A0A5K4EJ27_SCHMA Loading...

Putative trna delta(2)-isopentenylpyrophosphate transferase

AlphaFold DB (A0A3Q0KJV5), UniProt , Accession A0A5K4EJ27, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 377 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45	Very low	48.3	Very low	187 Å²	187	92.5 Å²	92.5	92%	0.921	52%	0.516	S	S	*	.				0	145.3	0	-67.8	-160.4	175	0	0	109.8	F3	M1-F3 PolarHBondContact O-N 3.15Å
2	P	42.7	Very low	49.1	Very low	89 Å²	89	94.8 Å²	94.8	58%	0.578	52%	0.519	S	S	*	.			trans	-63.6	138	-179.2	26.2	-31.4	0	0	0	110.3	N4 C5	P2-N4 PolarHBondContact O-N 3.05Å; P2-C5 HydrophobicContact CG-CB 4.41Å; P2-C5 WeakPolarHBondContact O-CB 3.46Å; P2-C5 PolarHBondContact O-N 2.85Å
3	F	42.9	Very low	49.8	Very low	173 Å²	173	92.2 Å²	92.2	76%	0.759	50%	0.501	S	S	*	.	H	α-helix	trans	-48.4	-32.9	-176.4	-145.7	-97.7	0	0	0	113.1	M1 C5 I6 V7	M1-F3 PolarHBondContact O-N 3.15Å; F3-C5 PolarHBondContact O-N 2.81Å; F3-I6 PolarHBondContact O-N 3.37Å; F3-V7 HydrophobicContact CD1-CG2 4.32Å; F3-V7 PolarHBondContact O-N 3.41Å
4	N	42.3	Very low	50.6	Low	139 Å²	139	88.1 Å²	88.1	74%	0.743	48%	0.481	S	S	*	.	H	α-helix	trans	-63.7	-32.9	176.7	-71.6	-11.3	0	0	0	114.1	P2 G8	P2-N4 PolarHBondContact O-N 3.05Å; N4-G8 PolarHBondContact O-N 2.96Å
5	C	46	Very low	51.3	Low	75 Å²	75	85.6 Å²	85.6	51%	0.507	47%	0.473	S	S	.	.	H	α-helix	trans	-68.6	-36.2	177	-80.2	0	0	0	0	112.1	P2 F3 G8 S9	P2-C5 HydrophobicContact CG-CB 4.41Å; P2-C5 WeakPolarHBondContact O-CB 3.46Å; P2-C5 PolarHBondContact O-N 2.85Å; F3-C5 PolarHBondContact O-N 2.81Å; C5-G8 PolarHBondContact O-N 3.15Å; C5-S9 PolarHBondContact O-N 3.41Å
6	I	49.4	Very low	52.3	Low	48 Å²	48	86.8 Å²	86.8	25%	0.246	47%	0.474	C	S	.	.	H	α-helix	trans	-72.4	-44.6	-178.5	-63.8	162.3	0	0	0	110.2	F3 G8 S9 I10 V60 T64	F3-I6 PolarHBondContact O-N 3.37Å; I6-G8 VanDerWaalsContact C-N 3.28Å; I6-G8 PolarHBondContact O-N 3.03Å; I6-S9 PolarHBondContact O-N 3.27Å; I6-I10 HydrophobicContact CG2-CD1 4.02Å; I6-I10 WeakPolarHBondContact O-CG1 3.36Å; I6-I10 PolarHBondContact O-N 2.95Å; I6-V60 HydrophobicContact CG2-CG1 4.17Å; I6-T64 HydrophobicContact CD1-CG2 3.8Å; I6-T64 HydrophobicContact CG2-CG2 4.48Å
7	V	50.3	Low	53.3	Low	66 Å²	66	81.9 Å²	81.9	40%	0.4	45%	0.447	S	S	.	.	H	α-helix	trans	-61.6	-40.4	174.8	177.9	0	0	0	0	110.6	F3 I10 L11	F3-V7 HydrophobicContact CD1-CG2 4.32Å; F3-V7 PolarHBondContact O-N 3.41Å; V7-I10 PolarHBondContact O-N 3.44Å; V7-L11 HydrophobicContact CG1-CD1 3.79Å; V7-L11 HydrophobicContact CG1-CG 4.3Å; V7-L11 WeakPolarHBondContact O-CB 3.39Å; V7-L11 VanDerWaalsContact O-CG 3.26Å; V7-L11 WeakPolarHBondContact O-CG 3.36Å; V7-L11 PolarHBondContact O-N 3.09Å
8	G	47.9	Very low	54	Low	34 Å²	34	79.4 Å²	79.4	35%	0.351	44%	0.437	S	S	.	.	H	α-helix	trans	-58.6	-46.5	173.6	0	0	0	0	0	113.1	N4 C5 I6 L11 Q12	N4-G8 PolarHBondContact O-N 2.96Å; C5-G8 PolarHBondContact O-N 3.15Å; I6-G8 VanDerWaalsContact C-N 3.28Å; I6-G8 PolarHBondContact O-N 3.03Å; G8-L11 PolarHBondContact O-N 2.96Å; G8-Q12 WeakPolarHBondContact O-CB 3.46Å; G8-Q12 PolarHBondContact O-N 2.94Å
9	S	56.3	Low	54.8	Low	53 Å²	53	82.6 Å²	82.6	37%	0.371	45%	0.446	S	S	.	.	H	α-helix	trans	-65	-41.8	178.3	-179.6	0	0	0	0	112.9	C5 I6 Q12 Q13	C5-S9 PolarHBondContact O-N 3.41Å; I6-S9 PolarHBondContact O-N 3.27Å; S9-Q12 PolarHBondContact O-N 3.43Å; S9-Q13 WeakPolarHBondContact O-CG 3.18Å; S9-Q13 PolarHBondContact O-N 3.26Å
10	I	54.2	Low	55.8	Low	48 Å²	48	80.8 Å²	80.8	25%	0.246	44%	0.435	C	S	.	.	H	α-helix	trans	-65.3	-44.3	176.3	-65.6	168.7	0	0	0	110.6	I6 V7 Q12 Q13 T14 V60	I6-I10 HydrophobicContact CG2-CD1 4.02Å; I6-I10 WeakPolarHBondContact O-CG1 3.36Å; I6-I10 PolarHBondContact O-N 2.95Å; V7-I10 PolarHBondContact O-N 3.44Å; I10-Q12 VanDerWaalsContact C-N 3.33Å; I10-Q12 PolarHBondContact O-N 3.43Å; I10-Q13 PolarHBondContact O-N 3.39Å; I10-T14 HydrophobicContact CG2-CG2 4.2Å; I10-T14 WeakPolarHBondContact O-CG2 3.41Å; I10-T14 PolarHBondContact O-N 3.43Å; I10-T14 PolarHBondContact O-OG1 3.29Å; I10-V60 HydrophobicContact CD1-CB 4.4Å; I10-V60 HydrophobicContact CD1-CG1 3.73Å; I10-V60 HydrophobicContact CG1-CB 4.24Å; I10-V60 HydrophobicContact CG1-CG1 3.74Å; I10-V60 HydrophobicContact CG1-CG2 4.21Å
11	L	54	Low	56.9	Low	106 Å²	106	82.2 Å²	82.2	56%	0.555	44%	0.439	S	S	*	.	H	α-helix	trans	-61.9	-42.6	177.7	-75.8	169.8	0	0	0	111.2	V7 G8 T14 S15	V7-L11 HydrophobicContact CG1-CD1 3.79Å; V7-L11 HydrophobicContact CG1-CG 4.3Å; V7-L11 WeakPolarHBondContact O-CB 3.39Å; V7-L11 VanDerWaalsContact O-CG 3.26Å; V7-L11 WeakPolarHBondContact O-CG 3.36Å; V7-L11 PolarHBondContact O-N 3.09Å; G8-L11 PolarHBondContact O-N 2.96Å; L11-T14 WeakPolarHBondContact CA-OG1 3.47Å; L11-T14 PolarHBondContact O-N 3.33Å; L11-T14 PolarHBondContact O-OG1 2.98Å; L11-S15 PolarHBondContact O-N 2.86Å
12	Q	58.3	Low	58.5	Low	119 Å²	119	75.4 Å²	75.4	56%	0.556	41%	0.408	S	S	*	.	H	α-helix	trans	-61.2	-49.3	176.6	-166.4	170.1	-1.5	0	0	111.3	G8 S9 I10 T14 S15 E16	G8-Q12 WeakPolarHBondContact O-CB 3.46Å; G8-Q12 PolarHBondContact O-N 2.94Å; S9-Q12 PolarHBondContact O-N 3.43Å; I10-Q12 VanDerWaalsContact C-N 3.33Å; I10-Q12 PolarHBondContact O-N 3.43Å; Q12-T14 VanDerWaalsContact C-N 3.32Å; Q12-T14 PolarHBondContact O-N 3.04Å; Q12-S15 PolarHBondContact O-N 2.86Å; Q12-S15 VanDerWaalsContact O-N 3.14Å; Q12-S15 PolarHBondContact O-OG 2.62Å; Q12-E16 WeakPolarHBondContact O-CG 3.33Å; Q12-E16 PolarHBondContact O-N 3.46Å
13	Q	58.6	Low	60.4	Low	61 Å²	61	73.8 Å²	73.8	29%	0.285	40%	0.399	S	S	.	.	H	α-helix	trans	-61.8	-37	175.2	-72.6	179.9	2.1	0	0	112.9	S9 I10 S15 E16 V17	S9-Q13 WeakPolarHBondContact O-CG 3.18Å; S9-Q13 PolarHBondContact O-N 3.26Å; I10-Q13 PolarHBondContact O-N 3.39Å; Q13-S15 VanDerWaalsContact C-N 3.31Å; Q13-S15 PolarHBondContact O-N 3.45Å; Q13-E16 PolarHBondContact O-N 3.4Å; Q13-V17 WeakPolarHBondContact O-CG2 3.41Å; Q13-V17 PolarHBondContact O-N 2.88Å
14	T	60.9	Low	62.4	Low	35 Å²	35	70.4 Å²	70.4	22%	0.215	39%	0.386	C	S	.	.	H	α-helix	trans	-67.5	-34.1	176.8	63.3	0	0	0	0	112.7	I10 L11 Q12 S18 L53	I10-T14 HydrophobicContact CG2-CG2 4.2Å; I10-T14 WeakPolarHBondContact O-CG2 3.41Å; I10-T14 PolarHBondContact O-N 3.43Å; I10-T14 PolarHBondContact O-OG1 3.29Å; L11-T14 WeakPolarHBondContact CA-OG1 3.47Å; L11-T14 PolarHBondContact O-N 3.33Å; L11-T14 PolarHBondContact O-OG1 2.98Å; Q12-T14 VanDerWaalsContact C-N 3.32Å; Q12-T14 PolarHBondContact O-N 3.04Å; T14-S18 PolarHBondContact O-N 3.3Å; T14-L53 HydrophobicContact CG2-CD2 3.85Å
15	S	61.1	Low	64.5	Low	51 Å²	51	63.8 Å²	63.8	36%	0.357	35%	0.35	S	S	.	.	H	α-helix	trans	-69.1	-42.3	174.4	73.8	0	0	0	0	111.2	L11 Q12 Q13 V17 S18 F19	L11-S15 PolarHBondContact O-N 2.86Å; Q12-S15 PolarHBondContact O-N 2.86Å; Q12-S15 VanDerWaalsContact O-N 3.14Å; Q12-S15 PolarHBondContact O-OG 2.62Å; Q13-S15 VanDerWaalsContact C-N 3.31Å; Q13-S15 PolarHBondContact O-N 3.45Å; S15-V17 PolarHBondContact O-N 3.24Å; S15-S18 WeakPolarHBondContact O-CB 3.36Å; S15-S18 PolarHBondContact O-N 2.95Å; S15-S18 PolarHBondContact O-OG 3.33Å; S15-F19 WeakPolarHBondContact O-CD2 3.5Å; S15-F19 PolarHBondContact O-N 3.33Å
16	E	67.5	Low	66.4	Low	105 Å²	105	60.6 Å²	60.6	49%	0.491	33%	0.328	S	S	.	.	H	α-helix	trans	-59	-48.6	178.9	-73.3	172	-170.2	0	0	112	Q12 Q13 S18 F19 M20	Q12-E16 WeakPolarHBondContact O-CG 3.33Å; Q12-E16 PolarHBondContact O-N 3.46Å; Q13-E16 PolarHBondContact O-N 3.4Å; E16-S18 PolarHBondContact O-N 3.35Å; E16-S18 VanDerWaalsContact O-N 3.16Å; E16-F19 PolarHBondContact O-N 2.97Å; E16-M20 WeakPolarHBondContact O-CG 3.35Å; E16-M20 PolarHBondContact O-N 2.95Å; E16-M20 VanDerWaalsContact O-N 3.07Å
17	V	68.9	Low	68.2	Low	4 Å²	4	61.5 Å²	61.5	2%	0.024	33%	0.333	C	S	.	.	H	α-helix	trans	-60.6	-29.1	177.5	177	0	0	0	0	112.6	Q13 S15 F19 M20 K49 L52 L53 L56	Q13-V17 WeakPolarHBondContact O-CG2 3.41Å; Q13-V17 PolarHBondContact O-N 2.88Å; S15-V17 PolarHBondContact O-N 3.24Å; V17-F19 VanDerWaalsContact C-N 3.29Å; V17-F19 PolarHBondContact O-N 3.31Å; V17-M20 HydrophobicContact CG2-SD 4.4Å; V17-K49 HydrophobicContact CG1-CB 4.2Å; V17-K49 HydrophobicContact CG1-CG 4.19Å; V17-K49 VanDerWaalsContact O-CE 3.29Å; V17-K49 WeakPolarHBondContact O-CE 3.3Å; V17-L52 HydrophobicContact CG1-CD2 3.87Å; V17-L52 HydrophobicContact CG1-CG 4.32Å; V17-L52 HydrophobicContact CG2-CD2 3.99Å; V17-L52 HydrophobicContact CG2-CG 4.22Å; V17-L53 HydrophobicContact CB-CD2 3.84Å; V17-L53 HydrophobicContact CB-CG 4.28Å; V17-L53 HydrophobicContact CG1-CD2 4.09Å; V17-L53 HydrophobicContact CG1-CG 3.96Å; V17-L53 HydrophobicContact CG2-CD2 4.02Å; V17-L56 HydrophobicContact CG2-CD1 3.58Å
18	S	65.9	Low	70.1	Confident	37 Å²	37	61.3 Å²	61.3	26%	0.259	33%	0.33	S	S	.	.	H	α-helix	trans	-67	-32.4	178.1	80	0	0	0	0	112.2	T14 S15 E16 K49	T14-S18 PolarHBondContact O-N 3.3Å; S15-S18 WeakPolarHBondContact O-CB 3.36Å; S15-S18 PolarHBondContact O-N 2.95Å; S15-S18 PolarHBondContact O-OG 3.33Å; E16-S18 PolarHBondContact O-N 3.35Å; E16-S18 VanDerWaalsContact O-N 3.16Å; S18-K49 PolarHBondContact O-NZ 2.96Å
19	F	68.4	Low	72	Confident	139 Å²	139	59.7 Å²	59.7	61%	0.61	31%	0.313	S	S	*	.	H	α-helix	trans	-94.1	-17.7	-179.4	-62.2	-69	0	0	0	114.5	S15 E16 V17	S15-F19 WeakPolarHBondContact O-CD2 3.5Å; S15-F19 PolarHBondContact O-N 3.33Å; E16-F19 PolarHBondContact O-N 2.97Å; V17-F19 VanDerWaalsContact C-N 3.29Å; V17-F19 PolarHBondContact O-N 3.31Å
20	M	74.9	Confident	73.5	Confident	47 Å²	47	62.5 Å²	62.5	23%	0.232	32%	0.315	C	S	.	.	S	Bend	trans	-58.4	145.4	177.7	-74.2	178.2	77.4	0	0	113.1	E16 V17 E24 C25 L28 K49	E16-M20 WeakPolarHBondContact O-CG 3.35Å; E16-M20 PolarHBondContact O-N 2.95Å; E16-M20 VanDerWaalsContact O-N 3.07Å; V17-M20 HydrophobicContact CG2-SD 4.4Å; M20-E24 HydrophobicContact CE-CB 3.88Å; M20-C25 WeakPolarHBondContact CB-SG 3.42Å; M20-L28 HydrophobicContact CE-CD2 3.94Å; M20-L28 HydrophobicContact SD-CD2 4.35Å; M20-K49 WeakPolarHBondContact O-CE 3.5Å; M20-K49 PolarHBondContact O-NZ 3.28Å
21	H	79.5	Confident	75.2	Confident	111 Å²	111	65.5 Å²	65.5	51%	0.514	34%	0.336	S	S	.	.			trans	-66.6	144.6	177	-172.1	-96.1	0	0	0	110.3	S23 E24 C25	H21-S23 VanDerWaalsContact C-N 3.26Å; H21-S23 PolarHBondContact ND1-N 3.15Å; H21-S23 PolarHBondContact ND1-OG 3.33Å; H21-S23 PolarHBondContact O-N 3.15Å; H21-S23 VanDerWaalsContact O-N 3.15Å; H21-E24 HydrophobicContact CB-CB 4.48Å; H21-E24 HydrophobicContact CB-CG 4.05Å; H21-E24 PolarHBondContact N-OE2 3.04Å; H21-E24 WeakPolarHBondContact O-CB 3.45Å; H21-E24 PolarHBondContact O-N 3.5Å; H21-E24 VanDerWaalsContact O-N 3.07Å; H21-C25 PolarHBondContact O-N 2.89Å; H21-C25 PolarHBondContact O-SG 2.65Å; H21-C25 VanDerWaalsContact O-SG 3.34Å
22	P	79	Confident	76.8	Confident	43 Å²	43	64.3 Å²	64.3	28%	0.279	33%	0.33	S	S	.	.	H	α-helix	trans	-54	-36.5	-176.7	-31.3	37.3	0	0	0	115.6	Y26 V45	P22-Y26 PolarHBondContact O-N 3.15Å; P22-V45 HydrophobicContact CB-CB 4.45Å; P22-V45 HydrophobicContact CB-CG1 4.01Å; P22-V45 HydrophobicContact CB-CG2 3.73Å; P22-V45 HydrophobicContact CG-CG1 3.85Å; P22-V45 HydrophobicContact CG-CG2 3.89Å
23	S	81.4	Confident	78.2	Confident	56 Å²	56	61.4 Å²	61.4	39%	0.392	32%	0.315	S	S	.	.	H	α-helix	trans	-68	-44.2	177	58.3	0	0	0	0	111.9	H21 C25 Y26 D27	H21-S23 VanDerWaalsContact C-N 3.26Å; H21-S23 PolarHBondContact ND1-N 3.15Å; H21-S23 PolarHBondContact ND1-OG 3.33Å; H21-S23 PolarHBondContact O-N 3.15Å; H21-S23 VanDerWaalsContact O-N 3.15Å; S23-C25 VanDerWaalsContact C-N 3.29Å; S23-C25 PolarHBondContact O-N 3.21Å; S23-Y26 WeakPolarHBondContact O-CB 3.3Å; S23-Y26 PolarHBondContact O-N 2.99Å; S23-D27 PolarHBondContact O-N 3.48Å
24	E	85.8	Confident	79.6	Confident	101 Å²	101	62.2 Å²	62.2	47%	0.472	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-38.9	178.3	-63.3	169.6	178	0	0	111.3	M20 H21 Y26 D27 L28	M20-E24 HydrophobicContact CE-CB 3.88Å; H21-E24 HydrophobicContact CB-CB 4.48Å; H21-E24 HydrophobicContact CB-CG 4.05Å; H21-E24 PolarHBondContact N-OE2 3.04Å; H21-E24 WeakPolarHBondContact O-CB 3.45Å; H21-E24 PolarHBondContact O-N 3.5Å; H21-E24 VanDerWaalsContact O-N 3.07Å; E24-Y26 VanDerWaalsContact C-N 3.28Å; E24-Y26 PolarHBondContact O-N 3.33Å; E24-D27 PolarHBondContact O-N 2.98Å; E24-L28 VanDerWaalsContact O-CB 3.29Å; E24-L28 WeakPolarHBondContact O-CB 3.44Å; E24-L28 PolarHBondContact O-N 3.43Å
25	C	85.5	Confident	80.6	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-39.8	175.3	-64.2	0	0	0	0	111.5	M20 H21 S23 L29 V48 K49 L52	M20-C25 WeakPolarHBondContact CB-SG 3.42Å; H21-C25 PolarHBondContact O-N 2.89Å; H21-C25 PolarHBondContact O-SG 2.65Å; H21-C25 VanDerWaalsContact O-SG 3.34Å; S23-C25 VanDerWaalsContact C-N 3.29Å; S23-C25 PolarHBondContact O-N 3.21Å; C25-L29 VanDerWaalsContact O-CB 3.27Å; C25-L29 WeakPolarHBondContact O-CB 3.33Å; C25-L29 PolarHBondContact O-N 3.24Å; C25-V48 HydrophobicContact CB-CG1 3.87Å; C25-K49 HydrophobicContact CB-CG 4.33Å; C25-L52 HydrophobicContact CB-CD2 4.2Å
26	Y	86.4	Confident	81.6	Confident	8 Å²	8	65 Å²	65	3%	0.031	34%	0.337	C	S	.	.	H	α-helix	trans	-72.4	-43.8	178.7	-173.3	-95.6	0	0	0	111.8	P22 S23 E24 L28 L29 R30 A37 L40 P42 V48	P22-Y26 PolarHBondContact O-N 3.15Å; S23-Y26 WeakPolarHBondContact O-CB 3.3Å; S23-Y26 PolarHBondContact O-N 2.99Å; E24-Y26 VanDerWaalsContact C-N 3.28Å; E24-Y26 PolarHBondContact O-N 3.33Å; Y26-L28 PolarHBondContact O-N 3.24Å; Y26-L29 PolarHBondContact O-N 2.98Å; Y26-R30 WeakPolarHBondContact O-CB 3.35Å; Y26-R30 PolarHBondContact O-N 3.42Å; Y26-A37 HydrophobicContact CE2-CB 4.32Å; Y26-A37 WeakPolarHBondContact CE2-O 3.37Å; Y26-A37 PolarHBondContact OH-O 3.15Å; Y26-L40 VanDerWaalsContact CE2-O 3.32Å; Y26-L40 WeakPolarHBondContact CE2-O 3.39Å; Y26-P42 HydrophobicContact CD1-CB 4.08Å; Y26-P42 HydrophobicContact CD1-CG 3.84Å; Y26-P42 HydrophobicContact CD2-CB 4.01Å; Y26-P42 HydrophobicContact CD2-CG 4Å; Y26-P42 HydrophobicContact CE1-CB 4.45Å; Y26-P42 HydrophobicContact CE1-CG 3.71Å; Y26-P42 HydrophobicContact CE2-CB 4.38Å; Y26-P42 HydrophobicContact CE2-CG 3.88Å; Y26-P42 HydrophobicContact CG-CB 3.84Å; Y26-P42 HydrophobicContact CG-CG 3.97Å; Y26-V48 HydrophobicContact CD2-CG1 4.24Å; Y26-V48 HydrophobicContact CD2-CG2 3.94Å
27	D	88.2	Confident	82.5	Confident	68 Å²	68	60 Å²	60	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-62	-44.1	178	-71.8	-39.2	0	0	0	111	S23 E24 R30 T31	S23-D27 PolarHBondContact O-N 3.48Å; E24-D27 PolarHBondContact O-N 2.98Å; D27-R30 PolarHBondContact O-N 3.4Å; D27-R30 IonicContact OD1-CZ 2.62Å; D27-R30 IonicContact OD1-NH1 3.44Å; D27-R30 IonicContact OD1-NH2 3.56Å; D27-R30 PolarHBondContact OD1-NH2 2.92Å; D27-T31 PolarHBondContact O-N 3.43Å; D27-T31 PolarHBondContact O-OG1 2.91Å; D27-T31 VanDerWaalsContact O-OG1 3.13Å
28	L	88.9	Confident	83	Confident	61 Å²	61	61.4 Å²	61.4	32%	0.319	33%	0.326	S	S	.	.	H	α-helix	trans	-63.9	-43.3	175.3	-176.5	59.3	0	0	0	111.9	M20 E24 Y26 R30 T31 L32 L52	M20-L28 HydrophobicContact CE-CD2 3.94Å; M20-L28 HydrophobicContact SD-CD2 4.35Å; E24-L28 VanDerWaalsContact O-CB 3.29Å; E24-L28 WeakPolarHBondContact O-CB 3.44Å; E24-L28 PolarHBondContact O-N 3.43Å; Y26-L28 PolarHBondContact O-N 3.24Å; L28-R30 VanDerWaalsContact C-N 3.31Å; L28-R30 PolarHBondContact O-N 3.32Å; L28-T31 PolarHBondContact O-N 3.46Å; L28-L32 HydrophobicContact CD1-CD1 4.02Å; L28-L32 HydrophobicContact CD1-CG 4.17Å; L28-L32 HydrophobicContact CG-CD1 4.01Å; L28-L32 WeakPolarHBondContact O-CG 3.26Å; L28-L32 PolarHBondContact O-N 2.99Å; L28-L52 HydrophobicContact CB-CD1 4.38Å; L28-L52 HydrophobicContact CB-CD2 4.5Å; L28-L52 HydrophobicContact CD2-CD1 3.89Å; L28-L52 HydrophobicContact CD2-CD2 4Å; L28-L52 HydrophobicContact CG-CD1 3.83Å; L28-L52 HydrophobicContact CG-CD2 4.47Å
29	L	87.7	Confident	83.7	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.1	-41.3	175	-179.9	63.8	0	0	0	111.4	C25 Y26 L32 K33 V36 A37 L40 V48 A51 V55	C25-L29 VanDerWaalsContact O-CB 3.27Å; C25-L29 WeakPolarHBondContact O-CB 3.33Å; C25-L29 PolarHBondContact O-N 3.24Å; Y26-L29 PolarHBondContact O-N 2.98Å; L29-L32 PolarHBondContact O-N 3.14Å; L29-K33 CarbonylContact O-C 3.56Å; L29-K33 PolarHBondContact O-N 3.35Å; L29-V36 HydrophobicContact CD1-CG1 4.4Å; L29-A37 HydrophobicContact CD2-CB 4.35Å; L29-A37 HydrophobicContact CG-CB 4.04Å; L29-L40 HydrophobicContact CD2-CD1 3.98Å; L29-V48 HydrophobicContact CD2-CG1 4.19Å; L29-A51 HydrophobicContact CD1-CB 4.15Å; L29-A51 HydrophobicContact CD2-CB 3.79Å; L29-V55 HydrophobicContact CD1-CG2 4.03Å
30	R	88.9	Confident	84.3	Confident	112 Å²	112	61 Å²	61	42%	0.423	32%	0.323	S	S	.	.	H	α-helix	trans	-64.3	-39.3	177.2	-175	-179.5	63.4	-161.8	-12.6	111.9	Y26 D27 L28 P34 A37	Y26-R30 WeakPolarHBondContact O-CB 3.35Å; Y26-R30 PolarHBondContact O-N 3.42Å; D27-R30 PolarHBondContact O-N 3.4Å; D27-R30 IonicContact OD1-CZ 2.62Å; D27-R30 IonicContact OD1-NH1 3.44Å; D27-R30 IonicContact OD1-NH2 3.56Å; D27-R30 PolarHBondContact OD1-NH2 2.92Å; L28-R30 VanDerWaalsContact C-N 3.31Å; L28-R30 PolarHBondContact O-N 3.32Å; R30-P34 WeakPolarHBondContact O-CA 3.4Å; R30-A37 HydrophobicContact CB-CB 3.89Å; R30-A37 HydrophobicContact CG-CB 4.39Å
31	T	90	Very high	84.4	Confident	111 Å²	111	61.5 Å²	61.5	68%	0.681	32%	0.324	S	S	*	.	H	α-helix	trans	-67.3	-39.1	176.2	-62.1	0	0	0	0	112.2	D27 L28	D27-T31 PolarHBondContact O-N 3.43Å; D27-T31 PolarHBondContact O-OG1 2.91Å; D27-T31 VanDerWaalsContact O-OG1 3.13Å; L28-T31 PolarHBondContact O-N 3.46Å
32	L	87.9	Confident	84.6	Confident	82 Å²	82	57 Å²	57	43%	0.429	31%	0.305	S	S	.	.	H	α-helix	trans	-82.7	-44	-176.8	-65.4	174.8	0	0	0	113.5	L28 L29 L52 V55 L56	L28-L32 HydrophobicContact CD1-CD1 4.02Å; L28-L32 HydrophobicContact CD1-CG 4.17Å; L28-L32 HydrophobicContact CG-CD1 4.01Å; L28-L32 WeakPolarHBondContact O-CG 3.26Å; L28-L32 PolarHBondContact O-N 2.99Å; L29-L32 PolarHBondContact O-N 3.14Å; L32-L52 HydrophobicContact CD1-CD1 3.95Å; L32-V55 HydrophobicContact CB-CG1 3.94Å; L32-V55 HydrophobicContact CD1-CG1 4.1Å; L32-L56 HydrophobicContact CD1-CD2 4.05Å
33	K	87.8	Confident	84.6	Confident	57 Å²	57	61 Å²	61	25%	0.248	32%	0.324	C	S	.	.			trans	-142.9	83.8	-179.2	-70.8	-152.2	-171.1	177	0	110.9	L29 D35 V36 A37 V55 E58	L29-K33 CarbonylContact O-C 3.56Å; L29-K33 PolarHBondContact O-N 3.35Å; K33-D35 VanDerWaalsContact C-N 3.27Å; K33-D35 VanDerWaalsContact C-OD1 3.28Å; K33-D35 PolarHBondContact O-N 3.48Å; K33-V36 HydrophobicContact CB-CB 4.07Å; K33-V36 HydrophobicContact CB-CG2 4.03Å; K33-V36 HydrophobicContact CD-CG2 3.98Å; K33-V36 PolarHBondContact O-N 2.99Å; K33-A37 PolarHBondContact O-N 2.67Å; K33-V55 HydrophobicContact CB-CG2 4.25Å; K33-V55 HydrophobicContact CD-CG1 4.38Å; K33-V55 HydrophobicContact CD-CG2 3.59Å; K33-V55 HydrophobicContact CG-CG1 4.04Å; K33-V55 HydrophobicContact CG-CG2 3.84Å; K33-E58 IonicContact NZ-OE2 3.56Å; K33-E58 PolarHBondContact NZ-OE2 2.86Å
34	P	86.4	Confident	84.6	Confident	79 Å²	79	61.1 Å²	61.1	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-32.6	-176.1	23.9	-33.5	0	0	0	113.1	R30 A37 A38	R30-P34 WeakPolarHBondContact O-CA 3.4Å; P34-A37 PolarHBondContact O-N 3.29Å; P34-A38 VanDerWaalsContact O-CB 3.29Å; P34-A38 WeakPolarHBondContact O-CB 3.47Å; P34-A38 PolarHBondContact O-N 3.06Å
35	D	82.6	Confident	84.4	Confident	103 Å²	103	58.2 Å²	58.2	55%	0.551	31%	0.309	S	S	*	.	H	α-helix	trans	-60.8	-45.9	174.7	57.9	-40.3	0	0	0	112.6	K33 A38	K33-D35 VanDerWaalsContact C-N 3.27Å; K33-D35 VanDerWaalsContact C-OD1 3.28Å; K33-D35 PolarHBondContact O-N 3.48Å; D35-A38 PolarHBondContact O-N 2.94Å
36	V	83.1	Confident	84.1	Confident	41 Å²	41	66.9 Å²	66.9	25%	0.248	34%	0.342	C	S	.	.	H	α-helix	trans	-70.3	-42.5	175.9	179.5	0	0	0	0	110.8	L29 K33 A38 Q39 A51	L29-V36 HydrophobicContact CD1-CG1 4.4Å; K33-V36 HydrophobicContact CB-CB 4.07Å; K33-V36 HydrophobicContact CB-CG2 4.03Å; K33-V36 HydrophobicContact CD-CG2 3.98Å; K33-V36 PolarHBondContact O-N 2.99Å; V36-A38 VanDerWaalsContact C-N 3.25Å; V36-A38 PolarHBondContact O-N 3.25Å; V36-Q39 PolarHBondContact O-N 2.76Å; V36-A51 HydrophobicContact CG1-CB 3.97Å
37	A	84.8	Confident	83.9	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.008	37%	0.365	C	S	.	.	H	α-helix	trans	-60.8	-35.8	177.1	0	0	0	0	0	112.1	Y26 L29 R30 K33 P34 Q39 L40	Y26-A37 HydrophobicContact CE2-CB 4.32Å; Y26-A37 WeakPolarHBondContact CE2-O 3.37Å; Y26-A37 PolarHBondContact OH-O 3.15Å; L29-A37 HydrophobicContact CD2-CB 4.35Å; L29-A37 HydrophobicContact CG-CB 4.04Å; R30-A37 HydrophobicContact CB-CB 3.89Å; R30-A37 HydrophobicContact CG-CB 4.39Å; K33-A37 PolarHBondContact O-N 2.67Å; P34-A37 PolarHBondContact O-N 3.29Å; A37-Q39 PolarHBondContact O-N 2.89Å; A37-L40 PolarHBondContact O-N 3.03Å; A37-L40 VanDerWaalsContact O-N 3.14Å; A37-L40 VanDerWaalsContact O-O 3.07Å
38	A	81.1	Confident	83.7	Confident	33 Å²	33	69 Å²	69	27%	0.273	35%	0.348	S	S	.	.	H	α-helix	trans	-63.4	-31.5	-179.3	0	0	0	0	0	112.6	P34 D35 V36 L40 F328	P34-A38 VanDerWaalsContact O-CB 3.29Å; P34-A38 WeakPolarHBondContact O-CB 3.47Å; P34-A38 PolarHBondContact O-N 3.06Å; D35-A38 PolarHBondContact O-N 2.94Å; V36-A38 VanDerWaalsContact C-N 3.25Å; V36-A38 PolarHBondContact O-N 3.25Å; A38-L40 VanDerWaalsContact C-N 3.28Å; A38-L40 PolarHBondContact O-N 3.05Å; A38-F328 VanDerWaalsContact CA-CE1 3.44Å; A38-F328 HydrophobicContact CB-CD1 3.95Å; A38-F328 HydrophobicContact CB-CE1 3.65Å; A38-F328 HydrophobicContact CB-CZ 4.28Å; A38-F328 WeakPolarHBondContact O-CE1 3.28Å; A38-F328 WeakPolarHBondContact O-CZ 3.21Å
39	Q	79.2	Confident	83.6	Confident	141 Å²	141	67 Å²	67	66%	0.659	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-10.2	179.6	-61	179.3	18.9	0	0	113.6	V36 A37	V36-Q39 PolarHBondContact O-N 2.76Å; A37-Q39 PolarHBondContact O-N 2.89Å
40	L	80.7	Confident	83.4	Confident	27 Å²	27	73.2 Å²	73.2	14%	0.141	36%	0.364	C	S	.	.	S	Bend	trans	-113.4	134.5	-174.4	-62.1	179.9	0	0	0	111.1	Y26 L29 A37 A38 K47 V48 A51	Y26-L40 VanDerWaalsContact CE2-O 3.32Å; Y26-L40 WeakPolarHBondContact CE2-O 3.39Å; L29-L40 HydrophobicContact CD2-CD1 3.98Å; A37-L40 PolarHBondContact O-N 3.03Å; A37-L40 VanDerWaalsContact O-N 3.14Å; A37-L40 VanDerWaalsContact O-O 3.07Å; A38-L40 VanDerWaalsContact C-N 3.28Å; A38-L40 PolarHBondContact O-N 3.05Å; L40-K47 HydrophobicContact CD1-CB 4.44Å; L40-K47 HydrophobicContact CD2-CB 3.99Å; L40-K47 HydrophobicContact CD2-CD 4.06Å; L40-V48 HydrophobicContact CB-CG2 4.3Å; L40-V48 HydrophobicContact CD1-CG2 4.43Å; L40-A51 HydrophobicContact CD1-CB 3.71Å
41	H	78.7	Confident	83.2	Confident	56 Å²	56	68.6 Å²	68.6	26%	0.259	35%	0.349	S	S	.	.			trans	-74.1	135.3	169.3	-173.8	-71.6	0	0	0	109.4	N43 N44 I339 T341	H41-N43 VanDerWaalsContact C-N 3.28Å; H41-N43 WeakPolarHBondContact ND1-CB 3.14Å; H41-N43 PolarHBondContact ND1-N 3.42Å; H41-N43 PolarHBondContact O-N 2.83Å; H41-N44 VanDerWaalsContact O-CB 3.23Å; H41-N44 WeakPolarHBondContact O-CB 3.35Å; H41-N44 PolarHBondContact O-N 3.3Å; H41-I339 PolarHBondContact NE2-O 2.93Å; H41-T341 HydrophobicContact CB-CG2 4.07Å
42	P	82	Confident	83	Confident	16 Å²	16	63.3 Å²	63.3	10%	0.104	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-41.7	-178.2	-28.6	34.3	0	0	0	114	Y26 N44 I339	Y26-P42 HydrophobicContact CD1-CB 4.08Å; Y26-P42 HydrophobicContact CD1-CG 3.84Å; Y26-P42 HydrophobicContact CD2-CB 4.01Å; Y26-P42 HydrophobicContact CD2-CG 4Å; Y26-P42 HydrophobicContact CE1-CB 4.45Å; Y26-P42 HydrophobicContact CE1-CG 3.71Å; Y26-P42 HydrophobicContact CE2-CB 4.38Å; Y26-P42 HydrophobicContact CE2-CG 3.88Å; Y26-P42 HydrophobicContact CG-CB 3.84Å; Y26-P42 HydrophobicContact CG-CG 3.97Å; P42-N44 PolarHBondContact O-N 2.82Å; P42-N44 VanDerWaalsContact O-N 3.1Å; P42-I339 HydrophobicContact CB-CD1 4.32Å; P42-I339 HydrophobicContact CG-CD1 3.8Å; P42-I339 HydrophobicContact CG-CG2 4.31Å
43	N	79.2	Confident	82.8	Confident	127 Å²	127	61.3 Å²	61.3	68%	0.679	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-2.9	176.8	-58.6	-4.8	0	0	0	114.9	H41 V45	H41-N43 VanDerWaalsContact C-N 3.28Å; H41-N43 WeakPolarHBondContact ND1-CB 3.14Å; H41-N43 PolarHBondContact ND1-N 3.42Å; H41-N43 PolarHBondContact O-N 2.83Å; N43-V45 PolarHBondContact O-N 3.44Å
44	N	81.7	Confident	82.6	Confident	60 Å²	60	61.6 Å²	61.6	32%	0.321	31%	0.311	S	S	.	.			trans	-83.9	59.3	174.3	-157.7	-26	0	0	0	110.7	H41 P42 R46 K47 V48	H41-N44 VanDerWaalsContact O-CB 3.23Å; H41-N44 WeakPolarHBondContact O-CB 3.35Å; H41-N44 PolarHBondContact O-N 3.3Å; P42-N44 PolarHBondContact O-N 2.82Å; P42-N44 VanDerWaalsContact O-N 3.1Å; N44-R46 VanDerWaalsContact C-N 3.26Å; N44-R46 PolarHBondContact O-N 2.94Å; N44-R46 VanDerWaalsContact O-N 3.09Å; N44-K47 HydrophobicContact CB-CB 4.38Å; N44-K47 WeakPolarHBondContact ND2-CD 3.22Å; N44-K47 PolarHBondContact O-N 3.48Å; N44-K47 WeakPolarHBondContact OD1-CG 3.43Å; N44-V48 WeakPolarHBondContact O-CG2 3.5Å; N44-V48 PolarHBondContact O-N 2.89Å
45	V	81.9	Confident	82.5	Confident	40 Å²	40	58.5 Å²	58.5	24%	0.242	29%	0.29	C	S	.	.	H	α-helix	trans	-47	-47.2	-167.8	-172	0	0	0	0	112.3	P22 N43 K47 V48 K49	P22-V45 HydrophobicContact CB-CB 4.45Å; P22-V45 HydrophobicContact CB-CG1 4.01Å; P22-V45 HydrophobicContact CB-CG2 3.73Å; P22-V45 HydrophobicContact CG-CG1 3.85Å; P22-V45 HydrophobicContact CG-CG2 3.89Å; N43-V45 PolarHBondContact O-N 3.44Å; V45-K47 PolarHBondContact O-N 3.32Å; V45-V48 PolarHBondContact O-N 2.97Å; V45-K49 HydrophobicContact CG1-CD 4.14Å; V45-K49 HydrophobicContact CG1-CG 4.36Å; V45-K49 WeakPolarHBondContact O-CB 3.2Å; V45-K49 WeakPolarHBondContact O-CG 3.49Å; V45-K49 PolarHBondContact O-N 3.1Å
46	R	79.9	Confident	82.6	Confident	182 Å²	182	55.1 Å²	55.1	69%	0.687	27%	0.272	S	S	*	.	H	α-helix	trans	-61.8	-43	180	-178.1	175.9	173.8	172.3	-1.2	112.9	N44 K50	N44-R46 VanDerWaalsContact C-N 3.26Å; N44-R46 PolarHBondContact O-N 2.94Å; N44-R46 VanDerWaalsContact O-N 3.09Å; R46-K50 VanDerWaalsContact O-CB 3.29Å; R46-K50 WeakPolarHBondContact O-CB 3.45Å; R46-K50 PolarHBondContact O-N 3.4Å; R46-K50 VanDerWaalsContact O-N 3.1Å
47	K	81.2	Confident	82.5	Confident	119 Å²	119	58.9 Å²	58.9	52%	0.517	28%	0.282	S	S	.	.	H	α-helix	trans	-72.5	-38.5	178.3	-70.2	-166.9	-170.7	179.6	0	111.6	L40 N44 V45 K50 A51	L40-K47 HydrophobicContact CD1-CB 4.44Å; L40-K47 HydrophobicContact CD2-CB 3.99Å; L40-K47 HydrophobicContact CD2-CD 4.06Å; N44-K47 HydrophobicContact CB-CB 4.38Å; N44-K47 WeakPolarHBondContact ND2-CD 3.22Å; N44-K47 PolarHBondContact O-N 3.48Å; N44-K47 WeakPolarHBondContact OD1-CG 3.43Å; V45-K47 PolarHBondContact O-N 3.32Å; K47-K50 PolarHBondContact O-N 2.9Å; K47-A51 WeakPolarHBondContact O-CB 3.43Å; K47-A51 PolarHBondContact O-N 3.38Å
48	V	84.7	Confident	82.2	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-52.4	176.9	174.9	0	0	0	0	110.5	C25 Y26 L29 L40 N44 V45 K50 A51 L52	C25-V48 HydrophobicContact CB-CG1 3.87Å; Y26-V48 HydrophobicContact CD2-CG1 4.24Å; Y26-V48 HydrophobicContact CD2-CG2 3.94Å; L29-V48 HydrophobicContact CD2-CG1 4.19Å; L40-V48 HydrophobicContact CB-CG2 4.3Å; L40-V48 HydrophobicContact CD1-CG2 4.43Å; N44-V48 WeakPolarHBondContact O-CG2 3.5Å; N44-V48 PolarHBondContact O-N 2.89Å; V45-V48 PolarHBondContact O-N 2.97Å; V48-K50 VanDerWaalsContact C-N 3.3Å; V48-K50 PolarHBondContact O-N 3.39Å; V48-A51 PolarHBondContact O-N 2.93Å; V48-L52 WeakPolarHBondContact O-CB 3.42Å; V48-L52 PolarHBondContact O-N 2.91Å
