CA 3.26Å; M475-F497 WeakPolarHBondContact O-CD2 3.21Å; M475-L498 PolarHBondContact O-N 3.27Å
476	I	98.4	Very high	93.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112	-176.3	-56.6	173.3	0	0	0	109.7	A413 L414 V415 Y416 Y429 L430 L433 I439 I474 L498	A413-I476 HydrophobicContact CB-CD1 3.61Å; A413-I476 HydrophobicContact CB-CG1 4.01Å; L414-I476 PolarHBondContact O-N 3.15Å; V415-I476 HydrophobicContact CG2-CB 4.25Å; V415-I476 HydrophobicContact CG2-CD1 4.21Å; Y416-I476 PolarHBondContact N-O 3.29Å; Y429-I476 HydrophobicContact CE1-CG2 3.64Å; L430-I476 HydrophobicContact CD2-CD1 4.47Å; L430-I476 HydrophobicContact CD2-CG2 4.12Å; L433-I476 HydrophobicContact CD1-CD1 3.89Å; L433-I476 HydrophobicContact CD1-CG1 4.28Å; L433-I476 HydrophobicContact CD1-CG2 3.89Å; I439-I476 HydrophobicContact CD1-CD1 4.43Å; I439-I476 HydrophobicContact CG1-CD1 4.49Å; I439-I476 HydrophobicContact CG2-CD1 4.33Å; I474-I476 HydrophobicContact CG2-CG1 4.21Å; I476-L498 HydrophobicContact CG1-CD1 4.16Å; I476-L498 HydrophobicContact CG2-CD1 4.49Å
477	G	98.2	Very high	93.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	143.6	170.5	0	0	0	0	0	112.7	Y429 L498 P500	Y429-G477 WeakPolarHBondContact CE1-O 3.43Å; G477-L498 WeakPolarHBondContact CA-O 3.39Å; G477-L498 PolarHBondContact N-O 2.98Å; G477-P500 VanDerWaalsContact O-CG 3.26Å; G477-P500 WeakPolarHBondContact O-CG 3.04Å
478	L	97.6	Very high	93.9	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.021	9%	0.085	C	C	.	.			trans	-107.2	2.1	177.1	-63.2	-174.2	0	0	0	114.1	V415 W423 K426 Y429 L430 F480	V415-L478 HydrophobicContact CG1-CD1 3.53Å; V415-L478 HydrophobicContact CG1-CD2 3.74Å; V415-L478 HydrophobicContact CG1-CG 3.59Å; W423-L478 HydrophobicContact CD2-CD1 3.85Å; W423-L478 HydrophobicContact CE3-CD1 4.39Å; W423-L478 HydrophobicContact CG-CD1 3.92Å; K426-L478 HydrophobicContact CB-CD2 4.23Å; K426-L478 WeakPolarHBondContact CE-O 3.49Å; K426-L478 HydrophobicContact CG-CD2 4.23Å; Y429-L478 HydrophobicContact CE1-CD2 4.48Å; L430-L478 HydrophobicContact CD2-CD2 4.18Å; L478-F480 VanDerWaalsContact C-N 3.34Å
479	G	95.8	Very high	94	Very high	7 Å²	7	16 Å²	16	7%	0.072	8%	0.083	C	C	.	.	S	Bend	trans	92.3	-11	-174.9	0	0	0	0	0	113.6	Y482 F502	G479-Y482 WeakPolarHBondContact O-CE1 2.98Å; G479-F502 WeakPolarHBondContact O-CZ 3.01Å
480	F	94.1	Very high	94.2	Very high	39 Å²	39	15.9 Å²	15.9	17%	0.171	8%	0.083	C	C	.	.			trans	-150	142.9	173	-170.5	-92.4	0	0	0	109.6	Y421 M422 L478 Y482 F513	Y421-F480 HydrophobicContact CE2-CD1 4.17Å; Y421-F480 HydrophobicContact CE2-CE1 4.22Å; Y421-F480 WeakPolarHBondContact OH-CE1 3.4Å; M422-F480 HydrophobicContact CE-CD1 3.97Å; M422-F480 HydrophobicContact CE-CE1 3.93Å; M422-F480 HydrophobicContact CG-CD1 4.08Å; M422-F480 HydrophobicContact SD-CD1 4.24Å; L478-F480 VanDerWaalsContact C-N 3.34Å; F480-Y482 AromaticContact CD2-CD2 3.62Å; F480-Y482 HydrophobicContact CD2-CD2 3.62Å; F480-Y482 AromaticContact CD2-CE2 3.43Å; F480-Y482 HydrophobicContact CD2-CE2 3.43Å; F480-Y482 VanDerWaalsContact CD2-CE2 3.43Å; F480-Y482 HydrophobicContact CD2-CG 4.26Å; F480-Y482 AromaticContact CD2-CZ 3.91Å; F480-Y482 AromaticContact CE2-CD2 3.67Å; F480-Y482 HydrophobicContact CE2-CD2 3.67Å; F480-Y482 AromaticContact CE2-CE2 3.71Å; F480-Y482 HydrophobicContact CE2-CE2 3.71Å; F480-F513 AromaticContact CE2-CD2 3.86Å; F480-F513 HydrophobicContact CE2-CD2 3.86Å; F480-F513 AromaticContact CE2-CE2 3.92Å; F480-F513 HydrophobicContact CE2-CE2 3.92Å; F480-F513 HydrophobicContact CE2-CG 4.19Å; F480-F513 HydrophobicContact CE2-CZ 4.29Å; F480-F513 HydrophobicContact CZ-CD2 4.18Å; F480-F513 HydrophobicContact CZ-CE2 4Å
481	P	93.3	Very high	94.5	Very high	20 Å²	20	14.9 Å²	14.9	13%	0.13	8%	0.076	C	C	.	.	S	Bend	cis	-75.4	156.3	3.4	33.9	-38.6	0	0	0	114	Y416 Q526	Y416-P481 HydrophobicContact CE1-CG 3.89Å; Y416-P481 HydrophobicContact CE2-CG 3.91Å; Y416-P481 WeakPolarHBondContact OH-CG 3.46Å; P481-Q526 WeakPolarHBondContact O-CG 3.31Å; P481-Q526 PolarHBondContact O-NE2 3.5Å
482	Y	94.4	Very high	94.7	Very high	12 Å²	12	8.7 Å²	8.7	5%	0.047	5%	0.049	C	C	.	.	S	Bend	trans	-82	139.6	178.6	-56.3	-62.3	0	0	0	111.2	G479 F480 G484 F502 H506 H511 F513 F514 L523	G479-Y482 WeakPolarHBondContact O-CE1 2.98Å; F480-Y482 AromaticContact CD2-CD2 3.62Å; F480-Y482 HydrophobicContact CD2-CD2 3.62Å; F480-Y482 AromaticContact CD2-CE2 3.43Å; F480-Y482 HydrophobicContact CD2-CE2 3.43Å; F480-Y482 VanDerWaalsContact CD2-CE2 3.43Å; F480-Y482 HydrophobicContact CD2-CG 4.26Å; F480-Y482 AromaticContact CD2-CZ 3.91Å; F480-Y482 AromaticContact CE2-CD2 3.67Å; F480-Y482 HydrophobicContact CE2-CD2 3.67Å; F480-Y482 AromaticContact CE2-CE2 3.71Å; F480-Y482 HydrophobicContact CE2-CE2 3.71Å; Y482-G484 VanDerWaalsContact C-N 3.26Å; Y482-G484 PolarHBondContact O-N 2.95Å; Y482-G484 VanDerWaalsContact O-N 3.1Å; Y482-F502 AromaticContact CD1-CE2 3.81Å; Y482-F502 HydrophobicContact CD1-CE2 3.81Å; Y482-F502 HydrophobicContact CD1-CZ 4.11Å; Y482-F502 AromaticContact CE1-CE2 3.51Å; Y482-F502 HydrophobicContact CE1-CE2 3.51Å; Y482-F502 AromaticContact CE1-CZ 3.64Å; Y482-F502 HydrophobicContact CE1-CZ 3.64Å; Y482-H506 AromaticContact CE1-ND1 3.59Å; Y482-H506 AromaticContact CZ-ND1 3.62Å; Y482-H506 PolarHBondContact OH-ND1 3.41Å; Y482-H511 PolarHBondContact OH-CD2 2.73Å; Y482-H511 PolarHBondContact OH-CE1 3.08Å; Y482-H511 VanDerWaalsContact OH-CE1 3.29Å; Y482-H511 PolarHBondContact OH-NE2 3.46Å; Y482-F513 AromaticContact CD2-CD1 3.51Å; Y482-F513 HydrophobicContact CD2-CD1 3.51Å; Y482-F513 AromaticContact CD2-CE1 3.67Å; Y482-F513 HydrophobicContact CD2-CE1 3.67Å; Y482-F513 HydrophobicContact CD2-CG 4.18Å; Y482-F513 HydrophobicContact CD2-CZ 4.47Å; Y482-F513 HydrophobicContact CE2-CB 4.13Å; Y482-F513 AromaticContact CE2-CD1 3.69Å; Y482-F513 HydrophobicContact CE2-CD1 3.69Å; Y482-F513 HydrophobicContact CE2-CE1 4.31Å; Y482-F513 HydrophobicContact CE2-CG 4Å; Y482-F514 AromaticContact CD2-CE2 3.63Å; Y482-F514 HydrophobicContact CD2-CE2 3.63Å; Y482-F514 AromaticContact CD2-CZ 3.62Å; Y482-F514 HydrophobicContact CD2-CZ 3.62Å; Y482-F514 HydrophobicContact CE2-CD2 4.45Å; Y482-F514 AromaticContact CE2-CE2 3.58Å; Y482-F514 HydrophobicContact CE2-CE2 3.58Å; Y482-F514 HydrophobicContact CE2-CZ 4.08Å; Y482-F514 HydrophobicContact CG-CE2 4.15Å; Y482-F514 AromaticContact CG-CZ 3.93Å; Y482-F514 HydrophobicContact CG-CZ 3.93Å; Y482-L523 HydrophobicContact CD1-CD2 4.06Å; Y482-L523 HydrophobicContact CG-CD2 4.09Å
483	E	94.2	Very high	94.7	Very high	5 Å²	5	8.8 Å²	8.8	2%	0.023	5%	0.05	C	C	.	.	S	Bend	trans	44.8	48.9	169.3	-63.4	-178.2	132.3	0	0	113.1	F382 H384 R521 L523 Q526	F382-E483 HydrophobicContact CD2-CB 4.04Å; F382-E483 HydrophobicContact CE2-CB 3.98Å; F382-E483 VanDerWaalsContact CE2-O 3.28Å; F382-E483 WeakPolarHBondContact CE2-O 3.37Å; H384-E483 IonicContact CD2-OE1 3.25Å; H384-E483 IonicContact CD2-OE2 3.37Å; E483-R521 IonicContact OE1-CZ 3.78Å; E483-R521 IonicContact OE1-NH1 3.42Å; E483-R521 PolarHBondContact OE1-NH1 3.12Å; E483-R521 IonicContact OE1-NH2 3.72Å; E483-R521 IonicContact OE2-CZ 3.36Å; E483-R521 IonicContact OE2-NH1 2.9Å; E483-R521 PolarHBondContact OE2-NH1 2.87Å; E483-R521 VanDerWaalsContact OE2-NH1 3.14Å; E483-R521 IonicContact OE2-NH2 3.84Å; E483-R521 PolarHBondContact OE2-NH2 3.41Å; E483-L523 HydrophobicContact CG-CD2 4.1Å; E483-Q526 PolarHBondContact N-O 3.39Å
484	G	92.6	Very high	94.5	Very high	8 Å²	8	6.9 Å²	6.9	8%	0.082	4%	0.044	C	C	.	.			trans	-94	167.3	175	0	0	0	0	0	112.4	Y482 P487 H527	Y482-G484 VanDerWaalsContact C-N 3.26Å; Y482-G484 PolarHBondContact O-N 2.95Å; Y482-G484 VanDerWaalsContact O-N 3.1Å; G484-P487 WeakPolarHBondContact O-CD 3.03Å; G484-H527 PolarHBondContact O-NE2 2.93Å
485	P	93.7	Very high	94.5	Very high	16 Å²	16	7 Å²	7	10%	0.104	5%	0.045	C	C	.	.	S	Bend	trans	-73.7	-29.1	-177.1	29.8	-35.1	0	0	0	113.7	F381 F393 L488 E489	F381-P485 HydrophobicContact CZ-CB 4.43Å; F381-P485 HydrophobicContact CZ-CG 4.37Å; F393-P485 HydrophobicContact CD2-CB 4.17Å; F393-P485 HydrophobicContact CE2-CB 3.45Å; F393-P485 VanDerWaalsContact CE2-CB 3.45Å; F393-P485 HydrophobicContact CZ-CB 3.66Å; P485-L488 PolarHBondContact O-N 3.36Å; P485-E489 PolarHBondContact O-N 3.08Å
486	A	92.8	Very high	94.4	Very high	10 Å²	10	7.2 Å²	7.2	8%	0.083	5%	0.046	C	C	.	.	H	α-helix	trans	-58.4	-40.8	-169	0	0	0	0	0	114.7	Y416 L488 E489 A490	Y416-A486 HydrophobicContact CD2-CB 4.13Å; Y416-A486 HydrophobicContact CE2-CB 3.63Å; A486-L488 VanDerWaalsContact C-N 3.34Å; A486-L488 PolarHBondContact O-N 3.03Å; A486-E489 PolarHBondContact O-N 3.48Å; A486-A490 WeakPolarHBondContact O-CB 3.39Å; A486-A490 PolarHBondContact O-N 3.2Å
487	P	95.4	Very high	94.3	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.006	5%	0.046	C	C	.	.	H	α-helix	trans	-61.2	-37.2	174.4	-28.8	39.7	0	0	0	114	Y416 G484 A490 I491 F497 I530	Y416-P487 HydrophobicContact CD1-CG 3.71Å; Y416-P487 HydrophobicContact CE1-CG 3.49Å; Y416-P487 VanDerWaalsContact CE1-CG 3.49Å; G484-P487 WeakPolarHBondContact O-CD 3.03Å; P487-A490 PolarHBondContact O-N 3.15Å; P487-I491 VanDerWaalsContact O-CG1 3.3Å; P487-I491 WeakPolarHBondContact O-CG1 3.1Å; P487-I491 PolarHBondContact O-N 2.04Å; P487-I491 VanDerWaalsContact O-N 3.12Å; P487-F497 HydrophobicContact CB-CD1 3.86Å; P487-F497 HydrophobicContact CB-CD2 3.96Å; P487-F497 HydrophobicContact CB-CE1 3.82Å; P487-F497 HydrophobicContact CB-CE2 3.95Å; P487-F497 HydrophobicContact CB-CG 3.93Å; P487-F497 HydrophobicContact CB-CZ 3.88Å; P487-F497 HydrophobicContact CG-CD2 4.35Å; P487-F497 HydrophobicContact CG-CE1 4.16Å; P487-F497 HydrophobicContact CG-CE2 3.87Å; P487-F497 HydrophobicContact CG-CZ 3.77Å; P487-I530 HydrophobicContact CB-CD1 3.49Å; P487-I530 VanDerWaalsContact CB-CD1 3.49Å
488	L	94.6	Very high	94.3	Very high	3 Å²	3	7.3 Å²	7.3	2%	0.016	5%	0.046	C	C	.	.	H	α-helix	trans	-70.8	-40.5	174.6	-78.4	-170.8	0	0	0	112.1	F382 F393 T395 P485 A486 A490 I491 A492 Y529 I530 I534 F571	F382-L488 HydrophobicContact CE1-CD1 3.58Å; F382-L488 HydrophobicContact CE1-CG 4.42Å; F382-L488 HydrophobicContact CZ-CD1 4.24Å; F393-L488 HydrophobicContact CZ-CD1 4.19Å; T395-L488 HydrophobicContact CG2-CB 3.57Å; T395-L488 HydrophobicContact CG2-CD1 4.09Å; T395-L488 HydrophobicContact CG2-CG 4.49Å; P485-L488 PolarHBondContact O-N 3.36Å; A486-L488 VanDerWaalsContact C-N 3.34Å; A486-L488 PolarHBondContact O-N 3.03Å; L488-A490 VanDerWaalsContact C-N 3.29Å; L488-A490 PolarHBondContact O-N 3.23Å; L488-I491 PolarHBondContact O-N 3.45Å; L488-A492 WeakPolarHBondContact O-CB 3.47Å; L488-A492 PolarHBondContact O-N 3.19Å; L488-Y529 HydrophobicContact CD1-CD1 4.31Å; L488-Y529 HydrophobicContact CD1-CE1 4.21Å; L488-Y529 HydrophobicContact CD2-CD1 4.23Å; L488-Y529 HydrophobicContact CD2-CE1 4.1Å; L488-I530 HydrophobicContact CD2-CD1 3.86Å; L488-I530 HydrophobicContact CD2-CG1 3.58Å; L488-I530 HydrophobicContact CG-CD1 4.16Å; L488-I530 HydrophobicContact CG-CG1 4.22Å; L488-I534 HydrophobicContact CD2-CD1 3.33Å; L488-F571 HydrophobicContact CD1-CD1 3.94Å; L488-F571 HydrophobicContact CD1-CD2 3.99Å; L488-F571 HydrophobicContact CD1-CE1 3.94Å; L488-F571 HydrophobicContact CD1-CE2 4.01Å; L488-F571 HydrophobicContact CD1-CG 3.99Å; L488-F571 HydrophobicContact CD1-CZ 3.99Å
489	E	93.2	Very high	94.3	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-61	-40	174	-67.6	-179.3	154	0	0	111	R187 Y461 P485 A486 A492 N493	R187-E489 IonicContact NH1-OE1 3.67Å; R187-E489 PolarHBondContact NH1-OE1 3.37Å; Y461-E489 PolarHBondContact OH-OE2 3.14Å; P485-E489 PolarHBondContact O-N 3.08Å; A486-E489 PolarHBondContact O-N 3.48Å; E489-A492 PolarHBondContact O-N 2.71Å; E489-N493 PolarHBondContact O-N 3.15Å; E489-N493 PolarHBondContact O-ND2 2.97Å
490	A	94.1	Very high	94.5	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-59.9	-48.9	175	0	0	0	0	0	111.9	M469 M475 A486 P487 L488 A492 N493 G494 L495	M469-A490 HydrophobicContact SD-CB 4.4Å; M475-A490 HydrophobicContact CB-CB 4.02Å; M475-A490 HydrophobicContact CE-CB 3.44Å; M475-A490 VanDerWaalsContact CE-CB 3.44Å; M475-A490 HydrophobicContact CG-CB 4.41Å; M475-A490 HydrophobicContact SD-CB 3.54Å; M475-A490 VanDerWaalsContact SD-CB 3.54Å; A486-A490 WeakPolarHBondContact O-CB 3.39Å; A486-A490 PolarHBondContact O-N 3.2Å; P487-A490 PolarHBondContact O-N 3.15Å; L488-A490 VanDerWaalsContact C-N 3.29Å; L488-A490 PolarHBondContact O-N 3.23Å; A490-A492 VanDerWaalsContact C-N 3.34Å; A490-A492 PolarHBondContact O-N 3.18Å; A490-N493 CarbonylContact O-C 3.54Å; A490-N493 PolarHBondContact O-N 3.12Å; A490-N493 VanDerWaalsContact O-N 3.1Å; A490-G494 PolarHBondContact O-N 2.67Å; A490-G494 VanDerWaalsContact O-N 3.12Å; A490-L495 HydrophobicContact CB-CB 4.02Å; A490-L495 HydrophobicContact CB-CD2 4.14Å; A490-L495 WeakPolarHBondContact O-CB 3.49Å; A490-L495 PolarHBondContact O-N 3.21Å
491	I	94.4	Very high	94.6	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-63.1	-40.5	177.7	-65.8	166.5	0	0	0	111.2	P487 L488 N493 G494 L495 F497 I530 I534 Y538 Y566	P487-I491 VanDerWaalsContact O-CG1 3.3Å; P487-I491 WeakPolarHBondContact O-CG1 3.1Å; P487-I491 PolarHBondContact O-N 2.04Å; P487-I491 VanDerWaalsContact O-N 3.12Å; L488-I491 PolarHBondContact O-N 3.45Å; I491-N493 PolarHBondContact O-N 2.78Å; I491-G494 PolarHBondContact O-N 3.4Å; I491-L495 WeakPolarHBondContact CA-O 3.48Å; I491-F497 HydrophobicContact CD1-CB 4.03Å; I491-F497 HydrophobicContact CG1-CB 4.12Å; I491-I530 HydrophobicContact CD1-CD1 3.86Å; I491-I530 HydrophobicContact CD1-CG1 4.26Å; I491-I530 HydrophobicContact CD1-CG2 3.89Å; I491-I534 HydrophobicContact CD1-CD1 4.39Å; I491-I534 HydrophobicContact CD1-CG2 4.41Å; I491-I534 HydrophobicContact CG2-CG2 4.47Å; I491-Y538 HydrophobicContact CG2-CD1 4.24Å; I491-Y538 HydrophobicContact CG2-CG 4.2Å; I491-Y566 CarbonylContact C-O 3.59Å; I491-Y566 WeakPolarHBondContact CG2-O 3.32Å; I491-Y566 PolarHBondContact O-N 3.33Å
492	A	92.8	Very high	94.8	Very high	2 Å²	2	10 Å²	10	2%	0.017	5%	0.051	C	C	.	.	H	α-helix	trans	-63.8	-27	175.3	0	0	0	0	0	112.9	I397 L488 E489 A490 S565 Y566 R567	I397-A492 HydrophobicContact CG1-CB 4.14Å; L488-A492 WeakPolarHBondContact O-CB 3.47Å; L488-A492 PolarHBondContact O-N 3.19Å; E489-A492 PolarHBondContact O-N 2.71Å; A490-A492 VanDerWaalsContact C-N 3.34Å; A490-A492 PolarHBondContact O-N 3.18Å; A492-S565 WeakPolarHBondContact O-CB 3.07Å; A492-Y566 VanDerWaalsContact CA-O 3.3Å; A492-Y566 WeakPolarHBondContact CA-O 3.3Å; A492-Y566 PolarHBondContact N-O 3Å; A492-R567 HydrophobicContact CB-CB 4.13Å
493	N	91.5	Very high	94.8	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.011	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	10.3	173.3	-71	-84.8	0	0	0	113.2	E396 F398 F400 M469 E489 A490 I491 L495	E396-N493 PolarHBondContact O-ND2 2.71Å; F398-N493 PolarHBondContact N-OD1 2.8Å; F400-N493 WeakPolarHBondContact CZ-O 3.42Å; M469-N493 HydrophobicContact CE-CB 4.34Å; E489-N493 PolarHBondContact O-N 3.15Å; E489-N493 PolarHBondContact O-ND2 2.97Å; A490-N493 CarbonylContact O-C 3.54Å; A490-N493 PolarHBondContact O-N 3.12Å; A490-N493 VanDerWaalsContact O-N 3.1Å; I491-N493 PolarHBondContact O-N 2.78Å; N493-L495 HydrophobicContact CB-CD1 4.3Å
494	G	91.4	Very high	94.8	Very high	13 Å²	13	20.3 Å²	20.3	13%	0.134	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	25.9	172.9	0	0	0	0	0	115	A490 I491	A490-G494 PolarHBondContact O-N 2.67Å; A490-G494 VanDerWaalsContact O-N 3.12Å; I491-G494 PolarHBondContact O-N 3.4Å
495	L	94.1	Very high	94.9	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-93.4	146.5	168.6	-73.5	66.3	0	0	0	109.9	M469 A472 Q473 M475 A490 I491 N493	M469-L495 HydrophobicContact CG-CD1 4.43Å; M469-L495 HydrophobicContact CG-CD2 3.89Å; A472-L495 HydrophobicContact CB-CD2 3.9Å; A472-L495 HydrophobicContact CB-CG 4.49Å; A472-L495 WeakPolarHBondContact O-CD1 3.37Å; A472-L495 WeakPolarHBondContact O-CG 3.41Å; Q473-L495 CarbonylContact O-C 3.52Å; Q473-L495 VanDerWaalsContact O-CA 3.32Å; Q473-L495 WeakPolarHBondContact O-CA 3.43Å; M475-L495 HydrophobicContact CB-CD2 4.26Å; M475-L495 HydrophobicContact CE-CD2 4.19Å; A490-L495 HydrophobicContact CB-CB 4.02Å; A490-L495 HydrophobicContact CB-CD2 4.14Å; A490-L495 WeakPolarHBondContact O-CB 3.49Å; A490-L495 PolarHBondContact O-N 3.21Å; I491-L495 WeakPolarHBondContact CA-O 3.48Å; N493-L495 HydrophobicContact CB-CD1 4.3Å
496	I	95.5	Very high	95	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	129.5	169.6	-66.5	170.7	0	0	0	109.3	Q473 I474 M475 Y538 Y540 I557	Q473-I496 PolarHBondContact O-N 3.12Å; I474-I496 CarbonylContact C-O 3.47Å; I474-I496 WeakPolarHBondContact CA-O 3.04Å; I474-I496 WeakPolarHBondContact CG2-O 3.39Å; M475-I496 PolarHBondContact N-O 3.26Å; I496-Y538 CarbonylContact C-O 3.59Å; I496-Y538 WeakPolarHBondContact CA-O 3.38Å; I496-Y540 HydrophobicContact CD1-CE2 4.49Å; I496-Y540 HydrophobicContact CG2-CD2 3.47Å; I496-Y540 VanDerWaalsContact CG2-CD2 3.47Å; I496-Y540 HydrophobicContact CG2-CE2 3.7Å; I496-I557 HydrophobicContact CD1-CG2 3.98Å; I496-I557 HydrophobicContact CG2-CD1 4.18Å; I496-I557 HydrophobicContact CG2-CG1 4.33Å
497	F	97.1	Very high	95.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	119	177.3	-179.9	-125.8	0	0	0	112.4	Y416 M475 P487 I491 N499 H527 I530 Y538 S539 Y540	Y416-F497 HydrophobicContact CD1-CE2 4.47Å; M475-F497 HydrophobicContact CB-CD2 4.15Å; M475-F497 HydrophobicContact CG-CD2 4.1Å; M475-F497 HydrophobicContact CG-CE2 4.49Å; M475-F497 WeakPolarHBondContact O-CA 3.26Å; M475-F497 WeakPolarHBondContact O-CD2 3.21Å; P487-F497 HydrophobicContact CB-CD1 3.86Å; P487-F497 HydrophobicContact CB-CD2 3.96Å; P487-F497 HydrophobicContact CB-CE1 3.82Å; P487-F497 HydrophobicContact CB-CE2 3.95Å; P487-F497 HydrophobicContact CB-CG 3.93Å; P487-F497 HydrophobicContact CB-CZ 3.88Å; P487-F497 HydrophobicContact CG-CD2 4.35Å; P487-F497 HydrophobicContact CG-CE1 4.16Å; P487-F497 HydrophobicContact CG-CE2 3.87Å; P487-F497 HydrophobicContact CG-CZ 3.77Å; I491-F497 HydrophobicContact CD1-CB 4.03Å; I491-F497 HydrophobicContact CG1-CB 4.12Å; F497-N499 HydrophobicContact CD1-CB 3.69Å; F497-N499 HydrophobicContact CE1-CB 3.46Å; F497-N499 VanDerWaalsContact CE1-CB 3.46Å; F497-N499 HydrophobicContact CZ-CB 4.3Å; F497-N499 PolarHBondContact O-N 2.72Å; F497-H527 HydrophobicContact CE1-CB 4.07Å; F497-I530 HydrophobicContact CD1-CD1 3.97Å; F497-I530 HydrophobicContact CD1-CG2 4.25Å; F497-I530 HydrophobicContact CE1-CD1 4.32Å; F497-Y538 PolarHBondContact N-O 2.8Å; F497-S539 CarbonylContact O-C 3.53Å; F497-S539 WeakPolarHBondContact O-CA 3.4Å; F497-S539 WeakPolarHBondContact O-CB 3.33Å; F497-S539 PolarHBondContact O-OG 2.84Å; F497-Y540 PolarHBondContact O-N 3.3Å
498	L	98	Very high	95	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	107.5	165.2	-63.8	-175.9	0	0	0	108.8	L433 I474 M475 I476 G477 P500 I542 T553 I557	L433-L498 HydrophobicContact CD1-CD1 3.77Å; L433-L498 HydrophobicContact CD2-CD1 4.03Å; I474-L498 HydrophobicContact CG2-CD1 4.27Å; I474-L498 HydrophobicContact CG2-CG 4.05Å; M475-L498 PolarHBondContact O-N 3.27Å; I476-L498 HydrophobicContact CG1-CD1 4.16Å; I476-L498 HydrophobicContact CG2-CD1 4.49Å; G477-L498 WeakPolarHBondContact CA-O 3.39Å; G477-L498 PolarHBondContact N-O 2.98Å; L498-P500 WeakPolarHBondContact O-CD 3.33Å; L498-I542 HydrophobicContact CB-CG2 4.36Å; L498-I542 HydrophobicContact CD1-CD1 4.31Å; L498-I542 HydrophobicContact CD2-CD1 4.37Å; L498-T553 HydrophobicContact CD2-CG2 4.25Å; L498-I557 HydrophobicContact CD2-CD1 3.29Å; L498-I557 HydrophobicContact CG-CD1 4.36Å
499	N	98.2	Very high	94.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	108.7	-175.4	-176.1	15.5	0	0	0	110.3	F497 R501 S525 Q526 H527 Y540 L541 I542	F497-N499 HydrophobicContact CD1-CB 3.69Å; F497-N499 HydrophobicContact CE1-CB 3.46Å; F497-N499 VanDerWaalsContact CE1-CB 3.46Å; F497-N499 HydrophobicContact CZ-CB 4.3Å; F497-N499 PolarHBondContact O-N 2.72Å; N499-R501 PolarHBondContact O-N 3.24Å; N499-S525 WeakPolarHBondContact ND2-CB 3.48Å; N499-S525 PolarHBondContact ND2-OG 3.45Å; N499-Q526 WeakPolarHBondContact OD1-CB 3.46Å; N499-Q526 PolarHBondContact OD1-N 3.04Å; N499-H527 PolarHBondContact ND2-O 3.29Å; N499-H527 PolarHBondContact OD1-N 3.47Å; N499-Y540 PolarHBondContact N-O 2.9Å; N499-L541 CarbonylContact O-C 3.44Å; N499-L541 WeakPolarHBondContact O-CA 3.03Å; N499-L541 WeakPolarHBondContact O-CD1 3.28Å; N499-I542 PolarHBondContact O-N 3.36Å
500	P	98.2	Very high	94.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	129.8	179.5	-29.2	40.1	0	0	0	112.9	G477 L498 F502 S525 Q526 I542 M544	G477-P500 VanDerWaalsContact O-CG 3.26Å; G477-P500 WeakPolarHBondContact O-CG 3.04Å; L498-P500 WeakPolarHBondContact O-CD 3.33Å; P500-F502 HydrophobicContact CB-CE1 4.29Å; P500-S525 CarbonylContact O-C 3.37Å; P500-S525 WeakPolarHBondContact O-CA 3.39Å; P500-S525 VanDerWaalsContact O-CB 3.22Å; P500-S525 WeakPolarHBondContact O-CB 3.44Å; P500-Q526 HydrophobicContact CB-CB 4.48Å; P500-Q526 HydrophobicContact CG-CB 4.46Å; P500-Q526 PolarHBondContact O-N 2.9Å; P500-I542 CarbonylContact C-O 3.49Å; P500-I542 VanDerWaalsContact CA-O 3.31Å; P500-I542 WeakPolarHBondContact CA-O 3.44Å; P500-I542 HydrophobicContact CG-CG2 4.35Å; P500-M544 HydrophobicContact CB-CE 3.8Å; P500-M544 HydrophobicContact CB-CG 4.09Å; P500-M544 HydrophobicContact CB-SD 3.88Å; P500-M544 HydrophobicContact CG-CE 4.34Å; P500-M544 HydrophobicContact CG-CG 4.3Å; P500-M544 HydrophobicContact CG-SD 3.85Å
501	R	97.8	Very high	94.5	Very high	112 Å²	112	37.1 Å²	37.1	42%	0.423	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	143.9	173.8	-173.3	-179.2	-74.8	-176.5	-4.2	110.5	N499 L541 I542	N499-R501 PolarHBondContact O-N 3.24Å; R501-L541 HydrophobicContact CB-CD1 3.65Å; R501-L541 HydrophobicContact CB-CG 3.95Å; R501-L541 HydrophobicContact CG-CD1 4.19Å; R501-L541 HydrophobicContact CG-CD2 4.46Å; R501-L541 HydrophobicContact CG-CG 4.33Å; R501-L541 VanDerWaalsContact NE-CD2 3.27Å; R501-L541 VanDerWaalsContact NH2-CD2 3.25Å; R501-I542 PolarHBondContact N-O 2.97Å
502	F	96.7	Very high	94.4	Very high	13 Å²	13	42.4 Å²	42.4	6%	0.057	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.3	170.8	-53.8	-36.7	0	0	0	109.8	G479 Y482 P500 P504 H506 L523 T524 S525 Q526	G479-F502 WeakPolarHBondContact O-CZ 3.01Å; Y482-F502 AromaticContact CD1-CE2 3.81Å; Y482-F502 HydrophobicContact CD1-CE2 3.81Å; Y482-F502 HydrophobicContact CD1-CZ 4.11Å; Y482-F502 AromaticContact CE1-CE2 3.51Å; Y482-F502 HydrophobicContact CE1-CE2 3.51Å; Y482-F502 AromaticContact CE1-CZ 3.64Å; Y482-F502 HydrophobicContact CE1-CZ 3.64Å; P500-F502 HydrophobicContact CB-CE1 4.29Å; F502-P504 CarbonylContact C-O 3.52Å; F502-P504 VanDerWaalsContact C-O 3.28Å; F502-P504 CarbonylContact O-C 3.2Å; F502-H506 AromaticContact CD1-CE1 3.5Å; F502-H506 AromaticContact CD1-ND1 3.93Å; F502-H506 AromaticContact CD1-NE2 3.75Å; F502-H506 HydrophobicContact CD2-CB 4.09Å; F502-H506 AromaticContact CD2-CG 3.74Å; F502-H506 AromaticContact CD2-ND1 3.64Å; F502-H506 AromaticContact CE1-CE1 3.72Å; F502-H506 AromaticContact CE2-ND1 3.73Å; F502-H506 AromaticContact CG-CD2 3.84Å; F502-H506 AromaticContact CG-CE1 3.71Å; F502-H506 AromaticContact CG-CG 3.83Å; F502-H506 AromaticContact CG-ND1 3.76Å; F502-H506 AromaticContact CG-NE2 3.79Å; F502-H506 AromaticContact CZ-ND1 3.96Å; F502-L523 HydrophobicContact CD2-CB 4.37Å; F502-L523 WeakPolarHBondContact CD2-O 3.43Å; F502-T524 PolarHBondContact N-O 3.07Å; F502-S525 VanDerWaalsContact CD2-C 3.4Å; F502-S525 WeakPolarHBondContact CD2-O 3.22Å; F502-S525 WeakPolarHBondContact CE2-O 3.21Å; F502-Q526 HydrophobicContact CE2-CB 4.4Å; F502-Q526 HydrophobicContact CZ-CB 3.9Å
503	N	93.6	Very high	94.2	Very high	143 Å²	143	44.5 Å²	44.5	77%	0.765	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	106	173.4	-173.1	18.7	0	0	0	109
504	P	94.2	Very high	94.3	Very high	92 Å²	92	44.6 Å²	44.6	60%	0.597	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	cis	-70.8	162.7	3.5	31.4	-36.8	0	0	0	113.3	F502	F502-P504 CarbonylContact C-O 3.52Å; F502-P504 VanDerWaalsContact C-O 3.28Å; F502-P504 CarbonylContact O-C 3.2Å
505	P	95.6	Very high	94.3	Very high	55 Å²	55	46.4 Å²	46.4	36%	0.357	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	144.6	174.4	-27.4	36.2	0	0	0	113.6	S510 L523 T524	P505-S510 PolarHBondContact O-OG 3.3Å; P505-L523 CarbonylContact C-O 3.56Å; P505-L523 WeakPolarHBondContact CA-O 3.5Å; P505-L523 WeakPolarHBondContact CB-O 3.47Å; P505-T524 HydrophobicContact CG-CG2 4.32Å
506	H	96	Very high	94.1	Very high	44 Å²	44	48.5 Å²	48.5	20%	0.204	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	123.2	175.5	-70.4	-177.2	0	0	0	110.5	Y482 F502 S510 H511 F514 G522 L523	Y482-H506 AromaticContact CE1-ND1 3.59Å; Y482-H506 AromaticContact CZ-ND1 3.62Å; Y482-H506 PolarHBondContact OH-ND1 3.41Å; F502-H506 AromaticContact CD1-CE1 3.5Å; F502-H506 AromaticContact CD1-ND1 3.93Å; F502-H506 AromaticContact CD1-NE2 3.75Å; F502-H506 HydrophobicContact CD2-CB 4.09Å; F502-H506 AromaticContact CD2-CG 3.74Å; F502-H506 AromaticContact CD2-ND1 3.64Å; F502-H506 AromaticContact CE1-CE1 3.72Å; F502-H506 AromaticContact CE2-ND1 3.73Å; F502-H506 AromaticContact CG-CD2 3.84Å; F502-H506 AromaticContact CG-CE1 3.71Å; F502-H506 AromaticContact CG-CG 3.83Å; F502-H506 AromaticContact CG-ND1 3.76Å; F502-H506 AromaticContact CG-NE2 3.79Å; F502-H506 AromaticContact CZ-ND1 3.96Å; H506-S510 WeakPolarHBondContact CA-OG 3.28Å; H506-H511 HydrophobicContact CB-CB 4.27Å; H506-H511 AromaticContact CE1-CD2 3.97Å; H506-H511 AromaticContact ND1-CD2 3.81Å; H506-F514 HydrophobicContact CB-CE2 4.3Å; H506-G522 CarbonylContact O-C 3.56Å; H506-G522 WeakPolarHBondContact O-CA 3.37Å; H506-L523 PolarHBondContact N-O 3.16Å; H506-L523 PolarHBondContact O-N 3.27Å
