A0A077D856_DROME Loading...

IR52b

AlphaFold DB , UniProt , Accession A0A077D856, Species DROME (Drosophila melanogaster, Fruit fly), Gene IR52b, Length 586 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	56.2	Low	61.2	Low	209 Å²	209	126.1 Å²	126.1	100%	1.03	64%	0.642	S	S	*	*				0	-35.3	0	-76.9	-62.2	-164.3	0	0	113.3
2	T	57.5	Low	61.6	Low	115 Å²	115	118.9 Å²	118.9	71%	0.706	62%	0.623	S	S	*	*	H	α-helix	trans	-73.4	-33.5	-178.7	35.3	0	0	0	0	115.5	L4 I6	T2-L4 PolarHBondContact O-N 3.46Å; T2-I6 PolarHBondContact O-N 3.4Å
3	W	53.8	Low	62.2	Low	218 Å²	218	121.2 Å²	121.2	83%	0.826	62%	0.62	S	S	*	*	H	α-helix	trans	-69.2	-30.4	179.5	-122.7	50.1	0	0	0	114	L7	W3-L7 PolarHBondContact O-N 2.84Å; W3-L7 VanDerWaalsContact O-N 3.11Å
4	L	55.3	Low	62	Low	120 Å²	120	119.9 Å²	119.9	63%	0.628	61%	0.612	S	S	*	*	H	α-helix	trans	-74.9	-31.1	-177.4	-147.7	139	0	0	0	111.8	T2 L8	T2-L4 PolarHBondContact O-N 3.46Å; L4-L8 HydrophobicContact CD2-CD1 3.84Å; L4-L8 WeakPolarHBondContact O-CB 3.45Å; L4-L8 WeakPolarHBondContact O-CG 3.31Å; L4-L8 PolarHBondContact O-N 3.46Å
5	V	64.2	Low	61.8	Low	88 Å²	88	115.9 Å²	115.9	53%	0.533	60%	0.604	S	S	.	*	H	α-helix	trans	-72.1	-39.6	174.6	179.8	0	0	0	0	111.3	L8 C9	V5-L8 PolarHBondContact O-N 3.38Å; V5-C9 WeakPolarHBondContact O-CB 3.34Å; V5-C9 PolarHBondContact O-N 2.84Å; V5-C9 PolarHBondContact O-SG 3.05Å; V5-C9 VanDerWaalsContact O-SG 3.38Å
6	I	66	Low	61.8	Low	100 Å²	100	112.4 Å²	112.4	51%	0.513	60%	0.597	S	S	.	*	H	α-helix	trans	-67.3	-40	176.8	-62.6	168.4	0	0	0	110.5	T2 C9 F10	T2-I6 PolarHBondContact O-N 3.4Å; I6-C9 PolarHBondContact O-N 3.4Å; I6-F10 HydrophobicContact CG2-CD2 4.23Å; I6-F10 WeakPolarHBondContact O-CB 3.2Å; I6-F10 PolarHBondContact O-N 2.81Å
7	L	66.1	Low	61.8	Low	102 Å²	102	111.2 Å²	111.2	53%	0.534	59%	0.587	S	S	.	*	H	α-helix	trans	-65.1	-40.6	176.2	-152.4	110.3	0	0	0	111.8	W3 F10 L11	W3-L7 PolarHBondContact O-N 2.84Å; W3-L7 VanDerWaalsContact O-N 3.11Å; L7-F10 PolarHBondContact O-N 3.42Å; L7-L11 HydrophobicContact CD2-CD1 3.81Å; L7-L11 HydrophobicContact CG-CD1 4.36Å; L7-L11 VanDerWaalsContact O-CB 3.31Å; L7-L11 WeakPolarHBondContact O-CB 3.44Å; L7-L11 WeakPolarHBondContact O-CD1 3.27Å; L7-L11 WeakPolarHBondContact O-CG 3.15Å; L7-L11 PolarHBondContact O-N 3.11Å
8	L	64.6	Low	61.6	Low	108 Å²	108	111.1 Å²	111.1	57%	0.565	59%	0.585	S	S	*	*	H	α-helix	trans	-67.2	-37.2	174.3	-79	166.2	0	0	0	112.8	L4 V5 G12	L4-L8 HydrophobicContact CD2-CD1 3.84Å; L4-L8 WeakPolarHBondContact O-CB 3.45Å; L4-L8 WeakPolarHBondContact O-CG 3.31Å; L4-L8 PolarHBondContact O-N 3.46Å; V5-L8 PolarHBondContact O-N 3.38Å; L8-G12 PolarHBondContact O-N 2.89Å
9	C	63.5	Low	61.4	Low	85 Å²	85	108 Å²	108	57%	0.574	58%	0.577	S	S	*	*	H	α-helix	trans	-69	-38	173.7	-74.8	0	0	0	0	112.1	V5 I6 G12 Y13	V5-C9 WeakPolarHBondContact O-CB 3.34Å; V5-C9 PolarHBondContact O-N 2.84Å; V5-C9 PolarHBondContact O-SG 3.05Å; V5-C9 VanDerWaalsContact O-SG 3.38Å; I6-C9 PolarHBondContact O-N 3.4Å; C9-G12 PolarHBondContact O-N 3.35Å; C9-Y13 VanDerWaalsContact O-CB 3.27Å; C9-Y13 WeakPolarHBondContact O-CB 3.42Å; C9-Y13 PolarHBondContact O-N 3.46Å
10	F	63.5	Low	61.4	Low	139 Å²	139	107.9 Å²	107.9	61%	0.61	58%	0.576	S	S	*	*	H	α-helix	trans	-68.7	-41	173.5	-107.2	-87.1	0	0	0	111.9	I6 L7 Y13 M14	I6-F10 HydrophobicContact CG2-CD2 4.23Å; I6-F10 WeakPolarHBondContact O-CB 3.2Å; I6-F10 PolarHBondContact O-N 2.81Å; L7-F10 PolarHBondContact O-N 3.42Å; F10-Y13 PolarHBondContact O-N 2.88Å; F10-M14 WeakPolarHBondContact O-CB 3.33Å; F10-M14 WeakPolarHBondContact O-CG 3.15Å; F10-M14 PolarHBondContact O-N 2.83Å
11	L	62.3	Low	61.5	Low	103 Å²	103	107 Å²	107	54%	0.539	57%	0.571	S	S	.	*	H	α-helix	trans	-63.4	-40.8	172.7	-85	156.2	0	0	0	111.6	L7 A15	L7-L11 HydrophobicContact CD2-CD1 3.81Å; L7-L11 HydrophobicContact CG-CD1 4.36Å; L7-L11 VanDerWaalsContact O-CB 3.31Å; L7-L11 WeakPolarHBondContact O-CB 3.44Å; L7-L11 WeakPolarHBondContact O-CD1 3.27Å; L7-L11 WeakPolarHBondContact O-CG 3.15Å; L7-L11 PolarHBondContact O-N 3.11Å; L11-A15 WeakPolarHBondContact O-CB 3.48Å; L11-A15 PolarHBondContact O-N 3.5Å
12	G	65.8	Low	61.8	Low	40 Å²	40	100.5 Å²	100.5	41%	0.412	55%	0.546	S	S	.	.	H	α-helix	trans	-66.2	-40.8	174.9	0	0	0	0	0	112.8	L8 C9 A15 A16	L8-G12 PolarHBondContact O-N 2.89Å; C9-G12 PolarHBondContact O-N 3.35Å; G12-A15 PolarHBondContact O-N 2.83Å; G12-A16 VanDerWaalsContact O-CB 3.28Å; G12-A16 WeakPolarHBondContact O-CB 3.45Å; G12-A16 PolarHBondContact O-N 3.36Å
13	Y	69.4	Low	62.3	Low	149 Å²	149	98.2 Å²	98.2	58%	0.584	53%	0.532	S	S	*	.	H	α-helix	trans	-67.4	-43.9	175.5	-174.3	-99.6	0	0	0	111.6	C9 F10 A16 H17	C9-Y13 VanDerWaalsContact O-CB 3.27Å; C9-Y13 WeakPolarHBondContact O-CB 3.42Å; C9-Y13 PolarHBondContact O-N 3.46Å; F10-Y13 PolarHBondContact O-N 2.88Å; Y13-A16 PolarHBondContact O-N 3.36Å; Y13-H17 VanDerWaalsContact O-CB 3.3Å; Y13-H17 WeakPolarHBondContact O-CB 3.37Å; Y13-H17 PolarHBondContact O-N 3.24Å
14	M	59.8	Low	63	Low	103 Å²	103	94 Å²	94	51%	0.507	52%	0.521	S	S	.	.	H	α-helix	trans	-65.7	-40.5	175.2	-69.3	-63.4	-74.4	0	0	111.6	F10 H17 I18	F10-M14 WeakPolarHBondContact O-CB 3.33Å; F10-M14 WeakPolarHBondContact O-CG 3.15Å; F10-M14 PolarHBondContact O-N 2.83Å; M14-H17 PolarHBondContact O-N 2.97Å; M14-I18 WeakPolarHBondContact O-CB 3.3Å; M14-I18 WeakPolarHBondContact O-CD1 3.28Å; M14-I18 WeakPolarHBondContact O-CG1 3.3Å; M14-I18 PolarHBondContact O-N 2.92Å
15	A	58.5	Low	63.5	Low	60 Å²	60	92.6 Å²	92.6	50%	0.496	52%	0.515	S	S	.	.	H	α-helix	trans	-64.1	-41.9	174.9	0	0	0	0	0	111.9	L11 G12 A19	L11-A15 WeakPolarHBondContact O-CB 3.48Å; L11-A15 PolarHBondContact O-N 3.5Å; G12-A15 PolarHBondContact O-N 2.83Å; A15-A19 VanDerWaalsContact O-CB 3.3Å; A15-A19 WeakPolarHBondContact O-CB 3.36Å; A15-A19 PolarHBondContact O-N 2.89Å
16	A	61.5	Low	63.9	Low	60 Å²	60	91.7 Å²	91.7	50%	0.496	51%	0.505	S	S	.	.	H	α-helix	trans	-64.9	-41.5	174.8	0	0	0	0	0	111.8	G12 Y13 A19 D20	G12-A16 VanDerWaalsContact O-CB 3.28Å; G12-A16 WeakPolarHBondContact O-CB 3.45Å; G12-A16 PolarHBondContact O-N 3.36Å; Y13-A16 PolarHBondContact O-N 3.36Å; A16-A19 PolarHBondContact O-N 3.38Å; A16-D20 PolarHBondContact O-N 3.41Å
17	H	61.9	Low	64.2	Low	92 Å²	92	95.1 Å²	95.1	43%	0.426	51%	0.511	S	S	.	.	H	α-helix	trans	-70	-35.5	179.9	-150.8	-34.3	0	0	0	112.4	Y13 M14 I21	Y13-H17 VanDerWaalsContact O-CB 3.3Å; Y13-H17 WeakPolarHBondContact O-CB 3.37Å; Y13-H17 PolarHBondContact O-N 3.24Å; M14-H17 PolarHBondContact O-N 2.97Å; H17-I21 WeakPolarHBondContact O-CD1 3.48Å; H17-I21 VanDerWaalsContact O-CG1 3.28Å; H17-I21 WeakPolarHBondContact O-CG1 3.37Å; H17-I21 PolarHBondContact O-N 3.13Å
18	I	58.7	Low	64.8	Low	109 Å²	109	94.5 Å²	94.5	56%	0.559	51%	0.508	S	S	*	.	H	α-helix	trans	-67.8	-41	172.1	-69.5	164.1	0	0	0	110.4	M14 D20 I21 S22	M14-I18 WeakPolarHBondContact O-CB 3.3Å; M14-I18 WeakPolarHBondContact O-CD1 3.28Å; M14-I18 WeakPolarHBondContact O-CG1 3.3Å; M14-I18 PolarHBondContact O-N 2.92Å; I18-D20 VanDerWaalsContact C-N 3.34Å; I18-D20 PolarHBondContact O-N 2.86Å; I18-I21 PolarHBondContact O-N 3.03Å; I18-S22 WeakPolarHBondContact O-CB 3.39Å; I18-S22 PolarHBondContact O-N 3.45Å
19	A	58.8	Low	65.4	Low	52 Å²	52	89.9 Å²	89.9	43%	0.43	48%	0.483	S	S	.	.	H	α-helix	trans	-62.6	-40.7	175.5	0	0	0	0	0	111.8	A15 A16 S22 V23	A15-A19 VanDerWaalsContact O-CB 3.3Å; A15-A19 WeakPolarHBondContact O-CB 3.36Å; A15-A19 PolarHBondContact O-N 2.89Å; A16-A19 PolarHBondContact O-N 3.38Å; A19-S22 WeakPolarHBondContact O-CB 3.48Å; A19-S22 PolarHBondContact O-N 3.23Å; A19-V23 VanDerWaalsContact O-CG2 3.3Å; A19-V23 WeakPolarHBondContact O-CG2 3.47Å; A19-V23 PolarHBondContact O-N 2.88Å
20	D	60.8	Low	66.4	Low	105 Å²	105	87 Å²	87	56%	0.561	46%	0.462	S	S	*	.	H	α-helix	trans	-67	-41	179.6	-142.8	11.3	0	0	0	112	A16 I18 S22 V23 Q24	A16-D20 PolarHBondContact O-N 3.41Å; I18-D20 VanDerWaalsContact C-N 3.34Å; I18-D20 PolarHBondContact O-N 2.86Å; D20-S22 VanDerWaalsContact C-N 3.33Å; D20-S22 PolarHBondContact O-N 3.4Å; D20-V23 PolarHBondContact O-N 3.28Å; D20-Q24 PolarHBondContact O-N 3.02Å
21	I	64.2	Low	67.4	Low	91 Å²	91	84.9 Å²	84.9	47%	0.467	46%	0.457	S	S	.	.	H	α-helix	trans	-63	-40.7	173.3	-66.8	164.7	0	0	0	110.9	H17 I18 Q24 N25	H17-I21 WeakPolarHBondContact O-CD1 3.48Å; H17-I21 VanDerWaalsContact O-CG1 3.28Å; H17-I21 WeakPolarHBondContact O-CG1 3.37Å; H17-I21 PolarHBondContact O-N 3.13Å; I18-I21 PolarHBondContact O-N 3.03Å; I21-Q24 PolarHBondContact O-N 3.35Å; I21-N25 PolarHBondContact O-N 3.14Å
22	S	61.7	Low	68.6	Low	71 Å²	71	81.5 Å²	81.5	50%	0.497	44%	0.439	S	S	.	.	H	α-helix	trans	-62	-44	175.5	-172	0	0	0	0	111.8	I18 A19 D20 N25 Q26	I18-S22 WeakPolarHBondContact O-CB 3.39Å; I18-S22 PolarHBondContact O-N 3.45Å; A19-S22 WeakPolarHBondContact O-CB 3.48Å; A19-S22 PolarHBondContact O-N 3.23Å; D20-S22 VanDerWaalsContact C-N 3.33Å; D20-S22 PolarHBondContact O-N 3.4Å; S22-N25 PolarHBondContact O-N 3.46Å; S22-Q26 WeakPolarHBondContact O-CB 3.19Å; S22-Q26 PolarHBondContact O-N 3.21Å
23	V	67.2	Low	69.6	Low	68 Å²	68	79.6 Å²	79.6	41%	0.412	42%	0.419	S	S	.	.	H	α-helix	trans	-65.8	-38.9	178.6	171	0	0	0	0	111.3	A19 D20 Q26 R27	A19-V23 VanDerWaalsContact O-CG2 3.3Å; A19-V23 WeakPolarHBondContact O-CG2 3.47Å; A19-V23 PolarHBondContact O-N 2.88Å; D20-V23 PolarHBondContact O-N 3.28Å; V23-Q26 PolarHBondContact O-N 3.17Å; V23-R27 WeakPolarHBondContact O-CG 3.3Å; V23-R27 PolarHBondContact O-N 3.48Å
24	Q	68.8	Low	70.5	Confident	128 Å²	128	73.8 Å²	73.8	60%	0.598	40%	0.398	S	S	*	.	H	α-helix	trans	-70	-39.4	178.6	-170.2	151.5	-8.1	0	0	112.7	D20 I21 Q26 R27 L28	D20-Q24 PolarHBondContact O-N 3.02Å; I21-Q24 PolarHBondContact O-N 3.35Å; Q24-Q26 VanDerWaalsContact C-N 3.33Å; Q24-R27 PolarHBondContact O-N 3.38Å; Q24-L28 PolarHBondContact O-N 2.98Å; Q24-L28 VanDerWaalsContact O-N 3.15Å
