A0A3Q0KDG6_SCHMA Loading...

DUF5641 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KDG6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 251 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.9	Very low	50.2	Low	215 Å²	215	128.3 Å²	128.3	100%	1.059	66%	0.655	S	S	*	*				0	-14.4	0	-64.8	-168.4	-144.7	0	0	114.9	W3 T4	M1-W3 VanDerWaalsContact C-N 3.3Å; M1-W3 PolarHBondContact O-N 2.96Å; M1-T4 PolarHBondContact O-OG1 2.87Å
2	A	52.3	Low	50.8	Low	69 Å²	69	122.9 Å²	122.9	57%	0.57	63%	0.633	S	S	*	*	H	α-helix	trans	-66.9	-24.1	-179.5	0	0	0	0	0	115.3	N6	A2-N6 PolarHBondContact O-N 2.81Å
3	W	46.8	Very low	51.7	Low	226 Å²	226	120.8 Å²	120.8	86%	0.856	62%	0.623	S	S	*	*	H	α-helix	trans	-73.8	-31.7	-171	-63.8	61.3	0	0	0	113	M1 R7	M1-W3 VanDerWaalsContact C-N 3.3Å; M1-W3 PolarHBondContact O-N 2.96Å; W3-R7 PolarHBondContact O-N 2.71Å
4	T	51.1	Low	53	Low	97 Å²	97	118.2 Å²	118.2	60%	0.595	61%	0.611	S	S	*	*	H	α-helix	trans	-75.3	-38	178.8	50.5	0	0	0	0	111.9	M1 N6 R7 V8	M1-T4 PolarHBondContact O-OG1 2.87Å; T4-N6 VanDerWaalsContact C-N 3.3Å; T4-N6 PolarHBondContact O-N 2.7Å; T4-R7 PolarHBondContact O-N 2.94Å; T4-V8 PolarHBondContact O-N 2.66Å
5	M	48.8	Very low	54.4	Low	135 Å²	135	117.3 Å²	117.3	67%	0.665	61%	0.608	S	S	*	*	H	α-helix	trans	-62	-38.9	175	-72	-155.3	167.5	0	0	111.8	R7 V8 N9	M5-R7 VanDerWaalsContact C-N 3.33Å; M5-R7 PolarHBondContact O-N 2.72Å; M5-V8 PolarHBondContact O-N 2.83Å; M5-N9 VanDerWaalsContact O-CB 3.31Å; M5-N9 WeakPolarHBondContact O-CB 3.22Å; M5-N9 PolarHBondContact O-N 3.03Å; M5-N9 PolarHBondContact O-ND2 2.86Å
6	N	51.8	Low	55.7	Low	112 Å²	112	113.9 Å²	113.9	60%	0.599	59%	0.588	S	S	*	*	H	α-helix	trans	-61.3	-39.3	175.4	-81.6	-6.3	0	0	0	112.5	A2 T4 L10	A2-N6 PolarHBondContact O-N 2.81Å; T4-N6 VanDerWaalsContact C-N 3.3Å; T4-N6 PolarHBondContact O-N 2.7Å; N6-L10 VanDerWaalsContact O-CB 3.26Å; N6-L10 WeakPolarHBondContact O-CB 3.14Å; N6-L10 PolarHBondContact O-N 3.35Å
7	R	42.3	Very low	57.1	Low	204 Å²	204	109.9 Å²	109.9	77%	0.77	57%	0.572	S	S	*	*	H	α-helix	trans	-66.9	-43.4	177.1	-79.9	-170.1	176.2	-168.5	-0	113	W3 T4 M5 L10 A11	W3-R7 PolarHBondContact O-N 2.71Å; T4-R7 PolarHBondContact O-N 2.94Å; M5-R7 VanDerWaalsContact C-N 3.33Å; M5-R7 PolarHBondContact O-N 2.72Å; R7-L10 PolarHBondContact O-N 3.3Å; R7-A11 WeakPolarHBondContact O-CB 3.28Å; R7-A11 PolarHBondContact O-N 2.95Å
8	V	52.9	Low	58.5	Low	90 Å²	90	113.9 Å²	113.9	55%	0.545	58%	0.579	S	S	.	*	H	α-helix	trans	-64.8	-45.3	177.8	-179.3	0	0	0	0	109.7	T4 M5 L10 A11 V12	T4-V8 PolarHBondContact O-N 2.66Å; M5-V8 PolarHBondContact O-N 2.83Å; V8-L10 VanDerWaalsContact C-N 3.32Å; V8-L10 PolarHBondContact O-N 2.89Å; V8-A11 PolarHBondContact O-N 3.19Å; V8-V12 HydrophobicContact CG1-CG2 4.17Å; V8-V12 VanDerWaalsContact O-CB 3.27Å; V8-V12 WeakPolarHBondContact O-CB 3.04Å; V8-V12 WeakPolarHBondContact O-CG2 3.3Å; V8-V12 PolarHBondContact O-N 2.96Å
9	N	52.9	Low	59.7	Low	102 Å²	102	110.2 Å²	110.2	55%	0.545	56%	0.557	S	S	.	*	H	α-helix	trans	-61.2	-39.5	176	-70.4	-22.8	0	0	0	112	M5 N13	M5-N9 VanDerWaalsContact O-CB 3.31Å; M5-N9 WeakPolarHBondContact O-CB 3.22Å; M5-N9 PolarHBondContact O-N 3.03Å; M5-N9 PolarHBondContact O-ND2 2.86Å; N9-N13 WeakPolarHBondContact O-CB 3.45Å; N9-N13 PolarHBondContact O-N 2.93Å
10	L	51.6	Low	60.9	Low	110 Å²	110	106.3 Å²	106.3	58%	0.576	54%	0.537	S	S	*	.	H	α-helix	trans	-67.8	-45.4	177.7	-152.2	86.4	0	0	0	112	N6 R7 V8 N13 N14	N6-L10 VanDerWaalsContact O-CB 3.26Å; N6-L10 WeakPolarHBondContact O-CB 3.14Å; N6-L10 PolarHBondContact O-N 3.35Å; R7-L10 PolarHBondContact O-N 3.3Å; V8-L10 VanDerWaalsContact C-N 3.32Å; V8-L10 PolarHBondContact O-N 2.89Å; L10-N13 PolarHBondContact O-N 2.82Å; L10-N14 WeakPolarHBondContact O-CB 3.5Å; L10-N14 PolarHBondContact O-N 3.31Å; L10-N14 PolarHBondContact O-ND2 3.43Å; L10-N14 PolarHBondContact O-OD1 2.94Å
11	A	53.7	Low	62.1	Low	51 Å²	51	106 Å²	106	42%	0.421	54%	0.536	S	S	.	.	H	α-helix	trans	-64.7	-42.4	178.5	0	0	0	0	0	111.7	R7 V8 N14 N15	R7-A11 WeakPolarHBondContact O-CB 3.28Å; R7-A11 PolarHBondContact O-N 2.95Å; V8-A11 PolarHBondContact O-N 3.19Å; A11-N14 PolarHBondContact O-N 3.05Å; A11-N15 PolarHBondContact O-N 2.95Å; A11-N15 PolarHBondContact O-ND2 2.97Å
12	V	57.9	Low	63.9	Low	64 Å²	64	98.7 Å²	98.7	39%	0.388	50%	0.5	S	S	.	.	H	α-helix	trans	-62	-47.4	173.6	174.3	0	0	0	0	109.6	V8 N14 N15 H16	V8-V12 HydrophobicContact CG1-CG2 4.17Å; V8-V12 VanDerWaalsContact O-CB 3.27Å; V8-V12 WeakPolarHBondContact O-CB 3.04Å; V8-V12 WeakPolarHBondContact O-CG2 3.3Å; V8-V12 PolarHBondContact O-N 2.96Å; V12-N14 VanDerWaalsContact C-N 3.33Å; V12-N14 PolarHBondContact O-N 3.31Å; V12-N15 PolarHBondContact O-N 2.81Å; V12-H16 WeakPolarHBondContact CG1-CE1 3.31Å; V12-H16 WeakPolarHBondContact CG1-ND1 3.35Å; V12-H16 PolarHBondContact O-N 3.11Å; V12-H16 VanDerWaalsContact O-N 3.09Å; V12-H16 PolarHBondContact O-ND1 3.17Å
13	N	62.2	Low	65.4	Low	95 Å²	95	95.9 Å²	95.9	51%	0.508	48%	0.476	S	S	.	.	H	α-helix	trans	-58.8	-41.8	176.6	-171	4.9	0	0	0	112.2	N9 L10 N15 H16 S17	N9-N13 WeakPolarHBondContact O-CB 3.45Å; N9-N13 PolarHBondContact O-N 2.93Å; L10-N13 PolarHBondContact O-N 2.82Å; N13-N15 PolarHBondContact O-N 3.07Å; N13-H16 PolarHBondContact O-N 2.95Å; N13-S17 PolarHBondContact O-N 3.1Å; N13-S17 PolarHBondContact O-OG 3.15Å
14	N	69.9	Low	67.4	Low	85 Å²	85	88.1 Å²	88.1	46%	0.455	45%	0.448	S	S	.	.	H	α-helix	trans	-65.2	-38.4	178.5	-68.3	-15.1	0	0	0	113.1	L10 A11 V12 H16 S17 R18	L10-N14 WeakPolarHBondContact O-CB 3.5Å; L10-N14 PolarHBondContact O-N 3.31Å; L10-N14 PolarHBondContact O-ND2 3.43Å; L10-N14 PolarHBondContact O-OD1 2.94Å; A11-N14 PolarHBondContact O-N 3.05Å; V12-N14 VanDerWaalsContact C-N 3.33Å; V12-N14 PolarHBondContact O-N 3.31Å; N14-H16 VanDerWaalsContact C-N 3.32Å; N14-S17 WeakPolarHBondContact CA-OG 3.41Å; N14-S17 PolarHBondContact O-OG 3.26Å; N14-R18 WeakPolarHBondContact O-CB 3.41Å; N14-R18 PolarHBondContact O-N 3.3Å; N14-R18 VanDerWaalsContact O-N 3.07Å
15	N	73.8	Confident	69.1	Low	105 Å²	105	88.1 Å²	88.1	56%	0.561	44%	0.444	S	S	*	.	H	α-helix	trans	-66.2	-39.3	175.3	-70.8	-22.3	0	0	0	111.1	A11 V12 N13 Y19	A11-N15 PolarHBondContact O-N 2.95Å; A11-N15 PolarHBondContact O-ND2 2.97Å; V12-N15 PolarHBondContact O-N 2.81Å; N13-N15 PolarHBondContact O-N 3.07Å; N15-Y19 PolarHBondContact O-N 2.74Å
16	H	75	Confident	70.8	Confident	62 Å²	62	82.7 Å²	82.7	29%	0.287	42%	0.416	S	S	.	.	H	α-helix	trans	-71.6	-38.5	178.1	-71.3	107.7	0	0	0	113.2	V12 N13 N14 R18 Y19 L20 Y54	V12-H16 WeakPolarHBondContact CG1-CE1 3.31Å; V12-H16 WeakPolarHBondContact CG1-ND1 3.35Å; V12-H16 PolarHBondContact O-N 3.11Å; V12-H16 VanDerWaalsContact O-N 3.09Å; V12-H16 PolarHBondContact O-ND1 3.17Å; N13-H16 PolarHBondContact O-N 2.95Å; N14-H16 VanDerWaalsContact C-N 3.32Å; H16-R18 VanDerWaalsContact C-N 3.33Å; H16-Y19 WeakPolarHBondContact O-CB 3.48Å; H16-Y19 PolarHBondContact O-N 3.48Å; H16-L20 PolarHBondContact O-N 2.85Å; H16-Y54 HydrophobicContact CB-CE1 4.28Å; H16-Y54 HydrophobicContact CB-CE2 4.14Å; H16-Y54 VanDerWaalsContact CB-OH 3.24Å; H16-Y54 WeakPolarHBondContact CB-OH 3.49Å; H16-Y54 AromaticContact CD2-CD2 3.48Å; H16-Y54 VanDerWaalsContact CD2-CD2 3.48Å; H16-Y54 WeakPolarHBondContact CD2-CD2 3.42Å; H16-Y54 AromaticContact CD2-CE2 2.96Å; H16-Y54 WeakPolarHBondContact CD2-CE2 3.35Å; H16-Y54 AromaticContact CD2-CZ 3.38Å; H16-Y54 AromaticContact CG-CE2 3.63Å; H16-Y54 AromaticContact CG-CZ 3.67Å; H16-Y54 AromaticContact NE2-CD2 3.84Å; H16-Y54 AromaticContact NE2-CE2 3.48Å; H16-Y54 WeakPolarHBondContact NE2-CE2 3.34Å
17	S	79.9	Confident	72.5	Confident	47 Å²	47	77.4 Å²	77.4	33%	0.329	39%	0.388	S	S	.	.	H	α-helix	trans	-64	-40.6	174.2	68.2	0	0	0	0	111	N13 N14 Y19 L20 I21	N13-S17 PolarHBondContact O-N 3.1Å; N13-S17 PolarHBondContact O-OG 3.15Å; N14-S17 WeakPolarHBondContact CA-OG 3.41Å; N14-S17 PolarHBondContact O-OG 3.26Å; S17-Y19 VanDerWaalsContact C-N 3.31Å; S17-Y19 PolarHBondContact O-N 3.48Å; S17-L20 PolarHBondContact O-N 2.81Å; S17-I21 VanDerWaalsContact O-CG1 3.27Å; S17-I21 WeakPolarHBondContact O-CG1 3.23Å; S17-I21 PolarHBondContact O-N 3.47Å
18	R	82.3	Confident	74.6	Confident	181 Å²	181	72 Å²	72	68%	0.683	37%	0.37	S	S	*	.	H	α-helix	trans	-59.9	-40.4	171.7	-176.8	-178.8	-87	165.1	-8.2	111.9	N14 H16 I21 H22	N14-R18 WeakPolarHBondContact O-CB 3.41Å; N14-R18 PolarHBondContact O-N 3.3Å; N14-R18 VanDerWaalsContact O-N 3.07Å; H16-R18 VanDerWaalsContact C-N 3.33Å; R18-I21 PolarHBondContact O-N 3.2Å; R18-H22 WeakPolarHBondContact O-CB 3.34Å; R18-H22 PolarHBondContact O-N 2.95Å
19	Y	82.1	Confident	76.3	Confident	43 Å²	43	73.6 Å²	73.6	17%	0.169	37%	0.372	C	S	.	.	H	α-helix	trans	-63.3	-44.5	175.5	176.7	-102.5	0	0	0	112.3	N15 H16 S17 I21 H22 C23 Y54 I57 M107 K108 P110	N15-Y19 PolarHBondContact O-N 2.74Å; H16-Y19 WeakPolarHBondContact O-CB 3.48Å; H16-Y19 PolarHBondContact O-N 3.48Å; S17-Y19 VanDerWaalsContact C-N 3.31Å; S17-Y19 PolarHBondContact O-N 3.48Å; Y19-I21 PolarHBondContact O-N 3.48Å; Y19-H22 WeakPolarHBondContact O-CB 3.49Å; Y19-H22 PolarHBondContact O-N 2.83Å; Y19-C23 PolarHBondContact O-N 2.94Å; Y19-C23 PolarHBondContact O-SG 2.9Å; Y19-Y54 HydrophobicContact CD1-CD1 4.02Å; Y19-Y54 HydrophobicContact CE1-CD1 4.13Å; Y19-Y54 HydrophobicContact CE1-CG 4.5Å; Y19-I57 HydrophobicContact CE1-CD1 4.18Å; Y19-M107 HydrophobicContact CD2-CE 4.3Å; Y19-K108 PolarHBondContact OH-O 3.31Å; Y19-P110 VanDerWaalsContact OH-CD 3.28Å; Y19-P110 WeakPolarHBondContact OH-CD 3.5Å
20	L	83.6	Confident	77.8	Confident	32 Å²	32	69 Å²	69	17%	0.168	35%	0.348	C	S	.	.	H	α-helix	trans	-63.8	-39.8	176.4	-70.6	175.8	0	0	0	112.8	H16 S17 H22 C23 K24 L48 P50 Y54 I57	H16-L20 PolarHBondContact O-N 2.85Å; S17-L20 PolarHBondContact O-N 2.81Å; L20-H22 VanDerWaalsContact C-N 3.29Å; L20-H22 PolarHBondContact O-N 3.43Å; L20-C23 PolarHBondContact O-N 2.87Å; L20-K24 WeakPolarHBondContact O-CB 3.26Å; L20-K24 PolarHBondContact O-N 2.93Å; L20-L48 HydrophobicContact CD2-CB 4.37Å; L20-P50 HydrophobicContact CD1-CG 4Å; L20-P50 HydrophobicContact CD2-CB 4.25Å; L20-Y54 HydrophobicContact CD1-CE1 4.17Å; L20-Y54 HydrophobicContact CD2-CD1 4.18Å; L20-Y54 HydrophobicContact CD2-CE1 3.98Å; L20-Y54 HydrophobicContact CG-CE1 3.99Å; L20-I57 HydrophobicContact CD2-CD1 3.99Å
21	I	86	Confident	79.3	Confident	100 Å²	100	64.2 Å²	64.2	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-43.7	174.1	-67.9	163.3	0	0	0	110	S17 R18 Y19 K24 N25	S17-I21 VanDerWaalsContact O-CG1 3.27Å; S17-I21 WeakPolarHBondContact O-CG1 3.23Å; S17-I21 PolarHBondContact O-N 3.47Å; R18-I21 PolarHBondContact O-N 3.2Å; Y19-I21 PolarHBondContact O-N 3.48Å; I21-K24 PolarHBondContact O-N 2.66Å; I21-N25 PolarHBondContact O-N 2.75Å
22	H	84.5	Confident	80.7	Confident	63 Å²	63	66.2 Å²	66.2	29%	0.292	33%	0.333	S	S	.	.	H	α-helix	trans	-62.4	-47.1	176.9	-173.2	62.6	0	0	0	112.1	R18 Y19 L20 K24 N25 Y26 Y104	R18-H22 WeakPolarHBondContact O-CB 3.34Å; R18-H22 PolarHBondContact O-N 2.95Å; Y19-H22 WeakPolarHBondContact O-CB 3.49Å; Y19-H22 PolarHBondContact O-N 2.83Å; L20-H22 VanDerWaalsContact C-N 3.29Å; L20-H22 PolarHBondContact O-N 3.43Å; H22-K24 VanDerWaalsContact C-N 3.32Å; H22-K24 PolarHBondContact O-N 3.27Å; H22-N25 PolarHBondContact O-N 3.2Å; H22-Y26 PolarHBondContact O-N 3.41Å; H22-Y104 AromaticContact CE1-CE1 3.77Å; H22-Y104 AromaticContact CE1-CZ 3.48Å; H22-Y104 VanDerWaalsContact CE1-CZ 3.48Å; H22-Y104 PolarHBondContact CE1-OH 3.24Å; H22-Y104 VanDerWaalsContact CE1-OH 3.29Å; H22-Y104 AromaticContact NE2-CD1 3.98Å; H22-Y104 AromaticContact NE2-CE1 3.47Å; H22-Y104 WeakPolarHBondContact NE2-CE1 3.43Å; H22-Y104 AromaticContact NE2-CE2 3.71Å; H22-Y104 AromaticContact NE2-CZ 3.31Å; H22-Y104 VanDerWaalsContact NE2-CZ 3.31Å
23	C	84.6	Confident	81.9	Confident	10 Å²	10	66.4 Å²	66.4	7%	0.068	34%	0.337	C	S	.	.	H	α-helix	trans	-59.5	-41.2	174.3	-69.1	0	0	0	0	112.3	Y19 L20 Y26 L27 L48	Y19-C23 PolarHBondContact O-N 2.94Å; Y19-C23 PolarHBondContact O-SG 2.9Å; L20-C23 PolarHBondContact O-N 2.87Å; C23-Y26 PolarHBondContact O-N 2.82Å; C23-L27 WeakPolarHBondContact O-CB 3.39Å; C23-L27 VanDerWaalsContact O-CG 3.31Å; C23-L27 WeakPolarHBondContact O-CG 3.42Å; C23-L27 PolarHBondContact O-N 3.37Å; C23-L48 HydrophobicContact CB-CD2 3.91Å
24	K	88.1	Confident	82.6	Confident	63 Å²	63	63.4 Å²	63.4	27%	0.274	33%	0.329	S	S	.	.	H	α-helix	trans	-62.3	-46.6	177.9	-175	170.1	-178.5	166	0	111.5	L20 I21 H22 L27 K28 I45 I46 L48	L20-K24 WeakPolarHBondContact O-CB 3.26Å; L20-K24 PolarHBondContact O-N 2.93Å; I21-K24 PolarHBondContact O-N 2.66Å; H22-K24 VanDerWaalsContact C-N 3.32Å; H22-K24 PolarHBondContact O-N 3.27Å; K24-L27 PolarHBondContact O-N 2.88Å; K24-K28 WeakPolarHBondContact O-CG 3.29Å; K24-K28 PolarHBondContact O-N 3.5Å; K24-I45 WeakPolarHBondContact CE-O 3.13Å; K24-I45 PolarHBondContact NZ-O 2.86Å; K24-I46 PolarHBondContact NZ-O 3.18Å; K24-L48 HydrophobicContact CB-CD1 3.72Å; K24-L48 HydrophobicContact CB-CD2 4.24Å; K24-L48 HydrophobicContact CD-CD1 3.96Å; K24-L48 HydrophobicContact CG-CD1 3.77Å
25	N	87.3	Confident	82.8	Confident	96 Å²	96	64 Å²	64	51%	0.513	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-43.5	179.3	-70.3	-10.2	0	0	0	111.5	I21 H22 K28 E29	I21-N25 PolarHBondContact O-N 2.75Å; H22-N25 PolarHBondContact O-N 3.2Å; N25-K28 WeakPolarHBondContact O-CB 3.37Å; N25-K28 PolarHBondContact O-N 2.85Å; N25-E29 PolarHBondContact O-N 2.89Å
26	Y	85.1	Confident	82.6	Confident	21 Å²	21	59.6 Å²	59.6	8%	0.082	31%	0.312	C	S	.	.	H	α-helix	trans	-62.6	-46.3	176.3	179.4	-86.8	0	0	0	112.3	H22 C23 K28 E29 V30 L99 L100 Y104	H22-Y26 PolarHBondContact O-N 3.41Å; C23-Y26 PolarHBondContact O-N 2.82Å; Y26-K28 VanDerWaalsContact C-N 3.26Å; Y26-K28 PolarHBondContact O-N 3.22Å; Y26-E29 WeakPolarHBondContact O-CB 3.39Å; Y26-E29 PolarHBondContact O-N 2.87Å; Y26-E29 VanDerWaalsContact O-N 3.15Å; Y26-V30 HydrophobicContact CD1-CG2 3.89Å; Y26-V30 HydrophobicContact CE1-CB 4.39Å; Y26-V30 HydrophobicContact CE1-CG2 3.24Å; Y26-V30 HydrophobicContact CE2-CG2 4.16Å; Y26-V30 VanDerWaalsContact CZ-CG2 3.43Å; Y26-V30 WeakPolarHBondContact O-CG2 3.46Å; Y26-V30 PolarHBondContact O-N 3Å; Y26-L99 WeakPolarHBondContact OH-CG 3.28Å; Y26-L100 HydrophobicContact CD1-CD1 4.04Å; Y26-L100 HydrophobicContact CD1-CD2 3.24Å; Y26-L100 HydrophobicContact CD1-CG 3.7Å; Y26-L100 HydrophobicContact CD2-CD2 3.74Å; Y26-L100 HydrophobicContact CE1-CB 4.42Å; Y26-L100 HydrophobicContact CE1-CD1 3.76Å; Y26-L100 HydrophobicContact CE1-CD2 3.13Å; Y26-L100 HydrophobicContact CE1-CG 3.13Å; Y26-L100 HydrophobicContact CE2-CD2 3.63Å; Y26-L100 HydrophobicContact CE2-CG 4.26Å; Y26-L100 HydrophobicContact CG-CD2 3.53Å; Y26-L100 HydrophobicContact CG-CG 4.44Å; Y26-L100 VanDerWaalsContact CZ-CG 3.44Å; Y26-L100 PolarHBondContact OH-N 3.4Å; Y26-Y104 AromaticContact CD2-CE2 3.95Å; Y26-Y104 HydrophobicContact CD2-CE2 3.95Å; Y26-Y104 HydrophobicContact CE2-CE2 4.28Å