507	S	94.1	Very high	93.9	Very high	16 Å²	16	50 Å²	50	11%	0.112	28%	0.282	C	S	.	.			trans	-146.3	-176.3	-176.5	70.4	0	0	0	0	110.8	S509 S510 H511	S507-S509 PolarHBondContact O-N 3.4Å; S507-S509 PolarHBondContact OG-N 3.47Å; S507-S509 PolarHBondContact OG-OG 2.67Å; S507-S509 VanDerWaalsContact OG-OG 3.09Å; S507-S510 PolarHBondContact N-OG 2.93Å; S507-S510 PolarHBondContact O-N 3.25Å; S507-S510 PolarHBondContact OG-OG 3.47Å; S507-H511 PolarHBondContact O-N 3.11Å
508	R	92.9	Very high	93.8	Very high	48 Å²	48	50.1 Å²	50.1	18%	0.181	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-35	175.1	-56.2	-163.2	62.1	158.4	-16.8	113.4	Y361 E366 F514 A515 K517 T519	Y361-R508 WeakPolarHBondContact OH-CD 3.44Å; E366-R508 IonicContact OE1-NH2 2.98Å; E366-R508 IonicContact OE2-CZ 3.5Å; E366-R508 IonicContact OE2-NH1 3.2Å; E366-R508 PolarHBondContact OE2-NH1 3.37Å; E366-R508 IonicContact OE2-NH2 3.08Å; E366-R508 PolarHBondContact OE2-NH2 2.97Å; R508-F514 HydrophobicContact CG-CB 4.46Å; R508-F514 VanDerWaalsContact CG-O 3.26Å; R508-F514 WeakPolarHBondContact CG-O 3.32Å; R508-A515 VanDerWaalsContact CZ-O 3.29Å; R508-A515 PolarHBondContact NE-O 3.38Å; R508-A515 VanDerWaalsContact NE-O 3.15Å; R508-A515 PolarHBondContact NH2-O 3.4Å; R508-K517 WeakPolarHBondContact CD-O 3.16Å; R508-K517 PolarHBondContact NE-O 2.85Å; R508-K517 PolarHBondContact NH1-O 3.49Å; R508-T519 WeakPolarHBondContact CD-O 3.49Å; R508-T519 WeakPolarHBondContact CG-O 3.27Å
509	S	89.9	Confident	93.5	Very high	116 Å²	116	50.2 Å²	50.2	81%	0.811	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-23.2	-175.9	60.6	0	0	0	0	113.4	S507	S507-S509 PolarHBondContact O-N 3.4Å; S507-S509 PolarHBondContact OG-N 3.47Å; S507-S509 PolarHBondContact OG-OG 2.67Å; S507-S509 VanDerWaalsContact OG-OG 3.09Å
510	S	91.4	Very high	93.2	Very high	60 Å²	60	52.9 Å²	52.9	42%	0.42	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-18.3	-174.8	57.8	0	0	0	0	114.3	P505 H506 S507	P505-S510 PolarHBondContact O-OG 3.3Å; H506-S510 WeakPolarHBondContact CA-OG 3.28Å; S507-S510 PolarHBondContact N-OG 2.93Å; S507-S510 PolarHBondContact O-N 3.25Å; S507-S510 PolarHBondContact OG-OG 3.47Å
511	H	91	Very high	93	Very high	53 Å²	53	54.9 Å²	54.9	25%	0.245	31%	0.31	C	S	.	.			trans	-143.3	130.3	-173.6	-162.2	-75.3	0	0	0	113.9	Y482 H506 S507 F513 F514	Y482-H511 PolarHBondContact OH-CD2 2.73Å; Y482-H511 PolarHBondContact OH-CE1 3.08Å; Y482-H511 VanDerWaalsContact OH-CE1 3.29Å; Y482-H511 PolarHBondContact OH-NE2 3.46Å; H506-H511 HydrophobicContact CB-CB 4.27Å; H506-H511 AromaticContact CE1-CD2 3.97Å; H506-H511 AromaticContact ND1-CD2 3.81Å; S507-H511 PolarHBondContact O-N 3.11Å; H511-F513 VanDerWaalsContact C-N 3.28Å; H511-F513 WeakPolarHBondContact ND1-CB 3.37Å; H511-F513 PolarHBondContact ND1-N 3.26Å; H511-F513 PolarHBondContact O-N 3.18Å; H511-F513 VanDerWaalsContact O-N 3.17Å; H511-F514 HydrophobicContact CB-CD2 4.3Å; H511-F514 PolarHBondContact O-N 2.97Å
512	T	91.6	Very high	92.8	Very high	111 Å²	111	51.2 Å²	51.2	68%	0.681	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-60.7	-30.6	-173.2	56.3	0	0	0	0	114.5	F514 A515	T512-F514 PolarHBondContact O-N 3.18Å; T512-A515 WeakPolarHBondContact O-CB 3.28Å; T512-A515 PolarHBondContact O-N 3.16Å
513	F	89.8	Confident	92.8	Very high	47 Å²	47	50.6 Å²	50.6	21%	0.206	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-59.9	-29.8	175	179.2	-96.9	0	0	0	113.9	F355 F480 Y482 H511 K517	F355-F513 HydrophobicContact CE1-CE1 4.28Å; F355-F513 HydrophobicContact CE2-CE1 4.1Å; F355-F513 HydrophobicContact CE2-CZ 4.08Å; F355-F513 AromaticContact CZ-CE1 3.7Å; F355-F513 HydrophobicContact CZ-CE1 3.7Å; F355-F513 AromaticContact CZ-CZ 3.91Å; F355-F513 HydrophobicContact CZ-CZ 3.91Å; F480-F513 AromaticContact CE2-CD2 3.86Å; F480-F513 HydrophobicContact CE2-CD2 3.86Å; F480-F513 AromaticContact CE2-CE2 3.92Å; F480-F513 HydrophobicContact CE2-CE2 3.92Å; F480-F513 HydrophobicContact CE2-CG 4.19Å; F480-F513 HydrophobicContact CE2-CZ 4.29Å; F480-F513 HydrophobicContact CZ-CD2 4.18Å; F480-F513 HydrophobicContact CZ-CE2 4Å; Y482-F513 AromaticContact CD2-CD1 3.51Å; Y482-F513 HydrophobicContact CD2-CD1 3.51Å; Y482-F513 AromaticContact CD2-CE1 3.67Å; Y482-F513 HydrophobicContact CD2-CE1 3.67Å; Y482-F513 HydrophobicContact CD2-CG 4.18Å; Y482-F513 HydrophobicContact CD2-CZ 4.47Å; Y482-F513 HydrophobicContact CE2-CB 4.13Å; Y482-F513 AromaticContact CE2-CD1 3.69Å; Y482-F513 HydrophobicContact CE2-CD1 3.69Å; Y482-F513 HydrophobicContact CE2-CE1 4.31Å; Y482-F513 HydrophobicContact CE2-CG 4Å; H511-F513 VanDerWaalsContact C-N 3.28Å; H511-F513 WeakPolarHBondContact ND1-CB 3.37Å; H511-F513 PolarHBondContact ND1-N 3.26Å; H511-F513 PolarHBondContact O-N 3.18Å; H511-F513 VanDerWaalsContact O-N 3.17Å; F513-K517 HydrophobicContact CD1-CD 4.47Å; F513-K517 HydrophobicContact CE1-CD 4.19Å; F513-K517 VanDerWaalsContact CZ-CE 3.49Å; F513-K517 WeakPolarHBondContact O-CE 3.31Å
514	F	92.4	Very high	92.9	Very high	3 Å²	3	46.2 Å²	46.2	1%	0.013	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-97.6	-4.2	-179.8	-67.7	-78.9	0	0	0	112.5	F355 Y482 H506 R508 H511 T512 D516 K517 L523	F355-F514 HydrophobicContact CD1-CE1 4.02Å; F355-F514 HydrophobicContact CE1-CE1 4.08Å; F355-F514 HydrophobicContact CE1-CZ 4.45Å; Y482-F514 AromaticContact CD2-CE2 3.63Å; Y482-F514 HydrophobicContact CD2-CE2 3.63Å; Y482-F514 AromaticContact CD2-CZ 3.62Å; Y482-F514 HydrophobicContact CD2-CZ 3.62Å; Y482-F514 HydrophobicContact CE2-CD2 4.45Å; Y482-F514 AromaticContact CE2-CE2 3.58Å; Y482-F514 HydrophobicContact CE2-CE2 3.58Å; Y482-F514 HydrophobicContact CE2-CZ 4.08Å; Y482-F514 HydrophobicContact CG-CE2 4.15Å; Y482-F514 AromaticContact CG-CZ 3.93Å; Y482-F514 HydrophobicContact CG-CZ 3.93Å; H506-F514 HydrophobicContact CB-CE2 4.3Å; R508-F514 HydrophobicContact CG-CB 4.46Å; R508-F514 VanDerWaalsContact CG-O 3.26Å; R508-F514 WeakPolarHBondContact CG-O 3.32Å; H511-F514 HydrophobicContact CB-CD2 4.3Å; H511-F514 PolarHBondContact O-N 2.97Å; T512-F514 PolarHBondContact O-N 3.18Å; F514-D516 PolarHBondContact O-N 3.19Å; F514-K517 HydrophobicContact CD1-CD 3.63Å; F514-K517 HydrophobicContact CE1-CD 4.08Å; F514-K517 HydrophobicContact CG-CD 4.47Å; F514-K517 PolarHBondContact O-N 3.35Å; F514-K517 VanDerWaalsContact O-N 3.09Å; F514-L523 HydrophobicContact CE1-CD1 3.98Å; F514-L523 HydrophobicContact CE2-CD1 4.44Å; F514-L523 HydrophobicContact CE2-CD2 4.43Å; F514-L523 HydrophobicContact CZ-CD1 3.77Å; F514-L523 HydrophobicContact CZ-CD2 3.73Å; F514-L523 HydrophobicContact CZ-CG 4.35Å
515	A	91.5	Very high	93.1	Very high	52 Å²	52	41.8 Å²	41.8	43%	0.43	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-33	-167.7	0	0	0	0	0	114.2	R508 T512	R508-A515 VanDerWaalsContact CZ-O 3.29Å; R508-A515 PolarHBondContact NE-O 3.38Å; R508-A515 VanDerWaalsContact NE-O 3.15Å; R508-A515 PolarHBondContact NH2-O 3.4Å; T512-A515 WeakPolarHBondContact O-CB 3.28Å; T512-A515 PolarHBondContact O-N 3.16Å
516	D	90.6	Very high	93.2	Very high	46 Å²	46	39.2 Å²	39.2	25%	0.246	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-10.5	-179.5	64.6	-27.9	0	0	0	114.3	W368 F514	W368-D516 PolarHBondContact NE1-OD2 2.85Å; F514-D516 PolarHBondContact O-N 3.19Å
517	K	92.3	Very high	93.3	Very high	36 Å²	36	37.2 Å²	37.2	16%	0.157	23%	0.228	C	C	.	.	S	Bend	trans	-70.3	139.4	-173.7	-69.7	-170.2	177.1	-63.6	0	112.1	F355 R508 F513 F514 T519	F355-K517 HydrophobicContact CB-CD 4.49Å; F355-K517 HydrophobicContact CD2-CD 3.92Å; F355-K517 HydrophobicContact CE2-CD 4.35Å; F355-K517 HydrophobicContact CG-CD 4.11Å; R508-K517 WeakPolarHBondContact CD-O 3.16Å; R508-K517 PolarHBondContact NE-O 2.85Å; R508-K517 PolarHBondContact NH1-O 3.49Å; F513-K517 HydrophobicContact CD1-CD 4.47Å; F513-K517 HydrophobicContact CE1-CD 4.19Å; F513-K517 VanDerWaalsContact CZ-CE 3.49Å; F513-K517 WeakPolarHBondContact O-CE 3.31Å; F514-K517 HydrophobicContact CD1-CD 3.63Å; F514-K517 HydrophobicContact CE1-CD 4.08Å; F514-K517 HydrophobicContact CG-CD 4.47Å; F514-K517 PolarHBondContact O-N 3.35Å; F514-K517 VanDerWaalsContact O-N 3.09Å; K517-T519 PolarHBondContact O-N 3.07Å
518	P	93.9	Very high	93.4	Very high	4 Å²	4	37 Å²	37	3%	0.026	23%	0.226	C	C	.	.	S	Bend	trans	-77.9	41	-169.1	35.5	-36.2	0	0	0	113.9	T357 E358 Y361 W368	T357-P518 CarbonylContact C-O 3.56Å; T357-P518 WeakPolarHBondContact CA-O 3.16Å; T357-P518 HydrophobicContact CG2-CB 4.19Å; T357-P518 VanDerWaalsContact OG1-CG 3.26Å; T357-P518 WeakPolarHBondContact OG1-CG 3.45Å; E358-P518 PolarHBondContact N-O 3.22Å; Y361-P518 WeakPolarHBondContact CD2-O 3.4Å; Y361-P518 HydrophobicContact CG-CB 4.28Å; W368-P518 HydrophobicContact CB-CB 4.44Å; W368-P518 HydrophobicContact CB-CG 3.99Å
519	T	92.4	Very high	93.4	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	22%	0.219	C	C	.	.			trans	-149.7	139.6	178.1	171.1	0	0	0	0	110.4	F355 E358 R508 K517 R521	F355-T519 HydrophobicContact CB-CG2 4.42Å; E358-T519 PolarHBondContact OE1-OG1 3.37Å; R508-T519 WeakPolarHBondContact CD-O 3.49Å; R508-T519 WeakPolarHBondContact CG-O 3.27Å; K517-T519 PolarHBondContact O-N 3.07Å; T519-R521 VanDerWaalsContact OG1-CB 3.22Å; T519-R521 WeakPolarHBondContact OG1-CB 3.36Å; T519-R521 PolarHBondContact OG1-N 3.18Å; T519-R521 VanDerWaalsContact OG1-N 3.16Å
520	S	91.9	Very high	93.7	Very high	57 Å²	57	29.6 Å²	29.6	40%	0.399	18%	0.18	S	C	.	.			trans	-91.8	-2.4	174.6	61.7	0	0	0	0	113.6	E358 Q360 G522	E358-S520 PolarHBondContact OE1-N 2.69Å; E358-S520 PolarHBondContact OE1-OG 3.03Å; E358-S520 WeakPolarHBondContact OE2-CB 3.1Å; E358-S520 PolarHBondContact OE2-N 2.03Å; E358-S520 PolarHBondContact OE2-OG 3.42Å; Q360-S520 PolarHBondContact NE2-OG 2.96Å; S520-G522 PolarHBondContact O-N 3.46Å
521	R	93.1	Very high	93.8	Very high	42 Å²	42	28.7 Å²	28.7	16%	0.158	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-49	126.6	178.6	-175.8	171.6	61.4	91.8	-2.8	112.3	E358 H384 E483 T519	E358-R521 PolarHBondContact OE1-N 3.32Å; E358-R521 VanDerWaalsContact OE1-N 3.14Å; H384-R521 PolarHBondContact CD2-NH2 3.38Å; H384-R521 VanDerWaalsContact CD2-NH2 3.29Å; H384-R521 VanDerWaalsContact CG-NH2 3.34Å; H384-R521 PolarHBondContact ND1-NH2 3.38Å; H384-R521 WeakPolarHBondContact O-CD 3.09Å; E483-R521 IonicContact OE1-CZ 3.78Å; E483-R521 IonicContact OE1-NH1 3.42Å; E483-R521 PolarHBondContact OE1-NH1 3.12Å; E483-R521 IonicContact OE1-NH2 3.72Å; E483-R521 IonicContact OE2-CZ 3.36Å; E483-R521 IonicContact OE2-NH1 2.9Å; E483-R521 PolarHBondContact OE2-NH1 2.87Å; E483-R521 VanDerWaalsContact OE2-NH1 3.14Å; E483-R521 IonicContact OE2-NH2 3.84Å; E483-R521 PolarHBondContact OE2-NH2 3.41Å; T519-R521 VanDerWaalsContact OG1-CB 3.22Å; T519-R521 WeakPolarHBondContact OG1-CB 3.36Å; T519-R521 PolarHBondContact OG1-N 3.18Å; T519-R521 VanDerWaalsContact OG1-N 3.16Å
522	G	93.7	Very high	93.7	Very high	36 Å²	36	29.8 Å²	29.8	37%	0.371	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-90.5	125.4	172.1	0	0	0	0	0	111.7	H506 S520	H506-G522 CarbonylContact O-C 3.56Å; H506-G522 WeakPolarHBondContact O-CA 3.37Å; S520-G522 PolarHBondContact O-N 3.46Å
523	L	96.4	Very high	93.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	120.5	174.3	-79.6	68	0	0	0	109.7	Y482 E483 F502 P505 H506 F514 P528	Y482-L523 HydrophobicContact CD1-CD2 4.06Å; Y482-L523 HydrophobicContact CG-CD2 4.09Å; E483-L523 HydrophobicContact CG-CD2 4.1Å; F502-L523 HydrophobicContact CD2-CB 4.37Å; F502-L523 WeakPolarHBondContact CD2-O 3.43Å; P505-L523 CarbonylContact C-O 3.56Å; P505-L523 WeakPolarHBondContact CA-O 3.5Å; P505-L523 WeakPolarHBondContact CB-O 3.47Å; H506-L523 PolarHBondContact N-O 3.16Å; H506-L523 PolarHBondContact O-N 3.27Å; F514-L523 HydrophobicContact CE1-CD1 3.98Å; F514-L523 HydrophobicContact CE2-CD1 4.44Å; F514-L523 HydrophobicContact CE2-CD2 4.43Å; F514-L523 HydrophobicContact CZ-CD1 3.77Å; F514-L523 HydrophobicContact CZ-CD2 3.73Å; F514-L523 HydrophobicContact CZ-CG 4.35Å; L523-P528 HydrophobicContact CB-CG 4.02Å; L523-P528 HydrophobicContact CD2-CG 4.47Å; L523-P528 HydrophobicContact CG-CG 3.93Å
524	T	96.7	Very high	93.4	Very high	50 Å²	50	23.1 Å²	23.1	31%	0.307	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-18.5	178.3	48.7	0	0	0	0	113.7	F502 P505 E531	F502-T524 PolarHBondContact N-O 3.07Å; P505-T524 HydrophobicContact CG-CG2 4.32Å; T524-E531 WeakPolarHBondContact CB-OE2 3.14Å; T524-E531 PolarHBondContact OG1-OE2 3.26Å
525	S	98	Very high	93.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	174.7	177.8	62	0	0	0	0	110.8	N499 P500 F502 H527 P528 E531	N499-S525 WeakPolarHBondContact ND2-CB 3.48Å; N499-S525 PolarHBondContact ND2-OG 3.45Å; P500-S525 CarbonylContact O-C 3.37Å; P500-S525 WeakPolarHBondContact O-CA 3.39Å; P500-S525 VanDerWaalsContact O-CB 3.22Å; P500-S525 WeakPolarHBondContact O-CB 3.44Å; F502-S525 VanDerWaalsContact CD2-C 3.4Å; F502-S525 WeakPolarHBondContact CD2-O 3.22Å; F502-S525 WeakPolarHBondContact CE2-O 3.21Å; S525-H527 PolarHBondContact O-N 3.47Å; S525-P528 WeakPolarHBondContact O-CD 3.24Å; S525-E531 WeakPolarHBondContact CB-OE2 3.34Å; S525-E531 PolarHBondContact OG-OE2 2.54Å
526	Q	97.7	Very high	93.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.153	C	C	.	.	S	Bend	trans	-57.2	-31.9	175.4	-173.4	175.1	-2.9	0	0	111.6	P481 E483 N499 P500 F502	P481-Q526 WeakPolarHBondContact O-CG 3.31Å; P481-Q526 PolarHBondContact O-NE2 3.5Å; E483-Q526 PolarHBondContact N-O 3.39Å; N499-Q526 WeakPolarHBondContact OD1-CB 3.46Å; N499-Q526 PolarHBondContact OD1-N 3.04Å; P500-Q526 HydrophobicContact CB-CB 4.48Å; P500-Q526 HydrophobicContact CG-CB 4.46Å; P500-Q526 PolarHBondContact O-N 2.9Å; F502-Q526 HydrophobicContact CE2-CB 4.4Å; F502-Q526 HydrophobicContact CZ-CB 3.9Å
527	H	97.7	Very high	93.2	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.154	C	C	.	.			trans	-140.5	82.9	178.9	-157	-45.1	0	0	0	112.5	F382 G484 F497 N499 S525 Y529 I530 E531	F382-H527 AromaticContact CD1-CE1 4Å; F382-H527 AromaticContact CE1-CE1 3.36Å; F382-H527 WeakPolarHBondContact CE1-CE1 3.45Å; F382-H527 AromaticContact CE1-NE2 3.73Å; F382-H527 AromaticContact CZ-CE1 3.37Å; F382-H527 WeakPolarHBondContact CZ-CE1 3.49Å; F382-H527 AromaticContact CZ-NE2 3.33Å; F382-H527 VanDerWaalsContact CZ-NE2 3.33Å; F382-H527 WeakPolarHBondContact CZ-NE2 3.35Å; G484-H527 PolarHBondContact O-NE2 2.93Å; F497-H527 HydrophobicContact CE1-CB 4.07Å; N499-H527 PolarHBondContact ND2-O 3.29Å; N499-H527 PolarHBondContact OD1-N 3.47Å; S525-H527 PolarHBondContact O-N 3.47Å; H527-Y529 VanDerWaalsContact C-N 3.29Å; H527-Y529 PolarHBondContact O-N 2.99Å; H527-I530 HydrophobicContact CB-CB 4.25Å; H527-I530 HydrophobicContact CB-CD1 4.04Å; H527-I530 HydrophobicContact CB-CG1 4.33Å; H527-I530 VanDerWaalsContact CD2-CD1 3.46Å; H527-I530 WeakPolarHBondContact CD2-CD1 3.18Å; H527-I530 PolarHBondContact ND1-N 3.27Å; H527-I530 PolarHBondContact O-N 3.06Å; H527-E531 PolarHBondContact O-N 2.99Å; H527-E531 VanDerWaalsContact O-N 3.11Å
528	P	95.9	Very high	93.2	Very high	11 Å²	11	27 Å²	27	7%	0.071	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-31.1	-176	-26.3	36.8	0	0	0	114.5	L523 S525 I530 E531 N532	L523-P528 HydrophobicContact CB-CG 4.02Å; L523-P528 HydrophobicContact CD2-CG 4.47Å; L523-P528 HydrophobicContact CG-CG 3.93Å; S525-P528 WeakPolarHBondContact O-CD 3.24Å; P528-I530 PolarHBondContact O-N 3.07Å; P528-E531 WeakPolarHBondContact O-CB 3.43Å; P528-E531 PolarHBondContact O-N 3.47Å; P528-N532 WeakPolarHBondContact O-CB 2.94Å; P528-N532 PolarHBondContact O-N 3.13Å; P528-N532 PolarHBondContact O-ND2 3.3Å; P528-N532 VanDerWaalsContact O-ND2 3.15Å
529	Y	94.4	Very high	93.3	Very high	9 Å²	9	27 Å²	27	4%	0.035	16%	0.155	C	C	.	.	H	α-helix	trans	-58.7	-47.2	172.7	174.7	-88.5	0	0	0	111.7	F382 P383 L488 H527 N532 H533 I534 P568 E570 F571	F382-Y529 HydrophobicContact CD1-CD1 4Å; F382-Y529 HydrophobicContact CD1-CD2 4.11Å; F382-Y529 AromaticContact CD1-CG 3.67Å; F382-Y529 HydrophobicContact CD1-CG 3.67Å; F382-Y529 HydrophobicContact CE1-CD1 4.16Å; F382-Y529 HydrophobicContact CE1-CG 4.26Å; P383-Y529 HydrophobicContact CG-CD2 4.03Å; P383-Y529 HydrophobicContact CG-CE2 3.99Å; L488-Y529 HydrophobicContact CD1-CD1 4.31Å; L488-Y529 HydrophobicContact CD1-CE1 4.21Å; L488-Y529 HydrophobicContact CD2-CD1 4.23Å; L488-Y529 HydrophobicContact CD2-CE1 4.1Å; H527-Y529 VanDerWaalsContact C-N 3.29Å; H527-Y529 PolarHBondContact O-N 2.99Å; Y529-N532 PolarHBondContact O-N 3.46Å; Y529-H533 HydrophobicContact CD2-CB 4.4Å; Y529-H533 AromaticContact CD2-CD2 3.9Å; Y529-H533 AromaticContact CD2-CE1 3.66Å; Y529-H533 AromaticContact CD2-CG 3.79Å; Y529-H533 AromaticContact CD2-ND1 3.62Å; Y529-H533 AromaticContact CD2-NE2 3.8Å; Y529-H533 HydrophobicContact CE1-CB 4.28Å; Y529-H533 HydrophobicContact CE2-CB 4.05Å; Y529-H533 AromaticContact CE2-CD2 3.47Å; Y529-H533 VanDerWaalsContact CE2-CD2 3.47Å; Y529-H533 WeakPolarHBondContact CE2-CD2 3.48Å; Y529-H533 AromaticContact CE2-CG 3.63Å; Y529-H533 AromaticContact CE2-ND1 3.95Å; Y529-H533 AromaticContact CE2-NE2 3.73Å; Y529-H533 VanDerWaalsContact O-CB 3.25Å; Y529-H533 WeakPolarHBondContact O-CB 2.79Å; Y529-H533 PolarHBondContact O-N 2.98Å; Y529-H533 PolarHBondContact O-ND1 2.61Å; Y529-I534 HydrophobicContact CE1-CD1 4.26Å; Y529-I534 HydrophobicContact CE1-CG1 4.37Å; Y529-P568 HydrophobicContact CE1-CG 4.34Å; Y529-P568 WeakPolarHBondContact OH-CB 3.39Å; Y529-E570 VanDerWaalsContact CE2-OE1 3.24Å; Y529-E570 WeakPolarHBondContact CE2-OE1 3.18Å; Y529-E570 VanDerWaalsContact CZ-OE1 3.29Å; Y529-E570 PolarHBondContact OH-OE1 2.93Å; Y529-F571 HydrophobicContact CD1-CE2 4.41Å; Y529-F571 HydrophobicContact CE1-CD2 4.27Å; Y529-F571 AromaticContact CE1-CE2 3.67Å; Y529-F571 HydrophobicContact CE1-CE2 3.67Å; Y529-F571 HydrophobicContact CE1-CZ 4.44Å; Y529-F571 AromaticContact CE2-CE2 3.92Å; Y529-F571 HydrophobicContact CE2-CE2 3.92Å; Y529-F571 AromaticContact CZ-CE2 3.4Å; Y529-F571 WeakPolarHBondContact OH-CE2 3.33Å
530	I	94.9	Very high	93.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.9	-42.3	177.8	-68.9	173.6	0	0	0	110.6	P487 L488 I491 F497 H527 P528 N532 I534 S535 S539	P487-I530 HydrophobicContact CB-CD1 3.49Å; P487-I530 VanDerWaalsContact CB-CD1 3.49Å; L488-I530 HydrophobicContact CD2-CD1 3.86Å; L488-I530 HydrophobicContact CD2-CG1 3.58Å; L488-I530 HydrophobicContact CG-CD1 4.16Å; L488-I530 HydrophobicContact CG-CG1 4.22Å; I491-I530 HydrophobicContact CD1-CD1 3.86Å; I491-I530 HydrophobicContact CD1-CG1 4.26Å; I491-I530 HydrophobicContact CD1-CG2 3.89Å; F497-I530 HydrophobicContact CD1-CD1 3.97Å; F497-I530 HydrophobicContact CD1-CG2 4.25Å; F497-I530 HydrophobicContact CE1-CD1 4.32Å; H527-I530 HydrophobicContact CB-CB 4.25Å; H527-I530 HydrophobicContact CB-CD1 4.04Å; H527-I530 HydrophobicContact CB-CG1 4.33Å; H527-I530 VanDerWaalsContact CD2-CD1 3.46Å; H527-I530 WeakPolarHBondContact CD2-CD1 3.18Å; H527-I530 PolarHBondContact ND1-N 3.27Å; H527-I530 PolarHBondContact O-N 3.06Å; P528-I530 PolarHBondContact O-N 3.07Å; I530-N532 VanDerWaalsContact C-N 3.34Å; I530-N532 PolarHBondContact O-N 2.9Å; I530-I534 HydrophobicContact CG1-CD1 4.23Å; I530-I534 HydrophobicContact CG2-CB 4.26Å; I530-I534 PolarHBondContact O-N 3.06Å; I530-I534 VanDerWaalsContact O-N 3.12Å; I530-S535 PolarHBondContact O-N 2.71Å; I530-S539 WeakPolarHBondContact CG2-OG 3.21Å
531	E	94.3	Very high	93.7	Very high	41 Å²	41	26 Å²	26	19%	0.192	14%	0.144	C	C	.	.	H	α-helix	trans	-54.2	-49.1	175.2	179	179.3	-171.7	0	0	112	T524 S525 H527 P528 L541	T524-E531 WeakPolarHBondContact CB-OE2 3.14Å; T524-E531 PolarHBondContact OG1-OE2 3.26Å; S525-E531 WeakPolarHBondContact CB-OE2 3.34Å; S525-E531 PolarHBondContact OG-OE2 2.54Å; H527-E531 PolarHBondContact O-N 2.99Å; H527-E531 VanDerWaalsContact O-N 3.11Å; P528-E531 WeakPolarHBondContact O-CB 3.43Å; P528-E531 PolarHBondContact O-N 3.47Å; E531-L541 HydrophobicContact CG-CD2 4.19Å; E531-L541 WeakPolarHBondContact OE1-CD2 3.44Å
532	N	88.7	Confident	93.9	Very high	77 Å²	77	24.1 Å²	24.1	41%	0.412	14%	0.137	S	C	.	.	H	α-helix	trans	-87.1	-30.3	-170.8	-65.2	-33.7	0	0	0	114	P528 Y529 I530 N694	P528-N532 WeakPolarHBondContact O-CB 2.94Å; P528-N532 PolarHBondContact O-N 3.13Å; P528-N532 PolarHBondContact O-ND2 3.3Å; P528-N532 VanDerWaalsContact O-ND2 3.15Å; Y529-N532 PolarHBondContact O-N 3.46Å; I530-N532 VanDerWaalsContact C-N 3.34Å; I530-N532 PolarHBondContact O-N 2.9Å; N532-N694 PolarHBondContact O-ND2 3.35Å
533	H	86.2	Confident	94	Very high	17 Å²	17	25.5 Å²	25.5	8%	0.079	14%	0.136	C	C	.	.	H	α-helix	trans	-111.3	-22.2	-168.7	-58.5	66.9	0	0	0	114.4	Y529 Y697 I782	Y529-H533 HydrophobicContact CD2-CB 4.4Å; Y529-H533 AromaticContact CD2-CD2 3.9Å; Y529-H533 AromaticContact CD2-CE1 3.66Å; Y529-H533 AromaticContact CD2-CG 3.79Å; Y529-H533 AromaticContact CD2-ND1 3.62Å; Y529-H533 AromaticContact CD2-NE2 3.8Å; Y529-H533 HydrophobicContact CE1-CB 4.28Å; Y529-H533 HydrophobicContact CE2-CB 4.05Å; Y529-H533 AromaticContact CE2-CD2 3.47Å; Y529-H533 VanDerWaalsContact CE2-CD2 3.47Å; Y529-H533 WeakPolarHBondContact CE2-CD2 3.48Å; Y529-H533 AromaticContact CE2-CG 3.63Å; Y529-H533 AromaticContact CE2-ND1 3.95Å; Y529-H533 AromaticContact CE2-NE2 3.73Å; Y529-H533 VanDerWaalsContact O-CB 3.25Å; Y529-H533 WeakPolarHBondContact O-CB 2.79Å; Y529-H533 PolarHBondContact O-N 2.98Å; Y529-H533 PolarHBondContact O-ND1 2.61Å; H533-Y697 AromaticContact CD2-CD1 3.49Å; H533-Y697 VanDerWaalsContact CD2-CD1 3.49Å; H533-Y697 WeakPolarHBondContact CD2-CD1 2.87Å; H533-Y697 AromaticContact CD2-CE1 2.98Å; H533-Y697 WeakPolarHBondContact CD2-CE1 3.37Å; H533-Y697 AromaticContact CD2-CZ 3.54Å; H533-Y697 AromaticContact CE1-CE1 3.76Å; H533-Y697 AromaticContact CE1-CZ 3.43Å; H533-Y697 VanDerWaalsContact CE1-CZ 3.43Å; H533-Y697 PolarHBondContact CE1-OH 3.42Å; H533-Y697 VanDerWaalsContact CE1-OH 3.23Å; H533-Y697 AromaticContact CG-CE1 3.89Å; H533-Y697 AromaticContact NE2-CD1 3.88Å; H533-Y697 AromaticContact NE2-CE1 2.91Å; H533-Y697 WeakPolarHBondContact NE2-CE1 3.42Å; H533-Y697 AromaticContact NE2-CZ 2.96Å; H533-Y697 PolarHBondContact NE2-OH 3.46Å; H533-I782 VanDerWaalsContact NE2-CD1 3.29Å; H533-I782 WeakPolarHBondContact NE2-CD1 3.27Å
534	I	88.9	Confident	94	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-59.6	-175.9	-55.9	-167.8	0	0	0	110.3	L488 I491 Y529 I530 Y538 Y566 P568	L488-I534 HydrophobicContact CD2-CD1 3.33Å; I491-I534 HydrophobicContact CD1-CD1 4.39Å; I491-I534 HydrophobicContact CD1-CG2 4.41Å; I491-I534 HydrophobicContact CG2-CG2 4.47Å; Y529-I534 HydrophobicContact CE1-CD1 4.26Å; Y529-I534 HydrophobicContact CE1-CG1 4.37Å; I530-I534 HydrophobicContact CG1-CD1 4.23Å; I530-I534 HydrophobicContact CG2-CB 4.26Å; I530-I534 PolarHBondContact O-N 3.06Å; I530-I534 VanDerWaalsContact O-N 3.12Å; I534-Y538 HydrophobicContact CG2-CD2 3.96Å; I534-Y538 HydrophobicContact CG2-CG 4.15Å; I534-Y566 HydrophobicContact CD1-CD1 4.26Å; I534-Y566 HydrophobicContact CD1-CE1 4.25Å; I534-Y566 HydrophobicContact CG1-CD1 4.37Å; I534-Y566 HydrophobicContact CG1-CE1 4.05Å; I534-Y566 HydrophobicContact CG2-CD1 3.87Å; I534-Y566 HydrophobicContact CG2-CE1 4.22Å; I534-P568 HydrophobicContact CD1-CG 3.76Å; I534-P568 HydrophobicContact CG1-CG 4.24Å
535	S	88.1	Confident	93.9	Very high	49 Å²	49	28.3 Å²	28.3	34%	0.343	16%	0.164	S	C	.	.			trans	53.7	-161.3	177.9	-155.9	0	0	0	0	114.7	I530 Y538 S539	I530-S535 PolarHBondContact O-N 2.71Å; S535-Y538 PolarHBondContact O-N 3.27Å; S535-Y538 VanDerWaalsContact O-N 3.13Å; S535-S539 CarbonylContact C-O 3.42Å; S535-S539 PolarHBondContact O-N 3.43Å
536	E	90.8	Very high	93.9	Very high	85 Å²	85	31.6 Å²	31.6	40%	0.397	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	142.6	176.5	-64.6	-170	-166.6	0	0	110.3	S539 Y540 R556	E536-S539 WeakPolarHBondContact CA-O 3.37Å; E536-S539 WeakPolarHBondContact CG-O 3.5Å; E536-S539 PolarHBondContact N-O 2.71Å; E536-S539 VanDerWaalsContact N-O 3.07Å; E536-Y540 HydrophobicContact CB-CE1 4.4Å; E536-Y540 HydrophobicContact CG-CD1 3.63Å; E536-Y540 HydrophobicContact CG-CE1 3.65Å; E536-Y540 HydrophobicContact CG-CG 4.13Å; E536-Y540 WeakPolarHBondContact OE1-CD1 3.28Å; E536-Y540 VanDerWaalsContact OE2-CE1 3.25Å; E536-Y540 WeakPolarHBondContact OE2-CE1 3.29Å; E536-R556 IonicContact OE1-CZ 2.76Å; E536-R556 IonicContact OE1-NH1 3.22Å; E536-R556 PolarHBondContact OE1-NH1 2.8Å; E536-R556 IonicContact OE1-NH2 2.73Å; E536-R556 IonicContact OE2-NH1 2.66Å; E536-R556 PolarHBondContact OE2-NH1 2.96Å
537	P	91.1	Very high	93.9	Very high	40 Å²	40	35.1 Å²	35.1	26%	0.26	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	cis	-91.3	0.5	8.5	36.9	-36.9	0	0	0	114.7	Y540	P537-Y540 WeakPolarHBondContact O-CE2 3.25Å