25	N	67.1	Low	71.9	Confident	92 Å²	92	72.7 Å²	72.7	49%	0.492	39%	0.394	S	S	.	.	H	α-helix	trans	-63.3	-39.6	171.8	-79.6	-14	0	0	0	111.8	I21 S22 L28 M29	I21-N25 PolarHBondContact O-N 3.14Å; S22-N25 PolarHBondContact O-N 3.46Å; N25-L28 PolarHBondContact O-N 3.47Å; N25-M29 WeakPolarHBondContact O-CG 3.44Å; N25-M29 PolarHBondContact O-N 3.28Å
26	Q	71.1	Confident	73.5	Confident	69 Å²	69	69.9 Å²	69.9	32%	0.322	37%	0.371	S	S	.	.	H	α-helix	trans	-61.3	-45.3	176	-161.1	72.4	13.4	0	0	111.7	S22 V23 Q24 L28 M29 D30	S22-Q26 WeakPolarHBondContact O-CB 3.19Å; S22-Q26 PolarHBondContact O-N 3.21Å; V23-Q26 PolarHBondContact O-N 3.17Å; Q24-Q26 VanDerWaalsContact C-N 3.33Å; Q26-L28 VanDerWaalsContact C-N 3.32Å; Q26-L28 PolarHBondContact O-N 2.7Å; Q26-M29 WeakPolarHBondContact O-CB 3.4Å; Q26-M29 PolarHBondContact O-N 2.93Å; Q26-D30 VanDerWaalsContact O-CG 3.27Å; Q26-D30 PolarHBondContact O-N 3.36Å
27	R	73.6	Confident	74.9	Confident	172 Å²	172	67 Å²	67	65%	0.649	35%	0.347	S	S	*	.	H	α-helix	trans	-62.7	-36.7	177.5	-73.6	-178.6	-176.2	175.6	3.8	113.1	V23 Q24 N31	V23-R27 WeakPolarHBondContact O-CG 3.3Å; V23-R27 PolarHBondContact O-N 3.48Å; Q24-R27 PolarHBondContact O-N 3.38Å; R27-N31 PolarHBondContact O-N 3.24Å; R27-N31 VanDerWaalsContact O-N 3.12Å; R27-N31 PolarHBondContact O-ND2 3.27Å
28	L	77.2	Confident	76.3	Confident	89 Å²	89	66.7 Å²	66.7	47%	0.466	35%	0.348	S	S	.	.	H	α-helix	trans	-67.9	-42.1	176	-77.1	161.8	0	0	0	111.3	Q24 N25 Q26 N31 E32 T145	Q24-L28 PolarHBondContact O-N 2.98Å; Q24-L28 VanDerWaalsContact O-N 3.15Å; N25-L28 PolarHBondContact O-N 3.47Å; Q26-L28 VanDerWaalsContact C-N 3.32Å; Q26-L28 PolarHBondContact O-N 2.7Å; L28-N31 PolarHBondContact O-N 3.17Å; L28-E32 PolarHBondContact O-N 3.46Å; L28-T145 HydrophobicContact CB-CG2 3.84Å
29	M	78.6	Confident	77.8	Confident	11 Å²	11	63.2 Å²	63.2	5%	0.054	33%	0.329	C	S	.	.	H	α-helix	trans	-61.2	-46.9	173.1	-75.2	-66	-62.8	0	0	111.6	N25 Q26 N31 E32 L33 E142 F144 T145	N25-M29 WeakPolarHBondContact O-CG 3.44Å; N25-M29 PolarHBondContact O-N 3.28Å; Q26-M29 WeakPolarHBondContact O-CB 3.4Å; Q26-M29 PolarHBondContact O-N 2.93Å; M29-N31 VanDerWaalsContact C-N 3.32Å; M29-N31 PolarHBondContact O-N 3.49Å; M29-E32 PolarHBondContact O-N 2.92Å; M29-L33 WeakPolarHBondContact O-CB 3.45Å; M29-L33 WeakPolarHBondContact O-CG 3.3Å; M29-L33 PolarHBondContact O-N 3.31Å; M29-E142 WeakPolarHBondContact CE-O 3.28Å; M29-F144 HydrophobicContact CE-CB 3.74Å; M29-F144 HydrophobicContact SD-CB 4.09Å; M29-T145 HydrophobicContact CB-CG2 4.28Å; M29-T145 HydrophobicContact CG-CG2 3.65Å; M29-T145 HydrophobicContact SD-CG2 3.32Å; M29-T145 WeakPolarHBondContact SD-CG2 3.23Å; M29-T145 PolarHBondContact SD-N 3.48Å; M29-T145 VanDerWaalsContact SD-N 3.36Å; M29-T145 PolarHBondContact SD-OG1 2.86Å
30	D	83	Confident	79.4	Confident	23 Å²	23	60.7 Å²	60.7	12%	0.123	31%	0.308	C	S	.	.	H	α-helix	trans	-56.3	-46.1	177.9	-72.2	-24	0	0	0	111.2	Q26 E32 L33 I34 S60 V61	Q26-D30 VanDerWaalsContact O-CG 3.27Å; Q26-D30 PolarHBondContact O-N 3.36Å; D30-E32 PolarHBondContact O-N 2.94Å; D30-L33 PolarHBondContact O-N 3.45Å; D30-I34 VanDerWaalsContact O-CG1 3.25Å; D30-I34 WeakPolarHBondContact O-CG1 3.47Å; D30-I34 PolarHBondContact O-N 2.03Å; D30-S60 PolarHBondContact OD1-OG 2.91Å; D30-V61 HydrophobicContact CB-CG2 4.28Å; D30-V61 WeakPolarHBondContact OD1-CG2 3.43Å
31	N	85.1	Confident	80.9	Confident	95 Å²	95	59 Å²	59	51%	0.508	29%	0.294	S	S	.	.	H	α-helix	trans	-62.7	-42.4	179.3	-76.1	-17.4	0	0	0	113	R27 L28 M29 I34 N35	R27-N31 PolarHBondContact O-N 3.24Å; R27-N31 VanDerWaalsContact O-N 3.12Å; R27-N31 PolarHBondContact O-ND2 3.27Å; L28-N31 PolarHBondContact O-N 3.17Å; M29-N31 VanDerWaalsContact C-N 3.32Å; M29-N31 PolarHBondContact O-N 3.49Å; N31-I34 PolarHBondContact O-N 3.36Å; N31-N35 VanDerWaalsContact O-CG 3.3Å; N31-N35 PolarHBondContact O-N 2.96Å; N31-N35 PolarHBondContact O-ND2 3.42Å
32	E	86.7	Confident	82.2	Confident	32 Å²	32	61.5 Å²	61.5	15%	0.15	31%	0.308	C	S	.	.	H	α-helix	trans	-70.4	-35.6	178.3	-67.7	-70.2	-172.7	0	0	111.6	L28 M29 D30 N35 L36 F144 T145 K148 L166	L28-E32 PolarHBondContact O-N 3.46Å; M29-E32 PolarHBondContact O-N 2.92Å; D30-E32 PolarHBondContact O-N 2.94Å; E32-N35 WeakPolarHBondContact O-CB 3.4Å; E32-N35 PolarHBondContact O-N 3.23Å; E32-L36 PolarHBondContact O-N 2.68Å; E32-F144 HydrophobicContact CB-CD1 3.86Å; E32-F144 HydrophobicContact CB-CE1 3.82Å; E32-T145 HydrophobicContact CG-CG2 4.46Å; E32-K148 WeakPolarHBondContact OE1-CE 3.41Å; E32-K148 IonicContact OE1-NZ 3.81Å; E32-K148 PolarHBondContact OE1-NZ 3.29Å; E32-K148 IonicContact OE2-NZ 3.94Å; E32-L166 VanDerWaalsContact OE2-CD2 3.28Å; E32-L166 WeakPolarHBondContact OE2-CD2 3.4Å
33	L	87.5	Confident	83.5	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-65.9	-39.5	172.8	-71	178.6	0	0	0	112	M29 D30 N35 L36 L37 F58 V61 V140 F144	M29-L33 WeakPolarHBondContact O-CB 3.45Å; M29-L33 WeakPolarHBondContact O-CG 3.3Å; M29-L33 PolarHBondContact O-N 3.31Å; D30-L33 PolarHBondContact O-N 3.45Å; L33-N35 VanDerWaalsContact C-N 3.35Å; L33-L36 WeakPolarHBondContact O-CB 3.45Å; L33-L36 PolarHBondContact O-N 2.89Å; L33-L37 WeakPolarHBondContact O-CG 3.3Å; L33-L37 PolarHBondContact O-N 3.28Å; L33-F58 HydrophobicContact CD1-CD1 4.34Å; L33-F58 HydrophobicContact CD1-CE1 4.14Å; L33-F58 HydrophobicContact CD2-CE1 4Å; L33-V61 HydrophobicContact CB-CG1 4.19Å; L33-V61 HydrophobicContact CB-CG2 3.93Å; L33-V61 HydrophobicContact CD1-CG2 3.93Å; L33-V140 HydrophobicContact CD2-CG1 4.33Å; L33-F144 HydrophobicContact CD2-CD1 4.16Å; L33-F144 HydrophobicContact CD2-CE1 4.43Å
34	I	88.8	Confident	84.6	Confident	26 Å²	26	62.6 Å²	62.6	13%	0.133	30%	0.301	C	S	.	.	H	α-helix	trans	-59.9	-46.5	171.9	-68.1	169.1	0	0	0	110.1	D30 N31 L36 L37 L38 V61 N64	D30-I34 VanDerWaalsContact O-CG1 3.25Å; D30-I34 WeakPolarHBondContact O-CG1 3.47Å; D30-I34 PolarHBondContact O-N 2.03Å; N31-I34 PolarHBondContact O-N 3.36Å; I34-L36 VanDerWaalsContact C-N 3.29Å; I34-L36 PolarHBondContact O-N 2.94Å; I34-L37 PolarHBondContact O-N 2.61Å; I34-L38 HydrophobicContact CG2-CD1 3.99Å; I34-L38 HydrophobicContact CG2-CG 4.32Å; I34-L38 WeakPolarHBondContact O-CG 3.35Å; I34-L38 PolarHBondContact O-N 2.89Å; I34-V61 HydrophobicContact CG1-CG1 3.66Å; I34-N64 HydrophobicContact CD1-CB 3.77Å
35	N	89.6	Confident	85.7	Confident	80 Å²	80	61.8 Å²	61.8	43%	0.428	30%	0.296	S	S	.	.	H	α-helix	trans	-59.7	-40.5	177.6	-71.7	-23.6	0	0	0	112	N31 E32 L33 L38 K39 L166	N31-N35 VanDerWaalsContact O-CG 3.3Å; N31-N35 PolarHBondContact O-N 2.96Å; N31-N35 PolarHBondContact O-ND2 3.42Å; E32-N35 WeakPolarHBondContact O-CB 3.4Å; E32-N35 PolarHBondContact O-N 3.23Å; L33-N35 VanDerWaalsContact C-N 3.35Å; N35-L38 PolarHBondContact O-N 3.16Å; N35-K39 WeakPolarHBondContact O-CB 3.08Å; N35-K39 PolarHBondContact O-N 3.02Å; N35-L166 HydrophobicContact CB-CD2 4.38Å
36	L	90.8	Very high	87	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-46.9	174.9	175.5	57.1	0	0	0	111.8	E32 L33 I34 L38 K39 L40 L113 V140 F144 I150 L166 I172	E32-L36 PolarHBondContact O-N 2.68Å; L33-L36 WeakPolarHBondContact O-CB 3.45Å; L33-L36 PolarHBondContact O-N 2.89Å; I34-L36 VanDerWaalsContact C-N 3.29Å; I34-L36 PolarHBondContact O-N 2.94Å; L36-L38 VanDerWaalsContact C-N 3.35Å; L36-L38 PolarHBondContact O-N 3.38Å; L36-K39 WeakPolarHBondContact O-CB 3.05Å; L36-K39 PolarHBondContact O-N 3.33Å; L36-L40 HydrophobicContact CD1-CD1 4.27Å; L36-L40 HydrophobicContact CD1-CG 4.16Å; L36-L40 HydrophobicContact CG-CD1 4.26Å; L36-L40 WeakPolarHBondContact O-CB 3.43Å; L36-L40 WeakPolarHBondContact O-CG 3.48Å; L36-L40 PolarHBondContact O-N 2.89Å; L36-L113 HydrophobicContact CD2-CD1 4.1Å; L36-L113 HydrophobicContact CD2-CD2 3.89Å; L36-L113 HydrophobicContact CG-CD2 4.37Å; L36-V140 HydrophobicContact CD2-CG2 3.64Å; L36-F144 HydrophobicContact CB-CE1 4.41Å; L36-F144 HydrophobicContact CB-CZ 4.43Å; L36-F144 HydrophobicContact CD2-CE1 4.34Å; L36-F144 HydrophobicContact CD2-CZ 4.08Å; L36-I150 HydrophobicContact CD1-CD1 3.48Å; L36-I150 VanDerWaalsContact CD1-CD1 3.48Å; L36-I150 HydrophobicContact CD1-CG1 4.27Å; L36-L166 HydrophobicContact CB-CD1 3.93Å; L36-L166 HydrophobicContact CD1-CD1 3.88Å; L36-I172 HydrophobicContact CD1-CD1 3.66Å
37	L	91.6	Very high	88	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-43.9	176.7	-72.6	-179.9	0	0	0	111.6	L33 I34 K39 L40 R41 Y46 V61 V65 L87 L89 L113	L33-L37 WeakPolarHBondContact O-CG 3.3Å; L33-L37 PolarHBondContact O-N 3.28Å; I34-L37 PolarHBondContact O-N 2.61Å; L37-K39 PolarHBondContact O-N 2.68Å; L37-L40 PolarHBondContact O-N 3Å; L37-R41 PolarHBondContact O-N 3.07Å; L37-Y46 WeakPolarHBondContact CB-OH 3.43Å; L37-Y46 PolarHBondContact O-OH 2.68Å; L37-V61 HydrophobicContact CD1-CG1 3.64Å; L37-V65 HydrophobicContact CD1-CG2 4.11Å; L37-L87 HydrophobicContact CD2-CD2 3.81Å; L37-L89 HydrophobicContact CD2-CD1 4.34Å; L37-L89 HydrophobicContact CD2-CD2 4Å; L37-L113 HydrophobicContact CD2-CD2 4.25Å
38	L	90.8	Very high	88.9	Confident	84 Å²	84	50.1 Å²	50.1	44%	0.44	25%	0.249	S	C	.	.	H	α-helix	trans	-61.5	-42.3	174.4	-69.9	174.1	0	0	0	112.1	I34 N35 L36 R41 N42	I34-L38 HydrophobicContact CG2-CD1 3.99Å; I34-L38 HydrophobicContact CG2-CG 4.32Å; I34-L38 WeakPolarHBondContact O-CG 3.35Å; I34-L38 PolarHBondContact O-N 2.89Å; N35-L38 PolarHBondContact O-N 3.16Å; L36-L38 VanDerWaalsContact C-N 3.35Å; L36-L38 PolarHBondContact O-N 3.38Å; L38-R41 PolarHBondContact O-N 2.75Å; L38-N42 VanDerWaalsContact O-CG 3.29Å; L38-N42 PolarHBondContact O-N 3.01Å; L38-N42 PolarHBondContact O-ND2 3.27Å