27	L	86.3	Confident	82.6	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-61	-38.5	178.1	-73.3	173.2	0	0	0	111.2	C23 K24 V30 L31 I45 L48 V59 L96 F112 F114	C23-L27 WeakPolarHBondContact O-CB 3.39Å; C23-L27 VanDerWaalsContact O-CG 3.31Å; C23-L27 WeakPolarHBondContact O-CG 3.42Å; C23-L27 PolarHBondContact O-N 3.37Å; K24-L27 PolarHBondContact O-N 2.88Å; L27-V30 PolarHBondContact O-N 3.41Å; L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 VanDerWaalsContact O-CG 3.27Å; L27-L31 WeakPolarHBondContact O-CG 3.24Å; L27-L31 PolarHBondContact O-N 2.96Å; L27-I45 HydrophobicContact CB-CD1 3.42Å; L27-I45 VanDerWaalsContact CB-CD1 3.42Å; L27-I45 HydrophobicContact CD1-CD1 4.35Å; L27-L48 HydrophobicContact CD1-CD2 4.12Å; L27-V59 HydrophobicContact CD1-CG1 4.08Å; L27-V59 HydrophobicContact CD1-CG2 3.77Å; L27-L96 HydrophobicContact CD2-CD1 3.91Å; L27-L96 HydrophobicContact CD2-CD2 3.91Å; L27-L96 HydrophobicContact CD2-CG 4.49Å; L27-F112 HydrophobicContact CD1-CD1 3.94Å; L27-F112 HydrophobicContact CD1-CE1 3.89Å; L27-F112 HydrophobicContact CD2-CD1 4.34Å; L27-F112 HydrophobicContact CD2-CE1 4.36Å; L27-F112 HydrophobicContact CG-CE1 4.33Å; L27-F114 HydrophobicContact CD2-CZ 4.24Å
28	K	87.7	Confident	82.2	Confident	89 Å²	89	59.8 Å²	59.8	39%	0.387	33%	0.33	S	S	.	.	H	α-helix	trans	-61.7	-44.1	173.6	-75.1	-172.5	171.9	-157	0	112.3	K24 N25 Y26 L31 S32 I45	K24-K28 WeakPolarHBondContact O-CG 3.29Å; K24-K28 PolarHBondContact O-N 3.5Å; N25-K28 WeakPolarHBondContact O-CB 3.37Å; N25-K28 PolarHBondContact O-N 2.85Å; Y26-K28 VanDerWaalsContact C-N 3.26Å; Y26-K28 PolarHBondContact O-N 3.22Å; K28-L31 PolarHBondContact O-N 3.4Å; K28-S32 WeakPolarHBondContact O-CB 3.3Å; K28-S32 PolarHBondContact O-N 2.98Å; K28-S32 PolarHBondContact O-OG 2.69Å; K28-I45 HydrophobicContact CG-CD1 4.05Å
29	E	87	Confident	81.7	Confident	124 Å²	124	56.2 Å²	56.2	58%	0.579	32%	0.321	S	S	*	.	H	α-helix	trans	-59.5	-47.6	175.9	-172.7	-178.1	168.3	0	0	111	N25 Y26 L31 S32 S33	N25-E29 PolarHBondContact O-N 2.89Å; Y26-E29 WeakPolarHBondContact O-CB 3.39Å; Y26-E29 PolarHBondContact O-N 2.87Å; Y26-E29 VanDerWaalsContact O-N 3.15Å; E29-L31 PolarHBondContact O-N 3.49Å; E29-S32 WeakPolarHBondContact CA-OG 3.49Å; E29-S32 PolarHBondContact O-N 3.46Å; E29-S32 PolarHBondContact O-OG 2.92Å; E29-S33 WeakPolarHBondContact O-CB 3.32Å; E29-S33 PolarHBondContact O-N 3.27Å
30	V	84.3	Confident	81.3	Confident	6 Å²	6	54.3 Å²	54.3	4%	0.036	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-40.9	179	174.7	0	0	0	0	112.3	Y26 L27 S33 L36 L96 L99	Y26-V30 HydrophobicContact CD1-CG2 3.89Å; Y26-V30 HydrophobicContact CE1-CB 4.39Å; Y26-V30 HydrophobicContact CE1-CG2 3.24Å; Y26-V30 HydrophobicContact CE2-CG2 4.16Å; Y26-V30 VanDerWaalsContact CZ-CG2 3.43Å; Y26-V30 WeakPolarHBondContact O-CG2 3.46Å; Y26-V30 PolarHBondContact O-N 3Å; L27-V30 PolarHBondContact O-N 3.41Å; V30-S33 PolarHBondContact O-N 2.87Å; V30-S33 PolarHBondContact O-OG 3.48Å; V30-L36 HydrophobicContact CG1-CD1 3.93Å; V30-L36 HydrophobicContact CG1-CG 4.13Å; V30-L96 HydrophobicContact CG1-CD1 3.96Å; V30-L99 HydrophobicContact CG1-CD2 4.36Å; V30-L99 HydrophobicContact CG2-CD2 4.04Å
31	L	83.7	Confident	81	Confident	10 Å²	10	55 Å²	55	5%	0.052	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-44.1	174.8	-69.3	172.9	0	0	0	111.2	L27 K28 E29 S33 G34 L36 A40 A41 I45 M89	L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 VanDerWaalsContact O-CG 3.27Å; L27-L31 WeakPolarHBondContact O-CG 3.24Å; L27-L31 PolarHBondContact O-N 2.96Å; K28-L31 PolarHBondContact O-N 3.4Å; E29-L31 PolarHBondContact O-N 3.49Å; L31-S33 VanDerWaalsContact C-N 3.28Å; L31-S33 PolarHBondContact O-N 3.29Å; L31-G34 PolarHBondContact O-N 2.87Å; L31-L36 HydrophobicContact CD2-CD1 3.95Å; L31-A40 HydrophobicContact CD2-CB 4.08Å; L31-A41 WeakPolarHBondContact O-CA 2.99Å; L31-A41 WeakPolarHBondContact O-CB 3.41Å; L31-I45 HydrophobicContact CD1-CD1 3.71Å; L31-I45 HydrophobicContact CD1-CG1 3.73Å; L31-M89 HydrophobicContact CD2-CE 3.68Å
32	S	84.2	Confident	80.6	Confident	92 Å²	92	52.6 Å²	52.6	64%	0.643	32%	0.316	S	S	*	.	H	α-helix	trans	-66.4	-28.8	178.6	69.9	0	0	0	0	113.5	K28 E29 G34	K28-S32 WeakPolarHBondContact O-CB 3.3Å; K28-S32 PolarHBondContact O-N 2.98Å; K28-S32 PolarHBondContact O-OG 2.69Å; E29-S32 WeakPolarHBondContact CA-OG 3.49Å; E29-S32 PolarHBondContact O-N 3.46Å; E29-S32 PolarHBondContact O-OG 2.92Å; S32-G34 PolarHBondContact O-N 3.34Å
33	S	83.2	Confident	80.4	Confident	68 Å²	68	50.1 Å²	50.1	48%	0.476	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-15.2	177.7	74	0	0	0	0	113.8	E29 V30 L31 V35	E29-S33 WeakPolarHBondContact O-CB 3.32Å; E29-S33 PolarHBondContact O-N 3.27Å; V30-S33 PolarHBondContact O-N 2.87Å; V30-S33 PolarHBondContact O-OG 3.48Å; L31-S33 VanDerWaalsContact C-N 3.28Å; L31-S33 PolarHBondContact O-N 3.29Å; S33-V35 PolarHBondContact O-N 2.89Å; S33-V35 VanDerWaalsContact OG-CG2 3.22Å; S33-V35 WeakPolarHBondContact OG-CG2 3.46Å; S33-V35 PolarHBondContact OG-N 3.42Å
34	G	75.1	Confident	80.4	Confident	33 Å²	33	53.8 Å²	53.8	34%	0.34	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	6.8	-178.3	0	0	0	0	0	114.9	L31 S32 L36 G37	L31-G34 PolarHBondContact O-N 2.87Å; S32-G34 PolarHBondContact O-N 3.34Å; G34-L36 PolarHBondContact O-N 3.49Å; G34-G37 PolarHBondContact O-N 2.93Å
35	V	75.1	Confident	80.3	Confident	96 Å²	96	51 Å²	51	58%	0.582	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.5	179.4	172	0	0	0	0	112.2	S33 G37 L99	S33-V35 PolarHBondContact O-N 2.89Å; S33-V35 VanDerWaalsContact OG-CG2 3.22Å; S33-V35 WeakPolarHBondContact OG-CG2 3.46Å; S33-V35 PolarHBondContact OG-N 3.42Å; V35-G37 VanDerWaalsContact C-N 3.3Å; V35-L99 HydrophobicContact CG1-CD2 4.48Å
36	L	70	Confident	80.1	Confident	13 Å²	13	49.2 Å²	49.2	7%	0.068	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	15.7	176.5	-61.8	170.7	0	0	0	112.9	V30 L31 G34 A40 Y88 M89 L96	V30-L36 HydrophobicContact CG1-CD1 3.93Å; V30-L36 HydrophobicContact CG1-CG 4.13Å; L31-L36 HydrophobicContact CD2-CD1 3.95Å; G34-L36 PolarHBondContact O-N 3.49Å; L36-A40 HydrophobicContact CB-CB 4Å; L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-Y88 WeakPolarHBondContact O-CE1 3.44Å; L36-M89 HydrophobicContact CD1-CE 3.83Å; L36-L96 HydrophobicContact CD1-CD1 3.71Å; L36-L96 HydrophobicContact CD2-CD1 4.49Å
37	G	73.6	Confident	80.2	Confident	27 Å²	27	52.1 Å²	52.1	28%	0.278	32%	0.316	S	S	.	.			trans	92.6	158	-179.4	0	0	0	0	0	114.4	G34 V35 E39 A40 A41	G34-G37 PolarHBondContact O-N 2.93Å; V35-G37 VanDerWaalsContact C-N 3.3Å; G37-E39 VanDerWaalsContact C-N 3.33Å; G37-E39 PolarHBondContact O-N 3.33Å; G37-A40 PolarHBondContact O-N 3.3Å; G37-A41 PolarHBondContact O-N 2.76Å
38	A	73.1	Confident	80.2	Confident	86 Å²	86	53.2 Å²	53.2	71%	0.711	32%	0.322	S	S	*	.	H	α-helix	trans	-63.7	-36	-177	0	0	0	0	0	113	A40 A41	A38-A40 VanDerWaalsContact C-N 3.31Å; A38-A40 PolarHBondContact O-N 3.11Å; A38-A41 WeakPolarHBondContact O-CB 3.44Å; A38-A41 PolarHBondContact O-N 3.1Å
39	E	70.7	Confident	80.1	Confident	107 Å²	107	52.1 Å²	52.1	50%	0.5	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-38.9	178	-59.4	-62.7	160.5	0	0	111.5	G37 A41 S42 I85	G37-E39 VanDerWaalsContact C-N 3.33Å; G37-E39 PolarHBondContact O-N 3.33Å; E39-A41 VanDerWaalsContact C-N 3.35Å; E39-S42 PolarHBondContact O-N 2.98Å; E39-S42 PolarHBondContact O-OG 3.24Å; E39-I85 HydrophobicContact CB-CD1 3.94Å; E39-I85 HydrophobicContact CB-CG1 4.11Å
40	A	73.2	Confident	80	Confident	2 Å²	2	48.4 Å²	48.4	2%	0.017	31%	0.307	C	S	.	.	H	α-helix	trans	-72.9	-26.7	178.2	0	0	0	0	0	112.7	L31 L36 G37 A38 S42 L43 M89	L31-A40 HydrophobicContact CD2-CB 4.08Å; L36-A40 HydrophobicContact CB-CB 4Å; L36-A40 WeakPolarHBondContact O-CB 3.44Å; G37-A40 PolarHBondContact O-N 3.3Å; A38-A40 VanDerWaalsContact C-N 3.31Å; A38-A40 PolarHBondContact O-N 3.11Å; A40-S42 PolarHBondContact O-N 2.94Å; A40-L43 HydrophobicContact CB-CD1 4.23Å; A40-L43 VanDerWaalsContact O-CB 3.29Å; A40-L43 WeakPolarHBondContact O-CB 3.42Å; A40-L43 WeakPolarHBondContact O-CG 3.47Å; A40-L43 PolarHBondContact O-N 2.79Å; A40-L43 VanDerWaalsContact O-N 3.09Å; A40-M89 HydrophobicContact CB-SD 4.46Å
41	A	77.5	Confident	79.8	Confident	46 Å²	46	49.6 Å²	49.6	38%	0.38	32%	0.32	S	S	.	.	H	α-helix	trans	-65	-22.5	178.4	0	0	0	0	0	113.1	L31 G37 A38 E39 L43	L31-A41 WeakPolarHBondContact O-CA 2.99Å; L31-A41 WeakPolarHBondContact O-CB 3.41Å; G37-A41 PolarHBondContact O-N 2.76Å; A38-A41 WeakPolarHBondContact O-CB 3.44Å; A38-A41 PolarHBondContact O-N 3.1Å; E39-A41 VanDerWaalsContact C-N 3.35Å; A41-L43 VanDerWaalsContact C-N 3.3Å
42	S	78	Confident	79.5	Confident	51 Å²	51	55.5 Å²	55.5	36%	0.357	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.4	175.5	73.8	0	0	0	0	114.1	E39 A40 P64	E39-S42 PolarHBondContact O-N 2.98Å; E39-S42 PolarHBondContact O-OG 3.24Å; A40-S42 PolarHBondContact O-N 2.94Å; S42-P64 WeakPolarHBondContact O-CD 3.25Å; S42-P64 VanDerWaalsContact O-CG 3.25Å; S42-P64 WeakPolarHBondContact O-CG 3.42Å
43	L	80.9	Confident	79.1	Confident	11 Å²	11	59 Å²	59	6%	0.058	36%	0.355	C	S	.	.			trans	-75.7	134.8	-175.9	-64.2	173.1	0	0	0	111.5	A40 A41 C61 K62 L63 I85 M89 I116	A40-L43 HydrophobicContact CB-CD1 4.23Å; A40-L43 VanDerWaalsContact O-CB 3.29Å; A40-L43 WeakPolarHBondContact O-CB 3.42Å; A40-L43 WeakPolarHBondContact O-CG 3.47Å; A40-L43 PolarHBondContact O-N 2.79Å; A40-L43 VanDerWaalsContact O-N 3.09Å; A41-L43 VanDerWaalsContact C-N 3.3Å; L43-C61 HydrophobicContact CB-CB 4.44Å; L43-K62 WeakPolarHBondContact CA-O 3.25Å; L43-L63 HydrophobicContact CD2-CB 3.81Å; L43-L63 HydrophobicContact CD2-CD1 3.59Å; L43-L63 HydrophobicContact CD2-CG 4.29Å; L43-I85 HydrophobicContact CD1-CG2 3.85Å; L43-M89 HydrophobicContact CD1-CE 4.47Å; L43-M89 HydrophobicContact CD1-SD 3.4Å; L43-M89 WeakPolarHBondContact CD1-SD 3.46Å; L43-I116 HydrophobicContact CD1-CD1 4.06Å; L43-I116 HydrophobicContact CD2-CD1 4.22Å; L43-I116 HydrophobicContact CD2-CG2 4.22Å
44	D	85.3	Confident	78.7	Confident	87 Å²	87	58.3 Å²	58.3	47%	0.465	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.8	168.4	-170.6	22.3	0	0	0	111	C61 K62	D44-C61 CarbonylContact O-C 3.58Å; D44-C61 VanDerWaalsContact O-CA 3.24Å; D44-C61 WeakPolarHBondContact O-CA 3.45Å; D44-K62 PolarHBondContact N-O 3.01Å; D44-K62 PolarHBondContact O-N 2.99Å
45	I	85.3	Confident	79	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.015	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	111.6	179.5	-55.5	177.5	0	0	0	109	K24 L27 K28 L31 L48 V59	K24-I45 WeakPolarHBondContact CE-O 3.13Å; K24-I45 PolarHBondContact NZ-O 2.86Å; L27-I45 HydrophobicContact CB-CD1 3.42Å; L27-I45 VanDerWaalsContact CB-CD1 3.42Å; L27-I45 HydrophobicContact CD1-CD1 4.35Å; K28-I45 HydrophobicContact CG-CD1 4.05Å; L31-I45 HydrophobicContact CD1-CD1 3.71Å; L31-I45 HydrophobicContact CD1-CG1 3.73Å; I45-L48 HydrophobicContact CG2-CD1 3.6Å; I45-V59 HydrophobicContact CG2-CG1 3.89Å
46	I	84	Confident	79.5	Confident	60 Å²	60	60.1 Å²	60.1	31%	0.308	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-66.4	177.5	-45.9	163.1	0	0	0	109	K24 N60 K62	K24-I46 PolarHBondContact NZ-O 3.18Å; I46-N60 HydrophobicContact CD1-CB 4.26Å; I46-N60 PolarHBondContact N-O 3.25Å; I46-K62 HydrophobicContact CD1-CD 3.79Å; I46-K62 HydrophobicContact CD1-CG 3.39Å; I46-K62 HydrophobicContact CG1-CB 4.36Å; I46-K62 HydrophobicContact CG1-CD 3.51Å; I46-K62 HydrophobicContact CG1-CG 3.39Å
47	E	85.3	Confident	80.3	Confident	82 Å²	82	59.5 Å²	59.5	38%	0.383	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	153.3	-165.9	63.2	179.2	-177.9	0	0	110.7	N60	E47-N60 HydrophobicContact CG-CB 3.71Å; E47-N60 PolarHBondContact O-N 2.91Å; E47-N60 PolarHBondContact OE1-ND2 3.34Å
48	L	87.2	Confident	81.1	Confident	24 Å²	24	60.4 Å²	60.4	13%	0.126	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.1	173.9	-75.1	75.3	0	0	0	106.9	L20 C23 K24 L27 I45 P50 I57 D58	L20-L48 HydrophobicContact CD2-CB 4.37Å; C23-L48 HydrophobicContact CB-CD2 3.91Å; K24-L48 HydrophobicContact CB-CD1 3.72Å; K24-L48 HydrophobicContact CB-CD2 4.24Å; K24-L48 HydrophobicContact CD-CD1 3.96Å; K24-L48 HydrophobicContact CG-CD1 3.77Å; L27-L48 HydrophobicContact CD1-CD2 4.12Å; I45-L48 HydrophobicContact CG2-CD1 3.6Å; L48-P50 WeakPolarHBondContact O-CD 3.38Å; L48-I57 HydrophobicContact CB-CG2 3.89Å; L48-I57 HydrophobicContact CD2-CG2 4.09Å; L48-I57 HydrophobicContact CG-CG2 4.18Å; L48-D58 WeakPolarHBondContact CA-O 3.37Å
49	I	86.5	Confident	81.8	Confident	67 Å²	67	56.3 Å²	56.3	34%	0.344	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	110.1	177.2	-57.7	173.9	0	0	0	107.4	G51 D58 N60	I49-G51 PolarHBondContact O-N 2.74Å; I49-D58 HydrophobicContact CB-CB 4.26Å; I49-D58 PolarHBondContact N-O 3.2Å; I49-D58 PolarHBondContact O-N 3.49Å; I49-N60 WeakPolarHBondContact CD1-ND2 3.42Å
50	P	83.7	Confident	82.7	Confident	46 Å²	46	52 Å²	52	30%	0.299	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	132	174.2	30.2	-35	0	0	0	110.6	L20 L48 Y54	L20-P50 HydrophobicContact CD1-CG 4Å; L20-P50 HydrophobicContact CD2-CB 4.25Å; L48-P50 WeakPolarHBondContact O-CD 3.38Å; P50-Y54 HydrophobicContact CB-CD1 3.52Å; P50-Y54 HydrophobicContact CB-CE1 3.29Å; P50-Y54 HydrophobicContact CB-CG 4.33Å; P50-Y54 HydrophobicContact CG-CE1 3.84Å
51	G	80.3	Confident	83.3	Confident	31 Å²	31	51.9 Å²	51.9	32%	0.32	28%	0.282	S	S	.	.			trans	-78.1	-176.2	164.7	0	0	0	0	0	112.2	I49 K53 Y54 K56	I49-G51 PolarHBondContact O-N 2.74Å; G51-K53 PolarHBondContact O-N 3Å; G51-Y54 PolarHBondContact O-N 2.87Å; G51-Y54 VanDerWaalsContact O-N 3.08Å; G51-K56 WeakPolarHBondContact CA-O 3.41Å; G51-K56 PolarHBondContact N-O 2.99Å
52	D	78.2	Confident	83.6	Confident	133 Å²	133	52.9 Å²	52.9	71%	0.711	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-53.7	123.6	179.6	-173.6	28.7	0	0	0	111.5	Y54 A55	D52-Y54 PolarHBondContact O-N 3.11Å; D52-Y54 VanDerWaalsContact O-N 3.16Å; D52-A55 PolarHBondContact O-N 3.34Å
53	K	74.1	Confident	83.7	Confident	165 Å²	165	50.8 Å²	50.8	72%	0.717	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	54.4	27.5	-179.2	-57.3	170.2	-169.4	179.4	0	115.2	G51 A55	G51-K53 PolarHBondContact O-N 3Å; K53-A55 PolarHBondContact O-N 3.43Å