538	Y	93.2	Very high	93.9	Very high	45 Å²	45	39.3 Å²	39.3	18%	0.176	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-24.6	-175.4	-55.4	-75.4	0	0	0	113	I491 I496 F497 I534 S535 G564 Y566 P693	I491-Y538 HydrophobicContact CG2-CD1 4.24Å; I491-Y538 HydrophobicContact CG2-CG 4.2Å; I496-Y538 CarbonylContact C-O 3.59Å; I496-Y538 WeakPolarHBondContact CA-O 3.38Å; F497-Y538 PolarHBondContact N-O 2.8Å; I534-Y538 HydrophobicContact CG2-CD2 3.96Å; I534-Y538 HydrophobicContact CG2-CG 4.15Å; S535-Y538 PolarHBondContact O-N 3.27Å; S535-Y538 VanDerWaalsContact O-N 3.13Å; Y538-G564 VanDerWaalsContact CE1-O 3.27Å; Y538-G564 WeakPolarHBondContact CE1-O 3.47Å; Y538-Y566 HydrophobicContact CD2-CD1 4.34Å; Y538-Y566 HydrophobicContact CD2-CG 4.4Å; Y538-Y566 VanDerWaalsContact CE1-CB 3.46Å; Y538-Y566 HydrophobicContact CE1-CG 4.49Å; Y538-Y566 HydrophobicContact CE2-CD1 4.41Å; Y538-Y566 HydrophobicContact CE2-CG 4.11Å; Y538-P693 HydrophobicContact CD2-CG 4.12Å; Y538-P693 HydrophobicContact CE2-CB 4.1Å; Y538-P693 HydrophobicContact CE2-CG 3.81Å
539	S	94.6	Very high	93.9	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	141.7	174.7	-175.4	0	0	0	0	111.6	F497 I530 S535 E536	F497-S539 CarbonylContact O-C 3.53Å; F497-S539 WeakPolarHBondContact O-CA 3.4Å; F497-S539 WeakPolarHBondContact O-CB 3.33Å; F497-S539 PolarHBondContact O-OG 2.84Å; I530-S539 WeakPolarHBondContact CG2-OG 3.21Å; S535-S539 CarbonylContact C-O 3.42Å; S535-S539 PolarHBondContact O-N 3.43Å; E536-S539 WeakPolarHBondContact CA-O 3.37Å; E536-S539 WeakPolarHBondContact CG-O 3.5Å; E536-S539 PolarHBondContact N-O 2.71Å; E536-S539 VanDerWaalsContact N-O 3.07Å
540	Y	96.3	Very high	94.1	Very high	5 Å²	5	40.3 Å²	40.3	2%	0.02	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.9	177	-69	-98.6	0	0	0	109.6	I496 F497 N499 E536 P537 T553 I557 T560	I496-Y540 HydrophobicContact CD1-CE2 4.49Å; I496-Y540 HydrophobicContact CG2-CD2 3.47Å; I496-Y540 VanDerWaalsContact CG2-CD2 3.47Å; I496-Y540 HydrophobicContact CG2-CE2 3.7Å; F497-Y540 PolarHBondContact O-N 3.3Å; N499-Y540 PolarHBondContact N-O 2.9Å; E536-Y540 HydrophobicContact CB-CE1 4.4Å; E536-Y540 HydrophobicContact CG-CD1 3.63Å; E536-Y540 HydrophobicContact CG-CE1 3.65Å; E536-Y540 HydrophobicContact CG-CG 4.13Å; E536-Y540 WeakPolarHBondContact OE1-CD1 3.28Å; E536-Y540 VanDerWaalsContact OE2-CE1 3.25Å; E536-Y540 WeakPolarHBondContact OE2-CE1 3.29Å; P537-Y540 WeakPolarHBondContact O-CE2 3.25Å; Y540-T553 HydrophobicContact CD1-CG2 3.93Å; Y540-T553 HydrophobicContact CG-CG2 3.96Å; Y540-I557 HydrophobicContact CD1-CG1 4.49Å; Y540-I557 HydrophobicContact CD2-CD1 3.78Å; Y540-I557 HydrophobicContact CD2-CG1 3.67Å; Y540-I557 HydrophobicContact CE1-CG1 4.44Å; Y540-I557 HydrophobicContact CE2-CD1 4.24Å; Y540-I557 HydrophobicContact CE2-CG1 3.61Å; Y540-I557 HydrophobicContact CG-CD1 4.08Å; Y540-I557 HydrophobicContact CG-CG1 4.14Å; Y540-T560 PolarHBondContact OH-OG1 2.78Å
541	L	96.9	Very high	94.3	Very high	34 Å²	34	43.6 Å²	43.6	18%	0.178	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	125.4	175.5	-171.3	57.5	0	0	0	109.5	N499 R501 E531	N499-L541 CarbonylContact O-C 3.44Å; N499-L541 WeakPolarHBondContact O-CA 3.03Å; N499-L541 WeakPolarHBondContact O-CD1 3.28Å; R501-L541 HydrophobicContact CB-CD1 3.65Å; R501-L541 HydrophobicContact CB-CG 3.95Å; R501-L541 HydrophobicContact CG-CD1 4.19Å; R501-L541 HydrophobicContact CG-CD2 4.46Å; R501-L541 HydrophobicContact CG-CG 4.33Å; R501-L541 VanDerWaalsContact NE-CD2 3.27Å; R501-L541 VanDerWaalsContact NH2-CD2 3.25Å; E531-L541 HydrophobicContact CG-CD2 4.19Å; E531-L541 WeakPolarHBondContact OE1-CD2 3.44Å
542	I	97.1	Very high	94.4	Very high	1 Å²	1	47 Å²	47	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.9	-171.3	-163.6	156.5	0	0	0	111.7	Y429 L498 N499 P500 R501 I550	Y429-I542 HydrophobicContact CE2-CD1 3.72Å; Y429-I542 HydrophobicContact CE2-CG1 4.23Å; L498-I542 HydrophobicContact CB-CG2 4.36Å; L498-I542 HydrophobicContact CD1-CD1 4.31Å; L498-I542 HydrophobicContact CD2-CD1 4.37Å; N499-I542 PolarHBondContact O-N 3.36Å; P500-I542 CarbonylContact C-O 3.49Å; P500-I542 VanDerWaalsContact CA-O 3.31Å; P500-I542 WeakPolarHBondContact CA-O 3.44Å; P500-I542 HydrophobicContact CG-CG2 4.35Å; R501-I542 PolarHBondContact N-O 2.97Å; I542-I550 HydrophobicContact CD1-CB 4.36Å; I542-I550 HydrophobicContact CD1-CG1 3.94Å; I542-I550 HydrophobicContact CD1-CG2 4.31Å; I542-I550 HydrophobicContact CG1-CG1 3.94Å
543	D	96.8	Very high	94.8	Very high	66 Å²	66	43.4 Å²	43.4	35%	0.353	24%	0.237	S	C	.	.			trans	-85.4	108.7	166.3	-176.1	-16	0	0	0	108.3	G545 N546 Q549	D543-G545 PolarHBondContact O-N 3.28Å; D543-G545 VanDerWaalsContact O-N 3.11Å; D543-G545 PolarHBondContact OD1-N 3.44Å; D543-N546 HydrophobicContact CB-CB 3.95Å; D543-N546 PolarHBondContact O-N 3.31Å; D543-N546 VanDerWaalsContact O-N 3.08Å; D543-Q549 VanDerWaalsContact CB-OE1 3.24Å
544	M	96	Very high	95.3	Very high	44 Å²	44	42.7 Å²	42.7	22%	0.217	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.2	-176.6	-65.4	-175.1	-67.4	0	0	113.3	K426 Y429 P500	K426-M544 HydrophobicContact CD-CE 4.38Å; K426-M544 HydrophobicContact CD-SD 3.96Å; Y429-M544 HydrophobicContact CD1-CG 4.06Å; Y429-M544 HydrophobicContact CD1-SD 4Å; Y429-M544 HydrophobicContact CD2-CB 4.4Å; Y429-M544 HydrophobicContact CD2-CG 4.29Å; Y429-M544 HydrophobicContact CE1-CG 4.05Å; Y429-M544 HydrophobicContact CE1-SD 4.04Å; Y429-M544 HydrophobicContact CE2-CG 4.28Å; Y429-M544 HydrophobicContact CG-CB 4.28Å; Y429-M544 HydrophobicContact CG-CG 4.18Å; P500-M544 HydrophobicContact CB-CE 3.8Å; P500-M544 HydrophobicContact CB-CG 4.09Å; P500-M544 HydrophobicContact CB-SD 3.88Å; P500-M544 HydrophobicContact CG-CE 4.34Å; P500-M544 HydrophobicContact CG-CG 4.3Å; P500-M544 HydrophobicContact CG-SD 3.85Å
545	G	95	Very high	95.6	Very high	65 Å²	65	48.5 Å²	48.5	67%	0.67	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-14.8	176	0	0	0	0	0	114.3	D543 E547	D543-G545 PolarHBondContact O-N 3.28Å; D543-G545 VanDerWaalsContact O-N 3.11Å; D543-G545 PolarHBondContact OD1-N 3.44Å; G545-E547 PolarHBondContact O-N 2.85Å
546	N	97	Very high	95.9	Very high	68 Å²	68	50.7 Å²	50.7	36%	0.364	26%	0.26	S	S	.	.			trans	-97.3	90.2	-175.5	-171.3	-27.3	0	0	0	111.2	D543 T548 Q549 I550	D543-N546 HydrophobicContact CB-CB 3.95Å; D543-N546 PolarHBondContact O-N 3.31Å; D543-N546 VanDerWaalsContact O-N 3.08Å; N546-T548 VanDerWaalsContact C-N 3.26Å; N546-T548 PolarHBondContact O-N 3.45Å; N546-T548 PolarHBondContact OD1-N 2.91Å; N546-Q549 HydrophobicContact CB-CB 3.97Å; N546-Q549 PolarHBondContact O-N 1.94Å; N546-Q549 VanDerWaalsContact O-N 3.17Å; N546-Q549 PolarHBondContact OD1-N 2.89Å; N546-Q549 VanDerWaalsContact OD1-N 3.08Å; N546-I550 WeakPolarHBondContact O-CD1 3.34Å; N546-I550 VanDerWaalsContact O-CG1 3.3Å; N546-I550 WeakPolarHBondContact O-CG1 3.24Å; N546-I550 PolarHBondContact O-N 3.48Å
547	E	97.5	Very high	96	Very high	75 Å²	75	46.7 Å²	46.7	35%	0.35	24%	0.241	S	C	.	.	H	α-helix	trans	-56	-38.4	-176.8	-59.1	-157.3	175	0	0	113.6	N428 I432 G545 I550 R551	N428-E547 PolarHBondContact ND2-OE1 2.77Å; I432-E547 HydrophobicContact CD1-CB 3.83Å; I432-E547 HydrophobicContact CD1-CG 3.48Å; I432-E547 VanDerWaalsContact CD1-CG 3.48Å; G545-E547 PolarHBondContact O-N 2.85Å; E547-I550 PolarHBondContact O-N 3.36Å; E547-R551 WeakPolarHBondContact O-CG 3.05Å; E547-R551 PolarHBondContact O-N 3.11Å
548	T	97.5	Very high	96.1	Very high	89 Å²	89	48.2 Å²	48.2	55%	0.546	25%	0.247	S	C	.	.	H	α-helix	trans	-63.1	-49.8	178.7	-55.6	0	0	0	0	110.6	N546 I550 R551 E552	N546-T548 VanDerWaalsContact C-N 3.26Å; N546-T548 PolarHBondContact O-N 3.45Å; N546-T548 PolarHBondContact OD1-N 2.91Å; T548-I550 VanDerWaalsContact C-N 3.3Å; T548-I550 PolarHBondContact O-N 2.91Å; T548-R551 PolarHBondContact O-N 3.01Å; T548-E552 WeakPolarHBondContact O-CG 3.48Å; T548-E552 PolarHBondContact O-N 3.28Å
549	Q	97.4	Very high	95.8	Very high	41 Å²	41	51.7 Å²	51.7	19%	0.192	27%	0.273	C	S	.	.	H	α-helix	trans	-62.1	-38.4	178.5	-167.8	-161	39.1	0	0	111.8	D543 N546 T553	D543-Q549 VanDerWaalsContact CB-OE1 3.24Å; N546-Q549 HydrophobicContact CB-CB 3.97Å; N546-Q549 PolarHBondContact O-N 1.94Å; N546-Q549 VanDerWaalsContact O-N 3.17Å; N546-Q549 PolarHBondContact OD1-N 2.89Å; N546-Q549 VanDerWaalsContact OD1-N 3.08Å; Q549-T553 WeakPolarHBondContact O-CB 3.29Å; Q549-T553 PolarHBondContact O-N 3.38Å; Q549-T553 PolarHBondContact O-OG1 3.39Å
550	I	98	Very high	95.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.7	-49.6	176.5	-65.9	159.1	0	0	0	110.2	Y429 I432 L433 I542 N546 E547 T548 T553 A554	Y429-I550 HydrophobicContact CD2-CD1 3.71Å; Y429-I550 HydrophobicContact CD2-CG1 4.12Å; Y429-I550 HydrophobicContact CD2-CG2 4.37Å; Y429-I550 HydrophobicContact CE2-CD1 4.29Å; Y429-I550 HydrophobicContact CE2-CG1 4.2Å; Y429-I550 HydrophobicContact CE2-CG2 4.34Å; I432-I550 HydrophobicContact CB-CG2 4.17Å; I432-I550 HydrophobicContact CD1-CD1 4.34Å; I432-I550 HydrophobicContact CG2-CB 4.28Å; I432-I550 HydrophobicContact CG2-CG2 3.6Å; L433-I550 HydrophobicContact CD2-CG2 3.71Å; L433-I550 HydrophobicContact CG-CG2 4.05Å; I542-I550 HydrophobicContact CD1-CB 4.36Å; I542-I550 HydrophobicContact CD1-CG1 3.94Å; I542-I550 HydrophobicContact CD1-CG2 4.31Å; I542-I550 HydrophobicContact CG1-CG1 3.94Å; N546-I550 WeakPolarHBondContact O-CD1 3.34Å; N546-I550 VanDerWaalsContact O-CG1 3.3Å; N546-I550 WeakPolarHBondContact O-CG1 3.24Å; N546-I550 PolarHBondContact O-N 3.48Å; E547-I550 PolarHBondContact O-N 3.36Å; T548-I550 VanDerWaalsContact C-N 3.3Å; T548-I550 PolarHBondContact O-N 2.91Å; I550-T553 PolarHBondContact O-N 3.43Å; I550-A554 WeakPolarHBondContact O-CB 3.23Å; I550-A554 PolarHBondContact O-N 2.89Å
551	R	98.3	Very high	94.4	Very high	69 Å²	69	55.3 Å²	55.3	26%	0.26	29%	0.293	S	S	.	.	H	α-helix	trans	-64.5	-43.1	-179.6	-69.1	177.7	-173.7	-71.8	-0.8	112.3	I432 D435 Y436 E547 T548 A554 K555	I432-R551 HydrophobicContact CG2-CG 3.6Å; D435-R551 IonicContact OD2-CZ 3.8Å; D435-R551 IonicContact OD2-NH1 2.84Å; D435-R551 PolarHBondContact OD2-NH1 2.83Å; D435-R551 IonicContact OD2-NH2 3.84Å; Y436-R551 HydrophobicContact CE2-CB 4.45Å; Y436-R551 HydrophobicContact CE2-CG 4.24Å; E547-R551 WeakPolarHBondContact O-CG 3.05Å; E547-R551 PolarHBondContact O-N 3.11Å; T548-R551 PolarHBondContact O-N 3.01Å; R551-A554 PolarHBondContact O-N 2.82Å; R551-K555 WeakPolarHBondContact O-CG 3.45Å; R551-K555 PolarHBondContact O-N 2.76Å
552	E	97.3	Very high	93.2	Very high	114 Å²	114	63.1 Å²	63.1	53%	0.533	33%	0.326	S	S	.	.	H	α-helix	trans	-63.5	-44	176.6	-72.4	174.2	172.5	0	0	111.6	T548 K555 R556	T548-E552 WeakPolarHBondContact O-CG 3.48Å; T548-E552 PolarHBondContact O-N 3.28Å; E552-K555 PolarHBondContact O-N 3.37Å; E552-R556 WeakPolarHBondContact O-CG 3.39Å; E552-R556 PolarHBondContact O-N 2.84Å
553	T	96.9	Very high	91.6	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.006	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-42.1	178.2	-59.8	0	0	0	0	111.7	L498 Y540 Q549 I550 K555 R556 I557	L498-T553 HydrophobicContact CD2-CG2 4.25Å; Y540-T553 HydrophobicContact CD1-CG2 3.93Å; Y540-T553 HydrophobicContact CG-CG2 3.96Å; Q549-T553 WeakPolarHBondContact O-CB 3.29Å; Q549-T553 PolarHBondContact O-N 3.38Å; Q549-T553 PolarHBondContact O-OG1 3.39Å; I550-T553 PolarHBondContact O-N 3.43Å; T553-K555 PolarHBondContact O-N 2.74Å; T553-R556 PolarHBondContact O-N 2.88Å; T553-R556 PolarHBondContact OG1-NH2 2.96Å; T553-I557 HydrophobicContact CG2-CD1 3.95Å; T553-I557 WeakPolarHBondContact O-CG1 3.43Å; T553-I557 PolarHBondContact O-N 2.73Å
554	A	96.4	Very high	90.7	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.008	34%	0.343	C	S	.	.	H	α-helix	trans	-60.4	-43.5	174.7	0	0	0	0	0	112	L433 Y436 F437 I550 R551 I557 L558	L433-A554 HydrophobicContact CD2-CB 4.29Å; Y436-A554 HydrophobicContact CD1-CB 4.21Å; Y436-A554 HydrophobicContact CD2-CB 3.54Å; Y436-A554 HydrophobicContact CE2-CB 4Å; Y436-A554 HydrophobicContact CG-CB 3.66Å; F437-A554 HydrophobicContact CE2-CB 4.09Å; F437-A554 HydrophobicContact CZ-CB 4.14Å; I550-A554 WeakPolarHBondContact O-CB 3.23Å; I550-A554 PolarHBondContact O-N 2.89Å; R551-A554 PolarHBondContact O-N 2.82Å; A554-I557 PolarHBondContact O-N 3.47Å; A554-L558 WeakPolarHBondContact O-CG 3.46Å; A554-L558 PolarHBondContact O-N 3.18Å; A554-L558 VanDerWaalsContact O-N 3.11Å
555	K	95.4	Very high	90.3	Very high	124 Å²	124	65.4 Å²	65.4	54%	0.539	36%	0.358	S	S	.	.	H	α-helix	trans	-61.4	-43.8	174	-71.7	174.2	-176.7	179.3	0	112.3	Y436 R551 E552 T553 L558	Y436-K555 HydrophobicContact CE1-CG 3.79Å; R551-K555 WeakPolarHBondContact O-CG 3.45Å; R551-K555 PolarHBondContact O-N 2.76Å; E552-K555 PolarHBondContact O-N 3.37Å; T553-K555 PolarHBondContact O-N 2.74Å; K555-L558 PolarHBondContact O-N 3.07Å
556	R	94.1	Very high	90.2	Very high	95 Å²	95	62.6 Å²	62.6	36%	0.358	33%	0.328	S	S	.	.	H	α-helix	trans	-59.6	-46	175.4	-72.2	-173.2	-60.9	146.8	2.4	111.2	E536 E552 T553 L558 T559 T560	E536-R556 IonicContact OE1-CZ 2.76Å; E536-R556 IonicContact OE1-NH1 3.22Å; E536-R556 PolarHBondContact OE1-NH1 2.8Å; E536-R556 IonicContact OE1-NH2 2.73Å; E536-R556 IonicContact OE2-NH1 2.66Å; E536-R556 PolarHBondContact OE2-NH1 2.96Å; E552-R556 WeakPolarHBondContact O-CG 3.39Å; E552-R556 PolarHBondContact O-N 2.84Å; T553-R556 PolarHBondContact O-N 2.88Å; T553-R556 PolarHBondContact OG1-NH2 2.96Å; R556-L558 VanDerWaalsContact C-N 3.33Å; R556-L558 PolarHBondContact O-N 3Å; R556-T559 WeakPolarHBondContact O-CA 3.45Å; R556-T559 WeakPolarHBondContact O-CB 3.4Å; R556-T559 PolarHBondContact O-N 3.19Å; R556-T559 PolarHBondContact O-OG1 2.84Å; R556-T560 PolarHBondContact O-N 3.46Å; R556-T560 PolarHBondContact O-OG1 3.28Å
557	I	93.6	Very high	89.9	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-60.4	-40.7	179.6	-73.2	168.4	0	0	0	111.9	F437 I474 I496 L498 Y540 T553 A554 T559 T560 I561	F437-I557 HydrophobicContact CE1-CG2 4.37Å; F437-I557 HydrophobicContact CZ-CB 4.34Å; F437-I557 HydrophobicContact CZ-CG2 3.98Å; I474-I557 HydrophobicContact CG1-CG2 4.04Å; I496-I557 HydrophobicContact CD1-CG2 3.98Å; I496-I557 HydrophobicContact CG2-CD1 4.18Å; I496-I557 HydrophobicContact CG2-CG1 4.33Å; L498-I557 HydrophobicContact CD2-CD1 3.29Å; L498-I557 HydrophobicContact CG-CD1 4.36Å; Y540-I557 HydrophobicContact CD1-CG1 4.49Å; Y540-I557 HydrophobicContact CD2-CD1 3.78Å; Y540-I557 HydrophobicContact CD2-CG1 3.67Å; Y540-I557 HydrophobicContact CE1-CG1 4.44Å; Y540-I557 HydrophobicContact CE2-CD1 4.24Å; Y540-I557 HydrophobicContact CE2-CG1 3.61Å; Y540-I557 HydrophobicContact CG-CD1 4.08Å; Y540-I557 HydrophobicContact CG-CG1 4.14Å; T553-I557 HydrophobicContact CG2-CD1 3.95Å; T553-I557 WeakPolarHBondContact O-CG1 3.43Å; T553-I557 PolarHBondContact O-N 2.73Å; A554-I557 PolarHBondContact O-N 3.47Å; I557-T559 PolarHBondContact O-N 3.29Å; I557-T559 VanDerWaalsContact O-N 3.12Å; I557-T560 WeakPolarHBondContact CA-OG1 3.45Å; I557-T560 CarbonylContact O-C 3.53Å; I557-T560 PolarHBondContact O-N 2.03Å; I557-T560 PolarHBondContact O-OG1 3.24Å; I557-I561 WeakPolarHBondContact O-CB 3.41Å; I557-I561 PolarHBondContact O-N 3.04Å
558	L	91.8	Very high	89.7	Confident	72 Å²	72	57.8 Å²	57.8	38%	0.377	30%	0.301	S	S	.	.	H	α-helix	trans	-58.7	-26.1	175.7	-70.5	172	0	0	0	112.8	P411 Y436 F437 A554 K555 R556	P411-L558 HydrophobicContact CG-CD2 3.65Å; Y436-L558 HydrophobicContact CD1-CD1 3.89Å; F437-L558 HydrophobicContact CD1-CD2 4.44Å; F437-L558 HydrophobicContact CE1-CD2 3.83Å; F437-L558 HydrophobicContact CE1-CG 4.17Å; A554-L558 WeakPolarHBondContact O-CG 3.46Å; A554-L558 PolarHBondContact O-N 3.18Å; A554-L558 VanDerWaalsContact O-N 3.11Å; K555-L558 PolarHBondContact O-N 3.07Å; R556-L558 VanDerWaalsContact C-N 3.33Å; R556-L558 PolarHBondContact O-N 3Å
559	T	87.6	Confident	89.4	Confident	118 Å²	118	53.7 Å²	53.7	72%	0.724	28%	0.276	S	S	*	.	H	α-helix	trans	-83.8	-27	174.4	71.3	0	0	0	0	113.6	R556 I557	R556-T559 WeakPolarHBondContact O-CA 3.45Å; R556-T559 WeakPolarHBondContact O-CB 3.4Å; R556-T559 PolarHBondContact O-N 3.19Å; R556-T559 PolarHBondContact O-OG1 2.84Å; I557-T559 PolarHBondContact O-N 3.29Å; I557-T559 VanDerWaalsContact O-N 3.12Å
560	T	83.6	Confident	89.3	Confident	38 Å²	38	51.8 Å²	51.8	23%	0.233	27%	0.267	C	S	.	.	H	α-helix	trans	-105.5	-0.2	-176.1	57.9	0	0	0	0	114.1	Y540 R556 I557 K562 S563	Y540-T560 PolarHBondContact OH-OG1 2.78Å; R556-T560 PolarHBondContact O-N 3.46Å; R556-T560 PolarHBondContact O-OG1 3.28Å; I557-T560 WeakPolarHBondContact CA-OG1 3.45Å; I557-T560 CarbonylContact O-C 3.53Å; I557-T560 PolarHBondContact O-N 2.03Å; I557-T560 PolarHBondContact O-OG1 3.24Å; T560-K562 PolarHBondContact O-N 2.99Å; T560-S563 WeakPolarHBondContact O-CB 3.5Å; T560-S563 PolarHBondContact O-N 2.79Å; T560-S563 PolarHBondContact O-OG 2.78Å
561	I	79.2	Confident	89.2	Confident	45 Å²	45	51.8 Å²	51.8	23%	0.231	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-15.3	-173.2	-156.4	166.4	0	0	0	115.2	P411 Q473 I474 I557 S563	P411-I561 HydrophobicContact CB-CD1 3.38Å; P411-I561 HydrophobicContact CG-CD1 3.44Å; P411-I561 VanDerWaalsContact CG-CD1 3.44Å; Q473-I561 HydrophobicContact CB-CD1 3.68Å; Q473-I561 HydrophobicContact CB-CG1 3.83Å; Q473-I561 HydrophobicContact CG-CD1 4.12Å; Q473-I561 HydrophobicContact CG-CG1 4.31Å; I474-I561 HydrophobicContact CD1-CD1 3.92Å; I557-I561 WeakPolarHBondContact O-CB 3.41Å; I557-I561 PolarHBondContact O-N 3.04Å; I561-S563 VanDerWaalsContact C-N 3.27Å
562	K	71.2	Confident	89.1	Confident	199 Å²	199	49.1 Å²	49.1	87%	0.865	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.9	173.7	-64.7	-172.8	179.2	-179	0	113.7	T560 G564	T560-K562 PolarHBondContact O-N 2.99Å; K562-G564 PolarHBondContact O-N 2.76Å
563	S	63.3	Low	89.1	Confident	34 Å²	34	43.7 Å²	43.7	24%	0.238	23%	0.233	C	C	.	.			trans	-54.8	131.7	172.9	-70.2	0	0	0	0	109.9	T560 I561	T560-S563 WeakPolarHBondContact O-CB 3.5Å; T560-S563 PolarHBondContact O-N 2.79Å; T560-S563 PolarHBondContact O-OG 2.78Å; I561-S563 VanDerWaalsContact C-N 3.27Å
564	G	78.2	Confident	89.1	Confident	47 Å²	47	44.3 Å²	44.3	49%	0.485	24%	0.235	S	C	.	.			trans	-68.6	-172.3	-174.5	0	0	0	0	0	113.6	Y538 K562	Y538-G564 VanDerWaalsContact CE1-O 3.27Å; Y538-G564 WeakPolarHBondContact CE1-O 3.47Å; K562-G564 PolarHBondContact O-N 2.76Å
565	S	87.9	Confident	89.1	Confident	77 Å²	77	44.2 Å²	44.2	54%	0.538	24%	0.235	S	C	.	.			trans	-76.9	154.4	169.1	50.1	0	0	0	0	111.6	A492	A492-S565 WeakPolarHBondContact O-CB 3.07Å
566	Y	91.3	Very high	89.2	Confident	7 Å²	7	38.4 Å²	38.4	3%	0.027	21%	0.21	C	C	.	.			trans	-141.9	132.1	170.1	177.6	-114.1	0	0	0	110.8	I491 A492 I534 Y538 P568 T690 P691 S692 P693	I491-Y566 CarbonylContact C-O 3.59Å; I491-Y566 WeakPolarHBondContact CG2-O 3.32Å; I491-Y566 PolarHBondContact O-N 3.33Å; A492-Y566 VanDerWaalsContact CA-O 3.3Å; A492-Y566 WeakPolarHBondContact CA-O 3.3Å; A492-Y566 PolarHBondContact N-O 3Å; I534-Y566 HydrophobicContact CD1-CD1 4.26Å; I534-Y566 HydrophobicContact CD1-CE1 4.25Å; I534-Y566 HydrophobicContact CG1-CD1 4.37Å; I534-Y566 HydrophobicContact CG1-CE1 4.05Å; I534-Y566 HydrophobicContact CG2-CD1 3.87Å; I534-Y566 HydrophobicContact CG2-CE1 4.22Å; Y538-Y566 HydrophobicContact CD2-CD1 4.34Å; Y538-Y566 HydrophobicContact CD2-CG 4.4Å; Y538-Y566 VanDerWaalsContact CE1-CB 3.46Å; Y538-Y566 HydrophobicContact CE1-CG 4.49Å; Y538-Y566 HydrophobicContact CE2-CD1 4.41Å; Y538-Y566 HydrophobicContact CE2-CG 4.11Å; Y566-P568 HydrophobicContact CD1-CG 4.43Å; Y566-P568 HydrophobicContact CE1-CB 4.44Å; Y566-P568 HydrophobicContact CE1-CG 3.76Å; Y566-T690 HydrophobicContact CD2-CG2 4.03Å; Y566-T690 HydrophobicContact CE2-CG2 4.01Å; Y566-P691 VanDerWaalsContact CE2-O 3.31Å; Y566-P691 WeakPolarHBondContact CE2-O 3.5Å; Y566-S692 VanDerWaalsContact OH-CA 3.29Å; Y566-S692 WeakPolarHBondContact OH-CA 3.27Å; Y566-S692 VanDerWaalsContact OH-CB 3.28Å; Y566-S692 WeakPolarHBondContact OH-CB 3.44Å; Y566-P693 HydrophobicContact CE1-CG 4.47Å
567	R	92.2	Very high	89.3	Confident	38 Å²	38	33.9 Å²	33.9	14%	0.143	19%	0.193	C	C	.	.			trans	-130.1	111.6	175.7	177.3	167.7	70.5	165.7	8.8	108.1	D194 T395 A492 H569 T572	D194-R567 IonicContact OD1-CZ 3.74Å; D194-R567 IonicContact OD1-NH1 3.73Å; D194-R567 IonicContact OD1-NH2 2.88Å; D194-R567 PolarHBondContact OD1-NH2 3.24Å; D194-R567 VanDerWaalsContact OD1-NH2 3.08Å; D194-R567 IonicContact OD2-CZ 3.42Å; D194-R567 IonicContact OD2-NH1 2.76Å; D194-R567 PolarHBondContact OD2-NH1 2.98Å; D194-R567 IonicContact OD2-NH2 3.14Å; D194-R567 PolarHBondContact OD2-NH2 2.71Å; T395-R567 PolarHBondContact O-NH1 3.09Å; T395-R567 WeakPolarHBondContact OG1-CD 3.45Å; T395-R567 VanDerWaalsContact OG1-CG 3.28Å; T395-R567 WeakPolarHBondContact OG1-CG 3.27Å; A492-R567 HydrophobicContact CB-CB 4.13Å; R567-H569 PolarHBondContact O-N 2.94Å; R567-T572 HydrophobicContact CG-CG2 3.95Å
568	P	92.2	Very high	89.4	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.019	19%	0.193	C	C	.	.			trans	-58.3	139.7	175.1	-18.4	27.6	0	0	0	110.7	Y529 I534 Y566 E570 F571	Y529-P568 HydrophobicContact CE1-CG 4.34Å; Y529-P568 WeakPolarHBondContact OH-CB 3.39Å; I534-P568 HydrophobicContact CD1-CG 3.76Å; I534-P568 HydrophobicContact CG1-CG 4.24Å; Y566-P568 HydrophobicContact CD1-CG 4.43Å; Y566-P568 HydrophobicContact CE1-CB 4.44Å; Y566-P568 HydrophobicContact CE1-CG 3.76Å; P568-E570 VanDerWaalsContact C-N 3.28Å; P568-E570 HydrophobicContact CB-CG 4.43Å; P568-E570 PolarHBondContact O-N 3.18Å; P568-F571 HydrophobicContact CB-CD2 4.18Å; P568-F571 HydrophobicContact CG-CD2 4.36Å; P568-F571 PolarHBondContact O-N 3.23Å
569	H	92.5	Very high	89.7	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.019	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-56	-40.2	-175	174.2	87.2	0	0	0	113.1	R567 F571 T572 W574 G575 E578 R685 N780	R567-H569 PolarHBondContact O-N 2.94Å; H569-F571 PolarHBondContact O-N 3.22Å; H569-F571 VanDerWaalsContact O-N 3.08Å; H569-T572 WeakPolarHBondContact O-CB 3.39Å; H569-T572 WeakPolarHBondContact O-CG2 3.48Å; H569-T572 PolarHBondContact O-N 3.16Å; H569-T572 PolarHBondContact O-OG1 2.93Å; H569-W574 AromaticContact CE1-CD2 3.48Å; H569-W574 VanDerWaalsContact CE1-CD2 3.48Å; H569-W574 AromaticContact CE1-CE2 3.83Å; H569-W574 AromaticContact CE1-CE3 3.54Å; H569-W574 AromaticContact CE1-CG 3.88Å; H569-W574 AromaticContact CE1-CZ3 3.97Å; H569-W574 AromaticContact ND1-CE3 3.93Å; H569-G575 WeakPolarHBondContact O-CA 3.24Å; H569-E578 IonicContact NE2-OE2 3.57Å; H569-R685 PolarHBondContact CD2-NH2 3.35Å; H569-R685 PolarHBondContact NE2-NH2 3.43Å; H569-N780 HydrophobicContact CB-CB 3.75Å
570	E	93.9	Very high	90.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-62.1	-14.2	178.1	59.5	-168.4	171.6	0	0	115.3	F390 Y529 P568 R579 N780 I782	F390-E570 HydrophobicContact CE1-CB 4.04Å; F390-E570 HydrophobicContact CE1-CG 4.15Å; F390-E570 WeakPolarHBondContact CE1-OE2 3.44Å; F390-E570 HydrophobicContact CZ-CG 4.37Å; Y529-E570 VanDerWaalsContact CE2-OE1 3.24Å; Y529-E570 WeakPolarHBondContact CE2-OE1 3.18Å; Y529-E570 VanDerWaalsContact CZ-OE1 3.29Å; Y529-E570 PolarHBondContact OH-OE1 2.93Å; P568-E570 VanDerWaalsContact C-N 3.28Å; P568-E570 HydrophobicContact CB-CG 4.43Å; P568-E570 PolarHBondContact O-N 3.18Å; E570-R579 PolarHBondContact O-NH1 3Å; E570-R579 PolarHBondContact O-NH2 3Å; E570-N780 VanDerWaalsContact CB-O 3.26Å; E570-N780 WeakPolarHBondContact CB-O 3.27Å; E570-N780 PolarHBondContact N-O 2.9Å; E570-I782 PolarHBondContact OE2-N 2.96Å
571	F	96.1	Very high	90.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-107.2	12.7	174.1	-69.5	-81.9	0	0	0	113.4	F382 F390 F393 V394 T395 L488 Y529 P568 H569	F382-F571 HydrophobicContact CD1-CE1 4.17Å; F382-F571 HydrophobicContact CD1-CE2 4.38Å; F382-F571 AromaticContact CD1-CZ 3.51Å; F382-F571 HydrophobicContact CD1-CZ 3.51Å; F382-F571 AromaticContact CE1-CE1 3.91Å; F382-F571 HydrophobicContact CE1-CE1 3.91Å; F382-F571 HydrophobicContact CE1-CE2 4.49Å; F382-F571 AromaticContact CE1-CZ 3.61Å; F382-F571 HydrophobicContact CE1-CZ 3.61Å; F390-F571 HydrophobicContact CE2-CE1 4.41Å; F390-F571 AromaticContact CE2-CZ 3.99Å; F390-F571 HydrophobicContact CE2-CZ 3.99Å; F390-F571 HydrophobicContact CZ-CE1 4.23Å; F390-F571 HydrophobicContact CZ-CE2 4.07Å; F390-F571 AromaticContact CZ-CZ 3.69Å; F390-F571 HydrophobicContact CZ-CZ 3.69Å; F393-F571 HydrophobicContact CD1-CD1 4.29Å; F393-F571 AromaticContact CD1-CE1 3.88Å; F393-F571 HydrophobicContact CD1-CE1 3.88Å; F393-F571 HydrophobicContact CD2-CD1 4.21Å; F393-F571 HydrophobicContact CE1-CD1 4.15Å; F393-F571 AromaticContact CE1-CE1 3.56Å; F393-F571 HydrophobicContact CE1-CE1 3.56Å; F393-F571 HydrophobicContact CE2-CD1 4.02Å; F393-F571 HydrophobicContact CE2-CE1 4.24Å; F393-F571 HydrophobicContact CG-CD1 4.34Å; F393-F571 HydrophobicContact CG-CE1 4.38Å; F393-F571 AromaticContact CZ-CD1 3.99Å; F393-F571 HydrophobicContact CZ-CD1 3.99Å; F393-F571 AromaticContact CZ-CE1 3.74Å; F393-F571 HydrophobicContact CZ-CE1 3.74Å; F393-F571 WeakPolarHBondContact O-CA 3.03Å; F393-F571 WeakPolarHBondContact O-CD1 3.47Å; V394-F571 WeakPolarHBondContact CA-O 3.41Å; T395-F571 HydrophobicContact CG2-CB 3.81Å; T395-F571 HydrophobicContact CG2-CD1 4.3Å; T395-F571 HydrophobicContact CG2-CG 4.26Å; T395-F571 PolarHBondContact N-O 3.04Å; T395-F571 PolarHBondContact OG1-O 2.77Å; L488-F571 HydrophobicContact CD1-CD1 3.94Å; L488-F571 HydrophobicContact CD1-CD2 3.99Å; L488-F571 HydrophobicContact CD1-CE1 3.94Å; L488-F571 HydrophobicContact CD1-CE2 4.01Å; L488-F571 HydrophobicContact CD1-CG 3.99Å; L488-F571 HydrophobicContact CD1-CZ 3.99Å; Y529-F571 HydrophobicContact CD1-CE2 4.41Å; Y529-F571 HydrophobicContact CE1-CD2 4.27Å; Y529-F571 AromaticContact CE1-CE2 3.67Å; Y529-F571 HydrophobicContact CE1-CE2 3.67Å; Y529-F571 HydrophobicContact CE1-CZ 4.44Å; Y529-F571 AromaticContact CE2-CE2 3.92Å; Y529-F571 HydrophobicContact CE2-CE2 3.92Å; Y529-F571 AromaticContact CZ-CE2 3.4Å; Y529-F571 WeakPolarHBondContact OH-CE2 3.33Å; P568-F571 HydrophobicContact CB-CD2 4.18Å; P568-F571 HydrophobicContact CG-CD2 4.36Å; P568-F571 PolarHBondContact O-N 3.23Å; H569-F571 PolarHBondContact O-N 3.22Å; H569-F571 VanDerWaalsContact O-N 3.08Å