49	K	85.3	Confident	81.8	Confident	19 Å²	19	62.3 Å²	62.3	8%	0.083	30%	0.297	C	S	.	.	H	α-helix	trans	-57.5	-42.9	175.9	-75.4	-171.6	173.6	-174.2	0	111.8	V17 S18 M20 C25 V45 L52 L53 S172	V17-K49 HydrophobicContact CG1-CB 4.2Å; V17-K49 HydrophobicContact CG1-CG 4.19Å; V17-K49 VanDerWaalsContact O-CE 3.29Å; V17-K49 WeakPolarHBondContact O-CE 3.3Å; S18-K49 PolarHBondContact O-NZ 2.96Å; M20-K49 WeakPolarHBondContact O-CE 3.5Å; M20-K49 PolarHBondContact O-NZ 3.28Å; C25-K49 HydrophobicContact CB-CG 4.33Å; V45-K49 HydrophobicContact CG1-CD 4.14Å; V45-K49 HydrophobicContact CG1-CG 4.36Å; V45-K49 WeakPolarHBondContact O-CB 3.2Å; V45-K49 WeakPolarHBondContact O-CG 3.49Å; V45-K49 PolarHBondContact O-N 3.1Å; K49-L52 PolarHBondContact O-N 3.47Å; K49-L53 WeakPolarHBondContact O-CB 3.43Å; K49-L53 VanDerWaalsContact O-CG 3.28Å; K49-L53 WeakPolarHBondContact O-CG 3.49Å; K49-L53 PolarHBondContact O-N 2.62Å; K49-S172 PolarHBondContact NZ-OG 3.24Å
50	K	83.6	Confident	81.1	Confident	132 Å²	132	56.5 Å²	56.5	57%	0.574	27%	0.271	S	S	*	.	H	α-helix	trans	-62.1	-49.3	176.2	-179.7	173.1	178.6	174.9	0	112.1	R46 K47 V48 L52 L53 D54	R46-K50 VanDerWaalsContact O-CB 3.29Å; R46-K50 WeakPolarHBondContact O-CB 3.45Å; R46-K50 PolarHBondContact O-N 3.4Å; R46-K50 VanDerWaalsContact O-N 3.1Å; K47-K50 PolarHBondContact O-N 2.9Å; V48-K50 VanDerWaalsContact C-N 3.3Å; V48-K50 PolarHBondContact O-N 3.39Å; K50-L52 VanDerWaalsContact C-N 3.3Å; K50-L52 PolarHBondContact O-N 2.79Å; K50-L53 PolarHBondContact O-N 2.91Å; K50-D54 VanDerWaalsContact O-CG 3.29Å; K50-D54 PolarHBondContact O-N 2.63Å
51	A	84.9	Confident	80.1	Confident	14 Å²	14	60.6 Å²	60.6	12%	0.116	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-42.2	178.6	0	0	0	0	0	111.3	L29 V36 L40 K47 V48 D54 V55	L29-A51 HydrophobicContact CD1-CB 4.15Å; L29-A51 HydrophobicContact CD2-CB 3.79Å; V36-A51 HydrophobicContact CG1-CB 3.97Å; L40-A51 HydrophobicContact CD1-CB 3.71Å; K47-A51 WeakPolarHBondContact O-CB 3.43Å; K47-A51 PolarHBondContact O-N 3.38Å; V48-A51 PolarHBondContact O-N 2.93Å; A51-D54 PolarHBondContact O-N 2.92Å; A51-V55 VanDerWaalsContact O-CG2 3.29Å; A51-V55 WeakPolarHBondContact O-CG2 3.39Å; A51-V55 PolarHBondContact O-N 3.44Å
52	L	86.5	Confident	79.1	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-45.9	175.1	179.2	60	0	0	0	112	V17 C25 L28 L32 V48 K49 K50 D54 V55 L56	V17-L52 HydrophobicContact CG1-CD2 3.87Å; V17-L52 HydrophobicContact CG1-CG 4.32Å; V17-L52 HydrophobicContact CG2-CD2 3.99Å; V17-L52 HydrophobicContact CG2-CG 4.22Å; C25-L52 HydrophobicContact CB-CD2 4.2Å; L28-L52 HydrophobicContact CB-CD1 4.38Å; L28-L52 HydrophobicContact CB-CD2 4.5Å; L28-L52 HydrophobicContact CD2-CD1 3.89Å; L28-L52 HydrophobicContact CD2-CD2 4Å; L28-L52 HydrophobicContact CG-CD1 3.83Å; L28-L52 HydrophobicContact CG-CD2 4.47Å; L32-L52 HydrophobicContact CD1-CD1 3.95Å; V48-L52 WeakPolarHBondContact O-CB 3.42Å; V48-L52 PolarHBondContact O-N 2.91Å; K49-L52 PolarHBondContact O-N 3.47Å; K50-L52 VanDerWaalsContact C-N 3.3Å; K50-L52 PolarHBondContact O-N 2.79Å; L52-D54 VanDerWaalsContact C-N 3.33Å; L52-D54 PolarHBondContact O-N 3.28Å; L52-V55 PolarHBondContact O-N 3.44Å; L52-L56 HydrophobicContact CD1-CD1 4.23Å; L52-L56 HydrophobicContact CD1-CG 4.21Å; L52-L56 HydrophobicContact CG-CD1 4.13Å; L52-L56 VanDerWaalsContact O-CG 3.31Å; L52-L56 WeakPolarHBondContact O-CG 3.37Å; L52-L56 PolarHBondContact O-N 3.21Å
53	L	83.9	Confident	77.8	Confident	40 Å²	40	68.4 Å²	68.4	21%	0.209	33%	0.328	C	S	.	.	H	α-helix	trans	-60.4	-41.4	175.1	-74.3	170.9	0	0	0	112.4	T14 V17 K49 K50 L56 R57	T14-L53 HydrophobicContact CG2-CD2 3.85Å; V17-L53 HydrophobicContact CB-CD2 3.84Å; V17-L53 HydrophobicContact CB-CG 4.28Å; V17-L53 HydrophobicContact CG1-CD2 4.09Å; V17-L53 HydrophobicContact CG1-CG 3.96Å; V17-L53 HydrophobicContact CG2-CD2 4.02Å; K49-L53 WeakPolarHBondContact O-CB 3.43Å; K49-L53 VanDerWaalsContact O-CG 3.28Å; K49-L53 WeakPolarHBondContact O-CG 3.49Å; K49-L53 PolarHBondContact O-N 2.62Å; K50-L53 PolarHBondContact O-N 2.91Å; L53-L56 PolarHBondContact O-N 3.29Å; L53-R57 WeakPolarHBondContact O-CB 3.33Å; L53-R57 VanDerWaalsContact O-CG 3.25Å; L53-R57 WeakPolarHBondContact O-CG 3.47Å; L53-R57 PolarHBondContact O-N 2.8Å
54	D	83.3	Confident	76.5	Confident	63 Å²	63	64.5 Å²	64.5	34%	0.337	31%	0.309	S	S	.	.	H	α-helix	trans	-63.7	-43.6	177.7	-68.4	-23.7	0	0	0	110.2	K50 A51 L52 R57 E58	K50-D54 VanDerWaalsContact O-CG 3.29Å; K50-D54 PolarHBondContact O-N 2.63Å; A51-D54 PolarHBondContact O-N 2.92Å; L52-D54 VanDerWaalsContact C-N 3.33Å; L52-D54 PolarHBondContact O-N 3.28Å; D54-R57 PolarHBondContact O-N 2.65Å; D54-E58 WeakPolarHBondContact O-CG 3.44Å; D54-E58 PolarHBondContact O-N 3.28Å
55	V	84.9	Confident	74.9	Confident	15 Å²	15	66.9 Å²	66.9	9%	0.091	32%	0.318	C	S	.	.	H	α-helix	trans	-62.3	-45	175.1	171	0	0	0	0	112.5	L29 L32 K33 A51 L52 E58 S59	L29-V55 HydrophobicContact CD1-CG2 4.03Å; L32-V55 HydrophobicContact CB-CG1 3.94Å; L32-V55 HydrophobicContact CD1-CG1 4.1Å; K33-V55 HydrophobicContact CB-CG2 4.25Å; K33-V55 HydrophobicContact CD-CG1 4.38Å; K33-V55 HydrophobicContact CD-CG2 3.59Å; K33-V55 HydrophobicContact CG-CG1 4.04Å; K33-V55 HydrophobicContact CG-CG2 3.84Å; A51-V55 VanDerWaalsContact O-CG2 3.29Å; A51-V55 WeakPolarHBondContact O-CG2 3.39Å; A51-V55 PolarHBondContact O-N 3.44Å; L52-V55 PolarHBondContact O-N 3.44Å; V55-E58 PolarHBondContact O-N 3.43Å; V55-S59 PolarHBondContact O-N 3.48Å; V55-S59 VanDerWaalsContact O-N 3.1Å
56	L	84.6	Confident	73.4	Confident	31 Å²	31	70.2 Å²	70.2	16%	0.162	34%	0.339	C	S	.	.	H	α-helix	trans	-65.5	-40.3	178.9	-68.9	172.7	0	0	0	111.4	V17 L32 L52 L53 E58 S59 V60	V17-L56 HydrophobicContact CG2-CD1 3.58Å; L32-L56 HydrophobicContact CD1-CD2 4.05Å; L52-L56 HydrophobicContact CD1-CD1 4.23Å; L52-L56 HydrophobicContact CD1-CG 4.21Å; L52-L56 HydrophobicContact CG-CD1 4.13Å; L52-L56 VanDerWaalsContact O-CG 3.31Å; L52-L56 WeakPolarHBondContact O-CG 3.37Å; L52-L56 PolarHBondContact O-N 3.21Å; L53-L56 PolarHBondContact O-N 3.29Å; L56-E58 PolarHBondContact O-N 3.31Å; L56-S59 WeakPolarHBondContact O-CB 3.34Å; L56-S59 PolarHBondContact O-N 3.37Å; L56-S59 VanDerWaalsContact O-N 3.17Å; L56-S59 PolarHBondContact O-OG 3.35Å; L56-V60 PolarHBondContact O-N 2.87Å
57	R	80	Confident	71.8	Confident	121 Å²	121	69 Å²	69	46%	0.457	34%	0.341	S	S	.	.	H	α-helix	trans	-62.6	-42.6	176.2	-76.7	171.3	178.1	-178.2	-2	112.4	L53 D54 S59 V60 Q61	L53-R57 WeakPolarHBondContact O-CB 3.33Å; L53-R57 VanDerWaalsContact O-CG 3.25Å; L53-R57 WeakPolarHBondContact O-CG 3.47Å; L53-R57 PolarHBondContact O-N 2.8Å; D54-R57 PolarHBondContact O-N 2.65Å; R57-S59 VanDerWaalsContact C-N 3.28Å; R57-S59 PolarHBondContact O-N 3.44Å; R57-V60 PolarHBondContact O-N 3.39Å; R57-Q61 WeakPolarHBondContact O-CG 3.13Å; R57-Q61 PolarHBondContact O-N 3.21Å; R57-Q61 VanDerWaalsContact O-N 3.08Å
58	E	78.4	Confident	70.2	Confident	58 Å²	58	69.8 Å²	69.8	27%	0.271	35%	0.35	S	S	.	.	H	α-helix	trans	-59.1	-41.7	174	-73.6	170.8	-161.3	0	0	111.1	K33 D54 V55 L56 V60 Q61 T62 V81	K33-E58 IonicContact NZ-OE2 3.56Å; K33-E58 PolarHBondContact NZ-OE2 2.86Å; D54-E58 WeakPolarHBondContact O-CG 3.44Å; D54-E58 PolarHBondContact O-N 3.28Å; V55-E58 PolarHBondContact O-N 3.43Å; L56-E58 PolarHBondContact O-N 3.31Å; E58-V60 VanDerWaalsContact C-N 3.26Å; E58-V60 PolarHBondContact O-N 3.48Å; E58-Q61 PolarHBondContact O-N 3.38Å; E58-T62 WeakPolarHBondContact O-CG2 3.49Å; E58-T62 PolarHBondContact O-N 3.43Å; E58-T62 PolarHBondContact O-OG1 3.16Å; E58-V81 WeakPolarHBondContact OE1-CG2 3.46Å
59	S	73.5	Confident	68.1	Low	47 Å²	47	73.7 Å²	73.7	33%	0.329	37%	0.371	S	S	.	.	H	α-helix	trans	-64.1	-26.7	178.2	81.8	0	0	0	0	114.4	V55 L56 R57 T62 K63	V55-S59 PolarHBondContact O-N 3.48Å; V55-S59 VanDerWaalsContact O-N 3.1Å; L56-S59 WeakPolarHBondContact O-CB 3.34Å; L56-S59 PolarHBondContact O-N 3.37Å; L56-S59 VanDerWaalsContact O-N 3.17Å; L56-S59 PolarHBondContact O-OG 3.35Å; R57-S59 VanDerWaalsContact C-N 3.28Å; R57-S59 PolarHBondContact O-N 3.44Å; S59-T62 PolarHBondContact O-OG1 3.04Å; S59-T62 VanDerWaalsContact O-OG1 3.08Å; S59-K63 WeakPolarHBondContact O-CG 3.37Å
60	V	65.3	Low	66.1	Low	20 Å²	20	81.6 Å²	81.6	12%	0.121	41%	0.408	C	S	.	.	H	α-helix	trans	-82.4	-36.1	176.1	179.6	0	0	0	0	111.1	I6 I10 L56 R57 E58 K63 T64	I6-V60 HydrophobicContact CG2-CG1 4.17Å; I10-V60 HydrophobicContact CD1-CB 4.4Å; I10-V60 HydrophobicContact CD1-CG1 3.73Å; I10-V60 HydrophobicContact CG1-CB 4.24Å; I10-V60 HydrophobicContact CG1-CG1 3.74Å; I10-V60 HydrophobicContact CG1-CG2 4.21Å; L56-V60 PolarHBondContact O-N 2.87Å; R57-V60 PolarHBondContact O-N 3.39Å; E58-V60 VanDerWaalsContact C-N 3.26Å; E58-V60 PolarHBondContact O-N 3.48Å; V60-K63 PolarHBondContact O-N 3.07Å; V60-T64 PolarHBondContact O-N 3.06Å; V60-T64 VanDerWaalsContact O-N 3.17Å; V60-T64 PolarHBondContact O-OG1 3.44Å
61	Q	59.1	Low	64.2	Low	113 Å²	113	85.6 Å²	85.6	53%	0.528	42%	0.421	S	S	.	.	H	α-helix	trans	-66.7	-38.7	175.4	-72.4	-178.8	1.8	0	0	112.1	R57 E58 K63 T64 Q65	R57-Q61 WeakPolarHBondContact O-CG 3.13Å; R57-Q61 PolarHBondContact O-N 3.21Å; R57-Q61 VanDerWaalsContact O-N 3.08Å; E58-Q61 PolarHBondContact O-N 3.38Å; Q61-K63 PolarHBondContact O-N 2.6Å; Q61-T64 WeakPolarHBondContact CA-OG1 3.37Å; Q61-T64 PolarHBondContact O-N 3.43Å; Q61-T64 PolarHBondContact O-OG1 3.46Å; Q61-Q65 WeakPolarHBondContact O-CB 3.04Å; Q61-Q65 WeakPolarHBondContact O-CG 3.37Å; Q61-Q65 PolarHBondContact O-N 2.75Å
62	T	58.3	Low	62	Low	83 Å²	83	90.4 Å²	90.4	51%	0.509	44%	0.444	S	S	.	.	H	α-helix	trans	-65.1	-38.8	176.6	52.3	0	0	0	0	112	E58 S59 Q65 T66	E58-T62 WeakPolarHBondContact O-CG2 3.49Å; E58-T62 PolarHBondContact O-N 3.43Å; E58-T62 PolarHBondContact O-OG1 3.16Å; S59-T62 PolarHBondContact O-OG1 3.04Å; S59-T62 VanDerWaalsContact O-OG1 3.08Å; T62-Q65 PolarHBondContact O-N 2.65Å; T62-T66 PolarHBondContact O-N 2.76Å; T62-T66 PolarHBondContact O-OG1 3.12Å
63	K	53.7	Low	59.5	Low	153 Å²	153	98.7 Å²	98.7	67%	0.665	48%	0.482	S	S	*	.	H	α-helix	trans	-67.1	-31.5	175.4	-72.9	179.1	179.6	-178.8	0	113.9	S59 V60 Q61 T66	S59-K63 WeakPolarHBondContact O-CG 3.37Å; V60-K63 PolarHBondContact O-N 3.07Å; Q61-K63 PolarHBondContact O-N 2.6Å; K63-T66 PolarHBondContact O-OG1 3.23Å
64	T	51.2	Low	56.9	Low	45 Å²	45	104.1 Å²	104.1	28%	0.276	51%	0.512	S	S	.	.	H	α-helix	trans	-83.5	-27	177.2	29.9	0	0	0	0	112.8	I6 V60 Q61	I6-T64 HydrophobicContact CD1-CG2 3.8Å; I6-T64 HydrophobicContact CG2-CG2 4.48Å; V60-T64 PolarHBondContact O-N 3.06Å; V60-T64 VanDerWaalsContact O-N 3.17Å; V60-T64 PolarHBondContact O-OG1 3.44Å; Q61-T64 WeakPolarHBondContact CA-OG1 3.37Å; Q61-T64 PolarHBondContact O-N 3.43Å; Q61-T64 PolarHBondContact O-OG1 3.46Å
65	Q	49.5	Very low	54.6	Low	109 Å²	109	105 Å²	105	51%	0.509	53%	0.527	S	S	.	.	H	α-helix	trans	-75.6	-25	173.9	-78.6	169.1	-0.1	0	0	112.9	Q61 T62 E67 L68 N69	Q61-Q65 WeakPolarHBondContact O-CB 3.04Å; Q61-Q65 WeakPolarHBondContact O-CG 3.37Å; Q61-Q65 PolarHBondContact O-N 2.75Å; T62-Q65 PolarHBondContact O-N 2.65Å; Q65-E67 PolarHBondContact O-N 3.02Å; Q65-L68 PolarHBondContact O-N 3.06Å; Q65-N69 PolarHBondContact O-N 3.4Å; Q65-N69 VanDerWaalsContact O-N 3.12Å
66	T	50.2	Low	52.2	Low	110 Å²	110	111 Å²	111	68%	0.675	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-23.8	174.8	-13.3	0	0	0	0	112.5	T62 K63	T62-T66 PolarHBondContact O-N 2.76Å; T62-T66 PolarHBondContact O-OG1 3.12Å; K63-T66 PolarHBondContact O-OG1 3.23Å
67	E	44.9	Very low	49.6	Very low	158 Å²	158	118.2 Å²	118.2	74%	0.738	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-5.8	177.9	-65.7	-177.3	169.3	0	0	113.9	Q65	Q65-E67 PolarHBondContact O-N 3.02Å
68	L	47.6	Very low	47.5	Very low	135 Å²	135	120.9 Å²	120.9	71%	0.707	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.4	-21.3	-173.5	-99.3	149.4	0	0	0	115	Q65	Q65-L68 PolarHBondContact O-N 3.06Å
69	N	41.5	Very low	45.4	Very low	81 Å²	81	127.2 Å²	127.2	43%	0.433	64%	0.641	S	S	.	*			trans	-123.6	33.1	-169.8	-72.3	-12.4	0	0	0	115	Q65 Y71 I72	Q65-N69 PolarHBondContact O-N 3.4Å; Q65-N69 VanDerWaalsContact O-N 3.12Å; N69-Y71 PolarHBondContact O-N 2.92Å; N69-I72 PolarHBondContact O-N 2.96Å
70	E	42.3	Very low	43.6	Very low	185 Å²	185	132.7 Å²	132.7	86%	0.864	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	6.3	155.9	-97.4	-177.7	164.6	0	0	113.6
71	Y	44.3	Very low	42.1	Very low	216 Å²	216	137 Å²	137	85%	0.847	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118	4.5	180	-87.1	-84	0	0	0	115.6	N69	N69-Y71 PolarHBondContact O-N 2.92Å
72	I	39.6	Very low	41	Very low	115 Å²	115	137.3 Å²	137.3	59%	0.59	69%	0.692	S	S	*	*			trans	-132.6	74.1	175.2	-50.4	178.4	0	0	0	109.6	N69	N69-I72 PolarHBondContact O-N 2.96Å
73	E	32.6	Very low	40.6	Very low	174 Å²	174	138.9 Å²	138.9	81%	0.813	70%	0.698	S	S	*	*			trans	-65.8	131	154.9	-71.9	-175.2	154.7	0	0	108.5
74	N	30.8	Very low	40.3	Very low	155 Å²	155	143.6 Å²	143.6	83%	0.829	71%	0.711	S	S	*	*			trans	79.3	74.3	164.5	-46.4	-49.5	0	0	0	117.8
75	A	34.8	Very low	40.7	Very low	80 Å²	80	142.9 Å²	142.9	66%	0.661	71%	0.708	S	S	*	*	S	Bend	trans	-154.1	110.1	150.4	0	0	0	0	0	112
76	D	33.3	Very low	41.4	Very low	141 Å²	141	141.2 Å²	141.2	75%	0.754	70%	0.702	S	S	*	*			trans	62.8	76.2	156	-56.9	-21.7	0	0	0	119.1	E78	D76-E78 PolarHBondContact O-N 2.81Å
77	L	31.4	Very low	42.4	Very low	184 Å²	184	143.4 Å²	143.4	96%	0.963	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	66.7	151.1	-77.1	161.1	0	0	0	110.9
78	E	35.5	Very low	44	Very low	177 Å²	177	136.8 Å²	136.8	83%	0.827	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.1	21.7	169	-117.1	176.2	-143.3	0	0	114.2	D76 Q80	D76-E78 PolarHBondContact O-N 2.81Å; E78-Q80 PolarHBondContact O-N 3.24Å
79	K	33.9	Very low	45.7	Very low	191 Å²	191	140.3 Å²	140.3	83%	0.83	68%	0.677	S	S	*	*			trans	-79.8	61.1	167	-70.4	176.9	-175	163.7	0	110.7	V81	K79-V81 PolarHBondContact O-N 3.06Å
80	Q	36.7	Very low	47.8	Very low	162 Å²	162	143.5 Å²	143.5	76%	0.757	68%	0.684	S	S	*	*			trans	-56.8	131.6	148.9	-82.9	-173.6	2.4	0	0	106.1	E78 L82	E78-Q80 PolarHBondContact O-N 3.24Å; Q80-L82 PolarHBondContact O-N 2.96Å
81	V	32.7	Very low	49.6	Very low	111 Å²	111	138.6 Å²	138.6	67%	0.673	67%	0.668	S	S	*	*			trans	-64.6	75	179.4	-177.7	0	0	0	0	108.6	E58 K79 N83	E58-V81 WeakPolarHBondContact OE1-CG2 3.46Å; K79-V81 PolarHBondContact O-N 3.06Å; V81-N83 PolarHBondContact O-N 3.16Å
82	L	36.5	Very low	51.4	Low	118 Å²	118	132.5 Å²	132.5	62%	0.618	67%	0.671	S	S	*	*			trans	-63.2	112.4	176.2	-76.5	166.4	0	0	0	105.1	Q80 R84 I86	Q80-L82 PolarHBondContact O-N 2.96Å; L82-R84 PolarHBondContact O-N 3.23Å; L82-I86 HydrophobicContact CB-CD1 4.18Å; L82-I86 HydrophobicContact CD2-CD1 3.58Å; L82-I86 HydrophobicContact CG-CD1 4.48Å
83	N	50.5	Low	53.6	Low	117 Å²	117	129.8 Å²	129.8	63%	0.626	67%	0.672	S	S	*	*			trans	-32.9	119.8	170.7	-95.4	-61.4	0	0	0	108.3	V81 S85 I86	V81-N83 PolarHBondContact O-N 3.16Å; N83-S85 PolarHBondContact O-N 3.14Å; N83-I86 HydrophobicContact CB-CD1 4.43Å; N83-I86 HydrophobicContact CB-CG1 4.37Å; N83-I86 PolarHBondContact O-N 3.05Å
84	R	46.9	Very low	56.3	Low	251 Å²	251	123.5 Å²	123.5	95%	0.947	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.5	-6.5	176.7	-68.1	-173.7	-177.4	-157.2	-0.4	114.6	L82	L82-R84 PolarHBondContact O-N 3.23Å
85	S	59.2	Low	59.3	Low	30 Å²	30	119.2 Å²	119.2	21%	0.21	62%	0.623	C	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	-17.8	178.4	-49.8	0	0	0	0	114.2	N83 R234 R238	N83-S85 PolarHBondContact O-N 3.14Å; S85-R234 PolarHBondContact OG-NH1 2.75Å; S85-R234 PolarHBondContact OG-NH2 3.42Å; S85-R238 PolarHBondContact O-NH1 3.23Å; S85-R238 PolarHBondContact O-NH2 3.03Å
86	I	63.6	Low	62.1	Low	74 Å²	74	117.1 Å²	117.1	38%	0.379	60%	0.601	S	S	.	*	S	Bend	trans	-72.1	-49.2	-168.9	-64.9	168.9	0	0	0	111.5	L82 N83 R238 G242	L82-I86 HydrophobicContact CB-CD1 4.18Å; L82-I86 HydrophobicContact CD2-CD1 3.58Å; L82-I86 HydrophobicContact CG-CD1 4.48Å; N83-I86 HydrophobicContact CB-CD1 4.43Å; N83-I86 HydrophobicContact CB-CG1 4.37Å; N83-I86 PolarHBondContact O-N 3.05Å; I86-R238 PolarHBondContact O-NH1 3.03Å; I86-G242 WeakPolarHBondContact O-CA 3.38Å; I86-G242 VanDerWaalsContact O-O 3.1Å
87	K	71.8	Confident	65.1	Low	157 Å²	157	113.6 Å²	113.6	68%	0.683	58%	0.581	S	S	*	*	S	Bend	trans	-96.7	127.7	177.6	-166	171.4	-178.5	172.7	0	111	P91	K87-P91 HydrophobicContact CG-CG 4.32Å
88	P	79.5	Confident	68.1	Low	18 Å²	18	105.6 Å²	105.6	12%	0.117	54%	0.538	C	S	.	.			trans	-63.3	151.1	173.3	27.8	-34.1	0	0	0	110.2	Y90 P91 G242 I244	P88-Y90 PolarHBondContact O-N 3.13Å; P88-P91 HydrophobicContact CG-CB 4.37Å; P88-P91 HydrophobicContact CG-CG 4.32Å; P88-P91 WeakPolarHBondContact O-CD 3.47Å; P88-G242 WeakPolarHBondContact CD-O 3.47Å; P88-I244 HydrophobicContact CB-CD1 3.95Å; P88-I244 HydrophobicContact CB-CG1 3.93Å; P88-I244 HydrophobicContact CG-CG1 4.31Å
89	R	83.2	Confident	71	Confident	210 Å²	210	101.8 Å²	101.8	79%	0.792	52%	0.524	S	S	*	.	S	Bend	trans	-60.3	-35.7	176.6	-179.6	178.8	-71.7	-169.4	-2.2	112	P91	R89-P91 WeakPolarHBondContact O-CD 3.26Å
90	Y	84.2	Confident	73.9	Confident	147 Å²	147	94 Å²	94	58%	0.576	49%	0.491	S	S	*	.	S	Bend	trans	-121.5	80.5	179.1	-50.5	-69.6	0	0	0	109.6	P88 G92 G93	P88-Y90 PolarHBondContact O-N 3.13Å; Y90-G92 PolarHBondContact O-N 3.09Å; Y90-G93 PolarHBondContact O-N 2.79Å; Y90-G93 VanDerWaalsContact O-N 3.15Å
91	P	81	Confident	76.7	Confident	82 Å²	82	86.8 Å²	86.8	53%	0.532	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	131.5	175.7	-21.4	33.2	0	0	0	110.9	K87 P88 R89 G93	K87-P91 HydrophobicContact CG-CG 4.32Å; P88-P91 HydrophobicContact CG-CB 4.37Å; P88-P91 HydrophobicContact CG-CG 4.32Å; P88-P91 WeakPolarHBondContact O-CD 3.47Å; R89-P91 WeakPolarHBondContact O-CD 3.26Å; P91-G93 PolarHBondContact O-N 3.06Å; P91-G93 VanDerWaalsContact O-N 3.1Å
92	G	82	Confident	79.7	Confident	89 Å²	89	83.2 Å²	83.2	92%	0.918	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	-13.8	-177.4	0	0	0	0	0	115.8	Y90	Y90-G92 PolarHBondContact O-N 3.09Å
93	G	85.9	Confident	82.5	Confident	58 Å²	58	81.4 Å²	81.4	60%	0.598	44%	0.438	S	S	*	.	S	Bend	trans	-107.1	16.6	-179.2	0	0	0	0	0	114.2	Y90 P91	Y90-G93 PolarHBondContact O-N 2.79Å; Y90-G93 VanDerWaalsContact O-N 3.15Å; P91-G93 PolarHBondContact O-N 3.06Å; P91-G93 VanDerWaalsContact O-N 3.1Å
94	S	89.8	Confident	84.7	Confident	42 Å²	42	81 Å²	81	29%	0.294	44%	0.436	S	S	.	.			trans	-134.2	138.8	-179.5	-65.7	0	0	0	0	110.4	I244 P245	S94-I244 WeakPolarHBondContact O-CG2 3.48Å; S94-P245 WeakPolarHBondContact O-CD 3.41Å
95	L	92.1	Very high	87	Confident	64 Å²	64	69.8 Å²	69.8	34%	0.335	40%	0.395	S	S	.	.			trans	-135.2	159.7	170.1	65.4	83.6	0	0	0	109.3	L97 P245 Y247 E278	L95-L97 HydrophobicContact CD1-CD2 3.82Å; L95-L97 HydrophobicContact CD1-CG 3.84Å; L95-P245 HydrophobicContact CB-CG 4.1Å; L95-Y247 HydrophobicContact CB-CD2 4.37Å; L95-Y247 HydrophobicContact CB-CE2 4.05Å; L95-E278 HydrophobicContact CD2-CB 4.17Å; L95-E278 HydrophobicContact CD2-CG 3.83Å
96	I	93.8	Very high	88.8	Confident	37 Å²	37	70.4 Å²	70.4	19%	0.19	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122	177.5	-66.5	166.5	0	0	0	108.6	F235 I244 P245 V246 Y247	I96-F235 HydrophobicContact CD1-CB 4.43Å; I96-F235 HydrophobicContact CD1-CD1 3.46Å; I96-F235 VanDerWaalsContact CD1-CD1 3.46Å; I96-F235 HydrophobicContact CD1-CD2 3.96Å; I96-F235 HydrophobicContact CD1-CE1 3.5Å; I96-F235 HydrophobicContact CD1-CE2 3.97Å; I96-F235 HydrophobicContact CD1-CG 3.7Å; I96-F235 HydrophobicContact CD1-CZ 3.76Å; I96-I244 HydrophobicContact CD1-CB 4.11Å; I96-I244 HydrophobicContact CD1-CD1 4.44Å; I96-I244 HydrophobicContact CD1-CG2 3.87Å; I96-I244 HydrophobicContact CG1-CG2 3.81Å; I96-P245 PolarHBondContact N-O 3.05Å; I96-V246 HydrophobicContact CB-CB 4.49Å; I96-V246 HydrophobicContact CB-CG1 4.42Å; I96-V246 HydrophobicContact CB-CG2 4.15Å; I96-V246 HydrophobicContact CD1-CG2 4.16Å; I96-V246 HydrophobicContact CG2-CG1 4.14Å; I96-V246 HydrophobicContact CG2-CG2 4.46Å; I96-V246 CarbonylContact O-C 3.55Å; I96-V246 WeakPolarHBondContact O-CA 3.33Å; I96-Y247 PolarHBondContact O-N 3.43Å
97	L	95.9	Very high	90.4	Very high	66 Å²	66	68.3 Å²	68.3	35%	0.346	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	115.9	165.5	-57.8	176	0	0	0	108.1	L95 T271 L274 I275	L95-L97 HydrophobicContact CD1-CD2 3.82Å; L95-L97 HydrophobicContact CD1-CG 3.84Å; L97-T271 HydrophobicContact CD1-CG2 3.56Å; L97-T271 HydrophobicContact CD2-CG2 4.49Å; L97-L274 HydrophobicContact CD2-CD2 3.42Å; L97-L274 VanDerWaalsContact CD2-CD2 3.42Å; L97-I275 HydrophobicContact CD1-CD1 4.43Å
98	W	95.9	Very high	91.6	Very high	16 Å²	16	64.2 Å²	64.2	6%	0.061	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	103.9	178	174	18.2	0	0	0	109.6	D100 V228 I231 R232 L236 V246 Y247 R248 I249	W98-D100 HydrophobicContact CD2-CB 4.41Å; W98-D100 HydrophobicContact CZ2-CB 4.06Å; W98-D100 WeakPolarHBondContact CZ2-OD1 3.23Å; W98-D100 PolarHBondContact O-N 3.05Å; W98-V228 HydrophobicContact CZ2-CG1 4.13Å; W98-I231 HydrophobicContact CD2-CG2 3.89Å; W98-I231 HydrophobicContact CE3-CG2 4.03Å; W98-I231 HydrophobicContact CG-CD1 4.34Å; W98-I231 HydrophobicContact CG-CG2 4.26Å; W98-I231 HydrophobicContact CZ3-CG2 4.49Å; W98-R232 HydrophobicContact CH2-CG 4.21Å; W98-L236 HydrophobicContact CZ3-CD1 4.17Å; W98-V246 HydrophobicContact CB-CG1 3.87Å; W98-V246 HydrophobicContact CE3-CG1 4.14Å; W98-Y247 PolarHBondContact N-O 3.34Å; W98-R248 HydrophobicContact CD2-CG 4.42Å; W98-R248 HydrophobicContact CE3-CB 4.3Å; W98-R248 HydrophobicContact CE3-CG 4.18Å; W98-R248 HydrophobicContact CZ3-CG 4.47Å; W98-R248 CarbonylContact O-C 3.59Å; W98-R248 WeakPolarHBondContact O-CA 3.42Å; W98-I249 PolarHBondContact O-N 3.33Å
99	L	95.3	Very high	92.4	Very high	98 Å²	98	66.1 Å²	66.1	51%	0.513	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	106.9	168.4	-54.4	-178	0	0	0	108.8	I249 V251	L99-I249 WeakPolarHBondContact CA-O 3.38Å; L99-I249 HydrophobicContact CD2-CB 3.95Å; L99-I249 HydrophobicContact CD2-CG2 4.14Å; L99-V251 HydrophobicContact CB-CG1 4.06Å; L99-V251 HydrophobicContact CD2-CG1 4.02Å; L99-V251 HydrophobicContact CG-CG1 4.49Å
100	D	95.2	Very high	93	Very high	26 Å²	26	57.2 Å²	57.2	14%	0.139	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	152	179.7	-168.8	34.9	0	0	0	110.6	W98 R248 I249 V251	W98-D100 HydrophobicContact CD2-CB 4.41Å; W98-D100 HydrophobicContact CZ2-CB 4.06Å; W98-D100 WeakPolarHBondContact CZ2-OD1 3.23Å; W98-D100 PolarHBondContact O-N 3.05Å; D100-R248 HydrophobicContact CB-CG 3.57Å; D100-R248 WeakPolarHBondContact OD2-CD 3.41Å; D100-R248 IonicContact OD2-NH1 2.61Å; D100-R248 PolarHBondContact OD2-NH1 3.42Å; D100-R248 VanDerWaalsContact OD2-NH1 3.14Å; D100-I249 PolarHBondContact N-O 2.82Å; D100-V251 WeakPolarHBondContact O-CG2 3.47Å; D100-V251 PolarHBondContact O-N 3.47Å
101	C	95.9	Very high	93.7	Very high	11 Å²	11	52.3 Å²	52.3	7%	0.074	33%	0.332	C	S	.	.			trans	-148.2	140.8	179.6	-179.5	0	0	0	0	110.3	S103 L106 V251 L255	C101-S103 PolarHBondContact O-N 3.16Å; C101-L106 HydrophobicContact CB-CB 4.14Å; C101-V251 HydrophobicContact CB-CG2 3.86Å; C101-L255 HydrophobicContact CB-CD1 4.24Å
102	A	95.9	Very high	94.4	Very high	37 Å²	37	53.9 Å²	53.9	31%	0.306	33%	0.331	S	S	.	.			trans	-51.7	133.9	171	0	0	0	0	0	110.7	D104 V105 L106 T252	A102-D104 VanDerWaalsContact C-N 3.3Å; A102-D104 WeakPolarHBondContact CB-OD1 3.31Å; A102-D104 PolarHBondContact O-N 3.09Å; A102-V105 HydrophobicContact CB-CG2 4.38Å; A102-V105 PolarHBondContact O-N 3.42Å; A102-L106 WeakPolarHBondContact O-CB 3.19Å; A102-L106 PolarHBondContact O-N 3.43Å; A102-T252 HydrophobicContact CB-CG2 3.6Å; A102-T252 PolarHBondContact N-OG1 3.28Å
103	S	95.2	Very high	95.1	Very high	79 Å²	79	56.7 Å²	56.7	55%	0.552	31%	0.314	S	S	*	.	H	α-helix	trans	-64.4	-33.7	-166.7	-69.5	0	0	0	0	113.4	C101 N107	C101-S103 PolarHBondContact O-N 3.16Å; S103-N107 WeakPolarHBondContact O-CB 3.24Å; S103-N107 PolarHBondContact O-N 3.38Å; S103-N107 PolarHBondContact O-ND2 3Å
104	D	95.5	Very high	95.7	Very high	110 Å²	110	54 Å²	54	59%	0.588	29%	0.286	S	S	*	.	H	α-helix	trans	-67.1	-48.3	175.7	54.9	-34.6	0	0	0	112.4	A102 N107 T108	A102-D104 VanDerWaalsContact C-N 3.3Å; A102-D104 WeakPolarHBondContact CB-OD1 3.31Å; A102-D104 PolarHBondContact O-N 3.09Å; D104-N107 PolarHBondContact O-N 2.87Å; D104-T108 PolarHBondContact O-N 3.1Å; D104-T108 VanDerWaalsContact O-N 3.1Å; D104-T108 PolarHBondContact O-OG1 3.05Å
105	V	96.4	Very high	96.1	Very high	14 Å²	14	55.1 Å²	55.1	9%	0.085	29%	0.288	C	S	.	.	H	α-helix	trans	-62.8	-48.2	175	179.1	0	0	0	0	110.3	A102 N107 T108 Q109 T252 L255 D256	A102-V105 HydrophobicContact CB-CG2 4.38Å; A102-V105 PolarHBondContact O-N 3.42Å; V105-N107 PolarHBondContact O-N 3.14Å; V105-T108 WeakPolarHBondContact O-CB 3.49Å; V105-T108 PolarHBondContact O-N 3.42Å; V105-Q109 PolarHBondContact O-N 3.42Å; V105-T252 HydrophobicContact CB-CG2 4.17Å; V105-T252 HydrophobicContact CG1-CG2 4.43Å; V105-T252 HydrophobicContact CG2-CG2 3.78Å; V105-L255 HydrophobicContact CG1-CB 3.77Å; V105-D256 HydrophobicContact CG1-CB 4.13Å; V105-D256 HydrophobicContact CG2-CB 4.46Å
106	L	96.6	Very high	96.3	Very high	43 Å²	43	59.1 Å²	59.1	23%	0.225	30%	0.303	C	S	.	.	H	α-helix	trans	-59.7	-46.5	177.4	-177.5	59.8	0	0	0	111.9	C101 A102 T108 Q109 L110 A224	C101-L106 HydrophobicContact CB-CB 4.14Å; A102-L106 WeakPolarHBondContact O-CB 3.19Å; A102-L106 PolarHBondContact O-N 3.43Å; L106-T108 VanDerWaalsContact C-N 3.26Å; L106-T108 PolarHBondContact O-N 3.09Å; L106-Q109 PolarHBondContact O-N 3.22Å; L106-L110 HydrophobicContact CD1-CD1 4.24Å; L106-L110 HydrophobicContact CD1-CD2 4.36Å; L106-L110 HydrophobicContact CD1-CG 4.04Å; L106-L110 HydrophobicContact CG-CD1 3.9Å; L106-L110 HydrophobicContact CG-CG 4.17Å; L106-L110 WeakPolarHBondContact O-CB 3.35Å; L106-L110 VanDerWaalsContact O-CG 3.22Å; L106-L110 WeakPolarHBondContact O-CG 3.48Å; L106-L110 PolarHBondContact O-N 3.47Å; L106-A224 HydrophobicContact CD2-CB 4.15Å
107	N	97	Very high	96.5	Very high	30 Å²	30	60 Å²	60	16%	0.16	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-37.6	179.7	-73.4	-31.1	0	0	0	111.7	S103 D104 V105 N111 R221	S103-N107 WeakPolarHBondContact O-CB 3.24Å; S103-N107 PolarHBondContact O-N 3.38Å; S103-N107 PolarHBondContact O-ND2 3Å; D104-N107 PolarHBondContact O-N 2.87Å; V105-N107 PolarHBondContact O-N 3.14Å; N107-N111 PolarHBondContact O-N 3.19Å; N107-N111 VanDerWaalsContact O-N 3.1Å; N107-N111 PolarHBondContact O-ND2 3.41Å; N107-N111 PolarHBondContact O-OD1 2.95Å; N107-R221 HydrophobicContact CB-CG 4.31Å; N107-R221 WeakPolarHBondContact OD1-CG 3.49Å
108	T	96.6	Very high	96.6	Very high	72 Å²	72	58.7 Å²	58.7	44%	0.442	30%	0.3	S	S	.	.	H	α-helix	trans	-64.2	-47.9	175.8	-56.9	0	0	0	0	110.5	D104 V105 L106 L110 N111 K112	D104-T108 PolarHBondContact O-N 3.1Å; D104-T108 VanDerWaalsContact O-N 3.1Å; D104-T108 PolarHBondContact O-OG1 3.05Å; V105-T108 WeakPolarHBondContact O-CB 3.49Å; V105-T108 PolarHBondContact O-N 3.42Å; L106-T108 VanDerWaalsContact C-N 3.26Å; L106-T108 PolarHBondContact O-N 3.09Å; T108-L110 PolarHBondContact O-N 2.72Å; T108-N111 WeakPolarHBondContact O-CB 3.37Å; T108-N111 PolarHBondContact O-N 3.45Å; T108-K112 PolarHBondContact O-N 3.32Å