54	Y	74.8	Confident	83.3	Confident	54 Å²	54	52 Å²	52	21%	0.212	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	55.7	22.1	179.9	-56.4	-96.3	0	0	0	112.9	H16 Y19 L20 P50 G51 D52 K56 P110	H16-Y54 HydrophobicContact CB-CE1 4.28Å; H16-Y54 HydrophobicContact CB-CE2 4.14Å; H16-Y54 VanDerWaalsContact CB-OH 3.24Å; H16-Y54 WeakPolarHBondContact CB-OH 3.49Å; H16-Y54 AromaticContact CD2-CD2 3.48Å; H16-Y54 VanDerWaalsContact CD2-CD2 3.48Å; H16-Y54 WeakPolarHBondContact CD2-CD2 3.42Å; H16-Y54 AromaticContact CD2-CE2 2.96Å; H16-Y54 WeakPolarHBondContact CD2-CE2 3.35Å; H16-Y54 AromaticContact CD2-CZ 3.38Å; H16-Y54 AromaticContact CG-CE2 3.63Å; H16-Y54 AromaticContact CG-CZ 3.67Å; H16-Y54 AromaticContact NE2-CD2 3.84Å; H16-Y54 AromaticContact NE2-CE2 3.48Å; H16-Y54 WeakPolarHBondContact NE2-CE2 3.34Å; Y19-Y54 HydrophobicContact CD1-CD1 4.02Å; Y19-Y54 HydrophobicContact CE1-CD1 4.13Å; Y19-Y54 HydrophobicContact CE1-CG 4.5Å; L20-Y54 HydrophobicContact CD1-CE1 4.17Å; L20-Y54 HydrophobicContact CD2-CD1 4.18Å; L20-Y54 HydrophobicContact CD2-CE1 3.98Å; L20-Y54 HydrophobicContact CG-CE1 3.99Å; P50-Y54 HydrophobicContact CB-CD1 3.52Å; P50-Y54 HydrophobicContact CB-CE1 3.29Å; P50-Y54 HydrophobicContact CB-CG 4.33Å; P50-Y54 HydrophobicContact CG-CE1 3.84Å; G51-Y54 PolarHBondContact O-N 2.87Å; G51-Y54 VanDerWaalsContact O-N 3.08Å; D52-Y54 PolarHBondContact O-N 3.11Å; D52-Y54 VanDerWaalsContact O-N 3.16Å; Y54-K56 PolarHBondContact O-N 2.84Å; Y54-P110 VanDerWaalsContact O-CB 3.27Å; Y54-P110 WeakPolarHBondContact O-CB 3.27Å
55	A	81.5	Confident	82.3	Confident	44 Å²	44	48.8 Å²	48.8	36%	0.364	26%	0.255	S	S	.	.	S	Bend	trans	-70.8	-28.6	174.3	0	0	0	0	0	110.9	D52 K53 V111	D52-A55 PolarHBondContact O-N 3.34Å; K53-A55 PolarHBondContact O-N 3.43Å; A55-V111 PolarHBondContact O-N 3.36Å
56	K	85.6	Confident	80.9	Confident	123 Å²	123	56.3 Å²	56.3	54%	0.535	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.4	176.4	-60.4	-175.1	178.3	-175.4	0	108.8	G51 Y54 V111	G51-K56 WeakPolarHBondContact CA-O 3.41Å; G51-K56 PolarHBondContact N-O 2.99Å; Y54-K56 PolarHBondContact O-N 2.84Å; K56-V111 CarbonylContact C-O 3.58Å; K56-V111 VanDerWaalsContact CA-O 3.3Å; K56-V111 WeakPolarHBondContact CA-O 3.39Å; K56-V111 HydrophobicContact CG-CB 4.38Å
57	I	88	Confident	79.4	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.4	172.1	-62.6	-179.3	0	0	0	107.1	Y19 L20 L48 V59 P110 V111 F112 Q113	Y19-I57 HydrophobicContact CE1-CD1 4.18Å; L20-I57 HydrophobicContact CD2-CD1 3.99Å; L48-I57 HydrophobicContact CB-CG2 3.89Å; L48-I57 HydrophobicContact CD2-CG2 4.09Å; L48-I57 HydrophobicContact CG-CG2 4.18Å; I57-V59 HydrophobicContact CG2-CG2 4.29Å; I57-P110 HydrophobicContact CD1-CB 3.83Å; I57-P110 HydrophobicContact CD1-CG 3.44Å; I57-P110 VanDerWaalsContact CD1-CG 3.44Å; I57-P110 HydrophobicContact CG1-CB 3.78Å; I57-P110 HydrophobicContact CG1-CG 3.95Å; I57-V111 PolarHBondContact N-O 3.23Å; I57-F112 HydrophobicContact CB-CD1 4.18Å; I57-F112 HydrophobicContact CB-CE1 4.4Å; I57-F112 HydrophobicContact CD1-CE1 4.27Å; I57-F112 HydrophobicContact CG2-CD1 4.47Å; I57-F112 WeakPolarHBondContact O-CA 3.31Å; I57-Q113 PolarHBondContact O-N 2.68Å
58	D	89.7	Confident	77.4	Confident	46 Å²	46	61.1 Å²	61.1	25%	0.246	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.2	173.4	-63.9	-20.2	0	0	0	107.6	L48 I49 Q113 F115	L48-D58 WeakPolarHBondContact CA-O 3.37Å; I49-D58 HydrophobicContact CB-CB 4.26Å; I49-D58 PolarHBondContact N-O 3.2Å; I49-D58 PolarHBondContact O-N 3.49Å; D58-Q113 CarbonylContact C-O 3.6Å; D58-Q113 WeakPolarHBondContact CA-O 3.4Å; D58-F115 HydrophobicContact CB-CD2 4.12Å; D58-F115 HydrophobicContact CB-CE2 3.78Å
59	V	88.5	Confident	75.6	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	112.5	-177.5	-173.5	0	0	0	0	107.7	L27 I45 I57 F112 Q113 F114 F115	L27-V59 HydrophobicContact CD1-CG1 4.08Å; L27-V59 HydrophobicContact CD1-CG2 3.77Å; I45-V59 HydrophobicContact CG2-CG1 3.89Å; I57-V59 HydrophobicContact CG2-CG2 4.29Å; V59-F112 HydrophobicContact CG2-CB 4.24Å; V59-F112 HydrophobicContact CG2-CD1 3.75Å; V59-F112 HydrophobicContact CG2-CG 4.45Å; V59-Q113 PolarHBondContact N-O 3.49Å; V59-F114 HydrophobicContact CB-CD1 3.76Å; V59-F114 HydrophobicContact CB-CE1 3.94Å; V59-F114 HydrophobicContact CG1-CD1 3.93Å; V59-F114 HydrophobicContact CG1-CE1 3.91Å; V59-F114 HydrophobicContact CG2-CD1 4.38Å; V59-F114 HydrophobicContact CG2-CE1 4.15Å; V59-F114 WeakPolarHBondContact O-CA 3.39Å; V59-F115 PolarHBondContact O-N 2.95Å
60	N	88.2	Confident	73.6	Confident	17 Å²	17	67.5 Å²	67.5	9%	0.091	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	112.9	177.6	-69.2	-17.7	0	0	0	109	I46 E47 I49	I46-N60 HydrophobicContact CD1-CB 4.26Å; I46-N60 PolarHBondContact N-O 3.25Å; E47-N60 HydrophobicContact CG-CB 3.71Å; E47-N60 PolarHBondContact O-N 2.91Å; E47-N60 PolarHBondContact OE1-ND2 3.34Å; I49-N60 WeakPolarHBondContact CD1-ND2 3.42Å
61	C	86.2	Confident	71.7	Confident	0 Å²	0	74 Å²	74	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.9	179.3	-61.4	0	0	0	0	110.9	L43 D44 F115 I116 T117	L43-C61 HydrophobicContact CB-CB 4.44Å; D44-C61 CarbonylContact O-C 3.58Å; D44-C61 VanDerWaalsContact O-CA 3.24Å; D44-C61 WeakPolarHBondContact O-CA 3.45Å; C61-F115 PolarHBondContact N-O 3.46Å; C61-I116 HydrophobicContact CB-CG1 4.35Å; C61-I116 WeakPolarHBondContact O-CA 3.1Å; C61-T117 PolarHBondContact O-N 2.94Å; C61-T117 PolarHBondContact O-OG1 2.85Å; C61-T117 VanDerWaalsContact O-OG1 3.11Å
62	K	85.3	Confident	69.9	Low	66 Å²	66	79.2 Å²	79.2	29%	0.287	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.2	168.6	-74.2	173.3	176.9	-169	0	109.2	L43 D44 I46 T117	L43-K62 WeakPolarHBondContact CA-O 3.25Å; D44-K62 PolarHBondContact N-O 3.01Å; D44-K62 PolarHBondContact O-N 2.99Å; I46-K62 HydrophobicContact CD1-CD 3.79Å; I46-K62 HydrophobicContact CD1-CG 3.39Å; I46-K62 HydrophobicContact CG1-CB 4.36Å; I46-K62 HydrophobicContact CG1-CD 3.51Å; I46-K62 HydrophobicContact CG1-CG 3.39Å; K62-T117 WeakPolarHBondContact CA-O 3.34Å
63	L	78.8	Confident	68.3	Low	7 Å²	7	77.7 Å²	77.7	4%	0.037	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	115.3	166	-176.1	67.1	0	0	0	108.5	L43 V65 L81 I85 I116 T117	L43-L63 HydrophobicContact CD2-CB 3.81Å; L43-L63 HydrophobicContact CD2-CD1 3.59Å; L43-L63 HydrophobicContact CD2-CG 4.29Å; L63-V65 PolarHBondContact O-N 2.78Å; L63-L81 HydrophobicContact CD2-CD2 4.11Å; L63-L81 HydrophobicContact CD2-CG 4.15Å; L63-I85 HydrophobicContact CD1-CD1 3.96Å; L63-I85 HydrophobicContact CD2-CD1 4.07Å; L63-I116 HydrophobicContact CB-CG2 3.9Å; L63-T117 PolarHBondContact N-O 3.23Å; L63-T117 VanDerWaalsContact N-O 3.08Å
64	P	72.7	Confident	67.1	Low	36 Å²	36	75 Å²	75	23%	0.234	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	111.7	172.8	26.7	-31.7	0	0	0	109.4	S42 Y66	S42-P64 WeakPolarHBondContact O-CD 3.25Å; S42-P64 VanDerWaalsContact O-CG 3.25Å; S42-P64 WeakPolarHBondContact O-CG 3.42Å; P64-Y66 HydrophobicContact CB-CE2 3.94Å; P64-Y66 HydrophobicContact CG-CE2 4Å; P64-Y66 PolarHBondContact O-N 2.83Å
65	V	64.3	Low	66.1	Low	21 Å²	21	82.7 Å²	82.7	13%	0.127	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	100	175.5	-178.2	0	0	0	0	108.7	L63 H67 P78 E118	L63-V65 PolarHBondContact O-N 2.78Å; V65-H67 PolarHBondContact O-N 3.37Å; V65-P78 HydrophobicContact CG1-CB 3.84Å; V65-P78 HydrophobicContact CG1-CG 4.38Å; V65-P78 HydrophobicContact CG2-CB 3.77Å; V65-E118 HydrophobicContact CG2-CB 4.44Å; V65-E118 HydrophobicContact CG2-CG 4.21Å
66	Y	56.8	Low	64.8	Low	160 Å²	160	85.8 Å²	85.8	63%	0.627	45%	0.448	S	S	*	.			trans	-76	111.7	172.1	-63.5	-81.1	0	0	0	109.9	P64 S68 V123	P64-Y66 HydrophobicContact CB-CE2 3.94Å; P64-Y66 HydrophobicContact CG-CE2 4Å; P64-Y66 PolarHBondContact O-N 2.83Å; Y66-S68 PolarHBondContact O-N 2.92Å; Y66-V123 HydrophobicContact CD1-CG2 4.11Å; Y66-V123 HydrophobicContact CE1-CG2 4.25Å
67	H	52.1	Low	63.8	Low	159 Å²	159	84.1 Å²	84.1	74%	0.736	45%	0.448	S	S	*	.			trans	-73.7	80.1	159.7	-83.8	64.3	0	0	0	108	V65 S69	V65-H67 PolarHBondContact O-N 3.37Å; H67-S69 PolarHBondContact O-N 3.01Å
68	S	44	Very low	62.8	Low	84 Å²	84	86.6 Å²	86.6	59%	0.587	46%	0.464	S	S	*	.			trans	-65.9	107.4	159.5	179.9	0	0	0	0	106.2	Y66 N70	Y66-S68 PolarHBondContact O-N 2.92Å; S68-N70 PolarHBondContact O-N 3.39Å; S68-N70 PolarHBondContact OG-N 2.98Å; S68-N70 PolarHBondContact OG-O 3.38Å
69	S	49.2	Very low	62	Low	108 Å²	108	87.1 Å²	87.1	76%	0.755	47%	0.469	S	S	*	.	S	Bend	trans	-61.7	-2.3	173	63	0	0	0	0	112.7	H67	H67-S69 PolarHBondContact O-N 3.01Å
70	N	44.5	Very low	61.4	Low	117 Å²	117	89.1 Å²	89.1	63%	0.626	49%	0.486	S	S	*	.	S	Bend	trans	-114.8	102.9	-172.5	-60.9	-27.6	0	0	0	109.7	S68	S68-N70 PolarHBondContact O-N 3.39Å; S68-N70 PolarHBondContact OG-N 2.98Å; S68-N70 PolarHBondContact OG-O 3.38Å
71	K	43.6	Very low	61	Low	182 Å²	182	90.4 Å²	90.4	79%	0.791	49%	0.492	S	S	*	.			trans	87.6	118.6	169.2	-55	177.4	-178.8	177.5	0	115.1	S73	K71-S73 PolarHBondContact O-N 2.85Å
72	P	42.1	Very low	60.7	Low	142 Å²	142	90.6 Å²	90.6	92%	0.922	49%	0.494	S	S	*	.			trans	-74.9	69.9	171.2	33.3	-33.6	0	0	0	109.2	V74	P72-V74 PolarHBondContact O-N 2.93Å
73	S	45.3	Very low	60.6	Low	100 Å²	100	93.3 Å²	93.3	70%	0.699	51%	0.506	S	S	*	.			trans	-87.7	107.9	175.9	-169.1	0	0	0	0	108.8	K71	K71-S73 PolarHBondContact O-N 2.85Å
74	V	49.1	Very low	60.8	Low	108 Å²	108	99.7 Å²	99.7	66%	0.655	53%	0.531	S	S	*	.			trans	70.6	110	171.9	-165.6	0	0	0	0	115.2	P72 Q76	P72-V74 PolarHBondContact O-N 2.93Å; V74-Q76 HydrophobicContact CG1-CG 4.32Å; V74-Q76 PolarHBondContact O-N 3.46Å
75	K	52.3	Low	61.4	Low	217 Å²	217	98.1 Å²	98.1	94%	0.943	52%	0.52	S	S	*	.			trans	-65.2	33.9	-176.2	-57.7	172.2	176.6	176.2	0	115.5	T77	K75-T77 PolarHBondContact O-N 2.85Å
76	Q	54.4	Low	62.5	Low	109 Å²	109	98.6 Å²	98.6	51%	0.509	52%	0.521	S	S	.	.			trans	-83.4	117.6	171.3	-70.9	-172.8	51.2	0	0	107.9	V74	V74-Q76 HydrophobicContact CG1-CG 4.32Å; V74-Q76 PolarHBondContact O-N 3.46Å
77	T	64.1	Low	64	Low	87 Å²	87	97 Å²	97	53%	0.534	52%	0.519	S	S	.	.			trans	-56.7	140.7	167.5	53.8	0	0	0	0	107.8	K75 T79 A80 L81	K75-T77 PolarHBondContact O-N 2.85Å; T77-T79 PolarHBondContact O-N 3.26Å; T77-A80 WeakPolarHBondContact O-CA 3.31Å; T77-A80 WeakPolarHBondContact O-CB 3.5Å; T77-A80 PolarHBondContact O-N 3.33Å; T77-A80 WeakPolarHBondContact OG1-CB 3.42Å; T77-A80 PolarHBondContact OG1-N 3.32Å; T77-L81 PolarHBondContact O-N 2.88Å; T77-L81 VanDerWaalsContact O-N 3.11Å
78	P	67.6	Low	65.6	Low	52 Å²	52	94.5 Å²	94.5	34%	0.338	50%	0.504	S	S	.	.	H	α-helix	trans	-52.7	-30.4	179.4	21.7	-33.5	0	0	0	111.4	V65 L81 G82 E118	V65-P78 HydrophobicContact CG1-CB 3.84Å; V65-P78 HydrophobicContact CG1-CG 4.38Å; V65-P78 HydrophobicContact CG2-CB 3.77Å; P78-L81 PolarHBondContact O-N 3.44Å; P78-G82 PolarHBondContact O-N 3.46Å; P78-E118 VanDerWaalsContact C-OE2 3.31Å; P78-E118 HydrophobicContact CB-CG 4.49Å; P78-E118 WeakPolarHBondContact CB-OE2 3.38Å
79	T	72.4	Confident	67.6	Low	58 Å²	58	90.5 Å²	90.5	36%	0.356	48%	0.476	S	S	.	.	H	α-helix	trans	-65.3	-44.1	172.4	-40.9	0	0	0	0	114.6	T77 L81 G82 F83 E118	T77-T79 PolarHBondContact O-N 3.26Å; T79-L81 VanDerWaalsContact C-N 3.28Å; T79-L81 PolarHBondContact O-N 2.9Å; T79-G82 PolarHBondContact O-N 3.14Å; T79-F83 HydrophobicContact CG2-CD2 3.88Å; T79-F83 HydrophobicContact CG2-CE2 3.61Å; T79-F83 WeakPolarHBondContact O-CD2 3.41Å; T79-F83 PolarHBondContact O-N 3Å; T79-E118 WeakPolarHBondContact CA-OE1 3.41Å; T79-E118 WeakPolarHBondContact CA-OE2 3.45Å; T79-E118 VanDerWaalsContact CB-OE1 3.31Å; T79-E118 WeakPolarHBondContact CB-OE1 3.39Å; T79-E118 WeakPolarHBondContact CG2-OE1 3.19Å; T79-E118 PolarHBondContact N-OE1 3.42Å; T79-E118 PolarHBondContact N-OE2 3.41Å; T79-E118 PolarHBondContact OG1-OE1 3.31Å; T79-E118 PolarHBondContact OG1-OE2 2.88Å
80	A	76.7	Confident	69.5	Low	42 Å²	42	87.3 Å²	87.3	35%	0.347	45%	0.45	S	S	.	.	H	α-helix	trans	-62	-39.7	173.7	0	0	0	0	0	111.3	T77 F83 Y84	T77-A80 WeakPolarHBondContact O-CA 3.31Å; T77-A80 WeakPolarHBondContact O-CB 3.5Å; T77-A80 PolarHBondContact O-N 3.33Å; T77-A80 WeakPolarHBondContact OG1-CB 3.42Å; T77-A80 PolarHBondContact OG1-N 3.32Å; A80-F83 PolarHBondContact O-N 3.11Å; A80-Y84 WeakPolarHBondContact O-CB 3.46Å; A80-Y84 PolarHBondContact O-N 3.08Å
81	L	78.6	Confident	71.5	Confident	44 Å²	44	85.8 Å²	85.8	23%	0.23	45%	0.449	C	S	.	.	H	α-helix	trans	-65.3	-46.5	176.8	-178.2	63	0	0	0	111.4	L63 T77 P78 T79 F83 Y84 I85	L63-L81 HydrophobicContact CD2-CD2 4.11Å; L63-L81 HydrophobicContact CD2-CG 4.15Å; T77-L81 PolarHBondContact O-N 2.88Å; T77-L81 VanDerWaalsContact O-N 3.11Å; P78-L81 PolarHBondContact O-N 3.44Å; T79-L81 VanDerWaalsContact C-N 3.28Å; T79-L81 PolarHBondContact O-N 2.9Å; L81-F83 VanDerWaalsContact C-N 3.33Å; L81-F83 PolarHBondContact O-N 2.94Å; L81-Y84 WeakPolarHBondContact O-CB 3.47Å; L81-Y84 PolarHBondContact O-N 3.38Å; L81-Y84 VanDerWaalsContact O-N 3.14Å; L81-I85 HydrophobicContact CD1-CD1 3.89Å; L81-I85 HydrophobicContact CD1-CG1 4.1Å; L81-I85 HydrophobicContact CD2-CD1 4.46Å; L81-I85 HydrophobicContact CG-CD1 3.78Å; L81-I85 HydrophobicContact CG-CG1 4.37Å; L81-I85 VanDerWaalsContact O-CG1 3.31Å; L81-I85 WeakPolarHBondContact O-CG1 3.43Å; L81-I85 PolarHBondContact O-N 2.9Å
82	G	80.7	Confident	73.4	Confident	3 Å²	3	77.6 Å²	77.6	3%	0.031	42%	0.416	C	S	.	.	H	α-helix	trans	-56.4	-45.8	175.4	0	0	0	0	0	112.3	P78 T79 Q86	P78-G82 PolarHBondContact O-N 3.46Å; T79-G82 PolarHBondContact O-N 3.14Å; G82-Q86 VanDerWaalsContact O-CB 3.25Å; G82-Q86 WeakPolarHBondContact O-CB 3.49Å; G82-Q86 PolarHBondContact O-N 3.39Å
83	F	83.2	Confident	75.4	Confident	123 Å²	123	72.1 Å²	72.1	54%	0.539	38%	0.382	S	S	.	.	H	α-helix	trans	-64.4	-41.1	174.9	-81.2	-62.6	0	0	0	112.9	T79 A80 L81 Q86 Q87	T79-F83 HydrophobicContact CG2-CD2 3.88Å; T79-F83 HydrophobicContact CG2-CE2 3.61Å; T79-F83 WeakPolarHBondContact O-CD2 3.41Å; T79-F83 PolarHBondContact O-N 3Å; A80-F83 PolarHBondContact O-N 3.11Å; L81-F83 VanDerWaalsContact C-N 3.33Å; L81-F83 PolarHBondContact O-N 2.94Å; F83-Q86 PolarHBondContact O-N 2.76Å; F83-Q87 WeakPolarHBondContact O-CG 3.24Å; F83-Q87 PolarHBondContact O-N 2.9Å
84	Y	84.3	Confident	77.3	Confident	142 Å²	142	70.9 Å²	70.9	56%	0.557	37%	0.373	S	S	*	.	H	α-helix	trans	-61.6	-50.8	178.1	175	-99.9	0	0	0	111.4	A80 L81 Q86 Q87 Y88	A80-Y84 WeakPolarHBondContact O-CB 3.46Å; A80-Y84 PolarHBondContact O-N 3.08Å; L81-Y84 WeakPolarHBondContact O-CB 3.47Å; L81-Y84 PolarHBondContact O-N 3.38Å; L81-Y84 VanDerWaalsContact O-N 3.14Å; Y84-Q86 VanDerWaalsContact C-N 3.28Å; Y84-Q86 PolarHBondContact O-N 3.22Å; Y84-Q87 PolarHBondContact O-N 3.38Å; Y84-Y88 WeakPolarHBondContact O-CB 3.42Å; Y84-Y88 PolarHBondContact O-N 2.93Å