39	K	90.9	Very high	89.6	Confident	36 Å²	36	45.9 Å²	45.9	16%	0.157	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-46.9	174.5	-178.1	176.6	-179.9	179.6	0	111.3	N35 L36 L37 R41 N42 E43 L166 G168 I172	N35-K39 WeakPolarHBondContact O-CB 3.08Å; N35-K39 PolarHBondContact O-N 3.02Å; L36-K39 WeakPolarHBondContact O-CB 3.05Å; L36-K39 PolarHBondContact O-N 3.33Å; L37-K39 PolarHBondContact O-N 2.68Å; K39-R41 VanDerWaalsContact C-N 3.27Å; K39-R41 PolarHBondContact O-N 3.16Å; K39-N42 WeakPolarHBondContact O-CB 3.3Å; K39-N42 PolarHBondContact O-N 3.11Å; K39-N42 VanDerWaalsContact O-N 3.11Å; K39-E43 WeakPolarHBondContact CE-OE1 3.42Å; K39-E43 IonicContact NZ-OE1 2.6Å; K39-E43 PolarHBondContact O-N 3Å; K39-L166 HydrophobicContact CD-CD1 4.15Å; K39-L166 WeakPolarHBondContact CD-O 3.22Å; K39-L166 PolarHBondContact NZ-O 3.47Å; K39-G168 PolarHBondContact NZ-O 2.84Å; K39-I172 HydrophobicContact CD-CD1 4.22Å
40	L	92.3	Very high	90.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-37.5	178	-74.5	176.8	0	0	0	112.4	L36 L37 N42 E44 Y46 L87 R111 L113 I172 F173	L36-L40 HydrophobicContact CD1-CD1 4.27Å; L36-L40 HydrophobicContact CD1-CG 4.16Å; L36-L40 HydrophobicContact CG-CD1 4.26Å; L36-L40 WeakPolarHBondContact O-CB 3.43Å; L36-L40 WeakPolarHBondContact O-CG 3.48Å; L36-L40 PolarHBondContact O-N 2.89Å; L37-L40 PolarHBondContact O-N 3Å; L40-N42 VanDerWaalsContact C-N 3.33Å; L40-E44 CarbonylContact O-C 3.59Å; L40-E44 PolarHBondContact O-N 3.13Å; L40-Y46 HydrophobicContact CB-CE1 4.13Å; L40-L87 HydrophobicContact CD1-CD2 4.17Å; L40-R111 PolarHBondContact O-NH1 3.38Å; L40-L113 HydrophobicContact CD1-CD2 4.19Å; L40-I172 HydrophobicContact CD2-CB 3.95Å; L40-I172 HydrophobicContact CD2-CD1 3.54Å; L40-I172 HydrophobicContact CD2-CG1 4.34Å; L40-I172 HydrophobicContact CD2-CG2 3.99Å; L40-I172 HydrophobicContact CG-CD1 4.16Å; L40-F173 HydrophobicContact CD1-CE2 4.27Å; L40-F173 HydrophobicContact CD2-CD2 3.68Å; L40-F173 HydrophobicContact CD2-CE2 3.47Å; L40-F173 VanDerWaalsContact CD2-CE2 3.47Å; L40-F173 HydrophobicContact CG-CE2 4.5Å
41	R	92.1	Very high	90.3	Very high	69 Å²	69	44.2 Å²	44.2	26%	0.26	22%	0.218	S	C	.	.	H	α-helix	trans	-68	-34.3	176.2	-163.8	176	-176.8	179.4	1.2	112	L37 L38 K39 E44 F45 Y46 D66	L37-R41 PolarHBondContact O-N 3.07Å; L38-R41 PolarHBondContact O-N 2.75Å; K39-R41 VanDerWaalsContact C-N 3.27Å; K39-R41 PolarHBondContact O-N 3.16Å; R41-E44 CarbonylContact O-C 3.57Å; R41-F45 HydrophobicContact CG-CD2 4.24Å; R41-F45 WeakPolarHBondContact O-CA 3.46Å; R41-F45 PolarHBondContact O-N 3.41Å; R41-Y46 HydrophobicContact CB-CD1 3.95Å; R41-Y46 HydrophobicContact CB-CE1 3.46Å; R41-Y46 VanDerWaalsContact CB-CE1 3.46Å; R41-Y46 HydrophobicContact CG-CD1 4.16Å; R41-Y46 HydrophobicContact CG-CE1 4.03Å; R41-Y46 PolarHBondContact NE-O 3.45Å; R41-D66 PolarHBondContact NH1-O 3.08Å
42	N	91	Very high	90.3	Very high	143 Å²	143	41 Å²	41	77%	0.765	20%	0.199	S	C	*	.	H	α-helix	trans	-75.4	-37	176.4	-71	-18.9	0	0	0	112.7	L38 K39 L40	L38-N42 VanDerWaalsContact O-CG 3.29Å; L38-N42 PolarHBondContact O-N 3.01Å; L38-N42 PolarHBondContact O-ND2 3.27Å; K39-N42 WeakPolarHBondContact O-CB 3.3Å; K39-N42 PolarHBondContact O-N 3.11Å; K39-N42 VanDerWaalsContact O-N 3.11Å; L40-N42 VanDerWaalsContact C-N 3.33Å
43	E	90.4	Very high	89.7	Confident	72 Å²	72	39.8 Å²	39.8	34%	0.336	20%	0.196	S	C	.	.	H	α-helix	trans	-66	-48.5	175.5	-75.5	-174.4	-171.6	0	0	111.2	K39 I172	K39-E43 WeakPolarHBondContact CE-OE1 3.42Å; K39-E43 IonicContact NZ-OE1 2.6Å; K39-E43 PolarHBondContact O-N 3Å; E43-I172 PolarHBondContact OE2-N 2.94Å
44	E	89.3	Confident	88.8	Confident	91 Å²	91	46.4 Å²	46.4	43%	0.425	23%	0.225	S	C	.	.	S	Bend	trans	-149.8	123.5	174.4	176.6	-177.5	-159.9	0	0	109.1	L40 R41 R111	L40-E44 CarbonylContact O-C 3.59Å; L40-E44 PolarHBondContact O-N 3.13Å; R41-E44 CarbonylContact O-C 3.57Å; E44-R111 VanDerWaalsContact O-CZ 3.24Å; E44-R111 PolarHBondContact O-NH1 3.45Å; E44-R111 PolarHBondContact O-NH2 2.79Å; E44-R111 WeakPolarHBondContact OE2-CD 3.38Å; E44-R111 IonicContact OE2-CZ 3.14Å; E44-R111 IonicContact OE2-NE 3.84Å; E44-R111 PolarHBondContact OE2-NE 3.08Å; E44-R111 IonicContact OE2-NH1 2.67Å
45	F	92.6	Very high	88	Confident	111 Å²	111	53 Å²	53	49%	0.487	26%	0.26	S	S	.	.			trans	-59.9	141.1	-171.5	-175.6	-99.6	0	0	0	112.5	R41 D47 L85 R111	R41-F45 HydrophobicContact CG-CD2 4.24Å; R41-F45 WeakPolarHBondContact O-CA 3.46Å; R41-F45 PolarHBondContact O-N 3.41Å; F45-D47 HydrophobicContact CE1-CB 4Å; F45-D47 HydrophobicContact CZ-CB 4.46Å; F45-L85 HydrophobicContact CD1-CD1 4.42Å; F45-R111 PolarHBondContact O-NH2 3.03Å; F45-R111 VanDerWaalsContact O-NH2 3.1Å
46	Y	93.4	Very high	87.4	Confident	1 Å²	1	49.6 Å²	49.6	0%	0.004	24%	0.242	C	C	.	.			trans	-137	148.3	168.8	64.7	-98.8	0	0	0	109.9	L37 L40 R41 L49 V67 L85 L87	L37-Y46 WeakPolarHBondContact CB-OH 3.43Å; L37-Y46 PolarHBondContact O-OH 2.68Å; L40-Y46 HydrophobicContact CB-CE1 4.13Å; R41-Y46 HydrophobicContact CB-CD1 3.95Å; R41-Y46 HydrophobicContact CB-CE1 3.46Å; R41-Y46 VanDerWaalsContact CB-CE1 3.46Å; R41-Y46 HydrophobicContact CG-CD1 4.16Å; R41-Y46 HydrophobicContact CG-CE1 4.03Å; R41-Y46 PolarHBondContact NE-O 3.45Å; Y46-L49 HydrophobicContact CD2-CD2 4.07Å; Y46-L49 HydrophobicContact CD2-CG 4.43Å; Y46-L49 HydrophobicContact CE2-CD1 4.42Å; Y46-L49 HydrophobicContact CE2-CD2 3.59Å; Y46-L49 HydrophobicContact CE2-CG 3.98Å; Y46-V67 HydrophobicContact CD2-CG1 4.08Å; Y46-V67 HydrophobicContact CE2-CG1 4.13Å; Y46-V67 HydrophobicContact CE2-CG2 4.02Å; Y46-L85 WeakPolarHBondContact CA-O 3.49Å; Y46-L85 WeakPolarHBondContact CB-O 3.3Å; Y46-L87 HydrophobicContact CD1-CB 4.26Å; Y46-L87 HydrophobicContact CD1-CD2 4.04Å; Y46-L87 HydrophobicContact CD2-CB 4.24Å; Y46-L87 HydrophobicContact CE1-CD2 3.71Å; Y46-L87 HydrophobicContact CE2-CD2 4.34Å; Y46-L87 HydrophobicContact CG-CB 4.02Å; Y46-L87 HydrophobicContact CG-CD2 4.47Å
47	D	92.3	Very high	86.9	Confident	62 Å²	62	52 Å²	52	33%	0.332	25%	0.254	S	S	.	.			trans	-121.6	-8.4	-178	64.7	3.1	0	0	0	113.7	F45 V67 A68 L85	F45-D47 HydrophobicContact CE1-CB 4Å; F45-D47 HydrophobicContact CZ-CB 4.46Å; D47-V67 WeakPolarHBondContact O-CG1 3.21Å; D47-A68 PolarHBondContact O-N 3.18Å; D47-L85 PolarHBondContact N-O 2.85Å
48	T	92.1	Very high	86.6	Confident	24 Å²	24	52 Å²	52	15%	0.147	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.3	-176.7	-50.2	0	0	0	0	109.8	A68 V70 F82 T86 L87	T48-A68 CarbonylContact C-O 3.52Å; T48-A68 WeakPolarHBondContact CA-O 3.45Å; T48-V70 HydrophobicContact CG2-CG2 4.49Å; T48-F82 HydrophobicContact CG2-CD1 4.45Å; T48-T86 HydrophobicContact CG2-CG2 4.05Å; T48-T86 WeakPolarHBondContact O-CA 3.35Å; T48-L87 PolarHBondContact O-N 3.13Å
49	L	92.2	Very high	86.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.2	171.2	-69.9	172.3	0	0	0	109.5	Y46 I62 V65 V67 A68 V69 V70 L87 L89	Y46-L49 HydrophobicContact CD2-CD2 4.07Å; Y46-L49 HydrophobicContact CD2-CG 4.43Å; Y46-L49 HydrophobicContact CE2-CD1 4.42Å; Y46-L49 HydrophobicContact CE2-CD2 3.59Å; Y46-L49 HydrophobicContact CE2-CG 3.98Å; L49-I62 HydrophobicContact CD1-CG2 4.26Å; L49-V65 HydrophobicContact CD1-CG1 4.14Å; L49-V67 HydrophobicContact CD1-CB 4.29Å; L49-V67 HydrophobicContact CD1-CG1 4.37Å; L49-V67 HydrophobicContact CG-CB 4.45Å; L49-V67 HydrophobicContact CG-CG1 4Å; L49-A68 PolarHBondContact N-O 2.78Å; L49-V69 HydrophobicContact CB-CG1 4.22Å; L49-V69 HydrophobicContact CB-CG2 4.17Å; L49-V69 HydrophobicContact CD1-CG2 4.21Å; L49-V69 CarbonylContact O-C 3.56Å; L49-V69 WeakPolarHBondContact O-CA 3.27Å; L49-V70 PolarHBondContact O-N 2.97Å; L49-L87 WeakPolarHBondContact CA-O 3.49Å; L49-L87 HydrophobicContact CD2-CB 3.99Å; L49-L87 HydrophobicContact CD2-CD2 3.85Å; L49-L87 HydrophobicContact CD2-CG 4.15Å; L49-L89 HydrophobicContact CD2-CD1 4.06Å; L49-L89 HydrophobicContact CD2-CG 4.24Å
50	L	89.4	Confident	85.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	110.4	175.7	-170.8	66.1	0	0	0	108.8	Y52 V70 V72 F82 T86 L87 I88 L89 L107	L50-Y52 HydrophobicContact CD2-CE2 3.57Å; L50-Y52 HydrophobicContact CG-CD2 4.39Å; L50-Y52 HydrophobicContact CG-CE2 3.76Å; L50-V70 HydrophobicContact CD1-CB 3.74Å; L50-V70 HydrophobicContact CD1-CG1 3.76Å; L50-V72 HydrophobicContact CD1-CG2 3.28Å; L50-V72 HydrophobicContact CG-CG2 3.88Å; L50-F82 HydrophobicContact CD1-CE1 3.85Å; L50-F82 HydrophobicContact CD1-CE2 4.07Å; L50-F82 HydrophobicContact CD1-CZ 3.46Å; L50-F82 VanDerWaalsContact CD1-CZ 3.46Å; L50-F82 HydrophobicContact CD2-CD2 4.31Å; L50-F82 HydrophobicContact CD2-CE2 3.98Å; L50-F82 HydrophobicContact CD2-CZ 4.17Å; L50-F82 HydrophobicContact CG-CZ 4.45Å; L50-T86 HydrophobicContact CB-CG2 3.77Å; L50-L87 PolarHBondContact N-O 2.86Å; L50-I88 HydrophobicContact CB-CG1 4.36Å; L50-I88 HydrophobicContact CD2-CG1 4.3Å; L50-I88 CarbonylContact O-C 3.48Å; L50-I88 WeakPolarHBondContact O-CA 3.29Å; L50-L89 PolarHBondContact O-N 2.94Å; L50-L107 HydrophobicContact CD2-CD1 3.55Å; L50-L107 HydrophobicContact CD2-CD2 4.09Å; L50-L107 HydrophobicContact CD2-CG 4.5Å
51	V	88.1	Confident	85.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.3	-173.9	-171.7	0	0	0	0	110.3	F58 I62 V69 V70 L71 V72 L89	V51-F58 HydrophobicContact CG1-CB 4.38Å; V51-I62 HydrophobicContact CG2-CG2 4.04Å; V51-V69 HydrophobicContact CG2-CG1 3.87Å; V51-V70 PolarHBondContact N-O 3.42Å; V51-L71 HydrophobicContact CB-CD2 3.86Å; V51-L71 HydrophobicContact CG1-CD2 4.48Å; V51-L71 HydrophobicContact CG2-CD2 4.15Å; V51-V72 PolarHBondContact O-N 3.41Å; V51-L89 WeakPolarHBondContact CA-O 3.35Å; V51-L89 HydrophobicContact CG2-CB 4.32Å; V51-L89 HydrophobicContact CG2-CD1 4.24Å