572	T	96.4	Very high	91.5	Very high	12 Å²	12	21 Å²	21	7%	0.074	12%	0.119	C	C	.	.	S	Bend	trans	-89.9	159	169.2	69.5	0	0	0	0	110.2	R567 H569 W574 G575 L576	R567-T572 HydrophobicContact CG-CG2 3.95Å; H569-T572 WeakPolarHBondContact O-CB 3.39Å; H569-T572 WeakPolarHBondContact O-CG2 3.48Å; H569-T572 PolarHBondContact O-N 3.16Å; H569-T572 PolarHBondContact O-OG1 2.93Å; T572-W574 VanDerWaalsContact C-N 3.26Å; T572-W574 PolarHBondContact O-N 3.45Å; T572-G575 PolarHBondContact O-N 2.05Å; T572-G575 PolarHBondContact OG1-N 3.16Å; T572-L576 PolarHBondContact O-N 3.17Å
573	P	97.5	Very high	92.6	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.006	8%	0.08	C	C	.	.	H	α-helix	trans	-55	-41.3	170.1	-26.8	35.7	0	0	0	113.1	D194 W195 V394 I577	D194-P573 HydrophobicContact CB-CG 4.3Å; D194-P573 WeakPolarHBondContact OD2-CG 3.44Å; W195-P573 HydrophobicContact CD2-CB 3.97Å; W195-P573 HydrophobicContact CD2-CG 4.42Å; W195-P573 HydrophobicContact CE3-CB 3.65Å; W195-P573 HydrophobicContact CG-CB 4.46Å; W195-P573 HydrophobicContact CZ3-CB 4.14Å; V394-P573 HydrophobicContact CG1-CG 3.79Å; V394-P573 HydrophobicContact CG2-CG 4.27Å; P573-I577 WeakPolarHBondContact O-CB 3.5Å; P573-I577 WeakPolarHBondContact O-CG1 3.39Å; P573-I577 PolarHBondContact O-N 3.09Å
574	W	96.4	Very high	94.1	Very high	13 Å²	13	11.7 Å²	11.7	5%	0.049	8%	0.075	C	C	.	.	H	α-helix	trans	-60.6	-51.8	176.3	177	14.1	0	0	0	111.4	H201 Y202 H569 T572 L576 I577 E578 Y681 Y684 R685 H688	H201-W574 HydrophobicContact CB-CD2 4.07Å; H201-W574 HydrophobicContact CB-CE3 3.96Å; H201-W574 HydrophobicContact CB-CG 4.46Å; H201-W574 HydrophobicContact CB-CZ3 4.43Å; Y202-W574 VanDerWaalsContact CB-CD1 3.45Å; Y202-W574 AromaticContact CD2-CD1 3.9Å; Y202-W574 AromaticContact CD2-NE1 3.49Å; Y202-W574 AromaticContact CG-CD1 3.82Å; Y202-W574 AromaticContact CG-NE1 3.87Å; H569-W574 AromaticContact CE1-CD2 3.48Å; H569-W574 VanDerWaalsContact CE1-CD2 3.48Å; H569-W574 AromaticContact CE1-CE2 3.83Å; H569-W574 AromaticContact CE1-CE3 3.54Å; H569-W574 AromaticContact CE1-CG 3.88Å; H569-W574 AromaticContact CE1-CZ3 3.97Å; H569-W574 AromaticContact ND1-CE3 3.93Å; T572-W574 VanDerWaalsContact C-N 3.26Å; T572-W574 PolarHBondContact O-N 3.45Å; W574-L576 VanDerWaalsContact C-N 3.33Å; W574-L576 PolarHBondContact O-N 3.19Å; W574-I577 PolarHBondContact O-N 3.21Å; W574-E578 WeakPolarHBondContact O-CB 3.37Å; W574-E578 PolarHBondContact O-N 3.04Å; W574-Y681 HydrophobicContact CZ2-CE2 4.47Å; W574-Y681 PolarHBondContact NE1-OH 3.34Å; W574-Y684 AromaticContact CH2-CD1 3.95Å; W574-Y684 HydrophobicContact CH2-CD1 3.95Å; W574-Y684 AromaticContact CH2-CE1 3.76Å; W574-Y684 HydrophobicContact CH2-CE1 3.76Å; W574-Y684 HydrophobicContact CZ2-CD1 4.11Å; W574-Y684 HydrophobicContact CZ2-CE1 4.04Å; W574-R685 HydrophobicContact CH2-CB 4.41Å; W574-R685 HydrophobicContact CH2-CG 4.33Å; W574-R685 HydrophobicContact CZ2-CB 4.35Å; W574-R685 HydrophobicContact CZ2-CG 4.24Å; W574-H688 HydrophobicContact CH2-CB 4.04Å; W574-H688 HydrophobicContact CZ3-CB 3.96Å
575	G	95.9	Very high	94.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.3	-35.7	-178.1	0	0	0	0	0	113.4	H569 T572 R579 Q781	H569-G575 WeakPolarHBondContact O-CA 3.24Å; T572-G575 PolarHBondContact O-N 2.05Å; T572-G575 PolarHBondContact OG1-N 3.16Å; G575-R579 VanDerWaalsContact O-CB 3.29Å; G575-R579 WeakPolarHBondContact O-CB 3.35Å; G575-R579 PolarHBondContact O-N 2.57Å; G575-R579 VanDerWaalsContact O-N 3.1Å; G575-R579 PolarHBondContact O-NH1 2.78Å; G575-Q781 PolarHBondContact O-NE2 2.82Å
576	L	97.7	Very high	94.4	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.01	6%	0.055	C	C	.	.	H	α-helix	trans	-68.5	-44.2	174.2	178	61.7	0	0	0	111.7	W195 D284 A288 L391 V394 T572 W574 R579 L580	W195-L576 HydrophobicContact CH2-CD2 3.71Å; W195-L576 HydrophobicContact CZ2-CD2 4.48Å; D284-L576 HydrophobicContact CB-CD2 4.01Å; A288-L576 HydrophobicContact CB-CG 4.49Å; L391-L576 HydrophobicContact CD1-CD1 4.26Å; L391-L576 VanDerWaalsContact O-CD1 3.25Å; L391-L576 WeakPolarHBondContact O-CD1 3.45Å; V394-L576 HydrophobicContact CG2-CB 4.39Å; V394-L576 HydrophobicContact CG2-CD2 3.72Å; T572-L576 PolarHBondContact O-N 3.17Å; W574-L576 VanDerWaalsContact C-N 3.33Å; W574-L576 PolarHBondContact O-N 3.19Å; L576-R579 VanDerWaalsContact CD1-NH2 3.29Å; L576-R579 PolarHBondContact O-N 2.92Å; L576-L580 VanDerWaalsContact O-CB 3.25Å; L576-L580 WeakPolarHBondContact O-CB 3.13Å; L576-L580 PolarHBondContact O-N 3.4Å
577	I	97.7	Very high	94.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.4	-44.1	177.1	-69	169.6	0	0	0	111	W195 I199 Y202 A288 I291 L292 P573 W574 N581	W195-I577 HydrophobicContact CE3-CD1 3.86Å; W195-I577 HydrophobicContact CE3-CG1 4.3Å; W195-I577 HydrophobicContact CZ3-CD1 3.88Å; W195-I577 HydrophobicContact CZ3-CG1 3.79Å; I199-I577 HydrophobicContact CB-CD1 4.03Å; I199-I577 HydrophobicContact CD1-CD1 4.33Å; I199-I577 HydrophobicContact CD1-CG2 4.04Å; Y202-I577 HydrophobicContact CD1-CG2 3.61Å; Y202-I577 HydrophobicContact CE1-CG2 3.83Å; A288-I577 HydrophobicContact CB-CG1 4.35Å; I291-I577 HydrophobicContact CD1-CD1 4.42Å; I291-I577 HydrophobicContact CG2-CD1 3.97Å; L292-I577 HydrophobicContact CD2-CG2 3.78Å; L292-I577 HydrophobicContact CG-CG2 4.17Å; P573-I577 WeakPolarHBondContact O-CB 3.5Å; P573-I577 WeakPolarHBondContact O-CG1 3.39Å; P573-I577 PolarHBondContact O-N 3.09Å; W574-I577 PolarHBondContact O-N 3.21Å; I577-N581 WeakPolarHBondContact O-CB 3.42Å; I577-N581 PolarHBondContact O-N 2.86Å
578	E	95.7	Very high	94	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-56.1	-52.9	176.5	175.7	-171	-110	0	0	110.7	Y202 H569 W574 N581 A582 Y681 R685 Q781 L784 L789	Y202-E578 HydrophobicContact CE2-CB 4.33Å; Y202-E578 HydrophobicContact CE2-CG 4.41Å; H569-E578 IonicContact NE2-OE2 3.57Å; W574-E578 WeakPolarHBondContact O-CB 3.37Å; W574-E578 PolarHBondContact O-N 3.04Å; E578-N581 PolarHBondContact O-N 3.15Å; E578-A582 PolarHBondContact O-N 2.94Å; E578-A582 VanDerWaalsContact O-N 3.07Å; E578-Y681 WeakPolarHBondContact OE1-CE1 3.09Å; E578-Y681 VanDerWaalsContact OE1-CZ 3.26Å; E578-Y681 PolarHBondContact OE1-OH 2.87Å; E578-R685 VanDerWaalsContact OE1-CD 3.31Å; E578-R685 WeakPolarHBondContact OE1-CD 3.43Å; E578-R685 IonicContact OE1-NE 3.55Å; E578-R685 PolarHBondContact OE1-NE 3.45Å; E578-R685 IonicContact OE2-NE 3.86Å; E578-R685 PolarHBondContact OE2-NE 2.95Å; E578-R685 IonicContact OE2-NH2 3.76Å; E578-Q781 PolarHBondContact OE2-NE2 2.61Å; E578-L784 HydrophobicContact CG-CD1 3.93Å; E578-L789 HydrophobicContact CG-CD2 4.02Å
579	R	97	Very high	93.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.9	-50.7	179.9	178.3	169.1	62.7	-103.1	2.4	112	F390 L391 E570 G575 L576 N581 A582 Y583 S783	F390-R579 WeakPolarHBondContact O-CD 3.44Å; F390-R579 PolarHBondContact O-NE 3.12Å; L391-R579 VanDerWaalsContact O-CZ 3.23Å; L391-R579 PolarHBondContact O-NE 3.43Å; L391-R579 PolarHBondContact O-NH2 3.43Å; E570-R579 PolarHBondContact O-NH1 3Å; E570-R579 PolarHBondContact O-NH2 3Å; G575-R579 VanDerWaalsContact O-CB 3.29Å; G575-R579 WeakPolarHBondContact O-CB 3.35Å; G575-R579 PolarHBondContact O-N 2.57Å; G575-R579 VanDerWaalsContact O-N 3.1Å; G575-R579 PolarHBondContact O-NH1 2.78Å; L576-R579 VanDerWaalsContact CD1-NH2 3.29Å; L576-R579 PolarHBondContact O-N 2.92Å; R579-N581 PolarHBondContact O-N 2.86Å; R579-A582 WeakPolarHBondContact O-CB 3.38Å; R579-A582 PolarHBondContact O-N 3.23Å; R579-Y583 HydrophobicContact CG-CD2 4.21Å; R579-Y583 HydrophobicContact CG-CE1 4.47Å; R579-Y583 HydrophobicContact CG-CE2 3.44Å; R579-Y583 VanDerWaalsContact CG-CE2 3.44Å; R579-Y583 WeakPolarHBondContact O-CD2 3.29Å; R579-Y583 PolarHBondContact O-N 3.19Å; R579-Y583 VanDerWaalsContact O-N 3.12Å; R579-S783 WeakPolarHBondContact CD-OG 3.44Å
580	L	97.8	Very high	93.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.5	-40.7	-179.1	-175.4	60.2	0	0	0	111.6	L285 A288 L289 L292 L391 L576 A582 Y583 L584	L285-L580 HydrophobicContact CD1-CD1 4.14Å; L285-L580 HydrophobicContact CD1-CD2 3.93Å; A288-L580 HydrophobicContact CB-CD2 3.56Å; L289-L580 HydrophobicContact CD2-CD1 4.39Å; L289-L580 HydrophobicContact CD2-CD2 3.73Å; L289-L580 HydrophobicContact CD2-CG 4.23Å; L289-L580 HydrophobicContact CG-CD2 3.97Å; L292-L580 HydrophobicContact CD1-CB 4.48Å; L292-L580 HydrophobicContact CD1-CD2 4.27Å; L292-L580 HydrophobicContact CD1-CG 4.25Å; L391-L580 HydrophobicContact CD1-CD1 4.3Å; L576-L580 VanDerWaalsContact O-CB 3.25Å; L576-L580 WeakPolarHBondContact O-CB 3.13Å; L576-L580 PolarHBondContact O-N 3.4Å; L580-A582 VanDerWaalsContact C-N 3.31Å; L580-A582 PolarHBondContact O-N 3.45Å; L580-Y583 PolarHBondContact O-N 2.88Å; L580-L584 HydrophobicContact CD1-CG 4.35Å; L580-L584 HydrophobicContact CG-CD1 4.08Å; L580-L584 HydrophobicContact CG-CG 4.38Å; L580-L584 VanDerWaalsContact O-CG 3.28Å; L580-L584 WeakPolarHBondContact O-CG 3.44Å; L580-L584 PolarHBondContact O-N 2.74Å
581	N	96.1	Very high	92.2	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.011	10%	0.103	C	C	.	.	H	α-helix	trans	-60.6	-41.2	176.3	-175.4	66.9	0	0	0	111.9	Y202 F241 R245 L292 I577 E578 R579 L584 T585	Y202-N581 HydrophobicContact CE1-CB 4.38Å; Y202-N581 PolarHBondContact OH-ND2 3.36Å; F241-N581 PolarHBondContact O-ND2 2.81Å; R245-N581 WeakPolarHBondContact CD-OD1 3.46Å; R245-N581 VanDerWaalsContact CZ-OD1 3.24Å; R245-N581 PolarHBondContact NE-OD1 3.22Å; R245-N581 PolarHBondContact NH1-OD1 3.08Å; L292-N581 HydrophobicContact CD1-CB 4.2Å; L292-N581 HydrophobicContact CD2-CB 4.01Å; I577-N581 WeakPolarHBondContact O-CB 3.42Å; I577-N581 PolarHBondContact O-N 2.86Å; E578-N581 PolarHBondContact O-N 3.15Å; R579-N581 PolarHBondContact O-N 2.86Å; N581-L584 PolarHBondContact O-N 3Å; N581-T585 WeakPolarHBondContact O-CB 3.11Å; N581-T585 WeakPolarHBondContact O-CG2 3.03Å; N581-T585 PolarHBondContact O-N 3Å; N581-T585 PolarHBondContact O-OG1 2.83Å
582	A	94.1	Very high	91	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.017	11%	0.111	C	C	.	.	H	α-helix	trans	-61.3	-43.8	174.8	0	0	0	0	0	111.6	E578 R579 L580 T585 R586 W626 L784 L789	E578-A582 PolarHBondContact O-N 2.94Å; E578-A582 VanDerWaalsContact O-N 3.07Å; R579-A582 WeakPolarHBondContact O-CB 3.38Å; R579-A582 PolarHBondContact O-N 3.23Å; L580-A582 VanDerWaalsContact C-N 3.31Å; L580-A582 PolarHBondContact O-N 3.45Å; A582-T585 PolarHBondContact O-N 2.85Å; A582-T585 PolarHBondContact O-OG1 3.49Å; A582-R586 VanDerWaalsContact O-CB 3.27Å; A582-R586 WeakPolarHBondContact O-CB 3.46Å; A582-R586 WeakPolarHBondContact O-CG 3.47Å; A582-R586 PolarHBondContact O-N 2.97Å; A582-W626 HydrophobicContact CB-CZ2 4.35Å; A582-L784 HydrophobicContact CB-CD1 4.25Å; A582-L784 HydrophobicContact CB-CD2 3.63Å; A582-L789 HydrophobicContact CB-CD2 4.44Å
583	Y	95.3	Very high	89.7	Confident	11 Å²	11	20.3 Å²	20.3	4%	0.043	11%	0.112	C	C	.	.	H	α-helix	trans	-61	-47.6	175.7	-60.8	-32.7	0	0	0	112.7	Y379 T389 F390 R579 L580 T585 Q587 W626 S783	Y379-Y583 HydrophobicContact CE1-CD2 4.13Å; Y379-Y583 HydrophobicContact CE1-CE2 4.46Å; T389-Y583 HydrophobicContact CG2-CD1 4.34Å; T389-Y583 HydrophobicContact CG2-CD2 4.06Å; T389-Y583 HydrophobicContact CG2-CE1 3.77Å; T389-Y583 HydrophobicContact CG2-CE2 3.43Å; T389-Y583 VanDerWaalsContact CG2-CE2 3.43Å; T389-Y583 HydrophobicContact CG2-CG 4.47Å; T389-Y583 WeakPolarHBondContact CG2-OH 3.34Å; F390-Y583 PolarHBondContact O-OH 3.43Å; R579-Y583 HydrophobicContact CG-CD2 4.21Å; R579-Y583 HydrophobicContact CG-CE1 4.47Å; R579-Y583 HydrophobicContact CG-CE2 3.44Å; R579-Y583 VanDerWaalsContact CG-CE2 3.44Å; R579-Y583 WeakPolarHBondContact O-CD2 3.29Å; R579-Y583 PolarHBondContact O-N 3.19Å; R579-Y583 VanDerWaalsContact O-N 3.12Å; L580-Y583 PolarHBondContact O-N 2.88Å; Y583-T585 VanDerWaalsContact C-N 3.26Å; Y583-T585 PolarHBondContact O-N 2.78Å; Y583-Q587 WeakPolarHBondContact O-CB 3.21Å; Y583-Q587 PolarHBondContact O-N 3.19Å; Y583-W626 AromaticContact CD1-CH2 3.74Å; Y583-W626 HydrophobicContact CD1-CH2 3.74Å; Y583-W626 HydrophobicContact CD1-CZ3 4.16Å; Y583-W626 AromaticContact CE1-CH2 3.81Å; Y583-W626 HydrophobicContact CE1-CH2 3.81Å; Y583-W626 HydrophobicContact CE1-CZ3 4.36Å; Y583-S783 WeakPolarHBondContact OH-CB 3.04Å; Y583-S783 PolarHBondContact OH-OG 2.86Å
584	L	93.2	Very high	88.8	Confident	26 Å²	26	21.9 Å²	21.9	14%	0.136	12%	0.119	C	C	.	.	H	α-helix	trans	-65.5	-28.9	-178.2	-64.6	172.7	0	0	0	113.1	L248 I250 L289 L292 H294 L326 L580 N581	L248-L584 HydrophobicContact CD1-CB 4.3Å; L248-L584 HydrophobicContact CD1-CD2 4.07Å; I250-L584 HydrophobicContact CD1-CD2 4.35Å; L289-L584 HydrophobicContact CD2-CD1 3.65Å; L289-L584 HydrophobicContact CD2-CD2 4.16Å; L289-L584 HydrophobicContact CD2-CG 4.46Å; L292-L584 HydrophobicContact CD1-CD1 3.89Å; H294-L584 WeakPolarHBondContact NE2-CD1 3.28Å; L326-L584 HydrophobicContact CD1-CD2 3.45Å; L326-L584 VanDerWaalsContact CD1-CD2 3.45Å; L580-L584 HydrophobicContact CD1-CG 4.35Å; L580-L584 HydrophobicContact CG-CD1 4.08Å; L580-L584 HydrophobicContact CG-CG 4.38Å; L580-L584 VanDerWaalsContact O-CG 3.28Å; L580-L584 WeakPolarHBondContact O-CG 3.44Å; L580-L584 PolarHBondContact O-N 2.74Å; N581-L584 PolarHBondContact O-N 3Å
585	T	87.3	Confident	87.6	Confident	39 Å²	39	24.1 Å²	24.1	24%	0.239	13%	0.128	C	C	.	.	H	α-helix	trans	-98.1	-24.9	-176.1	54	0	0	0	0	114.1	F241 R245 N581 A582 Y583	F241-T585 HydrophobicContact CD1-CG2 4Å; R245-T585 HydrophobicContact CG-CG2 3.8Å; N581-T585 WeakPolarHBondContact O-CB 3.11Å; N581-T585 WeakPolarHBondContact O-CG2 3.03Å; N581-T585 PolarHBondContact O-N 3Å; N581-T585 PolarHBondContact O-OG1 2.83Å; A582-T585 PolarHBondContact O-N 2.85Å; A582-T585 PolarHBondContact O-OG1 3.49Å; Y583-T585 VanDerWaalsContact C-N 3.26Å; Y583-T585 PolarHBondContact O-N 2.78Å
586	R	87	Confident	86.1	Confident	94 Å²	94	26 Å²	26	36%	0.355	14%	0.136	S	C	.	.	H	α-helix	trans	-121.7	-33.5	-171.5	-50.9	-63.5	-164.6	-178.8	2.6	114.4	A582 N588 W626 L789	A582-R586 VanDerWaalsContact O-CB 3.27Å; A582-R586 WeakPolarHBondContact O-CB 3.46Å; A582-R586 WeakPolarHBondContact O-CG 3.47Å; A582-R586 PolarHBondContact O-N 2.97Å; R586-N588 PolarHBondContact O-N 3.27Å; R586-W626 HydrophobicContact CB-CB 4.18Å; R586-W626 VanDerWaalsContact CB-CD1 3.43Å; R586-W626 HydrophobicContact CB-CD2 3.71Å; R586-W626 HydrophobicContact CB-CG 3.51Å; R586-W626 HydrophobicContact CB-CZ2 4.5Å; R586-W626 HydrophobicContact CG-CG 4.44Å; R586-L789 PolarHBondContact NE-OXT 3.28Å; R586-L789 PolarHBondContact NH2-OXT 2.94Å
587	Q	88.7	Confident	84.2	Confident	13 Å²	13	31.4 Å²	31.4	6%	0.061	17%	0.165	C	C	.	.			trans	-82.1	85.1	-173	-166.5	-168.1	49.8	0	0	111.5	R350 Y379 T389 Y583 I589 W626	R350-Q587 PolarHBondContact NH2-O 3.45Å; Y379-Q587 PolarHBondContact OH-OE1 3.07Å; T389-Q587 PolarHBondContact OG1-NE2 3.22Å; T389-Q587 VanDerWaalsContact OG1-NE2 3.12Å; Y583-Q587 WeakPolarHBondContact O-CB 3.21Å; Y583-Q587 PolarHBondContact O-N 3.19Å; Q587-I589 HydrophobicContact CG-CG1 4.14Å; Q587-I589 PolarHBondContact O-N 3.09Å; Q587-W626 HydrophobicContact CB-CE3 3.98Å; Q587-W626 HydrophobicContact CB-CZ3 3.89Å; Q587-W626 HydrophobicContact CG-CE3 4.2Å; Q587-W626 HydrophobicContact CG-CZ3 4.04Å
588	N	86.2	Confident	82.1	Confident	90 Å²	90	34.1 Å²	34.1	48%	0.481	18%	0.179	S	C	.	.			trans	-93.7	87.3	177.2	-171.3	-12	0	0	0	112.1	R586 C590 A591	R586-N588 PolarHBondContact O-N 3.27Å; N588-C590 VanDerWaalsContact C-N 3.27Å; N588-C590 PolarHBondContact O-N 3.39Å; N588-C590 WeakPolarHBondContact OD1-CB 3.15Å; N588-C590 PolarHBondContact OD1-N 2.89Å; N588-A591 HydrophobicContact CB-CB 4.13Å; N588-A591 PolarHBondContact O-N 2.9Å; N588-A591 PolarHBondContact OD1-N 3.13Å; N588-A591 VanDerWaalsContact OD1-N 3.09Å
589	I	87.7	Confident	80.1	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-64.2	-31.3	179.3	-59.2	-175.9	0	0	0	112	C347 N374 Q376 Q377 Q587 A591 T592 Y595	C347-I589 HydrophobicContact CB-CG2 4.19Å; N374-I589 HydrophobicContact CB-CG2 4.13Å; Q376-I589 HydrophobicContact CB-CD1 4.31Å; Q377-I589 HydrophobicContact CG-CD1 3.45Å; Q377-I589 VanDerWaalsContact CG-CD1 3.45Å; Q377-I589 HydrophobicContact CG-CG2 4.01Å; Q587-I589 HydrophobicContact CG-CG1 4.14Å; Q587-I589 PolarHBondContact O-N 3.09Å; I589-A591 VanDerWaalsContact C-N 3.27Å; I589-A591 PolarHBondContact O-N 3.41Å; I589-T592 WeakPolarHBondContact O-CB 3.29Å; I589-T592 WeakPolarHBondContact O-CG2 3.3Å; I589-T592 PolarHBondContact O-N 3.31Å; I589-T592 VanDerWaalsContact O-N 3.16Å; I589-T592 PolarHBondContact O-OG1 3.06Å; I589-Y595 HydrophobicContact CG2-CD2 4.22Å; I589-Y595 HydrophobicContact CG2-CE2 3.79Å
590	C	79.4	Confident	77.4	Confident	50 Å²	50	41 Å²	41	34%	0.338	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-68.2	-26.4	178.3	-60.9	0	0	0	0	112.9	C347 N588 T592	C347-C590 HydrophobicContact CB-CB 3.81Å; C347-C590 WeakPolarHBondContact CB-SG 3.24Å; C347-C590 WeakPolarHBondContact SG-CA 3.5Å; C347-C590 WeakPolarHBondContact SG-CB 3.32Å; C347-C590 CovalentContact SG-SG 2.03Å; C347-C590 PolarHBondContact SG-SG 2.8Å; N588-C590 VanDerWaalsContact C-N 3.27Å; N588-C590 PolarHBondContact O-N 3.39Å; N588-C590 WeakPolarHBondContact OD1-CB 3.15Å; N588-C590 PolarHBondContact OD1-N 2.89Å; C590-T592 VanDerWaalsContact C-N 3.32Å
591	A	72.7	Confident	74.3	Confident	42 Å²	42	44.1 Å²	44.1	35%	0.347	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-79.2	-14.6	175.3	0	0	0	0	0	113.3	N588 I589 K596	N588-A591 HydrophobicContact CB-CB 4.13Å; N588-A591 PolarHBondContact O-N 2.9Å; N588-A591 PolarHBondContact OD1-N 3.13Å; N588-A591 VanDerWaalsContact OD1-N 3.09Å; I589-A591 VanDerWaalsContact C-N 3.27Å; I589-A591 PolarHBondContact O-N 3.41Å; A591-K596 WeakPolarHBondContact O-CE 3.02Å; A591-K596 PolarHBondContact O-NZ 3.16Å
592	T	72.2	Confident	71.8	Confident	28 Å²	28	45.9 Å²	45.9	17%	0.172	25%	0.246	C	C	.	.	S	Bend	trans	-66.1	151.4	-174.6	66.9	0	0	0	0	112.6	I589 C590 F594	I589-T592 WeakPolarHBondContact O-CB 3.29Å; I589-T592 WeakPolarHBondContact O-CG2 3.3Å; I589-T592 PolarHBondContact O-N 3.31Å; I589-T592 VanDerWaalsContact O-N 3.16Å; I589-T592 PolarHBondContact O-OG1 3.06Å; C590-T592 VanDerWaalsContact C-N 3.32Å; T592-F594 PolarHBondContact O-N 2.91Å; T592-F594 VanDerWaalsContact O-N 3.16Å
593	P	68.1	Low	68.8	Low	14 Å²	14	50 Å²	50	9%	0.091	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.6	175.5	-26.7	36.3	0	0	0	114.7	Y595 K596 N597 L598 P709 H751	P593-Y595 PolarHBondContact O-N 2.9Å; P593-K596 PolarHBondContact O-N 2.85Å; P593-N597 PolarHBondContact O-N 2.97Å; P593-L598 PolarHBondContact O-N 3.19Å; P593-P709 HydrophobicContact CG-CB 4.46Å; P593-P709 HydrophobicContact CG-CG 4.36Å; P593-H751 WeakPolarHBondContact CB-NE2 3.39Å
594	F	78.1	Confident	65.6	Low	33 Å²	33	56.8 Å²	56.8	15%	0.145	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-55.1	-177.7	-177.3	-85.4	0	0	0	112.1	L373 N374 T592 K596 N597 H751 E752	L373-F594 VanDerWaalsContact C-CZ 3.41Å; L373-F594 WeakPolarHBondContact O-CZ 3.26Å; N374-F594 HydrophobicContact CB-CD1 3.89Å; N374-F594 HydrophobicContact CB-CD2 4.24Å; N374-F594 HydrophobicContact CB-CE1 4.15Å; N374-F594 HydrophobicContact CB-CE2 4.47Å; N374-F594 HydrophobicContact CB-CG 3.96Å; N374-F594 HydrophobicContact CB-CZ 4.44Å; T592-F594 PolarHBondContact O-N 2.91Å; T592-F594 VanDerWaalsContact O-N 3.16Å; F594-K596 VanDerWaalsContact C-N 3.31Å; F594-K596 PolarHBondContact O-N 2.84Å; F594-N597 PolarHBondContact O-N 3.44Å; F594-H751 HydrophobicContact CD2-CB 3.85Å; F594-E752 HydrophobicContact CE2-CB 4.14Å; F594-E752 HydrophobicContact CE2-CG 4.16Å; F594-E752 HydrophobicContact CZ-CG 4.3Å
595	Y	71.5	Confident	62.6	Low	60 Å²	60	61 Å²	61	24%	0.235	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-13.2	-177.9	-74.1	-67.3	0	0	0	114.1	L346 C347 L373 N374 Q377 I589 P593 N597	L346-Y595 HydrophobicContact CB-CE1 3.81Å; L346-Y595 HydrophobicContact CD1-CE1 4.45Å; C347-Y595 HydrophobicContact CB-CD2 3.49Å; C347-Y595 VanDerWaalsContact CB-CD2 3.49Å; C347-Y595 HydrophobicContact CB-CE2 3.55Å; C347-Y595 HydrophobicContact CB-CG 4.15Å; L373-Y595 WeakPolarHBondContact CD2-OH 3.43Å; N374-Y595 HydrophobicContact CB-CE2 4.07Å; Q377-Y595 VanDerWaalsContact OE1-CZ 3.3Å; Q377-Y595 PolarHBondContact OE1-OH 3.36Å; I589-Y595 HydrophobicContact CG2-CD2 4.22Å; I589-Y595 HydrophobicContact CG2-CE2 3.79Å; P593-Y595 PolarHBondContact O-N 2.9Å; Y595-N597 VanDerWaalsContact C-N 3.29Å
596	K	63.9	Low	59.8	Low	40 Å²	40	63.2 Å²	63.2	17%	0.174	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-4	175.3	-61.7	175.7	178.3	170.9	0	112.1	G99 A591 P593 F594 L598	G99-K596 WeakPolarHBondContact O-CE 3.4Å; G99-K596 PolarHBondContact O-NZ 3.33Å; A591-K596 WeakPolarHBondContact O-CE 3.02Å; A591-K596 PolarHBondContact O-NZ 3.16Å; P593-K596 PolarHBondContact O-N 2.85Å; F594-K596 VanDerWaalsContact C-N 3.31Å; F594-K596 PolarHBondContact O-N 2.84Å; K596-L598 HydrophobicContact CB-CB 4.26Å; K596-L598 HydrophobicContact CB-CD1 3.7Å; K596-L598 HydrophobicContact CB-CG 3.7Å; K596-L598 HydrophobicContact CD-CD1 3.97Å; K596-L598 HydrophobicContact CG-CD1 4.46Å; K596-L598 PolarHBondContact O-N 3.11Å
597	N	58.5	Low	57.1	Low	116 Å²	116	66.5 Å²	66.5	62%	0.62	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	21.2	-171	-65.3	-39.8	0	0	0	113.6	P593 F594 Y595 I599	P593-N597 PolarHBondContact O-N 2.97Å; F594-N597 PolarHBondContact O-N 3.44Å; Y595-N597 VanDerWaalsContact C-N 3.29Å; N597-I599 VanDerWaalsContact C-N 3.32Å; N597-I599 PolarHBondContact O-N 3.15Å
598	L	53.5	Low	54.6	Low	57 Å²	57	70.4 Å²	70.4	30%	0.298	40%	0.397	S	S	.	.			trans	-83.8	77.6	-177.6	-69.4	174.4	0	0	0	108.9	P593 K596 H751	P593-L598 PolarHBondContact O-N 3.19Å; K596-L598 HydrophobicContact CB-CB 4.26Å; K596-L598 HydrophobicContact CB-CD1 3.7Å; K596-L598 HydrophobicContact CB-CG 3.7Å; K596-L598 HydrophobicContact CD-CD1 3.97Å; K596-L598 HydrophobicContact CG-CD1 4.46Å; K596-L598 PolarHBondContact O-N 3.11Å; L598-H751 VanDerWaalsContact C-NE2 3.33Å; L598-H751 PolarHBondContact O-NE2 2.85Å
599	I	53.9	Low	52.3	Low	37 Å²	37	73.9 Å²	73.9	19%	0.19	42%	0.415	C	S	.	.	S	Bend	trans	-89	-23	175.7	-58.2	147.4	0	0	0	110.1	N597 A749 H751	N597-I599 VanDerWaalsContact C-N 3.32Å; N597-I599 PolarHBondContact O-N 3.15Å; I599-A749 WeakPolarHBondContact CD1-O 3.33Å; I599-H751 WeakPolarHBondContact CA-NE2 3.19Å; I599-H751 HydrophobicContact CG1-CB 4.43Å; I599-H751 WeakPolarHBondContact CG1-CD2 3.38Å; I599-H751 WeakPolarHBondContact CG1-NE2 3.43Å
600	Q	41.3	Very low	49.8	Very low	107 Å²	107	76.7 Å²	76.7	50%	0.5	44%	0.438	S	S	.	.			trans	-152.5	142.1	-171.5	-70	173.8	-17.4	0	0	111.7	Y729	Q600-Y729 HydrophobicContact CG-CE1 4.18Å; Q600-Y729 VanDerWaalsContact NE2-CG 3.3Å
601	S	32.5	Very low	47.6	Very low	66 Å²	66	79.9 Å²	79.9	46%	0.462	46%	0.459	S	S	.	.			trans	-124.8	147.8	142.1	-117.5	0	0	0	0	106.7	L617 V619	S601-L617 CarbonylContact C-O 3.34Å; S601-L617 VanDerWaalsContact O-O 3.09Å; S601-V619 VanDerWaalsContact CB-CG2 3.5Å
602	P	41.8	Very low	45.4	Very low	39 Å²	39	83 Å²	83	25%	0.253	48%	0.478	S	S	.	.			cis	-131.4	-177.8	23.4	49.3	-40.5	0	0	0	115.4	L617	P602-L617 HydrophobicContact CB-CB 3.72Å; P602-L617 HydrophobicContact CB-CD1 4.19Å; P602-L617 VanDerWaalsContact CD-O 3.29Å; P602-L617 WeakPolarHBondContact CD-O 3.38Å; P602-L617 HydrophobicContact CG-CB 3.54Å; P602-L617 HydrophobicContact CG-CD1 4.06Å; P602-L617 HydrophobicContact CG-CG 4.27Å; P602-L617 VanDerWaalsContact CG-N 3.25Å
603	M	31.2	Very low	43.2	Very low	87 Å²	87	87 Å²	87	43%	0.429	50%	0.502	S	S	.	.			trans	-14.4	132.8	151.1	-71.8	169.4	59.7	0	0	116.6	Q66 I605	Q66-M603 HydrophobicContact CB-CE 4.03Å; Q66-M603 HydrophobicContact CG-CE 3.5Å; Q66-M603 VanDerWaalsContact CG-CE 3.5Å; Q66-M603 HydrophobicContact CG-CG 3.87Å; Q66-M603 HydrophobicContact CG-SD 3.79Å; M603-I605 PolarHBondContact O-N 2.89Å
604	L	28.7	Very low	41.6	Very low	155 Å²	155	95 Å²	95	81%	0.812	54%	0.536	S	S	*	.			trans	-54.9	106.7	149	-90.8	152.1	0	0	0	108.6	A606	L604-A606 VanDerWaalsContact C-N 3.33Å; L604-A606 PolarHBondContact O-N 3.29Å
605	I	29.9	Very low	39.2	Very low	113 Å²	113	99.6 Å²	99.6	58%	0.579	56%	0.562	S	S	*	*			trans	-90.1	83.5	155.7	-54.5	177.8	0	0	0	105.9	M603 K607 L617	M603-I605 PolarHBondContact O-N 2.89Å; I605-K607 HydrophobicContact CG2-CG 4.48Å; I605-K607 PolarHBondContact O-N 3.26Å; I605-K607 VanDerWaalsContact O-N 3.16Å; I605-L617 HydrophobicContact CD1-CD1 4.03Å
606	A	28.4	Very low	37.5	Very low	86 Å²	86	98.4 Å²	98.4	71%	0.711	56%	0.56	S	S	*	*			trans	-70.2	103.3	162.3	0	0	0	0	0	107.5	L604	L604-A606 VanDerWaalsContact C-N 3.33Å; L604-A606 PolarHBondContact O-N 3.29Å
607	K	31	Very low	35.9	Very low	164 Å²	164	101.3 Å²	101.3	71%	0.713	58%	0.577	S	S	*	*			trans	-76.2	124.6	157	-83.7	-172.3	175	-177.4	0	106.9	I605 D609	I605-K607 HydrophobicContact CG2-CG 4.48Å; I605-K607 PolarHBondContact O-N 3.26Å; I605-K607 VanDerWaalsContact O-N 3.16Å; K607-D609 PolarHBondContact O-N 2.89Å