85	I	84.2	Confident	79	Confident	3 Å²	3	72.5 Å²	72.5	2%	0.015	37%	0.373	C	S	.	.	H	α-helix	trans	-62.4	-39.9	178.4	-59.9	167.6	0	0	0	109.9	E39 L43 L63 L81 Q87 Y88 M89 I116	E39-I85 HydrophobicContact CB-CD1 3.94Å; E39-I85 HydrophobicContact CB-CG1 4.11Å; L43-I85 HydrophobicContact CD1-CG2 3.85Å; L63-I85 HydrophobicContact CD1-CD1 3.96Å; L63-I85 HydrophobicContact CD2-CD1 4.07Å; L81-I85 HydrophobicContact CD1-CD1 3.89Å; L81-I85 HydrophobicContact CD1-CG1 4.1Å; L81-I85 HydrophobicContact CD2-CD1 4.46Å; L81-I85 HydrophobicContact CG-CD1 3.78Å; L81-I85 HydrophobicContact CG-CG1 4.37Å; L81-I85 VanDerWaalsContact O-CG1 3.31Å; L81-I85 WeakPolarHBondContact O-CG1 3.43Å; L81-I85 PolarHBondContact O-N 2.9Å; I85-Q87 PolarHBondContact O-N 3.23Å; I85-Y88 PolarHBondContact O-N 2.83Å; I85-M89 HydrophobicContact CG2-CG 4.17Å; I85-M89 HydrophobicContact CG2-SD 4.26Å; I85-M89 WeakPolarHBondContact O-CB 3.29Å; I85-M89 WeakPolarHBondContact O-CG 3.34Å; I85-M89 PolarHBondContact O-N 2.9Å; I85-I116 HydrophobicContact CB-CD1 3.7Å; I85-I116 HydrophobicContact CG2-CD1 3.51Å
86	Q	88	Confident	80.4	Confident	30 Å²	30	62.4 Å²	62.4	14%	0.14	33%	0.329	C	S	.	.	H	α-helix	trans	-61.5	-44.7	177.1	-178.6	176.5	-41.8	0	0	111.9	G82 F83 Y84 N90 F114 I116	G82-Q86 VanDerWaalsContact O-CB 3.25Å; G82-Q86 WeakPolarHBondContact O-CB 3.49Å; G82-Q86 PolarHBondContact O-N 3.39Å; F83-Q86 PolarHBondContact O-N 2.76Å; Y84-Q86 VanDerWaalsContact C-N 3.28Å; Y84-Q86 PolarHBondContact O-N 3.22Å; Q86-N90 WeakPolarHBondContact CG-ND2 3.37Å; Q86-N90 WeakPolarHBondContact O-CB 3.48Å; Q86-N90 PolarHBondContact O-N 3.37Å; Q86-N90 PolarHBondContact O-ND2 2.77Å; Q86-F114 WeakPolarHBondContact CG-O 3.38Å; Q86-I116 HydrophobicContact CB-CB 4.32Å; Q86-I116 HydrophobicContact CB-CD1 3.89Å; Q86-I116 HydrophobicContact CB-CG1 3.94Å; Q86-I116 HydrophobicContact CG-CG1 4.48Å; Q86-I116 VanDerWaalsContact N-CD1 3.33Å
87	Q	86.8	Confident	81.9	Confident	126 Å²	126	62.7 Å²	62.7	59%	0.589	33%	0.326	S	S	*	.	H	α-helix	trans	-64.2	-43.7	176.1	-72	-60.6	-54.2	0	0	111.2	F83 Y84 I85 N90 S91	F83-Q87 WeakPolarHBondContact O-CG 3.24Å; F83-Q87 PolarHBondContact O-N 2.9Å; Y84-Q87 PolarHBondContact O-N 3.38Å; I85-Q87 PolarHBondContact O-N 3.23Å; Q87-N90 PolarHBondContact O-N 2.75Å; Q87-S91 WeakPolarHBondContact O-CB 3.4Å; Q87-S91 PolarHBondContact O-N 3.08Å; Q87-S91 PolarHBondContact O-OG 3.34Å
88	Y	85.9	Confident	82.8	Confident	107 Å²	107	61.9 Å²	61.9	42%	0.42	32%	0.324	S	S	.	.	H	α-helix	trans	-59.1	-51.9	178.4	-177.1	-96.7	0	0	0	111.4	L36 Y84 I85 N90 S91 G92	L36-Y88 WeakPolarHBondContact O-CE1 3.44Å; Y84-Y88 WeakPolarHBondContact O-CB 3.42Å; Y84-Y88 PolarHBondContact O-N 2.93Å; I85-Y88 PolarHBondContact O-N 2.83Å; Y88-N90 PolarHBondContact O-N 2.84Å; Y88-S91 PolarHBondContact O-N 3.21Å; Y88-S91 PolarHBondContact O-OG 2.9Å; Y88-G92 PolarHBondContact O-N 3.38Å
89	M	86.4	Confident	83.5	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-41.1	178.8	-70.9	-165.8	78.8	0	0	113.1	L31 L36 A40 L43 I85 S91 G92 S93 F114 I116	L31-M89 HydrophobicContact CD2-CE 3.68Å; L36-M89 HydrophobicContact CD1-CE 3.83Å; A40-M89 HydrophobicContact CB-SD 4.46Å; L43-M89 HydrophobicContact CD1-CE 4.47Å; L43-M89 HydrophobicContact CD1-SD 3.4Å; L43-M89 WeakPolarHBondContact CD1-SD 3.46Å; I85-M89 HydrophobicContact CG2-CG 4.17Å; I85-M89 HydrophobicContact CG2-SD 4.26Å; I85-M89 WeakPolarHBondContact O-CB 3.29Å; I85-M89 WeakPolarHBondContact O-CG 3.34Å; I85-M89 PolarHBondContact O-N 2.9Å; M89-S91 VanDerWaalsContact C-N 3.32Å; M89-S91 PolarHBondContact O-N 2.98Å; M89-G92 CarbonylContact O-C 3.56Å; M89-G92 PolarHBondContact O-N 2.79Å; M89-S93 PolarHBondContact O-N 2.99Å; M89-S93 VanDerWaalsContact O-N 3.08Å; M89-F114 HydrophobicContact CB-CB 4.21Å; M89-F114 HydrophobicContact CB-CD2 3.8Å; M89-F114 HydrophobicContact CB-CE2 4.36Å; M89-F114 HydrophobicContact CB-CG 3.98Å; M89-F114 HydrophobicContact CE-CD1 3.49Å; M89-F114 VanDerWaalsContact CE-CD1 3.49Å; M89-F114 HydrophobicContact CE-CD2 4.17Å; M89-F114 HydrophobicContact CE-CE1 3.32Å; M89-F114 HydrophobicContact CE-CE2 4.02Å; M89-F114 HydrophobicContact CE-CG 3.92Å; M89-F114 HydrophobicContact CE-CZ 3.6Å; M89-F114 HydrophobicContact SD-CD1 4.06Å; M89-F114 HydrophobicContact SD-CE1 4.47Å; M89-F114 HydrophobicContact SD-CG 4.19Å; M89-I116 HydrophobicContact SD-CD1 4.49Å
90	N	89.3	Confident	83.8	Confident	40 Å²	40	60.4 Å²	60.4	21%	0.214	31%	0.31	C	S	.	.	H	α-helix	trans	-68.3	-33	177.5	-77	-52.2	0	0	0	112	Q86 Q87 Y88 S93 F114	Q86-N90 WeakPolarHBondContact CG-ND2 3.37Å; Q86-N90 WeakPolarHBondContact O-CB 3.48Å; Q86-N90 PolarHBondContact O-N 3.37Å; Q86-N90 PolarHBondContact O-ND2 2.77Å; Q87-N90 PolarHBondContact O-N 2.75Å; Y88-N90 PolarHBondContact O-N 2.84Å; N90-S93 WeakPolarHBondContact O-CB 3.45Å; N90-S93 PolarHBondContact O-N 3.22Å; N90-S93 PolarHBondContact O-OG 3.09Å; N90-F114 PolarHBondContact ND2-O 2.79Å; N90-F114 PolarHBondContact OD1-N 2.86Å
91	S	87.3	Confident	84.1	Confident	85 Å²	85	63.2 Å²	63.2	59%	0.594	32%	0.316	S	S	*	.	H	α-helix	trans	-68.3	-38.4	173.4	76.2	0	0	0	0	112.5	Q87 Y88 M89 S93	Q87-S91 WeakPolarHBondContact O-CB 3.4Å; Q87-S91 PolarHBondContact O-N 3.08Å; Q87-S91 PolarHBondContact O-OG 3.34Å; Y88-S91 PolarHBondContact O-N 3.21Å; Y88-S91 PolarHBondContact O-OG 2.9Å; M89-S91 VanDerWaalsContact C-N 3.32Å; M89-S91 PolarHBondContact O-N 2.98Å; S91-S93 VanDerWaalsContact C-N 3.29Å; S91-S93 PolarHBondContact O-N 3.43Å
92	G	83.4	Confident	84.3	Confident	10 Å²	10	69.4 Å²	69.4	10%	0.103	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	1.5	176.1	0	0	0	0	0	115	Y88 M89 S94 E95 L96	Y88-G92 PolarHBondContact O-N 3.38Å; M89-G92 CarbonylContact O-C 3.56Å; M89-G92 PolarHBondContact O-N 2.79Å; G92-S94 PolarHBondContact O-N 3.49Å; G92-S94 VanDerWaalsContact O-N 3.15Å; G92-E95 WeakPolarHBondContact O-CB 3.32Å; G92-E95 PolarHBondContact O-N 3.24Å; G92-L96 PolarHBondContact O-N 3.27Å; G92-L96 VanDerWaalsContact O-N 3.1Å
93	S	84.5	Confident	84.1	Confident	28 Å²	28	71.6 Å²	71.6	20%	0.196	36%	0.364	C	S	.	.	H	α-helix	trans	-58.1	-31.3	-176	61.5	0	0	0	0	113.7	M89 N90 S91 R97	M89-S93 PolarHBondContact O-N 2.99Å; M89-S93 VanDerWaalsContact O-N 3.08Å; N90-S93 WeakPolarHBondContact O-CB 3.45Å; N90-S93 PolarHBondContact O-N 3.22Å; N90-S93 PolarHBondContact O-OG 3.09Å; S91-S93 VanDerWaalsContact C-N 3.29Å; S91-S93 PolarHBondContact O-N 3.43Å; S93-R97 WeakPolarHBondContact O-CB 3.36Å; S93-R97 PolarHBondContact O-N 2.91Å; S93-R97 VanDerWaalsContact O-N 3.08Å
94	S	84.8	Confident	83.7	Confident	74 Å²	74	69.8 Å²	69.8	52%	0.517	35%	0.354	S	S	.	.	H	α-helix	trans	-71	-33.6	175.3	50.6	0	0	0	0	113.4	G92 R97 S98	G92-S94 PolarHBondContact O-N 3.49Å; G92-S94 VanDerWaalsContact O-N 3.15Å; S94-R97 PolarHBondContact O-N 3.42Å; S94-S98 PolarHBondContact O-N 2.85Å; S94-S98 PolarHBondContact O-OG 3.04Å
95	E	83.8	Confident	83.2	Confident	142 Å²	142	67 Å²	67	66%	0.664	35%	0.354	S	S	*	.	H	α-helix	trans	-71.5	-45.1	177.4	-64.6	-178.6	-175	0	0	110.1	G92 R97 S98 L99	G92-E95 WeakPolarHBondContact O-CB 3.32Å; G92-E95 PolarHBondContact O-N 3.24Å; E95-R97 VanDerWaalsContact C-N 3.26Å; E95-R97 PolarHBondContact O-N 2.96Å; E95-S98 WeakPolarHBondContact O-CA 3.38Å; E95-S98 WeakPolarHBondContact O-CB 3.43Å; E95-S98 PolarHBondContact O-N 3.26Å; E95-L99 PolarHBondContact O-N 3.41Å
96	L	82.7	Confident	82.8	Confident	4 Å²	4	76.7 Å²	76.7	2%	0.021	40%	0.395	C	S	.	.	H	α-helix	trans	-56.5	-42.1	172.9	-177.7	131.8	0	0	0	111.8	L27 V30 L36 G92 S98 L99 L100 F112 F114	L27-L96 HydrophobicContact CD2-CD1 3.91Å; L27-L96 HydrophobicContact CD2-CD2 3.91Å; L27-L96 HydrophobicContact CD2-CG 4.49Å; V30-L96 HydrophobicContact CG1-CD1 3.96Å; L36-L96 HydrophobicContact CD1-CD1 3.71Å; L36-L96 HydrophobicContact CD2-CD1 4.49Å; G92-L96 PolarHBondContact O-N 3.27Å; G92-L96 VanDerWaalsContact O-N 3.1Å; L96-S98 VanDerWaalsContact C-N 3.33Å; L96-S98 PolarHBondContact O-N 3.45Å; L96-L99 PolarHBondContact O-N 2.9Å; L96-L100 HydrophobicContact CD2-CD1 3.9Å; L96-L100 PolarHBondContact O-N 2.94Å; L96-F112 HydrophobicContact CD2-CD2 3.27Å; L96-F112 HydrophobicContact CD2-CE2 3.63Å; L96-F112 HydrophobicContact CD2-CG 4.03Å; L96-F114 HydrophobicContact CD1-CZ 4.38Å
97	R	84.7	Confident	82.1	Confident	115 Å²	115	79.5 Å²	79.5	43%	0.434	41%	0.409	S	S	.	.	H	α-helix	trans	-63.7	-38.3	174.9	174.8	165.1	-178.4	-154.7	-2.8	112.7	S93 S94 E95 L100 H101 I109	S93-R97 WeakPolarHBondContact O-CB 3.36Å; S93-R97 PolarHBondContact O-N 2.91Å; S93-R97 VanDerWaalsContact O-N 3.08Å; S94-R97 PolarHBondContact O-N 3.42Å; E95-R97 VanDerWaalsContact C-N 3.26Å; E95-R97 PolarHBondContact O-N 2.96Å; R97-L100 WeakPolarHBondContact O-CB 3.45Å; R97-L100 PolarHBondContact O-N 3.35Å; R97-H101 PolarHBondContact O-N 2.83Å; R97-I109 HydrophobicContact CB-CG2 4.27Å; R97-I109 HydrophobicContact CG-CB 4.22Å; R97-I109 HydrophobicContact CG-CG2 3.67Å
98	S	84.5	Confident	81.8	Confident	70 Å²	70	80.9 Å²	80.9	49%	0.49	41%	0.413	S	S	.	.	H	α-helix	trans	-68.9	-38	177.5	-58.5	0	0	0	0	111.5	S94 E95 L96 L100 H101 K102	S94-S98 PolarHBondContact O-N 2.85Å; S94-S98 PolarHBondContact O-OG 3.04Å; E95-S98 WeakPolarHBondContact O-CA 3.38Å; E95-S98 WeakPolarHBondContact O-CB 3.43Å; E95-S98 PolarHBondContact O-N 3.26Å; L96-S98 VanDerWaalsContact C-N 3.33Å; L96-S98 PolarHBondContact O-N 3.45Å; S98-L100 VanDerWaalsContact C-N 3.35Å; S98-H101 PolarHBondContact O-N 2.93Å; S98-K102 WeakPolarHBondContact O-CG 3.5Å; S98-K102 PolarHBondContact O-N 3.22Å; S98-K102 VanDerWaalsContact O-N 3.17Å
99	L	82	Confident	81.6	Confident	66 Å²	66	76.3 Å²	76.3	35%	0.346	40%	0.396	S	S	.	.	H	α-helix	trans	-62.4	-42.8	173.3	-169.5	68.9	0	0	0	111.2	Y26 V30 V35 E95 L96 H101 K102 G103	Y26-L99 WeakPolarHBondContact OH-CG 3.28Å; V30-L99 HydrophobicContact CG1-CD2 4.36Å; V30-L99 HydrophobicContact CG2-CD2 4.04Å; V35-L99 HydrophobicContact CG1-CD2 4.48Å; E95-L99 PolarHBondContact O-N 3.41Å; L96-L99 PolarHBondContact O-N 2.9Å; L99-H101 VanDerWaalsContact C-N 3.31Å; L99-H101 PolarHBondContact O-N 2.98Å; L99-K102 WeakPolarHBondContact O-CB 3.46Å; L99-K102 PolarHBondContact O-N 3.09Å; L99-G103 PolarHBondContact O-N 2.86Å
100	L	79	Confident	81.4	Confident	13 Å²	13	76.4 Å²	76.4	7%	0.068	40%	0.397	C	S	.	.	H	α-helix	trans	-60.4	-39.7	173.3	-89.9	165.8	0	0	0	112.9	Y26 L96 R97 S98 K102 G103 Y104 I109 F112	Y26-L100 HydrophobicContact CD1-CD1 4.04Å; Y26-L100 HydrophobicContact CD1-CD2 3.24Å; Y26-L100 HydrophobicContact CD1-CG 3.7Å; Y26-L100 HydrophobicContact CD2-CD2 3.74Å; Y26-L100 HydrophobicContact CE1-CB 4.42Å; Y26-L100 HydrophobicContact CE1-CD1 3.76Å; Y26-L100 HydrophobicContact CE1-CD2 3.13Å; Y26-L100 HydrophobicContact CE1-CG 3.13Å; Y26-L100 HydrophobicContact CE2-CD2 3.63Å; Y26-L100 HydrophobicContact CE2-CG 4.26Å; Y26-L100 HydrophobicContact CG-CD2 3.53Å; Y26-L100 HydrophobicContact CG-CG 4.44Å; Y26-L100 VanDerWaalsContact CZ-CG 3.44Å; Y26-L100 PolarHBondContact OH-N 3.4Å; L96-L100 HydrophobicContact CD2-CD1 3.9Å; L96-L100 PolarHBondContact O-N 2.94Å; R97-L100 WeakPolarHBondContact O-CB 3.45Å; R97-L100 PolarHBondContact O-N 3.35Å; S98-L100 VanDerWaalsContact C-N 3.35Å; L100-K102 PolarHBondContact O-N 3.24Å; L100-G103 PolarHBondContact O-N 2.72Å; L100-Y104 HydrophobicContact CD2-CD2 4.23Å; L100-Y104 PolarHBondContact O-N 2.9Å; L100-I109 VanDerWaalsContact C-CD1 3.49Å; L100-I109 HydrophobicContact CB-CD1 3.73Å; L100-I109 HydrophobicContact CB-CG1 4.13Å; L100-I109 HydrophobicContact CB-CG2 3.84Å; L100-I109 HydrophobicContact CD1-CG2 3.77Å; L100-I109 HydrophobicContact CG-CG2 4.41Å; L100-F112 HydrophobicContact CD1-CD2 4.29Å; L100-F112 HydrophobicContact CD1-CE2 3.24Å; L100-F112 HydrophobicContact CD1-CZ 3.68Å
101	H	82.7	Confident	81.4	Confident	101 Å²	101	77.4 Å²	77.4	47%	0.468	41%	0.405	S	S	.	.	H	α-helix	trans	-68.6	-28.2	-179.4	-159.8	-64.3	0	0	0	112.2	R97 S98 L99 P105 I109	R97-H101 PolarHBondContact O-N 2.83Å; S98-H101 PolarHBondContact O-N 2.93Å; L99-H101 VanDerWaalsContact C-N 3.31Å; L99-H101 PolarHBondContact O-N 2.98Å; H101-P105 WeakPolarHBondContact O-CA 3.44Å; H101-I109 HydrophobicContact CB-CD1 3.45Å; H101-I109 VanDerWaalsContact CB-CD1 3.45Å
102	K	82.3	Confident	81.4	Confident	175 Å²	175	73.6 Å²	73.6	76%	0.761	38%	0.377	S	S	*	.	H	α-helix	trans	-70.4	-41	171.8	-68.4	178.3	179.2	-177.2	0	111.7	S98 L99 L100	S98-K102 WeakPolarHBondContact O-CG 3.5Å; S98-K102 PolarHBondContact O-N 3.22Å; S98-K102 VanDerWaalsContact O-N 3.17Å; L99-K102 WeakPolarHBondContact O-CB 3.46Å; L99-K102 PolarHBondContact O-N 3.09Å; L100-K102 PolarHBondContact O-N 3.24Å
103	G	75.9	Confident	81.7	Confident	48 Å²	48	76.9 Å²	76.9	50%	0.495	39%	0.39	S	S	.	.	H	α-helix	trans	-71.9	-36.5	176.8	0	0	0	0	0	113.8	L99 L100	L99-G103 PolarHBondContact O-N 2.86Å; L100-G103 PolarHBondContact O-N 2.72Å
104	Y	75.9	Confident	81.9	Confident	85 Å²	85	75.7 Å²	75.7	33%	0.333	38%	0.381	S	S	.	.			trans	-137	72.3	-171.6	-59.3	-78.3	0	0	0	112.4	H22 Y26 L100 K106 M107	H22-Y104 AromaticContact CE1-CE1 3.77Å; H22-Y104 AromaticContact CE1-CZ 3.48Å; H22-Y104 VanDerWaalsContact CE1-CZ 3.48Å; H22-Y104 PolarHBondContact CE1-OH 3.24Å; H22-Y104 VanDerWaalsContact CE1-OH 3.29Å; H22-Y104 AromaticContact NE2-CD1 3.98Å; H22-Y104 AromaticContact NE2-CE1 3.47Å; H22-Y104 WeakPolarHBondContact NE2-CE1 3.43Å; H22-Y104 AromaticContact NE2-CE2 3.71Å; H22-Y104 AromaticContact NE2-CZ 3.31Å; H22-Y104 VanDerWaalsContact NE2-CZ 3.31Å; Y26-Y104 AromaticContact CD2-CE2 3.95Å; Y26-Y104 HydrophobicContact CD2-CE2 3.95Å; Y26-Y104 HydrophobicContact CE2-CE2 4.28Å; L100-Y104 HydrophobicContact CD2-CD2 4.23Å; L100-Y104 PolarHBondContact O-N 2.9Å; Y104-K106 PolarHBondContact O-N 3.34Å; Y104-K106 VanDerWaalsContact O-N 3.13Å; Y104-M107 PolarHBondContact O-N 2.83Å
105	P	72.9	Confident	82.1	Confident	85 Å²	85	74.6 Å²	74.6	55%	0.552	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.6	-174.1	25.6	-34.9	0	0	0	114.3	H101	H101-P105 WeakPolarHBondContact O-CA 3.44Å
106	K	76.4	Confident	82.1	Confident	206 Å²	206	68.7 Å²	68.7	90%	0.896	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-9	-177	-62.5	-177.1	-178.7	178.5	0	113.8	Y104	Y104-K106 PolarHBondContact O-N 3.34Å; Y104-K106 VanDerWaalsContact O-N 3.13Å
107	M	73.6	Confident	81.9	Confident	88 Å²	88	70.7 Å²	70.7	43%	0.433	35%	0.352	S	S	.	.	S	Bend	trans	-104.5	143.7	-172.8	-71.1	-172.7	131	0	0	112	Y19 Y104 I109	Y19-M107 HydrophobicContact CD2-CE 4.3Å; Y104-M107 PolarHBondContact O-N 2.83Å; M107-I109 PolarHBondContact O-N 3.3Å
108	K	79.2	Confident	81.1	Confident	155 Å²	155	68.8 Å²	68.8	67%	0.674	35%	0.348	S	S	*	.			trans	-71.8	115.8	168.4	-173.2	179.5	177.3	-174.5	0	108.5	Y19	Y19-K108 PolarHBondContact OH-O 3.31Å