52	Y	84.3	Confident	85.1	Confident	26 Å²	26	48 Å²	48	10%	0.102	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.4	175.6	-75.1	-87.4	0	0	0	111.5	L50 V72 I88 L89 D96	L50-Y52 HydrophobicContact CD2-CE2 3.57Å; L50-Y52 HydrophobicContact CG-CD2 4.39Å; L50-Y52 HydrophobicContact CG-CE2 3.76Å; Y52-V72 HydrophobicContact CD1-CB 3.86Å; Y52-V72 HydrophobicContact CD1-CG1 3.96Å; Y52-V72 HydrophobicContact CD1-CG2 4.47Å; Y52-V72 HydrophobicContact CE1-CB 3.81Å; Y52-V72 HydrophobicContact CE1-CG1 3.58Å; Y52-V72 HydrophobicContact CE1-CG2 4.11Å; Y52-V72 HydrophobicContact CG-CB 4.45Å; Y52-I88 HydrophobicContact CD2-CG2 3.67Å; Y52-I88 HydrophobicContact CE2-CG2 3.74Å; Y52-L89 PolarHBondContact N-O 2.64Å; Y52-D96 WeakPolarHBondContact CB-OD1 3.15Å; Y52-D96 VanDerWaalsContact CD2-OD1 3.27Å; Y52-D96 WeakPolarHBondContact CD2-OD1 3.41Å
53	G	75.2	Confident	84.7	Confident	8 Å²	8	49.5 Å²	49.5	8%	0.082	24%	0.241	C	C	.	.			trans	115.5	138.2	173.2	0	0	0	0	0	113.9	H59	G53-H59 PolarHBondContact O-NE2 2.83Å
54	K	68.4	Low	84.3	Confident	140 Å²	140	51.4 Å²	51.4	61%	0.609	25%	0.253	S	S	*	.	S	Bend	trans	-69.8	-42.7	-179.2	-67.8	177.5	-176.4	162.6	0	112.3	H59 D74	K54-H59 PolarHBondContact O-NE2 3.44Å; K54-D74 WeakPolarHBondContact CE-OD2 3.08Å; K54-D74 IonicContact NZ-OD2 2.78Å; K54-D74 PolarHBondContact NZ-OD2 3.05Å
55	D	71.9	Confident	84	Confident	164 Å²	164	48 Å²	48	88%	0.877	24%	0.238	S	C	*	.	S	Bend	trans	-116.6	74.1	-179.1	-62.8	-38.9	0	0	0	110.4
56	C	77.4	Confident	83.7	Confident	8 Å²	8	50 Å²	50	5%	0.054	25%	0.254	C	S	.	.			trans	-112.1	133.2	-177.8	-172.5	0	0	0	0	111.6	F58 H59 C91	C56-F58 PolarHBondContact O-N 3.38Å; C56-F58 VanDerWaalsContact O-N 3.16Å; C56-F58 VanDerWaalsContact SG-CD2 3.51Å; C56-H59 PolarHBondContact N-CD2 2.97Å; C56-H59 WeakPolarHBondContact O-CB 3.4Å; C56-H59 PolarHBondContact O-CD2 2.83Å; C56-H59 PolarHBondContact O-N 2.9Å; C56-C91 WeakPolarHBondContact CA-SG 3.4Å; C56-C91 HydrophobicContact CB-CB 3.64Å; C56-C91 WeakPolarHBondContact CB-SG 3.12Å; C56-C91 WeakPolarHBondContact SG-CB 3.5Å; C56-C91 CovalentContact SG-SG 2.03Å; C56-C91 PolarHBondContact SG-SG 2.63Å
57	E	79.9	Confident	83.5	Confident	53 Å²	53	50.8 Å²	50.8	25%	0.248	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23	177.5	-62.7	-172.6	176.5	0	0	112.4	H59 S60 C91 L115	E57-H59 PolarHBondContact O-N 3.34Å; E57-H59 VanDerWaalsContact O-N 3.17Å; E57-S60 PolarHBondContact O-N 2.03Å; E57-S60 PolarHBondContact O-OG 3Å; E57-C91 PolarHBondContact N-SG 2.82Å; E57-L115 HydrophobicContact CB-CD2 3.77Å; E57-L115 HydrophobicContact CG-CD2 3.88Å; E57-L115 WeakPolarHBondContact OE2-CD2 3.43Å
58	F	83.7	Confident	83.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-19	173.5	-68.5	-62.7	0	0	0	113.4	L33 V51 C56 S60 V61 I62 L89 L113 L115	L33-F58 HydrophobicContact CD1-CD1 4.34Å; L33-F58 HydrophobicContact CD1-CE1 4.14Å; L33-F58 HydrophobicContact CD2-CE1 4Å; V51-F58 HydrophobicContact CG1-CB 4.38Å; C56-F58 PolarHBondContact O-N 3.38Å; C56-F58 VanDerWaalsContact O-N 3.16Å; C56-F58 VanDerWaalsContact SG-CD2 3.51Å; F58-S60 VanDerWaalsContact C-N 3.32Å; F58-S60 PolarHBondContact O-N 3.48Å; F58-V61 PolarHBondContact O-N 3Å; F58-I62 WeakPolarHBondContact O-CG1 3.32Å; F58-I62 WeakPolarHBondContact O-CG2 3.33Å; F58-I62 PolarHBondContact O-N 3.41Å; F58-L89 HydrophobicContact CB-CB 4.47Å; F58-L89 HydrophobicContact CB-CD1 4.1Å; F58-L89 HydrophobicContact CD1-CD1 3.99Å; F58-L89 HydrophobicContact CD2-CB 3.82Å; F58-L89 HydrophobicContact CE2-CB 4.23Å; F58-L89 HydrophobicContact CG-CB 4.1Å; F58-L89 HydrophobicContact CG-CD1 3.97Å; F58-L113 HydrophobicContact CE1-CD2 3.98Å; F58-L113 HydrophobicContact CZ-CD2 3.85Å; F58-L113 HydrophobicContact CZ-CG 4.06Å; F58-L115 HydrophobicContact CE2-CB 3.8Å; F58-L115 HydrophobicContact CZ-CB 4.2Å
59	H	84.9	Confident	83.2	Confident	46 Å²	46	52 Å²	52	21%	0.213	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-27.2	-179.9	-69.1	-53.1	0	0	0	114.2	G53 K54 C56 E57 I62	G53-H59 PolarHBondContact O-NE2 2.83Å; K54-H59 PolarHBondContact O-NE2 3.44Å; C56-H59 PolarHBondContact N-CD2 2.97Å; C56-H59 WeakPolarHBondContact O-CB 3.4Å; C56-H59 PolarHBondContact O-CD2 2.83Å; C56-H59 PolarHBondContact O-N 2.9Å; E57-H59 PolarHBondContact O-N 3.34Å; E57-H59 VanDerWaalsContact O-N 3.17Å; H59-I62 VanDerWaalsContact O-CG1 3.31Å; H59-I62 WeakPolarHBondContact O-CG1 3.09Å
60	S	82.4	Confident	82.9	Confident	39 Å²	39	54 Å²	54	27%	0.273	29%	0.287	S	S	.	.	H	α-helix	trans	-74	-41.9	171.9	45.9	0	0	0	0	111.1	D30 E57 F58	D30-S60 PolarHBondContact OD1-OG 2.91Å; E57-S60 PolarHBondContact O-N 2.03Å; E57-S60 PolarHBondContact O-OG 3Å; F58-S60 VanDerWaalsContact C-N 3.32Å; F58-S60 PolarHBondContact O-N 3.48Å
61	V	83.6	Confident	82.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66.5	-44.7	-175.4	-179.2	0	0	0	0	112.1	D30 L33 I34 L37 F58 K63 N64	D30-V61 HydrophobicContact CB-CG2 4.28Å; D30-V61 WeakPolarHBondContact OD1-CG2 3.43Å; L33-V61 HydrophobicContact CB-CG1 4.19Å; L33-V61 HydrophobicContact CB-CG2 3.93Å; L33-V61 HydrophobicContact CD1-CG2 3.93Å; I34-V61 HydrophobicContact CG1-CG1 3.66Å; L37-V61 HydrophobicContact CD1-CG1 3.64Å; F58-V61 PolarHBondContact O-N 3Å; V61-K63 PolarHBondContact O-N 3.29Å; V61-K63 VanDerWaalsContact O-N 3.1Å; V61-N64 PolarHBondContact O-N 3.15Å
62	I	84.3	Confident	82.1	Confident	19 Å²	19	59.8 Å²	59.8	10%	0.097	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-59.7	-25.4	-174.3	55.2	173.5	0	0	0	114.3	L49 V51 F58 H59 N64 V65 V69 L71 L89	L49-I62 HydrophobicContact CD1-CG2 4.26Å; V51-I62 HydrophobicContact CG2-CG2 4.04Å; F58-I62 WeakPolarHBondContact O-CG1 3.32Å; F58-I62 WeakPolarHBondContact O-CG2 3.33Å; F58-I62 PolarHBondContact O-N 3.41Å; H59-I62 VanDerWaalsContact O-CG1 3.31Å; H59-I62 WeakPolarHBondContact O-CG1 3.09Å; I62-N64 PolarHBondContact O-N 3.4Å; I62-V65 PolarHBondContact O-N 2.99Å; I62-V69 HydrophobicContact CB-CG1 4.32Å; I62-V69 HydrophobicContact CB-CG2 4.22Å; I62-V69 HydrophobicContact CD1-CG1 3.92Å; I62-V69 HydrophobicContact CG2-CG1 4.16Å; I62-V69 HydrophobicContact CG2-CG2 4.46Å; I62-L71 HydrophobicContact CD1-CD2 3.74Å; I62-L89 HydrophobicContact CG2-CD1 4.45Å
63	K	82.7	Confident	81.5	Confident	176 Å²	176	60.6 Å²	60.6	77%	0.765	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-66.2	-22.5	179.1	-65.7	-179.7	-176.8	176	0	112.8	V61	V61-K63 PolarHBondContact O-N 3.29Å; V61-K63 VanDerWaalsContact O-N 3.1Å
64	N	82.3	Confident	80.7	Confident	111 Å²	111	65.9 Å²	65.9	59%	0.594	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-100.6	4.6	-176.2	-61	-24.3	0	0	0	112.3	I34 V61 I62	I34-N64 HydrophobicContact CD1-CB 3.77Å; V61-N64 PolarHBondContact O-N 3.15Å; I62-N64 PolarHBondContact O-N 3.4Å
65	V	83.7	Confident	80.1	Confident	20 Å²	20	63.8 Å²	63.8	12%	0.121	36%	0.357	C	S	.	.	S	Bend	trans	-112.2	122.8	-176.4	-176.9	0	0	0	0	109.3	L37 L49 I62 V67	L37-V65 HydrophobicContact CD1-CG2 4.11Å; L49-V65 HydrophobicContact CD1-CG1 4.14Å; I62-V65 PolarHBondContact O-N 2.99Å; V65-V67 VanDerWaalsContact C-N 3.27Å; V65-V67 HydrophobicContact CG1-CB 4.02Å; V65-V67 HydrophobicContact CG1-CG2 3.63Å; V65-V67 PolarHBondContact O-N 3.43Å
66	D	86.3	Confident	79.4	Confident	152 Å²	152	59.6 Å²	59.6	81%	0.813	33%	0.334	S	S	*	.			trans	-81.7	71.1	179.8	-170	28.6	0	0	0	111.4	R41	R41-D66 PolarHBondContact NH1-O 3.08Å
67	V	88.6	Confident	78.6	Confident	19 Å²	19	66 Å²	66	12%	0.115	37%	0.367	C	S	.	.	S	Bend	trans	-147.5	146.7	-176.9	-178	0	0	0	0	108.9	Y46 D47 L49 V65 V69	Y46-V67 HydrophobicContact CD2-CG1 4.08Å; Y46-V67 HydrophobicContact CE2-CG1 4.13Å; Y46-V67 HydrophobicContact CE2-CG2 4.02Å; D47-V67 WeakPolarHBondContact O-CG1 3.21Å; L49-V67 HydrophobicContact CD1-CB 4.29Å; L49-V67 HydrophobicContact CD1-CG1 4.37Å; L49-V67 HydrophobicContact CG-CB 4.45Å; L49-V67 HydrophobicContact CG-CG1 4Å; V65-V67 VanDerWaalsContact C-N 3.27Å; V65-V67 HydrophobicContact CG1-CB 4.02Å; V65-V67 HydrophobicContact CG1-CG2 3.63Å; V65-V67 PolarHBondContact O-N 3.43Å; V67-V69 WeakPolarHBondContact O-CG2 3.15Å; V67-V69 PolarHBondContact O-N 3.31Å
68	A	89.3	Confident	77.9	Confident	62 Å²	62	70.1 Å²	70.1	51%	0.512	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	127.1	176.6	0	0	0	0	0	110.4	D47 T48 L49	D47-A68 PolarHBondContact O-N 3.18Å; T48-A68 CarbonylContact C-O 3.52Å; T48-A68 WeakPolarHBondContact CA-O 3.45Å; L49-A68 PolarHBondContact N-O 2.78Å
69	V	88.8	Confident	77.3	Confident	50 Å²	50	77 Å²	77	30%	0.303	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.7	-177.1	-169.4	0	0	0	0	110.9	L49 V51 I62 V67 L71	L49-V69 HydrophobicContact CB-CG1 4.22Å; L49-V69 HydrophobicContact CB-CG2 4.17Å; L49-V69 HydrophobicContact CD1-CG2 4.21Å; L49-V69 CarbonylContact O-C 3.56Å; L49-V69 WeakPolarHBondContact O-CA 3.27Å; V51-V69 HydrophobicContact CG2-CG1 3.87Å; I62-V69 HydrophobicContact CB-CG1 4.32Å; I62-V69 HydrophobicContact CB-CG2 4.22Å; I62-V69 HydrophobicContact CD1-CG1 3.92Å; I62-V69 HydrophobicContact CG2-CG1 4.16Å; I62-V69 HydrophobicContact CG2-CG2 4.46Å; V67-V69 WeakPolarHBondContact O-CG2 3.15Å; V67-V69 PolarHBondContact O-N 3.31Å; V69-L71 HydrophobicContact CG1-CD2 3.94Å
70	V	86.6	Confident	76.8	Confident	40 Å²	40	79.9 Å²	79.9	24%	0.242	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.2	174.2	-178.5	0	0	0	0	108.5	T48 L49 L50 V51 V72 F82	T48-V70 HydrophobicContact CG2-CG2 4.49Å; L49-V70 PolarHBondContact O-N 2.97Å; L50-V70 HydrophobicContact CD1-CB 3.74Å; L50-V70 HydrophobicContact CD1-CG1 3.76Å; V51-V70 PolarHBondContact N-O 3.42Å; V70-V72 HydrophobicContact CG1-CG2 4.47Å; V70-F82 HydrophobicContact CB-CE1 4.44Å; V70-F82 HydrophobicContact CG1-CZ 4.28Å; V70-F82 HydrophobicContact CG2-CE1 4.2Å