109	Q	95.8	Very high	96.6	Very high	57 Å²	57	64.5 Å²	64.5	27%	0.266	33%	0.333	S	S	.	.	H	α-helix	trans	-66.5	-37.6	178.8	-68.3	-60.6	-13.8	0	0	113.1	V105 L106 N111 K112 R113 L255	V105-Q109 PolarHBondContact O-N 3.42Å; L106-Q109 PolarHBondContact O-N 3.22Å; Q109-N111 VanDerWaalsContact C-N 3.31Å; Q109-N111 PolarHBondContact O-N 2.91Å; Q109-K112 PolarHBondContact O-N 3.12Å; Q109-R113 WeakPolarHBondContact O-CB 3.33Å; Q109-R113 PolarHBondContact O-N 3.26Å; Q109-L255 HydrophobicContact CG-CB 4.11Å; Q109-L255 HydrophobicContact CG-CD2 4.35Å; Q109-L255 PolarHBondContact NE2-O 3.31Å
110	L	97.2	Very high	96.7	Very high	24 Å²	24	64.2 Å²	64.2	13%	0.126	34%	0.339	C	S	.	.	H	α-helix	trans	-61.6	-40.2	173.6	-69.3	173.9	0	0	0	111.4	L106 T108 R113 V114 T220 R221 A224	L106-L110 HydrophobicContact CD1-CD1 4.24Å; L106-L110 HydrophobicContact CD1-CD2 4.36Å; L106-L110 HydrophobicContact CD1-CG 4.04Å; L106-L110 HydrophobicContact CG-CD1 3.9Å; L106-L110 HydrophobicContact CG-CG 4.17Å; L106-L110 WeakPolarHBondContact O-CB 3.35Å; L106-L110 VanDerWaalsContact O-CG 3.22Å; L106-L110 WeakPolarHBondContact O-CG 3.48Å; L106-L110 PolarHBondContact O-N 3.47Å; T108-L110 PolarHBondContact O-N 2.72Å; L110-R113 PolarHBondContact O-N 3.17Å; L110-V114 WeakPolarHBondContact O-CG2 3.48Å; L110-V114 PolarHBondContact O-N 2.77Å; L110-T220 HydrophobicContact CB-CG2 4.15Å; L110-T220 HydrophobicContact CD1-CG2 4.19Å; L110-T220 HydrophobicContact CD2-CG2 3.79Å; L110-T220 HydrophobicContact CG-CG2 4.25Å; L110-R221 HydrophobicContact CD1-CG 4.46Å; L110-A224 HydrophobicContact CD1-CB 3.75Å
111	N	97.6	Very high	96.8	Very high	43 Å²	43	63.8 Å²	63.8	23%	0.23	34%	0.34	C	S	.	.	H	α-helix	trans	-64.8	-45.3	175.4	-66.5	-14.8	0	0	0	111.7	N107 T108 Q109 R113 V114 N115 K217 R221	N107-N111 PolarHBondContact O-N 3.19Å; N107-N111 VanDerWaalsContact O-N 3.1Å; N107-N111 PolarHBondContact O-ND2 3.41Å; N107-N111 PolarHBondContact O-OD1 2.95Å; T108-N111 WeakPolarHBondContact O-CB 3.37Å; T108-N111 PolarHBondContact O-N 3.45Å; Q109-N111 VanDerWaalsContact C-N 3.31Å; Q109-N111 PolarHBondContact O-N 2.91Å; N111-R113 VanDerWaalsContact C-N 3.32Å; N111-R113 PolarHBondContact O-N 3.45Å; N111-V114 PolarHBondContact O-N 2.98Å; N111-N115 PolarHBondContact O-N 3.08Å; N111-K217 HydrophobicContact CB-CD 4.31Å; N111-R221 VanDerWaalsContact CG-NH1 3.34Å; N111-R221 PolarHBondContact ND2-NH1 3.49Å; N111-R221 VanDerWaalsContact ND2-NH1 3.2Å; N111-R221 PolarHBondContact OD1-NH1 2.91Å
112	K	96.9	Very high	96.8	Very high	116 Å²	116	63.9 Å²	63.9	50%	0.504	34%	0.34	S	S	.	.	H	α-helix	trans	-59.2	-42.5	175.3	-71.3	178.8	-179.5	177.3	0	111.4	T108 Q109 V114 N115 K116	T108-K112 PolarHBondContact O-N 3.32Å; Q109-K112 PolarHBondContact O-N 3.12Å; K112-V114 PolarHBondContact O-N 3.22Å; K112-N115 PolarHBondContact O-N 3.28Å; K112-K116 PolarHBondContact O-N 3.22Å
113	R	97.1	Very high	96.8	Very high	147 Å²	147	63.1 Å²	63.1	56%	0.555	33%	0.331	S	S	*	.	H	α-helix	trans	-60.3	-43.1	175.7	-179.3	-178.9	174.5	-104.2	-2.7	112	Q109 L110 N111 K116 M117	Q109-R113 WeakPolarHBondContact O-CB 3.33Å; Q109-R113 PolarHBondContact O-N 3.26Å; L110-R113 PolarHBondContact O-N 3.17Å; N111-R113 VanDerWaalsContact C-N 3.32Å; N111-R113 PolarHBondContact O-N 3.45Å; R113-K116 PolarHBondContact O-N 3.48Å; R113-M117 HydrophobicContact CG-SD 4.26Å; R113-M117 VanDerWaalsContact O-CG 3.26Å; R113-M117 WeakPolarHBondContact O-CG 3.39Å; R113-M117 PolarHBondContact O-N 3.16Å
114	V	97.7	Very high	96.8	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.006	33%	0.332	C	S	.	.	H	α-helix	trans	-64.1	-41.8	177.1	173.4	0	0	0	0	111.3	L110 N111 K112 M117 L118 V216 K217	L110-V114 WeakPolarHBondContact O-CG2 3.48Å; L110-V114 PolarHBondContact O-N 2.77Å; N111-V114 PolarHBondContact O-N 2.98Å; K112-V114 PolarHBondContact O-N 3.22Å; V114-M117 WeakPolarHBondContact O-CB 3.41Å; V114-M117 PolarHBondContact O-N 3.5Å; V114-L118 PolarHBondContact O-N 3.38Å; V114-V216 HydrophobicContact CB-CG1 4.48Å; V114-V216 HydrophobicContact CG1-CB 4.17Å; V114-V216 HydrophobicContact CG1-CG1 3.73Å; V114-V216 HydrophobicContact CG2-CG1 3.83Å; V114-K217 HydrophobicContact CB-CG 3.86Å; V114-K217 HydrophobicContact CG1-CG 3.83Å; V114-K217 HydrophobicContact CG2-CG 4.08Å
115	N	97.9	Very high	96.9	Very high	66 Å²	66	65.6 Å²	65.6	35%	0.353	33%	0.334	S	S	.	.	H	α-helix	trans	-60.4	-48	174	-64.6	-14.5	0	0	0	110.7	N111 K112 M117 L118 D119 K217	N111-N115 PolarHBondContact O-N 3.08Å; K112-N115 PolarHBondContact O-N 3.28Å; N115-M117 VanDerWaalsContact C-N 3.27Å; N115-M117 PolarHBondContact O-N 3.04Å; N115-L118 WeakPolarHBondContact O-CB 3.42Å; N115-L118 PolarHBondContact O-N 3.45Å; N115-D119 VanDerWaalsContact O-CG 3.23Å; N115-D119 PolarHBondContact O-N 3.24Å; N115-K217 WeakPolarHBondContact OD1-CE 3.24Å; N115-K217 PolarHBondContact OD1-NZ 3.22Å
116	K	97.8	Very high	96.8	Very high	148 Å²	148	65.4 Å²	65.4	64%	0.643	33%	0.333	S	S	*	.	H	α-helix	trans	-59.1	-36.8	176	-174.6	175.2	-179.7	176.3	0	112.7	K112 R113 D119 S120	K112-K116 PolarHBondContact O-N 3.22Å; R113-K116 PolarHBondContact O-N 3.48Å; K116-D119 PolarHBondContact O-N 2.66Å; K116-S120 VanDerWaalsContact O-CB 3.3Å; K116-S120 WeakPolarHBondContact O-CB 3.42Å; K116-S120 PolarHBondContact O-N 3.17Å; K116-S120 PolarHBondContact O-OG 3.34Å
117	M	97.2	Very high	96.6	Very high	55 Å²	55	64.3 Å²	64.3	27%	0.271	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-44.2	175	-73.4	167.9	60	0	0	111.3	R113 V114 N115 S120 L122	R113-M117 HydrophobicContact CG-SD 4.26Å; R113-M117 VanDerWaalsContact O-CG 3.26Å; R113-M117 WeakPolarHBondContact O-CG 3.39Å; R113-M117 PolarHBondContact O-N 3.16Å; V114-M117 WeakPolarHBondContact O-CB 3.41Å; V114-M117 PolarHBondContact O-N 3.5Å; N115-M117 VanDerWaalsContact C-N 3.27Å; N115-M117 PolarHBondContact O-N 3.04Å; M117-S120 PolarHBondContact O-N 2.97Å; M117-L122 HydrophobicContact CB-CD2 4.41Å; M117-L122 HydrophobicContact CE-CD1 4.42Å; M117-L122 HydrophobicContact CE-CD2 4.27Å; M117-L122 VanDerWaalsContact O-CB 3.24Å; M117-L122 WeakPolarHBondContact O-CB 3.42Å; M117-L122 PolarHBondContact O-N 3.04Å; M117-L122 VanDerWaalsContact O-N 3.09Å
118	L	97	Very high	96.5	Very high	40 Å²	40	66 Å²	66	21%	0.209	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-50.5	174.3	-74.9	164.8	0	0	0	111.2	V114 N115 S120 G121 L122 V123 F189 A213	V114-L118 PolarHBondContact O-N 3.38Å; N115-L118 WeakPolarHBondContact O-CB 3.42Å; N115-L118 PolarHBondContact O-N 3.45Å; L118-S120 PolarHBondContact O-N 2.92Å; L118-G121 PolarHBondContact O-N 3.2Å; L118-L122 HydrophobicContact CD2-CD2 4.23Å; L118-V123 HydrophobicContact CD2-CG2 4.23Å; L118-F189 HydrophobicContact CD2-CE1 3.87Å; L118-F189 HydrophobicContact CD2-CZ 3.61Å; L118-A213 HydrophobicContact CD1-CB 3.69Å
119	D	97.2	Very high	96.3	Very high	138 Å²	138	65.2 Å²	65.2	74%	0.738	33%	0.329	S	S	*	.	H	α-helix	trans	-62.7	-25.6	179.9	-57.8	-27.2	0	0	0	112.6	N115 K116 G121	N115-D119 VanDerWaalsContact O-CG 3.23Å; N115-D119 PolarHBondContact O-N 3.24Å; K116-D119 PolarHBondContact O-N 2.66Å; D119-G121 VanDerWaalsContact C-N 3.32Å
120	S	97.3	Very high	96	Very high	91 Å²	91	62.7 Å²	62.7	64%	0.636	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	5.6	177.8	-52.8	0	0	0	0	113.9	K116 M117 L118	K116-S120 VanDerWaalsContact O-CB 3.3Å; K116-S120 WeakPolarHBondContact O-CB 3.42Å; K116-S120 PolarHBondContact O-N 3.17Å; K116-S120 PolarHBondContact O-OG 3.34Å; M117-S120 PolarHBondContact O-N 2.97Å; L118-S120 PolarHBondContact O-N 2.92Å
121	G	96.7	Very high	95.6	Very high	17 Å²	17	66.5 Å²	66.5	18%	0.175	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	95	29.9	176.6	0	0	0	0	0	115.4	L118 D119 V123 D124 E125	L118-G121 PolarHBondContact O-N 3.2Å; D119-G121 VanDerWaalsContact C-N 3.32Å; G121-V123 PolarHBondContact O-N 3.07Å; G121-D124 PolarHBondContact O-N 3.15Å; G121-D124 VanDerWaalsContact O-N 3.16Å; G121-E125 PolarHBondContact O-N 3.41Å
122	L	96.6	Very high	95.2	Very high	14 Å²	14	72.5 Å²	72.5	7%	0.073	36%	0.362	C	S	.	.	H	α-helix	trans	-53.3	-42.8	175.5	173.2	63.1	0	0	0	112	M117 L118 D124 E125 L126 F189	M117-L122 HydrophobicContact CB-CD2 4.41Å; M117-L122 HydrophobicContact CE-CD1 4.42Å; M117-L122 HydrophobicContact CE-CD2 4.27Å; M117-L122 VanDerWaalsContact O-CB 3.24Å; M117-L122 WeakPolarHBondContact O-CB 3.42Å; M117-L122 PolarHBondContact O-N 3.04Å; M117-L122 VanDerWaalsContact O-N 3.09Å; L118-L122 HydrophobicContact CD2-CD2 4.23Å; L122-D124 VanDerWaalsContact C-N 3.34Å; L122-D124 PolarHBondContact O-N 2.81Å; L122-E125 WeakPolarHBondContact O-CB 3.39Å; L122-E125 PolarHBondContact O-N 3.24Å; L122-L126 HydrophobicContact CD1-CD1 4.27Å; L122-L126 HydrophobicContact CD1-CG 4.24Å; L122-L126 HydrophobicContact CG-CD1 4.15Å; L122-L126 VanDerWaalsContact O-CG 3.24Å; L122-L126 WeakPolarHBondContact O-CG 3.31Å; L122-L126 PolarHBondContact O-N 2.79Å; L122-L126 VanDerWaalsContact O-N 3.09Å; L122-F189 HydrophobicContact CD2-CE2 3.74Å; L122-F189 HydrophobicContact CD2-CZ 3.8Å; L122-F189 HydrophobicContact CG-CE2 4.5Å
123	V	95.8	Very high	94.8	Very high	20 Å²	20	68.4 Å²	68.4	12%	0.121	35%	0.347	C	S	.	.	H	α-helix	trans	-62.4	-43.1	179.9	173.9	0	0	0	0	111.1	L118 G121 E125 L126 D127 F189 Y192 L209	L118-V123 HydrophobicContact CD2-CG2 4.23Å; G121-V123 PolarHBondContact O-N 3.07Å; V123-E125 VanDerWaalsContact C-N 3.32Å; V123-E125 PolarHBondContact O-N 2.96Å; V123-L126 WeakPolarHBondContact O-CB 3.48Å; V123-L126 PolarHBondContact O-N 2.67Å; V123-L126 VanDerWaalsContact O-N 3.13Å; V123-D127 PolarHBondContact O-N 3.26Å; V123-F189 HydrophobicContact CG2-CE1 4.11Å; V123-Y192 HydrophobicContact CG1-CE1 3.73Å; V123-Y192 HydrophobicContact CG2-CE1 4.28Å; V123-L209 HydrophobicContact CG2-CD1 3.94Å
124	D	95.6	Very high	94.1	Very high	105 Å²	105	68 Å²	68	56%	0.561	36%	0.356	S	S	*	.	H	α-helix	trans	-64.6	-37	179.2	-54.1	-41	0	0	0	111.8	G121 L122 L126 D127 T128	G121-D124 PolarHBondContact O-N 3.15Å; G121-D124 VanDerWaalsContact O-N 3.16Å; L122-D124 VanDerWaalsContact C-N 3.34Å; L122-D124 PolarHBondContact O-N 2.81Å; D124-L126 VanDerWaalsContact C-N 3.35Å; D124-D127 PolarHBondContact O-N 2.86Å; D124-T128 WeakPolarHBondContact O-CB 3.25Å; D124-T128 PolarHBondContact O-N 3.31Å; D124-T128 PolarHBondContact O-OG1 3.06Å
125	E	96.1	Very high	93.2	Very high	136 Å²	136	69.5 Å²	69.5	64%	0.636	37%	0.365	S	S	*	.	H	α-helix	trans	-61.3	-44.3	172.8	-171.6	-173	148.2	0	0	111	G121 L122 V123 T128 F129	G121-E125 PolarHBondContact O-N 3.41Å; L122-E125 WeakPolarHBondContact O-CB 3.39Å; L122-E125 PolarHBondContact O-N 3.24Å; V123-E125 VanDerWaalsContact C-N 3.32Å; V123-E125 PolarHBondContact O-N 2.96Å; E125-T128 PolarHBondContact O-N 3.35Å; E125-F129 WeakPolarHBondContact O-CB 3.41Å; E125-F129 PolarHBondContact O-N 3.32Å
126	L	94.5	Very high	92.3	Very high	11 Å²	11	67.5 Å²	67.5	6%	0.058	35%	0.354	C	S	.	.	H	α-helix	trans	-68.4	-38	179.5	-62.2	172.4	0	0	0	112.4	L122 V123 D124 F129 L130 G185 L186 F189 L193	L122-L126 HydrophobicContact CD1-CD1 4.27Å; L122-L126 HydrophobicContact CD1-CG 4.24Å; L122-L126 HydrophobicContact CG-CD1 4.15Å; L122-L126 VanDerWaalsContact O-CG 3.24Å; L122-L126 WeakPolarHBondContact O-CG 3.31Å; L122-L126 PolarHBondContact O-N 2.79Å; L122-L126 VanDerWaalsContact O-N 3.09Å; V123-L126 WeakPolarHBondContact O-CB 3.48Å; V123-L126 PolarHBondContact O-N 2.67Å; V123-L126 VanDerWaalsContact O-N 3.13Å; D124-L126 VanDerWaalsContact C-N 3.35Å; L126-F129 WeakPolarHBondContact O-CB 3.44Å; L126-F129 PolarHBondContact O-N 3.38Å; L126-L130 WeakPolarHBondContact O-CB 3.47Å; L126-L130 PolarHBondContact O-N 2.66Å; L126-G185 WeakPolarHBondContact CD1-O 3.49Å; L126-L186 HydrophobicContact CD2-CB 4.13Å; L126-L186 HydrophobicContact CD2-CD1 3.68Å; L126-L186 HydrophobicContact CD2-CG 4.49Å; L126-F189 HydrophobicContact CD1-CB 3.98Å; L126-F189 HydrophobicContact CD1-CD1 4.38Å; L126-F189 HydrophobicContact CD1-CD2 3.77Å; L126-F189 HydrophobicContact CD1-CE2 4.23Å; L126-F189 HydrophobicContact CD1-CG 3.82Å; L126-L193 HydrophobicContact CB-CD1 3.86Å; L126-L193 HydrophobicContact CB-CD2 3.93Å; L126-L193 HydrophobicContact CD1-CD1 4.2Å
127	D	93.8	Very high	90.9	Very high	20 Å²	20	64.2 Å²	64.2	11%	0.107	35%	0.347	C	S	.	.	H	α-helix	trans	-63.2	-47.1	171.9	-80.6	-36.2	0	0	0	111.7	V123 D124 F129 L130 N131 R156 R200	V123-D127 PolarHBondContact O-N 3.26Å; D124-D127 PolarHBondContact O-N 2.86Å; D127-F129 PolarHBondContact O-N 3.31Å; D127-L130 PolarHBondContact O-N 2.85Å; D127-L130 VanDerWaalsContact O-N 3.15Å; D127-N131 WeakPolarHBondContact O-CB 3.28Å; D127-N131 VanDerWaalsContact O-CG 3.23Å; D127-N131 PolarHBondContact O-N 2.94Å; D127-N131 PolarHBondContact O-ND2 3.44Å; D127-R156 IonicContact OD1-CZ 3.21Å; D127-R156 IonicContact OD1-NH1 3.65Å; D127-R156 IonicContact OD1-NH2 2.65Å; D127-R156 PolarHBondContact OD1-NH2 3.28Å; D127-R200 IonicContact OD1-CZ 3.86Å; D127-R200 IonicContact OD1-NH1 2.89Å; D127-R200 PolarHBondContact OD1-NH1 3.37Å; D127-R200 IonicContact OD1-NH2 2.62Å; D127-R200 PolarHBondContact OD1-NH2 2.84Å; D127-R200 IonicContact OD2-CZ 3.58Å; D127-R200 IonicContact OD2-NH1 2.79Å; D127-R200 PolarHBondContact OD2-NH1 3.47Å; D127-R200 IonicContact OD2-NH2 3.5Å
128	T	94.1	Very high	89.3	Confident	66 Å²	66	67.5 Å²	67.5	41%	0.405	37%	0.373	S	S	.	.	H	α-helix	trans	-57.7	-41.8	176.4	-61.5	0	0	0	0	110.8	D124 E125 K132	D124-T128 WeakPolarHBondContact O-CB 3.25Å; D124-T128 PolarHBondContact O-N 3.31Å; D124-T128 PolarHBondContact O-OG1 3.06Å; E125-T128 PolarHBondContact O-N 3.35Å; T128-K132 HydrophobicContact CG2-CD 4.09Å; T128-K132 WeakPolarHBondContact O-CB 3.47Å; T128-K132 VanDerWaalsContact O-CG 3.3Å; T128-K132 WeakPolarHBondContact O-CG 3.46Å; T128-K132 PolarHBondContact O-N 3.07Å; T128-K132 VanDerWaalsContact O-N 3.15Å
129	F	92.4	Very high	87.5	Confident	54 Å²	54	76.4 Å²	76.4	24%	0.237	40%	0.404	C	S	.	.	H	α-helix	trans	-62.2	-49	174.9	173.1	-100.9	0	0	0	112	E125 L126 D127 N131 K132 V133 L163 L180 L181 L186	E125-F129 WeakPolarHBondContact O-CB 3.41Å; E125-F129 PolarHBondContact O-N 3.32Å; L126-F129 WeakPolarHBondContact O-CB 3.44Å; L126-F129 PolarHBondContact O-N 3.38Å; D127-F129 PolarHBondContact O-N 3.31Å; F129-N131 VanDerWaalsContact C-N 3.31Å; F129-N131 PolarHBondContact O-N 3.07Å; F129-K132 PolarHBondContact O-N 3.05Å; F129-V133 HydrophobicContact CZ-CB 4.49Å; F129-V133 HydrophobicContact CZ-CG2 4.36Å; F129-V133 WeakPolarHBondContact O-CB 3.4Å; F129-V133 PolarHBondContact O-N 3.2Å; F129-L163 HydrophobicContact CE1-CD1 4.44Å; F129-L180 HydrophobicContact CD2-CD2 4.12Å; F129-L180 HydrophobicContact CE2-CD2 3.58Å; F129-L180 HydrophobicContact CZ-CD2 4.22Å; F129-L181 HydrophobicContact CE1-CD2 4.18Å; F129-L181 HydrophobicContact CZ-CD2 3.89Å; F129-L186 HydrophobicContact CD1-CD1 3.97Å; F129-L186 HydrophobicContact CD1-CD2 4.39Å; F129-L186 HydrophobicContact CE1-CD1 4.12Å; F129-L186 HydrophobicContact CE1-CD2 3.83Å; F129-L186 HydrophobicContact CZ-CD2 4.41Å
130	L	90.5	Very high	85.6	Confident	4 Å²	4	75 Å²	75	2%	0.021	39%	0.391	C	S	.	.	H	α-helix	trans	-66.2	-33.3	-178.1	-168.5	65	0	0	0	112.8	L126 D127 V133 R156 K159 L160 L163	L126-L130 WeakPolarHBondContact O-CB 3.47Å; L126-L130 PolarHBondContact O-N 2.66Å; D127-L130 PolarHBondContact O-N 2.85Å; D127-L130 VanDerWaalsContact O-N 3.15Å; L130-V133 HydrophobicContact CD1-CG1 4.21Å; L130-R156 HydrophobicContact CD2-CG 3.65Å; L130-K159 HydrophobicContact CD1-CB 3.92Å; L130-K159 HydrophobicContact CD1-CD 4.38Å; L130-K159 PolarHBondContact O-NZ 2.95Å; L130-L160 HydrophobicContact CD1-CD2 3.87Å; L130-L160 HydrophobicContact CD1-CG 4.13Å; L130-L160 HydrophobicContact CD2-CD1 4.23Å; L130-L160 HydrophobicContact CD2-CD2 3.98Å; L130-L160 HydrophobicContact CD2-CG 4.02Å; L130-L163 HydrophobicContact CD1-CD1 3.8Å
131	N	88.8	Confident	83.4	Confident	105 Å²	105	74.3 Å²	74.3	56%	0.561	39%	0.387	S	S	*	.	H	α-helix	trans	-70.1	-36.6	176.4	-69.9	-11.4	0	0	0	111.7	D127 F129	D127-N131 WeakPolarHBondContact O-CB 3.28Å; D127-N131 VanDerWaalsContact O-CG 3.23Å; D127-N131 PolarHBondContact O-N 2.94Å; D127-N131 PolarHBondContact O-ND2 3.44Å; F129-N131 VanDerWaalsContact C-N 3.31Å; F129-N131 PolarHBondContact O-N 3.07Å
132	K	89.3	Confident	81.2	Confident	169 Å²	169	82.4 Å²	82.4	74%	0.735	42%	0.42	S	S	*	.	H	α-helix	trans	-80.3	-25.4	179.3	-72.6	176.9	-179.2	176.1	0	114	T128 F129 D134	T128-K132 HydrophobicContact CG2-CD 4.09Å; T128-K132 WeakPolarHBondContact O-CB 3.47Å; T128-K132 VanDerWaalsContact O-CG 3.3Å; T128-K132 WeakPolarHBondContact O-CG 3.46Å; T128-K132 PolarHBondContact O-N 3.07Å; T128-K132 VanDerWaalsContact O-N 3.15Å; F129-K132 PolarHBondContact O-N 3.05Å; K132-D134 PolarHBondContact O-N 2.93Å
133	V	86.5	Confident	78.9	Confident	30 Å²	30	87.7 Å²	87.7	18%	0.182	45%	0.453	C	S	.	.			trans	-77.7	125.1	-176.6	83.1	0	0	0	0	110.6	F129 L130 V135 K159 L163	F129-V133 HydrophobicContact CZ-CB 4.49Å; F129-V133 HydrophobicContact CZ-CG2 4.36Å; F129-V133 WeakPolarHBondContact O-CB 3.4Å; F129-V133 PolarHBondContact O-N 3.2Å; L130-V133 HydrophobicContact CD1-CG1 4.21Å; V133-V135 HydrophobicContact CG1-CG1 4.35Å; V133-V135 HydrophobicContact CG2-CG1 3.69Å; V133-K159 PolarHBondContact O-NZ 3.45Å; V133-L163 HydrophobicContact CG1-CD1 4.18Å; V133-L163 HydrophobicContact CG2-CD2 4.49Å
134	D	83.2	Confident	76.9	Confident	139 Å²	139	94.2 Å²	94.2	74%	0.743	48%	0.482	S	S	*	.			trans	-106.5	93.6	173.9	-168.9	19.5	0	0	0	109.1	K132	K132-D134 PolarHBondContact O-N 2.93Å
135	V	79.7	Confident	74.9	Confident	32 Å²	32	96.8 Å²	96.8	19%	0.194	50%	0.502	C	S	.	.			trans	-111.7	-8.8	-179.7	-65.9	0	0	0	0	113	V133 K159 A162 L163	V133-V135 HydrophobicContact CG1-CG1 4.35Å; V133-V135 HydrophobicContact CG2-CG1 3.69Å; V135-K159 HydrophobicContact CG2-CB 4.06Å; V135-K159 HydrophobicContact CG2-CG 3.99Å; V135-A162 HydrophobicContact CB-CB 4.35Å; V135-A162 HydrophobicContact CG2-CB 3.95Å; V135-L163 HydrophobicContact CG1-CD2 3.64Å; V135-L163 HydrophobicContact CG1-CG 4.27Å; V135-L163 HydrophobicContact CG2-CG 4.33Å
136	L	77.8	Confident	73.2	Confident	23 Å²	23	92.2 Å²	92.2	12%	0.12	49%	0.485	C	S	.	.	S	Bend	trans	-89.2	142	-179.1	-62.9	-178.8	0	0	0	108.9	F140 I155 E158 K159 A162	L136-F140 HydrophobicContact CB-CB 4.3Å; L136-F140 HydrophobicContact CB-CD2 4.18Å; L136-F140 HydrophobicContact CB-CG 4.38Å; L136-F140 HydrophobicContact CD1-CB 4.36Å; L136-F140 HydrophobicContact CD1-CD1 4.15Å; L136-F140 HydrophobicContact CD1-CD2 4.13Å; L136-F140 HydrophobicContact CD1-CE2 4.5Å; L136-F140 HydrophobicContact CD1-CG 3.95Å; L136-F140 HydrophobicContact CD2-CD2 4.39Å; L136-F140 HydrophobicContact CD2-CE2 4.39Å; L136-F140 HydrophobicContact CG-CD2 4.47Å; L136-I155 HydrophobicContact CD1-CG2 3.97Å; L136-E158 HydrophobicContact CD2-CB 4.04Å; L136-K159 HydrophobicContact CD1-CG 3.79Å; L136-K159 HydrophobicContact CD2-CG 4.47Å; L136-K159 HydrophobicContact CG-CG 3.85Å; L136-A162 HydrophobicContact CD2-CB 4.42Å
137	P	69.1	Low	71.7	Confident	79 Å²	79	97.3 Å²	97.3	51%	0.513	51%	0.512	S	S	.	.			trans	-63	153.7	174.3	25.7	-32.4	0	0	0	110.3	R139 F140	P137-R139 PolarHBondContact O-N 3.21Å; P137-F140 PolarHBondContact O-N 3.3Å
138	P	63.4	Low	70.6	Confident	124 Å²	124	100 Å²	100	81%	0.805	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-14.2	-178.3	-25.1	32.2	0	0	0	115.3	F140	P138-F140 PolarHBondContact O-N 3.08Å
139	R	59	Low	69.7	Low	227 Å²	227	99.7 Å²	99.7	86%	0.857	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-2.4	178.6	-63.6	-172.2	-179.7	-173.2	0.1	114.2	P137 S141	P137-R139 PolarHBondContact O-N 3.21Å; R139-S141 PolarHBondContact O-N 2.82Å
140	F	58	Low	69.1	Low	108 Å²	108	100.9 Å²	100.9	47%	0.474	55%	0.545	S	S	.	.			trans	-76.3	56.9	162.2	-104.6	-88.1	0	0	0	109.7	L136 P137 P138 I155 E158	L136-F140 HydrophobicContact CB-CB 4.3Å; L136-F140 HydrophobicContact CB-CD2 4.18Å; L136-F140 HydrophobicContact CB-CG 4.38Å; L136-F140 HydrophobicContact CD1-CB 4.36Å; L136-F140 HydrophobicContact CD1-CD1 4.15Å; L136-F140 HydrophobicContact CD1-CD2 4.13Å; L136-F140 HydrophobicContact CD1-CE2 4.5Å; L136-F140 HydrophobicContact CD1-CG 3.95Å; L136-F140 HydrophobicContact CD2-CD2 4.39Å; L136-F140 HydrophobicContact CD2-CE2 4.39Å; L136-F140 HydrophobicContact CG-CD2 4.47Å; P137-F140 PolarHBondContact O-N 3.3Å; P138-F140 PolarHBondContact O-N 3.08Å; F140-I155 HydrophobicContact CD1-CG1 4.16Å; F140-I155 HydrophobicContact CE1-CG1 4.46Å; F140-E158 HydrophobicContact CE1-CG 4.48Å; F140-E158 HydrophobicContact CZ-CB 4.13Å; F140-E158 HydrophobicContact CZ-CG 3.88Å
141	S	51.7	Low	68.8	Low	77 Å²	77	103.5 Å²	103.5	54%	0.538	56%	0.558	S	S	.	*			trans	-117.2	97	178.7	60	0	0	0	0	108.6	R139 T143	R139-S141 PolarHBondContact O-N 2.82Å; S141-T143 PolarHBondContact O-N 3.1Å; S141-T143 VanDerWaalsContact O-N 3.15Å
142	E	49.9	Very low	68.7	Low	188 Å²	188	103 Å²	103	88%	0.879	55%	0.553	S	S	*	*			trans	28.2	72.9	146.6	-62.3	173.8	-170.2	0	0	116.9
143	T	48.3	Very low	68.7	Low	125 Å²	125	98.2 Å²	98.2	77%	0.767	53%	0.532	S	S	*	.			trans	-136.9	88.9	157.9	51.6	0	0	0	0	108.2	S141	S141-T143 PolarHBondContact O-N 3.1Å; S141-T143 VanDerWaalsContact O-N 3.15Å
144	E	54.4	Low	68.8	Low	157 Å²	157	103.6 Å²	103.6	73%	0.734	55%	0.549	S	S	*	.	S	Bend	trans	179.2	135.8	152.3	-100.4	163.2	-148.4	0	0	110.1	S146	E144-S146 PolarHBondContact O-N 3.44Å
145	T	53.1	Low	69	Low	159 Å²	159	99.7 Å²	99.7	98%	0.975	53%	0.527	S	S	*	.			trans	-71	64.6	-179.1	49.5	0	0	0	0	112
146	S	59.1	Low	69.4	Low	39 Å²	39	98.8 Å²	98.8	27%	0.273	52%	0.52	S	S	.	.			trans	-113.6	148.1	179	-173.8	0	0	0	0	110.2	E144 A148 I151	E144-S146 PolarHBondContact O-N 3.44Å; S146-A148 PolarHBondContact O-N 3.04Å; S146-I151 WeakPolarHBondContact O-CD1 3.23Å
147	D	64.7	Low	70	Confident	119 Å²	119	99.9 Å²	99.9	64%	0.636	53%	0.528	S	S	*	.			trans	-52	132.9	175.8	-68.1	-36.7	0	0	0	110.4	P149 D150 I151	D147-P149 VanDerWaalsContact C-CD 3.4Å; D147-P149 HydrophobicContact CB-CG 4.39Å; D147-D150 PolarHBondContact O-N 3.4Å; D147-I151 PolarHBondContact O-N 3.44Å
148	A	69.9	Low	70.9	Confident	75 Å²	75	98.5 Å²	98.5	62%	0.62	52%	0.515	S	S	*	.	H	α-helix	trans	-46.2	-44.6	-176.8	0	0	0	0	0	115.4	S146 D150 I151 E152	S146-A148 PolarHBondContact O-N 3.04Å; A148-D150 VanDerWaalsContact C-N 3.34Å; A148-D150 PolarHBondContact O-N 3.29Å; A148-I151 PolarHBondContact O-N 3.5Å; A148-E152 PolarHBondContact O-N 3Å; A148-E152 VanDerWaalsContact O-N 3.15Å
149	P	74.3	Confident	72.1	Confident	60 Å²	60	94.1 Å²	94.1	39%	0.39	48%	0.483	S	S	.	.	H	α-helix	trans	-63.4	-36.1	179.1	23.2	-34.8	0	0	0	113.2	D147 I151 E152 K153 L196	D147-P149 VanDerWaalsContact C-CD 3.4Å; D147-P149 HydrophobicContact CB-CG 4.39Å; P149-I151 VanDerWaalsContact C-N 3.3Å; P149-I151 PolarHBondContact O-N 2.9Å; P149-E152 PolarHBondContact O-N 3.28Å; P149-K153 WeakPolarHBondContact O-CB 3.29Å; P149-K153 PolarHBondContact O-N 3.43Å; P149-L196 HydrophobicContact CB-CD1 3.94Å; P149-L196 WeakPolarHBondContact O-CD1 3.45Å
150	D	81.6	Confident	73.4	Confident	80 Å²	80	83.8 Å²	83.8	43%	0.428	45%	0.445	S	S	.	.	H	α-helix	trans	-66	-35.9	179.3	-81.7	-16.4	0	0	0	111.7	D147 A148 R154	D147-D150 PolarHBondContact O-N 3.4Å; A148-D150 VanDerWaalsContact C-N 3.34Å; A148-D150 PolarHBondContact O-N 3.29Å; D150-R154 WeakPolarHBondContact O-CB 3.22Å; D150-R154 WeakPolarHBondContact O-CG 3.19Å; D150-R154 PolarHBondContact O-N 3.28Å; D150-R154 VanDerWaalsContact O-N 3.09Å
151	I	83.7	Confident	74.7	Confident	59 Å²	59	84.2 Å²	84.2	30%	0.303	44%	0.443	S	S	.	.	H	α-helix	trans	-66.8	-48.4	176	-61.5	175.4	0	0	0	110	S146 D147 A148 P149 K153 R154 I155	S146-I151 WeakPolarHBondContact O-CD1 3.23Å; D147-I151 PolarHBondContact O-N 3.44Å; A148-I151 PolarHBondContact O-N 3.5Å; P149-I151 VanDerWaalsContact C-N 3.3Å; P149-I151 PolarHBondContact O-N 2.9Å; I151-K153 PolarHBondContact O-N 2.61Å; I151-R154 PolarHBondContact O-N 2.89Å; I151-I155 HydrophobicContact CG2-CD1 3.85Å; I151-I155 HydrophobicContact CG2-CG1 4.46Å; I151-I155 WeakPolarHBondContact O-CG1 3.44Å; I151-I155 PolarHBondContact O-N 3.29Å
152	E	86.8	Confident	76.2	Confident	95 Å²	95	80.6 Å²	80.6	44%	0.444	42%	0.418	S	S	.	.	H	α-helix	trans	-60.2	-46	-179.6	-171.3	180	166.5	0	0	111.5	A148 P149 R154 I155 R156 L196	A148-E152 PolarHBondContact O-N 3Å; A148-E152 VanDerWaalsContact O-N 3.15Å; P149-E152 PolarHBondContact O-N 3.28Å; E152-R154 VanDerWaalsContact C-N 3.35Å; E152-R154 PolarHBondContact O-N 2.95Å; E152-I155 PolarHBondContact O-N 3.41Å; E152-R156 WeakPolarHBondContact O-CB 2.94Å; E152-R156 PolarHBondContact O-N 3.44Å; E152-L196 HydrophobicContact CB-CD2 3.96Å; E152-L196 HydrophobicContact CG-CD2 3.63Å
153	K	88.4	Confident	77.8	Confident	67 Å²	67	71.8 Å²	71.8	29%	0.291	38%	0.377	S	S	.	.	H	α-helix	trans	-60.4	-44.1	177.8	-171.9	172.5	-178.7	170.9	0	111.6	P149 I151 R156 V157 L196 E199	P149-K153 WeakPolarHBondContact O-CB 3.29Å; P149-K153 PolarHBondContact O-N 3.43Å; I151-K153 PolarHBondContact O-N 2.61Å; K153-R156 PolarHBondContact O-N 2.87Å; K153-V157 VanDerWaalsContact O-CG2 3.3Å; K153-V157 WeakPolarHBondContact O-CG2 3.11Å; K153-V157 PolarHBondContact O-N 2.92Å; K153-L196 HydrophobicContact CB-CD1 4.05Å; K153-L196 HydrophobicContact CB-CD2 4.19Å; K153-L196 HydrophobicContact CB-CG 3.93Å; K153-L196 HydrophobicContact CG-CG 4.37Å; K153-E199 WeakPolarHBondContact CE-OE2 3.45Å; K153-E199 VanDerWaalsContact NZ-CD 3.33Å; K153-E199 IonicContact NZ-OE1 2.94Å; K153-E199 PolarHBondContact NZ-OE1 3.03Å; K153-E199 IonicContact NZ-OE2 2.72Å; K153-E199 PolarHBondContact NZ-OE2 2.94Å
154	R	88.1	Confident	79.4	Confident	144 Å²	144	67.3 Å²	67.3	54%	0.543	35%	0.347	S	S	.	.	H	α-helix	trans	-60.4	-48.2	175.7	-75.8	173.2	-173.9	-166.7	6.4	111.6	D150 I151 E152 R156 V157 E158	D150-R154 WeakPolarHBondContact O-CB 3.22Å; D150-R154 WeakPolarHBondContact O-CG 3.19Å; D150-R154 PolarHBondContact O-N 3.28Å; D150-R154 VanDerWaalsContact O-N 3.09Å; I151-R154 PolarHBondContact O-N 2.89Å; E152-R154 VanDerWaalsContact C-N 3.35Å; E152-R154 PolarHBondContact O-N 2.95Å; R154-R156 VanDerWaalsContact C-N 3.27Å; R154-R156 PolarHBondContact O-N 3.44Å; R154-V157 PolarHBondContact O-N 2.87Å; R154-E158 WeakPolarHBondContact O-CG 3.06Å; R154-E158 PolarHBondContact O-N 3.21Å
155	I	87.4	Confident	80.1	Confident	57 Å²	57	63 Å²	63	29%	0.292	34%	0.339	S	S	.	.	H	α-helix	trans	-56.5	-45.3	177.2	-70.8	169	0	0	0	110.4	L136 F140 I151 E152 E158 K159	L136-I155 HydrophobicContact CD1-CG2 3.97Å; F140-I155 HydrophobicContact CD1-CG1 4.16Å; F140-I155 HydrophobicContact CE1-CG1 4.46Å; I151-I155 HydrophobicContact CG2-CD1 3.85Å; I151-I155 HydrophobicContact CG2-CG1 4.46Å; I151-I155 WeakPolarHBondContact O-CG1 3.44Å; I151-I155 PolarHBondContact O-N 3.29Å; E152-I155 PolarHBondContact O-N 3.41Å; I155-E158 PolarHBondContact O-N 2.86Å; I155-K159 HydrophobicContact CG2-CD 4.48Å; I155-K159 WeakPolarHBondContact O-CG 3.35Å; I155-K159 PolarHBondContact O-N 2.85Å
156	R	89.8	Confident	80.4	Confident	12 Å²	12	59.4 Å²	59.4	5%	0.045	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-46.2	-178.8	-164.3	167.4	173	83.6	25	112.4	D127 L130 E152 K153 R154 K159 L160 L193 L195	D127-R156 IonicContact OD1-CZ 3.21Å; D127-R156 IonicContact OD1-NH1 3.65Å; D127-R156 IonicContact OD1-NH2 2.65Å; D127-R156 PolarHBondContact OD1-NH2 3.28Å; L130-R156 HydrophobicContact CD2-CG 3.65Å; E152-R156 WeakPolarHBondContact O-CB 2.94Å; E152-R156 PolarHBondContact O-N 3.44Å; K153-R156 PolarHBondContact O-N 2.87Å; R154-R156 VanDerWaalsContact C-N 3.27Å; R154-R156 PolarHBondContact O-N 3.44Å; R156-K159 PolarHBondContact O-N 3.35Å; R156-L160 WeakPolarHBondContact O-CG 3.5Å; R156-L160 PolarHBondContact O-N 2.89Å; R156-L160 VanDerWaalsContact O-N 3.1Å; R156-L193 PolarHBondContact NE-O 3.4Å; R156-L193 PolarHBondContact NH2-O 3.38Å; R156-L195 PolarHBondContact NE-O 3.07Å