608	A	35.4	Very low	35.1	Very low	95 Å²	95	97 Å²	97	79%	0.785	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-15.2	-171.1	0	0	0	0	0	115.3
609	D	38.6	Very low	34.3	Very low	163 Å²	163	97.2 Å²	97.2	87%	0.872	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.5	28	-169.9	-59.4	-53.3	0	0	0	114.8	K607	K607-D609 PolarHBondContact O-N 2.89Å
610	A	34.9	Very low	33.7	Very low	58 Å²	58	100.8 Å²	100.8	48%	0.479	58%	0.583	S	S	.	*	S	Bend	trans	-137.8	143.8	175.1	0	0	0	0	0	112.1	S612	A610-S612 PolarHBondContact O-N 3.37Å
611	P	32.5	Very low	33.7	Very low	118 Å²	118	97.1 Å²	97.1	77%	0.766	57%	0.574	S	S	*	*			trans	-58.7	131.2	174.9	26.5	-33.6	0	0	0	109.2	T613	P611-T613 PolarHBondContact O-N 2.59Å
612	S	26.9	Very low	34.6	Very low	108 Å²	108	95.5 Å²	95.5	76%	0.755	56%	0.561	S	S	*	*			trans	-54.6	97.6	-170.4	52.5	0	0	0	0	112.7	A610	A610-S612 PolarHBondContact O-N 3.37Å
613	T	27.2	Very low	35.3	Very low	111 Å²	111	98.5 Å²	98.5	68%	0.681	58%	0.583	S	S	*	*			trans	-88	114.5	164.6	35.8	0	0	0	0	108.5	P611 N615	P611-T613 PolarHBondContact O-N 2.59Å; T613-N615 PolarHBondContact O-N 3.14Å
614	F	33.8	Very low	37.1	Very low	183 Å²	183	95.5 Å²	95.5	80%	0.803	57%	0.569	S	S	*	*			trans	-63.8	98.4	174.7	-71	-90.2	0	0	0	109.8
615	N	27.5	Very low	39.2	Very low	129 Å²	129	92.4 Å²	92.4	69%	0.69	56%	0.561	S	S	*	*			trans	-97.1	92.5	168.2	-78.1	-16.5	0	0	0	108.8	T613 L617	T613-N615 PolarHBondContact O-N 3.14Å; N615-L617 PolarHBondContact O-N 3.03Å; N615-L617 VanDerWaalsContact O-N 3.09Å
616	N	35.8	Very low	41.7	Very low	34 Å²	34	88.1 Å²	88.1	18%	0.182	54%	0.538	C	S	.	.			trans	-67.5	102.8	170	-61.7	-14.2	0	0	0	108.8	D618 R714 Y729	N616-D618 PolarHBondContact O-N 3.49Å; N616-R714 PolarHBondContact O-NH2 3.17Å; N616-Y729 PolarHBondContact ND2-OH 2.67Å
617	L	31.4	Very low	44.6	Very low	102 Å²	102	84.1 Å²	84.1	53%	0.534	50%	0.504	S	S	.	.			trans	-68.5	90.8	154.4	-66.3	136.6	0	0	0	107.7	S601 P602 I605 N615 V619	S601-L617 CarbonylContact C-O 3.34Å; S601-L617 VanDerWaalsContact O-O 3.09Å; P602-L617 HydrophobicContact CB-CB 3.72Å; P602-L617 HydrophobicContact CB-CD1 4.19Å; P602-L617 VanDerWaalsContact CD-O 3.29Å; P602-L617 WeakPolarHBondContact CD-O 3.38Å; P602-L617 HydrophobicContact CG-CB 3.54Å; P602-L617 HydrophobicContact CG-CD1 4.06Å; P602-L617 HydrophobicContact CG-CG 4.27Å; P602-L617 VanDerWaalsContact CG-N 3.25Å; I605-L617 HydrophobicContact CD1-CD1 4.03Å; N615-L617 PolarHBondContact O-N 3.03Å; N615-L617 VanDerWaalsContact O-N 3.09Å; L617-V619 PolarHBondContact O-N 3.37Å
618	D	41.5	Very low	47	Very low	24 Å²	24	77.7 Å²	77.7	13%	0.128	48%	0.479	C	S	.	.			trans	-60.4	93.6	170.9	-73.3	-39.8	0	0	0	109.3	N616 H713 R714 L715	N616-D618 PolarHBondContact O-N 3.49Å; D618-H713 WeakPolarHBondContact CB-NE2 3.06Å; D618-H713 IonicContact OD1-NE2 3.32Å; D618-R714 IonicContact OD2-CZ 2.67Å; D618-R714 IonicContact OD2-NE 3.55Å; D618-R714 PolarHBondContact OD2-NE 3.26Å; D618-R714 IonicContact OD2-NH2 3.44Å; D618-R714 PolarHBondContact OD2-NH2 3.25Å; D618-L715 HydrophobicContact CB-CD1 3.52Å; D618-L715 HydrophobicContact CB-CG 3.79Å; D618-L715 WeakPolarHBondContact OD2-CG 3.18Å
619	V	35.4	Very low	48.9	Very low	62 Å²	62	79.9 Å²	79.9	38%	0.376	47%	0.473	S	S	.	.			trans	-80.9	133.2	179.4	177.8	0	0	0	0	110.2	S601 L617 G621	S601-V619 VanDerWaalsContact CB-CG2 3.5Å; L617-V619 PolarHBondContact O-N 3.37Å; V619-G621 PolarHBondContact O-N 3.05Å
620	P	41.6	Very low	50.6	Low	113 Å²	113	76 Å²	76	73%	0.734	46%	0.459	S	S	*	.	S	Bend	trans	-65.7	15.4	-176.9	-19.6	31.6	0	0	0	117.2	T622	P620-T622 VanDerWaalsContact C-N 3.3Å; P620-T622 PolarHBondContact O-N 3.37Å
621	G	41.9	Very low	52.6	Low	30 Å²	30	73.4 Å²	73.4	31%	0.309	44%	0.437	S	S	.	.			trans	-79.1	2.6	-168.4	0	0	0	0	0	116.4	V619	V619-G621 PolarHBondContact O-N 3.05Å
622	T	51.5	Low	54.9	Low	31 Å²	31	68.8 Å²	68.8	19%	0.19	41%	0.406	C	S	.	.			trans	-101	31.6	-176	59.6	0	0	0	0	113.1	P620 V624	P620-T622 VanDerWaalsContact C-N 3.3Å; P620-T622 PolarHBondContact O-N 3.37Å; T622-V624 PolarHBondContact O-N 2.7Å
623	S	55.5	Low	57.5	Low	102 Å²	102	66.4 Å²	66.4	71%	0.713	38%	0.382	S	S	*	.			trans	-74	114.2	-178.5	59.9	0	0	0	0	111
624	V	70.8	Confident	60.1	Low	24 Å²	24	62.3 Å²	62.3	15%	0.145	36%	0.356	C	S	.	.			trans	-78.3	118.3	169.8	176.7	0	0	0	0	106.7	T622 E706	T622-V624 PolarHBondContact O-N 2.7Å; V624-E706 HydrophobicContact CG1-CB 3.82Å; V624-E706 WeakPolarHBondContact CG2-O 3.24Å
625	S	71.2	Confident	62.5	Low	91 Å²	91	53.8 Å²	53.8	64%	0.636	32%	0.318	S	S	*	.			trans	-85.3	-28	-176.1	57.8	0	0	0	0	113.4
626	W	83.9	Confident	65.3	Low	23 Å²	23	51 Å²	51	9%	0.087	30%	0.303	C	S	.	.	S	Bend	trans	-150	133.3	-178.9	-169.1	85.6	0	0	0	112	A582 Y583 R586 Q587 L784 C788	A582-W626 HydrophobicContact CB-CZ2 4.35Å; Y583-W626 AromaticContact CD1-CH2 3.74Å; Y583-W626 HydrophobicContact CD1-CH2 3.74Å; Y583-W626 HydrophobicContact CD1-CZ3 4.16Å; Y583-W626 AromaticContact CE1-CH2 3.81Å; Y583-W626 HydrophobicContact CE1-CH2 3.81Å; Y583-W626 HydrophobicContact CE1-CZ3 4.36Å; R586-W626 HydrophobicContact CB-CB 4.18Å; R586-W626 VanDerWaalsContact CB-CD1 3.43Å; R586-W626 HydrophobicContact CB-CD2 3.71Å; R586-W626 HydrophobicContact CB-CG 3.51Å; R586-W626 HydrophobicContact CB-CZ2 4.5Å; R586-W626 HydrophobicContact CG-CG 4.44Å; Q587-W626 HydrophobicContact CB-CE3 3.98Å; Q587-W626 HydrophobicContact CB-CZ3 3.89Å; Q587-W626 HydrophobicContact CG-CE3 4.2Å; Q587-W626 HydrophobicContact CG-CZ3 4.04Å; W626-L784 HydrophobicContact CH2-CD2 4.27Å; W626-L784 HydrophobicContact CZ2-CD2 3.96Å; W626-C788 HydrophobicContact CZ2-CB 4.02Å; W626-C788 PolarHBondContact NE1-O 3.09Å
627	P	88.2	Confident	67.7	Low	1 Å²	1	49.4 Å²	49.4	1%	0.006	30%	0.295	C	S	.	.	S	Bend	cis	-48.7	151.1	-11.5	-30.2	37.9	0	0	0	113.2	E706 H707	P627-E706 VanDerWaalsContact CD-CG 3.47Å; P627-H707 PolarHBondContact O-CE1 3.01Å; P627-H707 VanDerWaalsContact O-CE1 3.26Å; P627-H707 PolarHBondContact O-NE2 3.48Å
628	P	80.5	Confident	70.2	Confident	30 Å²	30	46.6 Å²	46.6	20%	0.195	28%	0.284	C	S	.	.			trans	-71.6	148.1	179.9	29.4	-34.5	0	0	0	110.2	S630 S631 N787	P628-S630 PolarHBondContact O-N 3.33Å; P628-S631 WeakPolarHBondContact O-CB 3.25Å; P628-S631 PolarHBondContact O-N 3.25Å; P628-S631 PolarHBondContact O-OG 2.82Å; P628-N787 HydrophobicContact CG-CB 3.76Å; P628-N787 WeakPolarHBondContact CG-O 3.15Å
629	E	76.2	Confident	72.2	Confident	141 Å²	141	51.7 Å²	51.7	66%	0.659	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-53.7	-27.5	177.2	-173.3	176.9	-176.1	0	0	113	S631 L632	E629-S631 PolarHBondContact O-N 2.93Å; E629-S631 VanDerWaalsContact O-N 3.16Å; E629-L632 VanDerWaalsContact O-CB 3.25Å; E629-L632 WeakPolarHBondContact O-CB 3.1Å; E629-L632 PolarHBondContact O-N 2.99Å
630	S	73.6	Confident	74.6	Confident	81 Å²	81	49.5 Å²	49.5	57%	0.566	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-61.7	-20.7	175.5	61.3	0	0	0	0	114.5	P628 N787	P628-S630 PolarHBondContact O-N 3.33Å; S630-N787 WeakPolarHBondContact CB-ND2 3.34Å; S630-N787 PolarHBondContact OG-ND2 2.75Å
631	S	78.5	Confident	76.8	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.028	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-89.9	-12.4	173.9	68.2	0	0	0	0	113.5	P628 E629 R775 D776 C785	P628-S631 WeakPolarHBondContact O-CB 3.25Å; P628-S631 PolarHBondContact O-N 3.25Å; P628-S631 PolarHBondContact O-OG 2.82Å; E629-S631 PolarHBondContact O-N 2.93Å; E629-S631 VanDerWaalsContact O-N 3.16Å; S631-R775 WeakPolarHBondContact O-CA 3.47Å; S631-D776 WeakPolarHBondContact CB-OD1 3.48Å; S631-C785 WeakPolarHBondContact CB-SG 3.36Å; S631-C785 PolarHBondContact OG-SG 2.88Å
632	L	81	Confident	79.3	Confident	20 Å²	20	48.3 Å²	48.3	11%	0.105	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	135.8	-172	-172.5	66.3	0	0	0	111.4	E629 I634 H707 P773 C774	E629-L632 VanDerWaalsContact O-CB 3.25Å; E629-L632 WeakPolarHBondContact O-CB 3.1Å; E629-L632 PolarHBondContact O-N 2.99Å; L632-I634 HydrophobicContact CD2-CD1 3.84Å; L632-I634 HydrophobicContact CD2-CG1 3.97Å; L632-I634 HydrophobicContact CG-CD1 4.42Å; L632-I634 HydrophobicContact CG-CG1 4.03Å; L632-H707 HydrophobicContact CD1-CB 3.6Å; L632-H707 HydrophobicContact CD2-CB 3.97Å; L632-H707 HydrophobicContact CG-CB 4.45Å; L632-P773 HydrophobicContact CD1-CB 3.75Å; L632-C774 CarbonylContact C-O 3.45Å; L632-C774 WeakPolarHBondContact CA-O 3.15Å
633	K	80.2	Confident	81.3	Confident	59 Å²	59	46.8 Å²	46.8	26%	0.257	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.7	166.9	-63.5	-61	-179.4	-175.7	0	107.8	L659 F701 C774	K633-L659 HydrophobicContact CD-CD2 4.38Å; K633-F701 HydrophobicContact CB-CD1 4.43Å; K633-F701 HydrophobicContact CB-CE1 4.24Å; K633-F701 HydrophobicContact CG-CD1 4.08Å; K633-F701 HydrophobicContact CG-CE1 3.44Å; K633-F701 VanDerWaalsContact CG-CE1 3.44Å; K633-F701 HydrophobicContact CG-CZ 4.12Å; K633-C774 HydrophobicContact CB-CB 4.39Å; K633-C774 PolarHBondContact N-O 3.47Å; K633-C774 WeakPolarHBondContact O-CA 3.27Å; K633-C774 WeakPolarHBondContact O-CB 3.36Å; K633-C774 PolarHBondContact O-N 2.87Å; K633-C774 VanDerWaalsContact O-O 3.13Å
634	I	82	Confident	83.1	Confident	25 Å²	25	42.5 Å²	42.5	13%	0.128	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.7	178.7	-66.7	170.9	0	0	0	108.1	L632 V711 L717 L720	L632-I634 HydrophobicContact CD2-CD1 3.84Å; L632-I634 HydrophobicContact CD2-CG1 3.97Å; L632-I634 HydrophobicContact CG-CD1 4.42Å; L632-I634 HydrophobicContact CG-CG1 4.03Å; I634-V711 HydrophobicContact CB-CG1 4.14Å; I634-V711 HydrophobicContact CD1-CG1 3.48Å; I634-V711 VanDerWaalsContact CD1-CG1 3.48Å; I634-V711 HydrophobicContact CG1-CG1 3.46Å; I634-V711 VanDerWaalsContact CG1-CG1 3.46Å; I634-V711 HydrophobicContact CG2-CG1 3.62Å; I634-L717 HydrophobicContact CG2-CD2 4.29Å; I634-L720 HydrophobicContact CB-CD1 3.91Å; I634-L720 HydrophobicContact CD1-CD1 3.18Å; I634-L720 HydrophobicContact CG1-CD1 4.03Å; I634-L720 HydrophobicContact CG2-CD1 4.16Å
635	V	84.5	Confident	84	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.8	-171.6	-179.9	0	0	0	0	109.8	G637 V646 L650 C772	V635-G637 PolarHBondContact O-N 2.03Å; V635-V646 HydrophobicContact CB-CG1 4.14Å; V635-V646 HydrophobicContact CG1-CG1 3.54Å; V635-L650 HydrophobicContact CB-CD2 4.39Å; V635-L650 HydrophobicContact CG1-CD2 3.85Å; V635-L650 HydrophobicContact CG2-CD1 3.64Å; V635-L650 HydrophobicContact CG2-CD2 3.79Å; V635-L650 HydrophobicContact CG2-CG 4.33Å; V635-C772 PolarHBondContact N-O 2.85Å; V635-C772 PolarHBondContact O-N 3.18Å
636	L	87	Confident	84.9	Confident	70 Å²	70	40.5 Å²	40.5	37%	0.366	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	107.7	165.7	-174.3	63.1	0	0	0	108.7	W738 F771	L636-W738 HydrophobicContact CD1-CB 4.11Å; L636-F771 HydrophobicContact CD1-CD1 3.82Å; L636-F771 HydrophobicContact CD1-CE1 3.65Å; L636-F771 HydrophobicContact CD1-CZ 4.36Å
637	G	84.4	Confident	85.2	Confident	2 Å²	2	39.4 Å²	39.4	2%	0.021	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-66.3	147.4	-177	0	0	0	0	0	113.5	V635 S769 R770	V635-G637 PolarHBondContact O-N 2.03Å; G637-S769 WeakPolarHBondContact O-CB 3.25Å; G637-S769 PolarHBondContact O-OG 3.09Å; G637-R770 PolarHBondContact N-O 3.01Å
638	S	83.9	Confident	85.1	Confident	43 Å²	43	42.9 Å²	42.9	30%	0.301	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-55.3	148	166.3	-59.5	0	0	0	0	110.3	G640 K641 H655	S638-G640 PolarHBondContact O-N 3.49Å; S638-K641 WeakPolarHBondContact O-CB 3.27Å; S638-K641 PolarHBondContact O-N 3.26Å; S638-H655 PolarHBondContact OG-CE1 2.96Å; S638-H655 VanDerWaalsContact OG-CE1 3.28Å; S638-H655 PolarHBondContact OG-ND1 3.3Å
639	R	85.3	Confident	85.1	Confident	130 Å²	130	44.9 Å²	44.9	49%	0.491	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	137.2	-172.8	-67.1	161.7	169	179.5	5	111.8	K641 N740 D766 F768	R639-K641 PolarHBondContact O-N 3.26Å; R639-K641 VanDerWaalsContact O-N 3.12Å; R639-N740 PolarHBondContact NH2-ND2 3.34Å; R639-D766 HydrophobicContact CB-CB 3.81Å; R639-D766 VanDerWaalsContact CB-O 3.29Å; R639-D766 WeakPolarHBondContact CB-O 3.39Å; R639-D766 WeakPolarHBondContact CD-O 3.33Å; R639-D766 WeakPolarHBondContact CG-O 3.36Å; R639-F768 WeakPolarHBondContact CA-O 3.43Å
640	G	84.4	Confident	84.9	Confident	16 Å²	16	38.6 Å²	38.6	17%	0.165	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	-6.1	178.3	0	0	0	0	0	116.1	S638 S759 G760 F768	S638-G640 PolarHBondContact O-N 3.49Å; G640-S759 WeakPolarHBondContact O-CB 3.49Å; G640-G760 WeakPolarHBondContact CA-O 3.35Å; G640-G760 PolarHBondContact O-N 3.21Å; G640-F768 PolarHBondContact N-O 3.4Å; G640-F768 VanDerWaalsContact N-O 3.15Å
641	K	89.1	Confident	84.1	Confident	114 Å²	114	37.7 Å²	37.7	50%	0.496	21%	0.206	S	C	.	.			trans	-81.3	148.5	179.7	-62.5	-62.8	-173.8	176.5	0	112.4	S638 R639 V646	S638-K641 WeakPolarHBondContact O-CB 3.27Å; S638-K641 PolarHBondContact O-N 3.26Å; R639-K641 PolarHBondContact O-N 3.26Å; R639-K641 VanDerWaalsContact O-N 3.12Å; K641-V646 HydrophobicContact CB-CG2 3.8Å
642	S	93.1	Very high	83	Confident	4 Å²	4	41.3 Å²	41.3	3%	0.028	23%	0.228	C	C	.	.			trans	-74.3	159.1	171.6	74.5	0	0	0	0	111.2	A644 D645 V646 T757 A758	S642-A644 VanDerWaalsContact C-N 3.28Å; S642-A644 PolarHBondContact O-N 3.23Å; S642-D645 PolarHBondContact O-N 3.3Å; S642-D645 WeakPolarHBondContact OG-CB 3.11Å; S642-D645 PolarHBondContact OG-N 3.12Å; S642-D645 VanDerWaalsContact OG-N 3.07Å; S642-D645 PolarHBondContact OG-OD2 3.5Å; S642-V646 WeakPolarHBondContact O-CG2 3.42Å; S642-V646 PolarHBondContact O-N 3.43Å; S642-T757 VanDerWaalsContact CB-O 3.26Å; S642-T757 WeakPolarHBondContact CB-O 3.12Å; S642-A758 WeakPolarHBondContact CA-O 3.47Å
643	C	93.6	Very high	81.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-68.3	-30.7	174.6	-70.9	0	0	0	0	112.6	V646 C647 C756 C772	C643-V646 PolarHBondContact O-N 3.36Å; C643-C647 WeakPolarHBondContact O-CB 3.37Å; C643-C647 PolarHBondContact O-N 3.33Å; C643-C647 PolarHBondContact O-SG 2.89Å; C643-C756 PolarHBondContact N-O 3.46Å; C643-C772 WeakPolarHBondContact CA-SG 3.4Å; C643-C772 HydrophobicContact CB-CB 3.59Å; C643-C772 WeakPolarHBondContact CB-SG 3.17Å; C643-C772 WeakPolarHBondContact SG-CA 3.39Å; C643-C772 WeakPolarHBondContact SG-CB 3.18Å; C643-C772 CovalentContact SG-SG 2.05Å; C643-C772 PolarHBondContact SG-SG 2.93Å
644	A	92.9	Very high	79.2	Confident	12 Å²	12	51.4 Å²	51.4	10%	0.099	29%	0.29	C	S	.	.	H	α-helix	trans	-58	-49.5	171.6	0	0	0	0	0	111.5	P386 S642 M648 C756	P386-A644 HydrophobicContact CG-CB 3.95Å; S642-A644 VanDerWaalsContact C-N 3.28Å; S642-A644 PolarHBondContact O-N 3.23Å; A644-M648 WeakPolarHBondContact O-CB 3.43Å; A644-M648 VanDerWaalsContact O-CG 3.31Å; A644-M648 WeakPolarHBondContact O-CG 3.26Å; A644-M648 PolarHBondContact O-N 2.8Å; A644-C756 PolarHBondContact N-O 3.46Å
645	D	89.9	Confident	77.3	Confident	71 Å²	71	51.9 Å²	51.9	38%	0.38	29%	0.292	S	S	.	.	H	α-helix	trans	-65.9	-44.1	179.1	-61.6	-41.5	0	0	0	111.9	S642 C647 M648 N649	S642-D645 PolarHBondContact O-N 3.3Å; S642-D645 WeakPolarHBondContact OG-CB 3.11Å; S642-D645 PolarHBondContact OG-N 3.12Å; S642-D645 VanDerWaalsContact OG-N 3.07Å; S642-D645 PolarHBondContact OG-OD2 3.5Å; D645-C647 PolarHBondContact O-N 3.1Å; D645-M648 PolarHBondContact O-N 2.95Å; D645-N649 WeakPolarHBondContact O-CB 3.19Å; D645-N649 PolarHBondContact O-N 3.47Å; D645-N649 VanDerWaalsContact O-N 3.12Å; D645-N649 PolarHBondContact O-ND2 2.88Å
646	V	89.8	Confident	75	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.006	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-51.4	179.1	168.8	0	0	0	0	109.7	V635 K641 S642 C643 M648 N649 L650 C772	V635-V646 HydrophobicContact CB-CG1 4.14Å; V635-V646 HydrophobicContact CG1-CG1 3.54Å; K641-V646 HydrophobicContact CB-CG2 3.8Å; S642-V646 WeakPolarHBondContact O-CG2 3.42Å; S642-V646 PolarHBondContact O-N 3.43Å; C643-V646 PolarHBondContact O-N 3.36Å; V646-M648 PolarHBondContact O-N 2.84Å; V646-N649 PolarHBondContact O-N 3.22Å; V646-L650 WeakPolarHBondContact O-CG 3.42Å; V646-L650 PolarHBondContact O-N 3.16Å; V646-C772 HydrophobicContact CG1-CB 4.32Å
647	C	90.4	Very high	72.8	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64	-43.3	-179	-59.3	0	0	0	0	112.1	C643 D645 N649 L650 F701 C774	C643-C647 WeakPolarHBondContact O-CB 3.37Å; C643-C647 PolarHBondContact O-N 3.33Å; C643-C647 PolarHBondContact O-SG 2.89Å; D645-C647 PolarHBondContact O-N 3.1Å; C647-N649 PolarHBondContact O-N 3.25Å; C647-L650 WeakPolarHBondContact O-CB 3.12Å; C647-L650 PolarHBondContact O-N 3.26Å; C647-F701 CarbonylContact C-O 3.39Å; C647-F701 HydrophobicContact CB-CB 4.3Å; C647-F701 WeakPolarHBondContact O-CB 3.38Å; C647-C774 WeakPolarHBondContact CA-SG 3.22Å; C647-C774 HydrophobicContact CB-CB 3.75Å; C647-C774 WeakPolarHBondContact CB-SG 3.4Å; C647-C774 WeakPolarHBondContact SG-CA 3.15Å; C647-C774 WeakPolarHBondContact SG-CB 3.07Å; C647-C774 CovalentContact SG-SG 2.03Å; C647-C774 PolarHBondContact SG-SG 2.7Å
648	M	86.3	Confident	70.7	Confident	74 Å²	74	61 Å²	61	37%	0.365	34%	0.344	S	S	.	.	H	α-helix	trans	-62.2	-31.3	-179.9	-75	-174.7	-176.5	0	0	113	A644 D645 V646 F701	A644-M648 WeakPolarHBondContact O-CB 3.43Å; A644-M648 VanDerWaalsContact O-CG 3.31Å; A644-M648 WeakPolarHBondContact O-CG 3.26Å; A644-M648 PolarHBondContact O-N 2.8Å; D645-M648 PolarHBondContact O-N 2.95Å; V646-M648 PolarHBondContact O-N 2.84Å; M648-F701 PolarHBondContact N-O 3.18Å
649	N	80.5	Confident	68.4	Low	72 Å²	72	61.5 Å²	61.5	39%	0.385	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	3.1	-179.9	-67.2	-60.9	0	0	0	113.9	D645 V646 C647 G651 T652 H655	D645-N649 WeakPolarHBondContact O-CB 3.19Å; D645-N649 PolarHBondContact O-N 3.47Å; D645-N649 VanDerWaalsContact O-N 3.12Å; D645-N649 PolarHBondContact O-ND2 2.88Å; V646-N649 PolarHBondContact O-N 3.22Å; C647-N649 PolarHBondContact O-N 3.25Å; N649-G651 PolarHBondContact O-N 2.71Å; N649-T652 PolarHBondContact O-N 2.91Å; N649-T652 VanDerWaalsContact O-N 3.07Å; N649-T652 PolarHBondContact O-OG1 3.16Å; N649-H655 PolarHBondContact O-CD2 3.1Å
650	L	72.8	Confident	65.8	Low	10 Å²	10	60 Å²	60	5%	0.052	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	106.8	175.1	-72.3	175.4	0	0	0	111.5	V635 V646 C647 H655 L657 F701 C774	V635-L650 HydrophobicContact CB-CD2 4.39Å; V635-L650 HydrophobicContact CG1-CD2 3.85Å; V635-L650 HydrophobicContact CG2-CD1 3.64Å; V635-L650 HydrophobicContact CG2-CD2 3.79Å; V635-L650 HydrophobicContact CG2-CG 4.33Å; V646-L650 WeakPolarHBondContact O-CG 3.42Å; V646-L650 PolarHBondContact O-N 3.16Å; C647-L650 WeakPolarHBondContact O-CB 3.12Å; C647-L650 PolarHBondContact O-N 3.26Å; L650-H655 HydrophobicContact CD2-CB 4.15Å; L650-L657 HydrophobicContact CD2-CD2 4.05Å; L650-F701 HydrophobicContact CB-CB 4.29Å; L650-F701 HydrophobicContact CB-CD2 3.7Å; L650-F701 HydrophobicContact CB-CE2 4.41Å; L650-F701 HydrophobicContact CB-CG 4.21Å; L650-F701 HydrophobicContact CD1-CB 3.85Å; L650-F701 HydrophobicContact CD1-CD1 4.45Å; L650-F701 HydrophobicContact CD1-CD2 4.19Å; L650-F701 HydrophobicContact CD1-CG 3.92Å; L650-C774 HydrophobicContact CD1-CB 3.71Å; L650-C774 VanDerWaalsContact CD1-SG 3.57Å
651	G	57	Low	63.4	Low	62 Å²	62	65.1 Å²	65.1	64%	0.639	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	117	-6.7	-178.8	0	0	0	0	0	114.4	N649	N649-G651 PolarHBondContact O-N 2.71Å
652	T	54.3	Low	60.7	Low	80 Å²	80	66.8 Å²	66.8	49%	0.491	40%	0.398	S	S	.	.	S	Bend	trans	-85.7	148.2	156.7	64.8	0	0	0	0	107.9	N649 E654	N649-T652 PolarHBondContact O-N 2.91Å; N649-T652 VanDerWaalsContact O-N 3.07Å; N649-T652 PolarHBondContact O-OG1 3.16Å; T652-E654 PolarHBondContact O-N 3.02Å
653	S	41.1	Very low	57.8	Low	132 Å²	132	71.2 Å²	71.2	92%	0.923	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	23.1	-156.8	53	0	0	0	0	118.1
654	E	41.7	Very low	54.9	Low	158 Å²	158	74.4 Å²	74.4	74%	0.738	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-1.2	-171.3	-67.1	-166.2	163.1	0	0	115.8	T652	T652-E654 PolarHBondContact O-N 3.02Å
655	H	42	Very low	51.9	Low	35 Å²	35	76.1 Å²	76.1	16%	0.162	46%	0.457	C	S	.	.			trans	-119.4	123.4	-173.6	-59.9	-53	0	0	0	113.3	S638 N649 L650 L657	S638-H655 PolarHBondContact OG-CE1 2.96Å; S638-H655 VanDerWaalsContact OG-CE1 3.28Å; S638-H655 PolarHBondContact OG-ND1 3.3Å; N649-H655 PolarHBondContact O-CD2 3.1Å; L650-H655 HydrophobicContact CD2-CB 4.15Å; H655-L657 PolarHBondContact O-N 2.95Å
656	T	36	Very low	49.1	Very low	125 Å²	125	81.3 Å²	81.3	77%	0.767	47%	0.472	S	S	*	.			trans	-67.4	98.4	169.6	-47.4	0	0	0	0	108.9	L658	T656-L658 PolarHBondContact O-N 3.05Å
657	L	41	Very low	46.4	Very low	63 Å²	63	83.6 Å²	83.6	33%	0.33	49%	0.488	S	S	.	.			trans	-68.2	115.3	172.5	-72	163.1	0	0	0	109.1	L650 H655 L659 A665	L650-L657 HydrophobicContact CD2-CD2 4.05Å; H655-L657 PolarHBondContact O-N 2.95Å; L657-L659 HydrophobicContact CB-CD1 3.59Å; L657-L659 HydrophobicContact CB-CG 3.93Å; L657-L659 HydrophobicContact CD1-CD1 3.83Å; L657-L659 HydrophobicContact CG-CD1 4.2Å; L657-L659 PolarHBondContact O-N 2.96Å; L657-A665 HydrophobicContact CD1-CB 4.27Å
658	L	40.1	Very low	44	Very low	78 Å²	78	88.1 Å²	88.1	41%	0.408	51%	0.512	S	S	.	.			trans	-75.4	83	166.3	-65.9	171.6	0	0	0	107.9	T656 V722	T656-L658 PolarHBondContact O-N 3.05Å; L658-V722 HydrophobicContact CD1-CG2 4.01Å
659	L	35.5	Very low	41.7	Very low	55 Å²	55	93.9 Å²	93.9	29%	0.288	53%	0.529	S	S	.	.			trans	-108.9	139.7	176.5	-74	158.9	0	0	0	109.5	K633 L657 S661 I663	K633-L659 HydrophobicContact CD-CD2 4.38Å; L657-L659 HydrophobicContact CB-CD1 3.59Å; L657-L659 HydrophobicContact CB-CG 3.93Å; L657-L659 HydrophobicContact CD1-CD1 3.83Å; L657-L659 HydrophobicContact CG-CD1 4.2Å; L657-L659 PolarHBondContact O-N 2.96Å; L659-S661 PolarHBondContact O-N 2.88Å; L659-I663 WeakPolarHBondContact CD1-O 3.31Å; L659-I663 WeakPolarHBondContact CD2-O 3.49Å
660	P	31.3	Very low	39.4	Very low	97 Å²	97	96.1 Å²	96.1	63%	0.63	54%	0.541	S	S	*	.			trans	-54	136.4	152.1	-15.8	29.1	0	0	0	107.9	N662 I663	P660-N662 PolarHBondContact O-N 3.44Å; P660-I663 PolarHBondContact O-N 3.05Å
661	S	32.1	Very low	37.5	Very low	124 Å²	124	98 Å²	98	87%	0.867	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	9	-168	43.1	0	0	0	0	117.2	L659	L659-S661 PolarHBondContact O-N 2.88Å
662	N	34	Very low	36.4	Very low	150 Å²	150	100.9 Å²	100.9	80%	0.802	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	3	-174.4	-71.1	-2.5	0	0	0	115.2	P660	P660-N662 PolarHBondContact O-N 3.44Å
663	I	32.6	Very low	35.4	Very low	96 Å²	96	105.3 Å²	105.3	49%	0.492	57%	0.572	S	S	.	*			trans	-136.8	88.5	-176.8	-51.7	176.5	0	0	0	110.8	L659 P660	L659-I663 WeakPolarHBondContact CD1-O 3.31Å; L659-I663 WeakPolarHBondContact CD2-O 3.49Å; P660-I663 PolarHBondContact O-N 3.05Å
664	S	31.1	Very low	35.1	Very low	68 Å²	68	104 Å²	104	48%	0.476	55%	0.551	S	S	.	*			trans	-76.4	141.7	171	68.6	0	0	0	0	110.6	Y666 S667	S664-Y666 PolarHBondContact O-N 2.96Å; S664-S667 PolarHBondContact O-N 2.98Å
665	A	31.3	Very low	34.7	Very low	47 Å²	47	104.7 Å²	104.7	39%	0.388	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.3	-8.5	171.7	0	0	0	0	0	113.4	L657	L657-A665 HydrophobicContact CD1-CB 4.27Å
666	Y	31.1	Very low	34.6	Very low	181 Å²	181	111.5 Å²	111.5	71%	0.71	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-16.1	172.6	-91.3	-92.7	0	0	0	114.5	S664 I668 R669	S664-Y666 PolarHBondContact O-N 2.96Å; Y666-I668 VanDerWaalsContact C-N 3.3Å; Y666-I668 PolarHBondContact O-N 2.9Å; Y666-R669 PolarHBondContact O-N 3.44Å
667	S	33.3	Very low	35.2	Very low	48 Å²	48	109.3 Å²	109.3	34%	0.336	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-69	-23	-179.4	169.7	0	0	0	0	113.9	S664 R669 N671	S664-S667 PolarHBondContact O-N 2.98Å; S667-R669 VanDerWaalsContact C-N 3.33Å; S667-R669 PolarHBondContact O-N 3.18Å; S667-N671 VanDerWaalsContact O-CG 3.24Å; S667-N671 PolarHBondContact O-OD1 3.3Å; S667-N671 PolarHBondContact OG-ND2 3.34Å; S667-N671 PolarHBondContact OG-OD1 3.22Å
668	I	38.3	Very low	35.6	Very low	96 Å²	96	111.2 Å²	111.2	49%	0.492	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-74.1	-24.2	-177.4	-60.7	171.1	0	0	0	112	Y666 Y699	Y666-I668 VanDerWaalsContact C-N 3.3Å; Y666-I668 PolarHBondContact O-N 2.9Å; I668-Y699 HydrophobicContact CG2-CD1 3.83Å; I668-Y699 HydrophobicContact CG2-CE1 4.06Å
669	R	38.7	Very low	36.2	Very low	194 Å²	194	113.8 Å²	113.8	73%	0.732	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-77.8	-16.5	-179.3	-76.5	-173.6	-156.1	-157	5.7	114.7	Y666 S667	Y666-R669 PolarHBondContact O-N 3.44Å; S667-R669 VanDerWaalsContact C-N 3.33Å; S667-R669 PolarHBondContact O-N 3.18Å
670	N	31.3	Very low	37.8	Very low	120 Å²	120	111.8 Å²	111.8	64%	0.642	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.9	7.7	-169.8	-99.5	-2.3	0	0	0	115.5	T672 Q673	N670-T672 PolarHBondContact O-N 2.85Å; N670-T672 VanDerWaalsContact O-N 3.1Å; N670-Q673 PolarHBondContact O-N 3.4Å
671	N	33.6	Very low	40.3	Very low	49 Å²	49	107.3 Å²	107.3	26%	0.262	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-76.1	9.7	178.6	-82.5	9	0	0	0	114.9	S667 Q673 H674 I677	S667-N671 VanDerWaalsContact O-CG 3.24Å; S667-N671 PolarHBondContact O-OD1 3.3Å; S667-N671 PolarHBondContact OG-ND2 3.34Å; S667-N671 PolarHBondContact OG-OD1 3.22Å; N671-Q673 PolarHBondContact O-N 2.04Å; N671-H674 PolarHBondContact O-N 3.29Å; N671-H674 PolarHBondContact OD1-CD2 3.31Å; N671-H674 VanDerWaalsContact OD1-CD2 3.25Å; N671-I677 HydrophobicContact CB-CD1 4Å