109	I	82.2	Confident	79.8	Confident	12 Å²	12	70.4 Å²	70.4	6%	0.062	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-90.4	128.4	-177.7	-62.5	157.6	0	0	0	109.6	R97 L100 H101 M107 F112	R97-I109 HydrophobicContact CB-CG2 4.27Å; R97-I109 HydrophobicContact CG-CB 4.22Å; R97-I109 HydrophobicContact CG-CG2 3.67Å; L100-I109 VanDerWaalsContact C-CD1 3.49Å; L100-I109 HydrophobicContact CB-CD1 3.73Å; L100-I109 HydrophobicContact CB-CG1 4.13Å; L100-I109 HydrophobicContact CB-CG2 3.84Å; L100-I109 HydrophobicContact CD1-CG2 3.77Å; L100-I109 HydrophobicContact CG-CG2 4.41Å; H101-I109 HydrophobicContact CB-CD1 3.45Å; H101-I109 VanDerWaalsContact CB-CD1 3.45Å; M107-I109 PolarHBondContact O-N 3.3Å; I109-F112 HydrophobicContact CG2-CE2 4.24Å
110	P	83.5	Confident	78	Confident	3 Å²	3	72.1 Å²	72.1	2%	0.019	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-78	161.7	-176.9	32.3	-27.1	0	0	0	110.1	Y19 Y54 I57 F112	Y19-P110 VanDerWaalsContact OH-CD 3.28Å; Y19-P110 WeakPolarHBondContact OH-CD 3.5Å; Y54-P110 VanDerWaalsContact O-CB 3.27Å; Y54-P110 WeakPolarHBondContact O-CB 3.27Å; I57-P110 HydrophobicContact CD1-CB 3.83Å; I57-P110 HydrophobicContact CD1-CG 3.44Å; I57-P110 VanDerWaalsContact CD1-CG 3.44Å; I57-P110 HydrophobicContact CG1-CB 3.78Å; I57-P110 HydrophobicContact CG1-CG 3.95Å; P110-F112 HydrophobicContact CG-CE1 3.81Å; P110-F112 HydrophobicContact CG-CE2 3.93Å; P110-F112 HydrophobicContact CG-CZ 3.48Å; P110-F112 VanDerWaalsContact CG-CZ 3.48Å
111	V	87.7	Confident	76.1	Confident	61 Å²	61	74 Å²	74	37%	0.37	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	119.2	166.7	-179.7	0	0	0	0	107.8	A55 K56 I57	A55-V111 PolarHBondContact O-N 3.36Å; K56-V111 CarbonylContact C-O 3.58Å; K56-V111 VanDerWaalsContact CA-O 3.3Å; K56-V111 WeakPolarHBondContact CA-O 3.39Å; K56-V111 HydrophobicContact CG-CB 4.38Å; I57-V111 PolarHBondContact N-O 3.23Å
112	F	88	Confident	73.8	Confident	4 Å²	4	76 Å²	76	2%	0.018	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	129.3	175.4	-59.1	-81.7	0	0	0	109.9	L27 I57 V59 L96 L100 I109 P110 F114	L27-F112 HydrophobicContact CD1-CD1 3.94Å; L27-F112 HydrophobicContact CD1-CE1 3.89Å; L27-F112 HydrophobicContact CD2-CD1 4.34Å; L27-F112 HydrophobicContact CD2-CE1 4.36Å; L27-F112 HydrophobicContact CG-CE1 4.33Å; I57-F112 HydrophobicContact CB-CD1 4.18Å; I57-F112 HydrophobicContact CB-CE1 4.4Å; I57-F112 HydrophobicContact CD1-CE1 4.27Å; I57-F112 HydrophobicContact CG2-CD1 4.47Å; I57-F112 WeakPolarHBondContact O-CA 3.31Å; V59-F112 HydrophobicContact CG2-CB 4.24Å; V59-F112 HydrophobicContact CG2-CD1 3.75Å; V59-F112 HydrophobicContact CG2-CG 4.45Å; L96-F112 HydrophobicContact CD2-CD2 3.27Å; L96-F112 HydrophobicContact CD2-CE2 3.63Å; L96-F112 HydrophobicContact CD2-CG 4.03Å; L100-F112 HydrophobicContact CD1-CD2 4.29Å; L100-F112 HydrophobicContact CD1-CE2 3.24Å; L100-F112 HydrophobicContact CD1-CZ 3.68Å; I109-F112 HydrophobicContact CG2-CE2 4.24Å; P110-F112 HydrophobicContact CG-CE1 3.81Å; P110-F112 HydrophobicContact CG-CE2 3.93Å; P110-F112 HydrophobicContact CG-CZ 3.48Å; P110-F112 VanDerWaalsContact CG-CZ 3.48Å; F112-F114 HydrophobicContact CB-CE2 3.89Å; F112-F114 HydrophobicContact CB-CZ 4.02Å
113	Q	90.1	Very high	71.4	Confident	80 Å²	80	72.3 Å²	72.3	37%	0.374	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.8	172.6	-177.8	169.5	-20.6	0	0	108.4	I57 D58 V59 F115	I57-Q113 PolarHBondContact O-N 2.68Å; D58-Q113 CarbonylContact C-O 3.6Å; D58-Q113 WeakPolarHBondContact CA-O 3.4Å; V59-Q113 PolarHBondContact N-O 3.49Å; Q113-F115 HydrophobicContact CB-CE2 4.39Å; Q113-F115 HydrophobicContact CG-CE2 3.76Å; Q113-F115 HydrophobicContact CG-CZ 3.93Å
114	F	89	Confident	69.5	Low	3 Å²	3	76.3 Å²	76.3	1%	0.013	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.3	-174.8	-64.3	-86.2	0	0	0	110.8	L27 V59 Q86 M89 N90 L96 F112	L27-F114 HydrophobicContact CD2-CZ 4.24Å; V59-F114 HydrophobicContact CB-CD1 3.76Å; V59-F114 HydrophobicContact CB-CE1 3.94Å; V59-F114 HydrophobicContact CG1-CD1 3.93Å; V59-F114 HydrophobicContact CG1-CE1 3.91Å; V59-F114 HydrophobicContact CG2-CD1 4.38Å; V59-F114 HydrophobicContact CG2-CE1 4.15Å; V59-F114 WeakPolarHBondContact O-CA 3.39Å; Q86-F114 WeakPolarHBondContact CG-O 3.38Å; M89-F114 HydrophobicContact CB-CB 4.21Å; M89-F114 HydrophobicContact CB-CD2 3.8Å; M89-F114 HydrophobicContact CB-CE2 4.36Å; M89-F114 HydrophobicContact CB-CG 3.98Å; M89-F114 HydrophobicContact CE-CD1 3.49Å; M89-F114 VanDerWaalsContact CE-CD1 3.49Å; M89-F114 HydrophobicContact CE-CD2 4.17Å; M89-F114 HydrophobicContact CE-CE1 3.32Å; M89-F114 HydrophobicContact CE-CE2 4.02Å; M89-F114 HydrophobicContact CE-CG 3.92Å; M89-F114 HydrophobicContact CE-CZ 3.6Å; M89-F114 HydrophobicContact SD-CD1 4.06Å; M89-F114 HydrophobicContact SD-CE1 4.47Å; M89-F114 HydrophobicContact SD-CG 4.19Å; N90-F114 PolarHBondContact ND2-O 2.79Å; N90-F114 PolarHBondContact OD1-N 2.86Å; L96-F114 HydrophobicContact CD1-CZ 4.38Å; F112-F114 HydrophobicContact CB-CE2 3.89Å; F112-F114 HydrophobicContact CB-CZ 4.02Å
115	F	87.4	Confident	67.3	Low	50 Å²	50	78 Å²	78	22%	0.219	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.9	170.4	-63.6	-84.1	0	0	0	108.3	D58 V59 C61 Q113	D58-F115 HydrophobicContact CB-CD2 4.12Å; D58-F115 HydrophobicContact CB-CE2 3.78Å; V59-F115 PolarHBondContact O-N 2.95Å; C61-F115 PolarHBondContact N-O 3.46Å; Q113-F115 HydrophobicContact CB-CE2 4.39Å; Q113-F115 HydrophobicContact CG-CE2 3.76Å; Q113-F115 HydrophobicContact CG-CZ 3.93Å
116	I	84.5	Confident	65.3	Low	19 Å²	19	79.5 Å²	79.5	10%	0.097	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.3	-178	-57.4	-174.4	0	0	0	108.4	L43 C61 L63 I85 Q86 M89	L43-I116 HydrophobicContact CD1-CD1 4.06Å; L43-I116 HydrophobicContact CD2-CD1 4.22Å; L43-I116 HydrophobicContact CD2-CG2 4.22Å; C61-I116 HydrophobicContact CB-CG1 4.35Å; C61-I116 WeakPolarHBondContact O-CA 3.1Å; L63-I116 HydrophobicContact CB-CG2 3.9Å; I85-I116 HydrophobicContact CB-CD1 3.7Å; I85-I116 HydrophobicContact CG2-CD1 3.51Å; Q86-I116 HydrophobicContact CB-CB 4.32Å; Q86-I116 HydrophobicContact CB-CD1 3.89Å; Q86-I116 HydrophobicContact CB-CG1 3.94Å; Q86-I116 HydrophobicContact CG-CG1 4.48Å; Q86-I116 VanDerWaalsContact N-CD1 3.33Å; M89-I116 HydrophobicContact SD-CD1 4.49Å
117	T	78.7	Confident	63.2	Low	45 Å²	45	75 Å²	75	28%	0.276	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.9	173.5	53.8	0	0	0	0	109.3	C61 K62 L63	C61-T117 PolarHBondContact O-N 2.94Å; C61-T117 PolarHBondContact O-OG1 2.85Å; C61-T117 VanDerWaalsContact O-OG1 3.11Å; K62-T117 WeakPolarHBondContact CA-O 3.34Å; L63-T117 PolarHBondContact N-O 3.23Å; L63-T117 VanDerWaalsContact N-O 3.08Å
118	E	68.3	Low	61	Low	76 Å²	76	77.1 Å²	77.1	36%	0.355	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.8	169.9	-77.3	154.8	-98.8	0	0	109.9	V65 P78 T79	V65-E118 HydrophobicContact CG2-CB 4.44Å; V65-E118 HydrophobicContact CG2-CG 4.21Å; P78-E118 VanDerWaalsContact C-OE2 3.31Å; P78-E118 HydrophobicContact CB-CG 4.49Å; P78-E118 WeakPolarHBondContact CB-OE2 3.38Å; T79-E118 WeakPolarHBondContact CA-OE1 3.41Å; T79-E118 WeakPolarHBondContact CA-OE2 3.45Å; T79-E118 VanDerWaalsContact CB-OE1 3.31Å; T79-E118 WeakPolarHBondContact CB-OE1 3.39Å; T79-E118 WeakPolarHBondContact CG2-OE1 3.19Å; T79-E118 PolarHBondContact N-OE1 3.42Å; T79-E118 PolarHBondContact N-OE2 3.41Å; T79-E118 PolarHBondContact OG1-OE1 3.31Å; T79-E118 PolarHBondContact OG1-OE2 2.88Å
119	Q	57	Low	58.6	Low	104 Å²	104	77.3 Å²	77.3	49%	0.486	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.4	163.3	-169.6	164	26.8	0	0	108.6	C121	Q119-C121 PolarHBondContact O-N 3.08Å
120	T	43.4	Very low	56.2	Low	101 Å²	101	82.4 Å²	82.4	62%	0.62	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	107.9	169.4	50.7	0	0	0	0	108.2
121	C	38.7	Very low	53.5	Low	53 Å²	53	91.1 Å²	91.1	36%	0.358	51%	0.512	S	S	.	.			trans	-86.7	119.1	165	44.6	0	0	0	0	108.4	Q119 V123	Q119-C121 PolarHBondContact O-N 3.08Å; C121-V123 PolarHBondContact O-N 3.33Å
122	I	34.9	Very low	50.7	Low	144 Å²	144	96.1 Å²	96.1	74%	0.738	53%	0.531	S	S	*	.			trans	-75.7	107.8	164.4	-57.4	173.2	0	0	0	105	N124	I122-N124 WeakPolarHBondContact CG2-OD1 3.38Å; I122-N124 PolarHBondContact O-N 3.48Å
123	V	32.3	Very low	47.7	Very low	96 Å²	96	105.1 Å²	105.1	58%	0.582	57%	0.57	S	S	*	*			trans	-70.7	91.3	169	175.7	0	0	0	0	106.3	Y66 C121 T125	Y66-V123 HydrophobicContact CD1-CG2 4.11Å; Y66-V123 HydrophobicContact CE1-CG2 4.25Å; C121-V123 PolarHBondContact O-N 3.33Å; V123-T125 PolarHBondContact O-N 2.98Å; V123-T125 VanDerWaalsContact O-N 3.15Å
124	N	35.5	Very low	44.8	Very low	133 Å²	133	110.1 Å²	110.1	71%	0.711	59%	0.594	S	S	*	*			trans	-68.6	108.2	158.3	-68.6	-13.1	0	0	0	105.1	I122	I122-N124 WeakPolarHBondContact CG2-OD1 3.38Å; I122-N124 PolarHBondContact O-N 3.48Å
125	T	30.4	Very low	42	Very low	119 Å²	119	115 Å²	115	73%	0.73	63%	0.628	S	S	*	*			trans	-43.1	124.7	165.1	20.9	0	0	0	0	107.9	V123 S127	V123-T125 PolarHBondContact O-N 2.98Å; V123-T125 VanDerWaalsContact O-N 3.15Å; T125-S127 PolarHBondContact O-N 2.69Å
126	P	31.3	Very low	39.5	Very low	117 Å²	117	117.1 Å²	117.1	76%	0.76	65%	0.649	S	S	*	*			trans	-64.9	93.8	176.8	25.4	-31.3	0	0	0	107.5	N128	P126-N128 PolarHBondContact O-N 3.18Å
127	S	31.3	Very low	37.2	Very low	112 Å²	112	122.7 Å²	122.7	78%	0.783	68%	0.679	S	S	*	*			trans	-64.8	119.3	158.2	-170.4	0	0	0	0	104.8	T125	T125-S127 PolarHBondContact O-N 2.69Å
128	N	27.8	Very low	35.1	Very low	133 Å²	133	127 Å²	127	71%	0.711	70%	0.701	S	S	*	*			trans	-49.6	148.2	171.6	-67.2	-33.7	0	0	0	109.8	P126	P126-N128 PolarHBondContact O-N 3.18Å
129	D	27.9	Very low	33.6	Very low	159 Å²	159	129 Å²	129	85%	0.85	72%	0.718	S	S	*	*			trans	107.7	130.7	164.5	-50	-25.8	0	0	0	116.3
130	S	33.1	Very low	32.5	Very low	119 Å²	119	130.9 Å²	130.9	83%	0.832	73%	0.73	S	S	*	*			trans	97.6	89.2	166.7	-146.8	0	0	0	0	117.5	H132	S130-H132 PolarHBondContact O-N 2.76Å
131	E	25.2	Very low	32.1	Very low	186 Å²	186	131.6 Å²	131.6	87%	0.869	74%	0.737	S	S	*	*			trans	-37.2	124.3	141.7	-51	-178.1	158.1	0	0	111.5
132	H	28.9	Very low	31.9	Very low	166 Å²	166	134.8 Å²	134.8	77%	0.769	76%	0.755	S	S	*	*			trans	-175	126.4	132.4	-152.2	-56.9	0	0	0	109.9	S130 Q134	S130-H132 PolarHBondContact O-N 2.76Å; H132-Q134 PolarHBondContact O-N 3.5Å
133	F	25.5	Very low	32.1	Very low	192 Å²	192	132.2 Å²	132.2	84%	0.842	76%	0.756	S	S	*	*			trans	-49.2	130.2	167.4	-67.5	-97	0	0	0	112.3
134	Q	30.2	Very low	32.5	Very low	186 Å²	186	133.2 Å²	133.2	87%	0.869	76%	0.757	S	S	*	*			trans	-161.7	110	136	-108.1	166.9	66.5	0	0	110.5	H132 S136	H132-Q134 PolarHBondContact O-N 3.5Å; Q134-S136 PolarHBondContact O-N 3.1Å
135	S	29.1	Very low	32.8	Very low	104 Å²	104	131.7 Å²	131.7	73%	0.727	75%	0.754	S	S	*	*			trans	-65.1	107.4	165.3	174.6	0	0	0	0	108.2
136	S	36.2	Very low	33.4	Very low	96 Å²	96	133.9 Å²	133.9	67%	0.671	76%	0.758	S	S	*	*			trans	-118.6	101.9	161.8	-160.4	0	0	0	0	108.1	Q134 D138	Q134-S136 PolarHBondContact O-N 3.1Å; S136-D138 PolarHBondContact O-N 2.96Å
137	N	35	Very low	33.9	Very low	135 Å²	135	133 Å²	133	72%	0.722	76%	0.755	S	S	*	*			trans	-76.7	68.5	178.1	-65.8	-40	0	0	0	110	V139	N137-V139 VanDerWaalsContact C-N 3.27Å; N137-V139 PolarHBondContact O-N 3.28Å
138	D	35	Very low	34.6	Very low	136 Å²	136	134.8 Å²	134.8	73%	0.727	75%	0.754	S	S	*	*			trans	-94.6	65.5	166.8	-75	-34.5	0	0	0	109.4	S136 I140	S136-D138 PolarHBondContact O-N 2.96Å; D138-I140 PolarHBondContact O-N 2.8Å
139	V	36.1	Very low	35.5	Very low	118 Å²	118	136.8 Å²	136.8	72%	0.715	76%	0.756	S	S	*	*			trans	-75.7	86.9	165.4	-177.1	0	0	0	0	106.3	N137 C141	N137-V139 VanDerWaalsContact C-N 3.27Å; N137-V139 PolarHBondContact O-N 3.28Å; V139-C141 VanDerWaalsContact C-N 3.29Å; V139-C141 PolarHBondContact O-N 3.03Å
140	I	34.2	Very low	36.3	Very low	143 Å²	143	134.4 Å²	134.4	73%	0.733	75%	0.749	S	S	*	*			trans	-59.4	100.7	162.5	-60.5	173.9	0	0	0	105.5	D138 T142	D138-I140 PolarHBondContact O-N 2.8Å; I140-T142 PolarHBondContact O-N 3.33Å
141	C	35	Very low	37.4	Very low	116 Å²	116	133.8 Å²	133.8	78%	0.784	74%	0.737	S	S	*	*			trans	-61.7	87.6	169.5	-77.7	0	0	0	0	107.9	V139 A143	V139-C141 VanDerWaalsContact C-N 3.29Å; V139-C141 PolarHBondContact O-N 3.03Å; C141-A143 PolarHBondContact O-N 2.98Å
142	T	36.1	Very low	38.6	Very low	120 Å²	120	126.9 Å²	126.9	74%	0.736	71%	0.706	S	S	*	*			trans	-60.5	111	163.6	48.1	0	0	0	0	106.2	I140 I144	I140-T142 PolarHBondContact O-N 3.33Å; T142-I144 PolarHBondContact O-N 3.01Å
143	A	39.1	Very low	39.9	Very low	90 Å²	90	125 Å²	125	74%	0.744	71%	0.705	S	S	*	*			trans	-40.5	123.8	-177.9	0	0	0	0	0	110.3	C141 P145	C141-A143 PolarHBondContact O-N 2.98Å; A143-P145 VanDerWaalsContact O-N 3.16Å
144	I	40.1	Very low	41.3	Very low	118 Å²	118	121 Å²	121	61%	0.605	69%	0.686	S	S	*	*			trans	-41	124	173.5	-63.6	164.7	0	0	0	107.2	T142 M146	T142-I144 PolarHBondContact O-N 3.01Å; I144-M146 PolarHBondContact O-N 2.98Å
145	P	42.1	Very low	42.3	Very low	100 Å²	100	116 Å²	116	65%	0.649	68%	0.683	S	S	*	*			trans	-62.3	99.9	171	24.9	-29.9	0	0	0	105.5	A143 S147	A143-P145 VanDerWaalsContact O-N 3.16Å; P145-S147 PolarHBondContact O-N 3.38Å
146	M	41.5	Very low	43.4	Very low	165 Å²	165	114.3 Å²	114.3	81%	0.813	67%	0.666	S	S	*	*			trans	-46.7	116.3	167.3	-83	173.7	68.5	0	0	104.4	I144 I148	I144-M146 PolarHBondContact O-N 2.98Å; M146-I148 WeakPolarHBondContact O-CG1 3.28Å; M146-I148 PolarHBondContact O-N 2.91Å
147	S	42.1	Very low	44.8	Very low	99 Å²	99	114.6 Å²	114.6	69%	0.692	66%	0.657	S	S	*	*			trans	-56.6	97	177	43.7	0	0	0	0	106.4	P145 K149	P145-S147 PolarHBondContact O-N 3.38Å; S147-K149 PolarHBondContact O-N 3.15Å
148	I	46.8	Very low	45.9	Very low	150 Å²	150	116 Å²	116	77%	0.769	65%	0.652	S	S	*	*			trans	-67.9	95.7	176	-63.7	170.2	0	0	0	102.5	M146	M146-I148 WeakPolarHBondContact O-CG1 3.28Å; M146-I148 PolarHBondContact O-N 2.91Å
149	K	46	Very low	47.6	Very low	174 Å²	174	115.3 Å²	115.3	76%	0.757	65%	0.648	S	S	*	*			trans	-42.8	122.4	171.2	175.7	177.5	179.7	170.3	0	105.5	S147 N151	S147-K149 PolarHBondContact O-N 3.15Å; K149-N151 PolarHBondContact O-N 3.39Å
150	P	46	Very low	49.4	Very low	109 Å²	109	115.3 Å²	115.3	71%	0.708	64%	0.638	S	S	*	*			trans	-51.8	111.7	-175.3	18.3	-30.5	0	0	0	106.6	N152	P150-N152 PolarHBondContact O-N 3.2Å
151	N	55.1	Low	51	Low	106 Å²	106	110.8 Å²	110.8	57%	0.567	62%	0.616	S	S	*	*	S	Bend	trans	-68	98.9	178.7	-173.4	2.7	0	0	0	103.4	K149	K149-N151 PolarHBondContact O-N 3.39Å
152	N	51.5	Low	52.9	Low	42 Å²	42	109 Å²	109	23%	0.225	60%	0.601	C	S	.	*			trans	67.9	146.5	173.5	85.7	66.6	0	0	0	117.3	P150 Y154 G155 L156	P150-N152 PolarHBondContact O-N 3.2Å; N152-Y154 VanDerWaalsContact C-N 3.27Å; N152-Y154 PolarHBondContact O-N 2.74Å; N152-Y154 VanDerWaalsContact OD1-C 3.27Å; N152-Y154 PolarHBondContact OD1-N 3.41Å; N152-G155 VanDerWaalsContact OD1-CA 3.22Å; N152-G155 WeakPolarHBondContact OD1-CA 3.48Å; N152-G155 PolarHBondContact OD1-N 3.45Å; N152-L156 WeakPolarHBondContact CB-O 3.44Å; N152-L156 PolarHBondContact ND2-N 3.33Å; N152-L156 PolarHBondContact ND2-O 2.85Å; N152-L156 PolarHBondContact OD1-N 2.93Å; N152-L156 PolarHBondContact OD1-O 2.92Å