71	L	84.4	Confident	76.5	Confident	92 Å²	92	84.2 Å²	84.2	48%	0.482	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	116.6	176.8	-57.1	-177.3	0	0	0	108.9	V51 I62 V69	V51-L71 HydrophobicContact CB-CD2 3.86Å; V51-L71 HydrophobicContact CG1-CD2 4.48Å; V51-L71 HydrophobicContact CG2-CD2 4.15Å; I62-L71 HydrophobicContact CD1-CD2 3.74Å; V69-L71 HydrophobicContact CG1-CD2 3.94Å
72	V	76.6	Confident	76.5	Confident	30 Å²	30	85.5 Å²	85.5	18%	0.182	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.2	179.5	-170.9	0	0	0	0	109	L50 V51 Y52 V70	L50-V72 HydrophobicContact CD1-CG2 3.28Å; L50-V72 HydrophobicContact CG-CG2 3.88Å; V51-V72 PolarHBondContact O-N 3.41Å; Y52-V72 HydrophobicContact CD1-CB 3.86Å; Y52-V72 HydrophobicContact CD1-CG1 3.96Å; Y52-V72 HydrophobicContact CD1-CG2 4.47Å; Y52-V72 HydrophobicContact CE1-CB 3.81Å; Y52-V72 HydrophobicContact CE1-CG1 3.58Å; Y52-V72 HydrophobicContact CE1-CG2 4.11Å; Y52-V72 HydrophobicContact CG-CB 4.45Å; V70-V72 HydrophobicContact CG1-CG2 4.47Å
73	S	69.9	Low	76.5	Confident	44 Å²	44	86.9 Å²	86.9	31%	0.308	46%	0.463	S	S	.	.			trans	-105.8	153.7	168.1	78.3	0	0	0	0	110.2	S75 M76	S73-S75 PolarHBondContact O-N 2.86Å; S73-S75 PolarHBondContact OG-OG 3.11Å; S73-M76 PolarHBondContact O-N 3.4Å
74	D	60.2	Low	76.5	Confident	118 Å²	118	82 Å²	82	63%	0.631	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-9.9	-176.4	-51.6	-40.1	0	0	0	115.6	K54	K54-D74 WeakPolarHBondContact CE-OD2 3.08Å; K54-D74 IonicContact NZ-OD2 2.78Å; K54-D74 PolarHBondContact NZ-OD2 3.05Å
75	S	55	Low	76.9	Confident	96 Å²	96	79.7 Å²	79.7	67%	0.671	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	7.1	-176.2	63.3	0	0	0	0	115.4	S73 N77	S73-S75 PolarHBondContact O-N 2.86Å; S73-S75 PolarHBondContact OG-OG 3.11Å; S75-N77 PolarHBondContact O-N 3.26Å
76	M	56.6	Low	77.3	Confident	77 Å²	77	78.8 Å²	78.8	38%	0.379	43%	0.433	S	S	.	.			trans	-92.1	97.3	-176.4	-77	-175.2	141.3	0	0	113	S73 F78	S73-M76 PolarHBondContact O-N 3.4Å; M76-F78 VanDerWaalsContact C-N 3.31Å; M76-F78 PolarHBondContact O-N 2.83Å
77	N	60.8	Low	77.6	Confident	142 Å²	142	71.5 Å²	71.5	76%	0.759	39%	0.394	S	S	*	.			trans	-89	30.6	176.6	-74.6	-11.9	0	0	0	114.3	S75	S75-N77 PolarHBondContact O-N 3.26Å
78	F	65.3	Low	77.8	Confident	140 Å²	140	70.7 Å²	70.7	61%	0.614	39%	0.389	S	S	*	.			trans	-90.4	140.6	179.3	-75.7	-82.6	0	0	0	111.5	M76 W80 P100	M76-F78 VanDerWaalsContact C-N 3.31Å; M76-F78 PolarHBondContact O-N 2.83Å; F78-W80 HydrophobicContact CB-CZ2 4.22Å; F78-W80 PolarHBondContact O-N 2.91Å; F78-P100 WeakPolarHBondContact O-CG 3.45Å
79	E	70.4	Confident	77.8	Confident	144 Å²	144	67.7 Å²	67.7	67%	0.673	36%	0.364	S	S	*	.			trans	-76.7	114.8	168.1	-69.1	-163.3	140.2	0	0	109.5	P100 S102	E79-P100 HydrophobicContact CG-CB 4.08Å; E79-P100 HydrophobicContact CG-CG 3.95Å; E79-S102 VanDerWaalsContact CD-OG 3.3Å; E79-S102 PolarHBondContact OE1-OG 3.36Å
80	W	75.4	Confident	77.8	Confident	106 Å²	106	65.3 Å²	65.3	40%	0.402	35%	0.35	S	S	.	.			trans	-108.5	143.6	179.8	-66	97.5	0	0	0	110.5	F78 F82 T103	F78-W80 HydrophobicContact CB-CZ2 4.22Å; F78-W80 PolarHBondContact O-N 2.91Å; W80-F82 HydrophobicContact CB-CD2 3.74Å; W80-F82 HydrophobicContact CB-CE2 3.25Å; W80-F82 HydrophobicContact CB-CZ 3.72Å; W80-F82 HydrophobicContact CD2-CZ 4.33Å; W80-F82 AromaticContact CG-CE2 3.82Å; W80-F82 HydrophobicContact CG-CE2 3.82Å; W80-F82 AromaticContact CG-CZ 3.92Å; W80-F82 HydrophobicContact CG-CZ 3.92Å; W80-T103 HydrophobicContact CB-CG2 4.1Å; W80-T103 PolarHBondContact N-OG1 3.45Å; W80-T103 VanDerWaalsContact N-OG1 3.14Å
81	N	76.6	Confident	77.7	Confident	131 Å²	131	64.5 Å²	64.5	70%	0.701	35%	0.346	S	S	*	.			trans	-109.3	82	175.6	-157.8	31.2	0	0	0	109.5	K106	N81-K106 VanDerWaalsContact OD1-CD 3.3Å; N81-K106 WeakPolarHBondContact OD1-CD 3.47Å; N81-K106 WeakPolarHBondContact OD1-CE 3.46Å; N81-K106 PolarHBondContact OD1-NZ 2.87Å
82	F	81.9	Confident	77.3	Confident	26 Å²	26	60.7 Å²	60.7	11%	0.114	33%	0.329	C	S	.	.			trans	-78.8	142.8	176.2	-66.5	-70.5	0	0	0	111	T48 L50 V70 W80 T86 T103 L107	T48-F82 HydrophobicContact CG2-CD1 4.45Å; L50-F82 HydrophobicContact CD1-CE1 3.85Å; L50-F82 HydrophobicContact CD1-CE2 4.07Å; L50-F82 HydrophobicContact CD1-CZ 3.46Å; L50-F82 VanDerWaalsContact CD1-CZ 3.46Å; L50-F82 HydrophobicContact CD2-CD2 4.31Å; L50-F82 HydrophobicContact CD2-CE2 3.98Å; L50-F82 HydrophobicContact CD2-CZ 4.17Å; L50-F82 HydrophobicContact CG-CZ 4.45Å; V70-F82 HydrophobicContact CB-CE1 4.44Å; V70-F82 HydrophobicContact CG1-CZ 4.28Å; V70-F82 HydrophobicContact CG2-CE1 4.2Å; W80-F82 HydrophobicContact CB-CD2 3.74Å; W80-F82 HydrophobicContact CB-CE2 3.25Å; W80-F82 HydrophobicContact CB-CZ 3.72Å; W80-F82 HydrophobicContact CD2-CZ 4.33Å; W80-F82 AromaticContact CG-CE2 3.82Å; W80-F82 HydrophobicContact CG-CE2 3.82Å; W80-F82 AromaticContact CG-CZ 3.92Å; W80-F82 HydrophobicContact CG-CZ 3.92Å; F82-T86 HydrophobicContact CD1-CG2 4.22Å; F82-T103 HydrophobicContact CD2-CG2 4.07Å; F82-T103 HydrophobicContact CE2-CG2 4.11Å; F82-L107 HydrophobicContact CB-CD2 3.53Å; F82-L107 HydrophobicContact CB-CG 4.4Å; F82-L107 HydrophobicContact CD2-CD1 3.85Å; F82-L107 HydrophobicContact CD2-CD2 3.69Å; F82-L107 HydrophobicContact CD2-CG 3.95Å; F82-L107 HydrophobicContact CE2-CD1 4.23Å; F82-L107 HydrophobicContact CG-CD2 3.81Å
83	S	85.1	Confident	76.6	Confident	49 Å²	49	60.2 Å²	60.2	34%	0.343	33%	0.326	S	S	.	.			trans	-76.1	163.6	174.7	73.2	0	0	0	0	110.7	L85 T86 N110	S83-L85 PolarHBondContact O-N 2.98Å; S83-L85 VanDerWaalsContact O-N 3.13Å; S83-L85 WeakPolarHBondContact OG-CB 3.06Å; S83-L85 PolarHBondContact OG-N 3.02Å; S83-L85 VanDerWaalsContact OG-N 3.15Å; S83-T86 WeakPolarHBondContact O-CB 3.27Å; S83-T86 PolarHBondContact O-N 3.04Å; S83-T86 VanDerWaalsContact O-N 3.13Å; S83-T86 PolarHBondContact O-OG1 2.82Å; S83-N110 PolarHBondContact O-ND2 3.18Å
84	S	83.1	Confident	76.3	Confident	74 Å²	74	62.1 Å²	62.1	52%	0.517	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.6	168	58.1	0	0	0	0	113.2	T86	S84-T86 PolarHBondContact O-N 2.6Å
85	L	90	Very high	76.3	Confident	62 Å²	62	59.2 Å²	59.2	33%	0.325	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	9	176.1	-54	176.7	0	0	0	112.6	F45 Y46 D47 S83	F45-L85 HydrophobicContact CD1-CD1 4.42Å; Y46-L85 WeakPolarHBondContact CA-O 3.49Å; Y46-L85 WeakPolarHBondContact CB-O 3.3Å; D47-L85 PolarHBondContact N-O 2.85Å; S83-L85 PolarHBondContact O-N 2.98Å; S83-L85 VanDerWaalsContact O-N 3.13Å; S83-L85 WeakPolarHBondContact OG-CB 3.06Å; S83-L85 PolarHBondContact OG-N 3.02Å; S83-L85 VanDerWaalsContact OG-N 3.15Å
86	T	92.1	Very high	76.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	129	174.8	-54.6	0	0	0	0	110.5	T48 L50 F82 S83 S84 N110	T48-T86 HydrophobicContact CG2-CG2 4.05Å; T48-T86 WeakPolarHBondContact O-CA 3.35Å; L50-T86 HydrophobicContact CB-CG2 3.77Å; F82-T86 HydrophobicContact CD1-CG2 4.22Å; S83-T86 WeakPolarHBondContact O-CB 3.27Å; S83-T86 PolarHBondContact O-N 3.04Å; S83-T86 VanDerWaalsContact O-N 3.13Å; S83-T86 PolarHBondContact O-OG1 2.82Å; S84-T86 PolarHBondContact O-N 2.6Å; T86-N110 VanDerWaalsContact CB-ND2 3.34Å; T86-N110 WeakPolarHBondContact CB-ND2 3.35Å; T86-N110 PolarHBondContact N-ND2 3.36Å; T86-N110 WeakPolarHBondContact O-CB 3.47Å; T86-N110 PolarHBondContact O-ND2 2.78Å
87	L	93.2	Very high	76.7	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.2	170.1	174.1	70.2	0	0	0	109.1	L37 L40 Y46 T48 L49 L50 L89 R111	L37-L87 HydrophobicContact CD2-CD2 3.81Å; L40-L87 HydrophobicContact CD1-CD2 4.17Å; Y46-L87 HydrophobicContact CD1-CB 4.26Å; Y46-L87 HydrophobicContact CD1-CD2 4.04Å; Y46-L87 HydrophobicContact CD2-CB 4.24Å; Y46-L87 HydrophobicContact CE1-CD2 3.71Å; Y46-L87 HydrophobicContact CE2-CD2 4.34Å; Y46-L87 HydrophobicContact CG-CB 4.02Å; Y46-L87 HydrophobicContact CG-CD2 4.47Å; T48-L87 PolarHBondContact O-N 3.13Å; L49-L87 WeakPolarHBondContact CA-O 3.49Å; L49-L87 HydrophobicContact CD2-CB 3.99Å; L49-L87 HydrophobicContact CD2-CD2 3.85Å; L49-L87 HydrophobicContact CD2-CG 4.15Å; L50-L87 PolarHBondContact N-O 2.86Å; L87-L89 HydrophobicContact CD2-CD2 4.04Å; L87-L89 HydrophobicContact CG-CD2 4.04Å; L87-R111 HydrophobicContact CD1-CB 3.67Å
88	I	91.6	Very high	76.3	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.7	-178.2	-56.9	173.4	0	0	0	108.7	L50 Y52 L107 N110 R111 R112 L113	L50-I88 HydrophobicContact CB-CG1 4.36Å; L50-I88 HydrophobicContact CD2-CG1 4.3Å; L50-I88 CarbonylContact O-C 3.48Å; L50-I88 WeakPolarHBondContact O-CA 3.29Å; Y52-I88 HydrophobicContact CD2-CG2 3.67Å; Y52-I88 HydrophobicContact CE2-CG2 3.74Å; I88-L107 HydrophobicContact CD1-CB 4.2Å; I88-L107 HydrophobicContact CD1-CD2 4.18Å; I88-N110 HydrophobicContact CD1-CB 3.8Å; I88-N110 HydrophobicContact CG1-CB 4.15Å; I88-R111 PolarHBondContact N-O 2.66Å; I88-R112 HydrophobicContact CB-CG 3.79Å; I88-R112 HydrophobicContact CD1-CG 3.98Å; I88-R112 HydrophobicContact CG1-CG 4.41Å; I88-R112 HydrophobicContact CG2-CG 4.09Å; I88-R112 CarbonylContact O-C 3.51Å; I88-R112 WeakPolarHBondContact O-CA 3.46Å; I88-L113 PolarHBondContact O-N 2.92Å
89	L	90.9	Very high	75.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.2	176	-53.5	-175.2	0	0	0	108.9	L37 L49 L50 V51 Y52 F58 I62 L87 L113	L37-L89 HydrophobicContact CD2-CD1 4.34Å; L37-L89 HydrophobicContact CD2-CD2 4Å; L49-L89 HydrophobicContact CD2-CD1 4.06Å; L49-L89 HydrophobicContact CD2-CG 4.24Å; L50-L89 PolarHBondContact O-N 2.94Å; V51-L89 WeakPolarHBondContact CA-O 3.35Å; V51-L89 HydrophobicContact CG2-CB 4.32Å; V51-L89 HydrophobicContact CG2-CD1 4.24Å; Y52-L89 PolarHBondContact N-O 2.64Å; F58-L89 HydrophobicContact CB-CB 4.47Å; F58-L89 HydrophobicContact CB-CD1 4.1Å; F58-L89 HydrophobicContact CD1-CD1 3.99Å; F58-L89 HydrophobicContact CD2-CB 3.82Å; F58-L89 HydrophobicContact CE2-CB 4.23Å; F58-L89 HydrophobicContact CG-CB 4.1Å; F58-L89 HydrophobicContact CG-CD1 3.97Å; I62-L89 HydrophobicContact CG2-CD1 4.45Å; L87-L89 HydrophobicContact CD2-CD2 4.04Å; L87-L89 HydrophobicContact CG-CD2 4.04Å; L89-L113 WeakPolarHBondContact CA-O 3.36Å; L89-L113 HydrophobicContact CD2-CB 3.71Å; L89-L113 HydrophobicContact CD2-CD2 3.99Å; L89-L113 HydrophobicContact CD2-CG 4.38Å