157	V	89.3	Confident	80	Confident	47 Å²	47	64.1 Å²	64.1	29%	0.285	33%	0.328	S	S	.	.	H	α-helix	trans	-60.3	-45	174.5	170.8	0	0	0	0	111.2	K153 R154 L160 R161 A194	K153-V157 VanDerWaalsContact O-CG2 3.3Å; K153-V157 WeakPolarHBondContact O-CG2 3.11Å; K153-V157 PolarHBondContact O-N 2.92Å; R154-V157 PolarHBondContact O-N 2.87Å; V157-L160 PolarHBondContact O-N 3.09Å; V157-R161 WeakPolarHBondContact O-CB 3.47Å; V157-R161 PolarHBondContact O-N 2.84Å; V157-A194 HydrophobicContact CG2-CB 4.02Å
158	E	87.5	Confident	79.2	Confident	50 Å²	50	62.5 Å²	62.5	23%	0.234	32%	0.316	C	S	.	.	H	α-helix	trans	-68.7	-37.2	-179.8	-67.5	-61.8	166	0	0	112.3	L136 F140 R154 I155 L160 R161 A162	L136-E158 HydrophobicContact CD2-CB 4.04Å; F140-E158 HydrophobicContact CE1-CG 4.48Å; F140-E158 HydrophobicContact CZ-CB 4.13Å; F140-E158 HydrophobicContact CZ-CG 3.88Å; R154-E158 WeakPolarHBondContact O-CG 3.06Å; R154-E158 PolarHBondContact O-N 3.21Å; I155-E158 PolarHBondContact O-N 2.86Å; E158-L160 VanDerWaalsContact C-N 3.33Å; E158-L160 PolarHBondContact O-N 3.1Å; E158-R161 PolarHBondContact O-N 3.35Å; E158-R161 IonicContact OE1-CZ 2.86Å; E158-R161 IonicContact OE1-NH1 3.96Å; E158-R161 PolarHBondContact OE1-NH1 2.72Å; E158-R161 IonicContact OE2-CZ 2.75Å; E158-R161 IonicContact OE2-NE 3.46Å; E158-R161 IonicContact OE2-NH1 3.96Å; E158-R161 PolarHBondContact OE2-NH1 3.43Å; E158-A162 WeakPolarHBondContact O-CB 3.3Å; E158-A162 PolarHBondContact O-N 3.42Å
159	K	88.2	Confident	78.1	Confident	32 Å²	32	67.8 Å²	67.8	14%	0.139	33%	0.327	C	S	.	.	H	α-helix	trans	-56.4	-48.7	170.4	-77.8	-173	176.8	-162	0	110.9	L130 V133 V135 L136 I155 R156 R161 A162 L163	L130-K159 HydrophobicContact CD1-CB 3.92Å; L130-K159 HydrophobicContact CD1-CD 4.38Å; L130-K159 PolarHBondContact O-NZ 2.95Å; V133-K159 PolarHBondContact O-NZ 3.45Å; V135-K159 HydrophobicContact CG2-CB 4.06Å; V135-K159 HydrophobicContact CG2-CG 3.99Å; L136-K159 HydrophobicContact CD1-CG 3.79Å; L136-K159 HydrophobicContact CD2-CG 4.47Å; L136-K159 HydrophobicContact CG-CG 3.85Å; I155-K159 HydrophobicContact CG2-CD 4.48Å; I155-K159 WeakPolarHBondContact O-CG 3.35Å; I155-K159 PolarHBondContact O-N 2.85Å; R156-K159 PolarHBondContact O-N 3.35Å; K159-R161 PolarHBondContact O-N 3.27Å; K159-A162 PolarHBondContact O-N 3.34Å; K159-L163 WeakPolarHBondContact O-CB 3.49Å; K159-L163 WeakPolarHBondContact O-CG 3.34Å; K159-L163 PolarHBondContact O-N 2.95Å
160	L	88.2	Confident	76.6	Confident	10 Å²	10	68.2 Å²	68.2	5%	0.052	33%	0.332	C	S	.	.	H	α-helix	trans	-64.7	-39.5	179.6	-67.8	163.6	0	0	0	112	L130 R156 V157 E158 L163 F164 S190 L193 A194	L130-L160 HydrophobicContact CD1-CD2 3.87Å; L130-L160 HydrophobicContact CD1-CG 4.13Å; L130-L160 HydrophobicContact CD2-CD1 4.23Å; L130-L160 HydrophobicContact CD2-CD2 3.98Å; L130-L160 HydrophobicContact CD2-CG 4.02Å; R156-L160 WeakPolarHBondContact O-CG 3.5Å; R156-L160 PolarHBondContact O-N 2.89Å; R156-L160 VanDerWaalsContact O-N 3.1Å; V157-L160 PolarHBondContact O-N 3.09Å; E158-L160 VanDerWaalsContact C-N 3.33Å; E158-L160 PolarHBondContact O-N 3.1Å; L160-L163 PolarHBondContact O-N 3.15Å; L160-F164 HydrophobicContact CB-CD2 4.49Å; L160-F164 HydrophobicContact CD2-CD2 4.43Å; L160-F164 HydrophobicContact CD2-CE2 3.72Å; L160-F164 WeakPolarHBondContact O-CD2 3.24Å; L160-F164 PolarHBondContact O-N 3.01Å; L160-S190 WeakPolarHBondContact CD1-O 3.34Å; L160-L193 HydrophobicContact CD1-CB 4.1Å; L160-L193 HydrophobicContact CD2-CB 4.21Å; L160-A194 HydrophobicContact CD1-CB 3.88Å
161	R	84.9	Confident	75.1	Confident	117 Å²	117	67.2 Å²	67.2	44%	0.442	33%	0.329	S	S	.	.	H	α-helix	trans	-63.6	-44.1	174.4	-170.7	-175.3	-70.4	149.8	-1	111.6	V157 E158 K159 L163 F164 A165 Q166	V157-R161 WeakPolarHBondContact O-CB 3.47Å; V157-R161 PolarHBondContact O-N 2.84Å; E158-R161 PolarHBondContact O-N 3.35Å; E158-R161 IonicContact OE1-CZ 2.86Å; E158-R161 IonicContact OE1-NH1 3.96Å; E158-R161 PolarHBondContact OE1-NH1 2.72Å; E158-R161 IonicContact OE2-CZ 2.75Å; E158-R161 IonicContact OE2-NE 3.46Å; E158-R161 IonicContact OE2-NH1 3.96Å; E158-R161 PolarHBondContact OE2-NH1 3.43Å; K159-R161 PolarHBondContact O-N 3.27Å; R161-L163 VanDerWaalsContact C-N 3.29Å; R161-L163 PolarHBondContact O-N 3.03Å; R161-F164 PolarHBondContact O-N 3.49Å; R161-A165 HydrophobicContact CG-CB 3.83Å; R161-A165 WeakPolarHBondContact O-CA 3.29Å; R161-A165 WeakPolarHBondContact O-CB 3.49Å; R161-A165 PolarHBondContact O-N 3.38Å; R161-Q166 PolarHBondContact O-N 2.94Å
162	A	82.7	Confident	73.6	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-39.4	175.7	0	0	0	0	0	111.6	V135 L136 E158 K159	V135-A162 HydrophobicContact CB-CB 4.35Å; V135-A162 HydrophobicContact CG2-CB 3.95Å; L136-A162 HydrophobicContact CD2-CB 4.42Å; E158-A162 WeakPolarHBondContact O-CB 3.3Å; E158-A162 PolarHBondContact O-N 3.42Å; K159-A162 PolarHBondContact O-N 3.34Å
163	L	83.9	Confident	72.2	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-69.1	-41.2	178.1	-71.1	169.2	0	0	0	113.6	F129 L130 V133 V135 K159 L160 R161 M175 C176 L181	F129-L163 HydrophobicContact CE1-CD1 4.44Å; L130-L163 HydrophobicContact CD1-CD1 3.8Å; V133-L163 HydrophobicContact CG1-CD1 4.18Å; V133-L163 HydrophobicContact CG2-CD2 4.49Å; V135-L163 HydrophobicContact CG1-CD2 3.64Å; V135-L163 HydrophobicContact CG1-CG 4.27Å; V135-L163 HydrophobicContact CG2-CG 4.33Å; K159-L163 WeakPolarHBondContact O-CB 3.49Å; K159-L163 WeakPolarHBondContact O-CG 3.34Å; K159-L163 PolarHBondContact O-N 2.95Å; L160-L163 PolarHBondContact O-N 3.15Å; R161-L163 VanDerWaalsContact C-N 3.29Å; R161-L163 PolarHBondContact O-N 3.03Å; L163-M175 WeakPolarHBondContact O-CB 3.33Å; L163-C176 PolarHBondContact O-N 3.07Å; L163-L181 HydrophobicContact CD2-CD1 3.83Å; L163-L181 HydrophobicContact CD2-CD2 3.89Å
164	F	81.3	Confident	70.8	Confident	31 Å²	31	61.6 Å²	61.6	14%	0.136	31%	0.312	C	S	.	.	H	α-helix	trans	-113.8	-30.2	-167.4	-55	-55.2	0	0	0	116.3	L160 R161 C176 L186 K187	L160-F164 HydrophobicContact CB-CD2 4.49Å; L160-F164 HydrophobicContact CD2-CD2 4.43Å; L160-F164 HydrophobicContact CD2-CE2 3.72Å; L160-F164 WeakPolarHBondContact O-CD2 3.24Å; L160-F164 PolarHBondContact O-N 3.01Å; R161-F164 PolarHBondContact O-N 3.49Å; F164-C176 HydrophobicContact CD1-CB 3.93Å; F164-L186 HydrophobicContact CE1-CD2 4.02Å; F164-L186 HydrophobicContact CE1-CG 4.01Å; F164-L186 HydrophobicContact CZ-CD1 4.06Å; F164-L186 HydrophobicContact CZ-CD2 3.89Å; F164-L186 HydrophobicContact CZ-CG 3.58Å; F164-K187 HydrophobicContact CD1-CB 3.87Å; F164-K187 HydrophobicContact CE1-CB 3.87Å; F164-K187 HydrophobicContact CG-CB 4.41Å; F164-K187 HydrophobicContact CZ-CB 4.4Å
165	A	69.9	Low	69.4	Low	68 Å²	68	57.1 Å²	57.1	56%	0.562	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-28.2	-171.4	0	0	0	0	0	113.5	R161 E167	R161-A165 HydrophobicContact CG-CB 3.83Å; R161-A165 WeakPolarHBondContact O-CA 3.29Å; R161-A165 WeakPolarHBondContact O-CB 3.49Å; R161-A165 PolarHBondContact O-N 3.38Å; A165-E167 PolarHBondContact O-N 3.38Å; A165-E167 VanDerWaalsContact O-N 3.12Å
166	Q	58.4	Low	68	Low	83 Å²	83	55.8 Å²	55.8	39%	0.388	29%	0.293	S	S	.	.			trans	-72.7	109	178.1	-73.2	-177.1	-1.4	0	0	110.5	R161 F168	R161-Q166 PolarHBondContact O-N 2.94Å; Q166-F168 VanDerWaalsContact C-N 3.31Å; Q166-F168 HydrophobicContact CB-CD2 4.33Å; Q166-F168 HydrophobicContact CB-CE2 4.3Å; Q166-F168 PolarHBondContact O-N 3.03Å
167	E	51.3	Low	66.8	Low	137 Å²	137	61.8 Å²	61.8	64%	0.64	32%	0.315	S	S	*	.			trans	-66.4	95.4	155.6	-71	-174.1	167.5	0	0	106.9	A165 E169 P174	A165-E167 PolarHBondContact O-N 3.38Å; A165-E167 VanDerWaalsContact O-N 3.12Å; E167-E169 PolarHBondContact O-N 3.29Å; E167-P174 HydrophobicContact CG-CB 4.38Å; E167-P174 HydrophobicContact CG-CG 3.89Å
168	F	48.6	Very low	66.1	Low	86 Å²	86	64 Å²	64	38%	0.377	32%	0.318	S	S	.	.			trans	-58.9	115.3	167.2	-88.5	-98.1	0	0	0	107.7	Q166 S170 V171 M175	Q166-F168 VanDerWaalsContact C-N 3.31Å; Q166-F168 HydrophobicContact CB-CD2 4.33Å; Q166-F168 HydrophobicContact CB-CE2 4.3Å; Q166-F168 PolarHBondContact O-N 3.03Å; F168-S170 PolarHBondContact O-N 2.99Å; F168-V171 PolarHBondContact O-N 3.37Å; F168-V171 VanDerWaalsContact O-N 3.15Å; F168-M175 HydrophobicContact CD2-CG 3.63Å; F168-M175 HydrophobicContact CD2-SD 3.35Å; F168-M175 WeakPolarHBondContact CD2-SD 3.29Å; F168-M175 HydrophobicContact CE2-CG 4.08Å; F168-M175 HydrophobicContact CE2-SD 3.14Å; F168-M175 WeakPolarHBondContact CE2-SD 3.29Å; F168-M175 HydrophobicContact CG-SD 4.4Å; F168-M175 HydrophobicContact CZ-SD 4.06Å
169	E	45.2	Very low	65.9	Low	185 Å²	185	64.5 Å²	64.5	86%	0.864	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-23.6	-176.9	-69.9	176.8	161.7	0	0	113.3	E167 V171	E167-E169 PolarHBondContact O-N 3.29Å; E169-V171 VanDerWaalsContact C-N 3.29Å; E169-V171 PolarHBondContact O-N 2.95Å
170	S	43.4	Very low	65.8	Low	69 Å²	69	68.3 Å²	68.3	48%	0.483	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.4	-178	60.2	0	0	0	0	115.1	F168	F168-S170 PolarHBondContact O-N 2.99Å
171	V	49.5	Very low	65.7	Low	60 Å²	60	68.6 Å²	68.6	36%	0.364	36%	0.36	S	S	.	.	S	Bend	trans	-155.6	116	178.3	176.5	0	0	0	0	107.2	F168 E169 D173 R178	F168-V171 PolarHBondContact O-N 3.37Å; F168-V171 VanDerWaalsContact O-N 3.15Å; E169-V171 VanDerWaalsContact C-N 3.29Å; E169-V171 PolarHBondContact O-N 2.95Å; V171-D173 PolarHBondContact O-N 2.93Å; V171-R178 VanDerWaalsContact CB-CZ 3.42Å; V171-R178 PolarHBondContact O-NH2 3.5Å
172	S	52.1	Low	65.8	Low	67 Å²	67	67.7 Å²	67.7	47%	0.469	36%	0.361	S	S	.	.	S	Bend	trans	-58.4	42.7	-175.4	67.1	0	0	0	0	116.6	K49	K49-S172 PolarHBondContact NZ-OG 3.24Å
173	D	57.5	Low	66.2	Low	21 Å²	21	70.3 Å²	70.3	11%	0.112	38%	0.38	C	S	.	.	S	Bend	trans	-146.4	117.4	177	-156.3	15.7	0	0	0	107.3	V171 R177 R178	V171-D173 PolarHBondContact O-N 2.93Å; D173-R177 HydrophobicContact CB-CB 4.39Å; D173-R177 VanDerWaalsContact OD1-CB 3.22Å; D173-R177 WeakPolarHBondContact OD1-CB 3.38Å; D173-R177 WeakPolarHBondContact OD1-CD 3.36Å; D173-R177 WeakPolarHBondContact OD1-CG 3.43Å; D173-R177 IonicContact OD1-CZ 3.53Å; D173-R177 IonicContact OD1-NE 3.37Å; D173-R177 PolarHBondContact OD1-NE 3.24Å; D173-R177 IonicContact OD1-NH1 2.73Å; D173-R177 PolarHBondContact OD1-NH1 3.32Å; D173-R177 VanDerWaalsContact OD2-CB 3.23Å; D173-R177 WeakPolarHBondContact OD2-CB 3.29Å; D173-R178 PolarHBondContact O-NH2 3.47Å
174	P	59.2	Low	66.6	Low	15 Å²	15	73 Å²	73	10%	0.097	39%	0.393	C	S	.	.			trans	-46.5	147.6	-179.7	-26.2	27.6	0	0	0	112.6	E167 C176 R177	E167-P174 HydrophobicContact CG-CB 4.38Å; E167-P174 HydrophobicContact CG-CG 3.89Å; P174-C176 PolarHBondContact O-N 3.28Å; P174-R177 HydrophobicContact CB-CG 4.23Å; P174-R177 HydrophobicContact CG-CG 4.37Å; P174-R177 WeakPolarHBondContact O-CA 3.4Å; P174-R177 VanDerWaalsContact O-CB 3.26Å; P174-R177 WeakPolarHBondContact O-CB 3.27Å; P174-R177 WeakPolarHBondContact O-CG 3.49Å; P174-R177 PolarHBondContact O-N 2.86Å
175	M	59.6	Low	67.2	Low	50 Å²	50	71.7 Å²	71.7	25%	0.246	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-52.2	-34.3	179.6	-91.6	-172	75.4	0	0	113.2	L163 F168 R177 R178 L181	L163-M175 WeakPolarHBondContact O-CB 3.33Å; F168-M175 HydrophobicContact CD2-CG 3.63Å; F168-M175 HydrophobicContact CD2-SD 3.35Å; F168-M175 WeakPolarHBondContact CD2-SD 3.29Å; F168-M175 HydrophobicContact CE2-CG 4.08Å; F168-M175 HydrophobicContact CE2-SD 3.14Å; F168-M175 WeakPolarHBondContact CE2-SD 3.29Å; F168-M175 HydrophobicContact CG-SD 4.4Å; F168-M175 HydrophobicContact CZ-SD 4.06Å; M175-R177 PolarHBondContact O-N 3.24Å; M175-R178 PolarHBondContact O-N 3.27Å; M175-L181 HydrophobicContact CB-CD1 4.16Å; M175-L181 HydrophobicContact CE-CD1 3.92Å
176	C	58.2	Low	68.2	Low	29 Å²	29	69 Å²	69	20%	0.196	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-58.8	-9.6	174.2	71.2	0	0	0	0	114.8	L163 F164 P174	L163-C176 PolarHBondContact O-N 3.07Å; F164-C176 HydrophobicContact CD1-CB 3.93Å; P174-C176 PolarHBondContact O-N 3.28Å
177	R	64.2	Low	69.7	Low	138 Å²	138	68.8 Å²	68.8	52%	0.521	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-101.1	18.3	176.3	-49.7	-124.3	-159.2	130.7	-8.6	112.4	D173 P174 M175 Q182	D173-R177 HydrophobicContact CB-CB 4.39Å; D173-R177 VanDerWaalsContact OD1-CB 3.22Å; D173-R177 WeakPolarHBondContact OD1-CB 3.38Å; D173-R177 WeakPolarHBondContact OD1-CD 3.36Å; D173-R177 WeakPolarHBondContact OD1-CG 3.43Å; D173-R177 IonicContact OD1-CZ 3.53Å; D173-R177 IonicContact OD1-NE 3.37Å; D173-R177 PolarHBondContact OD1-NE 3.24Å; D173-R177 IonicContact OD1-NH1 2.73Å; D173-R177 PolarHBondContact OD1-NH1 3.32Å; D173-R177 VanDerWaalsContact OD2-CB 3.23Å; D173-R177 WeakPolarHBondContact OD2-CB 3.29Å; P174-R177 HydrophobicContact CB-CG 4.23Å; P174-R177 HydrophobicContact CG-CG 4.37Å; P174-R177 WeakPolarHBondContact O-CA 3.4Å; P174-R177 VanDerWaalsContact O-CB 3.26Å; P174-R177 WeakPolarHBondContact O-CB 3.27Å; P174-R177 WeakPolarHBondContact O-CG 3.49Å; P174-R177 PolarHBondContact O-N 2.86Å; M175-R177 PolarHBondContact O-N 3.24Å; R177-Q182 PolarHBondContact O-NE2 2.94Å
178	R	73.7	Confident	71.7	Confident	92 Å²	92	63.7 Å²	63.7	35%	0.347	34%	0.339	S	S	.	.	S	Bend	trans	-135.1	147.3	176.1	-60.3	-169.1	-164.9	140.4	38.5	113.4	V171 D173 M175 L181	V171-R178 VanDerWaalsContact CB-CZ 3.42Å; V171-R178 PolarHBondContact O-NH2 3.5Å; D173-R178 PolarHBondContact O-NH2 3.47Å; M175-R178 PolarHBondContact O-N 3.27Å; R178-L181 PolarHBondContact O-N 3.05Å
179	G	83.3	Confident	73.9	Confident	62 Å²	62	59.7 Å²	59.7	64%	0.639	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	51.6	-139.2	170.5	0	0	0	0	0	113.7	L181 Q182	G179-L181 PolarHBondContact O-N 2.83Å; G179-Q182 PolarHBondContact O-N 3.36Å
180	L	87.2	Confident	76.2	Confident	111 Å²	111	52.3 Å²	52.3	58%	0.581	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-59	-28.6	-179.4	-176.5	66.2	0	0	0	113.2	F129 Q182 S183	F129-L180 HydrophobicContact CD2-CD2 4.12Å; F129-L180 HydrophobicContact CE2-CD2 3.58Å; F129-L180 HydrophobicContact CZ-CD2 4.22Å; L180-Q182 PolarHBondContact O-N 3.06Å; L180-Q182 VanDerWaalsContact O-N 3.16Å; L180-S183 VanDerWaalsContact O-CB 3.23Å; L180-S183 WeakPolarHBondContact O-CB 3.42Å; L180-S183 PolarHBondContact O-N 2.9Å; L180-S183 PolarHBondContact O-OG 3.13Å
181	L	85.3	Confident	78.5	Confident	16 Å²	16	54.4 Å²	54.4	8%	0.084	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-70.3	-11	-177	-54.5	-179.3	0	0	0	113.5	F129 L163 M175 R178 G179 S183 L186	F129-L181 HydrophobicContact CE1-CD2 4.18Å; F129-L181 HydrophobicContact CZ-CD2 3.89Å; L163-L181 HydrophobicContact CD2-CD1 3.83Å; L163-L181 HydrophobicContact CD2-CD2 3.89Å; M175-L181 HydrophobicContact CB-CD1 4.16Å; M175-L181 HydrophobicContact CE-CD1 3.92Å; R178-L181 PolarHBondContact O-N 3.05Å; G179-L181 PolarHBondContact O-N 2.83Å; L181-S183 VanDerWaalsContact C-N 3.31Å; L181-L186 HydrophobicContact CD2-CD2 3.57Å
182	Q	87	Confident	80.7	Confident	98 Å²	98	52.4 Å²	52.4	46%	0.458	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-77.3	-16.1	171.8	-64.4	-178.1	10.1	0	0	113.4	R177 G179 L180	R177-Q182 PolarHBondContact O-NE2 2.94Å; G179-Q182 PolarHBondContact O-N 3.36Å; L180-Q182 PolarHBondContact O-N 3.06Å; L180-Q182 VanDerWaalsContact O-N 3.16Å
183	S	91.6	Very high	82.7	Confident	57 Å²	57	49.3 Å²	49.3	40%	0.399	26%	0.26	S	S	.	.	S	Bend	trans	-57.9	137.4	-176.2	-64.7	0	0	0	0	111.6	L180 L181	L180-S183 VanDerWaalsContact O-CB 3.23Å; L180-S183 WeakPolarHBondContact O-CB 3.42Å; L180-S183 PolarHBondContact O-N 2.9Å; L180-S183 PolarHBondContact O-OG 3.13Å; L181-S183 VanDerWaalsContact C-N 3.31Å
184	I	92.8	Very high	84.4	Confident	57 Å²	57	49.2 Å²	49.2	29%	0.292	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	126.6	172	-60.9	169.5	0	0	0	107.5	V216 A219 Y223	I184-V216 HydrophobicContact CG2-CG1 4.14Å; I184-A219 HydrophobicContact CD1-CB 4.16Å; I184-A219 HydrophobicContact CG1-CB 4.21Å; I184-A219 HydrophobicContact CG2-CB 3.63Å; I184-Y223 HydrophobicContact CD1-CD1 4.49Å; I184-Y223 HydrophobicContact CD1-CG 4.1Å
185	G	92.9	Very high	86.1	Confident	5 Å²	5	49.9 Å²	49.9	5%	0.052	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	118.3	-10.3	-176.9	0	0	0	0	0	114.6	L126 E188 F189	L126-G185 WeakPolarHBondContact CD1-O 3.49Å; G185-E188 PolarHBondContact N-OE2 2.75Å; G185-F189 WeakPolarHBondContact O-CD2 3.27Å; G185-F189 WeakPolarHBondContact O-CE2 3.4Å
186	L	90.8	Very high	87.7	Confident	10 Å²	10	47.7 Å²	47.7	5%	0.052	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-65	178	173.9	63.2	0	0	0	111.1	L126 F129 F164 L181 E188 F189 L193	L126-L186 HydrophobicContact CD2-CB 4.13Å; L126-L186 HydrophobicContact CD2-CD1 3.68Å; L126-L186 HydrophobicContact CD2-CG 4.49Å; F129-L186 HydrophobicContact CD1-CD1 3.97Å; F129-L186 HydrophobicContact CD1-CD2 4.39Å; F129-L186 HydrophobicContact CE1-CD1 4.12Å; F129-L186 HydrophobicContact CE1-CD2 3.83Å; F129-L186 HydrophobicContact CZ-CD2 4.41Å; F164-L186 HydrophobicContact CE1-CD2 4.02Å; F164-L186 HydrophobicContact CE1-CG 4.01Å; F164-L186 HydrophobicContact CZ-CD1 4.06Å; F164-L186 HydrophobicContact CZ-CD2 3.89Å; F164-L186 HydrophobicContact CZ-CG 3.58Å; L181-L186 HydrophobicContact CD2-CD2 3.57Å; L186-E188 PolarHBondContact O-N 2.83Å; L186-F189 PolarHBondContact O-N 3.26Å; L186-L193 HydrophobicContact CD1-CD1 4.46Å
187	K	90.2	Very high	89.2	Confident	80 Å²	80	49.8 Å²	49.8	35%	0.348	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-61.9	-30.1	-178.6	67.8	-170.7	175.9	-163.4	0	113	F164 F189 S190	F164-K187 HydrophobicContact CD1-CB 3.87Å; F164-K187 HydrophobicContact CE1-CB 3.87Å; F164-K187 HydrophobicContact CG-CB 4.41Å; F164-K187 HydrophobicContact CZ-CB 4.4Å; K187-F189 PolarHBondContact O-N 3.35Å; K187-S190 VanDerWaalsContact O-CB 3.31Å; K187-S190 WeakPolarHBondContact O-CB 3.41Å; K187-S190 PolarHBondContact O-N 3.03Å; K187-S190 VanDerWaalsContact O-N 3.14Å; K187-S190 PolarHBondContact O-OG 2.84Å
188	E	94.1	Very high	90.5	Very high	30 Å²	30	50.1 Å²	50.1	14%	0.14	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-64.7	-23.9	177.2	-71.9	75.1	-156.3	0	0	112.9	G185 L186 A212 N215 V216	G185-E188 PolarHBondContact N-OE2 2.75Å; L186-E188 PolarHBondContact O-N 2.83Å; E188-A212 WeakPolarHBondContact O-CA 3.29Å; E188-A212 WeakPolarHBondContact O-CB 3.35Å; E188-N215 HydrophobicContact CB-CB 4.01Å; E188-N215 HydrophobicContact CG-CB 3.76Å; E188-V216 HydrophobicContact CB-CG2 3.62Å; E188-V216 HydrophobicContact CG-CG2 4.03Å
189	F	94.7	Very high	91.3	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-97.3	5.3	175.9	-72.8	-99.4	0	0	0	113.3	L118 L122 V123 L126 G185 L186 K187 D191 Y192 L193 L209 A212 V216	L118-F189 HydrophobicContact CD2-CE1 3.87Å; L118-F189 HydrophobicContact CD2-CZ 3.61Å; L122-F189 HydrophobicContact CD2-CE2 3.74Å; L122-F189 HydrophobicContact CD2-CZ 3.8Å; L122-F189 HydrophobicContact CG-CE2 4.5Å; V123-F189 HydrophobicContact CG2-CE1 4.11Å; L126-F189 HydrophobicContact CD1-CB 3.98Å; L126-F189 HydrophobicContact CD1-CD1 4.38Å; L126-F189 HydrophobicContact CD1-CD2 3.77Å; L126-F189 HydrophobicContact CD1-CE2 4.23Å; L126-F189 HydrophobicContact CD1-CG 3.82Å; G185-F189 WeakPolarHBondContact O-CD2 3.27Å; G185-F189 WeakPolarHBondContact O-CE2 3.4Å; L186-F189 PolarHBondContact O-N 3.26Å; K187-F189 PolarHBondContact O-N 3.35Å; F189-D191 VanDerWaalsContact C-N 3.32Å; F189-D191 PolarHBondContact O-N 3.04Å; F189-Y192 HydrophobicContact CD1-CD1 4.29Å; F189-Y192 PolarHBondContact O-N 3.25Å; F189-L193 HydrophobicContact CB-CD1 3.87Å; F189-L193 HydrophobicContact CB-CG 3.97Å; F189-L193 WeakPolarHBondContact O-CB 3.08Å; F189-L193 WeakPolarHBondContact O-CG 3.44Å; F189-L193 PolarHBondContact O-N 3.01Å; F189-L209 HydrophobicContact CD1-CD1 4.27Å; F189-L209 HydrophobicContact CE1-CD1 3.75Å; F189-A212 HydrophobicContact CB-CB 4.38Å; F189-A212 HydrophobicContact CD1-CB 3.6Å; F189-A212 HydrophobicContact CD2-CB 4.24Å; F189-A212 HydrophobicContact CE1-CB 3.89Å; F189-A212 HydrophobicContact CG-CB 3.79Å; F189-A212 HydrophobicContact CZ-CB 4.35Å; F189-V216 HydrophobicContact CD2-CG2 4.13Å; F189-V216 HydrophobicContact CE2-CG2 3.56Å; F189-V216 HydrophobicContact CZ-CG2 4.39Å
190	S	92.3	Very high	91.8	Very high	30 Å²	30	46.5 Å²	46.5	21%	0.21	24%	0.244	C	C	.	.	H	α-helix	trans	-50.8	-48	-175.3	49.8	0	0	0	0	113.2	L160 K187 L193 A194	L160-S190 WeakPolarHBondContact CD1-O 3.34Å; K187-S190 VanDerWaalsContact O-CB 3.31Å; K187-S190 WeakPolarHBondContact O-CB 3.41Å; K187-S190 PolarHBondContact O-N 3.03Å; K187-S190 VanDerWaalsContact O-N 3.14Å; K187-S190 PolarHBondContact O-OG 2.84Å; S190-L193 PolarHBondContact O-N 3.18Å; S190-A194 PolarHBondContact O-N 3.1Å
191	D	92.9	Very high	92	Very high	113 Å²	113	48.3 Å²	48.3	60%	0.604	26%	0.255	S	S	*	.	H	α-helix	trans	-65.8	-39.3	179	-61.2	-31.5	0	0	0	112.8	F189 A194 L208	F189-D191 VanDerWaalsContact C-N 3.32Å; F189-D191 PolarHBondContact O-N 3.04Å; D191-A194 WeakPolarHBondContact O-CB 3.36Å; D191-A194 PolarHBondContact O-N 3.5Å; D191-L208 HydrophobicContact CB-CD2 4.07Å
192	Y	95.6	Very high	92.4	Very high	19 Å²	19	50.7 Å²	50.7	8%	0.075	27%	0.27	C	S	.	.	H	α-helix	trans	-69.7	-41.2	177.1	179.7	-99.8	0	0	0	111.8	V123 F189 A194 L195 R200 A205 L208 L209	V123-Y192 HydrophobicContact CG1-CE1 3.73Å; V123-Y192 HydrophobicContact CG2-CE1 4.28Å; F189-Y192 HydrophobicContact CD1-CD1 4.29Å; F189-Y192 PolarHBondContact O-N 3.25Å; Y192-A194 PolarHBondContact O-N 3.23Å; Y192-L195 HydrophobicContact CD2-CD1 4.45Å; Y192-L195 WeakPolarHBondContact O-CB 3.32Å; Y192-L195 PolarHBondContact O-N 2.85Å; Y192-R200 HydrophobicContact CE2-CG 4.2Å; Y192-A205 WeakPolarHBondContact CD2-O 3.26Å; Y192-A205 HydrophobicContact CE2-CB 4.22Å; Y192-A205 WeakPolarHBondContact CE2-O 3.44Å; Y192-L208 HydrophobicContact CD2-CB 4.14Å; Y192-L209 HydrophobicContact CD1-CD1 4.1Å; Y192-L209 HydrophobicContact CD2-CB 3.75Å; Y192-L209 HydrophobicContact CD2-CD1 4.4Å; Y192-L209 HydrophobicContact CE1-CD1 3.89Å; Y192-L209 HydrophobicContact CE2-CB 3.63Å; Y192-L209 HydrophobicContact CE2-CD1 4.2Å; Y192-L209 HydrophobicContact CE2-CD2 4.46Å; Y192-L209 HydrophobicContact CE2-CG 4.3Å; Y192-L209 HydrophobicContact CG-CB 4.39Å; Y192-L209 HydrophobicContact CG-CD1 4.34Å
193	L	94.4	Very high	92.8	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-70	-15.2	176.7	-68.4	170.8	0	0	0	112.2	L126 R156 L160 L186 F189 S190 L195	L126-L193 HydrophobicContact CB-CD1 3.86Å; L126-L193 HydrophobicContact CB-CD2 3.93Å; L126-L193 HydrophobicContact CD1-CD1 4.2Å; R156-L193 PolarHBondContact NE-O 3.4Å; R156-L193 PolarHBondContact NH2-O 3.38Å; L160-L193 HydrophobicContact CD1-CB 4.1Å; L160-L193 HydrophobicContact CD2-CB 4.21Å; L186-L193 HydrophobicContact CD1-CD1 4.46Å; F189-L193 HydrophobicContact CB-CD1 3.87Å; F189-L193 HydrophobicContact CB-CG 3.97Å; F189-L193 WeakPolarHBondContact O-CB 3.08Å; F189-L193 WeakPolarHBondContact O-CG 3.44Å; F189-L193 PolarHBondContact O-N 3.01Å; S190-L193 PolarHBondContact O-N 3.18Å; L193-L195 PolarHBondContact O-N 2.98Å
194	A	93.4	Very high	93	Very high	20 Å²	20	56.9 Å²	56.9	17%	0.165	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-20.8	173.3	0	0	0	0	0	112.7	V157 L160 S190 D191 Y192	V157-A194 HydrophobicContact CG2-CB 4.02Å; L160-A194 HydrophobicContact CD1-CB 3.88Å; S190-A194 PolarHBondContact O-N 3.1Å; D191-A194 WeakPolarHBondContact O-CB 3.36Å; D191-A194 PolarHBondContact O-N 3.5Å; Y192-A194 PolarHBondContact O-N 3.23Å
195	L	93.8	Very high	93.1	Very high	28 Å²	28	54.2 Å²	54.2	15%	0.147	29%	0.287	C	S	.	.	S	Bend	trans	-74.9	141.6	175.9	-57.9	179	0	0	0	111.3	R156 Y192 L193 E199 R200 A205 L208	R156-L195 PolarHBondContact NE-O 3.07Å; Y192-L195 HydrophobicContact CD2-CD1 4.45Å; Y192-L195 WeakPolarHBondContact O-CB 3.32Å; Y192-L195 PolarHBondContact O-N 2.85Å; L193-L195 PolarHBondContact O-N 2.98Å; L195-E199 HydrophobicContact CB-CB 4.24Å; L195-R200 HydrophobicContact CB-CG 4.16Å; L195-R200 PolarHBondContact O-NE 3.38Å; L195-R200 PolarHBondContact O-NH2 3.28Å; L195-A205 HydrophobicContact CD1-CB 3.44Å; L195-A205 VanDerWaalsContact CD1-CB 3.44Å; L195-L208 HydrophobicContact CD1-CD1 4.06Å
196	L	92.6	Very high	93.3	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.026	30%	0.302	C	S	.	.			trans	-65.9	153	167.1	-66.8	179.2	0	0	0	110.3	P149 E152 K153 E198 E199 R200	P149-L196 HydrophobicContact CB-CD1 3.94Å; P149-L196 WeakPolarHBondContact O-CD1 3.45Å; E152-L196 HydrophobicContact CB-CD2 3.96Å; E152-L196 HydrophobicContact CG-CD2 3.63Å; K153-L196 HydrophobicContact CB-CD1 4.05Å; K153-L196 HydrophobicContact CB-CD2 4.19Å; K153-L196 HydrophobicContact CB-CG 3.93Å; K153-L196 HydrophobicContact CG-CG 4.37Å; L196-E198 PolarHBondContact O-N 2.97Å; L196-E198 VanDerWaalsContact O-N 3.15Å; L196-E199 HydrophobicContact CB-CG 4.16Å; L196-E199 PolarHBondContact N-OE2 3.47Å; L196-E199 PolarHBondContact O-N 3.37Å; L196-R200 WeakPolarHBondContact O-CG 3.4Å
197	P	91.2	Very high	93.6	Very high	72 Å²	72	59.5 Å²	59.5	47%	0.468	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-50.3	-39.2	177.3	-28.8	36.6	0	0	0	113.7	E199 R200	P197-E199 VanDerWaalsContact C-N 3.27Å; P197-E199 PolarHBondContact O-N 2.87Å; P197-R200 WeakPolarHBondContact O-CB 3.23Å; P197-R200 PolarHBondContact O-N 3Å
198	E	89.8	Confident	93.9	Very high	146 Å²	146	58.6 Å²	58.6	68%	0.682	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-66	-25.3	-179.7	-60.6	154	-172.9	0	0	113.6	L196 R200	L196-E198 PolarHBondContact O-N 2.97Å; L196-E198 VanDerWaalsContact O-N 3.15Å; E198-R200 VanDerWaalsContact C-N 3.32Å
199	E	91.7	Very high	94.1	Very high	57 Å²	57	59 Å²	59	27%	0.266	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-85.9	-8.1	-178.2	-60.7	-178.7	127.9	0	0	112.5	K153 L195 L196 P197 D201 T202 A205	K153-E199 WeakPolarHBondContact CE-OE2 3.45Å; K153-E199 VanDerWaalsContact NZ-CD 3.33Å; K153-E199 IonicContact NZ-OE1 2.94Å; K153-E199 PolarHBondContact NZ-OE1 3.03Å; K153-E199 IonicContact NZ-OE2 2.72Å; K153-E199 PolarHBondContact NZ-OE2 2.94Å; L195-E199 HydrophobicContact CB-CB 4.24Å; L196-E199 HydrophobicContact CB-CG 4.16Å; L196-E199 PolarHBondContact N-OE2 3.47Å; L196-E199 PolarHBondContact O-N 3.37Å; P197-E199 VanDerWaalsContact C-N 3.27Å; P197-E199 PolarHBondContact O-N 2.87Å; E199-D201 VanDerWaalsContact C-N 3.34Å; E199-D201 PolarHBondContact O-N 3.45Å; E199-T202 WeakPolarHBondContact O-CG2 3.41Å; E199-T202 PolarHBondContact O-N 3.32Å; E199-T202 PolarHBondContact O-OG1 3.39Å; E199-A205 WeakPolarHBondContact O-CB 3.47Å
200	R	93	Very high	94.2	Very high	20 Å²	20	66.1 Å²	66.1	8%	0.075	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-10.4	-168.2	-69.2	176	-174	-174.7	5.6	115	D127 Y192 L195 L196 P197 E198 T202 A205	D127-R200 IonicContact OD1-CZ 3.86Å; D127-R200 IonicContact OD1-NH1 2.89Å; D127-R200 PolarHBondContact OD1-NH1 3.37Å; D127-R200 IonicContact OD1-NH2 2.62Å; D127-R200 PolarHBondContact OD1-NH2 2.84Å; D127-R200 IonicContact OD2-CZ 3.58Å; D127-R200 IonicContact OD2-NH1 2.79Å; D127-R200 PolarHBondContact OD2-NH1 3.47Å; D127-R200 IonicContact OD2-NH2 3.5Å; Y192-R200 HydrophobicContact CE2-CG 4.2Å; L195-R200 HydrophobicContact CB-CG 4.16Å; L195-R200 PolarHBondContact O-NE 3.38Å; L195-R200 PolarHBondContact O-NH2 3.28Å; L196-R200 WeakPolarHBondContact O-CG 3.4Å; P197-R200 WeakPolarHBondContact O-CB 3.23Å; P197-R200 PolarHBondContact O-N 3Å; E198-R200 VanDerWaalsContact C-N 3.32Å; R200-T202 PolarHBondContact O-N 2.93Å; R200-A205 HydrophobicContact CB-CB 4.47Å; R200-A205 WeakPolarHBondContact O-CB 3.49Å