153	V	55.7	Low	55	Low	125 Å²	125	107.7 Å²	107.7	76%	0.758	59%	0.585	S	S	*	*	S	Bend	trans	-83.4	0.6	179.9	170.5	0	0	0	0	112
154	Y	54.6	Low	57	Low	110 Å²	110	106.4 Å²	106.4	43%	0.431	57%	0.565	S	S	.	*	S	Bend	trans	-132.7	15.8	-167.3	-65.7	-66.6	0	0	0	114.9	N152 L156 L161 W209	N152-Y154 VanDerWaalsContact C-N 3.27Å; N152-Y154 PolarHBondContact O-N 2.74Å; N152-Y154 VanDerWaalsContact OD1-C 3.27Å; N152-Y154 PolarHBondContact OD1-N 3.41Å; Y154-L156 PolarHBondContact O-N 3.35Å; Y154-L161 HydrophobicContact CD2-CD1 4.24Å; Y154-W209 VanDerWaalsContact OH-CE2 3.24Å; Y154-W209 WeakPolarHBondContact OH-CZ2 3.27Å
155	G	50.7	Low	58.8	Low	79 Å²	79	105 Å²	105	81%	0.814	56%	0.558	S	S	*	*	S	Bend	trans	57	6.5	-170.5	0	0	0	0	0	115.6	N152	N152-G155 VanDerWaalsContact OD1-CA 3.22Å; N152-G155 WeakPolarHBondContact OD1-CA 3.48Å; N152-G155 PolarHBondContact OD1-N 3.45Å
156	L	53.7	Low	60.6	Low	69 Å²	69	102.1 Å²	102.1	36%	0.361	54%	0.54	S	S	.	.	S	Bend	trans	-103.7	119.5	-174	-80.4	165.1	0	0	0	110.4	N152 Y154 R158 L161	N152-L156 WeakPolarHBondContact CB-O 3.44Å; N152-L156 PolarHBondContact ND2-N 3.33Å; N152-L156 PolarHBondContact ND2-O 2.85Å; N152-L156 PolarHBondContact OD1-N 2.93Å; N152-L156 PolarHBondContact OD1-O 2.92Å; Y154-L156 PolarHBondContact O-N 3.35Å; L156-R158 PolarHBondContact O-N 2.92Å; L156-L161 HydrophobicContact CB-CD1 4.06Å; L156-L161 HydrophobicContact CD1-CD1 3.96Å; L156-L161 HydrophobicContact CD1-CG 4.3Å
157	E	64.3	Low	62.5	Low	103 Å²	103	97.1 Å²	97.1	48%	0.481	52%	0.519	S	S	.	.			trans	-36.2	113.9	170.8	-82.9	178.2	156.3	0	0	109.5	D159 K160 L161	E157-D159 PolarHBondContact O-N 3.38Å; E157-K160 HydrophobicContact CB-CB 4.25Å; E157-K160 HydrophobicContact CB-CD 4.17Å; E157-K160 HydrophobicContact CB-CG 4.1Å; E157-K160 WeakPolarHBondContact O-CA 3.39Å; E157-K160 WeakPolarHBondContact O-CB 3.41Å; E157-K160 PolarHBondContact O-N 2.88Å; E157-K160 VanDerWaalsContact OE2-CD 3.3Å; E157-K160 WeakPolarHBondContact OE2-CD 3.36Å; E157-K160 WeakPolarHBondContact OE2-CE 3.46Å; E157-K160 IonicContact OE2-NZ 2.7Å; E157-K160 PolarHBondContact OE2-NZ 3.29Å; E157-L161 PolarHBondContact O-N 3.38Å
158	R	59.3	Low	64.3	Low	164 Å²	164	100.8 Å²	100.8	62%	0.619	52%	0.518	S	S	*	.	H	α-helix	trans	-47.5	-37.4	-174.9	-178	-174.1	179	-140	-0.8	110.8	L156 L161 V162	L156-R158 PolarHBondContact O-N 2.92Å; R158-L161 PolarHBondContact O-N 2.65Å; R158-V162 HydrophobicContact CG-CG2 4.3Å; R158-V162 WeakPolarHBondContact O-CB 3.49Å; R158-V162 VanDerWaalsContact O-CG2 3.23Å; R158-V162 WeakPolarHBondContact O-CG2 3.44Å; R158-V162 PolarHBondContact O-N 3.47Å
159	D	69.3	Low	65.7	Low	122 Å²	122	97.6 Å²	97.6	65%	0.652	50%	0.501	S	S	*	.	H	α-helix	trans	-66.6	-39.4	-179.7	-56.7	-26.4	0	0	0	112.6	E157 K163	E157-D159 PolarHBondContact O-N 3.38Å; D159-K163 WeakPolarHBondContact O-CB 3.46Å; D159-K163 PolarHBondContact O-N 3.49Å
160	K	74.4	Confident	67.3	Low	117 Å²	117	94.6 Å²	94.6	51%	0.509	49%	0.488	S	S	.	.	H	α-helix	trans	-62.9	-44	172.2	-75.3	-180	173.4	137.7	0	111.4	E157 K163 I164	E157-K160 HydrophobicContact CB-CB 4.25Å; E157-K160 HydrophobicContact CB-CD 4.17Å; E157-K160 HydrophobicContact CB-CG 4.1Å; E157-K160 WeakPolarHBondContact O-CA 3.39Å; E157-K160 WeakPolarHBondContact O-CB 3.41Å; E157-K160 PolarHBondContact O-N 2.88Å; E157-K160 VanDerWaalsContact OE2-CD 3.3Å; E157-K160 WeakPolarHBondContact OE2-CD 3.36Å; E157-K160 WeakPolarHBondContact OE2-CE 3.46Å; E157-K160 IonicContact OE2-NZ 2.7Å; E157-K160 PolarHBondContact OE2-NZ 3.29Å; K160-K163 WeakPolarHBondContact O-CB 3.3Å; K160-K163 PolarHBondContact O-N 3.24Å; K160-I164 VanDerWaalsContact O-CG1 3.28Å; K160-I164 WeakPolarHBondContact O-CG1 3.31Å; K160-I164 PolarHBondContact O-N 3.46Å
161	L	68.5	Low	68.7	Low	49 Å²	49	92.1 Å²	92.1	26%	0.257	48%	0.478	S	S	.	.	H	α-helix	trans	-67.3	-45.9	-179	-134.3	169.3	0	0	0	111.3	Y154 L156 E157 R158 K163 I164 I165	Y154-L161 HydrophobicContact CD2-CD1 4.24Å; L156-L161 HydrophobicContact CB-CD1 4.06Å; L156-L161 HydrophobicContact CD1-CD1 3.96Å; L156-L161 HydrophobicContact CD1-CG 4.3Å; E157-L161 PolarHBondContact O-N 3.38Å; R158-L161 PolarHBondContact O-N 2.65Å; L161-K163 VanDerWaalsContact C-N 3.29Å; L161-K163 PolarHBondContact O-N 2.89Å; L161-I164 PolarHBondContact O-N 3.31Å; L161-I165 HydrophobicContact CD2-CD1 3.67Å; L161-I165 HydrophobicContact CD2-CG1 4.12Å; L161-I165 VanDerWaalsContact O-CG1 3.29Å; L161-I165 WeakPolarHBondContact O-CG1 3.48Å; L161-I165 PolarHBondContact O-N 3.18Å
162	V	74.4	Confident	69.3	Low	79 Å²	79	92.2 Å²	92.2	48%	0.479	48%	0.477	S	S	.	.	H	α-helix	trans	-61.3	-39.5	173.8	172.8	0	0	0	0	110.5	R158 I165 S166	R158-V162 HydrophobicContact CG-CG2 4.3Å; R158-V162 WeakPolarHBondContact O-CB 3.49Å; R158-V162 VanDerWaalsContact O-CG2 3.23Å; R158-V162 WeakPolarHBondContact O-CG2 3.44Å; R158-V162 PolarHBondContact O-N 3.47Å; V162-I165 PolarHBondContact O-N 3.08Å; V162-S166 VanDerWaalsContact O-CB 3.26Å; V162-S166 WeakPolarHBondContact O-CB 3.22Å; V162-S166 PolarHBondContact O-N 2.81Å; V162-S166 PolarHBondContact O-OG 3.3Å
163	K	81.1	Confident	69.7	Low	91 Å²	91	98 Å²	98	40%	0.396	50%	0.496	S	S	.	.	H	α-helix	trans	-60.1	-50.5	174.3	-169	173.8	-176.2	178	0	110.8	D159 K160 L161 I165 S166 T167	D159-K163 WeakPolarHBondContact O-CB 3.46Å; D159-K163 PolarHBondContact O-N 3.49Å; K160-K163 WeakPolarHBondContact O-CB 3.3Å; K160-K163 PolarHBondContact O-N 3.24Å; L161-K163 VanDerWaalsContact C-N 3.29Å; L161-K163 PolarHBondContact O-N 2.89Å; K163-I165 PolarHBondContact O-N 2.96Å; K163-S166 WeakPolarHBondContact CA-OG 3.45Å; K163-S166 PolarHBondContact O-N 3.44Å; K163-S166 PolarHBondContact O-OG 2.98Å; K163-T167 WeakPolarHBondContact O-CG2 3.45Å; K163-T167 PolarHBondContact O-N 3.15Å; K163-T167 PolarHBondContact O-OG1 3.21Å; K163-T167 VanDerWaalsContact O-OG1 3.11Å
164	I	80.3	Confident	69.9	Low	64 Å²	64	100.8 Å²	100.8	33%	0.328	50%	0.497	S	S	.	.	H	α-helix	trans	-59.5	-43	176.9	-67	162.6	0	0	0	111.9	K160 L161 T167 R168	K160-I164 VanDerWaalsContact O-CG1 3.28Å; K160-I164 WeakPolarHBondContact O-CG1 3.31Å; K160-I164 PolarHBondContact O-N 3.46Å; L161-I164 PolarHBondContact O-N 3.31Å; I164-T167 WeakPolarHBondContact CA-OG1 3.36Å; I164-T167 PolarHBondContact O-OG1 2.89Å; I164-R168 WeakPolarHBondContact O-CB 3.34Å; I164-R168 WeakPolarHBondContact O-CG 3.44Å; I164-R168 PolarHBondContact O-N 3.1Å
165	I	78.4	Confident	70.2	Confident	88 Å²	88	104.7 Å²	104.7	45%	0.451	52%	0.517	S	S	.	.	H	α-helix	trans	-63.6	-46.9	177.1	-68.9	165.2	0	0	0	109.8	L161 V162 K163 T167 R168 L169	L161-I165 HydrophobicContact CD2-CD1 3.67Å; L161-I165 HydrophobicContact CD2-CG1 4.12Å; L161-I165 VanDerWaalsContact O-CG1 3.29Å; L161-I165 WeakPolarHBondContact O-CG1 3.48Å; L161-I165 PolarHBondContact O-N 3.18Å; V162-I165 PolarHBondContact O-N 3.08Å; K163-I165 PolarHBondContact O-N 2.96Å; I165-T167 PolarHBondContact O-N 3.25Å; I165-R168 PolarHBondContact O-N 3.08Å; I165-L169 HydrophobicContact CG2-CD1 3.86Å; I165-L169 HydrophobicContact CG2-CG 4.3Å; I165-L169 WeakPolarHBondContact O-CB 3.45Å; I165-L169 VanDerWaalsContact O-CG 3.28Å; I165-L169 WeakPolarHBondContact O-CG 3.3Å; I165-L169 PolarHBondContact O-N 3.43Å
166	S	80	Confident	70.2	Confident	40 Å²	40	104 Å²	104	28%	0.28	50%	0.499	S	S	.	.	H	α-helix	trans	-65.1	-39.8	-178.6	74	0	0	0	0	112.5	V162 K163 L169 K170	V162-S166 VanDerWaalsContact O-CB 3.26Å; V162-S166 WeakPolarHBondContact O-CB 3.22Å; V162-S166 PolarHBondContact O-N 2.81Å; V162-S166 PolarHBondContact O-OG 3.3Å; K163-S166 WeakPolarHBondContact CA-OG 3.45Å; K163-S166 PolarHBondContact O-N 3.44Å; K163-S166 PolarHBondContact O-OG 2.98Å; S166-L169 PolarHBondContact O-N 3Å; S166-K170 WeakPolarHBondContact O-CB 3.48Å; S166-K170 WeakPolarHBondContact O-CG 3.4Å; S166-K170 PolarHBondContact O-N 3.36Å
167	T	80.6	Confident	69.7	Low	59 Å²	59	107.2 Å²	107.2	36%	0.362	51%	0.512	S	S	.	.	H	α-helix	trans	-68	-43.6	176.8	54	0	0	0	0	111	K163 I164 I165 K170 A171	K163-T167 WeakPolarHBondContact O-CG2 3.45Å; K163-T167 PolarHBondContact O-N 3.15Å; K163-T167 PolarHBondContact O-OG1 3.21Å; K163-T167 VanDerWaalsContact O-OG1 3.11Å; I164-T167 WeakPolarHBondContact CA-OG1 3.36Å; I164-T167 PolarHBondContact O-OG1 2.89Å; I165-T167 PolarHBondContact O-N 3.25Å; T167-K170 PolarHBondContact O-N 2.85Å; T167-A171 WeakPolarHBondContact O-CB 3.39Å; T167-A171 PolarHBondContact O-N 3.06Å
168	R	79.9	Confident	68.9	Low	177 Å²	177	108.2 Å²	108.2	67%	0.668	53%	0.528	S	S	*	.	H	α-helix	trans	-60.9	-44.9	173.1	-78.7	-177.1	169.7	173.4	-1.2	112.2	I164 I165 K170 A171 I172	I164-R168 WeakPolarHBondContact O-CB 3.34Å; I164-R168 WeakPolarHBondContact O-CG 3.44Å; I164-R168 PolarHBondContact O-N 3.1Å; I165-R168 PolarHBondContact O-N 3.08Å; R168-K170 PolarHBondContact O-N 3.38Å; R168-A171 PolarHBondContact O-N 2.93Å; R168-I172 WeakPolarHBondContact O-CD1 3.15Å; R168-I172 VanDerWaalsContact O-CG1 3.24Å; R168-I172 WeakPolarHBondContact O-CG1 3.31Å; R168-I172 PolarHBondContact O-N 2.82Å
169	L	76.9	Confident	68.2	Low	82 Å²	82	107.6 Å²	107.6	43%	0.429	54%	0.536	S	S	.	.	H	α-helix	trans	-63.1	-40.3	176	-73.3	175.9	0	0	0	112	I165 S166 I172 R173	I165-L169 HydrophobicContact CG2-CD1 3.86Å; I165-L169 HydrophobicContact CG2-CG 4.3Å; I165-L169 WeakPolarHBondContact O-CB 3.45Å; I165-L169 VanDerWaalsContact O-CG 3.28Å; I165-L169 WeakPolarHBondContact O-CG 3.3Å; I165-L169 PolarHBondContact O-N 3.43Å; S166-L169 PolarHBondContact O-N 3Å; L169-I172 PolarHBondContact O-N 3.35Å; L169-R173 WeakPolarHBondContact O-CB 3.47Å; L169-R173 VanDerWaalsContact O-CG 3.31Å; L169-R173 WeakPolarHBondContact O-CG 3.27Å; L169-R173 PolarHBondContact O-N 2.84Å
170	K	79.1	Confident	66.8	Low	111 Å²	111	108.1 Å²	108.1	48%	0.483	53%	0.534	S	S	.	.	H	α-helix	trans	-62.2	-44	173.4	-78.6	-178.5	-180	-175.1	0	111.3	S166 T167 R168 R173 K174	S166-K170 WeakPolarHBondContact O-CB 3.48Å; S166-K170 WeakPolarHBondContact O-CG 3.4Å; S166-K170 PolarHBondContact O-N 3.36Å; T167-K170 PolarHBondContact O-N 2.85Å; R168-K170 PolarHBondContact O-N 3.38Å; K170-R173 PolarHBondContact O-N 3.46Å; K170-K174 WeakPolarHBondContact O-CG 3.42Å; K170-K174 PolarHBondContact O-N 2.96Å
171	A	74.7	Confident	65.2	Low	58 Å²	58	108 Å²	108	48%	0.479	55%	0.548	S	S	.	.	H	α-helix	trans	-63.4	-42.1	177.6	0	0	0	0	0	112.3	T167 R168 K174 K175	T167-A171 WeakPolarHBondContact O-CB 3.39Å; T167-A171 PolarHBondContact O-N 3.06Å; R168-A171 PolarHBondContact O-N 2.93Å; A171-K174 PolarHBondContact O-N 3.25Å; A171-K175 PolarHBondContact O-N 3.21Å; A171-K175 VanDerWaalsContact O-N 3.1Å
172	I	67.5	Low	63.7	Low	108 Å²	108	114.3 Å²	114.3	55%	0.554	57%	0.568	S	S	*	*	H	α-helix	trans	-64.1	-44.8	175.4	-65.6	162.9	0	0	0	110.5	R168 L169 K174 K175 S176	R168-I172 WeakPolarHBondContact O-CD1 3.15Å; R168-I172 VanDerWaalsContact O-CG1 3.24Å; R168-I172 WeakPolarHBondContact O-CG1 3.31Å; R168-I172 PolarHBondContact O-N 2.82Å; L169-I172 PolarHBondContact O-N 3.35Å; I172-K174 PolarHBondContact O-N 2.97Å; I172-K175 PolarHBondContact O-N 3.42Å; I172-K175 VanDerWaalsContact O-N 3.11Å; I172-S176 PolarHBondContact O-N 2.81Å; I172-S176 PolarHBondContact O-OG 3.29Å
173	R	61.1	Low	61.9	Low	163 Å²	163	118 Å²	118	62%	0.615	59%	0.585	S	S	*	*	H	α-helix	trans	-62.3	-41.5	176.7	-74.8	-179.8	-165.2	163.8	3.8	112.6	L169 K170 K175 S176 H177	L169-R173 WeakPolarHBondContact O-CB 3.47Å; L169-R173 VanDerWaalsContact O-CG 3.31Å; L169-R173 WeakPolarHBondContact O-CG 3.27Å; L169-R173 PolarHBondContact O-N 2.84Å; K170-R173 PolarHBondContact O-N 3.46Å; R173-K175 PolarHBondContact O-N 3.41Å; R173-S176 PolarHBondContact O-N 3.07Å; R173-H177 PolarHBondContact O-N 3.01Å
174	K	60.4	Low	60	Low	183 Å²	183	120.8 Å²	120.8	80%	0.796	60%	0.604	S	S	*	*	H	α-helix	trans	-61.3	-31.7	174.5	-77.3	-168.7	175.4	-171.8	0	112	K170 A171 I172	K170-K174 WeakPolarHBondContact O-CG 3.42Å; K170-K174 PolarHBondContact O-N 2.96Å; A171-K174 PolarHBondContact O-N 3.25Å; I172-K174 PolarHBondContact O-N 2.97Å
175	K	59.5	Low	58	Low	193 Å²	193	124.3 Å²	124.3	84%	0.839	62%	0.622	S	S	*	*	H	α-helix	trans	-84.9	-25.3	179.9	-154.3	151.6	-178	176.9	0	113.4	A171 I172 R173	A171-K175 PolarHBondContact O-N 3.21Å; A171-K175 VanDerWaalsContact O-N 3.1Å; I172-K175 PolarHBondContact O-N 3.42Å; I172-K175 VanDerWaalsContact O-N 3.11Å; R173-K175 PolarHBondContact O-N 3.41Å
176	S	50.8	Low	56.1	Low	63 Å²	63	125.8 Å²	125.8	44%	0.441	64%	0.64	S	S	.	*	H	α-helix	trans	-91	-18.2	-176	75.8	0	0	0	0	114.9	I172 R173	I172-S176 PolarHBondContact O-N 2.81Å; I172-S176 PolarHBondContact O-OG 3.29Å; R173-S176 PolarHBondContact O-N 3.07Å
177	H	43	Very low	54.2	Low	138 Å²	138	129.3 Å²	129.3	64%	0.639	66%	0.656	S	S	*	*			trans	-145	107.5	178.7	-67.4	-67.8	0	0	0	113.3	R173	R173-H177 PolarHBondContact O-N 3.01Å
178	P	48.8	Very low	52.1	Low	124 Å²	124	132.1 Å²	132.1	81%	0.805	68%	0.678	S	S	*	*	S	Bend	trans	-76.5	-6	164.3	-9.2	25.3	0	0	0	113.6
179	L	43.5	Very low	50.4	Low	151 Å²	151	129.2 Å²	129.2	79%	0.791	67%	0.668	S	S	*	*	S	Bend	trans	-128.4	77.2	-176.1	-72.4	95.3	0	0	0	111.9
180	E	39.7	Very low	48.7	Very low	133 Å²	133	133.5 Å²	133.5	62%	0.621	69%	0.686	S	S	*	*			trans	-171.7	98.7	141.8	-113.4	-162.4	154.7	0	0	108.1	R182	E180-R182 PolarHBondContact O-N 3.19Å; E180-R182 IonicContact OE1-CZ 3.79Å; E180-R182 IonicContact OE1-NH1 3.7Å; E180-R182 IonicContact OE1-NH2 3.62Å; E180-R182 IonicContact OE2-CZ 3.52Å; E180-R182 IonicContact OE2-NH1 2.72Å; E180-R182 PolarHBondContact OE2-NH1 3.46Å; E180-R182 IonicContact OE2-NH2 3.95Å
181	S	40.4	Very low	46.9	Very low	113 Å²	113	136.3 Å²	136.3	79%	0.79	70%	0.7	S	S	*	*			trans	-65.2	78.9	169.1	47.1	0	0	0	0	110.2
182	R	37.5	Very low	45.4	Very low	182 Å²	182	139 Å²	139	69%	0.687	71%	0.705	S	S	*	*			trans	-89.6	108.4	163.2	-82.4	-166.8	173.9	103.2	5.9	109.1	E180 L184	E180-R182 PolarHBondContact O-N 3.19Å; E180-R182 IonicContact OE1-CZ 3.79Å; E180-R182 IonicContact OE1-NH1 3.7Å; E180-R182 IonicContact OE1-NH2 3.62Å; E180-R182 IonicContact OE2-CZ 3.52Å; E180-R182 IonicContact OE2-NH1 2.72Å; E180-R182 PolarHBondContact OE2-NH1 3.46Å; E180-R182 IonicContact OE2-NH2 3.95Å; R182-L184 VanDerWaalsContact C-N 3.34Å; R182-L184 PolarHBondContact O-N 3.45Å
183	N	37	Very low	44.2	Very low	157 Å²	157	140.8 Å²	140.8	84%	0.84	72%	0.716	S	S	*	*			trans	-54.1	78.9	-179.8	-60.4	-43	0	0	0	113.8
184	L	41.6	Very low	43.4	Very low	149 Å²	149	139 Å²	139	78%	0.78	72%	0.718	S	S	*	*			trans	-107.9	95.7	167.8	-74.6	165.8	0	0	0	108.6	R182	R182-L184 VanDerWaalsContact C-N 3.34Å; R182-L184 PolarHBondContact O-N 3.45Å