90	S	88.6	Confident	75.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	142.3	178.4	63.4	0	0	0	0	112.2	D96 L113 V114 L115	S90-D96 WeakPolarHBondContact CB-OD1 3.19Å; S90-L113 PolarHBondContact N-O 3.23Å; S90-V114 CarbonylContact O-C 3.6Å; S90-V114 VanDerWaalsContact O-CA 3.32Å; S90-V114 WeakPolarHBondContact O-CA 3.36Å; S90-L115 PolarHBondContact O-N 2.98Å
91	C	83.7	Confident	75.1	Confident	23 Å²	23	42.9 Å²	42.9	16%	0.155	26%	0.264	C	S	.	.	S	Bend	trans	-104.5	57.4	177.8	-72.3	0	0	0	0	111.5	C56 E57 I95	C56-C91 WeakPolarHBondContact CA-SG 3.4Å; C56-C91 HydrophobicContact CB-CB 3.64Å; C56-C91 WeakPolarHBondContact CB-SG 3.12Å; C56-C91 WeakPolarHBondContact SG-CB 3.5Å; C56-C91 CovalentContact SG-SG 2.03Å; C56-C91 PolarHBondContact SG-SG 2.63Å; E57-C91 PolarHBondContact N-SG 2.82Å; C91-I95 WeakPolarHBondContact O-CD1 3.3Å
92	G	75.4	Confident	74.7	Confident	12 Å²	12	37.2 Å²	37.2	12%	0.124	24%	0.235	C	C	.	.	S	Bend	trans	150.8	158.1	177.4	0	0	0	0	0	112.6	D94 L115	G92-D94 VanDerWaalsContact C-N 3.34Å; G92-D94 PolarHBondContact O-N 3.06Å; G92-L115 PolarHBondContact N-O 3.4Å
93	P	62.2	Low	74.5	Confident	19 Å²	19	36.3 Å²	36.3	12%	0.123	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-11.4	-171	29.6	-35.1	0	0	0	115.6	I125 K132	P93-I125 HydrophobicContact CB-CD1 3.63Å; P93-I125 HydrophobicContact CB-CG2 4.25Å; P93-I125 HydrophobicContact CG-CD1 3.93Å; P93-K132 PolarHBondContact O-NZ 3.31Å
94	D	64.3	Low	74.1	Confident	85 Å²	85	35.6 Å²	35.6	46%	0.455	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132	15.1	-173	-79	-39.2	0	0	0	114.9	G92 N97 K132	G92-D94 VanDerWaalsContact C-N 3.34Å; G92-D94 PolarHBondContact O-N 3.06Å; D94-N97 PolarHBondContact O-ND2 2.87Å; D94-K132 IonicContact OD1-NZ 2.7Å; D94-K132 PolarHBondContact OD1-NZ 3.05Å
95	I	61	Low	73.7	Confident	57 Å²	57	33.5 Å²	33.5	29%	0.292	21%	0.209	S	C	.	.			trans	-83.8	-19.6	179.3	-51.8	-178.6	0	0	0	111.4	C91 N97	C91-I95 WeakPolarHBondContact O-CD1 3.3Å; I95-N97 PolarHBondContact O-N 2.73Å
96	D	60.8	Low	73.2	Confident	17 Å²	17	34.4 Å²	34.4	9%	0.091	21%	0.211	C	C	.	.			trans	-78.3	35.6	177.3	-63.8	-0	0	0	0	112.1	Y52 S90 G98	Y52-D96 WeakPolarHBondContact CB-OD1 3.15Å; Y52-D96 VanDerWaalsContact CD2-OD1 3.27Å; Y52-D96 WeakPolarHBondContact CD2-OD1 3.41Å; S90-D96 WeakPolarHBondContact CB-OD1 3.19Å; D96-G98 PolarHBondContact O-N 2.77Å
97	N	57.4	Low	72.8	Confident	122 Å²	122	34.7 Å²	34.7	65%	0.652	21%	0.212	S	C	*	.			trans	-75.6	79.8	175.9	-79	-17.5	0	0	0	109.9	D94 I95	D94-N97 PolarHBondContact O-ND2 2.87Å; I95-N97 PolarHBondContact O-N 2.73Å
98	G	53.4	Low	72.3	Confident	50 Å²	50	35.5 Å²	35.5	52%	0.515	22%	0.216	S	C	.	.			trans	37.2	97.1	143.8	0	0	0	0	0	116.3	D96	D96-G98 PolarHBondContact O-N 2.77Å
99	G	57.9	Low	71.9	Confident	35 Å²	35	40 Å²	40	36%	0.361	23%	0.233	S	C	.	.	S	Bend	trans	-57.4	-167.9	150.4	0	0	0	0	0	111.5	N101	G99-N101 PolarHBondContact O-N 3.29Å
100	P	61.5	Low	71.8	Confident	36 Å²	36	40.2 Å²	40.2	23%	0.234	23%	0.234	C	C	.	.	S	Bend	trans	-48.8	143.4	-177.7	-2.8	-2.6	0	0	0	112.7	F78 E79 S102 T103 S104	F78-P100 WeakPolarHBondContact O-CG 3.45Å; E79-P100 HydrophobicContact CG-CB 4.08Å; E79-P100 HydrophobicContact CG-CG 3.95Å; P100-S102 PolarHBondContact O-N 2.93Å; P100-T103 WeakPolarHBondContact O-CB 3.37Å; P100-T103 PolarHBondContact O-N 3.07Å; P100-S104 PolarHBondContact O-N 3.39Å
101	N	66.8	Low	72	Confident	101 Å²	101	40.7 Å²	40.7	54%	0.54	24%	0.236	S	C	.	.	H	α-helix	trans	-48.7	-38.2	-172.8	-124.1	11.9	0	0	0	112.8	G99 T103 S104 I105	G99-N101 PolarHBondContact O-N 3.29Å; N101-T103 PolarHBondContact O-N 3.05Å; N101-S104 PolarHBondContact O-N 2.85Å; N101-S104 PolarHBondContact O-OG 3.47Å; N101-I105 WeakPolarHBondContact O-CG1 3.38Å; N101-I105 PolarHBondContact O-N 3.23Å; N101-I105 VanDerWaalsContact O-N 3.1Å
102	S	68.9	Low	72.4	Confident	12 Å²	12	39.9 Å²	39.9	8%	0.084	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-41.9	177.1	54.7	0	0	0	0	113.5	E79 P100 K106 E267	E79-S102 VanDerWaalsContact CD-OG 3.3Å; E79-S102 PolarHBondContact OE1-OG 3.36Å; P100-S102 PolarHBondContact O-N 2.93Å; S102-K106 WeakPolarHBondContact O-CG 3.43Å; S102-K106 PolarHBondContact O-N 2.8Å; S102-E267 WeakPolarHBondContact CB-OE1 3.34Å
103	T	76.1	Confident	73.2	Confident	7 Å²	7	39.3 Å²	39.3	4%	0.043	22%	0.224	C	C	.	.	H	α-helix	trans	-68.2	-39.6	175.9	-52.3	0	0	0	0	111	W80 F82 P100 N101 I105 K106 L107	W80-T103 HydrophobicContact CB-CG2 4.1Å; W80-T103 PolarHBondContact N-OG1 3.45Å; W80-T103 VanDerWaalsContact N-OG1 3.14Å; F82-T103 HydrophobicContact CD2-CG2 4.07Å; F82-T103 HydrophobicContact CE2-CG2 4.11Å; P100-T103 WeakPolarHBondContact O-CB 3.37Å; P100-T103 PolarHBondContact O-N 3.07Å; N101-T103 PolarHBondContact O-N 3.05Å; T103-I105 PolarHBondContact O-N 2.96Å; T103-K106 PolarHBondContact O-N 3.01Å; T103-L107 HydrophobicContact CG2-CD1 3.91Å; T103-L107 HydrophobicContact CG2-CG 4.42Å; T103-L107 WeakPolarHBondContact O-CG 3.09Å; T103-L107 PolarHBondContact O-N 3.05Å
104	S	76.3	Confident	74.6	Confident	34 Å²	34	38.4 Å²	38.4	24%	0.238	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-39.7	-179.1	75.7	0	0	0	0	112.8	P100 N101 K106 L107 Q108	P100-S104 PolarHBondContact O-N 3.39Å; N101-S104 PolarHBondContact O-N 2.85Å; N101-S104 PolarHBondContact O-OG 3.47Å; S104-K106 VanDerWaalsContact C-N 3.34Å; S104-K106 PolarHBondContact O-N 2.83Å; S104-L107 PolarHBondContact O-N 3.16Å; S104-Q108 PolarHBondContact O-N 3.05Å; S104-Q108 VanDerWaalsContact O-N 3.08Å
105	I	75.4	Confident	75.8	Confident	30 Å²	30	34.7 Å²	34.7	15%	0.154	20%	0.198	C	C	.	.	H	α-helix	trans	-58.8	-46.7	174.6	-69.7	163	0	0	0	110.2	N101 T103 L107 Q108 R496 H497	N101-I105 WeakPolarHBondContact O-CG1 3.38Å; N101-I105 PolarHBondContact O-N 3.23Å; N101-I105 VanDerWaalsContact O-N 3.1Å; T103-I105 PolarHBondContact O-N 2.96Å; I105-L107 PolarHBondContact O-N 3.35Å; I105-Q108 WeakPolarHBondContact O-CB 3.38Å; I105-Q108 PolarHBondContact O-N 3.33Å; I105-R496 HydrophobicContact CD1-CB 4.22Å; I105-R496 WeakPolarHBondContact CG2-O 3.42Å; I105-H497 WeakPolarHBondContact CG1-NE2 3.27Å
106	K	79.4	Confident	76.9	Confident	82 Å²	82	32 Å²	32	36%	0.357	18%	0.184	S	C	.	.	H	α-helix	trans	-67.2	-38.5	-177.6	-67.4	172	-177	-178.3	0	112.6	N81 S102 T103 S104 Q108 N110	N81-K106 VanDerWaalsContact OD1-CD 3.3Å; N81-K106 WeakPolarHBondContact OD1-CD 3.47Å; N81-K106 WeakPolarHBondContact OD1-CE 3.46Å; N81-K106 PolarHBondContact OD1-NZ 2.87Å; S102-K106 WeakPolarHBondContact O-CG 3.43Å; S102-K106 PolarHBondContact O-N 2.8Å; T103-K106 PolarHBondContact O-N 3.01Å; S104-K106 VanDerWaalsContact C-N 3.34Å; S104-K106 PolarHBondContact O-N 2.83Å; K106-Q108 VanDerWaalsContact C-N 3.3Å; K106-Q108 PolarHBondContact O-N 2.85Å; K106-N110 PolarHBondContact O-OD1 3.34Å
107	L	83.7	Confident	77.8	Confident	5 Å²	5	37.2 Å²	37.2	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-79.2	-8.8	179.2	-72.1	177	0	0	0	113.6	L50 F82 I88 T103 S104 I105 R109 N110 R112	L50-L107 HydrophobicContact CD2-CD1 3.55Å; L50-L107 HydrophobicContact CD2-CD2 4.09Å; L50-L107 HydrophobicContact CD2-CG 4.5Å; F82-L107 HydrophobicContact CB-CD2 3.53Å; F82-L107 HydrophobicContact CB-CG 4.4Å; F82-L107 HydrophobicContact CD2-CD1 3.85Å; F82-L107 HydrophobicContact CD2-CD2 3.69Å; F82-L107 HydrophobicContact CD2-CG 3.95Å; F82-L107 HydrophobicContact CE2-CD1 4.23Å; F82-L107 HydrophobicContact CG-CD2 3.81Å; I88-L107 HydrophobicContact CD1-CB 4.2Å; I88-L107 HydrophobicContact CD1-CD2 4.18Å; T103-L107 HydrophobicContact CG2-CD1 3.91Å; T103-L107 HydrophobicContact CG2-CG 4.42Å; T103-L107 WeakPolarHBondContact O-CG 3.09Å; T103-L107 PolarHBondContact O-N 3.05Å; S104-L107 PolarHBondContact O-N 3.16Å; I105-L107 PolarHBondContact O-N 3.35Å; L107-R109 VanDerWaalsContact C-N 3.27Å; L107-R109 PolarHBondContact O-N 2.84Å; L107-N110 WeakPolarHBondContact CA-OD1 3.44Å; L107-N110 HydrophobicContact CD2-CB 4.47Å; L107-N110 WeakPolarHBondContact O-CB 3.27Å; L107-N110 PolarHBondContact O-N 2.9Å; L107-N110 VanDerWaalsContact O-N 3.08Å; L107-R112 PolarHBondContact O-NH1 2.83Å; L107-R112 PolarHBondContact O-NH2 3.35Å
108	Q	82.2	Confident	78.3	Confident	17 Å²	17	37.3 Å²	37.3	8%	0.079	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-42.1	-173	-170.4	178.5	6.4	0	0	112.3	S104 I105 K106 R112 E133 Q134 H497	S104-Q108 PolarHBondContact O-N 3.05Å; S104-Q108 VanDerWaalsContact O-N 3.08Å; I105-Q108 WeakPolarHBondContact O-CB 3.38Å; I105-Q108 PolarHBondContact O-N 3.33Å; K106-Q108 VanDerWaalsContact C-N 3.3Å; K106-Q108 PolarHBondContact O-N 2.85Å; Q108-R112 PolarHBondContact O-NH1 3.29Å; Q108-E133 PolarHBondContact NE2-O 3.43Å; Q108-Q134 HydrophobicContact CG-CG 4.49Å; Q108-H497 PolarHBondContact OE1-CD2 2.85Å
109	R	83.6	Confident	79.2	Confident	96 Å²	96	42.3 Å²	42.3	36%	0.362	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-22.3	-179.4	-176.2	177.1	172	-146.6	-4.6	113.7	L107 N136 H502	L107-R109 VanDerWaalsContact C-N 3.27Å; L107-R109 PolarHBondContact O-N 2.84Å; R109-N136 PolarHBondContact O-ND2 3.34Å; R109-H502 PolarHBondContact NE-CE1 3.04Å; R109-H502 VanDerWaalsContact NE-CE1 3.35Å; R109-H502 PolarHBondContact NE-ND1 2.99Å; R109-H502 PolarHBondContact NE-NE2 2.91Å; R109-H502 VanDerWaalsContact NH1-CB 3.31Å; R109-H502 PolarHBondContact NH2-CD2 3.36Å; R109-H502 PolarHBondContact NH2-NE2 3.45Å