201	D	91.7	Very high	94.4	Very high	150 Å²	150	70 Å²	70	80%	0.802	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-0.8	175.1	-67.3	-28.5	0	0	0	112.9	E199	E199-D201 VanDerWaalsContact C-N 3.34Å; E199-D201 PolarHBondContact O-N 3.45Å
202	T	94.8	Very high	94.6	Very high	65 Å²	65	64.7 Å²	64.7	40%	0.399	34%	0.342	S	S	.	.	S	Bend	trans	-77.9	158.9	-179.7	63.5	0	0	0	0	113.1	E199 R200 E204 A205 N206	E199-T202 WeakPolarHBondContact O-CG2 3.41Å; E199-T202 PolarHBondContact O-N 3.32Å; E199-T202 PolarHBondContact O-OG1 3.39Å; R200-T202 PolarHBondContact O-N 2.93Å; T202-E204 VanDerWaalsContact C-N 3.26Å; T202-E204 PolarHBondContact O-N 3.43Å; T202-A205 PolarHBondContact O-N 3.03Å; T202-A205 VanDerWaalsContact OG1-CB 3.24Å; T202-A205 WeakPolarHBondContact OG1-CB 3.38Å; T202-A205 PolarHBondContact OG1-N 3.35Å; T202-A205 VanDerWaalsContact OG1-N 3.14Å; T202-N206 PolarHBondContact O-N 2.96Å; T202-N206 VanDerWaalsContact O-N 3.09Å; T202-N206 PolarHBondContact O-ND2 3.27Å
203	V	95.2	Very high	94.8	Very high	128 Å²	128	64.1 Å²	64.1	78%	0.776	34%	0.341	S	S	*	.	H	α-helix	trans	-62.4	-37.4	174.2	179.8	0	0	0	0	111	N206 A207	V203-N206 PolarHBondContact O-N 3.34Å; V203-A207 PolarHBondContact O-N 3.37Å
204	E	94.8	Very high	94.9	Very high	158 Å²	158	68 Å²	68	74%	0.738	36%	0.359	S	S	*	.	H	α-helix	trans	-66	-45.2	178.3	-62.8	-177.6	176.9	0	0	111.7	T202 N206 A207 L208	T202-E204 VanDerWaalsContact C-N 3.26Å; T202-E204 PolarHBondContact O-N 3.43Å; E204-N206 VanDerWaalsContact C-N 3.32Å; E204-N206 PolarHBondContact O-N 2.95Å; E204-A207 WeakPolarHBondContact O-CB 3.37Å; E204-A207 PolarHBondContact O-N 3.46Å; E204-A207 VanDerWaalsContact O-N 3.1Å; E204-L208 PolarHBondContact O-N 3.41Å
205	A	95.8	Very high	95.1	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-60.7	-42.1	175.2	0	0	0	0	0	112.2	Y192 L195 E199 R200 T202 A207 L208 L209	Y192-A205 WeakPolarHBondContact CD2-O 3.26Å; Y192-A205 HydrophobicContact CE2-CB 4.22Å; Y192-A205 WeakPolarHBondContact CE2-O 3.44Å; L195-A205 HydrophobicContact CD1-CB 3.44Å; L195-A205 VanDerWaalsContact CD1-CB 3.44Å; E199-A205 WeakPolarHBondContact O-CB 3.47Å; R200-A205 HydrophobicContact CB-CB 4.47Å; R200-A205 WeakPolarHBondContact O-CB 3.49Å; T202-A205 PolarHBondContact O-N 3.03Å; T202-A205 VanDerWaalsContact OG1-CB 3.24Å; T202-A205 WeakPolarHBondContact OG1-CB 3.38Å; T202-A205 PolarHBondContact OG1-N 3.35Å; T202-A205 VanDerWaalsContact OG1-N 3.14Å; A205-A207 VanDerWaalsContact C-N 3.28Å; A205-A207 PolarHBondContact O-N 3.23Å; A205-L208 PolarHBondContact O-N 3.1Å; A205-L209 WeakPolarHBondContact O-CB 3.35Å; A205-L209 PolarHBondContact O-N 2.72Å
206	N	96.2	Very high	95.3	Very high	69 Å²	69	69 Å²	69	37%	0.369	36%	0.362	S	S	.	.	H	α-helix	trans	-62	-34.6	174.5	-81.4	-61.7	0	0	0	112.8	T202 V203 E204 K210	T202-N206 PolarHBondContact O-N 2.96Å; T202-N206 VanDerWaalsContact O-N 3.09Å; T202-N206 PolarHBondContact O-ND2 3.27Å; V203-N206 PolarHBondContact O-N 3.34Å; E204-N206 VanDerWaalsContact C-N 3.32Å; E204-N206 PolarHBondContact O-N 2.95Å; N206-K210 WeakPolarHBondContact O-CB 3.33Å; N206-K210 VanDerWaalsContact O-CG 3.29Å; N206-K210 WeakPolarHBondContact O-CG 3.41Å; N206-K210 PolarHBondContact O-N 2.85Å; N206-K210 VanDerWaalsContact O-N 3.07Å
207	A	97.5	Very high	95.6	Very high	58 Å²	58	69.8 Å²	69.8	48%	0.479	37%	0.365	S	S	.	.	H	α-helix	trans	-67.8	-43.6	174.2	0	0	0	0	0	111.6	V203 E204 A205 K210 Q211	V203-A207 PolarHBondContact O-N 3.37Å; E204-A207 WeakPolarHBondContact O-CB 3.37Å; E204-A207 PolarHBondContact O-N 3.46Å; E204-A207 VanDerWaalsContact O-N 3.1Å; A205-A207 VanDerWaalsContact C-N 3.28Å; A205-A207 PolarHBondContact O-N 3.23Å; A207-K210 PolarHBondContact O-N 3.14Å; A207-Q211 WeakPolarHBondContact O-CB 3.5Å; A207-Q211 PolarHBondContact O-N 3.31Å
208	L	97.1	Very high	95.9	Very high	60 Å²	60	68.9 Å²	68.9	31%	0.314	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-42.7	174.5	-69.8	175.1	0	0	0	111.8	D191 Y192 L195 E204 A205 Q211 A212	D191-L208 HydrophobicContact CB-CD2 4.07Å; Y192-L208 HydrophobicContact CD2-CB 4.14Å; L195-L208 HydrophobicContact CD1-CD1 4.06Å; E204-L208 PolarHBondContact O-N 3.41Å; A205-L208 PolarHBondContact O-N 3.1Å; L208-Q211 PolarHBondContact O-N 3.5Å; L208-A212 WeakPolarHBondContact O-CB 3.32Å; L208-A212 PolarHBondContact O-N 2.99Å
209	L	97	Very high	96.1	Very high	40 Å²	40	62.7 Å²	62.7	21%	0.209	33%	0.333	C	S	.	.	H	α-helix	trans	-60	-47.6	176.8	-177	61.2	0	0	0	111.7	V123 F189 Y192 A205 A212 A213	V123-L209 HydrophobicContact CG2-CD1 3.94Å; F189-L209 HydrophobicContact CD1-CD1 4.27Å; F189-L209 HydrophobicContact CE1-CD1 3.75Å; Y192-L209 HydrophobicContact CD1-CD1 4.1Å; Y192-L209 HydrophobicContact CD2-CB 3.75Å; Y192-L209 HydrophobicContact CD2-CD1 4.4Å; Y192-L209 HydrophobicContact CE1-CD1 3.89Å; Y192-L209 HydrophobicContact CE2-CB 3.63Å; Y192-L209 HydrophobicContact CE2-CD1 4.2Å; Y192-L209 HydrophobicContact CE2-CD2 4.46Å; Y192-L209 HydrophobicContact CE2-CG 4.3Å; Y192-L209 HydrophobicContact CG-CB 4.39Å; Y192-L209 HydrophobicContact CG-CD1 4.34Å; A205-L209 WeakPolarHBondContact O-CB 3.35Å; A205-L209 PolarHBondContact O-N 2.72Å; L209-A212 PolarHBondContact O-N 3.42Å; L209-A213 WeakPolarHBondContact O-CB 3.49Å; L209-A213 PolarHBondContact O-N 2.63Å
210	K	97.2	Very high	96.4	Very high	150 Å²	150	60.7 Å²	60.7	65%	0.652	32%	0.324	S	S	*	.	H	α-helix	trans	-62.6	-42.4	177.2	-74.4	174.1	-177.1	176.9	0	111.7	N206 A207 A213 E214	N206-K210 WeakPolarHBondContact O-CB 3.33Å; N206-K210 VanDerWaalsContact O-CG 3.29Å; N206-K210 WeakPolarHBondContact O-CG 3.41Å; N206-K210 PolarHBondContact O-N 2.85Å; N206-K210 VanDerWaalsContact O-N 3.07Å; A207-K210 PolarHBondContact O-N 3.14Å; K210-A213 PolarHBondContact O-N 3.03Å; K210-E214 PolarHBondContact O-N 3.23Å
211	Q	97.6	Very high	96.6	Very high	110 Å²	110	62 Å²	62	51%	0.514	33%	0.329	S	S	.	.	H	α-helix	trans	-64.2	-43.9	177.5	-175.2	60.4	48.4	0	0	111.5	A207 L208 A213 E214 N215	A207-Q211 WeakPolarHBondContact O-CB 3.5Å; A207-Q211 PolarHBondContact O-N 3.31Å; L208-Q211 PolarHBondContact O-N 3.5Å; Q211-A213 PolarHBondContact O-N 3.41Å; Q211-E214 PolarHBondContact O-N 3.2Å; Q211-N215 PolarHBondContact NE2-OD1 2.7Å; Q211-N215 PolarHBondContact O-N 3.41Å; Q211-N215 PolarHBondContact O-ND2 3.34Å; Q211-N215 PolarHBondContact O-OD1 2.82Å
212	A	97.2	Very high	96.8	Very high	3 Å²	3	58.9 Å²	58.9	3%	0.025	31%	0.31	C	S	.	.	H	α-helix	trans	-58.6	-47.4	175	0	0	0	0	0	111	E188 F189 L208 L209 E214 N215 V216	E188-A212 WeakPolarHBondContact O-CA 3.29Å; E188-A212 WeakPolarHBondContact O-CB 3.35Å; F189-A212 HydrophobicContact CB-CB 4.38Å; F189-A212 HydrophobicContact CD1-CB 3.6Å; F189-A212 HydrophobicContact CD2-CB 4.24Å; F189-A212 HydrophobicContact CE1-CB 3.89Å; F189-A212 HydrophobicContact CG-CB 3.79Å; F189-A212 HydrophobicContact CZ-CB 4.35Å; L208-A212 WeakPolarHBondContact O-CB 3.32Å; L208-A212 PolarHBondContact O-N 2.99Å; L209-A212 PolarHBondContact O-N 3.42Å; A212-E214 PolarHBondContact O-N 3.36Å; A212-N215 WeakPolarHBondContact O-CB 3.3Å; A212-N215 PolarHBondContact O-N 3.05Å; A212-N215 VanDerWaalsContact O-N 3.15Å; A212-V216 VanDerWaalsContact O-CG2 3.29Å; A212-V216 WeakPolarHBondContact O-CG2 3.27Å; A212-V216 PolarHBondContact O-N 3.37Å
213	A	98	Very high	96.9	Very high	7 Å²	7	61.5 Å²	61.5	6%	0.058	31%	0.313	C	S	.	.	H	α-helix	trans	-57.6	-43.7	176.4	0	0	0	0	0	112.8	L118 L209 K210 Q211 V216 K217	L118-A213 HydrophobicContact CD1-CB 3.69Å; L209-A213 WeakPolarHBondContact O-CB 3.49Å; L209-A213 PolarHBondContact O-N 2.63Å; K210-A213 PolarHBondContact O-N 3.03Å; Q211-A213 PolarHBondContact O-N 3.41Å; A213-V216 PolarHBondContact O-N 2.63Å; A213-K217 WeakPolarHBondContact O-CG 3.29Å; A213-K217 PolarHBondContact O-N 3.24Å
214	E	98.1	Very high	97	Very high	81 Å²	81	55.9 Å²	55.9	38%	0.379	28%	0.28	S	S	.	.	H	α-helix	trans	-68.5	-33.7	176.8	-73.1	-52.1	128	0	0	113.3	K210 Q211 A212 K217 T218	K210-E214 PolarHBondContact O-N 3.23Å; Q211-E214 PolarHBondContact O-N 3.2Å; A212-E214 PolarHBondContact O-N 3.36Å; E214-K217 PolarHBondContact O-N 3.09Å; E214-K217 VanDerWaalsContact OE1-CD 3.32Å; E214-K217 WeakPolarHBondContact OE1-CD 3.44Å; E214-K217 WeakPolarHBondContact OE1-CE 3.44Å; E214-K217 IonicContact OE1-NZ 3.51Å; E214-K217 PolarHBondContact OE1-NZ 3.36Å; E214-T218 WeakPolarHBondContact O-CB 2.92Å; E214-T218 PolarHBondContact O-N 2.81Å; E214-T218 PolarHBondContact O-OG1 2.87Å
215	N	97.1	Very high	97	Very high	67 Å²	67	55.2 Å²	55.2	36%	0.358	27%	0.271	S	S	.	.	H	α-helix	trans	-63.9	-43.6	172.8	-68.7	-18.6	0	0	0	110.9	E188 Q211 A212 T218 A219	E188-N215 HydrophobicContact CB-CB 4.01Å; E188-N215 HydrophobicContact CG-CB 3.76Å; Q211-N215 PolarHBondContact NE2-OD1 2.7Å; Q211-N215 PolarHBondContact O-N 3.41Å; Q211-N215 PolarHBondContact O-ND2 3.34Å; Q211-N215 PolarHBondContact O-OD1 2.82Å; A212-N215 WeakPolarHBondContact O-CB 3.3Å; A212-N215 PolarHBondContact O-N 3.05Å; A212-N215 VanDerWaalsContact O-N 3.15Å; N215-T218 PolarHBondContact O-N 2.92Å; N215-A219 WeakPolarHBondContact O-CB 3.42Å; N215-A219 PolarHBondContact O-N 2.62Å
216	V	97.6	Very high	97	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.012	30%	0.299	C	S	.	.	H	α-helix	trans	-61.7	-46.8	176	175.1	0	0	0	0	111.2	V114 I184 E188 F189 A212 A213 T218 A219 T220	V114-V216 HydrophobicContact CB-CG1 4.48Å; V114-V216 HydrophobicContact CG1-CB 4.17Å; V114-V216 HydrophobicContact CG1-CG1 3.73Å; V114-V216 HydrophobicContact CG2-CG1 3.83Å; I184-V216 HydrophobicContact CG2-CG1 4.14Å; E188-V216 HydrophobicContact CB-CG2 3.62Å; E188-V216 HydrophobicContact CG-CG2 4.03Å; F189-V216 HydrophobicContact CD2-CG2 4.13Å; F189-V216 HydrophobicContact CE2-CG2 3.56Å; F189-V216 HydrophobicContact CZ-CG2 4.39Å; A212-V216 VanDerWaalsContact O-CG2 3.29Å; A212-V216 WeakPolarHBondContact O-CG2 3.27Å; A212-V216 PolarHBondContact O-N 3.37Å; A213-V216 PolarHBondContact O-N 2.63Å; V216-T218 VanDerWaalsContact C-N 3.32Å; V216-T218 PolarHBondContact O-N 3.15Å; V216-A219 PolarHBondContact O-N 2.88Å; V216-T220 VanDerWaalsContact O-CB 3.27Å; V216-T220 WeakPolarHBondContact O-CB 3.43Å; V216-T220 PolarHBondContact O-N 3.42Å; V216-T220 PolarHBondContact O-OG1 3.38Å
217	K	98.4	Very high	96.9	Very high	22 Å²	22	63.6 Å²	63.6	10%	0.096	30%	0.301	C	S	.	.	H	α-helix	trans	-57.5	-46.7	175	-71.3	172.6	-168.7	168.8	0	110.9	N111 V114 N115 A213 E214 T220 R221	N111-K217 HydrophobicContact CB-CD 4.31Å; V114-K217 HydrophobicContact CB-CG 3.86Å; V114-K217 HydrophobicContact CG1-CG 3.83Å; V114-K217 HydrophobicContact CG2-CG 4.08Å; N115-K217 WeakPolarHBondContact OD1-CE 3.24Å; N115-K217 PolarHBondContact OD1-NZ 3.22Å; A213-K217 WeakPolarHBondContact O-CG 3.29Å; A213-K217 PolarHBondContact O-N 3.24Å; E214-K217 PolarHBondContact O-N 3.09Å; E214-K217 VanDerWaalsContact OE1-CD 3.32Å; E214-K217 WeakPolarHBondContact OE1-CD 3.44Å; E214-K217 WeakPolarHBondContact OE1-CE 3.44Å; E214-K217 IonicContact OE1-NZ 3.51Å; E214-K217 PolarHBondContact OE1-NZ 3.36Å; K217-T220 PolarHBondContact O-N 3.06Å; K217-R221 WeakPolarHBondContact O-CG 3.31Å; K217-R221 PolarHBondContact O-N 3.44Å
218	T	97.4	Very high	96.8	Very high	53 Å²	53	63.1 Å²	63.1	33%	0.325	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-47.7	179.5	-64.2	0	0	0	0	112.2	E214 N215 V216 T220 R221 Q222	E214-T218 WeakPolarHBondContact O-CB 2.92Å; E214-T218 PolarHBondContact O-N 2.81Å; E214-T218 PolarHBondContact O-OG1 2.87Å; N215-T218 PolarHBondContact O-N 2.92Å; V216-T218 VanDerWaalsContact C-N 3.32Å; V216-T218 PolarHBondContact O-N 3.15Å; T218-T220 VanDerWaalsContact C-N 3.32Å; T218-T220 PolarHBondContact O-N 3.37Å; T218-R221 PolarHBondContact O-N 3.15Å; T218-R221 PolarHBondContact OG1-NH2 3.42Å; T218-Q222 WeakPolarHBondContact O-CG 3.41Å; T218-Q222 PolarHBondContact O-N 3.06Å
219	A	95.9	Very high	96.5	Very high	17 Å²	17	63 Å²	63	14%	0.14	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-41.6	177.1	0	0	0	0	0	111.6	I184 N215 V216 Q222 Y223	I184-A219 HydrophobicContact CD1-CB 4.16Å; I184-A219 HydrophobicContact CG1-CB 4.21Å; I184-A219 HydrophobicContact CG2-CB 3.63Å; N215-A219 WeakPolarHBondContact O-CB 3.42Å; N215-A219 PolarHBondContact O-N 2.62Å; V216-A219 PolarHBondContact O-N 2.88Å; A219-Q222 PolarHBondContact O-N 3.14Å; A219-Y223 WeakPolarHBondContact O-CB 3.45Å; A219-Y223 PolarHBondContact O-N 3.43Å
220	T	97.4	Very high	96.2	Very high	15 Å²	15	68 Å²	68	9%	0.092	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-46	178	-57.8	0	0	0	0	111.5	L110 V216 K217 T218 Q222 Y223 A224	L110-T220 HydrophobicContact CB-CG2 4.15Å; L110-T220 HydrophobicContact CD1-CG2 4.19Å; L110-T220 HydrophobicContact CD2-CG2 3.79Å; L110-T220 HydrophobicContact CG-CG2 4.25Å; V216-T220 VanDerWaalsContact O-CB 3.27Å; V216-T220 WeakPolarHBondContact O-CB 3.43Å; V216-T220 PolarHBondContact O-N 3.42Å; V216-T220 PolarHBondContact O-OG1 3.38Å; K217-T220 PolarHBondContact O-N 3.06Å; T218-T220 VanDerWaalsContact C-N 3.32Å; T218-T220 PolarHBondContact O-N 3.37Å; T220-Q222 PolarHBondContact O-N 2.99Å; T220-Y223 WeakPolarHBondContact O-CB 3.45Å; T220-Y223 PolarHBondContact O-N 3.2Å; T220-A224 PolarHBondContact O-N 3.38Å
221	R	97.6	Very high	95.9	Very high	48 Å²	48	62.6 Å²	62.6	18%	0.181	29%	0.29	C	S	.	.	H	α-helix	trans	-62.4	-41.7	175.2	-68.5	-178	-63.7	-123.1	6.4	112.2	N107 L110 N111 K217 T218 Y223 A224 R225	N107-R221 HydrophobicContact CB-CG 4.31Å; N107-R221 WeakPolarHBondContact OD1-CG 3.49Å; L110-R221 HydrophobicContact CD1-CG 4.46Å; N111-R221 VanDerWaalsContact CG-NH1 3.34Å; N111-R221 PolarHBondContact ND2-NH1 3.49Å; N111-R221 VanDerWaalsContact ND2-NH1 3.2Å; N111-R221 PolarHBondContact OD1-NH1 2.91Å; K217-R221 WeakPolarHBondContact O-CG 3.31Å; K217-R221 PolarHBondContact O-N 3.44Å; T218-R221 PolarHBondContact O-N 3.15Å; T218-R221 PolarHBondContact OG1-NH2 3.42Å; R221-Y223 VanDerWaalsContact C-N 3.33Å; R221-A224 PolarHBondContact O-N 2.9Å; R221-R225 WeakPolarHBondContact O-CG 3.31Å; R221-R225 PolarHBondContact O-N 3.23Å; R221-R225 VanDerWaalsContact O-N 3.15Å
222	Q	96.1	Very high	95.5	Very high	84 Å²	84	62.2 Å²	62.2	39%	0.393	28%	0.284	S	S	.	.	H	α-helix	trans	-64.2	-39.8	175.4	-71.4	179	14.8	0	0	111.8	T218 A219 T220 R225 R226	T218-Q222 WeakPolarHBondContact O-CG 3.41Å; T218-Q222 PolarHBondContact O-N 3.06Å; A219-Q222 PolarHBondContact O-N 3.14Å; T220-Q222 PolarHBondContact O-N 2.99Å; Q222-R225 PolarHBondContact O-N 3.43Å; Q222-R226 VanDerWaalsContact O-CG 3.31Å; Q222-R226 WeakPolarHBondContact O-CG 3.49Å; Q222-R226 PolarHBondContact O-N 2.82Å
223	Y	96.4	Very high	94.8	Very high	120 Å²	120	64.9 Å²	64.9	47%	0.471	30%	0.298	S	S	.	.	H	α-helix	trans	-62.8	-47.3	177	-178.6	-117.6	0	0	0	111.5	I184 A219 T220 R221 R225 R226 Q227	I184-Y223 HydrophobicContact CD1-CD1 4.49Å; I184-Y223 HydrophobicContact CD1-CG 4.1Å; A219-Y223 WeakPolarHBondContact O-CB 3.45Å; A219-Y223 PolarHBondContact O-N 3.43Å; T220-Y223 WeakPolarHBondContact O-CB 3.45Å; T220-Y223 PolarHBondContact O-N 3.2Å; R221-Y223 VanDerWaalsContact C-N 3.33Å; Y223-R225 PolarHBondContact O-N 2.72Å; Y223-R226 CarbonylContact O-C 3.57Å; Y223-R226 WeakPolarHBondContact O-CA 3.31Å; Y223-R226 WeakPolarHBondContact O-CB 3.41Å; Y223-R226 PolarHBondContact O-N 3.5Å; Y223-Q227 HydrophobicContact CD1-CG 4.46Å; Y223-Q227 VanDerWaalsContact CE1-CD 3.43Å; Y223-Q227 HydrophobicContact CE1-CG 4.13Å; Y223-Q227 HydrophobicContact CE2-CG 4.17Å; Y223-Q227 WeakPolarHBondContact O-CG 3.38Å; Y223-Q227 PolarHBondContact O-N 3Å; Y223-Q227 PolarHBondContact OH-NE2 3.29Å
224	A	96.7	Very high	94.1	Very high	10 Å²	10	68.9 Å²	68.9	8%	0.083	31%	0.312	C	S	.	.	H	α-helix	trans	-56.2	-46.6	175.4	0	0	0	0	0	112.3	L106 L110 T220 R221 R226 Q227 V228	L106-A224 HydrophobicContact CD2-CB 4.15Å; L110-A224 HydrophobicContact CD1-CB 3.75Å; T220-A224 PolarHBondContact O-N 3.38Å; R221-A224 PolarHBondContact O-N 2.9Å; A224-R226 VanDerWaalsContact C-N 3.32Å; A224-R226 PolarHBondContact O-N 3.21Å; A224-Q227 WeakPolarHBondContact O-CB 3.34Å; A224-Q227 PolarHBondContact O-N 3.1Å; A224-Q227 VanDerWaalsContact O-N 3.14Å; A224-V228 PolarHBondContact O-N 2.87Å
225	R	95.4	Very high	93.5	Very high	144 Å²	144	66.6 Å²	66.6	54%	0.543	30%	0.301	S	S	.	.	H	α-helix	trans	-61	-39.3	175.2	-67.4	174.2	-164.4	165.7	3.2	112.6	R221 Q222 Y223 S229	R221-R225 WeakPolarHBondContact O-CG 3.31Å; R221-R225 PolarHBondContact O-N 3.23Å; R221-R225 VanDerWaalsContact O-N 3.15Å; Q222-R225 PolarHBondContact O-N 3.43Å; Y223-R225 PolarHBondContact O-N 2.72Å; R225-S229 WeakPolarHBondContact O-CB 3.35Å; R225-S229 PolarHBondContact O-N 3.09Å
226	R	94.7	Very high	93.1	Very high	157 Å²	157	63.6 Å²	63.6	59%	0.592	28%	0.284	S	S	*	.	H	α-helix	trans	-65.5	-38.4	175.4	-72.7	175.9	-164.4	154.1	8.5	111.3	Q222 Y223 A224 S229 W230	Q222-R226 VanDerWaalsContact O-CG 3.31Å; Q222-R226 WeakPolarHBondContact O-CG 3.49Å; Q222-R226 PolarHBondContact O-N 2.82Å; Y223-R226 CarbonylContact O-C 3.57Å; Y223-R226 WeakPolarHBondContact O-CA 3.31Å; Y223-R226 WeakPolarHBondContact O-CB 3.41Å; Y223-R226 PolarHBondContact O-N 3.5Å; A224-R226 VanDerWaalsContact C-N 3.32Å; A224-R226 PolarHBondContact O-N 3.21Å; R226-S229 PolarHBondContact O-N 3.33Å; R226-W230 VanDerWaalsContact O-CB 3.31Å; R226-W230 WeakPolarHBondContact O-CB 3.19Å; R226-W230 PolarHBondContact O-N 3.05Å
227	Q	95.4	Very high	92.2	Very high	88 Å²	88	67 Å²	67	41%	0.411	30%	0.297	S	S	.	.	H	α-helix	trans	-62.7	-48.2	176.3	-70.9	177.3	-64	0	0	111.4	Y223 A224 S229 W230 I231	Y223-Q227 HydrophobicContact CD1-CG 4.46Å; Y223-Q227 VanDerWaalsContact CE1-CD 3.43Å; Y223-Q227 HydrophobicContact CE1-CG 4.13Å; Y223-Q227 HydrophobicContact CE2-CG 4.17Å; Y223-Q227 WeakPolarHBondContact O-CG 3.38Å; Y223-Q227 PolarHBondContact O-N 3Å; Y223-Q227 PolarHBondContact OH-NE2 3.29Å; A224-Q227 WeakPolarHBondContact O-CB 3.34Å; A224-Q227 PolarHBondContact O-N 3.1Å; A224-Q227 VanDerWaalsContact O-N 3.14Å; Q227-S229 VanDerWaalsContact C-N 3.35Å; Q227-S229 PolarHBondContact O-N 3.21Å; Q227-W230 WeakPolarHBondContact O-CA 3.44Å; Q227-W230 WeakPolarHBondContact O-CB 3.45Å; Q227-W230 PolarHBondContact O-N 3.22Å; Q227-W230 VanDerWaalsContact O-N 3.09Å; Q227-I231 WeakPolarHBondContact O-CG1 3.48Å; Q227-I231 PolarHBondContact O-N 3.4Å
228	V	93.8	Very high	91	Very high	47 Å²	47	67.5 Å²	67.5	29%	0.285	30%	0.298	S	S	.	.	H	α-helix	trans	-58.4	-47.4	175.5	174.1	0	0	0	0	111	W98 A224 W230 I231 R232	W98-V228 HydrophobicContact CZ2-CG1 4.13Å; A224-V228 PolarHBondContact O-N 2.87Å; V228-W230 VanDerWaalsContact C-N 3.28Å; V228-W230 PolarHBondContact O-N 3.06Å; V228-I231 PolarHBondContact O-N 3.06Å; V228-R232 WeakPolarHBondContact O-CG 3.22Å; V228-R232 PolarHBondContact O-N 3.26Å
229	S	90.6	Very high	89.7	Confident	59 Å²	59	68.9 Å²	68.9	41%	0.413	31%	0.308	S	S	.	.	H	α-helix	trans	-60	-39	175.8	-176.1	0	0	0	0	112.1	R225 R226 Q227 N233	R225-S229 WeakPolarHBondContact O-CB 3.35Å; R225-S229 PolarHBondContact O-N 3.09Å; R226-S229 PolarHBondContact O-N 3.33Å; Q227-S229 VanDerWaalsContact C-N 3.35Å; Q227-S229 PolarHBondContact O-N 3.21Å; S229-N233 WeakPolarHBondContact O-CB 3.34Å; S229-N233 VanDerWaalsContact O-CG 3.29Å; S229-N233 PolarHBondContact O-N 2.81Å; S229-N233 PolarHBondContact O-ND2 2.72Å; S229-N233 PolarHBondContact OG-ND2 3.15Å; S229-N233 VanDerWaalsContact OG-ND2 3.16Å
230	W	91.1	Very high	88.5	Confident	145 Å²	145	73.1 Å²	73.1	55%	0.549	33%	0.332	S	S	.	.	H	α-helix	trans	-65	-49.8	176.8	-171.7	90	0	0	0	111	R226 Q227 V228 R232 N233 R234 F235	R226-W230 VanDerWaalsContact O-CB 3.31Å; R226-W230 WeakPolarHBondContact O-CB 3.19Å; R226-W230 PolarHBondContact O-N 3.05Å; Q227-W230 WeakPolarHBondContact O-CA 3.44Å; Q227-W230 WeakPolarHBondContact O-CB 3.45Å; Q227-W230 PolarHBondContact O-N 3.22Å; Q227-W230 VanDerWaalsContact O-N 3.09Å; V228-W230 VanDerWaalsContact C-N 3.28Å; V228-W230 PolarHBondContact O-N 3.06Å; W230-R232 PolarHBondContact O-N 3.4Å; W230-N233 PolarHBondContact O-N 3.03Å; W230-R234 HydrophobicContact CD2-CB 4.08Å; W230-R234 HydrophobicContact CD2-CG 4.34Å; W230-R234 HydrophobicContact CE3-CB 4.29Å; W230-R234 HydrophobicContact CE3-CG 4.49Å; W230-R234 HydrophobicContact CH2-CG 3.94Å; W230-R234 HydrophobicContact CZ2-CB 4.4Å; W230-R234 HydrophobicContact CZ2-CG 3.75Å; W230-R234 HydrophobicContact CZ3-CG 4.31Å; W230-R234 WeakPolarHBondContact O-CA 3.34Å; W230-R234 WeakPolarHBondContact O-CB 3.43Å; W230-R234 PolarHBondContact O-N 3.48Å; W230-F235 HydrophobicContact CE3-CE2 4.24Å; W230-F235 HydrophobicContact CH2-CE2 4.05Å; W230-F235 HydrophobicContact CH2-CZ 4.01Å; W230-F235 HydrophobicContact CZ3-CD2 4.41Å; W230-F235 AromaticContact CZ3-CE2 3.47Å; W230-F235 HydrophobicContact CZ3-CE2 3.47Å; W230-F235 VanDerWaalsContact CZ3-CE2 3.47Å; W230-F235 AromaticContact CZ3-CZ 3.9Å; W230-F235 HydrophobicContact CZ3-CZ 3.9Å
231	I	90.6	Very high	87.2	Confident	35 Å²	35	80.9 Å²	80.9	18%	0.179	37%	0.368	C	S	.	.	H	α-helix	trans	-55.2	-52.4	177.5	-67.6	168	0	0	0	110.6	W98 Q227 V228 N233 R234 F235	W98-I231 HydrophobicContact CD2-CG2 3.89Å; W98-I231 HydrophobicContact CE3-CG2 4.03Å; W98-I231 HydrophobicContact CG-CD1 4.34Å; W98-I231 HydrophobicContact CG-CG2 4.26Å; W98-I231 HydrophobicContact CZ3-CG2 4.49Å; Q227-I231 WeakPolarHBondContact O-CG1 3.48Å; Q227-I231 PolarHBondContact O-N 3.4Å; V228-I231 PolarHBondContact O-N 3.06Å; I231-N233 PolarHBondContact O-N 3.31Å; I231-R234 PolarHBondContact O-N 3.42Å; I231-F235 HydrophobicContact CG2-CD2 4.25Å; I231-F235 PolarHBondContact O-N 3.15Å
232	R	89.7	Confident	85.9	Confident	103 Å²	103	79.5 Å²	79.5	39%	0.389	37%	0.368	S	S	.	.	I	π-helix	trans	-59	-48	-179.6	-69.1	175.8	67.7	90.2	0.9	112.4	W98 V228 W230 L236 R237 L315	W98-R232 HydrophobicContact CH2-CG 4.21Å; V228-R232 WeakPolarHBondContact O-CG 3.22Å; V228-R232 PolarHBondContact O-N 3.26Å; W230-R232 PolarHBondContact O-N 3.4Å; R232-L236 HydrophobicContact CG-CD1 4.26Å; R232-L236 WeakPolarHBondContact O-CB 3.16Å; R232-L236 PolarHBondContact O-N 3.47Å; R232-R237 PolarHBondContact O-N 3.04Å; R232-L315 HydrophobicContact CB-CD1 4.37Å
233	N	83.3	Confident	85.2	Confident	59 Å²	59	76.9 Å²	76.9	32%	0.316	36%	0.359	S	S	.	.	I	π-helix	trans	-78.2	-25.9	-177	-65.9	-51.1	0	0	0	112.8	S229 W230 I231 R237	S229-N233 WeakPolarHBondContact O-CB 3.34Å; S229-N233 VanDerWaalsContact O-CG 3.29Å; S229-N233 PolarHBondContact O-N 2.81Å; S229-N233 PolarHBondContact O-ND2 2.72Å; S229-N233 PolarHBondContact OG-ND2 3.15Å; S229-N233 VanDerWaalsContact OG-ND2 3.16Å; W230-N233 PolarHBondContact O-N 3.03Å; I231-N233 PolarHBondContact O-N 3.31Å; N233-R237 WeakPolarHBondContact OD1-CD 3.11Å; N233-R237 PolarHBondContact OD1-NE 2.9Å
234	R	82.8	Confident	84.8	Confident	90 Å²	90	72.3 Å²	72.3	34%	0.34	34%	0.343	S	S	.	.	I	π-helix	trans	-90.1	-36.6	-174.6	-177	60.1	164.8	-176.4	-6.3	113.3	S85 W230 I231 R238	S85-R234 PolarHBondContact OG-NH1 2.75Å; S85-R234 PolarHBondContact OG-NH2 3.42Å; W230-R234 HydrophobicContact CD2-CB 4.08Å; W230-R234 HydrophobicContact CD2-CG 4.34Å; W230-R234 HydrophobicContact CE3-CB 4.29Å; W230-R234 HydrophobicContact CE3-CG 4.49Å; W230-R234 HydrophobicContact CH2-CG 3.94Å; W230-R234 HydrophobicContact CZ2-CB 4.4Å; W230-R234 HydrophobicContact CZ2-CG 3.75Å; W230-R234 HydrophobicContact CZ3-CG 4.31Å; W230-R234 WeakPolarHBondContact O-CA 3.34Å; W230-R234 WeakPolarHBondContact O-CB 3.43Å; W230-R234 PolarHBondContact O-N 3.48Å; I231-R234 PolarHBondContact O-N 3.42Å; R234-R238 WeakPolarHBondContact O-CD 3.48Å; R234-R238 WeakPolarHBondContact O-CG 3.16Å; R234-R238 PolarHBondContact O-NE 3.35Å
235	F	86.5	Confident	84.6	Confident	34 Å²	34	74 Å²	74	15%	0.149	35%	0.353	C	S	.	.	I	π-helix	trans	-109.4	-47.2	-176.1	-61.9	-63.6	0	0	0	111.9	I96 W230 I231 V246	I96-F235 HydrophobicContact CD1-CB 4.43Å; I96-F235 HydrophobicContact CD1-CD1 3.46Å; I96-F235 VanDerWaalsContact CD1-CD1 3.46Å; I96-F235 HydrophobicContact CD1-CD2 3.96Å; I96-F235 HydrophobicContact CD1-CE1 3.5Å; I96-F235 HydrophobicContact CD1-CE2 3.97Å; I96-F235 HydrophobicContact CD1-CG 3.7Å; I96-F235 HydrophobicContact CD1-CZ 3.76Å; W230-F235 HydrophobicContact CE3-CE2 4.24Å; W230-F235 HydrophobicContact CH2-CE2 4.05Å; W230-F235 HydrophobicContact CH2-CZ 4.01Å; W230-F235 HydrophobicContact CZ3-CD2 4.41Å; W230-F235 AromaticContact CZ3-CE2 3.47Å; W230-F235 HydrophobicContact CZ3-CE2 3.47Å; W230-F235 VanDerWaalsContact CZ3-CE2 3.47Å; W230-F235 AromaticContact CZ3-CZ 3.9Å; W230-F235 HydrophobicContact CZ3-CZ 3.9Å; I231-F235 HydrophobicContact CG2-CD2 4.25Å; I231-F235 PolarHBondContact O-N 3.15Å; F235-V246 HydrophobicContact CB-CG2 3.77Å
236	L	86.9	Confident	84.5	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.016	33%	0.327	C	S	.	.	I	π-helix	trans	-77.7	-24.9	-175.6	-52.7	-178.6	0	0	0	113.7	W98 R232 V246 E312 F314 L315	W98-L236 HydrophobicContact CZ3-CD1 4.17Å; R232-L236 HydrophobicContact CG-CD1 4.26Å; R232-L236 WeakPolarHBondContact O-CB 3.16Å; R232-L236 PolarHBondContact O-N 3.47Å; L236-V246 HydrophobicContact CD2-CB 3.78Å; L236-V246 HydrophobicContact CD2-CG1 4.25Å; L236-V246 HydrophobicContact CD2-CG2 3.79Å; L236-E312 HydrophobicContact CD2-CB 3.81Å; L236-F314 CarbonylContact O-C 3.44Å; L236-F314 WeakPolarHBondContact O-CA 3.08Å; L236-L315 HydrophobicContact CB-CB 4.46Å; L236-L315 HydrophobicContact CB-CD1 4.05Å; L236-L315 HydrophobicContact CB-CG 3.98Å; L236-L315 HydrophobicContact CD1-CD1 4.33Å; L236-L315 PolarHBondContact O-N 3.46Å
237	R	80.1	Confident	84.5	Confident	73 Å²	73	60.7 Å²	60.7	28%	0.275	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	13.8	176.2	-67.8	-172.5	-172.4	-86.6	0.5	114.4	R232 N233 L315 L316	R232-R237 PolarHBondContact O-N 3.04Å; N233-R237 WeakPolarHBondContact OD1-CD 3.11Å; N233-R237 PolarHBondContact OD1-NE 2.9Å; R237-L315 HydrophobicContact CG-CB 3.69Å; R237-L315 HydrophobicContact CG-CD1 4.3Å; R237-L316 PolarHBondContact NH1-O 3.5Å
238	R	73.1	Confident	84.5	Confident	33 Å²	33	61.6 Å²	61.6	13%	0.125	30%	0.302	C	S	.	.	S	Bend	trans	-74.5	151.8	177.3	-74.2	-178.6	171.5	-132.3	-8	111.3	S85 I86 R234 G242	S85-R238 PolarHBondContact O-NH1 3.23Å; S85-R238 PolarHBondContact O-NH2 3.03Å; I86-R238 PolarHBondContact O-NH1 3.03Å; R234-R238 WeakPolarHBondContact O-CD 3.48Å; R234-R238 WeakPolarHBondContact O-CG 3.16Å; R234-R238 PolarHBondContact O-NE 3.35Å; R238-G242 PolarHBondContact NH1-O 2.9Å
239	P	69.3	Low	84.5	Confident	82 Å²	82	59.6 Å²	59.6	53%	0.532	29%	0.29	S	S	.	.			trans	-53	146.3	159.8	-21.5	33.3	0	0	0	110.6	E241 S243	P239-E241 PolarHBondContact O-N 2.75Å; P239-S243 PolarHBondContact O-N 3.34Å
240	V	71.5	Confident	84.7	Confident	107 Å²	107	60.9 Å²	60.9	65%	0.648	29%	0.292	S	S	*	.	S	Bend	trans	-58.6	-40.4	179.8	179	0	0	0	0	110.3	G242 S243 F314	V240-G242 PolarHBondContact O-N 3.1Å; V240-S243 WeakPolarHBondContact O-CB 3.42Å; V240-S243 PolarHBondContact O-N 2.76Å; V240-S243 PolarHBondContact O-OG 3.39Å; V240-F314 HydrophobicContact CG2-CD2 4.33Å