672	T	34	Very low	42.6	Very low	123 Å²	123	104 Å²	104	76%	0.755	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-66.4	-5.4	162.5	40.7	0	0	0	0	113.2	N670	N670-T672 PolarHBondContact O-N 2.85Å; N670-T672 VanDerWaalsContact O-N 3.1Å
673	Q	32.8	Very low	44.8	Very low	173 Å²	173	100.8 Å²	100.8	81%	0.808	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-106.5	3.6	170.8	-73.2	-173.1	-15.3	0	0	115.2	N670 N671 Q675	N670-Q673 PolarHBondContact O-N 3.4Å; N671-Q673 PolarHBondContact O-N 2.04Å; Q673-Q675 PolarHBondContact O-N 3.15Å
674	H	34.5	Very low	47.3	Very low	104 Å²	104	96.9 Å²	96.9	48%	0.481	48%	0.482	S	S	.	.			trans	-83.8	113.9	171.1	-99.8	-78.1	0	0	0	110.5	N671 Q676 I677	N671-H674 PolarHBondContact O-N 3.29Å; N671-H674 PolarHBondContact OD1-CD2 3.31Å; N671-H674 VanDerWaalsContact OD1-CD2 3.25Å; H674-Q676 PolarHBondContact O-N 3.46Å; H674-I677 HydrophobicContact CB-CD1 4.39Å; H674-I677 HydrophobicContact CB-CG1 4.44Å; H674-I677 PolarHBondContact O-N 2.76Å
675	Q	33.5	Very low	49.9	Very low	172 Å²	172	94 Å²	94	80%	0.804	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-19.3	179	-83.4	178.2	-29.4	0	0	114.5	Q673	Q673-Q675 PolarHBondContact O-N 3.15Å
676	Q	39.7	Very low	52.2	Low	178 Å²	178	95.2 Å²	95.2	83%	0.832	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-9.6	178.4	-72.9	-178.1	-20.2	0	0	114.7	H674	H674-Q676 PolarHBondContact O-N 3.46Å
677	I	49.2	Very low	54.7	Low	80 Å²	80	90.8 Å²	90.8	41%	0.41	45%	0.454	S	S	.	.	S	Bend	trans	-105.8	1	-179.5	-53.6	179.4	0	0	0	111.9	N671 H674 N679 Y683	N671-I677 HydrophobicContact CB-CD1 4Å; H674-I677 HydrophobicContact CB-CD1 4.39Å; H674-I677 HydrophobicContact CB-CG1 4.44Å; H674-I677 PolarHBondContact O-N 2.76Å; I677-N679 PolarHBondContact O-N 3.21Å; I677-Y683 WeakPolarHBondContact O-CB 3.36Å
678	Q	49.9	Very low	57.3	Low	102 Å²	102	92.8 Å²	92.8	48%	0.477	46%	0.458	S	S	.	.	S	Bend	trans	-75.2	-11.5	179	-67.8	-164.7	-15.3	0	0	114.1	Y683	Q678-Y683 WeakPolarHBondContact O-CD1 2.99Å; Q678-Y683 WeakPolarHBondContact O-CE1 3.23Å
679	N	52.8	Low	59.3	Low	132 Å²	132	88.9 Å²	88.9	71%	0.706	44%	0.439	S	S	*	.	S	Bend	trans	-126.8	134.3	179.5	-65	-19.4	0	0	0	109.1	I677	I677-N679 PolarHBondContact O-N 3.21Å
680	G	69.6	Low	61.2	Low	14 Å²	14	82.9 Å²	82.9	14%	0.144	42%	0.424	C	S	.	.	S	Bend	trans	133	170.1	176.8	0	0	0	0	0	115.5	S209 I682 Y683 Y684	S209-G680 VanDerWaalsContact OG-C 3.31Å; G680-I682 PolarHBondContact O-N 3.28Å; G680-Y683 WeakPolarHBondContact O-CB 3.05Å; G680-Y683 PolarHBondContact O-N 2.85Å; G680-Y684 PolarHBondContact O-N 3.3Å
681	Y	83.1	Confident	63.1	Low	3 Å²	3	82.1 Å²	82.1	1%	0.012	43%	0.426	C	S	.	.	H	α-helix	trans	-65.8	-43	-169.8	175.3	-97.7	0	0	0	111.8	Y202 G205 V206 S209 P240 W574 E578 Y683 Y684 R685 L789	Y202-Y681 AromaticContact CD2-CE2 3.76Å; Y202-Y681 HydrophobicContact CD2-CE2 3.76Å; Y202-Y681 AromaticContact CD2-CZ 3.87Å; Y202-Y681 VanDerWaalsContact CD2-OH 3.28Å; Y202-Y681 WeakPolarHBondContact CD2-OH 3.23Å; Y202-Y681 AromaticContact CE2-CE2 3.86Å; Y202-Y681 HydrophobicContact CE2-CE2 3.86Å; Y202-Y681 AromaticContact CE2-CZ 3.75Å; Y202-Y681 WeakPolarHBondContact CE2-OH 3.23Å; G205-Y681 VanDerWaalsContact C-CD2 3.47Å; V206-Y681 HydrophobicContact CG2-CD2 4.23Å; V206-Y681 HydrophobicContact CG2-CE2 4.24Å; S209-Y681 WeakPolarHBondContact OG-CA 3.28Å; S209-Y681 VanDerWaalsContact OG-CB 3.28Å; S209-Y681 WeakPolarHBondContact OG-CB 3.31Å; S209-Y681 PolarHBondContact OG-N 3.35Å; P240-Y681 VanDerWaalsContact CD-CD1 3.43Å; P240-Y681 HydrophobicContact CG-CD1 3.46Å; P240-Y681 VanDerWaalsContact CG-CD1 3.46Å; P240-Y681 HydrophobicContact CG-CD2 3.72Å; P240-Y681 HydrophobicContact CG-CE1 3.46Å; P240-Y681 VanDerWaalsContact CG-CE1 3.46Å; P240-Y681 HydrophobicContact CG-CE2 3.73Å; P240-Y681 HydrophobicContact CG-CG 3.6Å; W574-Y681 HydrophobicContact CZ2-CE2 4.47Å; W574-Y681 PolarHBondContact NE1-OH 3.34Å; E578-Y681 WeakPolarHBondContact OE1-CE1 3.09Å; E578-Y681 VanDerWaalsContact OE1-CZ 3.26Å; E578-Y681 PolarHBondContact OE1-OH 2.87Å; Y681-Y683 VanDerWaalsContact C-N 3.26Å; Y681-Y683 PolarHBondContact O-N 2.97Å; Y681-Y684 WeakPolarHBondContact O-CB 3.45Å; Y681-Y684 PolarHBondContact O-N 3.07Å; Y681-R685 HydrophobicContact CE1-CB 4.48Å; Y681-R685 VanDerWaalsContact O-CB 3.29Å; Y681-R685 WeakPolarHBondContact O-CB 3.38Å; Y681-R685 PolarHBondContact O-N 2.96Å; Y681-L789 HydrophobicContact CD1-CD1 3.65Å; Y681-L789 HydrophobicContact CE1-CD1 3.47Å; Y681-L789 VanDerWaalsContact CE1-CD1 3.47Å
682	I	80.9	Confident	64.8	Low	53 Å²	53	80.2 Å²	80.2	27%	0.272	42%	0.416	S	S	.	.	H	α-helix	trans	-61	-37.4	177.9	-61	-58.1	0	0	0	111.4	G680 R685 S686 L778 L789	G680-I682 PolarHBondContact O-N 3.28Å; I682-R685 PolarHBondContact O-N 3.38Å; I682-S686 PolarHBondContact O-N 2.9Å; I682-L778 HydrophobicContact CD1-CD1 4.12Å; I682-L778 HydrophobicContact CD1-CD2 3.77Å; I682-L789 HydrophobicContact CD1-CD1 3.75Å
683	Y	79.2	Confident	66.4	Low	83 Å²	83	77 Å²	77	33%	0.325	40%	0.398	S	S	.	.	H	α-helix	trans	-68.6	-47.6	174.3	178.4	-97.5	0	0	0	111.4	F208 I677 Q678 G680 Y681 R685 S686 I687	F208-Y683 AromaticContact CE1-CD1 3.81Å; F208-Y683 HydrophobicContact CE1-CD1 3.81Å; F208-Y683 HydrophobicContact CE1-CE1 4.43Å; F208-Y683 HydrophobicContact CZ-CD1 4.09Å; F208-Y683 HydrophobicContact CZ-CE1 4.25Å; I677-Y683 WeakPolarHBondContact O-CB 3.36Å; Q678-Y683 WeakPolarHBondContact O-CD1 2.99Å; Q678-Y683 WeakPolarHBondContact O-CE1 3.23Å; G680-Y683 WeakPolarHBondContact O-CB 3.05Å; G680-Y683 PolarHBondContact O-N 2.85Å; Y681-Y683 VanDerWaalsContact C-N 3.26Å; Y681-Y683 PolarHBondContact O-N 2.97Å; Y683-R685 PolarHBondContact O-N 3.49Å; Y683-S686 PolarHBondContact O-N 3.09Å; Y683-S686 VanDerWaalsContact O-N 3.08Å; Y683-S686 PolarHBondContact O-OG 2.81Å; Y683-I687 HydrophobicContact CD1-CD1 4.47Å; Y683-I687 HydrophobicContact CE1-CD1 4.06Å; Y683-I687 HydrophobicContact CE1-CG2 4.28Å; Y683-I687 HydrophobicContact CE2-CG2 4.18Å; Y683-I687 WeakPolarHBondContact O-CG1 3.48Å; Y683-I687 PolarHBondContact O-N 3.33Å
684	Y	85.8	Confident	67.9	Low	15 Å²	15	70.9 Å²	70.9	6%	0.059	37%	0.371	C	S	.	.	H	α-helix	trans	-53.5	-42.8	173.2	179.2	-87	0	0	0	111.5	H201 N204 G205 F208 W574 G680 Y681 I687 H688	H201-Y684 WeakPolarHBondContact O-CE1 3.21Å; N204-Y684 HydrophobicContact CB-CE2 4.32Å; N204-Y684 WeakPolarHBondContact CB-OH 3.25Å; G205-Y684 VanDerWaalsContact CA-CE1 3.47Å; G205-Y684 VanDerWaalsContact CA-CG 3.42Å; F208-Y684 HydrophobicContact CB-CD2 3.79Å; F208-Y684 HydrophobicContact CB-CG 4.28Å; F208-Y684 HydrophobicContact CD1-CD2 4.31Å; F208-Y684 HydrophobicContact CD2-CD2 4.1Å; F208-Y684 AromaticContact CG-CD2 3.8Å; F208-Y684 HydrophobicContact CG-CD2 3.8Å; F208-Y684 HydrophobicContact CG-CG 4.37Å; W574-Y684 AromaticContact CH2-CD1 3.95Å; W574-Y684 HydrophobicContact CH2-CD1 3.95Å; W574-Y684 AromaticContact CH2-CE1 3.76Å; W574-Y684 HydrophobicContact CH2-CE1 3.76Å; W574-Y684 HydrophobicContact CZ2-CD1 4.11Å; W574-Y684 HydrophobicContact CZ2-CE1 4.04Å; G680-Y684 PolarHBondContact O-N 3.3Å; Y681-Y684 WeakPolarHBondContact O-CB 3.45Å; Y681-Y684 PolarHBondContact O-N 3.07Å; Y684-I687 WeakPolarHBondContact O-CG1 3.25Å; Y684-I687 PolarHBondContact O-N 3.24Å; Y684-H688 AromaticContact CD1-ND1 3.73Å; Y684-H688 AromaticContact CD2-CE1 3.4Å; Y684-H688 WeakPolarHBondContact CD2-CE1 3.29Å; Y684-H688 AromaticContact CD2-ND1 3.39Å; Y684-H688 WeakPolarHBondContact CD2-ND1 3.49Å; Y684-H688 HydrophobicContact CE1-CB 4.21Å; Y684-H688 AromaticContact CE1-CG 3.97Å; Y684-H688 AromaticContact CE1-ND1 3.63Å; Y684-H688 AromaticContact CE2-CE1 3.1Å; Y684-H688 WeakPolarHBondContact CE2-CE1 3.18Å; Y684-H688 AromaticContact CE2-ND1 3.27Å; Y684-H688 VanDerWaalsContact CE2-ND1 3.27Å; Y684-H688 WeakPolarHBondContact CE2-ND1 3.43Å; Y684-H688 AromaticContact CE2-NE2 3.78Å; Y684-H688 AromaticContact CG-ND1 3.61Å; Y684-H688 AromaticContact CZ-CE1 3.59Å; Y684-H688 AromaticContact CZ-CG 3.77Å; Y684-H688 AromaticContact CZ-ND1 3.37Å; Y684-H688 WeakPolarHBondContact O-CB 3.26Å; Y684-H688 PolarHBondContact O-N 3.45Å; Y684-H688 VanDerWaalsContact O-N 3.13Å; Y684-H688 PolarHBondContact O-ND1 2.81Å
685	R	86	Confident	68.9	Low	6 Å²	6	71 Å²	71	2%	0.023	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-43.2	177.8	-173.2	-178.9	177.6	-73.5	-10.1	111.9	H569 W574 E578 Y681 I682 Y683 I687 H688 S689 P779	H569-R685 PolarHBondContact CD2-NH2 3.35Å; H569-R685 PolarHBondContact NE2-NH2 3.43Å; W574-R685 HydrophobicContact CH2-CB 4.41Å; W574-R685 HydrophobicContact CH2-CG 4.33Å; W574-R685 HydrophobicContact CZ2-CB 4.35Å; W574-R685 HydrophobicContact CZ2-CG 4.24Å; E578-R685 VanDerWaalsContact OE1-CD 3.31Å; E578-R685 WeakPolarHBondContact OE1-CD 3.43Å; E578-R685 IonicContact OE1-NE 3.55Å; E578-R685 PolarHBondContact OE1-NE 3.45Å; E578-R685 IonicContact OE2-NE 3.86Å; E578-R685 PolarHBondContact OE2-NE 2.95Å; E578-R685 IonicContact OE2-NH2 3.76Å; Y681-R685 HydrophobicContact CE1-CB 4.48Å; Y681-R685 VanDerWaalsContact O-CB 3.29Å; Y681-R685 WeakPolarHBondContact O-CB 3.38Å; Y681-R685 PolarHBondContact O-N 2.96Å; I682-R685 PolarHBondContact O-N 3.38Å; Y683-R685 PolarHBondContact O-N 3.49Å; R685-I687 VanDerWaalsContact C-N 3.3Å; R685-I687 PolarHBondContact O-N 3.2Å; R685-H688 PolarHBondContact O-N 3.41Å; R685-S689 WeakPolarHBondContact O-CB 3.49Å; R685-S689 PolarHBondContact O-N 3.3Å; R685-S689 PolarHBondContact O-OG 2.78Å; R685-P779 VanDerWaalsContact CZ-O 3.32Å; R685-P779 PolarHBondContact NH1-O 3.25Å; R685-P779 PolarHBondContact NH2-O 3.45Å
686	S	79.9	Confident	70	Confident	74 Å²	74	67.1 Å²	67.1	52%	0.517	37%	0.366	S	S	.	.	H	α-helix	trans	-65.9	-31.4	-178.5	72.6	0	0	0	0	113.1	I682 Y683	I682-S686 PolarHBondContact O-N 2.9Å; Y683-S686 PolarHBondContact O-N 3.09Å; Y683-S686 VanDerWaalsContact O-N 3.08Å; Y683-S686 PolarHBondContact O-OG 2.81Å
687	I	83.5	Confident	70.8	Confident	88 Å²	88	60.6 Å²	60.6	45%	0.451	33%	0.334	S	S	.	.	H	α-helix	trans	-86.6	-26.2	179.4	65.5	173.2	0	0	0	113.7	Y683 Y684 R685	Y683-I687 HydrophobicContact CD1-CD1 4.47Å; Y683-I687 HydrophobicContact CE1-CD1 4.06Å; Y683-I687 HydrophobicContact CE1-CG2 4.28Å; Y683-I687 HydrophobicContact CE2-CG2 4.18Å; Y683-I687 WeakPolarHBondContact O-CG1 3.48Å; Y683-I687 PolarHBondContact O-N 3.33Å; Y684-I687 WeakPolarHBondContact O-CG1 3.25Å; Y684-I687 PolarHBondContact O-N 3.24Å; R685-I687 VanDerWaalsContact C-N 3.3Å; R685-I687 PolarHBondContact O-N 3.2Å
688	H	86.9	Confident	71	Confident	90 Å²	90	57.7 Å²	57.7	42%	0.417	32%	0.319	S	S	.	.	H	α-helix	trans	-103.9	-18.8	-176.7	-66.2	95.8	0	0	0	114.3	W574 Y684 R685	W574-H688 HydrophobicContact CH2-CB 4.04Å; W574-H688 HydrophobicContact CZ3-CB 3.96Å; Y684-H688 AromaticContact CD1-ND1 3.73Å; Y684-H688 AromaticContact CD2-CE1 3.4Å; Y684-H688 WeakPolarHBondContact CD2-CE1 3.29Å; Y684-H688 AromaticContact CD2-ND1 3.39Å; Y684-H688 WeakPolarHBondContact CD2-ND1 3.49Å; Y684-H688 HydrophobicContact CE1-CB 4.21Å; Y684-H688 AromaticContact CE1-CG 3.97Å; Y684-H688 AromaticContact CE1-ND1 3.63Å; Y684-H688 AromaticContact CE2-CE1 3.1Å; Y684-H688 WeakPolarHBondContact CE2-CE1 3.18Å; Y684-H688 AromaticContact CE2-ND1 3.27Å; Y684-H688 VanDerWaalsContact CE2-ND1 3.27Å; Y684-H688 WeakPolarHBondContact CE2-ND1 3.43Å; Y684-H688 AromaticContact CE2-NE2 3.78Å; Y684-H688 AromaticContact CG-ND1 3.61Å; Y684-H688 AromaticContact CZ-CE1 3.59Å; Y684-H688 AromaticContact CZ-CG 3.77Å; Y684-H688 AromaticContact CZ-ND1 3.37Å; Y684-H688 WeakPolarHBondContact O-CB 3.26Å; Y684-H688 PolarHBondContact O-N 3.45Å; Y684-H688 VanDerWaalsContact O-N 3.13Å; Y684-H688 PolarHBondContact O-ND1 2.81Å; R685-H688 PolarHBondContact O-N 3.41Å
689	S	81.6	Confident	71.5	Confident	14 Å²	14	58.3 Å²	58.3	10%	0.098	32%	0.318	C	S	.	.	S	Bend	trans	-78.2	144.6	174.5	65.2	0	0	0	0	110.9	R685 P691	R685-S689 WeakPolarHBondContact O-CB 3.49Å; R685-S689 PolarHBondContact O-N 3.3Å; R685-S689 PolarHBondContact O-OG 2.78Å; S689-P691 WeakPolarHBondContact O-CD 3.47Å
690	T	76.7	Confident	72.3	Confident	67 Å²	67	53.3 Å²	53.3	41%	0.411	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-66.5	120.9	176.7	-41.8	0	0	0	0	109.1	Y566 N780	Y566-T690 HydrophobicContact CD2-CG2 4.03Å; Y566-T690 HydrophobicContact CE2-CG2 4.01Å; T690-N780 PolarHBondContact O-ND2 2.89Å
691	P	71.8	Confident	73.2	Confident	105 Å²	105	53.8 Å²	53.8	68%	0.682	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-65.3	144.5	179.2	26.5	-33.2	0	0	0	109.9	Y566 S689	Y566-P691 VanDerWaalsContact CE2-O 3.31Å; Y566-P691 WeakPolarHBondContact CE2-O 3.5Å; S689-P691 WeakPolarHBondContact O-CD 3.47Å
692	S	70.2	Confident	73.6	Confident	8 Å²	8	54.4 Å²	54.4	6%	0.056	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-77.9	142.2	173.5	160.6	0	0	0	0	110.8	Y566 N694 N780	Y566-S692 VanDerWaalsContact OH-CA 3.29Å; Y566-S692 WeakPolarHBondContact OH-CA 3.27Å; Y566-S692 VanDerWaalsContact OH-CB 3.28Å; Y566-S692 WeakPolarHBondContact OH-CB 3.44Å; S692-N694 PolarHBondContact O-N 3.33Å; S692-N694 PolarHBondContact OG-N 3.07Å; S692-N780 WeakPolarHBondContact CB-OD1 3.45Å; S692-N780 PolarHBondContact N-ND2 3.35Å
693	P	67.8	Low	74.2	Confident	56 Å²	56	52.2 Å²	52.2	36%	0.364	28%	0.282	S	S	.	.	S	Bend	trans	-63.9	-25	172.7	29.4	-37.4	0	0	0	112.4	Y538 Y566	Y538-P693 HydrophobicContact CD2-CG 4.12Å; Y538-P693 HydrophobicContact CE2-CB 4.1Å; Y538-P693 HydrophobicContact CE2-CG 3.81Å; Y566-P693 HydrophobicContact CE1-CG 4.47Å
694	N	63.7	Low	74.9	Confident	45 Å²	45	48.2 Å²	48.2	24%	0.241	27%	0.266	C	S	.	.			trans	-104.5	81.3	-178	-169	-4.7	0	0	0	111.5	N532 S692 S696 Y697	N532-N694 PolarHBondContact O-ND2 3.35Å; S692-N694 PolarHBondContact O-N 3.33Å; S692-N694 PolarHBondContact OG-N 3.07Å; N694-S696 PolarHBondContact O-N 3.44Å; N694-S696 PolarHBondContact OD1-N 3.23Å; N694-S696 PolarHBondContact OD1-OG 3.43Å; N694-Y697 PolarHBondContact O-N 2.81Å
695	L	56.4	Low	75.3	Confident	107 Å²	107	48.3 Å²	48.3	56%	0.56	27%	0.269	S	S	*	.	H	α-helix	trans	-61	-26.9	179.9	-77	115	0	0	0	113.7	Y697 L698 Y699	L695-Y697 PolarHBondContact O-N 3Å; L695-L698 PolarHBondContact O-N 3.41Å; L695-Y699 HydrophobicContact CD2-CE2 4.28Å; L695-Y699 WeakPolarHBondContact O-CD2 3.18Å
696	S	56.4	Low	75.4	Confident	90 Å²	90	49.5 Å²	49.5	63%	0.629	27%	0.274	S	S	*	.	H	α-helix	trans	-62.6	-32.8	-175.3	70.7	0	0	0	0	112.4	N694 T700	N694-S696 PolarHBondContact O-N 3.44Å; N694-S696 PolarHBondContact OD1-N 3.23Å; N694-S696 PolarHBondContact OD1-OG 3.43Å; S696-T700 WeakPolarHBondContact O-CG2 3.32Å
697	Y	56.3	Low	75.8	Confident	40 Å²	40	46 Å²	46	16%	0.157	25%	0.25	C	C	.	.	H	α-helix	trans	-81.8	-27.3	-177.7	-172.1	-92.5	0	0	0	113.2	H533 N694 L695 Y699 T700 R702 I782	H533-Y697 AromaticContact CD2-CD1 3.49Å; H533-Y697 VanDerWaalsContact CD2-CD1 3.49Å; H533-Y697 WeakPolarHBondContact CD2-CD1 2.87Å; H533-Y697 AromaticContact CD2-CE1 2.98Å; H533-Y697 WeakPolarHBondContact CD2-CE1 3.37Å; H533-Y697 AromaticContact CD2-CZ 3.54Å; H533-Y697 AromaticContact CE1-CE1 3.76Å; H533-Y697 AromaticContact CE1-CZ 3.43Å; H533-Y697 VanDerWaalsContact CE1-CZ 3.43Å; H533-Y697 PolarHBondContact CE1-OH 3.42Å; H533-Y697 VanDerWaalsContact CE1-OH 3.23Å; H533-Y697 AromaticContact CG-CE1 3.89Å; H533-Y697 AromaticContact NE2-CD1 3.88Å; H533-Y697 AromaticContact NE2-CE1 2.91Å; H533-Y697 WeakPolarHBondContact NE2-CE1 3.42Å; H533-Y697 AromaticContact NE2-CZ 2.96Å; H533-Y697 PolarHBondContact NE2-OH 3.46Å; N694-Y697 PolarHBondContact O-N 2.81Å; L695-Y697 PolarHBondContact O-N 3Å; Y697-Y699 VanDerWaalsContact C-N 3.26Å; Y697-Y699 PolarHBondContact O-N 2.65Å; Y697-T700 PolarHBondContact O-N 3.15Å; Y697-T700 PolarHBondContact O-OG1 3.01Å; Y697-R702 PolarHBondContact OH-NH2 3.21Å; Y697-R702 VanDerWaalsContact OH-NH2 3.12Å; Y697-I782 HydrophobicContact CE1-CD1 3.74Å; Y697-I782 HydrophobicContact CE1-CG1 4.21Å
698	L	52.6	Low	76.1	Confident	19 Å²	19	41.8 Å²	41.8	10%	0.099	23%	0.228	C	C	.	.	H	α-helix	trans	-67.7	-21.1	-172	-62.1	171.5	0	0	0	114.8	L695 P779 N780	L695-L698 PolarHBondContact O-N 3.41Å; L698-P779 HydrophobicContact CB-CB 4.26Å; L698-P779 HydrophobicContact CD1-CB 4.45Å; L698-P779 HydrophobicContact CD2-CB 4.27Å; L698-N780 WeakPolarHBondContact CD2-OD1 3.15Å
699	Y	60.4	Low	75.9	Confident	115 Å²	115	38.1 Å²	38.1	45%	0.451	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	15.9	-174.7	-57.7	-76	0	0	0	113.1	I668 L695 Y697 P779	I668-Y699 HydrophobicContact CG2-CD1 3.83Å; I668-Y699 HydrophobicContact CG2-CE1 4.06Å; L695-Y699 HydrophobicContact CD2-CE2 4.28Å; L695-Y699 WeakPolarHBondContact O-CD2 3.18Å; Y697-Y699 VanDerWaalsContact C-N 3.26Å; Y697-Y699 PolarHBondContact O-N 2.65Å; Y699-P779 HydrophobicContact CE1-CG 4.35Å
700	T	70.2	Confident	75.8	Confident	27 Å²	27	38 Å²	38	17%	0.166	21%	0.212	C	C	.	.			trans	-85.5	139.7	-179.9	49.9	0	0	0	0	110.1	S696 Y697 R702	S696-T700 WeakPolarHBondContact O-CG2 3.32Å; Y697-T700 PolarHBondContact O-N 3.15Å; Y697-T700 PolarHBondContact O-OG1 3.01Å; T700-R702 VanDerWaalsContact CB-NH1 3.3Å; T700-R702 PolarHBondContact O-NH1 2.85Å; T700-R702 VanDerWaalsContact OG1-CZ 3.24Å; T700-R702 PolarHBondContact OG1-NH1 3.45Å; T700-R702 PolarHBondContact OG1-NH2 3.31Å
701	F	87.4	Confident	76.1	Confident	25 Å²	25	34.8 Å²	34.8	11%	0.11	19%	0.192	C	C	.	.			trans	-71.8	158.1	175.8	-70.6	-101.2	0	0	0	110.6	K633 C647 M648 L650 C774 R775 D776	K633-F701 HydrophobicContact CB-CD1 4.43Å; K633-F701 HydrophobicContact CB-CE1 4.24Å; K633-F701 HydrophobicContact CG-CD1 4.08Å; K633-F701 HydrophobicContact CG-CE1 3.44Å; K633-F701 VanDerWaalsContact CG-CE1 3.44Å; K633-F701 HydrophobicContact CG-CZ 4.12Å; C647-F701 CarbonylContact C-O 3.39Å; C647-F701 HydrophobicContact CB-CB 4.3Å; C647-F701 WeakPolarHBondContact O-CB 3.38Å; M648-F701 PolarHBondContact N-O 3.18Å; L650-F701 HydrophobicContact CB-CB 4.29Å; L650-F701 HydrophobicContact CB-CD2 3.7Å; L650-F701 HydrophobicContact CB-CE2 4.41Å; L650-F701 HydrophobicContact CB-CG 4.21Å; L650-F701 HydrophobicContact CD1-CB 3.85Å; L650-F701 HydrophobicContact CD1-CD1 4.45Å; L650-F701 HydrophobicContact CD1-CD2 4.19Å; L650-F701 HydrophobicContact CD1-CG 3.92Å; F701-C774 HydrophobicContact CB-CB 4.22Å; F701-C774 HydrophobicContact CD1-CB 4.47Å; F701-R775 CarbonylContact C-O 3.54Å; F701-R775 VanDerWaalsContact CA-O 3.24Å; F701-R775 WeakPolarHBondContact CA-O 3.16Å; F701-R775 WeakPolarHBondContact CB-O 2.98Å; F701-R775 VanDerWaalsContact CD1-C 3.43Å; F701-R775 WeakPolarHBondContact CD1-O 3.45Å; F701-D776 HydrophobicContact CD1-CB 4.41Å; F701-D776 HydrophobicContact CE1-CB 4.14Å
702	R	91.6	Very high	76.7	Confident	16 Å²	16	30.4 Å²	30.4	6%	0.06	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.3	178	-64.8	-69.7	172.9	-81.6	-8.8	110	Y697 T700 S704 C774 R775 A777 I782	Y697-R702 PolarHBondContact OH-NH2 3.21Å; Y697-R702 VanDerWaalsContact OH-NH2 3.12Å; T700-R702 VanDerWaalsContact CB-NH1 3.3Å; T700-R702 PolarHBondContact O-NH1 2.85Å; T700-R702 VanDerWaalsContact OG1-CZ 3.24Å; T700-R702 PolarHBondContact OG1-NH1 3.45Å; T700-R702 PolarHBondContact OG1-NH2 3.31Å; R702-S704 PolarHBondContact O-N 2.91Å; R702-C774 CarbonylContact O-C 3.52Å; R702-C774 VanDerWaalsContact O-CA 3.23Å; R702-C774 WeakPolarHBondContact O-CA 3.3Å; R702-R775 PolarHBondContact N-O 3.28Å; R702-R775 PolarHBondContact O-N 3.31Å; R702-A777 HydrophobicContact CG-CB 4.34Å; R702-I782 HydrophobicContact CG-CG2 4Å
703	C	94.7	Very high	77.1	Confident	6 Å²	6	31.1 Å²	31.1	4%	0.041	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	136.5	168	-172.2	0	0	0	0	109.1	P386 P705 C756 P773	P386-C703 HydrophobicContact CB-CB 4.46Å; C703-P705 WeakPolarHBondContact O-CD 3.48Å; C703-C756 HydrophobicContact CB-CB 3.68Å; C703-C756 WeakPolarHBondContact CB-SG 3.49Å; C703-C756 WeakPolarHBondContact SG-CB 3.23Å; C703-C756 CovalentContact SG-SG 2.04Å; C703-C756 PolarHBondContact SG-SG 3.22Å; C703-P773 WeakPolarHBondContact CA-O 3.35Å
704	S	93.3	Very high	77.6	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.			trans	-115.4	82.8	-178.9	-156.8	0	0	0	0	108.4	R702 E706 H707 P773 R775	R702-S704 PolarHBondContact O-N 2.91Å; S704-E706 VanDerWaalsContact C-OE2 3.3Å; S704-E706 PolarHBondContact O-N 3.07Å; S704-E706 VanDerWaalsContact O-N 3.12Å; S704-E706 PolarHBondContact OG-OE2 3.28Å; S704-H707 PolarHBondContact O-N 3.03Å; S704-P773 PolarHBondContact N-O 3.05Å; S704-P773 WeakPolarHBondContact O-CG 3.33Å; S704-R775 WeakPolarHBondContact OG-CD 3.45Å
705	P	93.2	Very high	78	Confident	17 Å²	17	33.3 Å²	33.3	11%	0.11	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-58.3	-26.3	-173.5	26.2	-37.7	0	0	0	112.9	Q376 C703 H707 F708	Q376-P705 HydrophobicContact CG-CG 4.46Å; C703-P705 WeakPolarHBondContact O-CD 3.48Å; P705-H707 PolarHBondContact O-N 3.13Å; P705-F708 HydrophobicContact CB-CD2 4.14Å; P705-F708 HydrophobicContact CB-CE2 4.2Å; P705-F708 WeakPolarHBondContact O-CD2 3.43Å; P705-F708 PolarHBondContact O-N 2.99Å
706	E	88.8	Confident	78.6	Confident	30 Å²	30	30.6 Å²	30.6	14%	0.14	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-53.5	-35.5	174.2	-60.4	70.1	-164.4	0	0	111.9	Q376 V624 P627 S704 P709	Q376-E706 VanDerWaalsContact CD-OE1 3.31Å; Q376-E706 VanDerWaalsContact NE2-N 3.11Å; Q376-E706 PolarHBondContact NE2-OE1 3.28Å; V624-E706 HydrophobicContact CG1-CB 3.82Å; V624-E706 WeakPolarHBondContact CG2-O 3.24Å; P627-E706 VanDerWaalsContact CD-CG 3.47Å; S704-E706 VanDerWaalsContact C-OE2 3.3Å; S704-E706 PolarHBondContact O-N 3.07Å; S704-E706 VanDerWaalsContact O-N 3.12Å; S704-E706 PolarHBondContact OG-OE2 3.28Å; E706-P709 VanDerWaalsContact O-CD 3.3Å; E706-P709 WeakPolarHBondContact O-CD 3.13Å
707	H	88.1	Confident	79.5	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.005	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-97.4	8.9	-173.4	-75.2	-72.3	0	0	0	114.4	P627 L632 S704 P705 P709 S710 V711 P773	P627-H707 PolarHBondContact O-CE1 3.01Å; P627-H707 VanDerWaalsContact O-CE1 3.26Å; P627-H707 PolarHBondContact O-NE2 3.48Å; L632-H707 HydrophobicContact CD1-CB 3.6Å; L632-H707 HydrophobicContact CD2-CB 3.97Å; L632-H707 HydrophobicContact CG-CB 4.45Å; S704-H707 PolarHBondContact O-N 3.03Å; P705-H707 PolarHBondContact O-N 3.13Å; H707-P709 VanDerWaalsContact C-CD 3.48Å; H707-P709 VanDerWaalsContact C-N 3.29Å; H707-S710 PolarHBondContact ND1-OG 2.98Å; H707-S710 VanDerWaalsContact ND1-OG 3.12Å; H707-S710 WeakPolarHBondContact O-CA 3.45Å; H707-S710 VanDerWaalsContact O-CB 3.27Å; H707-S710 WeakPolarHBondContact O-CB 3.24Å; H707-S710 PolarHBondContact O-N 3.45Å; H707-V711 PolarHBondContact O-N 2.81Å; H707-P773 HydrophobicContact CB-CB 3.69Å; H707-P773 HydrophobicContact CB-CG 4.48Å
708	F	90	Very high	80.3	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-54.5	-41.3	168.2	-86	-62.1	0	0	0	113.2	P705 S710 V711 N712 F754 P773	P705-F708 HydrophobicContact CB-CD2 4.14Å; P705-F708 HydrophobicContact CB-CE2 4.2Å; P705-F708 WeakPolarHBondContact O-CD2 3.43Å; P705-F708 PolarHBondContact O-N 2.99Å; F708-S710 PolarHBondContact O-N 3.12Å; F708-V711 HydrophobicContact CD1-CG2 4.15Å; F708-V711 VanDerWaalsContact O-CG2 3.24Å; F708-V711 WeakPolarHBondContact O-CG2 3.46Å; F708-V711 PolarHBondContact O-N 3.43Å; F708-N712 VanDerWaalsContact O-CB 3.29Å; F708-N712 WeakPolarHBondContact O-CB 3.48Å; F708-N712 PolarHBondContact O-N 3.23Å; F708-F754 HydrophobicContact CB-CB 3.98Å; F708-F754 HydrophobicContact CB-CD1 3.44Å; F708-F754 VanDerWaalsContact CB-CD1 3.44Å; F708-F754 HydrophobicContact CB-CD2 3.52Å; F708-F754 HydrophobicContact CB-CE1 3.66Å; F708-F754 HydrophobicContact CB-CE2 3.71Å; F708-F754 HydrophobicContact CB-CG 3.38Å; F708-F754 HydrophobicContact CB-CZ 3.79Å; F708-F754 AromaticContact CD1-CD1 3.81Å; F708-F754 HydrophobicContact CD1-CD1 3.81Å; F708-F754 HydrophobicContact CD1-CE1 4.28Å; F708-F754 HydrophobicContact CD1-CG 4.33Å; F708-F754 HydrophobicContact CD2-CB 3.58Å; F708-F754 HydrophobicContact CD2-CD1 4.28Å; F708-F754 AromaticContact CD2-CG 3.98Å; F708-F754 HydrophobicContact CD2-CG 3.98Å; F708-F754 HydrophobicContact CE2-CB 4.17Å; F708-F754 HydrophobicContact CG-CB 3.81Å; F708-F754 AromaticContact CG-CD1 3.61Å; F708-F754 HydrophobicContact CG-CD1 3.61Å; F708-F754 HydrophobicContact CG-CD2 4.3Å; F708-F754 HydrophobicContact CG-CE1 4.2Å; F708-F754 AromaticContact CG-CG 3.67Å; F708-F754 HydrophobicContact CG-CG 3.67Å; F708-P773 HydrophobicContact CD1-CG 3.88Å; F708-P773 HydrophobicContact CD2-CG 4.41Å; F708-P773 HydrophobicContact CE1-CG 4.04Å; F708-P773 HydrophobicContact CG-CG 4.06Å; F708-P773 HydrophobicContact CZ-CG 4.38Å
709	P	83.9	Confident	81	Confident	12 Å²	12	36.9 Å²	36.9	8%	0.078	17%	0.168	C	C	.	.	H	α-helix	trans	-56.3	-35.9	170.2	-25.9	35.4	0	0	0	113.6	P593 E706 H707 V711 N712 F754	P593-P709 HydrophobicContact CG-CB 4.46Å; P593-P709 HydrophobicContact CG-CG 4.36Å; E706-P709 VanDerWaalsContact O-CD 3.3Å; E706-P709 WeakPolarHBondContact O-CD 3.13Å; H707-P709 VanDerWaalsContact C-CD 3.48Å; H707-P709 VanDerWaalsContact C-N 3.29Å; P709-V711 VanDerWaalsContact C-N 3.35Å; P709-V711 PolarHBondContact O-N 3.46Å; P709-N712 PolarHBondContact O-N 3.41Å; P709-F754 HydrophobicContact CG-CE2 4.12Å
710	S	79	Confident	81.1	Confident	12 Å²	12	34.4 Å²	34.4	8%	0.084	16%	0.162	C	C	.	.	H	α-helix	trans	-66.4	-33.7	179	-52.7	0	0	0	0	112.7	H707 F708 N716	H707-S710 PolarHBondContact ND1-OG 2.98Å; H707-S710 VanDerWaalsContact ND1-OG 3.12Å; H707-S710 WeakPolarHBondContact O-CA 3.45Å; H707-S710 VanDerWaalsContact O-CB 3.27Å; H707-S710 WeakPolarHBondContact O-CB 3.24Å; H707-S710 PolarHBondContact O-N 3.45Å; F708-S710 PolarHBondContact O-N 3.12Å; S710-N716 VanDerWaalsContact O-CB 3.25Å; S710-N716 WeakPolarHBondContact O-CB 3.4Å; S710-N716 PolarHBondContact O-ND2 3.29Å