110	N	89.6	Confident	80.2	Confident	5 Å²	5	45 Å²	45	3%	0.027	22%	0.219	C	C	.	.	S	Bend	trans	-60.5	146.4	-172	-69.7	66.1	0	0	0	112.1	S83 T86 I88 K106 L107 R112	S83-N110 PolarHBondContact O-ND2 3.18Å; T86-N110 VanDerWaalsContact CB-ND2 3.34Å; T86-N110 WeakPolarHBondContact CB-ND2 3.35Å; T86-N110 PolarHBondContact N-ND2 3.36Å; T86-N110 WeakPolarHBondContact O-CB 3.47Å; T86-N110 PolarHBondContact O-ND2 2.78Å; I88-N110 HydrophobicContact CD1-CB 3.8Å; I88-N110 HydrophobicContact CG1-CB 4.15Å; K106-N110 PolarHBondContact O-OD1 3.34Å; L107-N110 WeakPolarHBondContact CA-OD1 3.44Å; L107-N110 HydrophobicContact CD2-CB 4.47Å; L107-N110 WeakPolarHBondContact O-CB 3.27Å; L107-N110 PolarHBondContact O-N 2.9Å; L107-N110 VanDerWaalsContact O-N 3.08Å; N110-R112 PolarHBondContact O-NH1 3.23Å
111	R	92.8	Very high	81.3	Confident	9 Å²	9	49.1 Å²	49.1	3%	0.034	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	136.1	177.9	-67.5	175.2	-71.9	162.3	-4.8	109.1	L40 E44 F45 L87 I88 N136 F173	L40-R111 PolarHBondContact O-NH1 3.38Å; E44-R111 VanDerWaalsContact O-CZ 3.24Å; E44-R111 PolarHBondContact O-NH1 3.45Å; E44-R111 PolarHBondContact O-NH2 2.79Å; E44-R111 WeakPolarHBondContact OE2-CD 3.38Å; E44-R111 IonicContact OE2-CZ 3.14Å; E44-R111 IonicContact OE2-NE 3.84Å; E44-R111 PolarHBondContact OE2-NE 3.08Å; E44-R111 IonicContact OE2-NH1 2.67Å; F45-R111 PolarHBondContact O-NH2 3.03Å; F45-R111 VanDerWaalsContact O-NH2 3.1Å; L87-R111 HydrophobicContact CD1-CB 3.67Å; I88-R111 PolarHBondContact N-O 2.66Å; R111-N136 HydrophobicContact CG-CB 4.42Å; R111-F173 HydrophobicContact CB-CD1 4.27Å; R111-F173 HydrophobicContact CB-CD2 4.22Å; R111-F173 HydrophobicContact CB-CE1 4Å; R111-F173 HydrophobicContact CB-CE2 3.92Å; R111-F173 HydrophobicContact CB-CG 4.38Å; R111-F173 HydrophobicContact CB-CZ 3.81Å; R111-F173 HydrophobicContact CG-CB 4.41Å; R111-F173 HydrophobicContact CG-CD1 4Å; R111-F173 HydrophobicContact CG-CD2 3.98Å; R111-F173 HydrophobicContact CG-CE1 4.25Å; R111-F173 HydrophobicContact CG-CE2 4.21Å; R111-F173 HydrophobicContact CG-CG 3.86Å; R111-F173 HydrophobicContact CG-CZ 4.35Å
112	R	92.2	Very high	82.2	Confident	6 Å²	6	44.8 Å²	44.8	2%	0.023	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.8	179	-71.9	167.1	-178.6	80.9	-2.8	110.2	I88 L107 Q108 N110 N136 I137 A138 F173	I88-R112 HydrophobicContact CB-CG 3.79Å; I88-R112 HydrophobicContact CD1-CG 3.98Å; I88-R112 HydrophobicContact CG1-CG 4.41Å; I88-R112 HydrophobicContact CG2-CG 4.09Å; I88-R112 CarbonylContact O-C 3.51Å; I88-R112 WeakPolarHBondContact O-CA 3.46Å; L107-R112 PolarHBondContact O-NH1 2.83Å; L107-R112 PolarHBondContact O-NH2 3.35Å; Q108-R112 PolarHBondContact O-NH1 3.29Å; N110-R112 PolarHBondContact O-NH1 3.23Å; R112-N136 PolarHBondContact N-O 3.13Å; R112-I137 HydrophobicContact CB-CD1 3.73Å; R112-I137 VanDerWaalsContact CD-CD1 3.43Å; R112-I137 HydrophobicContact CG-CD1 4.13Å; R112-A138 PolarHBondContact O-N 2.99Å; R112-F173 WeakPolarHBondContact O-CZ 3.22Å
113	L	92.5	Very high	83.1	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	115	169.6	-175.1	66.7	0	0	0	108.6	L36 L37 L40 F58 I88 L89 S90 A138 V140	L36-L113 HydrophobicContact CD2-CD1 4.1Å; L36-L113 HydrophobicContact CD2-CD2 3.89Å; L36-L113 HydrophobicContact CG-CD2 4.37Å; L37-L113 HydrophobicContact CD2-CD2 4.25Å; L40-L113 HydrophobicContact CD1-CD2 4.19Å; F58-L113 HydrophobicContact CE1-CD2 3.98Å; F58-L113 HydrophobicContact CZ-CD2 3.85Å; F58-L113 HydrophobicContact CZ-CG 4.06Å; I88-L113 PolarHBondContact O-N 2.92Å; L89-L113 WeakPolarHBondContact CA-O 3.36Å; L89-L113 HydrophobicContact CD2-CB 3.71Å; L89-L113 HydrophobicContact CD2-CD2 3.99Å; L89-L113 HydrophobicContact CD2-CG 4.38Å; S90-L113 PolarHBondContact N-O 3.23Å; L113-A138 CarbonylContact C-O 3.55Å; L113-A138 WeakPolarHBondContact CA-O 3.35Å; L113-A138 HydrophobicContact CD1-CB 3.87Å; L113-V140 HydrophobicContact CD1-CG2 3.74Å
114	V	90.8	Very high	83.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.1	-175.9	-168.3	0	0	0	0	109.4	S90 L116 Y129 I137 A138 L139 V140	S90-V114 CarbonylContact O-C 3.6Å; S90-V114 VanDerWaalsContact O-CA 3.32Å; S90-V114 WeakPolarHBondContact O-CA 3.36Å; V114-L116 HydrophobicContact CG1-CD2 4.07Å; V114-Y129 HydrophobicContact CG2-CE2 3.89Å; V114-Y129 WeakPolarHBondContact CG2-OH 3.37Å; V114-I137 HydrophobicContact CG2-CG2 4.14Å; V114-A138 PolarHBondContact N-O 2.9Å; V114-L139 HydrophobicContact CB-CD2 3.69Å; V114-L139 HydrophobicContact CG1-CD2 4.44Å; V114-L139 HydrophobicContact CG2-CD2 3.94Å; V114-L139 WeakPolarHBondContact O-CA 3.5Å; V114-V140 PolarHBondContact O-N 2.81Å
115	L	88.6	Confident	84.3	Confident	7 Å²	7	48.3 Å²	48.3	4%	0.037	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.2	170	-172.2	72.2	0	0	0	109.7	E57 F58 S90 G92 V140	E57-L115 HydrophobicContact CB-CD2 3.77Å; E57-L115 HydrophobicContact CG-CD2 3.88Å; E57-L115 WeakPolarHBondContact OE2-CD2 3.43Å; F58-L115 HydrophobicContact CE2-CB 3.8Å; F58-L115 HydrophobicContact CZ-CB 4.2Å; S90-L115 PolarHBondContact O-N 2.98Å; G92-L115 PolarHBondContact N-O 3.4Å; L115-V140 CarbonylContact C-O 3.37Å; L115-V140 WeakPolarHBondContact CA-O 3.24Å; L115-V140 HydrophobicContact CD1-CB 4.26Å; L115-V140 HydrophobicContact CD1-CG1 4.09Å
116	L	84.7	Confident	85	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	133.2	-177.3	-63	-178.3	0	0	0	111.5	V114 I125 L139 V140 R141 E142	V114-L116 HydrophobicContact CG1-CD2 4.07Å; L116-I125 HydrophobicContact CD1-CG1 4.21Å; L116-I125 HydrophobicContact CD2-CD1 4.49Å; L116-I125 HydrophobicContact CD2-CG1 3.85Å; L116-I125 HydrophobicContact CD2-CG2 4.29Å; L116-L139 HydrophobicContact CD1-CB 3.82Å; L116-L139 HydrophobicContact CD1-CD1 4.09Å; L116-L139 HydrophobicContact CD1-CD2 4.3Å; L116-L139 HydrophobicContact CD1-CG 4.29Å; L116-L139 HydrophobicContact CG-CB 4.32Å; L116-L139 HydrophobicContact CG-CD2 4.48Å; L116-V140 PolarHBondContact N-O 2.98Å; L116-R141 WeakPolarHBondContact O-CA 3.35Å; L116-E142 PolarHBondContact O-N 2.98Å
117	K	79.7	Confident	85.4	Confident	126 Å²	126	46.4 Å²	46.4	55%	0.548	23%	0.225	S	C	.	.			trans	-71.4	151.6	165.8	-50.1	-157.8	169.1	-179.4	0	110.3	D119 F120 E142	K117-D119 PolarHBondContact O-N 3.2Å; K117-F120 HydrophobicContact CB-CD2 4.45Å; K117-F120 PolarHBondContact O-N 3.45Å; K117-E142 VanDerWaalsContact CG-OE1 3.3Å; K117-E142 WeakPolarHBondContact CG-OE1 3.32Å
118	E	68.5	Low	85.6	Confident	124 Å²	124	48.4 Å²	48.4	58%	0.579	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.2	-169.4	-66.1	-161.8	146.7	0	0	115.2	F120	E118-F120 VanDerWaalsContact C-N 3.32Å; E118-F120 PolarHBondContact O-N 3.01Å
119	D	72.4	Confident	85.9	Confident	154 Å²	154	47.6 Å²	47.6	82%	0.824	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-13.6	-176.4	-60.9	-36.2	0	0	0	114.9	K117	K117-D119 PolarHBondContact O-N 3.2Å
120	F	78.6	Confident	86.2	Confident	93 Å²	93	44.6 Å²	44.6	41%	0.408	22%	0.223	S	C	.	.			trans	-101	128.7	-172.5	-67.1	-79.7	0	0	0	113.8	K117 E118 I125	K117-F120 HydrophobicContact CB-CD2 4.45Å; K117-F120 PolarHBondContact O-N 3.45Å; E118-F120 VanDerWaalsContact C-N 3.32Å; E118-F120 PolarHBondContact O-N 3.01Å; F120-I125 HydrophobicContact CB-CD1 4.21Å; F120-I125 HydrophobicContact CB-CG1 4.31Å; F120-I125 HydrophobicContact CD1-CD1 4.06Å; F120-I125 HydrophobicContact CG-CD1 4.34Å
121	Q	84.6	Confident	86.1	Confident	121 Å²	121	52 Å²	52	57%	0.565	26%	0.258	S	S	*	.			trans	-76.1	129.4	170.5	-69.9	-169.7	-18.1	0	0	111.2	S123 N124 I125	Q121-S123 VanDerWaalsContact C-N 3.27Å; Q121-S123 PolarHBondContact O-N 3.48Å; Q121-N124 PolarHBondContact O-N 3.24Å; Q121-N124 VanDerWaalsContact O-N 3.14Å; Q121-I125 PolarHBondContact O-N 3.28Å
122	P	86.1	Confident	85.7	Confident	11 Å²	11	54.7 Å²	54.7	7%	0.071	27%	0.27	C	S	.	.	H	α-helix	trans	-55	-36.6	179.9	-29.6	36	0	0	0	114.7	N124 I125 C126 L139 Y151 V161	P122-N124 PolarHBondContact O-N 3.45Å; P122-I125 PolarHBondContact O-N 2.87Å; P122-C126 PolarHBondContact O-N 3.16Å; P122-C126 PolarHBondContact O-SG 2.85Å; P122-C126 VanDerWaalsContact O-SG 3.36Å; P122-L139 HydrophobicContact CB-CD1 3.84Å; P122-Y151 HydrophobicContact CB-CD1 4.39Å; P122-Y151 HydrophobicContact CB-CG 4.15Å; P122-Y151 HydrophobicContact CG-CD1 4.08Å; P122-Y151 HydrophobicContact CG-CD2 4.12Å; P122-Y151 HydrophobicContact CG-CE1 4.45Å; P122-Y151 HydrophobicContact CG-CG 3.89Å; P122-V161 HydrophobicContact CB-CG1 4.16Å; P122-V161 HydrophobicContact CB-CG2 4.48Å
123	S	87.2	Confident	85.4	Confident	39 Å²	39	57.1 Å²	57.1	27%	0.273	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-41.7	178.5	49.5	0	0	0	0	112.8	Q121 I125 C126 N127	Q121-S123 VanDerWaalsContact C-N 3.27Å; Q121-S123 PolarHBondContact O-N 3.48Å; S123-I125 VanDerWaalsContact C-N 3.3Å; S123-I125 PolarHBondContact O-N 2.8Å; S123-C126 PolarHBondContact O-N 3.1Å; S123-N127 VanDerWaalsContact O-CG 3.31Å; S123-N127 PolarHBondContact O-N 2.7Å; S123-N127 PolarHBondContact O-ND2 2.68Å
124	N	88.8	Confident	85.2	Confident	86 Å²	86	58.3 Å²	58.3	46%	0.46	29%	0.287	S	S	.	.	H	α-helix	trans	-64.2	-38.9	177.3	-69	-10.1	0	0	0	111.1	Q121 P122 N127 I128	Q121-N124 PolarHBondContact O-N 3.24Å; Q121-N124 VanDerWaalsContact O-N 3.14Å; P122-N124 PolarHBondContact O-N 3.45Å; N124-N127 WeakPolarHBondContact O-CB 3.46Å; N124-N127 PolarHBondContact O-N 3.5Å; N124-I128 WeakPolarHBondContact O-CG1 3.48Å; N124-I128 PolarHBondContact O-N 2.84Å