241	E	69.1	Low	84.9	Confident	178 Å²	178	54.7 Å²	54.7	83%	0.832	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	98.4	173.9	-164.8	170.9	-168.8	0	0	110.1	P239	P239-E241 PolarHBondContact O-N 2.75Å
242	G	70.8	Confident	85.1	Confident	18 Å²	18	54 Å²	54	19%	0.186	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.5	11.1	-173.8	0	0	0	0	0	115.2	I86 P88 R238 V240	I86-G242 WeakPolarHBondContact O-CA 3.38Å; I86-G242 VanDerWaalsContact O-O 3.1Å; P88-G242 WeakPolarHBondContact CD-O 3.47Å; R238-G242 PolarHBondContact NH1-O 2.9Å; V240-G242 PolarHBondContact O-N 3.1Å
243	S	82	Confident	85.3	Confident	29 Å²	29	54 Å²	54	20%	0.203	28%	0.276	C	S	.	.			trans	-70.8	155.1	170.3	65.2	0	0	0	0	112.2	P239 V240 F314	P239-S243 PolarHBondContact O-N 3.34Å; V240-S243 WeakPolarHBondContact O-CB 3.42Å; V240-S243 PolarHBondContact O-N 2.76Å; V240-S243 PolarHBondContact O-OG 3.39Å; S243-F314 WeakPolarHBondContact OG-CZ 3.34Å
244	I	88.2	Confident	85.8	Confident	25 Å²	25	54.4 Å²	54.4	13%	0.128	27%	0.274	C	S	.	.			trans	-119.8	126.4	172	-58	175.3	0	0	0	105.3	P88 S94 I96 V246	P88-I244 HydrophobicContact CB-CD1 3.95Å; P88-I244 HydrophobicContact CB-CG1 3.93Å; P88-I244 HydrophobicContact CG-CG1 4.31Å; S94-I244 WeakPolarHBondContact O-CG2 3.48Å; I96-I244 HydrophobicContact CD1-CB 4.11Å; I96-I244 HydrophobicContact CD1-CD1 4.44Å; I96-I244 HydrophobicContact CD1-CG2 3.87Å; I96-I244 HydrophobicContact CG1-CG2 3.81Å; I244-V246 PolarHBondContact O-N 3.43Å
245	P	91	Very high	86.2	Confident	45 Å²	45	52.1 Å²	52.1	29%	0.292	27%	0.269	S	S	.	.			trans	-60.7	131.5	178.4	25.9	-34.4	0	0	0	110.1	S94 L95 I96 Y247 A311	S94-P245 WeakPolarHBondContact O-CD 3.41Å; L95-P245 HydrophobicContact CB-CG 4.1Å; I96-P245 PolarHBondContact N-O 3.05Å; P245-Y247 HydrophobicContact CB-CE2 3.8Å; P245-Y247 HydrophobicContact CG-CE2 4.24Å; P245-A311 HydrophobicContact CB-CB 4.35Å
246	V	93.7	Very high	86.4	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.3	179.1	-177.7	0	0	0	0	107.9	I96 W98 F235 L236 I244 A311 E312	I96-V246 HydrophobicContact CB-CB 4.49Å; I96-V246 HydrophobicContact CB-CG1 4.42Å; I96-V246 HydrophobicContact CB-CG2 4.15Å; I96-V246 HydrophobicContact CD1-CG2 4.16Å; I96-V246 HydrophobicContact CG2-CG1 4.14Å; I96-V246 HydrophobicContact CG2-CG2 4.46Å; I96-V246 CarbonylContact O-C 3.55Å; I96-V246 WeakPolarHBondContact O-CA 3.33Å; W98-V246 HydrophobicContact CB-CG1 3.87Å; W98-V246 HydrophobicContact CE3-CG1 4.14Å; F235-V246 HydrophobicContact CB-CG2 3.77Å; L236-V246 HydrophobicContact CD2-CB 3.78Å; L236-V246 HydrophobicContact CD2-CG1 4.25Å; L236-V246 HydrophobicContact CD2-CG2 3.79Å; I244-V246 PolarHBondContact O-N 3.43Å; V246-A311 CarbonylContact O-C 3.6Å; V246-A311 WeakPolarHBondContact O-CA 3.15Å; V246-E312 WeakPolarHBondContact O-CB 3.45Å; V246-E312 PolarHBondContact O-N 3.02Å
247	Y	95.5	Very high	86.4	Confident	19 Å²	19	58.9 Å²	58.9	8%	0.075	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119	176.7	-62.5	-97	0	0	0	108.4	L95 I96 W98 P245 L274 E278 A311	L95-Y247 HydrophobicContact CB-CD2 4.37Å; L95-Y247 HydrophobicContact CB-CE2 4.05Å; I96-Y247 PolarHBondContact O-N 3.43Å; W98-Y247 PolarHBondContact N-O 3.34Å; P245-Y247 HydrophobicContact CB-CE2 3.8Å; P245-Y247 HydrophobicContact CG-CE2 4.24Å; Y247-L274 HydrophobicContact CD1-CD1 3.47Å; Y247-L274 VanDerWaalsContact CD1-CD1 3.47Å; Y247-L274 HydrophobicContact CD1-CD2 3.56Å; Y247-L274 HydrophobicContact CD1-CG 4.16Å; Y247-L274 HydrophobicContact CD2-CD1 4.33Å; Y247-L274 HydrophobicContact CD2-CD2 3.81Å; Y247-L274 HydrophobicContact CE1-CD1 3.22Å; Y247-L274 HydrophobicContact CE1-CD2 4.18Å; Y247-L274 HydrophobicContact CE1-CG 4.32Å; Y247-L274 HydrophobicContact CE2-CD1 4.15Å; Y247-L274 HydrophobicContact CE2-CD2 4.41Å; Y247-L274 HydrophobicContact CG-CD1 4.02Å; Y247-L274 HydrophobicContact CG-CD2 3.34Å; Y247-L274 HydrophobicContact CG-CG 4.31Å; Y247-E278 PolarHBondContact OH-OE1 3.02Å; Y247-A311 HydrophobicContact CD1-CB 4.32Å; Y247-A311 HydrophobicContact CE1-CB 3.93Å
248	R	94.6	Very high	86.4	Confident	108 Å²	108	64.9 Å²	64.9	41%	0.408	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	126.6	179.1	-172.2	165	64.3	124.3	6.1	109.8	W98 D100 E312	W98-R248 HydrophobicContact CD2-CG 4.42Å; W98-R248 HydrophobicContact CE3-CB 4.3Å; W98-R248 HydrophobicContact CE3-CG 4.18Å; W98-R248 HydrophobicContact CZ3-CG 4.47Å; W98-R248 CarbonylContact O-C 3.59Å; W98-R248 WeakPolarHBondContact O-CA 3.42Å; D100-R248 HydrophobicContact CB-CG 3.57Å; D100-R248 WeakPolarHBondContact OD2-CD 3.41Å; D100-R248 IonicContact OD2-NH1 2.61Å; D100-R248 PolarHBondContact OD2-NH1 3.42Å; D100-R248 VanDerWaalsContact OD2-NH1 3.14Å; R248-E312 HydrophobicContact CB-CG 3.78Å; R248-E312 WeakPolarHBondContact CB-OE1 3.33Å; R248-E312 WeakPolarHBondContact CD-OE1 3.46Å; R248-E312 IonicContact CZ-OE1 3.35Å; R248-E312 IonicContact NE-OE1 2.79Å; R248-E312 PolarHBondContact NE-OE1 3.01Å; R248-E312 IonicContact NH2-OE1 3.6Å
249	I	95	Very high	87.1	Confident	4 Å²	4	65.6 Å²	65.6	2%	0.021	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	112.1	175.9	-53.1	-61	0	0	0	106.6	W98 L99 D100 V251 I267 P309	W98-I249 PolarHBondContact O-N 3.33Å; L99-I249 WeakPolarHBondContact CA-O 3.38Å; L99-I249 HydrophobicContact CD2-CB 3.95Å; L99-I249 HydrophobicContact CD2-CG2 4.14Å; D100-I249 PolarHBondContact N-O 2.82Å; I249-V251 PolarHBondContact O-N 3.16Å; I249-I267 HydrophobicContact CG2-CB 4.42Å; I249-I267 HydrophobicContact CG2-CG1 4.3Å; I249-I267 HydrophobicContact CG2-CG2 4.16Å; I249-P309 HydrophobicContact CD1-CB 3.95Å; I249-P309 HydrophobicContact CD1-CG 3.66Å
250	D	94.1	Very high	87.6	Confident	86 Å²	86	66.2 Å²	66.2	46%	0.46	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	116.3	-179.1	-164.2	-22.3	0	0	0	110.1	T252	D250-T252 WeakPolarHBondContact OD1-CB 3.43Å; D250-T252 PolarHBondContact OD1-N 3.33Å; D250-T252 PolarHBondContact OD1-OG1 2.88Å
251	V	95	Very high	88.3	Confident	15 Å²	15	65.5 Å²	65.5	9%	0.091	35%	0.348	C	S	.	.			trans	-101.8	9.8	179.1	-50.6	0	0	0	0	112.6	L99 D100 C101 I249 D253 F254 L255 I267	L99-V251 HydrophobicContact CB-CG1 4.06Å; L99-V251 HydrophobicContact CD2-CG1 4.02Å; L99-V251 HydrophobicContact CG-CG1 4.49Å; D100-V251 WeakPolarHBondContact O-CG2 3.47Å; D100-V251 PolarHBondContact O-N 3.47Å; C101-V251 HydrophobicContact CB-CG2 3.86Å; I249-V251 PolarHBondContact O-N 3.16Å; V251-D253 PolarHBondContact O-N 2.87Å; V251-F254 PolarHBondContact O-N 3.36Å; V251-L255 HydrophobicContact CG2-CD1 3.84Å; V251-L255 HydrophobicContact CG2-CG 4.24Å; V251-L255 WeakPolarHBondContact O-CG 3.26Å; V251-L255 PolarHBondContact O-N 3.02Å; V251-I267 HydrophobicContact CB-CD1 3.81Å; V251-I267 HydrophobicContact CG1-CD1 3.54Å; V251-I267 HydrophobicContact CG1-CG1 3.97Å
252	T	95.2	Very high	89.4	Confident	20 Å²	20	58.7 Å²	58.7	12%	0.123	32%	0.318	C	S	.	.	H	α-helix	trans	-57.2	-52.6	-176.2	-57.9	0	0	0	0	111.6	A102 V105 D250 F254 L255 D256	A102-T252 HydrophobicContact CB-CG2 3.6Å; A102-T252 PolarHBondContact N-OG1 3.28Å; V105-T252 HydrophobicContact CB-CG2 4.17Å; V105-T252 HydrophobicContact CG1-CG2 4.43Å; V105-T252 HydrophobicContact CG2-CG2 3.78Å; D250-T252 WeakPolarHBondContact OD1-CB 3.43Å; D250-T252 PolarHBondContact OD1-N 3.33Å; D250-T252 PolarHBondContact OD1-OG1 2.88Å; T252-F254 VanDerWaalsContact C-N 3.29Å; T252-F254 PolarHBondContact O-N 2.97Å; T252-L255 CarbonylContact O-C 3.55Å; T252-L255 PolarHBondContact O-N 3.28Å; T252-D256 PolarHBondContact O-N 3.04Å
253	D	92.8	Very high	90.4	Very high	104 Å²	104	62.1 Å²	62.1	56%	0.556	33%	0.325	S	S	*	.	H	α-helix	trans	-63.1	-36.3	-178.6	-64.4	-11.4	0	0	0	112.3	V251 L255 D256 S257 I262	V251-D253 PolarHBondContact O-N 2.87Å; D253-L255 VanDerWaalsContact C-N 3.32Å; D253-L255 PolarHBondContact O-N 3.35Å; D253-D256 PolarHBondContact O-N 3.05Å; D253-S257 WeakPolarHBondContact O-CB 3.48Å; D253-S257 PolarHBondContact O-N 2.92Å; D253-I262 HydrophobicContact CB-CG2 4.21Å
254	F	93.8	Very high	90.9	Very high	67 Å²	67	64.4 Å²	64.4	29%	0.294	33%	0.332	S	S	.	.	H	α-helix	trans	-64.6	-39	175.5	167.5	-107.4	0	0	0	111.6	V251 T252 I262 W263 I267	V251-F254 PolarHBondContact O-N 3.36Å; T252-F254 VanDerWaalsContact C-N 3.29Å; T252-F254 PolarHBondContact O-N 2.97Å; F254-I262 HydrophobicContact CB-CG2 4.02Å; F254-W263 AromaticContact CD1-CE3 3.78Å; F254-W263 HydrophobicContact CD1-CE3 3.78Å; F254-W263 HydrophobicContact CD1-CZ3 4.06Å; F254-W263 HydrophobicContact CD2-CB 3.78Å; F254-W263 AromaticContact CD2-CE3 3.86Å; F254-W263 HydrophobicContact CD2-CE3 3.86Å; F254-W263 AromaticContact CE1-CE3 3.59Å; F254-W263 HydrophobicContact CE1-CE3 3.59Å; F254-W263 AromaticContact CE1-CZ3 3.8Å; F254-W263 HydrophobicContact CE1-CZ3 3.8Å; F254-W263 HydrophobicContact CE2-CB 3.75Å; F254-W263 HydrophobicContact CE2-CD2 4.22Å; F254-W263 AromaticContact CE2-CE3 3.67Å; F254-W263 HydrophobicContact CE2-CE3 3.67Å; F254-W263 HydrophobicContact CE2-CG 4.29Å; F254-W263 AromaticContact CG-CE3 3.9Å; F254-W263 HydrophobicContact CG-CE3 3.9Å; F254-W263 HydrophobicContact CZ-CD2 4.33Å; F254-W263 AromaticContact CZ-CE3 3.53Å; F254-W263 HydrophobicContact CZ-CE3 3.53Å; F254-W263 HydrophobicContact CZ-CZ3 4.12Å; F254-I267 HydrophobicContact CB-CD1 3.62Å; F254-I267 HydrophobicContact CD1-CD1 3.91Å; F254-I267 HydrophobicContact CG-CD1 3.76Å
255	L	92.6	Very high	91.1	Very high	43 Å²	43	69.1 Å²	69.1	23%	0.225	35%	0.352	C	S	.	.	H	α-helix	trans	-80.5	-20.8	-179.7	-72.9	-176.4	0	0	0	113.6	C101 V105 Q109 V251 T252 D253	C101-L255 HydrophobicContact CB-CD1 4.24Å; V105-L255 HydrophobicContact CG1-CB 3.77Å; Q109-L255 HydrophobicContact CG-CB 4.11Å; Q109-L255 HydrophobicContact CG-CD2 4.35Å; Q109-L255 PolarHBondContact NE2-O 3.31Å; V251-L255 HydrophobicContact CG2-CD1 3.84Å; V251-L255 HydrophobicContact CG2-CG 4.24Å; V251-L255 WeakPolarHBondContact O-CG 3.26Å; V251-L255 PolarHBondContact O-N 3.02Å; T252-L255 CarbonylContact O-C 3.55Å; T252-L255 PolarHBondContact O-N 3.28Å; D253-L255 VanDerWaalsContact C-N 3.32Å; D253-L255 PolarHBondContact O-N 3.35Å
256	D	89.3	Confident	91.1	Very high	126 Å²	126	69.2 Å²	69.2	67%	0.674	35%	0.351	S	S	*	.	H	α-helix	trans	-92.7	-18.7	176.7	-156.5	42	0	0	0	112.8	V105 T252 D253	V105-D256 HydrophobicContact CG1-CB 4.13Å; V105-D256 HydrophobicContact CG2-CB 4.46Å; T252-D256 PolarHBondContact O-N 3.04Å; D253-D256 PolarHBondContact O-N 3.05Å
257	S	87.8	Confident	91.1	Very high	53 Å²	53	69.3 Å²	69.3	37%	0.371	35%	0.352	S	S	.	.			trans	-98.4	154.6	-178.6	-166.9	0	0	0	0	114.2	D253 S259 I262	D253-S257 WeakPolarHBondContact O-CB 3.48Å; D253-S257 PolarHBondContact O-N 2.92Å; S257-S259 PolarHBondContact OG-N 2.8Å; S257-S259 VanDerWaalsContact OG-N 3.15Å; S257-I262 WeakPolarHBondContact OG-CD1 3.46Å
258	E	80.9	Confident	91.1	Very high	199 Å²	199	70.4 Å²	70.4	93%	0.93	36%	0.359	S	S	*	.			trans	-93	-5.5	170	-60.8	-175	169.9	0	0	112.6
259	S	86.8	Confident	91.1	Very high	47 Å²	47	65.3 Å²	65.3	33%	0.329	34%	0.339	S	S	.	.			trans	-80.9	122.1	-176.3	179.9	0	0	0	0	112.3	S257 D261 I262	S257-S259 PolarHBondContact OG-N 2.8Å; S257-S259 VanDerWaalsContact OG-N 3.15Å; S259-D261 PolarHBondContact O-N 2.79Å; S259-I262 PolarHBondContact O-N 3.16Å
260	P	79.6	Confident	91.2	Very high	95 Å²	95	65.9 Å²	65.9	62%	0.617	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.5	178.8	28.4	-34.9	0	0	0	113.3	I262	P260-I262 VanDerWaalsContact C-N 3.29Å; P260-I262 PolarHBondContact O-N 3.08Å
261	D	87.1	Confident	91.3	Very high	92 Å²	92	62.9 Å²	62.9	49%	0.492	33%	0.328	S	S	.	.	H	α-helix	trans	-72.2	-23.9	-177	-67.3	-15.1	0	0	0	112.7	S259 W263 H264 K265	S259-D261 PolarHBondContact O-N 2.79Å; D261-W263 VanDerWaalsContact C-N 3.3Å; D261-W263 PolarHBondContact O-N 3.42Å; D261-H264 PolarHBondContact O-N 3.43Å; D261-K265 PolarHBondContact O-N 3.31Å
262	I	92	Very high	91.3	Very high	36 Å²	36	63.8 Å²	63.8	19%	0.185	33%	0.334	C	S	.	.	H	α-helix	trans	-64.6	-38.7	-177.9	-69.2	166.3	0	0	0	110.4	D253 F254 S257 S259 P260 H264 K265 T266	D253-I262 HydrophobicContact CB-CG2 4.21Å; F254-I262 HydrophobicContact CB-CG2 4.02Å; S257-I262 WeakPolarHBondContact OG-CD1 3.46Å; S259-I262 PolarHBondContact O-N 3.16Å; P260-I262 VanDerWaalsContact C-N 3.29Å; P260-I262 PolarHBondContact O-N 3.08Å; I262-H264 VanDerWaalsContact C-N 3.28Å; I262-H264 PolarHBondContact O-N 2.82Å; I262-K265 PolarHBondContact O-N 3.21Å; I262-K265 VanDerWaalsContact O-N 3.15Å; I262-T266 HydrophobicContact CG2-CG2 3.88Å; I262-T266 WeakPolarHBondContact CG2-OG1 3.44Å; I262-T266 PolarHBondContact O-N 3.37Å; I262-T266 PolarHBondContact O-OG1 3.18Å
263	W	91	Very high	91.2	Very high	90 Å²	90	64.3 Å²	64.3	34%	0.341	33%	0.334	S	S	.	.	I	π-helix	trans	-53.2	-46.6	176.2	177.7	-101.1	0	0	0	112.4	F254 D261 I267 I268	F254-W263 AromaticContact CD1-CE3 3.78Å; F254-W263 HydrophobicContact CD1-CE3 3.78Å; F254-W263 HydrophobicContact CD1-CZ3 4.06Å; F254-W263 HydrophobicContact CD2-CB 3.78Å; F254-W263 AromaticContact CD2-CE3 3.86Å; F254-W263 HydrophobicContact CD2-CE3 3.86Å; F254-W263 AromaticContact CE1-CE3 3.59Å; F254-W263 HydrophobicContact CE1-CE3 3.59Å; F254-W263 AromaticContact CE1-CZ3 3.8Å; F254-W263 HydrophobicContact CE1-CZ3 3.8Å; F254-W263 HydrophobicContact CE2-CB 3.75Å; F254-W263 HydrophobicContact CE2-CD2 4.22Å; F254-W263 AromaticContact CE2-CE3 3.67Å; F254-W263 HydrophobicContact CE2-CE3 3.67Å; F254-W263 HydrophobicContact CE2-CG 4.29Å; F254-W263 AromaticContact CG-CE3 3.9Å; F254-W263 HydrophobicContact CG-CE3 3.9Å; F254-W263 HydrophobicContact CZ-CD2 4.33Å; F254-W263 AromaticContact CZ-CE3 3.53Å; F254-W263 HydrophobicContact CZ-CE3 3.53Å; F254-W263 HydrophobicContact CZ-CZ3 4.12Å; D261-W263 VanDerWaalsContact C-N 3.3Å; D261-W263 PolarHBondContact O-N 3.42Å; W263-I267 HydrophobicContact CD2-CB 4.48Å; W263-I267 HydrophobicContact CD2-CD1 4.27Å; W263-I267 HydrophobicContact CE3-CB 4.28Å; W263-I267 HydrophobicContact CE3-CD1 3.35Å; W263-I267 HydrophobicContact CE3-CG1 4.37Å; W263-I267 HydrophobicContact CE3-CG2 4.34Å; W263-I267 HydrophobicContact CH2-CD1 4.47Å; W263-I267 HydrophobicContact CH2-CG2 3.99Å; W263-I267 HydrophobicContact CZ2-CG2 4.3Å; W263-I267 HydrophobicContact CZ3-CB 4.43Å; W263-I267 HydrophobicContact CZ3-CD1 3.47Å; W263-I267 VanDerWaalsContact CZ3-CD1 3.47Å; W263-I267 HydrophobicContact CZ3-CG2 4.02Å; W263-I267 WeakPolarHBondContact O-CB 3.45Å; W263-I267 PolarHBondContact O-N 2.97Å; W263-I268 HydrophobicContact CG-CG1 4.36Å; W263-I268 HydrophobicContact CZ2-CD1 3.81Å; W263-I268 HydrophobicContact CZ2-CG1 4.37Å; W263-I268 PolarHBondContact O-N 3.36Å
264	H	92.2	Very high	91.3	Very high	76 Å²	76	59.4 Å²	59.4	35%	0.352	31%	0.308	S	S	.	.	I	π-helix	trans	-67.2	-43.3	179.9	-70.4	90	0	0	0	111.6	D261 I262 A269	D261-H264 PolarHBondContact O-N 3.43Å; I262-H264 VanDerWaalsContact C-N 3.28Å; I262-H264 PolarHBondContact O-N 2.82Å; H264-A269 VanDerWaalsContact O-CB 3.26Å; H264-A269 WeakPolarHBondContact O-CB 3.39Å; H264-A269 PolarHBondContact O-N 2.88Å
265	K	92.6	Very high	91.3	Very high	124 Å²	124	59.6 Å²	59.6	54%	0.539	31%	0.311	S	S	.	.	I	π-helix	trans	-74.8	-44.1	-174.6	-68.7	178.3	-178.9	174.5	0	114.2	D261 I262 P270 I302	D261-K265 PolarHBondContact O-N 3.31Å; I262-K265 PolarHBondContact O-N 3.21Å; I262-K265 VanDerWaalsContact O-N 3.15Å; K265-P270 WeakPolarHBondContact O-CD 3.36Å; K265-I302 HydrophobicContact CB-CG2 4.25Å; K265-I302 HydrophobicContact CG-CG2 4.07Å
266	T	91.9	Very high	91.3	Very high	47 Å²	47	60.2 Å²	60.2	29%	0.288	31%	0.311	S	S	.	.	I	π-helix	trans	-99	-20.3	-170.6	65	0	0	0	0	113.5	I262 P270	I262-T266 HydrophobicContact CG2-CG2 3.88Å; I262-T266 WeakPolarHBondContact CG2-OG1 3.44Å; I262-T266 PolarHBondContact O-N 3.37Å; I262-T266 PolarHBondContact O-OG1 3.18Å; T266-P270 WeakPolarHBondContact O-CG 3.3Å
267	I	94	Very high	91.4	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.026	29%	0.286	C	S	.	.	I	π-helix	trans	-117	-60.7	-174.5	-59	169.5	0	0	0	111	I249 V251 F254 W263 T271	I249-I267 HydrophobicContact CG2-CB 4.42Å; I249-I267 HydrophobicContact CG2-CG1 4.3Å; I249-I267 HydrophobicContact CG2-CG2 4.16Å; V251-I267 HydrophobicContact CB-CD1 3.81Å; V251-I267 HydrophobicContact CG1-CD1 3.54Å; V251-I267 HydrophobicContact CG1-CG1 3.97Å; F254-I267 HydrophobicContact CB-CD1 3.62Å; F254-I267 HydrophobicContact CD1-CD1 3.91Å; F254-I267 HydrophobicContact CG-CD1 3.76Å; W263-I267 HydrophobicContact CD2-CB 4.48Å; W263-I267 HydrophobicContact CD2-CD1 4.27Å; W263-I267 HydrophobicContact CE3-CB 4.28Å; W263-I267 HydrophobicContact CE3-CD1 3.35Å; W263-I267 HydrophobicContact CE3-CG1 4.37Å; W263-I267 HydrophobicContact CE3-CG2 4.34Å; W263-I267 HydrophobicContact CH2-CD1 4.47Å; W263-I267 HydrophobicContact CH2-CG2 3.99Å; W263-I267 HydrophobicContact CZ2-CG2 4.3Å; W263-I267 HydrophobicContact CZ3-CB 4.43Å; W263-I267 HydrophobicContact CZ3-CD1 3.47Å; W263-I267 VanDerWaalsContact CZ3-CD1 3.47Å; W263-I267 HydrophobicContact CZ3-CG2 4.02Å; W263-I267 WeakPolarHBondContact O-CB 3.45Å; W263-I267 PolarHBondContact O-N 2.97Å; I267-T271 WeakPolarHBondContact O-CB 3.31Å; I267-T271 PolarHBondContact O-N 3.42Å; I267-T271 VanDerWaalsContact O-N 3.09Å; I267-T271 PolarHBondContact O-OG1 2.88Å
268	I	95	Very high	91.5	Very high	42 Å²	42	55.2 Å²	55.2	22%	0.215	28%	0.278	C	S	.	.	I	π-helix	trans	-67.9	-53.8	-173.4	-62.1	-61.6	0	0	0	111.7	W263 T271 V272 L299	W263-I268 HydrophobicContact CG-CG1 4.36Å; W263-I268 HydrophobicContact CZ2-CD1 3.81Å; W263-I268 HydrophobicContact CZ2-CG1 4.37Å; W263-I268 PolarHBondContact O-N 3.36Å; I268-T271 PolarHBondContact O-N 3.21Å; I268-V272 HydrophobicContact CG2-CG2 4.05Å; I268-V272 WeakPolarHBondContact O-CB 3.36Å; I268-V272 WeakPolarHBondContact O-CG2 3.43Å; I268-V272 PolarHBondContact O-N 3.27Å; I268-L299 HydrophobicContact CG2-CD1 3.98Å; I268-L299 HydrophobicContact CG2-CD2 3.9Å
269	A	95.1	Very high	91.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.3	-47.6	-177.5	0	0	0	0	0	112.7	H264 T271 V272 R273 L299 I302 C303	H264-A269 VanDerWaalsContact O-CB 3.26Å; H264-A269 WeakPolarHBondContact O-CB 3.39Å; H264-A269 PolarHBondContact O-N 2.88Å; A269-T271 PolarHBondContact O-N 2.83Å; A269-V272 PolarHBondContact O-N 3.27Å; A269-R273 WeakPolarHBondContact O-CB 3.35Å; A269-R273 PolarHBondContact O-N 3.39Å; A269-L299 HydrophobicContact CB-CD2 4.26Å; A269-L299 VanDerWaalsContact CB-O 3.31Å; A269-L299 WeakPolarHBondContact CB-O 3.33Å; A269-I302 HydrophobicContact CB-CB 3.75Å; A269-I302 HydrophobicContact CB-CG2 3.45Å; A269-I302 VanDerWaalsContact CB-CG2 3.45Å; A269-C303 HydrophobicContact CB-CB 3.93Å
270	P	95.7	Very high	91.9	Very high	17 Å²	17	50 Å²	50	11%	0.11	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-38.1	174.7	-26.2	37.5	0	0	0	113.9	K265 T266 L274 C303 P309	K265-P270 WeakPolarHBondContact O-CD 3.36Å; T266-P270 WeakPolarHBondContact O-CG 3.3Å; P270-L274 WeakPolarHBondContact O-CB 3.37Å; P270-L274 PolarHBondContact O-N 2.94Å; P270-C303 HydrophobicContact CG-CB 4.3Å; P270-P309 HydrophobicContact CB-CG 3.6Å
271	T	96.1	Very high	92.3	Very high	22 Å²	22	52.3 Å²	52.3	14%	0.135	25%	0.252	C	S	.	.	H	α-helix	trans	-66.6	-43.9	177.3	-60.9	0	0	0	0	111.6	L97 I267 I268 A269 L274 I275	L97-T271 HydrophobicContact CD1-CG2 3.56Å; L97-T271 HydrophobicContact CD2-CG2 4.49Å; I267-T271 WeakPolarHBondContact O-CB 3.31Å; I267-T271 PolarHBondContact O-N 3.42Å; I267-T271 VanDerWaalsContact O-N 3.09Å; I267-T271 PolarHBondContact O-OG1 2.88Å; I268-T271 PolarHBondContact O-N 3.21Å; A269-T271 PolarHBondContact O-N 2.83Å; T271-L274 PolarHBondContact O-N 2.84Å; T271-I275 HydrophobicContact CG2-CD1 3.9Å; T271-I275 WeakPolarHBondContact O-CG1 3.49Å; T271-I275 PolarHBondContact O-N 3Å
272	V	95	Very high	92.2	Very high	35 Å²	35	53.7 Å²	53.7	21%	0.212	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-44.1	178.1	168.6	0	0	0	0	110.7	I268 A269 L274 I275 Y276 L296 L299 L300	I268-V272 HydrophobicContact CG2-CG2 4.05Å; I268-V272 WeakPolarHBondContact O-CB 3.36Å; I268-V272 WeakPolarHBondContact O-CG2 3.43Å; I268-V272 PolarHBondContact O-N 3.27Å; A269-V272 PolarHBondContact O-N 3.27Å; V272-L274 VanDerWaalsContact C-N 3.3Å; V272-L274 PolarHBondContact O-N 3.34Å; V272-I275 PolarHBondContact O-N 2.82Å; V272-Y276 WeakPolarHBondContact O-CB 3.34Å; V272-Y276 PolarHBondContact O-N 3.37Å; V272-L296 HydrophobicContact CG1-CD1 3.63Å; V272-L299 HydrophobicContact CB-CD1 4.44Å; V272-L299 HydrophobicContact CG1-CB 4.37Å; V272-L299 HydrophobicContact CG1-CD1 4.31Å; V272-L299 HydrophobicContact CG2-CD1 4.07Å; V272-L300 HydrophobicContact CG1-CD2 4.42Å
273	R	95	Very high	91.8	Very high	30 Å²	30	55.1 Å²	55.1	11%	0.113	27%	0.266	C	S	.	.	H	α-helix	trans	-56.3	-45.6	173.8	174.5	60.8	70.8	178.9	10.2	111.6	A269 Y276 N277 L300 C303 C308	A269-R273 WeakPolarHBondContact O-CB 3.35Å; A269-R273 PolarHBondContact O-N 3.39Å; R273-Y276 PolarHBondContact O-N 3.18Å; R273-N277 WeakPolarHBondContact O-CB 3.43Å; R273-N277 VanDerWaalsContact O-CG 3.25Å; R273-N277 PolarHBondContact O-N 3.09Å; R273-N277 PolarHBondContact O-OD1 3Å; R273-L300 HydrophobicContact CB-CD2 4.33Å; R273-L300 VanDerWaalsContact NH2-C 3.26Å; R273-L300 PolarHBondContact NH2-O 2.85Å; R273-C303 HydrophobicContact CB-CB 4.26Å; R273-C303 PolarHBondContact NE-O 2.98Å; R273-C303 PolarHBondContact NH2-O 3.37Å; R273-C303 VanDerWaalsContact NH2-O 3.14Å; R273-C308 HydrophobicContact CG-CB 3.84Å
274	L	94.8	Very high	91.1	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-51.6	177.7	171	63.1	0	0	0	111.8	L97 Y247 P270 T271 V272 Y276 N277 E278	L97-L274 HydrophobicContact CD2-CD2 3.42Å; L97-L274 VanDerWaalsContact CD2-CD2 3.42Å; Y247-L274 HydrophobicContact CD1-CD1 3.47Å; Y247-L274 VanDerWaalsContact CD1-CD1 3.47Å; Y247-L274 HydrophobicContact CD1-CD2 3.56Å; Y247-L274 HydrophobicContact CD1-CG 4.16Å; Y247-L274 HydrophobicContact CD2-CD1 4.33Å; Y247-L274 HydrophobicContact CD2-CD2 3.81Å; Y247-L274 HydrophobicContact CE1-CD1 3.22Å; Y247-L274 HydrophobicContact CE1-CD2 4.18Å; Y247-L274 HydrophobicContact CE1-CG 4.32Å; Y247-L274 HydrophobicContact CE2-CD1 4.15Å; Y247-L274 HydrophobicContact CE2-CD2 4.41Å; Y247-L274 HydrophobicContact CG-CD1 4.02Å; Y247-L274 HydrophobicContact CG-CD2 3.34Å; Y247-L274 HydrophobicContact CG-CG 4.31Å; P270-L274 WeakPolarHBondContact O-CB 3.37Å; P270-L274 PolarHBondContact O-N 2.94Å; T271-L274 PolarHBondContact O-N 2.84Å; V272-L274 VanDerWaalsContact C-N 3.3Å; V272-L274 PolarHBondContact O-N 3.34Å; L274-Y276 VanDerWaalsContact C-N 3.3Å; L274-Y276 PolarHBondContact O-N 3.43Å; L274-N277 PolarHBondContact O-N 2.68Å; L274-E278 HydrophobicContact CD1-CG 4.1Å; L274-E278 WeakPolarHBondContact O-CG 3.21Å; L274-E278 PolarHBondContact O-N 3.2Å
275	I	92.8	Very high	90.5	Very high	71 Å²	71	53.8 Å²	53.8	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-61.2	-42.4	179.4	-68.4	168.9	0	0	0	110.5	L97 T271 V272 E278 L279	L97-I275 HydrophobicContact CD1-CD1 4.43Å; T271-I275 HydrophobicContact CG2-CD1 3.9Å; T271-I275 WeakPolarHBondContact O-CG1 3.49Å; T271-I275 PolarHBondContact O-N 3Å; V272-I275 PolarHBondContact O-N 2.82Å; I275-E278 PolarHBondContact O-N 2.88Å; I275-L279 HydrophobicContact CG2-CD1 3.68Å; I275-L279 HydrophobicContact CG2-CG 4.19Å; I275-L279 WeakPolarHBondContact O-CB 3.43Å; I275-L279 VanDerWaalsContact O-CG 3.31Å; I275-L279 WeakPolarHBondContact O-CG 3.37Å; I275-L279 PolarHBondContact O-N 3.31Å
276	Y	92.3	Very high	89.8	Confident	56 Å²	56	52.1 Å²	52.1	22%	0.22	27%	0.271	C	S	.	.	H	α-helix	trans	-56.4	-51.6	175.2	178	-92.2	0	0	0	111	V272 R273 L274 E278 L279 M280 F287 L300	V272-Y276 WeakPolarHBondContact O-CB 3.34Å; V272-Y276 PolarHBondContact O-N 3.37Å; R273-Y276 PolarHBondContact O-N 3.18Å; L274-Y276 VanDerWaalsContact C-N 3.3Å; L274-Y276 PolarHBondContact O-N 3.43Å; Y276-E278 PolarHBondContact O-N 3.49Å; Y276-L279 PolarHBondContact O-N 2.9Å; Y276-M280 HydrophobicContact CD1-CG 4.07Å; Y276-M280 HydrophobicContact CD2-CG 4.49Å; Y276-M280 HydrophobicContact CE1-CG 3.72Å; Y276-M280 HydrophobicContact CE2-CG 4.17Å; Y276-M280 HydrophobicContact CE2-SD 4.32Å; Y276-M280 HydrophobicContact CG-CG 4.43Å; Y276-M280 WeakPolarHBondContact O-CB 3.2Å; Y276-M280 WeakPolarHBondContact O-CG 3.38Å; Y276-M280 PolarHBondContact O-N 3.18Å; Y276-F287 AromaticContact CD2-CD1 3.79Å; Y276-F287 HydrophobicContact CD2-CD1 3.79Å; Y276-F287 HydrophobicContact CD2-CD2 4.29Å; Y276-F287 AromaticContact CD2-CE1 3.62Å; Y276-F287 HydrophobicContact CD2-CE1 3.62Å; Y276-F287 HydrophobicContact CD2-CE2 4.1Å; Y276-F287 HydrophobicContact CD2-CG 4.12Å; Y276-F287 AromaticContact CD2-CZ 3.76Å; Y276-F287 HydrophobicContact CD2-CZ 3.76Å; Y276-F287 HydrophobicContact CE2-CB 4.32Å; Y276-F287 AromaticContact CE2-CD1 3.88Å; Y276-F287 HydrophobicContact CE2-CD1 3.88Å; Y276-F287 HydrophobicContact CE2-CD2 4.12Å; Y276-F287 HydrophobicContact CE2-CE1 4.18Å; Y276-F287 HydrophobicContact CE2-CE2 4.37Å; Y276-F287 AromaticContact CE2-CG 3.84Å; Y276-F287 HydrophobicContact CE2-CG 3.84Å; Y276-F287 HydrophobicContact CE2-CZ 4.4Å; Y276-F287 HydrophobicContact CG-CZ 4.41Å; Y276-L300 HydrophobicContact CD1-CD1 4.47Å; Y276-L300 HydrophobicContact CD1-CD2 4.33Å; Y276-L300 HydrophobicContact CD2-CD1 4.22Å; Y276-L300 HydrophobicContact CE1-CD1 4.46Å; Y276-L300 HydrophobicContact CE2-CD1 4.21Å; Y276-L300 HydrophobicContact CG-CD1 4.36Å; Y276-L300 HydrophobicContact CG-CD2 4.13Å
277	N	92	Very high	89.1	Confident	30 Å²	30	50.9 Å²	50.9	16%	0.16	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-41.2	179.4	-72.4	-1.4	0	0	0	112.5	R273 L274 K281	R273-N277 WeakPolarHBondContact O-CB 3.43Å; R273-N277 VanDerWaalsContact O-CG 3.25Å; R273-N277 PolarHBondContact O-N 3.09Å; R273-N277 PolarHBondContact O-OD1 3Å; L274-N277 PolarHBondContact O-N 2.68Å; N277-K281 WeakPolarHBondContact O-CG 3.46Å; N277-K281 PolarHBondContact O-N 3.43Å
278	E	89.5	Confident	88.4	Confident	44 Å²	44	55.2 Å²	55.2	21%	0.206	28%	0.282	C	S	.	.	H	α-helix	trans	-69.6	-38.8	178.3	-66	-54.1	147.3	0	0	112.6	L95 Y247 L274 I275 Y276 K281	L95-E278 HydrophobicContact CD2-CB 4.17Å; L95-E278 HydrophobicContact CD2-CG 3.83Å; Y247-E278 PolarHBondContact OH-OE1 3.02Å; L274-E278 HydrophobicContact CD1-CG 4.1Å; L274-E278 WeakPolarHBondContact O-CG 3.21Å; L274-E278 PolarHBondContact O-N 3.2Å; I275-E278 PolarHBondContact O-N 2.88Å; Y276-E278 PolarHBondContact O-N 3.49Å; E278-K281 PolarHBondContact O-N 2.99Å; E278-K281 IonicContact OE1-NZ 3.36Å; E278-K281 PolarHBondContact OE1-NZ 3.49Å; E278-K281 IonicContact OE2-NZ 2.65Å; E278-K281 PolarHBondContact OE2-NZ 3.19Å
279	L	88.3	Confident	87.6	Confident	62 Å²	62	60.8 Å²	60.8	33%	0.325	31%	0.313	S	S	.	.	H	α-helix	trans	-70.3	-37.1	176.5	-72.3	176.8	0	0	0	112	I275 Y276 K281 I282 D283 L286 F287	I275-L279 HydrophobicContact CG2-CD1 3.68Å; I275-L279 HydrophobicContact CG2-CG 4.19Å; I275-L279 WeakPolarHBondContact O-CB 3.43Å; I275-L279 VanDerWaalsContact O-CG 3.31Å; I275-L279 WeakPolarHBondContact O-CG 3.37Å; I275-L279 PolarHBondContact O-N 3.31Å; Y276-L279 PolarHBondContact O-N 2.9Å; L279-K281 PolarHBondContact O-N 3.02Å; L279-I282 HydrophobicContact CD2-CD1 4.33Å; L279-I282 WeakPolarHBondContact O-CB 2.81Å; L279-I282 PolarHBondContact O-N 3.16Å; L279-D283 PolarHBondContact O-N 2.93Å; L279-L286 HydrophobicContact CD2-CD1 4.36Å; L279-F287 HydrophobicContact CB-CE2 3.41Å; L279-F287 VanDerWaalsContact CB-CE2 3.41Å; L279-F287 HydrophobicContact CB-CZ 3.5Å; L279-F287 VanDerWaalsContact CB-CZ 3.5Å; L279-F287 HydrophobicContact CD1-CE1 4.43Å; L279-F287 HydrophobicContact CD1-CE2 4.34Å; L279-F287 HydrophobicContact CD1-CZ 3.63Å; L279-F287 HydrophobicContact CG-CZ 4.2Å