711	V	81.5	Confident	81	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-92.6	-3.2	175.7	-63.7	0	0	0	0	113.8	I634 H707 F708 P709 H713 L717 P736 F771 P773	I634-V711 HydrophobicContact CB-CG1 4.14Å; I634-V711 HydrophobicContact CD1-CG1 3.48Å; I634-V711 VanDerWaalsContact CD1-CG1 3.48Å; I634-V711 HydrophobicContact CG1-CG1 3.46Å; I634-V711 VanDerWaalsContact CG1-CG1 3.46Å; I634-V711 HydrophobicContact CG2-CG1 3.62Å; H707-V711 PolarHBondContact O-N 2.81Å; F708-V711 HydrophobicContact CD1-CG2 4.15Å; F708-V711 VanDerWaalsContact O-CG2 3.24Å; F708-V711 WeakPolarHBondContact O-CG2 3.46Å; F708-V711 PolarHBondContact O-N 3.43Å; P709-V711 VanDerWaalsContact C-N 3.35Å; P709-V711 PolarHBondContact O-N 3.46Å; V711-H713 VanDerWaalsContact C-N 3.28Å; V711-H713 PolarHBondContact O-N 3.14Å; V711-L717 HydrophobicContact CB-CD2 4.49Å; V711-P736 HydrophobicContact CB-CG 4.47Å; V711-P736 HydrophobicContact CG2-CG 3.76Å; V711-F771 HydrophobicContact CB-CB 4.25Å; V711-P773 HydrophobicContact CG1-CB 4.24Å; V711-P773 HydrophobicContact CG2-CB 4.43Å; V711-P773 HydrophobicContact CG2-CG 4.19Å
712	N	86.4	Confident	80.4	Confident	13 Å²	13	36 Å²	36	7%	0.07	19%	0.186	C	C	.	.	S	Bend	trans	-95.4	26.9	176.5	-157.4	55.8	0	0	0	112.4	F708 P709 F747 Q748 F754	F708-N712 VanDerWaalsContact O-CB 3.29Å; F708-N712 WeakPolarHBondContact O-CB 3.48Å; F708-N712 PolarHBondContact O-N 3.23Å; P709-N712 PolarHBondContact O-N 3.41Å; N712-F747 VanDerWaalsContact OD1-CA 3.29Å; N712-F747 WeakPolarHBondContact OD1-CA 3.38Å; N712-F747 VanDerWaalsContact OD1-CB 3.23Å; N712-F747 WeakPolarHBondContact OD1-CB 3.4Å; N712-Q748 PolarHBondContact ND2-O 2.85Å; N712-Q748 PolarHBondContact OD1-N 3.05Å; N712-F754 HydrophobicContact CB-CE1 4.27Å; N712-F754 HydrophobicContact CB-CZ 3.89Å
713	H	77.3	Confident	79.9	Confident	22 Å²	22	39.4 Å²	39.4	10%	0.102	21%	0.213	C	C	.	.			trans	-135.6	125.4	-171.3	-170.6	-104.5	0	0	0	110.7	D618 V711 L715 N716 L717	D618-H713 WeakPolarHBondContact CB-NE2 3.06Å; D618-H713 IonicContact OD1-NE2 3.32Å; V711-H713 VanDerWaalsContact C-N 3.28Å; V711-H713 PolarHBondContact O-N 3.14Å; H713-L715 PolarHBondContact O-N 3.22Å; H713-N716 HydrophobicContact CB-CB 4.16Å; H713-N716 PolarHBondContact ND1-N 3.03Å; H713-N716 PolarHBondContact ND1-OD1 3.49Å; H713-N716 PolarHBondContact O-N 3.19Å; H713-L717 PolarHBondContact O-N 2.74Å; H713-L717 VanDerWaalsContact O-N 3.12Å
714	R	78.5	Confident	79.2	Confident	70 Å²	70	39.5 Å²	39.5	26%	0.264	21%	0.214	S	C	.	.	H	α-helix	trans	-59.1	-49.9	-174.5	177.7	-173	59.8	173.6	-5	111.9	N616 D618 N716 L717 Q718 I727 F747	N616-R714 PolarHBondContact O-NH2 3.17Å; D618-R714 IonicContact OD2-CZ 2.67Å; D618-R714 IonicContact OD2-NE 3.55Å; D618-R714 PolarHBondContact OD2-NE 3.26Å; D618-R714 IonicContact OD2-NH2 3.44Å; D618-R714 PolarHBondContact OD2-NH2 3.25Å; R714-N716 PolarHBondContact O-N 2.79Å; R714-L717 PolarHBondContact O-N 3.03Å; R714-Q718 HydrophobicContact CG-CG 4.15Å; R714-Q718 WeakPolarHBondContact O-CB 3.08Å; R714-Q718 WeakPolarHBondContact O-CG 3.23Å; R714-Q718 PolarHBondContact O-N 3.49Å; R714-I727 HydrophobicContact CB-CD1 3.88Å; R714-I727 HydrophobicContact CG-CD1 3.72Å; R714-F747 HydrophobicContact CB-CE2 4.22Å; R714-F747 HydrophobicContact CB-CZ 4.43Å
715	L	72.1	Confident	78.7	Confident	78 Å²	78	43.6 Å²	43.6	41%	0.408	24%	0.24	S	C	.	.	H	α-helix	trans	-63.3	-33.8	-176	-59.4	178.9	0	0	0	111.7	D618 H713 Q718 Y719	D618-L715 HydrophobicContact CB-CD1 3.52Å; D618-L715 HydrophobicContact CB-CG 3.79Å; D618-L715 WeakPolarHBondContact OD2-CG 3.18Å; H713-L715 PolarHBondContact O-N 3.22Å; L715-Q718 PolarHBondContact O-N 3.34Å; L715-Y719 VanDerWaalsContact O-CB 3.27Å; L715-Y719 WeakPolarHBondContact O-CB 3.5Å; L715-Y719 PolarHBondContact O-N 2.86Å
716	N	69.8	Low	78.3	Confident	49 Å²	49	47.2 Å²	47.2	26%	0.262	26%	0.258	S	S	.	.	H	α-helix	trans	-68.8	-44.2	178.1	-63.9	7	0	0	0	110.2	S710 H713 R714 Y719 L720	S710-N716 VanDerWaalsContact O-CB 3.25Å; S710-N716 WeakPolarHBondContact O-CB 3.4Å; S710-N716 PolarHBondContact O-ND2 3.29Å; H713-N716 HydrophobicContact CB-CB 4.16Å; H713-N716 PolarHBondContact ND1-N 3.03Å; H713-N716 PolarHBondContact ND1-OD1 3.49Å; H713-N716 PolarHBondContact O-N 3.19Å; R714-N716 PolarHBondContact O-N 2.79Å; N716-Y719 PolarHBondContact O-N 3.37Å; N716-L720 VanDerWaalsContact O-CD1 3.27Å; N716-L720 WeakPolarHBondContact O-CD1 3.41Å; N716-L720 VanDerWaalsContact O-CG 3.23Å; N716-L720 WeakPolarHBondContact O-CG 3.49Å; N716-L720 PolarHBondContact O-N 2.79Å
717	L	73.6	Confident	78.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-41.3	175.1	-71.1	-168.5	0	0	0	112.3	I634 V711 H713 R714 L720 G721 V722 F747 F771	I634-L717 HydrophobicContact CG2-CD2 4.29Å; V711-L717 HydrophobicContact CB-CD2 4.49Å; H713-L717 PolarHBondContact O-N 2.74Å; H713-L717 VanDerWaalsContact O-N 3.12Å; R714-L717 PolarHBondContact O-N 3.03Å; L717-L720 CarbonylContact O-C 3.5Å; L717-L720 PolarHBondContact O-N 3.45Å; L717-L720 VanDerWaalsContact O-N 3.13Å; L717-G721 PolarHBondContact O-N 3.45Å; L717-V722 CarbonylContact C-O 3.21Å; L717-V722 HydrophobicContact CB-CB 4.08Å; L717-V722 HydrophobicContact CB-CG1 4.41Å; L717-V722 WeakPolarHBondContact O-CB 3.48Å; L717-V722 PolarHBondContact O-N 2.96Å; L717-F747 HydrophobicContact CD1-CE1 3.58Å; L717-F747 HydrophobicContact CD1-CZ 3.88Å; L717-F771 HydrophobicContact CD1-CD1 4.16Å; L717-F771 HydrophobicContact CD1-CD2 3.97Å; L717-F771 HydrophobicContact CD1-CE1 4.07Å; L717-F771 HydrophobicContact CD1-CE2 3.86Å; L717-F771 HydrophobicContact CD1-CG 4.11Å; L717-F771 HydrophobicContact CD1-CZ 3.92Å; L717-F771 HydrophobicContact CD2-CD1 4.11Å; L717-F771 HydrophobicContact CD2-CG 4.34Å
718	Q	73.3	Confident	78.2	Confident	84 Å²	84	50.6 Å²	50.6	39%	0.393	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-42.7	176.4	-76.2	179.5	-22.7	0	0	112.2	R714 L715 L720 G721 V722	R714-Q718 HydrophobicContact CG-CG 4.15Å; R714-Q718 WeakPolarHBondContact O-CB 3.08Å; R714-Q718 WeakPolarHBondContact O-CG 3.23Å; R714-Q718 PolarHBondContact O-N 3.49Å; L715-Q718 PolarHBondContact O-N 3.34Å; Q718-L720 PolarHBondContact O-N 3.33Å; Q718-G721 PolarHBondContact O-N 3.02Å; Q718-V722 WeakPolarHBondContact CA-O 3.32Å
719	Y	67.7	Low	78.1	Confident	198 Å²	198	54.1 Å²	54.1	78%	0.776	29%	0.293	S	S	*	.	H	α-helix	trans	-56.7	-30.2	173.9	179.6	-101.2	0	0	0	112	L715 N716	L715-Y719 VanDerWaalsContact O-CB 3.27Å; L715-Y719 WeakPolarHBondContact O-CB 3.5Å; L715-Y719 PolarHBondContact O-N 2.86Å; N716-Y719 PolarHBondContact O-N 3.37Å
720	L	62.8	Low	78.3	Confident	62 Å²	62	58.2 Å²	58.2	33%	0.325	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	10.6	179.3	-61.6	163.7	0	0	0	113.6	I634 N716 L717 Q718	I634-L720 HydrophobicContact CB-CD1 3.91Å; I634-L720 HydrophobicContact CD1-CD1 3.18Å; I634-L720 HydrophobicContact CG1-CD1 4.03Å; I634-L720 HydrophobicContact CG2-CD1 4.16Å; N716-L720 VanDerWaalsContact O-CD1 3.27Å; N716-L720 WeakPolarHBondContact O-CD1 3.41Å; N716-L720 VanDerWaalsContact O-CG 3.23Å; N716-L720 WeakPolarHBondContact O-CG 3.49Å; N716-L720 PolarHBondContact O-N 2.79Å; L717-L720 CarbonylContact O-C 3.5Å; L717-L720 PolarHBondContact O-N 3.45Å; L717-L720 VanDerWaalsContact O-N 3.13Å; Q718-L720 PolarHBondContact O-N 3.33Å
721	G	69	Low	78.8	Confident	65 Å²	65	61.3 Å²	61.3	67%	0.67	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	9.7	175.3	0	0	0	0	0	115.4	L717 Q718	L717-G721 PolarHBondContact O-N 3.45Å; Q718-G721 PolarHBondContact O-N 3.02Å
722	V	72.9	Confident	79.3	Confident	20 Å²	20	62.4 Å²	62.4	12%	0.121	34%	0.336	C	S	.	.			trans	-91	115.5	174.8	178.5	0	0	0	0	109.8	L658 L717 Q718 F771	L658-V722 HydrophobicContact CD1-CG2 4.01Å; L717-V722 CarbonylContact C-O 3.21Å; L717-V722 HydrophobicContact CB-CB 4.08Å; L717-V722 HydrophobicContact CB-CG1 4.41Å; L717-V722 WeakPolarHBondContact O-CB 3.48Å; L717-V722 PolarHBondContact O-N 2.96Å; Q718-V722 WeakPolarHBondContact CA-O 3.32Å; V722-F771 HydrophobicContact CG1-CE1 3.65Å; V722-F771 HydrophobicContact CG1-CZ 3.88Å; V722-F771 HydrophobicContact CG2-CE1 4.28Å
723	S	81.4	Confident	79.6	Confident	89 Å²	89	63 Å²	63	62%	0.622	34%	0.341	S	S	*	.			trans	-84.6	120.3	173.2	-173.6	0	0	0	0	110.9	P725	S723-P725 WeakPolarHBondContact O-CD 3.41Å
724	C	80.9	Confident	80.2	Confident	8 Å²	8	64 Å²	64	5%	0.054	35%	0.346	C	S	.	.			trans	-109.3	81.9	175	-67.7	0	0	0	0	109.9	N726 I727 C745	C724-N726 VanDerWaalsContact C-N 3.35Å; C724-I727 HydrophobicContact CB-CD1 4.18Å; C724-I727 HydrophobicContact CB-CG1 3.97Å; C724-C745 WeakPolarHBondContact CA-SG 3.49Å; C724-C745 HydrophobicContact CB-CB 3.64Å; C724-C745 WeakPolarHBondContact CB-SG 3.26Å; C724-C745 WeakPolarHBondContact SG-CB 3.29Å; C724-C745 CovalentContact SG-SG 2.03Å; C724-C745 PolarHBondContact SG-SG 3.25Å
725	P	81.4	Confident	80.8	Confident	86 Å²	86	60.6 Å²	60.6	56%	0.558	33%	0.333	S	S	*	.	S	Bend	trans	-66.9	-38.3	-178.1	26	-33.7	0	0	0	112	S723	S723-P725 WeakPolarHBondContact O-CD 3.41Å
726	N	85.8	Confident	81.8	Confident	92 Å²	92	56.9 Å²	56.9	49%	0.492	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.2	175	-68.9	-25.2	0	0	0	108.9	C724 S744 C745	C724-N726 VanDerWaalsContact C-N 3.35Å; N726-S744 CarbonylContact O-C 3.36Å; N726-S744 VanDerWaalsContact O-CA 3.23Å; N726-S744 WeakPolarHBondContact O-CA 3.38Å; N726-S744 WeakPolarHBondContact O-CB 3.39Å; N726-C745 PolarHBondContact O-N 2.96Å
727	I	86.1	Confident	82.8	Confident	45 Å²	45	54.8 Å²	54.8	23%	0.231	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.3	178	-66.5	167.8	0	0	0	108.9	R714 C724 Y729 C745 F747	R714-I727 HydrophobicContact CB-CD1 3.88Å; R714-I727 HydrophobicContact CG-CD1 3.72Å; C724-I727 HydrophobicContact CB-CD1 4.18Å; C724-I727 HydrophobicContact CB-CG1 3.97Å; I727-Y729 HydrophobicContact CG2-CD2 4.49Å; I727-Y729 HydrophobicContact CG2-CE2 3.87Å; I727-C745 WeakPolarHBondContact CA-O 3.28Å; I727-C745 HydrophobicContact CG1-CB 4.44Å; I727-F747 HydrophobicContact CD1-CE2 4.09Å; I727-F747 HydrophobicContact CG1-CE2 4.21Å; I727-F747 HydrophobicContact CG2-CD2 3.53Å; I727-F747 HydrophobicContact CG2-CE2 3.74Å
728	T	88.1	Confident	83.6	Confident	58 Å²	58	57.3 Å²	57.3	36%	0.356	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	161.2	171.6	62.2	0	0	0	0	109.3	C745 V746 F747	T728-C745 PolarHBondContact N-O 3.28Å; T728-V746 CarbonylContact O-C 3.59Å; T728-V746 WeakPolarHBondContact O-CA 3.39Å; T728-V746 WeakPolarHBondContact OG1-CG2 3.45Å; T728-F747 PolarHBondContact O-N 2.78Å
729	Y	87.6	Confident	84.3	Confident	74 Å²	74	53.9 Å²	53.9	29%	0.29	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.2	176.4	-66.6	-93.6	0	0	0	109.6	Q600 N616 I727 F747	Q600-Y729 HydrophobicContact CG-CE1 4.18Å; Q600-Y729 VanDerWaalsContact NE2-CG 3.3Å; N616-Y729 PolarHBondContact ND2-OH 2.67Å; I727-Y729 HydrophobicContact CG2-CD2 4.49Å; I727-Y729 HydrophobicContact CG2-CE2 3.87Å; Y729-F747 CarbonylContact C-O 3.49Å; Y729-F747 VanDerWaalsContact CA-O 3.28Å; Y729-F747 WeakPolarHBondContact CA-O 3.36Å; Y729-F747 HydrophobicContact CD1-CB 3.51Å; Y729-F747 HydrophobicContact CE1-CB 3.48Å; Y729-F747 VanDerWaalsContact CE1-CB 3.48Å; Y729-F747 AromaticContact CE1-CD2 3.95Å; Y729-F747 HydrophobicContact CE1-CD2 3.95Å; Y729-F747 HydrophobicContact CE1-CG 4.19Å; Y729-F747 HydrophobicContact CG-CB 4.35Å; Y729-F747 AromaticContact CZ-CD2 3.99Å
730	K	88.9	Confident	85.1	Confident	98 Å²	98	48 Å²	48	43%	0.426	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	142.6	175.5	-69.1	-171.5	-176.9	174.1	0	110.6	S732 V746 F747 Q748 A749	K730-S732 PolarHBondContact O-N 3.4Å; K730-V746 HydrophobicContact CB-CG1 3.86Å; K730-V746 HydrophobicContact CD-CG1 3.92Å; K730-V746 HydrophobicContact CG-CG1 3.76Å; K730-F747 PolarHBondContact N-O 3.32Å; K730-Q748 PolarHBondContact O-OE1 2.64Å; K730-A749 PolarHBondContact O-N 3.4Å; K730-A749 VanDerWaalsContact O-N 3.15Å
731	T	90.2	Very high	86.1	Confident	76 Å²	76	48.9 Å²	48.9	47%	0.466	29%	0.294	S	S	.	.			trans	-81	94.9	165.3	-55.4	0	0	0	0	108.3	N750 W753	T731-N750 HydrophobicContact CG2-CB 4.25Å; T731-W753 HydrophobicContact CG2-CD2 3.55Å; T731-W753 HydrophobicContact CG2-CE3 4.33Å; T731-W753 HydrophobicContact CG2-CG 3.69Å; T731-W753 HydrophobicContact CG2-CZ2 3.83Å; T731-W753 VanDerWaalsContact CG2-NE1 3.28Å
732	S	91.5	Very high	86.9	Confident	23 Å²	23	49.3 Å²	49.3	16%	0.161	28%	0.284	C	S	.	.			trans	-150.9	138.7	-174.1	172.9	0	0	0	0	111.3	K730 M734 A735 Q748	K730-S732 PolarHBondContact O-N 3.4Å; S732-M734 PolarHBondContact O-N 3.45Å; S732-M734 VanDerWaalsContact O-N 3.16Å; S732-M734 PolarHBondContact OG-N 3.34Å; S732-A735 PolarHBondContact O-N 2.83Å; S732-A735 VanDerWaalsContact O-N 3.11Å; S732-Q748 PolarHBondContact O-NE2 3.22Å
733	S	91.9	Very high	87.5	Confident	26 Å²	26	56.9 Å²	56.9	18%	0.182	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20	177.1	-61.9	0	0	0	0	113.3	R363 W753 A758 R770	R363-S733 PolarHBondContact NH2-OG 3.23Å; S733-W753 WeakPolarHBondContact CA-O 3.28Å; S733-A758 WeakPolarHBondContact O-CB 3.25Å; S733-R770 PolarHBondContact O-NH2 3.01Å
734	M	91.1	Very high	87.9	Confident	42 Å²	42	52.9 Å²	52.9	21%	0.207	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-20.5	177.6	-65.4	-178.2	-71.5	0	0	113.2	S732 Y737 F768 R770	S732-M734 PolarHBondContact O-N 3.45Å; S732-M734 VanDerWaalsContact O-N 3.16Å; S732-M734 PolarHBondContact OG-N 3.34Å; M734-Y737 HydrophobicContact CB-CD1 4.1Å; M734-Y737 HydrophobicContact CB-CE1 4.4Å; M734-F768 HydrophobicContact CE-CD2 3.84Å; M734-F768 HydrophobicContact CE-CE2 3.76Å; M734-F768 HydrophobicContact SD-CD2 3.79Å; M734-F768 HydrophobicContact SD-CE2 4.29Å; M734-R770 PolarHBondContact O-NE 3.38Å
735	A	90.7	Very high	88.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.28	C	S	.	.			trans	-70.3	141.2	-178.9	0	0	0	0	0	111.3	S732 Y737 Q748	S732-A735 PolarHBondContact O-N 2.83Å; S732-A735 VanDerWaalsContact O-N 3.11Å; A735-Y737 HydrophobicContact CB-CD1 4.21Å; A735-Y737 HydrophobicContact CB-CE1 4.32Å; A735-Q748 HydrophobicContact CB-CB 4.03Å
736	P	92.1	Very high	88.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	S	Bend	cis	-86.2	142.7	6	31.1	-26.3	0	0	0	113.5	V711 V746 F747 F771	V711-P736 HydrophobicContact CB-CG 4.47Å; V711-P736 HydrophobicContact CG2-CG 3.76Å; P736-V746 CarbonylContact C-O 3.59Å; P736-V746 VanDerWaalsContact CA-O 3.25Å; P736-V746 WeakPolarHBondContact CA-O 3.14Å; P736-F747 HydrophobicContact CB-CD1 3.99Å; P736-F771 HydrophobicContact CB-CB 4.48Å; P736-F771 HydrophobicContact CB-CD2 4.13Å; P736-F771 HydrophobicContact CG-CB 4.22Å; P736-F771 PolarHBondContact O-N 2.92Å
737	Y	91.9	Very high	88.9	Confident	5 Å²	5	44 Å²	44	2%	0.02	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	158.6	-179.9	65.6	-94.8	0	0	0	113.4	M734 A735 D739 V746 F768 S769	M734-Y737 HydrophobicContact CB-CD1 4.1Å; M734-Y737 HydrophobicContact CB-CE1 4.4Å; A735-Y737 HydrophobicContact CB-CD1 4.21Å; A735-Y737 HydrophobicContact CB-CE1 4.32Å; Y737-D739 HydrophobicContact CD2-CB 4.28Å; Y737-D739 HydrophobicContact CE2-CB 3.86Å; Y737-V746 HydrophobicContact CD1-CB 4.17Å; Y737-V746 HydrophobicContact CD2-CB 4.13Å; Y737-V746 HydrophobicContact CD2-CG2 4.12Å; Y737-V746 HydrophobicContact CE1-CB 3.78Å; Y737-V746 HydrophobicContact CE1-CG1 3.75Å; Y737-V746 HydrophobicContact CE1-CG2 4.36Å; Y737-V746 HydrophobicContact CE2-CB 3.76Å; Y737-V746 HydrophobicContact CE2-CG1 4.39Å; Y737-V746 HydrophobicContact CE2-CG2 3.49Å; Y737-V746 VanDerWaalsContact CE2-CG2 3.49Å; Y737-V746 HydrophobicContact CG-CB 4.32Å; Y737-V746 PolarHBondContact N-O 2.81Å; Y737-V746 PolarHBondContact O-N 3.08Å; Y737-F768 HydrophobicContact CD2-CB 3.77Å; Y737-F768 AromaticContact CD2-CD1 3.73Å; Y737-F768 HydrophobicContact CD2-CD1 3.73Å; Y737-F768 AromaticContact CD2-CG 3.83Å; Y737-F768 HydrophobicContact CD2-CG 3.83Å; Y737-F768 HydrophobicContact CE2-CB 4.26Å; Y737-F768 AromaticContact CE2-CD1 3.4Å; Y737-F768 HydrophobicContact CE2-CD1 3.4Å; Y737-F768 VanDerWaalsContact CE2-CD1 3.4Å; Y737-F768 HydrophobicContact CE2-CD2 4.47Å; Y737-F768 AromaticContact CE2-CE1 3.82Å; Y737-F768 HydrophobicContact CE2-CE1 3.82Å; Y737-F768 AromaticContact CE2-CG 3.79Å; Y737-F768 HydrophobicContact CE2-CG 3.79Å; Y737-F768 HydrophobicContact CG-CB 4.16Å; Y737-F768 HydrophobicContact CG-CG 4.48Å; Y737-S769 CarbonylContact C-O 3.58Å; Y737-S769 WeakPolarHBondContact CA-O 3.42Å; Y737-S769 WeakPolarHBondContact CB-O 3.03Å
738	W	90.4	Very high	89.1	Confident	53 Å²	53	41.9 Å²	41.9	20%	0.201	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	121.5	164.7	175.3	-104	0	0	0	110.2	L636 R743 S769 F771	L636-W738 HydrophobicContact CD1-CB 4.11Å; W738-R743 HydrophobicContact CH2-CB 4.06Å; W738-R743 WeakPolarHBondContact CH2-O 3.28Å; W738-R743 HydrophobicContact CZ2-CB 4.03Å; W738-R743 HydrophobicContact CZ2-CG 4.43Å; W738-S769 PolarHBondContact N-O 3.24Å; W738-S769 PolarHBondContact O-N 3.2Å; W738-S769 VanDerWaalsContact O-N 3.11Å; W738-F771 HydrophobicContact CB-CE2 4.34Å; W738-F771 HydrophobicContact CB-CZ 3.93Å
739	D	88.7	Confident	89.1	Confident	11 Å²	11	40.8 Å²	40.8	6%	0.059	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	109.5	172.3	-167.3	-29.5	0	0	0	109.7	Y737 A741 T742 R743 S744 V746 F768	Y737-D739 HydrophobicContact CD2-CB 4.28Å; Y737-D739 HydrophobicContact CE2-CB 3.86Å; D739-A741 VanDerWaalsContact C-N 3.3Å; D739-A741 PolarHBondContact O-N 2.91Å; D739-A741 WeakPolarHBondContact OD1-CB 3.38Å; D739-A741 PolarHBondContact OD1-N 2.97Å; D739-T742 VanDerWaalsContact CB-OG1 3.27Å; D739-T742 WeakPolarHBondContact CB-OG1 3.29Å; D739-T742 PolarHBondContact OD1-N 2.79Å; D739-T742 PolarHBondContact OD2-OG1 3.02Å; D739-R743 VanDerWaalsContact O-CA 3.23Å; D739-R743 WeakPolarHBondContact O-CA 3.4Å; D739-R743 PolarHBondContact O-N 3.23Å; D739-S744 PolarHBondContact N-O 3.18Å; D739-S744 PolarHBondContact O-N 3.33Å; D739-V746 HydrophobicContact CB-CG2 3.98Å; D739-F768 HydrophobicContact CB-CD1 4.5Å
740	N	83.9	Confident	89	Confident	74 Å²	74	39.6 Å²	39.6	40%	0.396	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-27.2	-179.6	-168.9	64.4	0	0	0	113	R639 V767	R639-N740 PolarHBondContact NH2-ND2 3.34Å; N740-V767 HydrophobicContact CB-CG1 4.24Å
741	A	84.2	Confident	88.8	Confident	81 Å²	81	35.7 Å²	35.7	67%	0.669	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-43.3	-177.8	0	0	0	0	0	111.6	D739 V767	D739-A741 VanDerWaalsContact C-N 3.3Å; D739-A741 PolarHBondContact O-N 2.91Å; D739-A741 WeakPolarHBondContact OD1-CB 3.38Å; D739-A741 PolarHBondContact OD1-N 2.97Å; A741-V767 HydrophobicContact CB-CG1 3.86Å
742	T	85.5	Confident	88.8	Confident	75 Å²	75	33.6 Å²	33.6	46%	0.46	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-4.4	179.2	56.5	0	0	0	0	113.6	D739 S744	D739-T742 VanDerWaalsContact CB-OG1 3.27Å; D739-T742 WeakPolarHBondContact CB-OG1 3.29Å; D739-T742 PolarHBondContact OD1-N 2.79Å; D739-T742 PolarHBondContact OD2-OG1 3.02Å; T742-S744 PolarHBondContact O-N 3.37Å; T742-S744 PolarHBondContact OG1-OG 2.96Å
743	R	85.9	Confident	88.8	Confident	179 Å²	179	36.1 Å²	36.1	68%	0.675	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	46.1	-172.7	-62.4	-175.8	174.7	-178.5	-1.3	111.8	W738 D739	W738-R743 HydrophobicContact CH2-CB 4.06Å; W738-R743 WeakPolarHBondContact CH2-O 3.28Å; W738-R743 HydrophobicContact CZ2-CB 4.03Å; W738-R743 HydrophobicContact CZ2-CG 4.43Å; D739-R743 VanDerWaalsContact O-CA 3.23Å; D739-R743 WeakPolarHBondContact O-CA 3.4Å; D739-R743 PolarHBondContact O-N 3.23Å
744	S	88.2	Confident	88.9	Confident	4 Å²	4	35.6 Å²	35.6	3%	0.028	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.8	-176.1	65.6	0	0	0	0	112.2	N726 D739 T742	N726-S744 CarbonylContact O-C 3.36Å; N726-S744 VanDerWaalsContact O-CA 3.23Å; N726-S744 WeakPolarHBondContact O-CA 3.38Å; N726-S744 WeakPolarHBondContact O-CB 3.39Å; D739-S744 PolarHBondContact N-O 3.18Å; D739-S744 PolarHBondContact O-N 3.33Å; T742-S744 PolarHBondContact O-N 3.37Å; T742-S744 PolarHBondContact OG1-OG 2.96Å
745	C	89.7	Confident	89.1	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	123	162.3	-64.7	0	0	0	0	108.7	C724 N726 I727 T728 F747 F771	C724-C745 WeakPolarHBondContact CA-SG 3.49Å; C724-C745 HydrophobicContact CB-CB 3.64Å; C724-C745 WeakPolarHBondContact CB-SG 3.26Å; C724-C745 WeakPolarHBondContact SG-CB 3.29Å; C724-C745 CovalentContact SG-SG 2.03Å; C724-C745 PolarHBondContact SG-SG 3.25Å; N726-C745 PolarHBondContact O-N 2.96Å; I727-C745 WeakPolarHBondContact CA-O 3.28Å; I727-C745 HydrophobicContact CG1-CB 4.44Å; T728-C745 PolarHBondContact N-O 3.28Å; C745-F747 HydrophobicContact CB-CE1 4.4Å; C745-F747 HydrophobicContact CB-CZ 4.25Å; C745-F771 HydrophobicContact CB-CE2 4.33Å
746	V	90.8	Very high	89.3	Confident	1 Å²	1	34 Å²	34	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112	176.2	-172.6	0	0	0	0	108	T728 K730 P736 Y737 D739	T728-V746 CarbonylContact O-C 3.59Å; T728-V746 WeakPolarHBondContact O-CA 3.39Å; T728-V746 WeakPolarHBondContact OG1-CG2 3.45Å; K730-V746 HydrophobicContact CB-CG1 3.86Å; K730-V746 HydrophobicContact CD-CG1 3.92Å; K730-V746 HydrophobicContact CG-CG1 3.76Å; P736-V746 CarbonylContact C-O 3.59Å; P736-V746 VanDerWaalsContact CA-O 3.25Å; P736-V746 WeakPolarHBondContact CA-O 3.14Å; Y737-V746 HydrophobicContact CD1-CB 4.17Å; Y737-V746 HydrophobicContact CD2-CB 4.13Å; Y737-V746 HydrophobicContact CD2-CG2 4.12Å; Y737-V746 HydrophobicContact CE1-CB 3.78Å; Y737-V746 HydrophobicContact CE1-CG1 3.75Å; Y737-V746 HydrophobicContact CE1-CG2 4.36Å; Y737-V746 HydrophobicContact CE2-CB 3.76Å; Y737-V746 HydrophobicContact CE2-CG1 4.39Å; Y737-V746 HydrophobicContact CE2-CG2 3.49Å; Y737-V746 VanDerWaalsContact CE2-CG2 3.49Å; Y737-V746 HydrophobicContact CG-CB 4.32Å; Y737-V746 PolarHBondContact N-O 2.81Å; Y737-V746 PolarHBondContact O-N 3.08Å; D739-V746 HydrophobicContact CB-CG2 3.98Å
747	F	90.4	Very high	89.4	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	155.2	178.3	-69	-38.8	0	0	0	112	N712 R714 L717 I727 T728 Y729 K730 P736 C745	N712-F747 VanDerWaalsContact OD1-CA 3.29Å; N712-F747 WeakPolarHBondContact OD1-CA 3.38Å; N712-F747 VanDerWaalsContact OD1-CB 3.23Å; N712-F747 WeakPolarHBondContact OD1-CB 3.4Å; R714-F747 HydrophobicContact CB-CE2 4.22Å; R714-F747 HydrophobicContact CB-CZ 4.43Å; L717-F747 HydrophobicContact CD1-CE1 3.58Å; L717-F747 HydrophobicContact CD1-CZ 3.88Å; I727-F747 HydrophobicContact CD1-CE2 4.09Å; I727-F747 HydrophobicContact CG1-CE2 4.21Å; I727-F747 HydrophobicContact CG2-CD2 3.53Å; I727-F747 HydrophobicContact CG2-CE2 3.74Å; T728-F747 PolarHBondContact O-N 2.78Å; Y729-F747 CarbonylContact C-O 3.49Å; Y729-F747 VanDerWaalsContact CA-O 3.28Å; Y729-F747 WeakPolarHBondContact CA-O 3.36Å; Y729-F747 HydrophobicContact CD1-CB 3.51Å; Y729-F747 HydrophobicContact CE1-CB 3.48Å; Y729-F747 VanDerWaalsContact CE1-CB 3.48Å; Y729-F747 AromaticContact CE1-CD2 3.95Å; Y729-F747 HydrophobicContact CE1-CD2 3.95Å; Y729-F747 HydrophobicContact CE1-CG 4.19Å; Y729-F747 HydrophobicContact CG-CB 4.35Å; Y729-F747 AromaticContact CZ-CD2 3.99Å; K730-F747 PolarHBondContact N-O 3.32Å; P736-F747 HydrophobicContact CB-CD1 3.99Å; C745-F747 HydrophobicContact CB-CE1 4.4Å; C745-F747 HydrophobicContact CB-CZ 4.25Å
748	Q	90.4	Very high	89.4	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	131.7	175.2	179.6	57.5	-100.3	0	0	110.4	N712 K730 S732 A735 N750 W753 F754	N712-Q748 PolarHBondContact ND2-O 2.85Å; N712-Q748 PolarHBondContact OD1-N 3.05Å; K730-Q748 PolarHBondContact O-OE1 2.64Å; S732-Q748 PolarHBondContact O-NE2 3.22Å; A735-Q748 HydrophobicContact CB-CB 4.03Å; Q748-N750 WeakPolarHBondContact CG-O 3.1Å; Q748-N750 PolarHBondContact OE1-O 2.63Å; Q748-W753 PolarHBondContact NE2-O 2.56Å; Q748-F754 HydrophobicContact CB-CD1 3.96Å; Q748-F754 HydrophobicContact CB-CE1 3.24Å; Q748-F754 HydrophobicContact CB-CZ 3.74Å; Q748-F754 HydrophobicContact CG-CD1 3.83Å; Q748-F754 HydrophobicContact CG-CE1 3.51Å; Q748-F754 HydrophobicContact CG-CE2 4.48Å; Q748-F754 HydrophobicContact CG-CG 4.44Å; Q748-F754 HydrophobicContact CG-CZ 3.88Å
749	A	86.5	Confident	89.3	Confident	34 Å²	34	37.4 Å²	37.4	28%	0.281	21%	0.207	S	C	.	.	S	Bend	trans	-95.2	-10.3	176	0	0	0	0	0	113.5	I599 K730	I599-A749 WeakPolarHBondContact CD1-O 3.33Å; K730-A749 PolarHBondContact O-N 3.4Å; K730-A749 VanDerWaalsContact O-N 3.15Å
750	N	85.8	Confident	88.4	Confident	50 Å²	50	37.9 Å²	37.9	27%	0.267	22%	0.215	S	C	.	.			trans	-142.5	123.4	176.9	-177.1	-15.5	0	0	0	112	T731 Q748 E752 W753	T731-N750 HydrophobicContact CG2-CB 4.25Å; Q748-N750 WeakPolarHBondContact CG-O 3.1Å; Q748-N750 PolarHBondContact OE1-O 2.63Å; N750-E752 PolarHBondContact O-N 2.95Å; N750-E752 VanDerWaalsContact O-N 3.15Å; N750-E752 VanDerWaalsContact OD1-CB 3.31Å; N750-E752 WeakPolarHBondContact OD1-CB 3.18Å; N750-E752 PolarHBondContact OD1-N 2.61Å; N750-W753 HydrophobicContact CB-CG 4.45Å; N750-W753 WeakPolarHBondContact O-CB 3.39Å; N750-W753 PolarHBondContact O-N 3.42Å