185	I	38.7	Very low	42.5	Very low	139 Å²	139	134.6 Å²	134.6	71%	0.713	71%	0.709	S	S	*	*			trans	20.4	105.2	149.7	-56.8	166.7	0	0	0	113.3	D187	I185-D187 VanDerWaalsContact C-N 3.25Å; I185-D187 PolarHBondContact O-N 3.48Å
186	S	38.6	Very low	41.7	Very low	118 Å²	118	131.3 Å²	131.3	83%	0.825	71%	0.708	S	S	*	*			trans	-70.4	76.2	179.1	-176.4	0	0	0	0	110.7	S188	S186-S188 VanDerWaalsContact C-N 3.27Å; S186-S188 PolarHBondContact O-N 3.03Å
187	D	39.8	Very low	41.2	Very low	115 Å²	115	136.5 Å²	136.5	62%	0.615	73%	0.725	S	S	*	*			trans	-73.5	90.8	166.5	-67.4	-21.6	0	0	0	108.2	I185 Y189	I185-D187 VanDerWaalsContact C-N 3.25Å; I185-D187 PolarHBondContact O-N 3.48Å; D187-Y189 HydrophobicContact CB-CD1 4.24Å; D187-Y189 HydrophobicContact CB-CE1 4.49Å; D187-Y189 PolarHBondContact O-N 3.18Å
188	S	35.8	Very low	41.2	Very low	118 Å²	118	134.4 Å²	134.4	83%	0.825	73%	0.726	S	S	*	*			trans	-57.5	106.9	163.1	173.7	0	0	0	0	108.6	S186	S186-S188 VanDerWaalsContact C-N 3.27Å; S186-S188 PolarHBondContact O-N 3.03Å
189	Y	44.7	Very low	41.1	Very low	115 Å²	115	134.5 Å²	134.5	45%	0.451	72%	0.719	S	S	.	*			trans	-145.8	137.4	161.5	66.1	-93	0	0	0	110.9	D187	D187-Y189 HydrophobicContact CB-CD1 4.24Å; D187-Y189 HydrophobicContact CB-CE1 4.49Å; D187-Y189 PolarHBondContact O-N 3.18Å
190	E	40.5	Very low	41.3	Very low	173 Å²	173	136.2 Å²	136.2	81%	0.808	72%	0.72	S	S	*	*			trans	-35.7	124.7	-179.2	-65.5	-89.5	137.3	0	0	113.9	I192	E190-I192 VanDerWaalsContact C-N 3.31Å; E190-I192 PolarHBondContact O-N 3.3Å
191	E	41	Very low	42.1	Very low	170 Å²	170	134.8 Å²	134.8	79%	0.794	71%	0.713	S	S	*	*			trans	-69.4	86.7	172.7	-166.7	168.7	-145.6	0	0	108.3	N193	E191-N193 PolarHBondContact O-N 3.29Å
192	I	43.3	Very low	42.6	Very low	114 Å²	114	134.3 Å²	134.3	59%	0.585	70%	0.701	S	S	*	*			trans	-64.5	102.9	173.6	-54.5	173.3	0	0	0	106.7	E190 I194	E190-I192 VanDerWaalsContact C-N 3.31Å; E190-I192 PolarHBondContact O-N 3.3Å; I192-I194 HydrophobicContact CB-CG1 4.31Å; I192-I194 HydrophobicContact CG2-CG1 3.69Å; I192-I194 PolarHBondContact O-N 2.96Å
193	N	43.2	Very low	43.6	Very low	145 Å²	145	133 Å²	133	78%	0.775	70%	0.703	S	S	*	*			trans	-62.7	79.5	165.1	-79.4	-53.5	0	0	0	108.3	E191 S195	E191-N193 PolarHBondContact O-N 3.29Å; N193-S195 VanDerWaalsContact C-N 3.3Å; N193-S195 PolarHBondContact O-N 2.69Å
194	I	44.4	Very low	44.9	Very low	127 Å²	127	130.2 Å²	130.2	65%	0.651	69%	0.692	S	S	*	*			trans	-71.9	98.6	169.7	-52.4	167.2	0	0	0	104.9	I192	I192-I194 HydrophobicContact CB-CG1 4.31Å; I192-I194 HydrophobicContact CG2-CG1 3.69Å; I192-I194 PolarHBondContact O-N 2.96Å
195	S	40.3	Very low	46	Very low	89 Å²	89	126.4 Å²	126.4	62%	0.622	68%	0.677	S	S	*	*			trans	-44.3	132.4	167.4	-178.3	0	0	0	0	108.4	N193 E197	N193-S195 VanDerWaalsContact C-N 3.3Å; N193-S195 PolarHBondContact O-N 2.69Å; S195-E197 PolarHBondContact O-N 3.43Å
196	P	43	Very low	47.4	Very low	125 Å²	125	123 Å²	123	81%	0.812	66%	0.66	S	S	*	*			trans	-71.6	69.7	176.7	31.2	-33.9	0	0	0	108.7	S198	P196-S198 PolarHBondContact O-N 2.9Å
197	E	41.4	Very low	49.1	Very low	172 Å²	172	121.1 Å²	121.1	80%	0.804	64%	0.644	S	S	*	*			trans	-63.1	112.9	168.7	-162.9	160.2	-156.3	0	0	105.7	S195 I199	S195-E197 PolarHBondContact O-N 3.43Å; E197-I199 PolarHBondContact O-N 3.01Å
198	S	42	Very low	50.7	Low	94 Å²	94	119.2 Å²	119.2	66%	0.657	64%	0.639	S	S	*	*			trans	-62.5	87.6	-171.2	65	0	0	0	0	108.9	P196 K200	P196-S198 PolarHBondContact O-N 2.9Å; S198-K200 PolarHBondContact O-N 3.16Å
199	I	47.2	Very low	52.4	Low	126 Å²	126	119.5 Å²	119.5	65%	0.646	62%	0.623	S	S	*	*			trans	-59.3	104.7	154.1	-56.9	175.8	0	0	0	102.5	E197 Q201	E197-I199 PolarHBondContact O-N 3.01Å; I199-Q201 HydrophobicContact CG2-CB 3.98Å; I199-Q201 HydrophobicContact CG2-CG 4.24Å; I199-Q201 PolarHBondContact O-N 2.96Å
200	K	47.7	Very low	54	Low	187 Å²	187	116.3 Å²	116.3	81%	0.813	62%	0.62	S	S	*	*			trans	-63.6	70.9	168.3	-68.3	-176.9	179	-179.3	0	106.1	S198 D202	S198-K200 PolarHBondContact O-N 3.16Å; K200-D202 PolarHBondContact O-N 3.29Å
201	Q	55.3	Low	55.8	Low	103 Å²	103	115.2 Å²	115.2	48%	0.481	61%	0.613	S	S	.	*			trans	-82.5	112.5	-176.2	-151.3	175	-7.2	0	0	103.9	I199 H203 I206	I199-Q201 HydrophobicContact CG2-CB 3.98Å; I199-Q201 HydrophobicContact CG2-CG 4.24Å; I199-Q201 PolarHBondContact O-N 2.96Å; Q201-H203 PolarHBondContact O-N 3.34Å; Q201-I206 HydrophobicContact CB-CD1 3.95Å; Q201-I206 HydrophobicContact CG-CD1 3.74Å; Q201-I206 HydrophobicContact CG-CG1 4.29Å
202	D	52.3	Low	57.5	Low	102 Å²	102	114 Å²	114	55%	0.545	60%	0.601	S	S	.	*			trans	-53.1	104.5	-176.6	-71.6	-30.7	0	0	0	109.6	K200 T204 S205 I206	K200-D202 PolarHBondContact O-N 3.29Å; D202-T204 PolarHBondContact O-N 3.41Å; D202-T204 VanDerWaalsContact O-N 3.1Å; D202-S205 WeakPolarHBondContact CB-OG 3.24Å; D202-S205 WeakPolarHBondContact O-CB 3.48Å; D202-S205 PolarHBondContact O-N 2.96Å; D202-I206 PolarHBondContact O-N 2.98Å
203	H	57.6	Low	59.1	Low	154 Å²	154	115 Å²	115	71%	0.713	60%	0.598	S	S	*	*	H	α-helix	trans	-56.2	-28.9	178.7	-83.7	-79.5	0	0	0	111	Q201 T207	Q201-H203 PolarHBondContact O-N 3.34Å; H203-T207 VanDerWaalsContact O-CB 3.3Å; H203-T207 WeakPolarHBondContact O-CB 3.36Å; H203-T207 PolarHBondContact O-N 3.32Å; H203-T207 PolarHBondContact O-OG1 2.87Å
204	T	64.6	Low	60.8	Low	99 Å²	99	115 Å²	115	61%	0.607	59%	0.591	S	S	*	*	H	α-helix	trans	-61.4	-53.1	171.3	46.4	0	0	0	0	111.5	D202 I206 T207 S208	D202-T204 PolarHBondContact O-N 3.41Å; D202-T204 VanDerWaalsContact O-N 3.1Å; T204-I206 VanDerWaalsContact C-N 3.34Å; T204-I206 PolarHBondContact O-N 3.01Å; T204-T207 PolarHBondContact O-N 3.5Å; T204-S208 WeakPolarHBondContact O-CB 2.96Å; T204-S208 PolarHBondContact O-N 3.47Å; T204-S208 PolarHBondContact O-OG 3.01Å
205	S	64.6	Low	62.6	Low	69 Å²	69	113.6 Å²	113.6	48%	0.483	58%	0.582	S	S	.	*	H	α-helix	trans	-59.9	-41.4	178.3	-59.9	0	0	0	0	112.3	D202 W209	D202-S205 WeakPolarHBondContact CB-OG 3.24Å; D202-S205 WeakPolarHBondContact O-CB 3.48Å; D202-S205 PolarHBondContact O-N 2.96Å; S205-W209 WeakPolarHBondContact O-CB 3.28Å; S205-W209 PolarHBondContact O-N 3.04Å
206	I	68.8	Low	64.4	Low	68 Å²	68	116 Å²	116	35%	0.349	58%	0.577	S	S	.	*	H	α-helix	trans	-64	-45.8	176.4	-64.1	161.8	0	0	0	110.8	Q201 D202 T204 W209 A210	Q201-I206 HydrophobicContact CB-CD1 3.95Å; Q201-I206 HydrophobicContact CG-CD1 3.74Å; Q201-I206 HydrophobicContact CG-CG1 4.29Å; D202-I206 PolarHBondContact O-N 2.98Å; T204-I206 VanDerWaalsContact C-N 3.34Å; T204-I206 PolarHBondContact O-N 3.01Å; I206-W209 PolarHBondContact O-N 2.87Å; I206-A210 WeakPolarHBondContact O-CB 3.44Å; I206-A210 PolarHBondContact O-N 3.04Å
207	T	73.7	Confident	66.1	Low	78 Å²	78	113.8 Å²	113.8	48%	0.479	56%	0.556	S	S	.	*	H	α-helix	trans	-66.1	-41.3	-179.4	-56.2	0	0	0	0	111.3	H203 T204 A210 K211	H203-T207 VanDerWaalsContact O-CB 3.3Å; H203-T207 WeakPolarHBondContact O-CB 3.36Å; H203-T207 PolarHBondContact O-N 3.32Å; H203-T207 PolarHBondContact O-OG1 2.87Å; T204-T207 PolarHBondContact O-N 3.5Å; T207-A210 PolarHBondContact O-N 3.2Å; T207-K211 WeakPolarHBondContact O-CG 3.39Å; T207-K211 PolarHBondContact O-N 2.89Å
208	S	72.8	Confident	68	Low	75 Å²	75	109.9 Å²	109.9	52%	0.524	54%	0.541	S	S	.	.	H	α-helix	trans	-61.7	-43.8	175.5	-60.4	0	0	0	0	111.8	T204 K211 Y212	T204-S208 WeakPolarHBondContact O-CB 2.96Å; T204-S208 PolarHBondContact O-N 3.47Å; T204-S208 PolarHBondContact O-OG 3.01Å; S208-K211 PolarHBondContact O-N 3.38Å; S208-Y212 PolarHBondContact O-N 3.11Å
209	W	72.4	Confident	69.7	Low	125 Å²	125	112.9 Å²	112.9	47%	0.473	54%	0.538	S	S	.	.	H	α-helix	trans	-67.1	-41.2	176.6	-177.5	85.3	0	0	0	112.3	Y154 S205 I206 K211 Y212 W213	Y154-W209 VanDerWaalsContact OH-CE2 3.24Å; Y154-W209 WeakPolarHBondContact OH-CZ2 3.27Å; S205-W209 WeakPolarHBondContact O-CB 3.28Å; S205-W209 PolarHBondContact O-N 3.04Å; I206-W209 PolarHBondContact O-N 2.87Å; W209-K211 VanDerWaalsContact C-N 3.28Å; W209-K211 PolarHBondContact O-N 3.47Å; W209-Y212 PolarHBondContact O-N 3.32Å; W209-W213 HydrophobicContact CH2-CG 4.25Å; W209-W213 HydrophobicContact CZ2-CB 4.48Å; W209-W213 AromaticContact CZ2-CD1 3.84Å; W209-W213 HydrophobicContact CZ2-CG 4.29Å; W209-W213 WeakPolarHBondContact O-CB 3.43Å; W209-W213 PolarHBondContact O-N 3.24Å
210	A	77.8	Confident	71.3	Confident	48 Å²	48	114.2 Å²	114.2	40%	0.397	54%	0.535	S	S	.	.	H	α-helix	trans	-60.5	-38.7	175.9	0	0	0	0	0	111.9	I206 T207 K214	I206-A210 WeakPolarHBondContact O-CB 3.44Å; I206-A210 PolarHBondContact O-N 3.04Å; T207-A210 PolarHBondContact O-N 3.2Å; A210-K214 PolarHBondContact O-N 3.39Å; A210-K214 VanDerWaalsContact O-N 3.08Å
211	K	79.4	Confident	72.9	Confident	150 Å²	150	108.1 Å²	108.1	65%	0.652	52%	0.519	S	S	*	.	H	α-helix	trans	-62.9	-51.6	171.6	-76.5	-176.9	177.4	-177	0	111.6	T207 S208 W209 W213 K214 E215	T207-K211 WeakPolarHBondContact O-CG 3.39Å; T207-K211 PolarHBondContact O-N 2.89Å; S208-K211 PolarHBondContact O-N 3.38Å; W209-K211 VanDerWaalsContact C-N 3.28Å; W209-K211 PolarHBondContact O-N 3.47Å; K211-W213 VanDerWaalsContact C-N 3.29Å; K211-W213 PolarHBondContact O-N 3.36Å; K211-K214 PolarHBondContact O-N 3.19Å; K211-E215 WeakPolarHBondContact O-CB 3.36Å; K211-E215 PolarHBondContact O-N 3.36Å
212	Y	76.4	Confident	74.2	Confident	143 Å²	143	106.8 Å²	106.8	56%	0.561	52%	0.515	S	S	*	.	H	α-helix	trans	-60.5	-38.8	-179.4	-163.1	-89.5	0	0	0	112.5	S208 W209 R216	S208-Y212 PolarHBondContact O-N 3.11Å; W209-Y212 PolarHBondContact O-N 3.32Å; Y212-R216 WeakPolarHBondContact O-CB 3.49Å; Y212-R216 PolarHBondContact O-N 3.37Å
213	W	76.6	Confident	75.6	Confident	136 Å²	136	104 Å²	104	52%	0.515	51%	0.506	S	S	.	.	H	α-helix	trans	-69	-42.4	178	-165.3	86.9	0	0	0	112	W209 K211 R216 Q217	W209-W213 HydrophobicContact CH2-CG 4.25Å; W209-W213 HydrophobicContact CZ2-CB 4.48Å; W209-W213 AromaticContact CZ2-CD1 3.84Å; W209-W213 HydrophobicContact CZ2-CG 4.29Å; W209-W213 WeakPolarHBondContact O-CB 3.43Å; W209-W213 PolarHBondContact O-N 3.24Å; K211-W213 VanDerWaalsContact C-N 3.29Å; K211-W213 PolarHBondContact O-N 3.36Å; W213-R216 PolarHBondContact O-N 3.17Å; W213-Q217 HydrophobicContact CD2-CG 4.3Å; W213-Q217 HydrophobicContact CE3-CG 4.04Å; W213-Q217 HydrophobicContact CH2-CG 4.09Å; W213-Q217 HydrophobicContact CZ2-CG 4.33Å; W213-Q217 HydrophobicContact CZ3-CG 3.94Å; W213-Q217 WeakPolarHBondContact O-CG 3.4Å; W213-Q217 PolarHBondContact O-N 2.91Å; W213-Q217 VanDerWaalsContact O-N 3.09Å
214	K	78.2	Confident	77	Confident	146 Å²	146	102.7 Å²	102.7	64%	0.635	50%	0.498	S	S	*	.	H	α-helix	trans	-57.6	-51.8	171.3	-96.4	-169	174.7	-175.4	0	111.3	A210 K211 R216 Q217 D218	A210-K214 PolarHBondContact O-N 3.39Å; A210-K214 VanDerWaalsContact O-N 3.08Å; K211-K214 PolarHBondContact O-N 3.19Å; K214-R216 PolarHBondContact O-N 2.9Å; K214-Q217 CarbonylContact O-C 3.47Å; K214-Q217 WeakPolarHBondContact O-CA 3.3Å; K214-Q217 WeakPolarHBondContact O-CB 3.43Å; K214-Q217 PolarHBondContact O-N 3.39Å; K214-D218 PolarHBondContact O-N 2.86Å
215	E	83.4	Confident	78	Confident	97 Å²	97	106.5 Å²	106.5	45%	0.453	50%	0.501	S	S	.	.	H	α-helix	trans	-54.9	-42.9	178.9	-173.1	-178	177.9	0	0	111.4	K211 Q217 D218 W219	K211-E215 WeakPolarHBondContact O-CB 3.36Å; K211-E215 PolarHBondContact O-N 3.36Å; E215-Q217 VanDerWaalsContact C-N 3.34Å; E215-Q217 PolarHBondContact O-N 3.34Å; E215-D218 PolarHBondContact O-N 3.42Å; E215-W219 PolarHBondContact O-N 3.24Å
216	R	76.4	Confident	78.9	Confident	139 Å²	139	106.8 Å²	106.8	53%	0.525	50%	0.498	S	S	.	.	H	α-helix	trans	-65.7	-31.4	176.6	-165.7	169.5	-179.1	101.5	-3.4	113.6	Y212 W213 K214 R220	Y212-R216 WeakPolarHBondContact O-CB 3.49Å; Y212-R216 PolarHBondContact O-N 3.37Å; W213-R216 PolarHBondContact O-N 3.17Å; K214-R216 PolarHBondContact O-N 2.9Å; R216-R220 WeakPolarHBondContact O-CG 3.27Å; R216-R220 PolarHBondContact O-N 3.36Å
217	Q	78.7	Confident	79.5	Confident	78 Å²	78	111.8 Å²	111.8	36%	0.364	51%	0.512	S	S	.	.	H	α-helix	trans	-75.4	-37.6	172.3	-63.3	-55.5	-33.4	0	0	111.6	W213 K214 E215 R220 A221	W213-Q217 HydrophobicContact CD2-CG 4.3Å; W213-Q217 HydrophobicContact CE3-CG 4.04Å; W213-Q217 HydrophobicContact CH2-CG 4.09Å; W213-Q217 HydrophobicContact CZ2-CG 4.33Å; W213-Q217 HydrophobicContact CZ3-CG 3.94Å; W213-Q217 WeakPolarHBondContact O-CG 3.4Å; W213-Q217 PolarHBondContact O-N 2.91Å; W213-Q217 VanDerWaalsContact O-N 3.09Å; K214-Q217 CarbonylContact O-C 3.47Å; K214-Q217 WeakPolarHBondContact O-CA 3.3Å; K214-Q217 WeakPolarHBondContact O-CB 3.43Å; K214-Q217 PolarHBondContact O-N 3.39Å; E215-Q217 VanDerWaalsContact C-N 3.34Å; E215-Q217 PolarHBondContact O-N 3.34Å; Q217-R220 WeakPolarHBondContact O-CB 3.13Å; Q217-R220 PolarHBondContact O-N 3.44Å; Q217-R220 VanDerWaalsContact O-N 3.1Å; Q217-A221 PolarHBondContact O-N 2.9Å
218	D	82.6	Confident	80	Confident	91 Å²	91	115.5 Å²	115.5	49%	0.487	52%	0.517	S	S	.	.	H	α-helix	trans	-62.6	-43.6	176.7	-66.1	-26.1	0	0	0	110.7	K214 E215 R220 A221 I222	K214-D218 PolarHBondContact O-N 2.86Å; E215-D218 PolarHBondContact O-N 3.42Å; D218-R220 VanDerWaalsContact C-N 3.27Å; D218-R220 PolarHBondContact O-N 3.09Å; D218-A221 CarbonylContact O-C 3.57Å; D218-A221 WeakPolarHBondContact O-CA 3.48Å; D218-A221 WeakPolarHBondContact O-CB 3.26Å; D218-A221 PolarHBondContact O-N 3.06Å; D218-I222 VanDerWaalsContact O-CG1 3.28Å; D218-I222 WeakPolarHBondContact O-CG1 3.42Å; D218-I222 PolarHBondContact O-N 3.27Å
219	W	77	Confident	80.2	Confident	156 Å²	156	116.1 Å²	116.1	59%	0.591	51%	0.514	S	S	*	.	H	α-helix	trans	-57.2	-37.6	172.1	-77.3	118.4	0	0	0	113.1	E215 I222 A223	E215-W219 PolarHBondContact O-N 3.24Å; W219-I222 HydrophobicContact CE3-CD1 4.11Å; W219-I222 HydrophobicContact CZ3-CD1 4.36Å; W219-A223 VanDerWaalsContact O-CB 3.3Å; W219-A223 WeakPolarHBondContact O-CB 3.48Å; W219-A223 PolarHBondContact O-N 3.2Å
220	R	82	Confident	80.3	Confident	154 Å²	154	118.7 Å²	118.7	58%	0.581	52%	0.524	S	S	*	.	H	α-helix	trans	-68.2	-38.5	174.6	-70.2	174.6	179.3	-89.1	0.2	111.8	R216 Q217 D218 K224	R216-R220 WeakPolarHBondContact O-CG 3.27Å; R216-R220 PolarHBondContact O-N 3.36Å; Q217-R220 WeakPolarHBondContact O-CB 3.13Å; Q217-R220 PolarHBondContact O-N 3.44Å; Q217-R220 VanDerWaalsContact O-N 3.1Å; D218-R220 VanDerWaalsContact C-N 3.27Å; D218-R220 PolarHBondContact O-N 3.09Å; R220-K224 WeakPolarHBondContact O-CB 3.24Å; R220-K224 PolarHBondContact O-N 3.39Å
221	A	80.4	Confident	80.2	Confident	59 Å²	59	123.1 Å²	123.1	49%	0.488	54%	0.536	S	S	.	.	H	α-helix	trans	-67.3	-43.9	176.2	0	0	0	0	0	111.7	Q217 D218 K224 R225	Q217-A221 PolarHBondContact O-N 2.9Å; D218-A221 CarbonylContact O-C 3.57Å; D218-A221 WeakPolarHBondContact O-CA 3.48Å; D218-A221 WeakPolarHBondContact O-CB 3.26Å; D218-A221 PolarHBondContact O-N 3.06Å; A221-K224 PolarHBondContact O-N 3.23Å; A221-R225 PolarHBondContact O-N 3.29Å