280	M	87.9	Confident	87	Confident	74 Å²	74	64.1 Å²	64.1	37%	0.365	33%	0.33	S	S	.	.	H	α-helix	trans	-60.8	-29.2	174.8	-77.1	-64.8	-64.2	0	0	112.8	Y276 I282 F287	Y276-M280 HydrophobicContact CD1-CG 4.07Å; Y276-M280 HydrophobicContact CD2-CG 4.49Å; Y276-M280 HydrophobicContact CE1-CG 3.72Å; Y276-M280 HydrophobicContact CE2-CG 4.17Å; Y276-M280 HydrophobicContact CE2-SD 4.32Å; Y276-M280 HydrophobicContact CG-CG 4.43Å; Y276-M280 WeakPolarHBondContact O-CB 3.2Å; Y276-M280 WeakPolarHBondContact O-CG 3.38Å; Y276-M280 PolarHBondContact O-N 3.18Å; M280-I282 VanDerWaalsContact C-N 3.32Å; M280-F287 HydrophobicContact CG-CD2 3.96Å; M280-F287 HydrophobicContact CG-CE2 3.91Å; M280-F287 HydrophobicContact SD-CB 4.47Å; M280-F287 HydrophobicContact SD-CD2 3.45Å; M280-F287 WeakPolarHBondContact SD-CD2 3.45Å; M280-F287 HydrophobicContact SD-CE2 4.03Å; M280-F287 HydrophobicContact SD-CG 4.28Å
281	K	87.2	Confident	86.2	Confident	144 Å²	144	68.9 Å²	68.9	63%	0.626	35%	0.349	S	S	*	.	H	α-helix	trans	-71	-26.2	173.1	-66.4	170.1	-162	169.3	0	113.1	N277 E278 L279	N277-K281 WeakPolarHBondContact O-CG 3.46Å; N277-K281 PolarHBondContact O-N 3.43Å; E278-K281 PolarHBondContact O-N 2.99Å; E278-K281 IonicContact OE1-NZ 3.36Å; E278-K281 PolarHBondContact OE1-NZ 3.49Å; E278-K281 IonicContact OE2-NZ 2.65Å; E278-K281 PolarHBondContact OE2-NZ 3.19Å; L279-K281 PolarHBondContact O-N 3.02Å
282	I	85.4	Confident	85.6	Confident	121 Å²	121	74.3 Å²	74.3	62%	0.621	38%	0.377	S	S	*	.	H	α-helix	trans	-82.6	-57	-179.1	-62.7	172.5	0	0	0	109.4	L279 M280	L279-I282 HydrophobicContact CD2-CD1 4.33Å; L279-I282 WeakPolarHBondContact O-CB 2.81Å; L279-I282 PolarHBondContact O-N 3.16Å; M280-I282 VanDerWaalsContact C-N 3.32Å
283	D	83.5	Confident	85.5	Confident	66 Å²	66	75.7 Å²	75.7	35%	0.353	38%	0.383	S	S	.	.			trans	-158.1	111.7	178.4	178.9	9.3	0	0	0	109.8	L279 L285 L286	L279-D283 PolarHBondContact O-N 2.93Å; D283-L285 PolarHBondContact O-N 3.4Å; D283-L285 VanDerWaalsContact OD1-CB 3.26Å; D283-L285 WeakPolarHBondContact OD1-CB 3.29Å; D283-L285 WeakPolarHBondContact OD1-CG 3.48Å; D283-L285 PolarHBondContact OD1-N 3.16Å; D283-L286 HydrophobicContact CB-CD1 4.09Å; D283-L286 HydrophobicContact CB-CG 3.94Å; D283-L286 WeakPolarHBondContact O-CB 3.49Å; D283-L286 VanDerWaalsContact O-CG 3.3Å; D283-L286 WeakPolarHBondContact O-CG 3.26Å; D283-L286 PolarHBondContact O-N 3.28Å
284	G	77.6	Confident	85.4	Confident	33 Å²	33	80.3 Å²	80.3	34%	0.34	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-63.7	-19.4	177.8	0	0	0	0	0	113.7	L286	G284-L286 PolarHBondContact O-N 3.42Å
285	L	79.4	Confident	85.3	Confident	105 Å²	105	86.6 Å²	86.6	55%	0.55	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-72	-16.8	178	-61	170.5	0	0	0	112.6	D283 F287 E288	D283-L285 PolarHBondContact O-N 3.4Å; D283-L285 VanDerWaalsContact OD1-CB 3.26Å; D283-L285 WeakPolarHBondContact OD1-CB 3.29Å; D283-L285 WeakPolarHBondContact OD1-CG 3.48Å; D283-L285 PolarHBondContact OD1-N 3.16Å; L285-F287 PolarHBondContact O-N 2.9Å; L285-F287 VanDerWaalsContact O-N 3.08Å; L285-E288 HydrophobicContact CB-CG 4.44Å; L285-E288 HydrophobicContact CD2-CG 4.08Å; L285-E288 WeakPolarHBondContact O-CG 3.28Å; L285-E288 PolarHBondContact O-N 3.27Å; L285-E288 VanDerWaalsContact O-N 3.16Å
286	L	76.7	Confident	85.3	Confident	88 Å²	88	84.4 Å²	84.4	46%	0.461	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-59.3	-24.2	178.2	-67.8	173.9	0	0	0	113	L279 D283 G284	L279-L286 HydrophobicContact CD2-CD1 4.36Å; D283-L286 HydrophobicContact CB-CD1 4.09Å; D283-L286 HydrophobicContact CB-CG 3.94Å; D283-L286 WeakPolarHBondContact O-CB 3.49Å; D283-L286 VanDerWaalsContact O-CG 3.3Å; D283-L286 WeakPolarHBondContact O-CG 3.26Å; D283-L286 PolarHBondContact O-N 3.28Å; G284-L286 PolarHBondContact O-N 3.42Å
287	F	77.7	Confident	85.3	Confident	21 Å²	21	85.7 Å²	85.7	9%	0.092	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-103	4.3	-177.2	-64.6	-80	0	0	0	114.1	Y276 L279 M280 L285 N289 L290 K291 L296	Y276-F287 AromaticContact CD2-CD1 3.79Å; Y276-F287 HydrophobicContact CD2-CD1 3.79Å; Y276-F287 HydrophobicContact CD2-CD2 4.29Å; Y276-F287 AromaticContact CD2-CE1 3.62Å; Y276-F287 HydrophobicContact CD2-CE1 3.62Å; Y276-F287 HydrophobicContact CD2-CE2 4.1Å; Y276-F287 HydrophobicContact CD2-CG 4.12Å; Y276-F287 AromaticContact CD2-CZ 3.76Å; Y276-F287 HydrophobicContact CD2-CZ 3.76Å; Y276-F287 HydrophobicContact CE2-CB 4.32Å; Y276-F287 AromaticContact CE2-CD1 3.88Å; Y276-F287 HydrophobicContact CE2-CD1 3.88Å; Y276-F287 HydrophobicContact CE2-CD2 4.12Å; Y276-F287 HydrophobicContact CE2-CE1 4.18Å; Y276-F287 HydrophobicContact CE2-CE2 4.37Å; Y276-F287 AromaticContact CE2-CG 3.84Å; Y276-F287 HydrophobicContact CE2-CG 3.84Å; Y276-F287 HydrophobicContact CE2-CZ 4.4Å; Y276-F287 HydrophobicContact CG-CZ 4.41Å; L279-F287 HydrophobicContact CB-CE2 3.41Å; L279-F287 VanDerWaalsContact CB-CE2 3.41Å; L279-F287 HydrophobicContact CB-CZ 3.5Å; L279-F287 VanDerWaalsContact CB-CZ 3.5Å; L279-F287 HydrophobicContact CD1-CE1 4.43Å; L279-F287 HydrophobicContact CD1-CE2 4.34Å; L279-F287 HydrophobicContact CD1-CZ 3.63Å; L279-F287 HydrophobicContact CG-CZ 4.2Å; M280-F287 HydrophobicContact CG-CD2 3.96Å; M280-F287 HydrophobicContact CG-CE2 3.91Å; M280-F287 HydrophobicContact SD-CB 4.47Å; M280-F287 HydrophobicContact SD-CD2 3.45Å; M280-F287 WeakPolarHBondContact SD-CD2 3.45Å; M280-F287 HydrophobicContact SD-CE2 4.03Å; M280-F287 HydrophobicContact SD-CG 4.28Å; L285-F287 PolarHBondContact O-N 2.9Å; L285-F287 VanDerWaalsContact O-N 3.08Å; F287-N289 VanDerWaalsContact C-N 3.28Å; F287-N289 PolarHBondContact O-N 2.98Å; F287-L290 HydrophobicContact CD1-CB 4.37Å; F287-L290 HydrophobicContact CD1-CD1 3.78Å; F287-L290 HydrophobicContact CE1-CD1 4.22Å; F287-L290 CarbonylContact O-C 3.46Å; F287-L290 WeakPolarHBondContact O-CA 3.1Å; F287-L290 PolarHBondContact O-N 3.5Å; F287-K291 PolarHBondContact O-N 2.91Å; F287-L296 HydrophobicContact CD1-CD2 4.5Å
288	E	78.6	Confident	85.4	Confident	96 Å²	96	86.6 Å²	86.6	45%	0.449	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-56.9	-43.3	179.7	-64.1	-152.4	124.7	0	0	112.6	L285 L290 K291	L285-E288 HydrophobicContact CB-CG 4.44Å; L285-E288 HydrophobicContact CD2-CG 4.08Å; L285-E288 WeakPolarHBondContact O-CG 3.28Å; L285-E288 PolarHBondContact O-N 3.27Å; L285-E288 VanDerWaalsContact O-N 3.16Å; E288-L290 PolarHBondContact O-N 3.06Å; E288-K291 WeakPolarHBondContact O-CB 2.99Å; E288-K291 PolarHBondContact O-N 2.82Å; E288-K291 IonicContact OE1-NZ 2.72Å; E288-K291 PolarHBondContact OE1-NZ 3.15Å
289	N	79.8	Confident	85.6	Confident	160 Å²	160	84.8 Å²	84.8	86%	0.856	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-71	-11.3	177.2	-62.5	-35	0	0	0	113.5	F287	F287-N289 VanDerWaalsContact C-N 3.28Å; F287-N289 PolarHBondContact O-N 2.98Å
290	L	82.1	Confident	85.8	Confident	69 Å²	69	82.7 Å²	82.7	36%	0.361	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-108.8	-2.3	-179.2	-64.2	173.8	0	0	0	112.6	F287 E288 D292 N293 L296	F287-L290 HydrophobicContact CD1-CB 4.37Å; F287-L290 HydrophobicContact CD1-CD1 3.78Å; F287-L290 HydrophobicContact CE1-CD1 4.22Å; F287-L290 CarbonylContact O-C 3.46Å; F287-L290 WeakPolarHBondContact O-CA 3.1Å; F287-L290 PolarHBondContact O-N 3.5Å; E288-L290 PolarHBondContact O-N 3.06Å; L290-D292 PolarHBondContact O-N 3.45Å; L290-D292 VanDerWaalsContact O-N 3.16Å; L290-N293 HydrophobicContact CD2-CB 4.45Å; L290-N293 VanDerWaalsContact O-CB 3.29Å; L290-N293 WeakPolarHBondContact O-CB 3.32Å; L290-N293 PolarHBondContact O-N 3.14Å; L290-L296 HydrophobicContact CB-CD2 3.96Å
291	K	79.1	Confident	86.2	Confident	118 Å²	118	85.1 Å²	85.1	51%	0.513	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-33	-179.8	-78.1	173.7	-178.1	167.9	0	112.6	F287 E288 K297	F287-K291 PolarHBondContact O-N 2.91Å; E288-K291 WeakPolarHBondContact O-CB 2.99Å; E288-K291 PolarHBondContact O-N 2.82Å; E288-K291 IonicContact OE1-NZ 2.72Å; E288-K291 PolarHBondContact OE1-NZ 3.15Å; K291-K297 WeakPolarHBondContact O-CE 3.44Å; K291-K297 PolarHBondContact O-NZ 3.33Å
292	D	84.1	Confident	86.5	Confident	136 Å²	136	82 Å²	82	73%	0.727	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	11	-179.1	-62.8	-39.7	0	0	0	113.8	L290 D294 K297	L290-D292 PolarHBondContact O-N 3.45Å; L290-D292 VanDerWaalsContact O-N 3.16Å; D292-D294 PolarHBondContact O-N 2.91Å; D292-D294 VanDerWaalsContact O-N 3.14Å; D292-K297 IonicContact OD1-NZ 3.14Å
293	N	91.2	Very high	86.9	Confident	64 Å²	64	76.4 Å²	76.4	34%	0.342	40%	0.395	S	S	.	.			trans	-77.9	103	178.5	-170.7	-58.9	0	0	0	110.5	L290 Y295 L296 K297	L290-N293 HydrophobicContact CD2-CB 4.45Å; L290-N293 VanDerWaalsContact O-CB 3.29Å; L290-N293 WeakPolarHBondContact O-CB 3.32Å; L290-N293 PolarHBondContact O-N 3.14Å; N293-Y295 PolarHBondContact O-N 3.3Å; N293-Y295 WeakPolarHBondContact OD1-CA 3.39Å; N293-Y295 WeakPolarHBondContact OD1-CB 3.29Å; N293-Y295 PolarHBondContact OD1-N 3.27Å; N293-Y295 VanDerWaalsContact OD1-N 3.09Å; N293-L296 HydrophobicContact CB-CB 3.99Å; N293-L296 PolarHBondContact O-N 3.44Å; N293-L296 PolarHBondContact OD1-N 2.88Å; N293-K297 PolarHBondContact O-N 3.35Å
294	D	93.3	Very high	87.4	Confident	126 Å²	126	76.1 Å²	76.1	67%	0.674	40%	0.397	S	S	*	.	H	α-helix	trans	-59.4	-33.2	-179.8	-67.4	-26.2	0	0	0	113.1	D292 K297 S298	D292-D294 PolarHBondContact O-N 2.91Å; D292-D294 VanDerWaalsContact O-N 3.14Å; D294-K297 PolarHBondContact O-N 3.04Å; D294-S298 WeakPolarHBondContact O-CB 3.47Å; D294-S298 PolarHBondContact O-N 2.71Å
295	Y	92.8	Very high	88.1	Confident	135 Å²	135	81.4 Å²	81.4	53%	0.529	41%	0.413	S	S	.	.	H	α-helix	trans	-67.2	-45.7	176.8	-176.3	-114.3	0	0	0	111.5	N293 K297 S298 L299	N293-Y295 PolarHBondContact O-N 3.3Å; N293-Y295 WeakPolarHBondContact OD1-CA 3.39Å; N293-Y295 WeakPolarHBondContact OD1-CB 3.29Å; N293-Y295 PolarHBondContact OD1-N 3.27Å; N293-Y295 VanDerWaalsContact OD1-N 3.09Å; Y295-K297 PolarHBondContact O-N 3.45Å; Y295-S298 PolarHBondContact O-N 3.4Å; Y295-S298 PolarHBondContact O-OG 3.25Å; Y295-L299 HydrophobicContact CD1-CD1 4.08Å; Y295-L299 HydrophobicContact CE1-CD1 3.6Å; Y295-L299 HydrophobicContact CE1-CG 4.41Å; Y295-L299 HydrophobicContact CE2-CD1 4.46Å; Y295-L299 HydrophobicContact CE2-CG 4.47Å; Y295-L299 WeakPolarHBondContact O-CG 3.42Å; Y295-L299 PolarHBondContact O-N 3.1Å
296	L	92.3	Very high	88.7	Confident	25 Å²	25	82.6 Å²	82.6	13%	0.131	42%	0.42	C	S	.	.	H	α-helix	trans	-58.9	-48	173.2	177.9	61.1	0	0	0	110.6	V272 F287 L290 N293 S298 L299 L300	V272-L296 HydrophobicContact CG1-CD1 3.63Å; F287-L296 HydrophobicContact CD1-CD2 4.5Å; L290-L296 HydrophobicContact CB-CD2 3.96Å; N293-L296 HydrophobicContact CB-CB 3.99Å; N293-L296 PolarHBondContact O-N 3.44Å; N293-L296 PolarHBondContact OD1-N 2.88Å; L296-S298 VanDerWaalsContact C-N 3.33Å; L296-S298 PolarHBondContact O-N 3.25Å; L296-L299 PolarHBondContact O-N 3.15Å; L296-L299 VanDerWaalsContact O-N 3.16Å; L296-L300 HydrophobicContact CD1-CD1 4.08Å; L296-L300 HydrophobicContact CD1-CD2 4.32Å; L296-L300 HydrophobicContact CD1-CG 3.98Å; L296-L300 HydrophobicContact CG-CD1 3.95Å; L296-L300 HydrophobicContact CG-CG 4.25Å; L296-L300 WeakPolarHBondContact O-CB 3.39Å; L296-L300 VanDerWaalsContact O-CG 3.28Å; L296-L300 WeakPolarHBondContact O-CG 3.29Å; L296-L300 PolarHBondContact O-N 2.89Å
297	K	92.4	Very high	89.4	Confident	83 Å²	83	81.8 Å²	81.8	36%	0.361	42%	0.421	S	S	.	.	H	α-helix	trans	-55	-49.2	176.5	-70.6	176.3	-174.2	167.4	0	111.1	K291 D292 N293 D294 Y295 L299 L300 D301	K291-K297 WeakPolarHBondContact O-CE 3.44Å; K291-K297 PolarHBondContact O-NZ 3.33Å; D292-K297 IonicContact OD1-NZ 3.14Å; N293-K297 PolarHBondContact O-N 3.35Å; D294-K297 PolarHBondContact O-N 3.04Å; Y295-K297 PolarHBondContact O-N 3.45Å; K297-L299 VanDerWaalsContact C-N 3.31Å; K297-L299 PolarHBondContact O-N 3.38Å; K297-L300 CarbonylContact O-C 3.11Å; K297-L300 PolarHBondContact O-N 3.03Å; K297-L300 VanDerWaalsContact O-N 3.13Å; K297-D301 PolarHBondContact O-N 3.05Å
298	S	94.2	Very high	90.1	Very high	48 Å²	48	81.6 Å²	81.6	34%	0.336	42%	0.423	S	S	.	.	H	α-helix	trans	-58.4	-38.9	178.3	76.5	0	0	0	0	113.5	D294 Y295 L296 D301 I302	D294-S298 WeakPolarHBondContact O-CB 3.47Å; D294-S298 PolarHBondContact O-N 2.71Å; Y295-S298 PolarHBondContact O-N 3.4Å; Y295-S298 PolarHBondContact O-OG 3.25Å; L296-S298 VanDerWaalsContact C-N 3.33Å; L296-S298 PolarHBondContact O-N 3.25Å; S298-D301 PolarHBondContact O-N 2.88Å; S298-I302 WeakPolarHBondContact O-CD1 3.44Å; S298-I302 WeakPolarHBondContact O-CG1 3.33Å; S298-I302 PolarHBondContact O-N 3.17Å; S298-I302 VanDerWaalsContact O-N 3.11Å
299	L	94.1	Very high	90.8	Very high	7 Å²	7	78.2 Å²	78.2	4%	0.037	41%	0.409	C	S	.	.	H	α-helix	trans	-71.5	-38.5	177.6	-71.6	177	0	0	0	112	I268 A269 V272 Y295 L296 K297 D301 I302 C303	I268-L299 HydrophobicContact CG2-CD1 3.98Å; I268-L299 HydrophobicContact CG2-CD2 3.9Å; A269-L299 HydrophobicContact CB-CD2 4.26Å; A269-L299 VanDerWaalsContact CB-O 3.31Å; A269-L299 WeakPolarHBondContact CB-O 3.33Å; V272-L299 HydrophobicContact CB-CD1 4.44Å; V272-L299 HydrophobicContact CG1-CB 4.37Å; V272-L299 HydrophobicContact CG1-CD1 4.31Å; V272-L299 HydrophobicContact CG2-CD1 4.07Å; Y295-L299 HydrophobicContact CD1-CD1 4.08Å; Y295-L299 HydrophobicContact CE1-CD1 3.6Å; Y295-L299 HydrophobicContact CE1-CG 4.41Å; Y295-L299 HydrophobicContact CE2-CD1 4.46Å; Y295-L299 HydrophobicContact CE2-CG 4.47Å; Y295-L299 WeakPolarHBondContact O-CG 3.42Å; Y295-L299 PolarHBondContact O-N 3.1Å; L296-L299 PolarHBondContact O-N 3.15Å; L296-L299 VanDerWaalsContact O-N 3.16Å; K297-L299 VanDerWaalsContact C-N 3.31Å; K297-L299 PolarHBondContact O-N 3.38Å; L299-D301 VanDerWaalsContact C-N 3.35Å; L299-I302 HydrophobicContact CD2-CD1 4.49Å; L299-I302 PolarHBondContact O-N 3.09Å; L299-C303 PolarHBondContact O-N 3.17Å
300	L	93.5	Very high	91.4	Very high	17 Å²	17	78.9 Å²	78.9	9%	0.089	40%	0.404	C	S	.	.	H	α-helix	trans	-66.4	-37.9	174.3	-67	-176.7	0	0	0	110.7	V272 R273 Y276 L296 K297 I302 C303	V272-L300 HydrophobicContact CG1-CD2 4.42Å; R273-L300 HydrophobicContact CB-CD2 4.33Å; R273-L300 VanDerWaalsContact NH2-C 3.26Å; R273-L300 PolarHBondContact NH2-O 2.85Å; Y276-L300 HydrophobicContact CD1-CD1 4.47Å; Y276-L300 HydrophobicContact CD1-CD2 4.33Å; Y276-L300 HydrophobicContact CD2-CD1 4.22Å; Y276-L300 HydrophobicContact CE1-CD1 4.46Å; Y276-L300 HydrophobicContact CE2-CD1 4.21Å; Y276-L300 HydrophobicContact CG-CD1 4.36Å; Y276-L300 HydrophobicContact CG-CD2 4.13Å; L296-L300 HydrophobicContact CD1-CD1 4.08Å; L296-L300 HydrophobicContact CD1-CD2 4.32Å; L296-L300 HydrophobicContact CD1-CG 3.98Å; L296-L300 HydrophobicContact CG-CD1 3.95Å; L296-L300 HydrophobicContact CG-CG 4.25Å; L296-L300 WeakPolarHBondContact O-CB 3.39Å; L296-L300 VanDerWaalsContact O-CG 3.28Å; L296-L300 WeakPolarHBondContact O-CG 3.29Å; L296-L300 PolarHBondContact O-N 2.89Å; K297-L300 CarbonylContact O-C 3.11Å; K297-L300 PolarHBondContact O-N 3.03Å; K297-L300 VanDerWaalsContact O-N 3.13Å; L300-I302 VanDerWaalsContact C-N 3.33Å; L300-I302 PolarHBondContact O-N 3.38Å; L300-C303 CarbonylContact O-C 3.55Å; L300-C303 PolarHBondContact O-N 3.19Å
301	D	94.3	Very high	91.9	Very high	126 Å²	126	77.9 Å²	77.9	67%	0.674	41%	0.406	S	S	*	.	H	α-helix	trans	-65.9	-35.7	176.2	-67	-22.3	0	0	0	112.1	K297 S298 L299 C303	K297-D301 PolarHBondContact O-N 3.05Å; S298-D301 PolarHBondContact O-N 2.88Å; L299-D301 VanDerWaalsContact C-N 3.35Å; D301-C303 VanDerWaalsContact C-N 3.34Å
302	I	94.7	Very high	92.5	Very high	77 Å²	77	74.8 Å²	74.8	40%	0.395	39%	0.393	S	S	.	.	H	α-helix	trans	-65.9	-35.5	175.8	-70.3	163.8	0	0	0	112	K265 A269 S298 L299 L300	K265-I302 HydrophobicContact CB-CG2 4.25Å; K265-I302 HydrophobicContact CG-CG2 4.07Å; A269-I302 HydrophobicContact CB-CB 3.75Å; A269-I302 HydrophobicContact CB-CG2 3.45Å; A269-I302 VanDerWaalsContact CB-CG2 3.45Å; S298-I302 WeakPolarHBondContact O-CD1 3.44Å; S298-I302 WeakPolarHBondContact O-CG1 3.33Å; S298-I302 PolarHBondContact O-N 3.17Å; S298-I302 VanDerWaalsContact O-N 3.11Å; L299-I302 HydrophobicContact CD2-CD1 4.49Å; L299-I302 PolarHBondContact O-N 3.09Å; L300-I302 VanDerWaalsContact C-N 3.33Å; L300-I302 PolarHBondContact O-N 3.38Å
303	C	94	Very high	92.6	Very high	5 Å²	5	73 Å²	73	3%	0.034	39%	0.391	C	S	.	.	S	Bend	trans	-123	90.7	177.6	-176	0	0	0	0	110.2	A269 P270 R273 L299 L300 D301	A269-C303 HydrophobicContact CB-CB 3.93Å; P270-C303 HydrophobicContact CG-CB 4.3Å; R273-C303 HydrophobicContact CB-CB 4.26Å; R273-C303 PolarHBondContact NE-O 2.98Å; R273-C303 PolarHBondContact NH2-O 3.37Å; R273-C303 VanDerWaalsContact NH2-O 3.14Å; L299-C303 PolarHBondContact O-N 3.17Å; L300-C303 CarbonylContact O-C 3.55Å; L300-C303 PolarHBondContact O-N 3.19Å; D301-C303 VanDerWaalsContact C-N 3.34Å
304	P	93.5	Very high	92.1	Very high	59 Å²	59	73.8 Å²	73.8	38%	0.383	39%	0.392	S	S	.	.			trans	-64.8	166.2	176.6	-15.6	29	0	0	0	112.1	D306 S307 C308	P304-D306 VanDerWaalsContact C-N 3.31Å; P304-D306 WeakPolarHBondContact CB-OD1 3.32Å; P304-D306 PolarHBondContact O-N 2.86Å; P304-S307 WeakPolarHBondContact O-CB 3.48Å; P304-S307 PolarHBondContact O-N 2.85Å; P304-C308 PolarHBondContact O-N 2.94Å
305	E	91.7	Very high	91.3	Very high	145 Å²	145	70.1 Å²	70.1	68%	0.678	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-61.3	-35.9	-171	-173.5	174.1	-175.7	0	0	113.8	S307 C308	E305-S307 PolarHBondContact O-N 3.06Å; E305-C308 WeakPolarHBondContact O-CB 3.33Å; E305-C308 PolarHBondContact O-N 3.37Å
306	D	92.4	Very high	90	Very high	130 Å²	130	70.6 Å²	70.6	70%	0.695	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-65	-26.3	176.7	65.6	-20	0	0	0	113.4	P304	P304-D306 VanDerWaalsContact C-N 3.31Å; P304-D306 WeakPolarHBondContact CB-OD1 3.32Å; P304-D306 PolarHBondContact O-N 2.86Å
307	S	92.1	Very high	88.6	Confident	70 Å²	70	73.6 Å²	73.6	49%	0.49	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-93.6	-0.2	-179.1	-56.9	0	0	0	0	112.7	P304 E305	P304-S307 WeakPolarHBondContact O-CB 3.48Å; P304-S307 PolarHBondContact O-N 2.85Å; E305-S307 PolarHBondContact O-N 3.06Å
308	C	91.8	Very high	87	Confident	18 Å²	18	75.6 Å²	75.6	12%	0.122	41%	0.412	C	S	.	.	S	Bend	trans	-60.3	133.9	178.4	-177.4	0	0	0	0	111.1	R273 P304 E305 K310	R273-C308 HydrophobicContact CG-CB 3.84Å; P304-C308 PolarHBondContact O-N 2.94Å; E305-C308 WeakPolarHBondContact O-CB 3.33Å; E305-C308 PolarHBondContact O-N 3.37Å; C308-K310 PolarHBondContact O-N 3.2Å
309	P	92.6	Very high	84.8	Confident	24 Å²	24	77.1 Å²	77.1	16%	0.156	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-54.7	135.5	174.1	-26	34.6	0	0	0	111.8	I249 P270	I249-P309 HydrophobicContact CD1-CB 3.95Å; I249-P309 HydrophobicContact CD1-CG 3.66Å; P270-P309 HydrophobicContact CB-CG 3.6Å
310	K	93.1	Very high	82.6	Confident	174 Å²	174	83.2 Å²	83.2	76%	0.757	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-96.6	152.1	177.2	-62.9	179.6	-176.2	174.9	0	110.1	C308 E312	C308-K310 PolarHBondContact O-N 3.2Å; K310-E312 PolarHBondContact O-N 2.96Å
311	A	92.6	Very high	80.3	Confident	48 Å²	48	85.5 Å²	85.5	40%	0.397	46%	0.464	S	S	.	.	B	Isolated β-bridge	trans	-63.3	136.4	174.3	0	0	0	0	0	110.2	P245 V246 Y247	P245-A311 HydrophobicContact CB-CB 4.35Å; V246-A311 CarbonylContact O-C 3.6Å; V246-A311 WeakPolarHBondContact O-CA 3.15Å; Y247-A311 HydrophobicContact CD1-CB 4.32Å; Y247-A311 HydrophobicContact CE1-CB 3.93Å
312	E	91.6	Very high	78.1	Confident	54 Å²	54	87.3 Å²	87.3	25%	0.252	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-61.9	134.2	174.2	-76.6	-69.9	152.1	0	0	110.6	L236 V246 R248 K310	L236-E312 HydrophobicContact CD2-CB 3.81Å; V246-E312 WeakPolarHBondContact O-CB 3.45Å; V246-E312 PolarHBondContact O-N 3.02Å; R248-E312 HydrophobicContact CB-CG 3.78Å; R248-E312 WeakPolarHBondContact CB-OE1 3.33Å; R248-E312 WeakPolarHBondContact CD-OE1 3.46Å; R248-E312 IonicContact CZ-OE1 3.35Å; R248-E312 IonicContact NE-OE1 2.79Å; R248-E312 PolarHBondContact NE-OE1 3.01Å; R248-E312 IonicContact NH2-OE1 3.6Å; K310-E312 PolarHBondContact O-N 2.96Å
313	S	86.6	Confident	75.8	Confident	97 Å²	97	85.3 Å²	85.3	68%	0.678	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-64	138.8	177	-60.1	0	0	0	0	111.1	L315	S313-L315 PolarHBondContact O-N 3.4Å
314	F	80.5	Confident	73.7	Confident	82 Å²	82	94.9 Å²	94.9	36%	0.36	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-60.2	134.5	171.7	-63.5	-65.2	0	0	0	110.5	L236 V240 S243	L236-F314 CarbonylContact O-C 3.44Å; L236-F314 WeakPolarHBondContact O-CA 3.08Å; V240-F314 HydrophobicContact CG2-CD2 4.33Å; S243-F314 WeakPolarHBondContact OG-CZ 3.34Å
315	L	76.1	Confident	71.9	Confident	48 Å²	48	96 Å²	96	25%	0.251	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-82.6	138.5	170.9	-62.5	177.2	0	0	0	107.7	R232 L236 R237 S313	R232-L315 HydrophobicContact CB-CD1 4.37Å; L236-L315 HydrophobicContact CB-CB 4.46Å; L236-L315 HydrophobicContact CB-CD1 4.05Å; L236-L315 HydrophobicContact CB-CG 3.98Å; L236-L315 HydrophobicContact CD1-CD1 4.33Å; L236-L315 PolarHBondContact O-N 3.46Å; R237-L315 HydrophobicContact CG-CB 3.69Å; R237-L315 HydrophobicContact CG-CD1 4.3Å; S313-L315 PolarHBondContact O-N 3.4Å
316	L	66.1	Low	70.3	Confident	146 Å²	146	97 Å²	97	76%	0.764	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-50	139.4	172.6	-68.4	173	0	0	0	109.8	R237 K318	R237-L316 PolarHBondContact NH1-O 3.5Å; L316-K318 PolarHBondContact O-N 2.81Å
317	P	62.3	Low	68.9	Low	87 Å²	87	96.3 Å²	96.3	57%	0.565	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-47.8	142.8	167.6	-25.6	34.5	0	0	0	108.7	S319	P317-S319 PolarHBondContact O-N 3.42Å; P317-S319 VanDerWaalsContact O-N 3.13Å
318	K	58.4	Low	67.5	Low	126 Å²	126	95.8 Å²	95.8	55%	0.548	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-55.8	129.3	170.3	-73.3	-176.5	178.4	-178.6	0	106.4	L316 F320	L316-K318 PolarHBondContact O-N 2.81Å; K318-F320 PolarHBondContact O-N 3.18Å
319	S	49	Very low	66.5	Low	79 Å²	79	95.8 Å²	95.8	55%	0.552	50%	0.5	S	S	*	.			trans	-46.8	107.9	174.4	40.6	0	0	0	0	107.8	P317 T321 D344	P317-S319 PolarHBondContact O-N 3.42Å; P317-S319 VanDerWaalsContact O-N 3.13Å; S319-T321 VanDerWaalsContact C-N 3.31Å; S319-T321 PolarHBondContact O-N 2.98Å; S319-D344 PolarHBondContact OG-OD2 3.02Å
320	F	48.3	Very low	65.9	Low	136 Å²	136	95.4 Å²	95.4	60%	0.596	50%	0.496	S	S	*	.			trans	-86.6	90.1	168.4	-130.3	-88.9	0	0	0	103.9	K318 E322	K318-F320 PolarHBondContact O-N 3.18Å; F320-E322 PolarHBondContact O-N 3.32Å
321	T	45.3	Very low	65.5	Low	65 Å²	65	91.5 Å²	91.5	40%	0.399	48%	0.482	S	S	.	.			trans	-72.7	89.3	167.6	29	0	0	0	0	106.3	S319 S323 I343 D344	S319-T321 VanDerWaalsContact C-N 3.31Å; S319-T321 PolarHBondContact O-N 2.98Å; T321-S323 PolarHBondContact O-N 3Å; T321-I343 HydrophobicContact CG2-CG2 4.34Å; T321-I343 WeakPolarHBondContact OG1-CG2 3.21Å; T321-D344 PolarHBondContact OG1-OD1 3.34Å
322	E	46.8	Very low	65.2	Low	164 Å²	164	89.3 Å²	89.3	77%	0.766	46%	0.464	S	S	*	.			trans	-56.7	111.3	166.6	-75	-177.4	171.4	0	0	107.5	F320 K324	F320-E322 PolarHBondContact O-N 3.32Å; E322-K324 PolarHBondContact O-N 3.49Å
323	S	46.5	Very low	64.9	Low	34 Å²	34	91.2 Å²	91.2	24%	0.238	48%	0.483	C	S	.	.			trans	-72.1	112.6	169.4	59.1	0	0	0	0	107.4	T321 D325	T321-S323 PolarHBondContact O-N 3Å; S323-D325 PolarHBondContact O-N 3.25Å
324	K	50.9	Low	64.8	Low	207 Å²	207	88.9 Å²	88.9	90%	0.9	46%	0.463	S	S	*	.			trans	-69.3	12.5	165.2	-66.6	-175	172.4	-177.7	0	113	E322	E322-K324 PolarHBondContact O-N 3.49Å
325	D	55.2	Low	65	Low	83 Å²	83	85 Å²	85	44%	0.444	45%	0.446	S	S	.	.			trans	-97.7	123.2	-175	-158.7	-14.2	0	0	0	108	S323 N327	S323-D325 PolarHBondContact O-N 3.25Å; D325-N327 PolarHBondContact O-N 3.03Å; D325-N327 PolarHBondContact OD1-ND2 2.78Å
326	D	57.3	Low	65.2	Low	165 Å²	165	87.7 Å²	87.7	88%	0.882	47%	0.469	S	S	*	.	S	Bend	trans	-63.9	-7.7	-179.4	-73	-30	0	0	0	112.7	F328	D326-F328 PolarHBondContact O-N 3.24Å
327	N	63	Low	65.8	Low	116 Å²	116	85.7 Å²	85.7	62%	0.62	46%	0.459	S	S	*	.			trans	-82.2	35.3	-179.1	-70.7	-52.8	0	0	0	114.7	D325 P329	D325-N327 PolarHBondContact O-N 3.03Å; D325-N327 PolarHBondContact OD1-ND2 2.78Å; N327-P329 CarbonylContact O-C 3.35Å
328	F	63.6	Low	66.7	Low	59 Å²	59	87.8 Å²	87.8	26%	0.259	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-93.1	136.9	179	-167	-82.3	0	0	0	112.2	A38 D326 F330 T341	A38-F328 VanDerWaalsContact CA-CE1 3.44Å; A38-F328 HydrophobicContact CB-CD1 3.95Å; A38-F328 HydrophobicContact CB-CE1 3.65Å; A38-F328 HydrophobicContact CB-CZ 4.28Å; A38-F328 WeakPolarHBondContact O-CE1 3.28Å; A38-F328 WeakPolarHBondContact O-CZ 3.21Å; D326-F328 PolarHBondContact O-N 3.24Å; F328-F330 HydrophobicContact CD2-CE2 4.32Å; F328-T341 VanDerWaalsContact CE2-C 3.46Å; F328-T341 WeakPolarHBondContact CE2-O 3.32Å; F328-T341 VanDerWaalsContact CZ-CA 3.41Å; F328-T341 HydrophobicContact CZ-CG2 4.36Å; F328-T341 WeakPolarHBondContact CZ-O 3.04Å
329	P	71.8	Confident	67.7	Low	17 Å²	17	83.7 Å²	83.7	11%	0.11	44%	0.439	C	S	.	.	S	Bend	cis	-78.6	155.2	-3	33.2	-36	0	0	0	112.8	N327 I331 I339	N327-P329 CarbonylContact O-C 3.35Å; P329-I331 PolarHBondContact O-N 3.17Å; P329-I339 HydrophobicContact CB-CG2 3.59Å; P329-I339 HydrophobicContact CG-CG2 3.73Å
330	F	80	Confident	69.1	Low	17 Å²	17	81.8 Å²	81.8	8%	0.075	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	124.2	177.5	-55.8	-82.5	0	0	0	110.8	F328 I339 F340 I343 W346	F328-F330 HydrophobicContact CD2-CE2 4.32Å; F330-I339 CarbonylContact O-C 3.52Å; F330-I339 WeakPolarHBondContact O-CA 3.3Å; F330-F340 HydrophobicContact CB-CB 4.27Å; F330-F340 PolarHBondContact N-O 3.03Å; F330-F340 PolarHBondContact O-N 3.37Å; F330-I343 HydrophobicContact CE2-CB 3.96Å; F330-I343 HydrophobicContact CE2-CG1 4.4Å; F330-I343 HydrophobicContact CZ-CB 4.18Å; F330-I343 HydrophobicContact CZ-CD1 4.39Å; F330-I343 HydrophobicContact CZ-CG1 4.2Å; F330-W346 HydrophobicContact CB-CB 4.09Å; F330-W346 HydrophobicContact CB-CD2 3.67Å; F330-W346 HydrophobicContact CB-CE3 3.81Å; F330-W346 HydrophobicContact CB-CG 3.78Å; F330-W346 HydrophobicContact CB-CZ3 4.4Å; F330-W346 AromaticContact CD1-CD1 3.76Å; F330-W346 HydrophobicContact CD1-CD2 4.38Å; F330-W346 HydrophobicContact CD1-CG 4.06Å; F330-W346 AromaticContact CD1-NE1 3.9Å; F330-W346 HydrophobicContact CD2-CB 3.98Å; F330-W346 HydrophobicContact CD2-CG 4.21Å; F330-W346 HydrophobicContact CG-CB 4.01Å; F330-W346 AromaticContact CG-CD1 3.92Å; F330-W346 HydrophobicContact CG-CD2 4.12Å; F330-W346 AromaticContact CG-CG 3.75Å; F330-W346 HydrophobicContact CG-CG 3.75Å
331	I	83.4	Confident	70.3	Confident	91 Å²	91	77 Å²	77	47%	0.467	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.9	-178.7	-56.1	178	0	0	0	110.3	P329 S333 N337 I339	P329-I331 PolarHBondContact O-N 3.17Å; I331-S333 PolarHBondContact O-N 2.9Å; I331-N337 HydrophobicContact CG2-CB 3.82Å; I331-I339 HydrophobicContact CG1-CG1 4.33Å