751	H	85.1	Confident	87.1	Confident	16 Å²	16	38.6 Å²	38.6	7%	0.074	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-53.9	-33.8	178.6	-77.6	-61.8	0	0	0	113.6	P593 F594 L598 I599 W753 F754	P593-H751 WeakPolarHBondContact CB-NE2 3.39Å; F594-H751 HydrophobicContact CD2-CB 3.85Å; L598-H751 VanDerWaalsContact C-NE2 3.33Å; L598-H751 PolarHBondContact O-NE2 2.85Å; I599-H751 WeakPolarHBondContact CA-NE2 3.19Å; I599-H751 HydrophobicContact CG1-CB 4.43Å; I599-H751 WeakPolarHBondContact CG1-CD2 3.38Å; I599-H751 WeakPolarHBondContact CG1-NE2 3.43Å; H751-W753 PolarHBondContact O-N 3.47Å; H751-W753 VanDerWaalsContact O-N 3.1Å; H751-F754 HydrophobicContact CB-CD2 4.47Å; H751-F754 AromaticContact ND1-CD2 3.9Å; H751-F754 AromaticContact ND1-CE2 3.28Å; H751-F754 VanDerWaalsContact ND1-CE2 3.28Å; H751-F754 WeakPolarHBondContact ND1-CE2 3.42Å; H751-F754 WeakPolarHBondContact O-CD2 3.47Å; H751-F754 PolarHBondContact O-N 3.02Å
752	E	89.2	Confident	85.4	Confident	31 Å²	31	37.1 Å²	37.1	15%	0.145	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-66.6	-11	-179.3	-155	-170	-177.4	0	0	113.7	R363 H372 F594 N750	R363-E752 VanDerWaalsContact CG-CD 3.49Å; R363-E752 HydrophobicContact CG-CG 3.87Å; R363-E752 WeakPolarHBondContact CG-OE1 3.32Å; R363-E752 PolarHBondContact NH1-O 3.35Å; H372-E752 WeakPolarHBondContact CA-OE1 3.4Å; H372-E752 IonicContact CE1-OE1 3.2Å; H372-E752 IonicContact CG-OE1 3.22Å; H372-E752 IonicContact ND1-OE1 2.87Å; H372-E752 PolarHBondContact ND1-OE1 3.36Å; H372-E752 IonicContact ND1-OE2 3.06Å; F594-E752 HydrophobicContact CE2-CB 4.14Å; F594-E752 HydrophobicContact CE2-CG 4.16Å; F594-E752 HydrophobicContact CZ-CG 4.3Å; N750-E752 PolarHBondContact O-N 2.95Å; N750-E752 VanDerWaalsContact O-N 3.15Å; N750-E752 VanDerWaalsContact OD1-CB 3.31Å; N750-E752 WeakPolarHBondContact OD1-CB 3.18Å; N750-E752 PolarHBondContact OD1-N 2.61Å
753	W	92.8	Very high	83.5	Confident	76 Å²	76	41.4 Å²	41.4	29%	0.288	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-101.2	0.3	-179.7	-72.8	72.8	0	0	0	113.8	T731 S733 Q748 N750 H751	T731-W753 HydrophobicContact CG2-CD2 3.55Å; T731-W753 HydrophobicContact CG2-CE3 4.33Å; T731-W753 HydrophobicContact CG2-CG 3.69Å; T731-W753 HydrophobicContact CG2-CZ2 3.83Å; T731-W753 VanDerWaalsContact CG2-NE1 3.28Å; S733-W753 WeakPolarHBondContact CA-O 3.28Å; Q748-W753 PolarHBondContact NE2-O 2.56Å; N750-W753 HydrophobicContact CB-CG 4.45Å; N750-W753 WeakPolarHBondContact O-CB 3.39Å; N750-W753 PolarHBondContact O-N 3.42Å; H751-W753 PolarHBondContact O-N 3.47Å; H751-W753 VanDerWaalsContact O-N 3.1Å
754	F	93.7	Very high	81.7	Confident	16 Å²	16	36.4 Å²	36.4	7%	0.07	23%	0.231	C	C	.	.			trans	-63.5	136.5	166.4	-70.3	-45.1	0	0	0	110.9	F708 P709 N712 Q748 H751	F708-F754 HydrophobicContact CB-CB 3.98Å; F708-F754 HydrophobicContact CB-CD1 3.44Å; F708-F754 VanDerWaalsContact CB-CD1 3.44Å; F708-F754 HydrophobicContact CB-CD2 3.52Å; F708-F754 HydrophobicContact CB-CE1 3.66Å; F708-F754 HydrophobicContact CB-CE2 3.71Å; F708-F754 HydrophobicContact CB-CG 3.38Å; F708-F754 HydrophobicContact CB-CZ 3.79Å; F708-F754 AromaticContact CD1-CD1 3.81Å; F708-F754 HydrophobicContact CD1-CD1 3.81Å; F708-F754 HydrophobicContact CD1-CE1 4.28Å; F708-F754 HydrophobicContact CD1-CG 4.33Å; F708-F754 HydrophobicContact CD2-CB 3.58Å; F708-F754 HydrophobicContact CD2-CD1 4.28Å; F708-F754 AromaticContact CD2-CG 3.98Å; F708-F754 HydrophobicContact CD2-CG 3.98Å; F708-F754 HydrophobicContact CE2-CB 4.17Å; F708-F754 HydrophobicContact CG-CB 3.81Å; F708-F754 AromaticContact CG-CD1 3.61Å; F708-F754 HydrophobicContact CG-CD1 3.61Å; F708-F754 HydrophobicContact CG-CD2 4.3Å; F708-F754 HydrophobicContact CG-CE1 4.2Å; F708-F754 AromaticContact CG-CG 3.67Å; F708-F754 HydrophobicContact CG-CG 3.67Å; P709-F754 HydrophobicContact CG-CE2 4.12Å; N712-F754 HydrophobicContact CB-CE1 4.27Å; N712-F754 HydrophobicContact CB-CZ 3.89Å; Q748-F754 HydrophobicContact CB-CD1 3.96Å; Q748-F754 HydrophobicContact CB-CE1 3.24Å; Q748-F754 HydrophobicContact CB-CZ 3.74Å; Q748-F754 HydrophobicContact CG-CD1 3.83Å; Q748-F754 HydrophobicContact CG-CE1 3.51Å; Q748-F754 HydrophobicContact CG-CE2 4.48Å; Q748-F754 HydrophobicContact CG-CG 4.44Å; Q748-F754 HydrophobicContact CG-CZ 3.88Å; H751-F754 HydrophobicContact CB-CD2 4.47Å; H751-F754 AromaticContact ND1-CD2 3.9Å; H751-F754 AromaticContact ND1-CE2 3.28Å; H751-F754 VanDerWaalsContact ND1-CE2 3.28Å; H751-F754 WeakPolarHBondContact ND1-CE2 3.42Å; H751-F754 WeakPolarHBondContact O-CD2 3.47Å; H751-F754 PolarHBondContact O-N 3.02Å
755	D	95.2	Very high	79.9	Confident	7 Å²	7	38.7 Å²	38.7	4%	0.037	25%	0.247	C	C	.	.			trans	-158.2	112.2	-168.3	-172.5	-29.2	0	0	0	110.2	A359 T757 A758 R770	A359-D755 HydrophobicContact CB-CB 3.92Å; D755-T757 VanDerWaalsContact C-N 3.28Å; D755-T757 PolarHBondContact O-N 2.75Å; D755-T757 WeakPolarHBondContact OD1-CA 3.29Å; D755-T757 WeakPolarHBondContact OD1-CB 3.35Å; D755-T757 PolarHBondContact OD1-N 3.04Å; D755-T757 PolarHBondContact OD1-OG1 3.06Å; D755-A758 HydrophobicContact CB-CB 3.96Å; D755-A758 PolarHBondContact OD1-N 3.36Å; D755-R770 VanDerWaalsContact O-CZ 3.23Å; D755-R770 PolarHBondContact O-NH1 2.83Å; D755-R770 PolarHBondContact O-NH2 2.99Å
756	C	95.9	Very high	78.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-67	-29.9	176.4	-77.1	0	0	0	0	112.7	P386 D387 C643 A644 C703	P386-C756 HydrophobicContact CB-CB 4.1Å; P386-C756 HydrophobicContact CG-CB 3.89Å; D387-C756 WeakPolarHBondContact OD1-CB 3.27Å; D387-C756 PolarHBondContact OD1-N 2.05Å; D387-C756 PolarHBondContact OD1-SG 3.09Å; D387-C756 VanDerWaalsContact OD1-SG 3.36Å; D387-C756 PolarHBondContact OD2-N 2.02Å; D387-C756 VanDerWaalsContact OD2-N 3.16Å; C643-C756 PolarHBondContact N-O 3.46Å; A644-C756 PolarHBondContact N-O 3.46Å; C703-C756 HydrophobicContact CB-CB 3.68Å; C703-C756 WeakPolarHBondContact CB-SG 3.49Å; C703-C756 WeakPolarHBondContact SG-CB 3.23Å; C703-C756 CovalentContact SG-SG 2.04Å; C703-C756 PolarHBondContact SG-SG 3.22Å
757	T	93.9	Very high	77.3	Confident	39 Å²	39	44.2 Å²	44.2	24%	0.239	28%	0.278	C	S	.	.	S	Bend	trans	-90.5	-19.1	-170.8	67.5	0	0	0	0	114.2	P386 S642 D755 S759	P386-T757 HydrophobicContact CG-CG2 3.73Å; S642-T757 VanDerWaalsContact CB-O 3.26Å; S642-T757 WeakPolarHBondContact CB-O 3.12Å; D755-T757 VanDerWaalsContact C-N 3.28Å; D755-T757 PolarHBondContact O-N 2.75Å; D755-T757 WeakPolarHBondContact OD1-CA 3.29Å; D755-T757 WeakPolarHBondContact OD1-CB 3.35Å; D755-T757 PolarHBondContact OD1-N 3.04Å; D755-T757 PolarHBondContact OD1-OG1 3.06Å; T757-S759 PolarHBondContact O-N 3.47Å; T757-S759 VanDerWaalsContact O-N 3.08Å
758	A	92.2	Very high	76.9	Confident	12 Å²	12	45.4 Å²	45.4	10%	0.099	28%	0.283	C	S	.	.			trans	-56.6	117.1	179.8	0	0	0	0	0	111.8	S642 S733 D755 R770	S642-A758 WeakPolarHBondContact CA-O 3.47Å; S733-A758 WeakPolarHBondContact O-CB 3.25Å; D755-A758 HydrophobicContact CB-CB 3.96Å; D755-A758 PolarHBondContact OD1-N 3.36Å; A758-R770 PolarHBondContact O-NH1 3.26Å
759	S	87.3	Confident	76.8	Confident	79 Å²	79	46.1 Å²	46.1	55%	0.552	29%	0.288	S	S	*	.			trans	-118.9	160	168.7	55.4	0	0	0	0	108.2	G640 T757	G640-S759 WeakPolarHBondContact O-CB 3.49Å; T757-S759 PolarHBondContact O-N 3.47Å; T757-S759 VanDerWaalsContact O-N 3.08Å
760	G	68.9	Low	77.1	Confident	21 Å²	21	44.8 Å²	44.8	22%	0.216	28%	0.275	C	S	.	.			trans	-172.8	131.8	-178.4	0	0	0	0	0	114.2	G640	G640-G760 WeakPolarHBondContact CA-O 3.35Å; G640-G760 PolarHBondContact O-N 3.21Å
761	T	56.9	Low	77.3	Confident	90 Å²	90	42.5 Å²	42.5	55%	0.552	26%	0.263	S	S	*	.			trans	-104.1	106.7	160.4	60.2	0	0	0	0	106.6	N763 D766	T761-N763 PolarHBondContact O-N 3.15Å; T761-D766 WeakPolarHBondContact CG2-OD1 3.43Å
762	S	48.1	Very low	77.6	Confident	50 Å²	50	41.8 Å²	41.8	35%	0.35	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-75.6	115.2	173.8	175	0	0	0	0	107.9	G764 S765	S762-G764 VanDerWaalsContact C-N 3.31Å; S762-G764 PolarHBondContact O-N 2.97Å; S762-S765 PolarHBondContact N-O 2.88Å; S762-S765 PolarHBondContact O-N 3.27Å; S762-S765 PolarHBondContact O-OG 2.9Å
763	N	47.6	Very low	77.7	Confident	164 Å²	164	40.3 Å²	40.3	88%	0.877	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	43.1	177	-67.8	-14.5	0	0	0	114.5	T761 S765	T761-N763 PolarHBondContact O-N 3.15Å; N763-S765 PolarHBondContact O-N 3.01Å
764	G	48.1	Very low	77.6	Confident	74 Å²	74	36.7 Å²	36.7	76%	0.763	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	71	10.5	177.8	0	0	0	0	0	114.9	S762	S762-G764 VanDerWaalsContact C-N 3.31Å; S762-G764 PolarHBondContact O-N 2.97Å
765	S	48.9	Very low	77.4	Confident	53 Å²	53	37 Å²	37	37%	0.371	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-115.4	121.1	173.6	58.7	0	0	0	0	110.4	S762 N763 V767	S762-S765 PolarHBondContact N-O 2.88Å; S762-S765 PolarHBondContact O-N 3.27Å; S762-S765 PolarHBondContact O-OG 2.9Å; N763-S765 PolarHBondContact O-N 3.01Å; S765-V767 VanDerWaalsContact CB-CG2 3.48Å; S765-V767 PolarHBondContact O-N 3.16Å; S765-V767 WeakPolarHBondContact OG-CG2 3.44Å
766	D	58.6	Low	76.9	Confident	88 Å²	88	38 Å²	38	47%	0.471	25%	0.245	S	C	.	.			trans	-72.2	64.5	175.8	-71.3	-31.7	0	0	0	110.4	R639 T761	R639-D766 HydrophobicContact CB-CB 3.81Å; R639-D766 VanDerWaalsContact CB-O 3.29Å; R639-D766 WeakPolarHBondContact CB-O 3.39Å; R639-D766 WeakPolarHBondContact CD-O 3.33Å; R639-D766 WeakPolarHBondContact CG-O 3.36Å; T761-D766 WeakPolarHBondContact CG2-OD1 3.43Å
767	V	67.1	Low	76.3	Confident	29 Å²	29	38.7 Å²	38.7	18%	0.176	25%	0.251	C	S	.	.			trans	-87.4	-26.6	-166.4	-170.8	0	0	0	0	113.4	N740 A741 S765	N740-V767 HydrophobicContact CB-CG1 4.24Å; A741-V767 HydrophobicContact CB-CG1 3.86Å; S765-V767 VanDerWaalsContact CB-CG2 3.48Å; S765-V767 PolarHBondContact O-N 3.16Å; S765-V767 WeakPolarHBondContact OG-CG2 3.44Å
768	F	82.6	Confident	75.8	Confident	25 Å²	25	37.1 Å²	37.1	11%	0.11	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.4	-167.9	-47.3	-43.9	0	0	0	112.7	R639 G640 M734 Y737 D739	R639-F768 WeakPolarHBondContact CA-O 3.43Å; G640-F768 PolarHBondContact N-O 3.4Å; G640-F768 VanDerWaalsContact N-O 3.15Å; M734-F768 HydrophobicContact CE-CD2 3.84Å; M734-F768 HydrophobicContact CE-CE2 3.76Å; M734-F768 HydrophobicContact SD-CD2 3.79Å; M734-F768 HydrophobicContact SD-CE2 4.29Å; Y737-F768 HydrophobicContact CD2-CB 3.77Å; Y737-F768 AromaticContact CD2-CD1 3.73Å; Y737-F768 HydrophobicContact CD2-CD1 3.73Å; Y737-F768 AromaticContact CD2-CG 3.83Å; Y737-F768 HydrophobicContact CD2-CG 3.83Å; Y737-F768 HydrophobicContact CE2-CB 4.26Å; Y737-F768 AromaticContact CE2-CD1 3.4Å; Y737-F768 HydrophobicContact CE2-CD1 3.4Å; Y737-F768 VanDerWaalsContact CE2-CD1 3.4Å; Y737-F768 HydrophobicContact CE2-CD2 4.47Å; Y737-F768 AromaticContact CE2-CE1 3.82Å; Y737-F768 HydrophobicContact CE2-CE1 3.82Å; Y737-F768 AromaticContact CE2-CG 3.79Å; Y737-F768 HydrophobicContact CE2-CG 3.79Å; Y737-F768 HydrophobicContact CG-CB 4.16Å; Y737-F768 HydrophobicContact CG-CG 4.48Å; D739-F768 HydrophobicContact CB-CD1 4.5Å
769	S	88.9	Confident	75	Confident	15 Å²	15	38.6 Å²	38.6	11%	0.105	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	110.8	170.8	-79.4	0	0	0	0	109.2	G637 Y737 W738	G637-S769 WeakPolarHBondContact O-CB 3.25Å; G637-S769 PolarHBondContact O-OG 3.09Å; Y737-S769 CarbonylContact C-O 3.58Å; Y737-S769 WeakPolarHBondContact CA-O 3.42Å; Y737-S769 WeakPolarHBondContact CB-O 3.03Å; W738-S769 PolarHBondContact N-O 3.24Å; W738-S769 PolarHBondContact O-N 3.2Å; W738-S769 VanDerWaalsContact O-N 3.11Å
770	R	92.1	Very high	74.7	Confident	6 Å²	6	35.4 Å²	35.4	2%	0.023	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	143.9	-175.2	-60.4	-170.6	68.6	-156.8	-7.5	111.6	G637 S733 M734 D755 A758	G637-R770 PolarHBondContact N-O 3.01Å; S733-R770 PolarHBondContact O-NH2 3.01Å; M734-R770 PolarHBondContact O-NE 3.38Å; D755-R770 VanDerWaalsContact O-CZ 3.23Å; D755-R770 PolarHBondContact O-NH1 2.83Å; D755-R770 PolarHBondContact O-NH2 2.99Å; A758-R770 PolarHBondContact O-NH1 3.26Å
771	F	91	Very high	75.6	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.009	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	110	166.4	-60.9	-68.9	0	0	0	108.1	L636 V711 L717 V722 P736 W738 C745	L636-F771 HydrophobicContact CD1-CD1 3.82Å; L636-F771 HydrophobicContact CD1-CE1 3.65Å; L636-F771 HydrophobicContact CD1-CZ 4.36Å; V711-F771 HydrophobicContact CB-CB 4.25Å; L717-F771 HydrophobicContact CD1-CD1 4.16Å; L717-F771 HydrophobicContact CD1-CD2 3.97Å; L717-F771 HydrophobicContact CD1-CE1 4.07Å; L717-F771 HydrophobicContact CD1-CE2 3.86Å; L717-F771 HydrophobicContact CD1-CG 4.11Å; L717-F771 HydrophobicContact CD1-CZ 3.92Å; L717-F771 HydrophobicContact CD2-CD1 4.11Å; L717-F771 HydrophobicContact CD2-CG 4.34Å; V722-F771 HydrophobicContact CG1-CE1 3.65Å; V722-F771 HydrophobicContact CG1-CZ 3.88Å; V722-F771 HydrophobicContact CG2-CE1 4.28Å; P736-F771 HydrophobicContact CB-CB 4.48Å; P736-F771 HydrophobicContact CB-CD2 4.13Å; P736-F771 HydrophobicContact CG-CB 4.22Å; P736-F771 PolarHBondContact O-N 2.92Å; W738-F771 HydrophobicContact CB-CE2 4.34Å; W738-F771 HydrophobicContact CB-CZ 3.93Å; C745-F771 HydrophobicContact CB-CE2 4.33Å
772	C	91.5	Very high	77.1	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.5	-170	-65.2	0	0	0	0	111.2	V635 C643 V646 C774	V635-C772 PolarHBondContact N-O 2.85Å; V635-C772 PolarHBondContact O-N 3.18Å; C643-C772 WeakPolarHBondContact CA-SG 3.4Å; C643-C772 HydrophobicContact CB-CB 3.59Å; C643-C772 WeakPolarHBondContact CB-SG 3.17Å; C643-C772 WeakPolarHBondContact SG-CA 3.39Å; C643-C772 WeakPolarHBondContact SG-CB 3.18Å; C643-C772 CovalentContact SG-SG 2.05Å; C643-C772 PolarHBondContact SG-SG 2.93Å; V646-C772 HydrophobicContact CG1-CB 4.32Å; C772-C774 PolarHBondContact O-N 3.45Å
773	P	91.2	Very high	79.2	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	114.7	169.5	30.9	-29.1	0	0	0	108.9	L632 C703 S704 H707 F708 V711	L632-P773 HydrophobicContact CD1-CB 3.75Å; C703-P773 WeakPolarHBondContact CA-O 3.35Å; S704-P773 PolarHBondContact N-O 3.05Å; S704-P773 WeakPolarHBondContact O-CG 3.33Å; H707-P773 HydrophobicContact CB-CB 3.69Å; H707-P773 HydrophobicContact CB-CG 4.48Å; F708-P773 HydrophobicContact CD1-CG 3.88Å; F708-P773 HydrophobicContact CD2-CG 4.41Å; F708-P773 HydrophobicContact CE1-CG 4.04Å; F708-P773 HydrophobicContact CG-CG 4.06Å; F708-P773 HydrophobicContact CZ-CG 4.38Å; V711-P773 HydrophobicContact CG1-CB 4.24Å; V711-P773 HydrophobicContact CG2-CB 4.43Å; V711-P773 HydrophobicContact CG2-CG 4.19Å
774	C	90.7	Very high	81.2	Confident	0 Å²	0	21 Å²	21	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	146.6	178	-55.7	0	0	0	0	110.2	L632 K633 C647 L650 F701 R702 C772	L632-C774 CarbonylContact C-O 3.45Å; L632-C774 WeakPolarHBondContact CA-O 3.15Å; K633-C774 HydrophobicContact CB-CB 4.39Å; K633-C774 PolarHBondContact N-O 3.47Å; K633-C774 WeakPolarHBondContact O-CA 3.27Å; K633-C774 WeakPolarHBondContact O-CB 3.36Å; K633-C774 PolarHBondContact O-N 2.87Å; K633-C774 VanDerWaalsContact O-O 3.13Å; C647-C774 WeakPolarHBondContact CA-SG 3.22Å; C647-C774 HydrophobicContact CB-CB 3.75Å; C647-C774 WeakPolarHBondContact CB-SG 3.4Å; C647-C774 WeakPolarHBondContact SG-CA 3.15Å; C647-C774 WeakPolarHBondContact SG-CB 3.07Å; C647-C774 CovalentContact SG-SG 2.03Å; C647-C774 PolarHBondContact SG-SG 2.7Å; L650-C774 HydrophobicContact CD1-CB 3.71Å; L650-C774 VanDerWaalsContact CD1-SG 3.57Å; F701-C774 HydrophobicContact CB-CB 4.22Å; F701-C774 HydrophobicContact CD1-CB 4.47Å; R702-C774 CarbonylContact O-C 3.52Å; R702-C774 VanDerWaalsContact O-CA 3.23Å; R702-C774 WeakPolarHBondContact O-CA 3.3Å; C772-C774 PolarHBondContact O-N 3.45Å
775	R	88.7	Confident	83.1	Confident	23 Å²	23	17.5 Å²	17.5	9%	0.087	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.9	171.6	64.7	171.1	-179.2	75.5	-0	110.7	S631 F701 R702 S704 I782 S783	S631-R775 WeakPolarHBondContact O-CA 3.47Å; F701-R775 CarbonylContact C-O 3.54Å; F701-R775 VanDerWaalsContact CA-O 3.24Å; F701-R775 WeakPolarHBondContact CA-O 3.16Å; F701-R775 WeakPolarHBondContact CB-O 2.98Å; F701-R775 VanDerWaalsContact CD1-C 3.43Å; F701-R775 WeakPolarHBondContact CD1-O 3.45Å; R702-R775 PolarHBondContact N-O 3.28Å; R702-R775 PolarHBondContact O-N 3.31Å; S704-R775 WeakPolarHBondContact OG-CD 3.45Å; R775-I782 PolarHBondContact NH1-O 3.44Å; R775-I782 VanDerWaalsContact NH1-O 3.11Å; R775-I782 PolarHBondContact NH2-O 3.49Å; R775-S783 PolarHBondContact NH2-O 3.14Å
776	D	84.4	Confident	84.5	Confident	29 Å²	29	17 Å²	17	16%	0.155	10%	0.098	C	C	.	.			trans	-69.6	166.7	167.2	68.2	-53.4	0	0	0	110.9	S631 F701 C785 S786	S631-D776 WeakPolarHBondContact CB-OD1 3.48Å; F701-D776 HydrophobicContact CD1-CB 4.41Å; F701-D776 HydrophobicContact CE1-CB 4.14Å; D776-C785 WeakPolarHBondContact O-CA 3.18Å; D776-C785 WeakPolarHBondContact O-CB 3.41Å; D776-C785 WeakPolarHBondContact OD1-CB 3.44Å; D776-S786 WeakPolarHBondContact OD2-CB 3.14Å; D776-S786 PolarHBondContact OD2-N 2.75Å; D776-S786 PolarHBondContact OD2-OG 3.47Å
777	A	84.2	Confident	85.6	Confident	13 Å²	13	14.9 Å²	14.9	11%	0.107	9%	0.086	C	C	.	.			trans	-131.8	144.8	175.4	0	0	0	0	0	109.9	R702 L784	R702-A777 HydrophobicContact CG-CB 4.34Å; A777-L784 CarbonylContact C-O 3.57Å; A777-L784 WeakPolarHBondContact CA-O 3.46Å
778	L	82.6	Confident	86.5	Confident	7 Å²	7	13.5 Å²	13.5	4%	0.037	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-67.8	139	172.5	-74.1	-179.5	0	0	0	109.3	I682 N780 Q781 L784 L789	I682-L778 HydrophobicContact CD1-CD1 4.12Å; I682-L778 HydrophobicContact CD1-CD2 3.77Å; L778-N780 PolarHBondContact O-N 2.03Å; L778-Q781 HydrophobicContact CB-CB 4.04Å; L778-Q781 CarbonylContact O-C 3.37Å; L778-Q781 PolarHBondContact O-N 3.08Å; L778-L784 HydrophobicContact CD1-CB 3.88Å; L778-L784 HydrophobicContact CG-CB 4.38Å; L778-L784 PolarHBondContact N-O 3.08Å; L778-L789 HydrophobicContact CD1-CD1 3.86Å; L778-L789 HydrophobicContact CD1-CG 4.47Å
779	P	76.3	Confident	86.4	Confident	42 Å²	42	12.8 Å²	12.8	27%	0.273	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	130.1	175.1	-27.3	35	0	0	0	111.1	R685 L698 Y699 Q781	R685-P779 VanDerWaalsContact CZ-O 3.32Å; R685-P779 PolarHBondContact NH1-O 3.25Å; R685-P779 PolarHBondContact NH2-O 3.45Å; L698-P779 HydrophobicContact CB-CB 4.26Å; L698-P779 HydrophobicContact CD1-CB 4.45Å; L698-P779 HydrophobicContact CD2-CB 4.27Å; Y699-P779 HydrophobicContact CE1-CG 4.35Å; P779-Q781 PolarHBondContact O-N 3.34Å
780	N	80.3	Confident	86.2	Confident	12 Å²	12	12.7 Å²	12.7	6%	0.064	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	27.5	-176.6	-64	-33.5	0	0	0	114.5	H569 E570 T690 S692 L698 L778	H569-N780 HydrophobicContact CB-CB 3.75Å; E570-N780 VanDerWaalsContact CB-O 3.26Å; E570-N780 WeakPolarHBondContact CB-O 3.27Å; E570-N780 PolarHBondContact N-O 2.9Å; T690-N780 PolarHBondContact O-ND2 2.89Å; S692-N780 WeakPolarHBondContact CB-OD1 3.45Å; S692-N780 PolarHBondContact N-ND2 3.35Å; L698-N780 WeakPolarHBondContact CD2-OD1 3.15Å; L778-N780 PolarHBondContact O-N 2.03Å
781	Q	88.4	Confident	85.9	Confident	0 Å²	0	13 Å²	13	0%	0	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-153.5	76.3	172.5	-177.2	74.1	-89	0	0	109.7	G575 E578 L778 P779 S783 L784	G575-Q781 PolarHBondContact O-NE2 2.82Å; E578-Q781 PolarHBondContact OE2-NE2 2.61Å; L778-Q781 HydrophobicContact CB-CB 4.04Å; L778-Q781 CarbonylContact O-C 3.37Å; L778-Q781 PolarHBondContact O-N 3.08Å; P779-Q781 PolarHBondContact O-N 3.34Å; Q781-S783 PolarHBondContact O-N 2.72Å; Q781-S783 VanDerWaalsContact O-N 3.08Å; Q781-L784 HydrophobicContact CG-CB 3.98Å; Q781-L784 HydrophobicContact CG-CD1 3.84Å; Q781-L784 HydrophobicContact CG-CG 3.81Å; Q781-L784 PolarHBondContact O-N 3.34Å
782	I	89	Confident	85.6	Confident	14 Å²	14	13.6 Å²	13.6	7%	0.072	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.2	-168.8	-65.8	153.5	0	0	0	112.5	P383 H533 E570 Y697 R702 R775 L784	P383-I782 HydrophobicContact CB-CB 4.35Å; P383-I782 HydrophobicContact CB-CD1 4.2Å; P383-I782 HydrophobicContact CB-CG2 4.19Å; P383-I782 HydrophobicContact CG-CD1 3.59Å; H533-I782 VanDerWaalsContact NE2-CD1 3.29Å; H533-I782 WeakPolarHBondContact NE2-CD1 3.27Å; E570-I782 PolarHBondContact OE2-N 2.96Å; Y697-I782 HydrophobicContact CE1-CD1 3.74Å; Y697-I782 HydrophobicContact CE1-CG1 4.21Å; R702-I782 HydrophobicContact CG-CG2 4Å; R775-I782 PolarHBondContact NH1-O 3.44Å; R775-I782 VanDerWaalsContact NH1-O 3.11Å; R775-I782 PolarHBondContact NH2-O 3.49Å; I782-L784 VanDerWaalsContact C-N 3.34Å; I782-L784 PolarHBondContact O-N 3.34Å
783	S	91.1	Very high	85.3	Confident	10 Å²	10	14.4 Å²	14.4	7%	0.07	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-24.8	-179.5	-73.8	0	0	0	0	115.3	F390 R579 Y583 R775 Q781	F390-S783 WeakPolarHBondContact CB-OG 3.46Å; F390-S783 VanDerWaalsContact CD1-OG 3.3Å; F390-S783 WeakPolarHBondContact CD1-OG 3.16Å; R579-S783 WeakPolarHBondContact CD-OG 3.44Å; Y583-S783 WeakPolarHBondContact OH-CB 3.04Å; Y583-S783 PolarHBondContact OH-OG 2.86Å; R775-S783 PolarHBondContact NH2-O 3.14Å; Q781-S783 PolarHBondContact O-N 2.72Å; Q781-S783 VanDerWaalsContact O-N 3.08Å
784	L	90.7	Very high	84.9	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.09	C	C	.	.			trans	-115.7	134.2	-172.2	-57.5	-175.6	0	0	0	109.6	E578 A582 W626 A777 L778 Q781 I782 C788 L789	E578-L784 HydrophobicContact CG-CD1 3.93Å; A582-L784 HydrophobicContact CB-CD1 4.25Å; A582-L784 HydrophobicContact CB-CD2 3.63Å; W626-L784 HydrophobicContact CH2-CD2 4.27Å; W626-L784 HydrophobicContact CZ2-CD2 3.96Å; A777-L784 CarbonylContact C-O 3.57Å; A777-L784 WeakPolarHBondContact CA-O 3.46Å; L778-L784 HydrophobicContact CD1-CB 3.88Å; L778-L784 HydrophobicContact CG-CB 4.38Å; L778-L784 PolarHBondContact N-O 3.08Å; Q781-L784 HydrophobicContact CG-CB 3.98Å; Q781-L784 HydrophobicContact CG-CD1 3.84Å; Q781-L784 HydrophobicContact CG-CG 3.81Å; Q781-L784 PolarHBondContact O-N 3.34Å; I782-L784 VanDerWaalsContact C-N 3.34Å; I782-L784 PolarHBondContact O-N 3.34Å; L784-C788 HydrophobicContact CB-CB 4.32Å; L784-L789 HydrophobicContact CD1-CD2 3.68Å; L784-L789 HydrophobicContact CD1-CG 4.33Å
785	C	87	Confident	84.5	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.096	C	C	.	.			trans	-83	166.6	168.6	68.2	0	0	0	0	111.3	S631 D776 N787 C788	S631-C785 WeakPolarHBondContact CB-SG 3.36Å; S631-C785 PolarHBondContact OG-SG 2.88Å; D776-C785 WeakPolarHBondContact O-CA 3.18Å; D776-C785 WeakPolarHBondContact O-CB 3.41Å; D776-C785 WeakPolarHBondContact OD1-CB 3.44Å; C785-N787 PolarHBondContact O-N 3.39Å; C785-N787 VanDerWaalsContact O-N 3.15Å; C785-C788 HydrophobicContact CB-CB 4.12Å; C785-C788 WeakPolarHBondContact CB-SG 3.27Å; C785-C788 PolarHBondContact N-SG 2.82Å; C785-C788 WeakPolarHBondContact O-CB 3.41Å; C785-C788 PolarHBondContact O-N 2.93Å; C785-C788 VanDerWaalsContact SG-CA 3.51Å; C785-C788 WeakPolarHBondContact SG-CB 3.03Å; C785-C788 PolarHBondContact SG-N 2.95Å; C785-C788 CovalentContact SG-SG 2.05Å; C785-C788 PolarHBondContact SG-SG 2.67Å
786	S	79.4	Confident	84.3	Confident	42 Å²	42	15.9 Å²	15.9	29%	0.294	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-34.2	176.9	50.6	0	0	0	0	113.9	D776	D776-S786 WeakPolarHBondContact OD2-CB 3.14Å; D776-S786 PolarHBondContact OD2-N 2.75Å; D776-S786 PolarHBondContact OD2-OG 3.47Å
787	N	80.3	Confident	84.2	Confident	43 Å²	43	14.8 Å²	14.8	23%	0.23	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	8.5	-178.8	-61.9	-15.9	0	0	0	113.6	I237 P628 S630 C785	I237-N787 HydrophobicContact CG2-CB 4.13Å; I237-N787 WeakPolarHBondContact CG2-OD1 3.29Å; P628-N787 HydrophobicContact CG-CB 3.76Å; P628-N787 WeakPolarHBondContact CG-O 3.15Å; S630-N787 WeakPolarHBondContact CB-ND2 3.34Å; S630-N787 PolarHBondContact OG-ND2 2.75Å; C785-N787 PolarHBondContact O-N 3.39Å; C785-N787 VanDerWaalsContact O-N 3.15Å
788	C	85.3	Confident	84.2	Confident	1 Å²	1	15 Å²	15	1%	0.007	9%	0.091	C	C	.	.			trans	-83.7	-12.3	-172.8	-78.7	0	0	0	0	114	W626 L784 C785	W626-C788 HydrophobicContact CZ2-CB 4.02Å; W626-C788 PolarHBondContact NE1-O 3.09Å; L784-C788 HydrophobicContact CB-CB 4.32Å; C785-C788 HydrophobicContact CB-CB 4.12Å; C785-C788 WeakPolarHBondContact CB-SG 3.27Å; C785-C788 PolarHBondContact N-SG 2.82Å; C785-C788 WeakPolarHBondContact O-CB 3.41Å; C785-C788 PolarHBondContact O-N 2.93Å; C785-C788 VanDerWaalsContact SG-CA 3.51Å; C785-C788 WeakPolarHBondContact SG-CB 3.03Å; C785-C788 PolarHBondContact SG-N 2.95Å; C785-C788 CovalentContact SG-SG 2.05Å; C785-C788 PolarHBondContact SG-SG 2.67Å
789	L	80.6	Confident	84.4	Confident	9 Å²	9	15.7 Å²	15.7	5%	0.047	10%	0.096	C	C	.	.			trans	-86.6	0	-178.4	-69.5	171.6	0	0	0	111.7	Q239 P240 E578 A582 R586 Y681 I682 L778 L784	Q239-L789 CarbonylContact O-C 3.47Å; P240-L789 HydrophobicContact CB-CD2 4.28Å; P240-L789 HydrophobicContact CG-CB 4.28Å; P240-L789 HydrophobicContact CG-CD1 4.2Å; P240-L789 HydrophobicContact CG-CD2 4.18Å; P240-L789 HydrophobicContact CG-CG 4.47Å; E578-L789 HydrophobicContact CG-CD2 4.02Å; A582-L789 HydrophobicContact CB-CD2 4.44Å; R586-L789 PolarHBondContact NE-OXT 3.28Å; R586-L789 PolarHBondContact NH2-OXT 2.94Å; Y681-L789 HydrophobicContact CD1-CD1 3.65Å; Y681-L789 HydrophobicContact CE1-CD1 3.47Å; Y681-L789 VanDerWaalsContact CE1-CD1 3.47Å; I682-L789 HydrophobicContact CD1-CD1 3.75Å; L778-L789 HydrophobicContact CD1-CD1 3.86Å; L778-L789 HydrophobicContact CD1-CG 4.47Å; L784-L789 HydrophobicContact CD1-CD2 3.68Å; L784-L789 HydrophobicContact CD1-CG 4.33Å

Retrieved 789 of 789 residues in 1564.2 ms (Link to these results)

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