222	I	82.1	Confident	80	Confident	75 Å²	75	122.6 Å²	122.6	39%	0.385	54%	0.536	S	S	.	.	H	α-helix	trans	-59.4	-51.8	174.5	-66.3	162.9	0	0	0	109.9	D218 W219 K224 R225 D226	D218-I222 VanDerWaalsContact O-CG1 3.28Å; D218-I222 WeakPolarHBondContact O-CG1 3.42Å; D218-I222 PolarHBondContact O-N 3.27Å; W219-I222 HydrophobicContact CE3-CD1 4.11Å; W219-I222 HydrophobicContact CZ3-CD1 4.36Å; I222-K224 PolarHBondContact O-N 3.42Å; I222-R225 CarbonylContact O-C 3.57Å; I222-R225 WeakPolarHBondContact O-CA 3.44Å; I222-R225 WeakPolarHBondContact O-CB 3.42Å; I222-R225 PolarHBondContact O-N 2.83Å; I222-D226 PolarHBondContact O-N 3.2Å
223	A	83.2	Confident	79.5	Confident	43 Å²	43	118.1 Å²	118.1	36%	0.355	53%	0.525	S	S	.	.	H	α-helix	trans	-59	-35.8	178.1	0	0	0	0	0	112.7	W219 R227	W219-A223 VanDerWaalsContact O-CB 3.3Å; W219-A223 WeakPolarHBondContact O-CB 3.48Å; W219-A223 PolarHBondContact O-N 3.2Å; A223-R227 VanDerWaalsContact O-CG 3.3Å; A223-R227 WeakPolarHBondContact O-CG 3.5Å; A223-R227 PolarHBondContact O-N 2.94Å; A223-R227 VanDerWaalsContact O-N 3.11Å
224	K	87.2	Confident	78.8	Confident	128 Å²	128	114.7 Å²	114.7	56%	0.557	52%	0.52	S	S	*	.	H	α-helix	trans	-70.2	-37.4	175.3	-166.4	175.1	-174.6	177.2	0	111.8	R220 A221 I222 R228	R220-K224 WeakPolarHBondContact O-CB 3.24Å; R220-K224 PolarHBondContact O-N 3.39Å; A221-K224 PolarHBondContact O-N 3.23Å; I222-K224 PolarHBondContact O-N 3.42Å; K224-R228 WeakPolarHBondContact O-CG 3.42Å; K224-R228 PolarHBondContact O-N 3.26Å
225	R	84.6	Confident	78.1	Confident	178 Å²	178	109.7 Å²	109.7	67%	0.672	51%	0.509	S	S	*	.	H	α-helix	trans	-65.1	-48	174.1	-171.7	-173.8	-174	113	1.4	111.1	A221 I222 R227 R228 L229	A221-R225 PolarHBondContact O-N 3.29Å; I222-R225 CarbonylContact O-C 3.57Å; I222-R225 WeakPolarHBondContact O-CA 3.44Å; I222-R225 WeakPolarHBondContact O-CB 3.42Å; I222-R225 PolarHBondContact O-N 2.83Å; R225-R227 VanDerWaalsContact C-N 3.32Å; R225-R227 PolarHBondContact O-N 3.27Å; R225-R228 WeakPolarHBondContact O-CA 3.47Å; R225-R228 WeakPolarHBondContact O-CB 3.48Å; R225-R228 PolarHBondContact O-N 3.17Å; R225-L229 HydrophobicContact CG-CD1 4.32Å; R225-L229 PolarHBondContact O-N 3.24Å
226	D	83.3	Confident	76.9	Confident	76 Å²	76	110.4 Å²	110.4	41%	0.406	52%	0.515	S	S	.	.	H	α-helix	trans	-59.5	-42	178.1	-83	13.1	0	0	0	112.1	I222 R228 L229 R230	I222-D226 PolarHBondContact O-N 3.2Å; D226-R228 VanDerWaalsContact C-N 3.33Å; D226-R228 PolarHBondContact O-N 3.45Å; D226-L229 PolarHBondContact O-N 2.9Å; D226-R230 WeakPolarHBondContact O-CG 3.43Å; D226-R230 PolarHBondContact O-N 3.3Å
227	R	80.8	Confident	76.3	Confident	173 Å²	173	108.2 Å²	108.2	65%	0.653	51%	0.511	S	S	*	.	H	α-helix	trans	-59	-45.2	173.1	-74.9	175.1	-171.6	-179.1	2.1	111.6	A223 R225 R230 H231	A223-R227 VanDerWaalsContact O-CG 3.3Å; A223-R227 WeakPolarHBondContact O-CG 3.5Å; A223-R227 PolarHBondContact O-N 2.94Å; A223-R227 VanDerWaalsContact O-N 3.11Å; R225-R227 VanDerWaalsContact C-N 3.32Å; R225-R227 PolarHBondContact O-N 3.27Å; R227-R230 PolarHBondContact O-N 2.89Å; R227-H231 PolarHBondContact O-CD2 3.25Å; R227-H231 PolarHBondContact O-N 3.27Å
228	R	84.6	Confident	75.5	Confident	156 Å²	156	111.4 Å²	111.4	59%	0.589	52%	0.524	S	S	*	.	H	α-helix	trans	-63	-41.7	176.7	-72.3	174.3	177.9	178	-3.7	111.9	K224 R225 D226 H231 Q232	K224-R228 WeakPolarHBondContact O-CG 3.42Å; K224-R228 PolarHBondContact O-N 3.26Å; R225-R228 WeakPolarHBondContact O-CA 3.47Å; R225-R228 WeakPolarHBondContact O-CB 3.48Å; R225-R228 PolarHBondContact O-N 3.17Å; D226-R228 VanDerWaalsContact C-N 3.33Å; D226-R228 PolarHBondContact O-N 3.45Å; R228-H231 PolarHBondContact O-N 2.99Å; R228-Q232 WeakPolarHBondContact O-CG 3.41Å; R228-Q232 PolarHBondContact O-N 3.41Å
229	L	78	Confident	74.4	Confident	87 Å²	87	112.8 Å²	112.8	46%	0.455	53%	0.531	S	S	.	.	H	α-helix	trans	-62.6	-44.5	176.9	-73.7	172.6	0	0	0	111.6	R225 D226 H231 Q232 S233	R225-L229 HydrophobicContact CG-CD1 4.32Å; R225-L229 PolarHBondContact O-N 3.24Å; D226-L229 PolarHBondContact O-N 2.9Å; L229-H231 VanDerWaalsContact C-N 3.33Å; L229-H231 PolarHBondContact O-N 2.81Å; L229-Q232 PolarHBondContact O-N 2.95Å; L229-Q232 VanDerWaalsContact O-N 3.16Å; L229-S233 PolarHBondContact O-N 3.38Å
230	R	74.3	Confident	73.6	Confident	180 Å²	180	108.4 Å²	108.4	68%	0.679	52%	0.521	S	S	*	.	H	α-helix	trans	-60.9	-41.7	173.7	-70.1	-175.7	-170.5	-152.1	1.9	112	D226 R227 Q232 S233 T234	D226-R230 WeakPolarHBondContact O-CG 3.43Å; D226-R230 PolarHBondContact O-N 3.3Å; R227-R230 PolarHBondContact O-N 2.89Å; R230-Q232 VanDerWaalsContact C-N 3.3Å; R230-Q232 PolarHBondContact O-N 3.14Å; R230-S233 PolarHBondContact O-N 2.8Å; R230-S233 PolarHBondContact O-OG 3.13Å; R230-T234 VanDerWaalsContact O-CG2 3.28Å; R230-T234 WeakPolarHBondContact O-CG2 2.9Å; R230-T234 PolarHBondContact O-N 3.45Å; R230-T234 PolarHBondContact O-OG1 3.07Å
231	H	75	Confident	72.5	Confident	140 Å²	140	106.6 Å²	106.6	65%	0.648	52%	0.519	S	S	*	.	H	α-helix	trans	-66.3	-32.8	175.9	-70.3	-54.6	0	0	0	112.7	R227 R228 L229 T234	R227-H231 PolarHBondContact O-CD2 3.25Å; R227-H231 PolarHBondContact O-N 3.27Å; R228-H231 PolarHBondContact O-N 2.99Å; L229-H231 VanDerWaalsContact C-N 3.33Å; L229-H231 PolarHBondContact O-N 2.81Å; H231-T234 WeakPolarHBondContact CA-OG1 3.41Å; H231-T234 PolarHBondContact O-OG1 3.33Å
232	Q	75.1	Confident	71.5	Confident	140 Å²	140	108.4 Å²	108.4	65%	0.654	52%	0.521	S	S	*	.	H	α-helix	trans	-73.2	-40.4	173.7	-73.7	-176.8	-0.8	0	0	112.3	R228 L229 R230 T234	R228-Q232 WeakPolarHBondContact O-CG 3.41Å; R228-Q232 PolarHBondContact O-N 3.41Å; L229-Q232 PolarHBondContact O-N 2.95Å; L229-Q232 VanDerWaalsContact O-N 3.16Å; R230-Q232 VanDerWaalsContact C-N 3.3Å; R230-Q232 PolarHBondContact O-N 3.14Å; Q232-T234 VanDerWaalsContact C-N 3.35Å
233	S	67	Low	70.3	Confident	48 Å²	48	110.8 Å²	110.8	34%	0.336	53%	0.53	S	S	.	.	H	α-helix	trans	-64.1	-42.2	177.3	73.5	0	0	0	0	110.6	L229 R230 G235 L236 E237	L229-S233 PolarHBondContact O-N 3.38Å; R230-S233 PolarHBondContact O-N 2.8Å; R230-S233 PolarHBondContact O-OG 3.13Å; S233-G235 PolarHBondContact O-N 3Å; S233-G235 VanDerWaalsContact O-N 3.07Å; S233-L236 WeakPolarHBondContact O-CA 3.49Å; S233-L236 VanDerWaalsContact O-CB 3.26Å; S233-L236 WeakPolarHBondContact O-CB 3.46Å; S233-L236 PolarHBondContact O-N 3.45Å; S233-E237 VanDerWaalsContact C-CG 3.5Å; S233-E237 WeakPolarHBondContact CB-OE1 3.28Å; S233-E237 WeakPolarHBondContact O-CG 3.34Å; S233-E237 PolarHBondContact O-N 2.78Å; S233-E237 PolarHBondContact OG-OE1 3.16Å
234	T	61.8	Low	69	Low	65 Å²	65	114.1 Å²	114.1	40%	0.399	54%	0.539	S	S	.	.	H	α-helix	trans	-52	-39.6	-177.2	47.5	0	0	0	0	113.1	R230 H231 Q232 E237 F238	R230-T234 VanDerWaalsContact O-CG2 3.28Å; R230-T234 WeakPolarHBondContact O-CG2 2.9Å; R230-T234 PolarHBondContact O-N 3.45Å; R230-T234 PolarHBondContact O-OG1 3.07Å; H231-T234 WeakPolarHBondContact CA-OG1 3.41Å; H231-T234 PolarHBondContact O-OG1 3.33Å; Q232-T234 VanDerWaalsContact C-N 3.35Å; T234-E237 VanDerWaalsContact CA-OE1 3.29Å; T234-E237 WeakPolarHBondContact CA-OE1 3.29Å; T234-E237 PolarHBondContact N-OE1 3.03Å; T234-E237 VanDerWaalsContact N-OE1 3.14Å; T234-F238 VanDerWaalsContact O-CD2 3.23Å; T234-F238 WeakPolarHBondContact O-CD2 3.37Å; T234-F238 PolarHBondContact O-N 2.82Å
235	G	62.6	Low	67.6	Low	40 Å²	40	114.8 Å²	114.8	41%	0.412	54%	0.541	S	S	.	.	H	α-helix	trans	-69.9	-30.8	176.3	0	0	0	0	0	114.1	S233 L239	S233-G235 PolarHBondContact O-N 3Å; S233-G235 VanDerWaalsContact O-N 3.07Å; G235-L239 PolarHBondContact O-N 3.14Å
236	L	58.9	Low	66.4	Low	112 Å²	112	109.2 Å²	109.2	59%	0.586	53%	0.53	S	S	*	.	H	α-helix	trans	-73.2	-41.1	177.4	-115.4	153.4	0	0	0	111.7	S233 F238 L239 T240	S233-L236 WeakPolarHBondContact O-CA 3.49Å; S233-L236 VanDerWaalsContact O-CB 3.26Å; S233-L236 WeakPolarHBondContact O-CB 3.46Å; S233-L236 PolarHBondContact O-N 3.45Å; L236-F238 VanDerWaalsContact C-N 3.26Å; L236-F238 PolarHBondContact O-N 3.47Å; L236-L239 PolarHBondContact O-N 3.22Å; L236-T240 PolarHBondContact O-N 3.04Å; L236-T240 PolarHBondContact O-OG1 3.39Å
237	E	62.7	Low	65.2	Low	93 Å²	93	110.2 Å²	110.2	44%	0.435	54%	0.535	S	S	.	.	H	α-helix	trans	-63.8	-34.3	176.8	-8.3	-174.4	-169.9	0	0	110.7	S233 T234 T240 H241	S233-E237 VanDerWaalsContact C-CG 3.5Å; S233-E237 WeakPolarHBondContact CB-OE1 3.28Å; S233-E237 WeakPolarHBondContact O-CG 3.34Å; S233-E237 PolarHBondContact O-N 2.78Å; S233-E237 PolarHBondContact OG-OE1 3.16Å; T234-E237 VanDerWaalsContact CA-OE1 3.29Å; T234-E237 WeakPolarHBondContact CA-OE1 3.29Å; T234-E237 PolarHBondContact N-OE1 3.03Å; T234-E237 VanDerWaalsContact N-OE1 3.14Å; E237-T240 WeakPolarHBondContact CA-OG1 3.26Å; E237-T240 PolarHBondContact O-OG1 2.92Å; E237-T240 VanDerWaalsContact O-OG1 3.07Å; E237-H241 WeakPolarHBondContact O-CB 3.39Å; E237-H241 PolarHBondContact O-CD2 3.28Å; E237-H241 PolarHBondContact O-N 3.11Å
238	F	63	Low	64.1	Low	146 Å²	146	108 Å²	108	64%	0.64	54%	0.536	S	S	*	.	H	α-helix	trans	-65.5	-37	171.3	-91.9	-73.2	0	0	0	112.9	T234 L236 N242	T234-F238 VanDerWaalsContact O-CD2 3.23Å; T234-F238 WeakPolarHBondContact O-CD2 3.37Å; T234-F238 PolarHBondContact O-N 2.82Å; L236-F238 VanDerWaalsContact C-N 3.26Å; L236-F238 PolarHBondContact O-N 3.47Å; F238-N242 WeakPolarHBondContact O-CB 3.23Å; F238-N242 PolarHBondContact O-N 3.32Å; F238-N242 PolarHBondContact O-ND2 3.04Å; F238-N242 VanDerWaalsContact O-ND2 3.14Å
239	L	58.9	Low	62.9	Low	120 Å²	120	106.3 Å²	106.3	63%	0.628	54%	0.543	S	S	*	.	H	α-helix	trans	-72.4	-43.6	176.9	-72.1	170.3	0	0	0	111.5	G235 L236 N242 Q243	G235-L239 PolarHBondContact O-N 3.14Å; L236-L239 PolarHBondContact O-N 3.22Å; L239-N242 PolarHBondContact O-N 3.23Å; L239-Q243 WeakPolarHBondContact O-CB 3.4Å; L239-Q243 PolarHBondContact O-N 2.94Å
240	T	60.8	Low	61.8	Low	64 Å²	64	110.4 Å²	110.4	39%	0.393	56%	0.56	S	S	.	*	H	α-helix	trans	-64.6	-43.5	179.3	54.4	0	0	0	0	111.7	L236 E237 N242 Q243 E244	L236-T240 PolarHBondContact O-N 3.04Å; L236-T240 PolarHBondContact O-OG1 3.39Å; E237-T240 WeakPolarHBondContact CA-OG1 3.26Å; E237-T240 PolarHBondContact O-OG1 2.92Å; E237-T240 VanDerWaalsContact O-OG1 3.07Å; T240-N242 VanDerWaalsContact C-N 3.3Å; T240-N242 PolarHBondContact O-N 3.17Å; T240-Q243 PolarHBondContact O-N 3.07Å; T240-Q243 VanDerWaalsContact O-N 3.17Å; T240-E244 PolarHBondContact O-N 3.36Å
241	H	58.9	Low	60.5	Low	115 Å²	115	111.9 Å²	111.9	53%	0.532	58%	0.581	S	S	.	*	H	α-helix	trans	-66	-32.2	176.5	-88.8	-50.1	0	0	0	113.4	E237 E244 K245	E237-H241 WeakPolarHBondContact O-CB 3.39Å; E237-H241 PolarHBondContact O-CD2 3.28Å; E237-H241 PolarHBondContact O-N 3.11Å; H241-E244 IonicContact ND1-OE2 3.67Å; H241-K245 WeakPolarHBondContact O-CB 3.35Å; H241-K245 WeakPolarHBondContact O-CG 3.46Å; H241-K245 PolarHBondContact O-N 3.4Å
242	N	58.4	Low	59.8	Low	97 Å²	97	110.5 Å²	110.5	52%	0.519	58%	0.578	S	S	.	*	H	α-helix	trans	-74.3	-30.1	174.8	-74.2	-19.2	0	0	0	112	F238 L239 T240 S246	F238-N242 WeakPolarHBondContact O-CB 3.23Å; F238-N242 PolarHBondContact O-N 3.32Å; F238-N242 PolarHBondContact O-ND2 3.04Å; F238-N242 VanDerWaalsContact O-ND2 3.14Å; L239-N242 PolarHBondContact O-N 3.23Å; T240-N242 VanDerWaalsContact C-N 3.3Å; T240-N242 PolarHBondContact O-N 3.17Å; N242-S246 PolarHBondContact O-N 2.91Å; N242-S246 VanDerWaalsContact O-N 3.11Å
243	Q	57	Low	59	Low	126 Å²	126	108.9 Å²	108.9	59%	0.589	57%	0.574	S	S	*	*	H	α-helix	trans	-77.3	-39	178.2	-149.9	173.5	17.8	0	0	112.2	L239 T240 K245 S246 N247	L239-Q243 WeakPolarHBondContact O-CB 3.4Å; L239-Q243 PolarHBondContact O-N 2.94Å; T240-Q243 PolarHBondContact O-N 3.07Å; T240-Q243 VanDerWaalsContact O-N 3.17Å; Q243-K245 VanDerWaalsContact C-N 3.33Å; Q243-K245 PolarHBondContact O-N 3.09Å; Q243-S246 PolarHBondContact O-N 3.2Å; Q243-S246 PolarHBondContact O-OG 3.41Å; Q243-N247 VanDerWaalsContact O-CG 3.28Å; Q243-N247 PolarHBondContact O-N 3.22Å; Q243-N247 VanDerWaalsContact O-N 3.09Å; Q243-N247 PolarHBondContact O-ND2 3.3Å
244	E	57.1	Low	58.6	Low	113 Å²	113	112.3 Å²	112.3	53%	0.528	59%	0.587	S	S	.	*	H	α-helix	trans	-59.7	-45.4	170	-76	176.3	166.3	0	0	110.8	T240 H241 S246 N247 D248	T240-E244 PolarHBondContact O-N 3.36Å; H241-E244 IonicContact ND1-OE2 3.67Å; E244-S246 VanDerWaalsContact C-N 3.29Å; E244-S246 PolarHBondContact O-N 3.03Å; E244-N247 PolarHBondContact O-N 3.5Å; E244-D248 PolarHBondContact O-N 3.09Å; E244-D248 VanDerWaalsContact O-N 3.09Å
245	K	57.5	Low	58.4	Low	142 Å²	142	115.1 Å²	115.1	62%	0.617	60%	0.598	S	S	*	*	H	α-helix	trans	-62.7	-29.6	175.5	-78.7	179.8	179.5	177.8	0	114.2	H241 Q243 V249	H241-K245 WeakPolarHBondContact O-CB 3.35Å; H241-K245 WeakPolarHBondContact O-CG 3.46Å; H241-K245 PolarHBondContact O-N 3.4Å; Q243-K245 VanDerWaalsContact C-N 3.33Å; Q243-K245 PolarHBondContact O-N 3.09Å; K245-V249 WeakPolarHBondContact O-CG2 3.36Å
246	S	58.9	Low	58.1	Low	61 Å²	61	119.8 Å²	119.8	43%	0.427	61%	0.61	S	S	.	*	H	α-helix	trans	-76.4	-35.9	175.8	73.8	0	0	0	0	111.8	N242 Q243 E244 D248 V249	N242-S246 PolarHBondContact O-N 2.91Å; N242-S246 VanDerWaalsContact O-N 3.11Å; Q243-S246 PolarHBondContact O-N 3.2Å; Q243-S246 PolarHBondContact O-OG 3.41Å; E244-S246 VanDerWaalsContact C-N 3.29Å; E244-S246 PolarHBondContact O-N 3.03Å; S246-D248 VanDerWaalsContact C-N 3.34Å; S246-V249 PolarHBondContact O-N 3.34Å
247	N	58.3	Low	58.1	Low	96 Å²	96	120.3 Å²	120.3	51%	0.513	61%	0.611	S	S	.	*	H	α-helix	trans	-70.4	-30.9	179.2	-64.7	-17.1	0	0	0	112.4	Q243 E244 V249 E250	Q243-N247 VanDerWaalsContact O-CG 3.28Å; Q243-N247 PolarHBondContact O-N 3.22Å; Q243-N247 VanDerWaalsContact O-N 3.09Å; Q243-N247 PolarHBondContact O-ND2 3.3Å; E244-N247 PolarHBondContact O-N 3.5Å; N247-V249 PolarHBondContact O-N 3.24Å; N247-E250 PolarHBondContact O-N 3.44Å
248	D	57.8	Low	57.7	Low	126 Å²	126	122.3 Å²	122.3	67%	0.674	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-12.8	174.8	-70.5	-22.4	0	0	0	113.5	E244 S246	E244-D248 PolarHBondContact O-N 3.09Å; E244-D248 VanDerWaalsContact O-N 3.09Å; S246-D248 VanDerWaalsContact C-N 3.34Å
249	V	58.5	Low	57.3	Low	122 Å²	122	120.5 Å²	120.5	74%	0.739	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-15.5	178.6	178.1	0	0	0	0	112.1	K245 S246 N247	K245-V249 WeakPolarHBondContact O-CG2 3.36Å; S246-V249 PolarHBondContact O-N 3.34Å; N247-V249 PolarHBondContact O-N 3.24Å
250	E	55.4	Low	57.2	Low	172 Å²	172	120.5 Å²	120.5	80%	0.804	62%	0.622	S	S	*	*			trans	-96.5	0.2	179.3	-90.2	-173.7	159.9	0	0	114.9	N247	N247-E250 PolarHBondContact O-N 3.44Å
251	N	48	Very low	56.9	Low	212 Å²	212	125.6 Å²	125.6	100%	1.134	64%	0.643	S	S	*	*			trans	-114.8	0	174.5	-108	-4.1	0	0	0	111.8

Retrieved 251 of 251 residues in 489.6 ms (Link to these results)

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