332	C	85.8	Confident	71.6	Confident	2 Å²	2	77.8 Å²	77.8	1%	0.014	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	99.5	173.9	-167.2	0	0	0	0	111.9	I334 C335 N337 R338 F340 W346 H349 H355	C332-I334 PolarHBondContact O-N 3.29Å; C332-C335 HydrophobicContact CB-CB 3.96Å; C332-C335 PolarHBondContact O-N 3.44Å; C332-C335 VanDerWaalsContact O-N 3.15Å; C332-C335 VanDerWaalsContact SG-CB 3.54Å; C332-C335 PolarHBondContact SG-N 2.74Å; C332-C335 VanDerWaalsContact SG-N 3.42Å; C332-C335 VanDerWaalsContact SG-SG 3.68Å; C332-N337 VanDerWaalsContact O-CA 3.27Å; C332-N337 WeakPolarHBondContact O-CA 3.43Å; C332-N337 PolarHBondContact O-N 3.31Å; C332-R338 HydrophobicContact CB-CB 4.4Å; C332-R338 PolarHBondContact N-O 3.09Å; C332-F340 HydrophobicContact CB-CE2 4.49Å; C332-W346 HydrophobicContact CB-CH2 4.2Å; C332-W346 HydrophobicContact CB-CZ3 3.71Å; C332-H349 WeakPolarHBondContact CB-NE2 3.36Å; C332-H349 PolarHBondContact SG-NE2 3.4Å; C332-H355 PolarHBondContact SG-CE1 2.87Å; C332-H355 PolarHBondContact SG-ND1 3.35Å
333	S	86	Confident	73.2	Confident	95 Å²	95	72.1 Å²	72.1	66%	0.664	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-59.2	-30.7	173.9	58	0	0	0	0	113.4	I331	I331-S333 PolarHBondContact O-N 2.9Å
334	I	85.2	Confident	74.9	Confident	47 Å²	47	73.6 Å²	73.6	24%	0.241	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-75.4	-26.4	-179.9	-58	174.2	0	0	0	111.9	C332 R358 A359 Y362	C332-I334 PolarHBondContact O-N 3.29Å; I334-R358 HydrophobicContact CG2-CB 3.8Å; I334-A359 HydrophobicContact CD1-CB 4.01Å; I334-A359 HydrophobicContact CG2-CB 4.39Å; I334-Y362 HydrophobicContact CD1-CD1 4.19Å; I334-Y362 HydrophobicContact CG1-CD1 4.14Å; I334-Y362 HydrophobicContact CG1-CG 4.37Å
335	C	83.9	Confident	76.4	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.007	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-114.7	48.7	-171.3	-65.9	0	0	0	0	113	C332 N337 R338 H349 R358	C332-C335 HydrophobicContact CB-CB 3.96Å; C332-C335 PolarHBondContact O-N 3.44Å; C332-C335 VanDerWaalsContact O-N 3.15Å; C332-C335 VanDerWaalsContact SG-CB 3.54Å; C332-C335 PolarHBondContact SG-N 2.74Å; C332-C335 VanDerWaalsContact SG-N 3.42Å; C332-C335 VanDerWaalsContact SG-SG 3.68Å; C335-N337 VanDerWaalsContact C-N 3.31Å; C335-N337 PolarHBondContact O-N 3.47Å; C335-R338 VanDerWaalsContact O-CG 3.31Å; C335-R338 WeakPolarHBondContact O-CG 3.43Å; C335-R338 PolarHBondContact O-N 2.92Å; C335-H349 PolarHBondContact SG-CE1 2.83Å; C335-R358 VanDerWaalsContact SG-CD 3.55Å
336	S	80	Confident	77.9	Confident	105 Å²	105	63.6 Å²	63.6	73%	0.734	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	42.3	176.2	-48.4	0	0	0	0	112.4	R338	S336-R338 PolarHBondContact O-N 3.48Å
337	N	78.4	Confident	79.4	Confident	104 Å²	104	59.8 Å²	59.8	56%	0.556	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	37.8	179.5	-60.6	-18.1	0	0	0	113.8	I331 C332 C335 I339	I331-N337 HydrophobicContact CG2-CB 3.82Å; C332-N337 VanDerWaalsContact O-CA 3.27Å; C332-N337 WeakPolarHBondContact O-CA 3.43Å; C332-N337 PolarHBondContact O-N 3.31Å; C335-N337 VanDerWaalsContact C-N 3.31Å; C335-N337 PolarHBondContact O-N 3.47Å; N337-I339 VanDerWaalsContact O-CG1 3.3Å; N337-I339 WeakPolarHBondContact O-CG1 3.37Å; N337-I339 PolarHBondContact O-N 2.84Å
338	R	81	Confident	80.6	Confident	130 Å²	130	57.2 Å²	57.2	49%	0.491	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	125.8	170.8	-84.5	178.2	-173.7	-140.2	0.9	109.8	C332 C335 S336 F340	C332-R338 HydrophobicContact CB-CB 4.4Å; C332-R338 PolarHBondContact N-O 3.09Å; C335-R338 VanDerWaalsContact O-CG 3.31Å; C335-R338 WeakPolarHBondContact O-CG 3.43Å; C335-R338 PolarHBondContact O-N 2.92Å; S336-R338 PolarHBondContact O-N 3.48Å; R338-F340 HydrophobicContact CB-CE2 3.72Å; R338-F340 HydrophobicContact CB-CZ 4.13Å
339	I	79.4	Confident	81.9	Confident	40 Å²	40	54.9 Å²	54.9	21%	0.205	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	135.5	-176.6	-50.1	-177.8	0	0	0	108.8	H41 P42 P329 F330 I331 N337	H41-I339 PolarHBondContact NE2-O 2.93Å; P42-I339 HydrophobicContact CB-CD1 4.32Å; P42-I339 HydrophobicContact CG-CD1 3.8Å; P42-I339 HydrophobicContact CG-CG2 4.31Å; P329-I339 HydrophobicContact CB-CG2 3.59Å; P329-I339 HydrophobicContact CG-CG2 3.73Å; F330-I339 CarbonylContact O-C 3.52Å; F330-I339 WeakPolarHBondContact O-CA 3.3Å; I331-I339 HydrophobicContact CG1-CG1 4.33Å; N337-I339 VanDerWaalsContact O-CG1 3.3Å; N337-I339 WeakPolarHBondContact O-CG1 3.37Å; N337-I339 PolarHBondContact O-N 2.84Å
340	F	80.4	Confident	82.8	Confident	39 Å²	39	57.1 Å²	57.1	17%	0.171	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.5	176.5	-61.3	-94.5	0	0	0	109.3	F330 C332 R338 Q342 G345 W346 H349	F330-F340 HydrophobicContact CB-CB 4.27Å; F330-F340 PolarHBondContact N-O 3.03Å; F330-F340 PolarHBondContact O-N 3.37Å; C332-F340 HydrophobicContact CB-CE2 4.49Å; R338-F340 HydrophobicContact CB-CE2 3.72Å; R338-F340 HydrophobicContact CB-CZ 4.13Å; F340-Q342 VanDerWaalsContact C-N 3.34Å; F340-G345 WeakPolarHBondContact CD1-O 3.39Å; F340-W346 HydrophobicContact CB-CB 4.07Å; F340-W346 AromaticContact CD2-CE3 3.59Å; F340-W346 HydrophobicContact CD2-CE3 3.59Å; F340-W346 HydrophobicContact CD2-CZ3 4.11Å; F340-W346 HydrophobicContact CE2-CE3 4.04Å; F340-W346 HydrophobicContact CE2-CZ3 4.3Å; F340-W346 HydrophobicContact CG-CB 4.37Å; F340-W346 HydrophobicContact CG-CE3 4.23Å; F340-H349 HydrophobicContact CD1-CB 4.34Å; F340-H349 HydrophobicContact CE1-CB 3.51Å; F340-H349 AromaticContact CE1-CG 3.95Å; F340-H349 HydrophobicContact CE2-CB 3.92Å; F340-H349 AromaticContact CE2-CD2 3.52Å; F340-H349 AromaticContact CE2-CG 3.58Å; F340-H349 HydrophobicContact CZ-CB 3.28Å; F340-H349 AromaticContact CZ-CD2 3.64Å; F340-H349 AromaticContact CZ-CG 3.16Å; F340-H349 AromaticContact CZ-ND1 3.57Å
341	T	73.1	Confident	83.3	Confident	37 Å²	37	62.9 Å²	62.9	23%	0.227	34%	0.338	C	S	.	.	S	Bend	trans	-91.8	3.2	178.2	59.1	0	0	0	0	112.7	H41 F328	H41-T341 HydrophobicContact CB-CG2 4.07Å; F328-T341 VanDerWaalsContact CE2-C 3.46Å; F328-T341 WeakPolarHBondContact CE2-O 3.32Å; F328-T341 VanDerWaalsContact CZ-CA 3.41Å; F328-T341 HydrophobicContact CZ-CG2 4.36Å; F328-T341 WeakPolarHBondContact CZ-O 3.04Å
342	Q	72.3	Confident	83.7	Confident	81 Å²	81	60 Å²	60	38%	0.379	33%	0.327	S	S	.	.	S	Bend	trans	-142.6	138.2	-179.9	-67	-170	-37.8	0	0	109.2	F340 D344 G345 W346	F340-Q342 VanDerWaalsContact C-N 3.34Å; Q342-D344 PolarHBondContact O-N 2.96Å; Q342-G345 PolarHBondContact O-N 2.94Å; Q342-W346 PolarHBondContact O-N 2.69Å
343	I	81	Confident	84	Confident	44 Å²	44	70 Å²	70	23%	0.226	36%	0.364	C	S	.	.	H	α-helix	trans	-64.6	-39.1	-178.9	-169.9	169.4	0	0	0	111.8	T321 F330 G345 W346 E347	T321-I343 HydrophobicContact CG2-CG2 4.34Å; T321-I343 WeakPolarHBondContact OG1-CG2 3.21Å; F330-I343 HydrophobicContact CE2-CB 3.96Å; F330-I343 HydrophobicContact CE2-CG1 4.4Å; F330-I343 HydrophobicContact CZ-CB 4.18Å; F330-I343 HydrophobicContact CZ-CD1 4.39Å; F330-I343 HydrophobicContact CZ-CG1 4.2Å; I343-G345 PolarHBondContact O-N 3.07Å; I343-W346 CarbonylContact O-C 3.59Å; I343-W346 WeakPolarHBondContact O-CA 3.34Å; I343-W346 WeakPolarHBondContact O-CB 3.2Å; I343-W346 PolarHBondContact O-N 3.15Å; I343-E347 HydrophobicContact CG1-CG 4.33Å; I343-E347 PolarHBondContact O-N 3.21Å
344	D	81.2	Confident	84.2	Confident	65 Å²	65	68.2 Å²	68.2	35%	0.348	35%	0.351	S	S	.	.	H	α-helix	trans	-58	-40.6	176.6	-63	1.1	0	0	0	111.4	S319 T321 Q342 A348	S319-D344 PolarHBondContact OG-OD2 3.02Å; T321-D344 PolarHBondContact OG1-OD1 3.34Å; Q342-D344 PolarHBondContact O-N 2.96Å; D344-A348 WeakPolarHBondContact O-CB 3.45Å; D344-A348 PolarHBondContact O-N 3.34Å
345	G	83	Confident	84.5	Confident	29 Å²	29	66.8 Å²	66.8	30%	0.299	34%	0.344	S	S	.	.	H	α-helix	trans	-68.7	-38.9	175.9	0	0	0	0	0	112.5	F340 Q342 I343 H349	F340-G345 WeakPolarHBondContact CD1-O 3.39Å; Q342-G345 PolarHBondContact O-N 2.94Å; I343-G345 PolarHBondContact O-N 3.07Å; G345-H349 VanDerWaalsContact O-CB 3.28Å; G345-H349 WeakPolarHBondContact O-CB 3.33Å; G345-H349 PolarHBondContact O-N 3.12Å
346	W	85.8	Confident	84.8	Confident	52 Å²	52	71.9 Å²	71.9	20%	0.197	37%	0.367	C	S	.	.	H	α-helix	trans	-62.8	-49.3	173.8	171.3	-120	0	0	0	111.7	F330 C332 F340 Q342 I343 H349 L350	F330-W346 HydrophobicContact CB-CB 4.09Å; F330-W346 HydrophobicContact CB-CD2 3.67Å; F330-W346 HydrophobicContact CB-CE3 3.81Å; F330-W346 HydrophobicContact CB-CG 3.78Å; F330-W346 HydrophobicContact CB-CZ3 4.4Å; F330-W346 AromaticContact CD1-CD1 3.76Å; F330-W346 HydrophobicContact CD1-CD2 4.38Å; F330-W346 HydrophobicContact CD1-CG 4.06Å; F330-W346 AromaticContact CD1-NE1 3.9Å; F330-W346 HydrophobicContact CD2-CB 3.98Å; F330-W346 HydrophobicContact CD2-CG 4.21Å; F330-W346 HydrophobicContact CG-CB 4.01Å; F330-W346 AromaticContact CG-CD1 3.92Å; F330-W346 HydrophobicContact CG-CD2 4.12Å; F330-W346 AromaticContact CG-CG 3.75Å; F330-W346 HydrophobicContact CG-CG 3.75Å; C332-W346 HydrophobicContact CB-CH2 4.2Å; C332-W346 HydrophobicContact CB-CZ3 3.71Å; F340-W346 HydrophobicContact CB-CB 4.07Å; F340-W346 AromaticContact CD2-CE3 3.59Å; F340-W346 HydrophobicContact CD2-CE3 3.59Å; F340-W346 HydrophobicContact CD2-CZ3 4.11Å; F340-W346 HydrophobicContact CE2-CE3 4.04Å; F340-W346 HydrophobicContact CE2-CZ3 4.3Å; F340-W346 HydrophobicContact CG-CB 4.37Å; F340-W346 HydrophobicContact CG-CE3 4.23Å; Q342-W346 PolarHBondContact O-N 2.69Å; I343-W346 CarbonylContact O-C 3.59Å; I343-W346 WeakPolarHBondContact O-CA 3.34Å; I343-W346 WeakPolarHBondContact O-CB 3.2Å; I343-W346 PolarHBondContact O-N 3.15Å; W346-H349 AromaticContact CZ3-CD2 3.96Å; W346-H349 WeakPolarHBondContact O-CB 3.37Å; W346-H349 PolarHBondContact O-N 3.48Å; W346-L350 HydrophobicContact CD2-CD1 4.3Å; W346-L350 HydrophobicContact CD2-CG 4.19Å; W346-L350 HydrophobicContact CH2-CD2 3.84Å; W346-L350 HydrophobicContact CH2-CG 4.45Å; W346-L350 HydrophobicContact CZ2-CD1 3.9Å; W346-L350 HydrophobicContact CZ2-CD2 3.71Å; W346-L350 HydrophobicContact CZ2-CG 4.02Å; W346-L350 HydrophobicContact CZ3-CD2 4.33Å; W346-L350 WeakPolarHBondContact O-CG 3.42Å; W346-L350 PolarHBondContact O-N 2.93Å
347	E	89.2	Confident	85.4	Confident	85 Å²	85	74.6 Å²	74.6	40%	0.397	37%	0.366	S	S	.	.	H	α-helix	trans	-63.1	-45	177.5	-72.7	-166.7	-172.3	0	0	112.4	I343 H349 L350 K351	I343-E347 HydrophobicContact CG1-CG 4.33Å; I343-E347 PolarHBondContact O-N 3.21Å; E347-H349 PolarHBondContact O-N 3.04Å; E347-L350 PolarHBondContact O-N 3.19Å; E347-K351 WeakPolarHBondContact O-CB 3.44Å; E347-K351 WeakPolarHBondContact O-CG 3.38Å; E347-K351 PolarHBondContact O-N 3.02Å; E347-K351 IonicContact OE2-NZ 3.19Å; E347-K351 PolarHBondContact OE2-NZ 3.27Å
348	A	89	Confident	86	Confident	61 Å²	61	74.5 Å²	74.5	50%	0.504	36%	0.358	S	S	.	.	H	α-helix	trans	-60.7	-37.2	175.6	0	0	0	0	0	111	D344 K351 S352	D344-A348 WeakPolarHBondContact O-CB 3.45Å; D344-A348 PolarHBondContact O-N 3.34Å; A348-K351 PolarHBondContact O-N 3.06Å; A348-S352 PolarHBondContact O-N 3.2Å
349	H	90.2	Very high	86.4	Confident	11 Å²	11	69.5 Å²	69.5	5%	0.051	34%	0.344	C	S	.	.	H	α-helix	trans	-63.4	-49.1	173	170.7	65.3	0	0	0	112.3	C332 C335 F340 G345 W346 E347 K351 S352 H355	C332-H349 WeakPolarHBondContact CB-NE2 3.36Å; C332-H349 PolarHBondContact SG-NE2 3.4Å; C335-H349 PolarHBondContact SG-CE1 2.83Å; F340-H349 HydrophobicContact CD1-CB 4.34Å; F340-H349 HydrophobicContact CE1-CB 3.51Å; F340-H349 AromaticContact CE1-CG 3.95Å; F340-H349 HydrophobicContact CE2-CB 3.92Å; F340-H349 AromaticContact CE2-CD2 3.52Å; F340-H349 AromaticContact CE2-CG 3.58Å; F340-H349 HydrophobicContact CZ-CB 3.28Å; F340-H349 AromaticContact CZ-CD2 3.64Å; F340-H349 AromaticContact CZ-CG 3.16Å; F340-H349 AromaticContact CZ-ND1 3.57Å; G345-H349 VanDerWaalsContact O-CB 3.28Å; G345-H349 WeakPolarHBondContact O-CB 3.33Å; G345-H349 PolarHBondContact O-N 3.12Å; W346-H349 AromaticContact CZ3-CD2 3.96Å; W346-H349 WeakPolarHBondContact O-CB 3.37Å; W346-H349 PolarHBondContact O-N 3.48Å; E347-H349 PolarHBondContact O-N 3.04Å; H349-K351 VanDerWaalsContact C-N 3.25Å; H349-K351 PolarHBondContact O-N 3.33Å; H349-S352 WeakPolarHBondContact O-CB 3.45Å; H349-S352 PolarHBondContact O-N 2.79Å; H349-S352 PolarHBondContact O-OG 2.76Å; H349-H355 AromaticContact CD2-ND1 3.7Å; H349-H355 AromaticContact CE1-ND1 3.62Å; H349-H355 AromaticContact NE2-CE1 3.95Å; H349-H355 AromaticContact NE2-CG 3.86Å; H349-H355 AromaticContact NE2-ND1 3.03Å; H349-H355 PolarHBondContact NE2-ND1 2.7Å; H349-H355 WeakPolarHBondContact O-CB 3.49Å
350	L	89.8	Confident	86.9	Confident	64 Å²	64	70.5 Å²	70.5	34%	0.335	36%	0.359	S	S	.	.	H	α-helix	trans	-58.5	-38.1	177.7	-69.3	-178.2	0	0	0	111.9	W346 E347 S352 H355	W346-L350 HydrophobicContact CD2-CD1 4.3Å; W346-L350 HydrophobicContact CD2-CG 4.19Å; W346-L350 HydrophobicContact CH2-CD2 3.84Å; W346-L350 HydrophobicContact CH2-CG 4.45Å; W346-L350 HydrophobicContact CZ2-CD1 3.9Å; W346-L350 HydrophobicContact CZ2-CD2 3.71Å; W346-L350 HydrophobicContact CZ2-CG 4.02Å; W346-L350 HydrophobicContact CZ3-CD2 4.33Å; W346-L350 WeakPolarHBondContact O-CG 3.42Å; W346-L350 PolarHBondContact O-N 2.93Å; E347-L350 PolarHBondContact O-N 3.19Å; L350-S352 VanDerWaalsContact C-N 3.3Å; L350-S352 PolarHBondContact O-N 3.29Å; L350-H355 PolarHBondContact O-CD2 3.36Å
351	K	91.3	Very high	87.4	Confident	137 Å²	137	74.7 Å²	74.7	60%	0.596	38%	0.377	S	S	*	.	H	α-helix	trans	-77.1	-11.7	175.9	-66.9	166.5	-176.1	161.2	0	113.4	E347 A348 H349 Q356	E347-K351 WeakPolarHBondContact O-CB 3.44Å; E347-K351 WeakPolarHBondContact O-CG 3.38Å; E347-K351 PolarHBondContact O-N 3.02Å; E347-K351 IonicContact OE2-NZ 3.19Å; E347-K351 PolarHBondContact OE2-NZ 3.27Å; A348-K351 PolarHBondContact O-N 3.06Å; H349-K351 VanDerWaalsContact C-N 3.25Å; H349-K351 PolarHBondContact O-N 3.33Å; K351-Q356 PolarHBondContact O-NE2 2.8Å
352	S	92.1	Very high	88.2	Confident	31 Å²	31	78.4 Å²	78.4	22%	0.217	39%	0.387	C	S	.	.	S	Bend	trans	-68.6	141.5	-175.1	77.8	0	0	0	0	112.2	A348 H349 L350 S354 H355 Q356	A348-S352 PolarHBondContact O-N 3.2Å; H349-S352 WeakPolarHBondContact O-CB 3.45Å; H349-S352 PolarHBondContact O-N 2.79Å; H349-S352 PolarHBondContact O-OG 2.76Å; L350-S352 VanDerWaalsContact C-N 3.3Å; L350-S352 PolarHBondContact O-N 3.29Å; S352-S354 PolarHBondContact O-N 3.48Å; S352-S354 VanDerWaalsContact O-N 3.12Å; S352-S354 PolarHBondContact OG-OG 3.39Å; S352-S354 VanDerWaalsContact OG-OG 3.07Å; S352-H355 PolarHBondContact O-N 2.73Å; S352-H355 WeakPolarHBondContact OG-CB 3.4Å; S352-H355 PolarHBondContact OG-N 3.35Å; S352-H355 VanDerWaalsContact OG-N 3.15Å; S352-Q356 WeakPolarHBondContact O-CG 3.2Å; S352-Q356 PolarHBondContact O-N 3.43Å
353	R	92.4	Very high	89	Confident	213 Å²	213	81.3 Å²	81.3	80%	0.804	40%	0.399	S	S	*	.	H	α-helix	trans	-53.4	-35.5	174.1	-72	-176.2	173.4	-171	-2.1	112.5	K357	R353-K357 WeakPolarHBondContact O-CB 3.44Å; R353-K357 WeakPolarHBondContact O-CG 3.21Å; R353-K357 PolarHBondContact O-N 2.72Å
354	S	89.2	Confident	89.4	Confident	56 Å²	56	86 Å²	86	39%	0.392	42%	0.418	S	S	.	.	H	α-helix	trans	-65.5	-44.7	178.8	75.1	0	0	0	0	112.2	S352 R358	S352-S354 PolarHBondContact O-N 3.48Å; S352-S354 VanDerWaalsContact O-N 3.12Å; S352-S354 PolarHBondContact OG-OG 3.39Å; S352-S354 VanDerWaalsContact OG-OG 3.07Å; S354-R358 WeakPolarHBondContact O-CG 3.35Å; S354-R358 PolarHBondContact O-N 2.89Å
355	H	91	Very high	89.7	Confident	18 Å²	18	89.7 Å²	89.7	8%	0.083	43%	0.427	C	S	.	.	H	α-helix	trans	-66.8	-49.8	176.5	-180	91.2	0	0	0	110.2	C332 H349 L350 S352 K357 R358 A359	C332-H355 PolarHBondContact SG-CE1 2.87Å; C332-H355 PolarHBondContact SG-ND1 3.35Å; H349-H355 AromaticContact CD2-ND1 3.7Å; H349-H355 AromaticContact CE1-ND1 3.62Å; H349-H355 AromaticContact NE2-CE1 3.95Å; H349-H355 AromaticContact NE2-CG 3.86Å; H349-H355 AromaticContact NE2-ND1 3.03Å; H349-H355 PolarHBondContact NE2-ND1 2.7Å; H349-H355 WeakPolarHBondContact O-CB 3.49Å; L350-H355 PolarHBondContact O-CD2 3.36Å; S352-H355 PolarHBondContact O-N 2.73Å; S352-H355 WeakPolarHBondContact OG-CB 3.4Å; S352-H355 PolarHBondContact OG-N 3.35Å; S352-H355 VanDerWaalsContact OG-N 3.15Å; H355-K357 VanDerWaalsContact C-N 3.31Å; H355-K357 PolarHBondContact O-N 2.79Å; H355-R358 CarbonylContact O-C 3.58Å; H355-R358 PolarHBondContact O-N 2.95Å; H355-A359 VanDerWaalsContact O-CB 3.32Å; H355-A359 WeakPolarHBondContact O-CB 3.33Å; H355-A359 PolarHBondContact O-N 3.42Å
356	Q	91.5	Very high	89.9	Confident	107 Å²	107	91.3 Å²	91.3	50%	0.5	43%	0.428	S	S	.	.	H	α-helix	trans	-55.3	-43.9	179.8	-70.4	175.6	-10.1	0	0	112.4	K351 S352 A359 A360	K351-Q356 PolarHBondContact O-NE2 2.8Å; S352-Q356 WeakPolarHBondContact O-CG 3.2Å; S352-Q356 PolarHBondContact O-N 3.43Å; Q356-A359 PolarHBondContact O-N 3.25Å; Q356-A360 VanDerWaalsContact O-CB 3.3Å; Q356-A360 WeakPolarHBondContact O-CB 3.36Å; Q356-A360 PolarHBondContact O-N 3.4Å
357	K	91.5	Very high	89.9	Confident	163 Å²	163	93.8 Å²	93.8	71%	0.709	44%	0.444	S	S	*	.	H	α-helix	trans	-62	-44.1	175	-76.9	-176	179.1	-171.7	0	112.3	R353 H355 K361	R353-K357 WeakPolarHBondContact O-CB 3.44Å; R353-K357 WeakPolarHBondContact O-CG 3.21Å; R353-K357 PolarHBondContact O-N 2.72Å; H355-K357 VanDerWaalsContact C-N 3.31Å; H355-K357 PolarHBondContact O-N 2.79Å; K357-K361 WeakPolarHBondContact O-CB 3.33Å; K357-K361 PolarHBondContact O-N 3Å; K357-K361 VanDerWaalsContact O-N 3.09Å
358	R	91	Very high	89.8	Confident	101 Å²	101	93.8 Å²	93.8	38%	0.381	45%	0.446	S	S	.	.	H	α-helix	trans	-68.5	-40.9	178.4	-69.7	175.2	-176	-163.8	-0.2	111.7	I334 C335 S354 H355 K361 Y362	I334-R358 HydrophobicContact CG2-CB 3.8Å; C335-R358 VanDerWaalsContact SG-CD 3.55Å; S354-R358 WeakPolarHBondContact O-CG 3.35Å; S354-R358 PolarHBondContact O-N 2.89Å; H355-R358 CarbonylContact O-C 3.58Å; H355-R358 PolarHBondContact O-N 2.95Å; R358-K361 PolarHBondContact O-N 3.14Å; R358-Y362 WeakPolarHBondContact O-CB 3.48Å; R358-Y362 PolarHBondContact O-N 2.88Å
359	A	90.4	Very high	89.7	Confident	25 Å²	25	95.9 Å²	95.9	21%	0.207	45%	0.446	C	S	.	.	H	α-helix	trans	-65.6	-41.6	177.4	0	0	0	0	0	111.9	I334 H355 Q356 Y362 K363	I334-A359 HydrophobicContact CD1-CB 4.01Å; I334-A359 HydrophobicContact CG2-CB 4.39Å; H355-A359 VanDerWaalsContact O-CB 3.32Å; H355-A359 WeakPolarHBondContact O-CB 3.33Å; H355-A359 PolarHBondContact O-N 3.42Å; Q356-A359 PolarHBondContact O-N 3.25Å; A359-Y362 PolarHBondContact O-N 2.92Å; A359-K363 WeakPolarHBondContact O-CB 3.09Å; A359-K363 PolarHBondContact O-N 2.56Å
360	A	90.1	Very high	89.5	Confident	62 Å²	62	101.9 Å²	101.9	51%	0.512	47%	0.472	S	S	.	.	H	α-helix	trans	-62.4	-44.1	173.1	0	0	0	0	0	111.6	Q356 Y362 K363 K364	Q356-A360 VanDerWaalsContact O-CB 3.3Å; Q356-A360 WeakPolarHBondContact O-CB 3.36Å; Q356-A360 PolarHBondContact O-N 3.4Å; A360-Y362 VanDerWaalsContact C-N 3.33Å; A360-Y362 PolarHBondContact O-N 2.91Å; A360-K363 PolarHBondContact O-N 2.8Å; A360-K364 WeakPolarHBondContact O-CB 3.39Å; A360-K364 PolarHBondContact O-N 3.13Å
361	K	90.8	Very high	89.2	Confident	127 Å²	127	101.1 Å²	101.1	55%	0.552	48%	0.475	S	S	*	.	H	α-helix	trans	-62.1	-41.3	174.9	-170.9	175.3	-176.7	176.3	0	111.6	K357 R358 K364 R365	K357-K361 WeakPolarHBondContact O-CB 3.33Å; K357-K361 PolarHBondContact O-N 3Å; K357-K361 VanDerWaalsContact O-N 3.09Å; R358-K361 PolarHBondContact O-N 3.14Å; K361-K364 PolarHBondContact O-N 3.28Å; K361-R365 WeakPolarHBondContact O-CG 3.42Å; K361-R365 PolarHBondContact O-N 3.42Å
362	Y	89	Confident	88.7	Confident	114 Å²	114	100.8 Å²	100.8	45%	0.447	48%	0.477	S	S	.	.	H	α-helix	trans	-64.1	-47.2	176.3	-176.6	-105.8	0	0	0	111.8	I334 R358 A359 A360 K364 R365 L366	I334-Y362 HydrophobicContact CD1-CD1 4.19Å; I334-Y362 HydrophobicContact CG1-CD1 4.14Å; I334-Y362 HydrophobicContact CG1-CG 4.37Å; R358-Y362 WeakPolarHBondContact O-CB 3.48Å; R358-Y362 PolarHBondContact O-N 2.88Å; A359-Y362 PolarHBondContact O-N 2.92Å; A360-Y362 VanDerWaalsContact C-N 3.33Å; A360-Y362 PolarHBondContact O-N 2.91Å; Y362-K364 VanDerWaalsContact C-N 3.35Å; Y362-K364 PolarHBondContact O-N 2.9Å; Y362-R365 WeakPolarHBondContact O-CB 3.45Å; Y362-R365 PolarHBondContact O-N 3.28Å; Y362-L366 HydrophobicContact CD1-CD1 3.78Å; Y362-L366 HydrophobicContact CE1-CD1 3.34Å; Y362-L366 HydrophobicContact CE1-CG 4.17Å; Y362-L366 PolarHBondContact O-N 3.05Å
363	K	89.3	Confident	88.3	Confident	142 Å²	142	106.2 Å²	106.2	62%	0.617	50%	0.497	S	S	*	.	H	α-helix	trans	-61	-41.3	175.6	-171.5	176.8	-178.1	178.6	0	112	A359 A360 L366 L367	A359-K363 WeakPolarHBondContact O-CB 3.09Å; A359-K363 PolarHBondContact O-N 2.56Å; A360-K363 PolarHBondContact O-N 2.8Å; K363-L366 PolarHBondContact O-N 3.47Å; K363-L367 HydrophobicContact CG-CD1 4.44Å; K363-L367 WeakPolarHBondContact O-CG 3.31Å; K363-L367 PolarHBondContact O-N 3.46Å
364	K	89.1	Confident	87.5	Confident	143 Å²	143	101.9 Å²	101.9	62%	0.622	49%	0.489	S	S	*	.	H	α-helix	trans	-62.6	-43.1	175.5	-173.4	174.2	-179.4	176.3	0	111.5	A360 K361 Y362 L367 I368	A360-K364 WeakPolarHBondContact O-CB 3.39Å; A360-K364 PolarHBondContact O-N 3.13Å; K361-K364 PolarHBondContact O-N 3.28Å; Y362-K364 VanDerWaalsContact C-N 3.35Å; Y362-K364 PolarHBondContact O-N 2.9Å; K364-L367 PolarHBondContact O-N 3.11Å; K364-I368 HydrophobicContact CG-CD1 4Å; K364-I368 VanDerWaalsContact O-CG1 3.29Å; K364-I368 WeakPolarHBondContact O-CG1 3.42Å; K364-I368 PolarHBondContact O-N 3.5Å
365	R	88.2	Confident	86.6	Confident	143 Å²	143	106.5 Å²	106.5	54%	0.54	51%	0.509	S	S	.	.	H	α-helix	trans	-60.5	-47.5	174.8	-75.4	175.2	173.8	-174.9	-6.7	111.7	K361 Y362 L367 I368 E369	K361-R365 WeakPolarHBondContact O-CG 3.42Å; K361-R365 PolarHBondContact O-N 3.42Å; Y362-R365 WeakPolarHBondContact O-CB 3.45Å; Y362-R365 PolarHBondContact O-N 3.28Å; R365-L367 VanDerWaalsContact C-N 3.3Å; R365-L367 PolarHBondContact O-N 3.17Å; R365-I368 PolarHBondContact O-N 3.21Å; R365-E369 WeakPolarHBondContact O-CG 3.05Å; R365-E369 PolarHBondContact O-N 2.81Å
366	L	86.2	Confident	85.3	Confident	62 Å²	62	110.4 Å²	110.4	33%	0.325	54%	0.538	S	S	.	.	H	α-helix	trans	-59.5	-38.6	176.3	-76.9	172.2	0	0	0	113	Y362 K363 K370	Y362-L366 HydrophobicContact CD1-CD1 3.78Å; Y362-L366 HydrophobicContact CE1-CD1 3.34Å; Y362-L366 HydrophobicContact CE1-CG 4.17Å; Y362-L366 PolarHBondContact O-N 3.05Å; K363-L366 PolarHBondContact O-N 3.47Å; L366-K370 WeakPolarHBondContact O-CB 3.35Å; L366-K370 WeakPolarHBondContact O-CG 3.46Å; L366-K370 PolarHBondContact O-N 3.27Å
367	L	87.1	Confident	83.7	Confident	104 Å²	104	112.4 Å²	112.4	55%	0.545	56%	0.564	S	S	.	*	H	α-helix	trans	-68.5	-40.9	176.3	-74	171.5	0	0	0	112.1	K363 K364 R365 K370 A371	K363-L367 HydrophobicContact CG-CD1 4.44Å; K363-L367 WeakPolarHBondContact O-CG 3.31Å; K363-L367 PolarHBondContact O-N 3.46Å; K364-L367 PolarHBondContact O-N 3.11Å; R365-L367 VanDerWaalsContact C-N 3.3Å; R365-L367 PolarHBondContact O-N 3.17Å; L367-K370 PolarHBondContact O-N 3.19Å; L367-A371 WeakPolarHBondContact O-CB 3.22Å; L367-A371 PolarHBondContact O-N 3.45Å
368	I	86	Confident	83.3	Confident	85 Å²	85	109.9 Å²	109.9	44%	0.436	56%	0.557	S	S	.	*	H	α-helix	trans	-63.7	-46.8	175.6	-67.4	165.6	0	0	0	109.9	K364 R365 K370 A371 M372	K364-I368 HydrophobicContact CG-CD1 4Å; K364-I368 VanDerWaalsContact O-CG1 3.29Å; K364-I368 WeakPolarHBondContact O-CG1 3.42Å; K364-I368 PolarHBondContact O-N 3.5Å; R365-I368 PolarHBondContact O-N 3.21Å; I368-K370 VanDerWaalsContact C-N 3.31Å; I368-K370 PolarHBondContact O-N 3.13Å; I368-A371 PolarHBondContact O-N 2.94Å; I368-M372 HydrophobicContact CG2-CG 4.23Å; I368-M372 HydrophobicContact CG2-SD 3.89Å; I368-M372 WeakPolarHBondContact O-CB 3.22Å; I368-M372 VanDerWaalsContact O-CG 3.29Å; I368-M372 WeakPolarHBondContact O-CG 3.47Å; I368-M372 PolarHBondContact O-N 3.48Å
369	E	86.5	Confident	82.9	Confident	106 Å²	106	110.3 Å²	110.3	50%	0.495	57%	0.566	S	S	.	*	H	α-helix	trans	-59.9	-40.1	176.8	-74.8	171.3	-167.1	0	0	112.1	R365 K373	R365-E369 WeakPolarHBondContact O-CG 3.05Å; R365-E369 PolarHBondContact O-N 2.81Å; E369-K373 WeakPolarHBondContact O-CG 3.41Å; E369-K373 PolarHBondContact O-N 3.37Å; E369-K373 VanDerWaalsContact O-N 3.09Å
370	K	86.2	Confident	82.5	Confident	137 Å²	137	115.1 Å²	115.1	60%	0.596	59%	0.586	S	S	*	*	H	α-helix	trans	-65.7	-43.3	173.6	-77.1	-177.6	179.4	-170.2	0	112.5	L366 L367 I368 K373 N374	L366-K370 WeakPolarHBondContact O-CB 3.35Å; L366-K370 WeakPolarHBondContact O-CG 3.46Å; L366-K370 PolarHBondContact O-N 3.27Å; L367-K370 PolarHBondContact O-N 3.19Å; I368-K370 VanDerWaalsContact C-N 3.31Å; I368-K370 PolarHBondContact O-N 3.13Å; K370-K373 PolarHBondContact O-N 3.34Å; K370-N374 PolarHBondContact O-N 3.23Å; K370-N374 VanDerWaalsContact O-N 3.1Å; K370-N374 PolarHBondContact O-OD1 2.74Å
371	A	83.6	Confident	82.1	Confident	48 Å²	48	118.2 Å²	118.2	40%	0.397	59%	0.59	S	S	.	*	H	α-helix	trans	-66.3	-39.4	179.1	0	0	0	0	0	111.9	L367 I368 N374 L375	L367-A371 WeakPolarHBondContact O-CB 3.22Å; L367-A371 PolarHBondContact O-N 3.45Å; I368-A371 PolarHBondContact O-N 2.94Å; A371-N374 PolarHBondContact O-N 3.4Å; A371-L375 PolarHBondContact O-N 2.68Å
372	M	82.1	Confident	81.5	Confident	129 Å²	129	117.6 Å²	117.6	64%	0.635	59%	0.592	S	S	*	*	H	α-helix	trans	-65	-39.9	176	-69.7	-176.8	86.9	0	0	111.7	I368 N374 L375 S376	I368-M372 HydrophobicContact CG2-CG 4.23Å; I368-M372 HydrophobicContact CG2-SD 3.89Å; I368-M372 WeakPolarHBondContact O-CB 3.22Å; I368-M372 VanDerWaalsContact O-CG 3.29Å; I368-M372 WeakPolarHBondContact O-CG 3.47Å; I368-M372 PolarHBondContact O-N 3.48Å; M372-N374 VanDerWaalsContact C-N 3.31Å; M372-N374 PolarHBondContact O-N 3.14Å; M372-L375 PolarHBondContact O-N 3.37Å; M372-S376 PolarHBondContact O-N 3.28Å; M372-S376 VanDerWaalsContact O-N 3.17Å; M372-S376 PolarHBondContact O-OG 3.05Å
373	K	82	Confident	81	Confident	146 Å²	146	117.9 Å²	117.9	64%	0.635	60%	0.602	S	S	*	*	H	α-helix	trans	-63.2	-35.7	173.8	-75.4	178.9	179.9	-175.5	0	112.9	E369 K370 S376 S377	E369-K373 WeakPolarHBondContact O-CG 3.41Å; E369-K373 PolarHBondContact O-N 3.37Å; E369-K373 VanDerWaalsContact O-N 3.09Å; K370-K373 PolarHBondContact O-N 3.34Å; K373-S376 PolarHBondContact O-OG 3.29Å; K373-S376 VanDerWaalsContact O-OG 3.05Å; K373-S377 PolarHBondContact O-OG 3.29Å
374	N	76.9	Confident	80.5	Confident	122 Å²	122	116.1 Å²	116.1	65%	0.652	60%	0.601	S	S	*	*	H	α-helix	trans	-76.8	-24.6	178.6	-69.5	-5.5	0	0	0	113.7	K370 A371 M372	K370-N374 PolarHBondContact O-N 3.23Å; K370-N374 VanDerWaalsContact O-N 3.1Å; K370-N374 PolarHBondContact O-OD1 2.74Å; A371-N374 PolarHBondContact O-N 3.4Å; M372-N374 VanDerWaalsContact C-N 3.31Å; M372-N374 PolarHBondContact O-N 3.14Å
375	L	69.7	Low	79.8	Confident	152 Å²	152	114.1 Å²	114.1	80%	0.796	60%	0.599	S	S	*	*	H	α-helix	trans	-85.2	-19.7	175.8	-78.9	158.6	0	0	0	113	A371 M372 S377	A371-L375 PolarHBondContact O-N 2.68Å; M372-L375 PolarHBondContact O-N 3.37Å; L375-S377 VanDerWaalsContact C-N 3.33Å
376	S	64.7	Low	79.1	Confident	101 Å²	101	111.7 Å²	111.7	71%	0.706	60%	0.604	S	S	*	*			trans	-89.4	0.4	172.8	63.4	0	0	0	0	113.6	M372 K373	M372-S376 PolarHBondContact O-N 3.28Å; M372-S376 VanDerWaalsContact O-N 3.17Å; M372-S376 PolarHBondContact O-OG 3.05Å; K373-S376 PolarHBondContact O-OG 3.29Å; K373-S376 VanDerWaalsContact O-OG 3.05Å
377	S	58	Low	78.4	Confident	148 Å²	148	116.2 Å²	116.2	100%	1.035	63%	0.63	S	S	*	*			trans	-102.7	0	171.5	-51.2	0	0	0	0	108.4	K373 L375	K373-S377 PolarHBondContact O-OG 3.29Å; L375-S377 VanDerWaalsContact C-N 3.33Å

Retrieved 377 of 377 residues in 122.3 ms (Link to these results)

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