125	I	88.2	Confident	85.2	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-67.8	-44	177.3	-56	-46.9	0	0	0	111	P93 L116 F120 Q121 P122 S123 N127 I128 Y129 L139	P93-I125 HydrophobicContact CB-CD1 3.63Å; P93-I125 HydrophobicContact CB-CG2 4.25Å; P93-I125 HydrophobicContact CG-CD1 3.93Å; L116-I125 HydrophobicContact CD1-CG1 4.21Å; L116-I125 HydrophobicContact CD2-CD1 4.49Å; L116-I125 HydrophobicContact CD2-CG1 3.85Å; L116-I125 HydrophobicContact CD2-CG2 4.29Å; F120-I125 HydrophobicContact CB-CD1 4.21Å; F120-I125 HydrophobicContact CB-CG1 4.31Å; F120-I125 HydrophobicContact CD1-CD1 4.06Å; F120-I125 HydrophobicContact CG-CD1 4.34Å; Q121-I125 PolarHBondContact O-N 3.28Å; P122-I125 PolarHBondContact O-N 2.87Å; S123-I125 VanDerWaalsContact C-N 3.3Å; S123-I125 PolarHBondContact O-N 2.8Å; I125-N127 PolarHBondContact O-N 3.17Å; I125-I128 HydrophobicContact CD1-CD1 4.05Å; I125-I128 PolarHBondContact O-N 3.12Å; I125-I128 VanDerWaalsContact O-N 3.13Å; I125-Y129 HydrophobicContact CG2-CD2 3.6Å; I125-Y129 HydrophobicContact CG2-CE2 3.49Å; I125-Y129 VanDerWaalsContact CG2-CE2 3.49Å; I125-Y129 VanDerWaalsContact O-CD2 3.3Å; I125-Y129 WeakPolarHBondContact O-CD2 3.46Å; I125-Y129 PolarHBondContact O-N 3.49Å; I125-L139 HydrophobicContact CB-CD1 4.17Å; I125-L139 HydrophobicContact CB-CD2 4.47Å; I125-L139 HydrophobicContact CG2-CD1 4.24Å; I125-L139 HydrophobicContact CG2-CD2 3.69Å
126	C	90	Very high	85.3	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-57.5	-37.3	173.5	-66.8	0	0	0	0	112	P122 S123 T130 C153 V161	P122-C126 PolarHBondContact O-N 3.16Å; P122-C126 PolarHBondContact O-SG 2.85Å; P122-C126 VanDerWaalsContact O-SG 3.36Å; S123-C126 PolarHBondContact O-N 3.1Å; C126-T130 VanDerWaalsContact O-CB 3.3Å; C126-T130 WeakPolarHBondContact O-CB 3.44Å; C126-T130 PolarHBondContact O-N 3.31Å; C126-T130 PolarHBondContact O-OG1 2.94Å; C126-C153 WeakPolarHBondContact CA-SG 3.48Å; C126-C153 HydrophobicContact CB-CB 3.78Å; C126-C153 WeakPolarHBondContact CB-SG 3.39Å; C126-C153 VanDerWaalsContact SG-CA 3.52Å; C126-C153 WeakPolarHBondContact SG-CB 3.47Å; C126-C153 CovalentContact SG-SG 2.03Å; C126-C153 PolarHBondContact SG-SG 3.44Å; C126-V161 HydrophobicContact CB-CG2 4.47Å
127	N	89.3	Confident	85.7	Confident	71 Å²	71	60.4 Å²	60.4	38%	0.38	30%	0.296	S	S	.	.	H	α-helix	trans	-67.1	-41.6	175.3	-69.7	-21.2	0	0	0	112.7	S123 N124 I125 T130 Q131 N160	S123-N127 VanDerWaalsContact O-CG 3.31Å; S123-N127 PolarHBondContact O-N 2.7Å; S123-N127 PolarHBondContact O-ND2 2.68Å; N124-N127 WeakPolarHBondContact O-CB 3.46Å; N124-N127 PolarHBondContact O-N 3.5Å; I125-N127 PolarHBondContact O-N 3.17Å; N127-T130 PolarHBondContact O-N 3.15Å; N127-Q131 WeakPolarHBondContact O-CG 3.39Å; N127-Q131 PolarHBondContact O-N 3.01Å; N127-N160 PolarHBondContact OD1-ND2 3.17Å
128	I	88.3	Confident	86.4	Confident	47 Å²	47	54.4 Å²	54.4	24%	0.241	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-48.6	175.4	-68	164.8	0	0	0	110.4	N124 I125 T130 Q131 K132	N124-I128 WeakPolarHBondContact O-CG1 3.48Å; N124-I128 PolarHBondContact O-N 2.84Å; I125-I128 HydrophobicContact CD1-CD1 4.05Å; I125-I128 PolarHBondContact O-N 3.12Å; I125-I128 VanDerWaalsContact O-N 3.13Å; I128-T130 VanDerWaalsContact C-N 3.33Å; I128-T130 PolarHBondContact O-N 3.4Å; I128-Q131 WeakPolarHBondContact O-CB 3.3Å; I128-Q131 PolarHBondContact O-N 3.19Å; I128-K132 PolarHBondContact O-N 3.36Å; I128-K132 VanDerWaalsContact O-N 3.11Å
129	Y	87.8	Confident	87.5	Confident	1 Å²	1	48.5 Å²	48.5	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-67	-33.7	178.2	-78.7	-70.9	0	0	0	112.8	V114 I125 Q131 K132 E133 Q134 I137	V114-Y129 HydrophobicContact CG2-CE2 3.89Å; V114-Y129 WeakPolarHBondContact CG2-OH 3.37Å; I125-Y129 HydrophobicContact CG2-CD2 3.6Å; I125-Y129 HydrophobicContact CG2-CE2 3.49Å; I125-Y129 VanDerWaalsContact CG2-CE2 3.49Å; I125-Y129 VanDerWaalsContact O-CD2 3.3Å; I125-Y129 WeakPolarHBondContact O-CD2 3.46Å; I125-Y129 PolarHBondContact O-N 3.49Å; Y129-Q131 VanDerWaalsContact C-N 3.35Å; Y129-K132 CarbonylContact O-C 3.57Å; Y129-K132 WeakPolarHBondContact O-CA 3.44Å; Y129-K132 PolarHBondContact O-N 3.35Å; Y129-K132 VanDerWaalsContact O-N 3.16Å; Y129-E133 PolarHBondContact O-N 2.78Å; Y129-Q134 CarbonylContact C-O 3.4Å; Y129-Q134 HydrophobicContact CD1-CB 4.13Å; Y129-Q134 PolarHBondContact O-N 3.38Å; Y129-I137 HydrophobicContact CD1-CD1 3.7Å; Y129-I137 HydrophobicContact CD1-CG1 4.3Å; Y129-I137 HydrophobicContact CD2-CD1 4.37Å; Y129-I137 HydrophobicContact CD2-CG1 4.27Å; Y129-I137 HydrophobicContact CD2-CG2 3.99Å; Y129-I137 HydrophobicContact CE1-CD1 4.21Å; Y129-I137 HydrophobicContact CE2-CG2 4.25Å; Y129-I137 HydrophobicContact CG-CD1 3.8Å; Y129-I137 HydrophobicContact CG-CG1 3.87Å; Y129-I137 HydrophobicContact CG-CG2 4.43Å
130	T	88.8	Confident	88.4	Confident	32 Å²	32	41.1 Å²	41.1	20%	0.196	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-39.9	173	-60.3	0	0	0	0	111.5	C126 N127 I128 K132 E133 Y135 Y155	C126-T130 VanDerWaalsContact O-CB 3.3Å; C126-T130 WeakPolarHBondContact O-CB 3.44Å; C126-T130 PolarHBondContact O-N 3.31Å; C126-T130 PolarHBondContact O-OG1 2.94Å; N127-T130 PolarHBondContact O-N 3.15Å; I128-T130 VanDerWaalsContact C-N 3.33Å; I128-T130 PolarHBondContact O-N 3.4Å; T130-K132 VanDerWaalsContact C-N 3.26Å; T130-K132 PolarHBondContact O-N 3.06Å; T130-E133 WeakPolarHBondContact O-CA 3.31Å; T130-E133 PolarHBondContact O-N 2.93Å; T130-Y135 HydrophobicContact CG2-CE1 4.31Å; T130-Y155 HydrophobicContact CG2-CD2 3.64Å; T130-Y155 HydrophobicContact CG2-CE2 3.47Å; T130-Y155 VanDerWaalsContact CG2-CE2 3.47Å
131	Q	87.4	Confident	88.8	Confident	162 Å²	162	40 Å²	40	76%	0.757	20%	0.196	S	C	*	.	H	α-helix	trans	-65.2	-30.6	173.9	-71.4	174.4	-1.9	0	0	112.4	N127 I128 Y129	N127-Q131 WeakPolarHBondContact O-CG 3.39Å; N127-Q131 PolarHBondContact O-N 3.01Å; I128-Q131 WeakPolarHBondContact O-CB 3.3Å; I128-Q131 PolarHBondContact O-N 3.19Å; Y129-Q131 VanDerWaalsContact C-N 3.35Å
132	K	84.6	Confident	88.5	Confident	65 Å²	65	37.4 Å²	37.4	28%	0.283	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	2.9	170.9	-62.3	179.5	-174.4	178.3	0	113.2	P93 D94 I128 Y129 T130 Q134	P93-K132 PolarHBondContact O-NZ 3.31Å; D94-K132 IonicContact OD1-NZ 2.7Å; D94-K132 PolarHBondContact OD1-NZ 3.05Å; I128-K132 PolarHBondContact O-N 3.36Å; I128-K132 VanDerWaalsContact O-N 3.11Å; Y129-K132 CarbonylContact O-C 3.57Å; Y129-K132 WeakPolarHBondContact O-CA 3.44Å; Y129-K132 PolarHBondContact O-N 3.35Å; Y129-K132 VanDerWaalsContact O-N 3.16Å; T130-K132 VanDerWaalsContact C-N 3.26Å; T130-K132 PolarHBondContact O-N 3.06Å; K132-Q134 VanDerWaalsContact C-N 3.25Å; K132-Q134 HydrophobicContact CB-CG 4.4Å; K132-Q134 PolarHBondContact O-N 2.95Å
133	E	86.5	Confident	88	Confident	56 Å²	56	39.5 Å²	39.5	26%	0.262	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	36.4	-178.3	-52.9	-173.8	146.7	0	0	114.2	Q108 Y129 T130 Y135 R495	Q108-E133 PolarHBondContact NE2-O 3.43Å; Y129-E133 PolarHBondContact O-N 2.78Å; T130-E133 WeakPolarHBondContact O-CA 3.31Å; T130-E133 PolarHBondContact O-N 2.93Å; E133-Y135 HydrophobicContact CB-CE2 3.97Å; E133-Y135 WeakPolarHBondContact O-CD2 3.2Å; E133-Y135 WeakPolarHBondContact O-CE2 3.41Å; E133-R495 IonicContact OE1-CZ 2.68Å; E133-R495 IonicContact OE1-NH1 3.66Å; E133-R495 IonicContact OE1-NH2 3.16Å; E133-R495 PolarHBondContact OE1-NH2 3.31Å; E133-R495 IonicContact OE2-CZ 2.89Å; E133-R495 IonicContact OE2-NH2 3.41Å; E133-R495 PolarHBondContact OE2-NH2 2.9Å
134	Q	88.1	Confident	87.7	Confident	27 Å²	27	37.6 Å²	37.6	13%	0.126	18%	0.182	C	C	.	.			trans	-111.2	113.2	176.3	-66.7	171.2	-3.6	0	0	108.4	Q108 Y129 K132 I137	Q108-Q134 HydrophobicContact CG-CG 4.49Å; Y129-Q134 CarbonylContact C-O 3.4Å; Y129-Q134 HydrophobicContact CD1-CB 4.13Å; Y129-Q134 PolarHBondContact O-N 3.38Å; K132-Q134 VanDerWaalsContact C-N 3.25Å; K132-Q134 HydrophobicContact CB-CG 4.4Å; K132-Q134 PolarHBondContact O-N 2.95Å; Q134-I137 HydrophobicContact CB-CD1 4.09Å
135	Y	90.2	Very high	87.1	Confident	25 Å²	25	35.6 Å²	35.6	10%	0.098	17%	0.173	C	C	.	.			trans	-106.1	-25.9	-167.1	-59	-85.2	0	0	0	113.5	T130 E133 I137 Y155 Q176 F177 P499	T130-Y135 HydrophobicContact CG2-CE1 4.31Å; E133-Y135 HydrophobicContact CB-CE2 3.97Å; E133-Y135 WeakPolarHBondContact O-CD2 3.2Å; E133-Y135 WeakPolarHBondContact O-CE2 3.41Å; Y135-I137 VanDerWaalsContact C-N 3.34Å; Y135-I137 PolarHBondContact O-N 2.8Å; Y135-Y155 AromaticContact CD1-CD1 3.98Å; Y135-Y155 HydrophobicContact CD1-CD1 3.98Å; Y135-Y155 HydrophobicContact CD1-CD2 4.21Å; Y135-Y155 AromaticContact CD1-CG 3.76Å; Y135-Y155 HydrophobicContact CD1-CG 3.76Å; Y135-Y155 AromaticContact CE1-CD1 3.73Å; Y135-Y155 HydrophobicContact CE1-CD1 3.73Å; Y135-Y155 AromaticContact CE1-CD2 3.86Å; Y135-Y155 HydrophobicContact CE1-CD2 3.86Å; Y135-Y155 AromaticContact CE1-CE1 3.9Å; Y135-Y155 HydrophobicContact CE1-CE1 3.9Å; Y135-Y155 HydrophobicContact CE1-CE2 4.06Å; Y135-Y155 AromaticContact CE1-CG 3.7Å; Y135-Y155 HydrophobicContact CE1-CG 3.7Å; Y135-Q176 PolarHBondContact O-NE2 3.26Å; Y135-F177 HydrophobicContact CD1-CE2 4.23Å; Y135-F177 AromaticContact CD1-CZ 3.94Å; Y135-F177 HydrophobicContact CD1-CZ 3.94Å; Y135-F177 AromaticContact CD2-CE2 3.69Å; Y135-F177 HydrophobicContact CD2-CE2 3.69Å; Y135-F177 AromaticContact CD2-CZ 3.7Å; Y135-F177 HydrophobicContact CD2-CZ 3.7Å; Y135-F177 AromaticContact CE1-CZ 4Å; Y135-F177 HydrophobicContact CE1-CZ 4Å; Y135-F177 HydrophobicContact CE2-CE2 4.25Å; Y135-F177 AromaticContact CE2-CZ 3.8Å; Y135-F177 HydrophobicContact CE2-CZ 3.8Å; Y135-F177 AromaticContact CG-CE2 3.68Å; Y135-F177 HydrophobicContact CG-CE2 3.68Å; Y135-F177 AromaticContact CG-CZ 3.78Å; Y135-F177 HydrophobicContact CG-CZ 3.78Å; Y135-F177 AromaticContact CZ-CZ 3.93Å; Y135-P499 HydrophobicContact CD2-CB 3.74Å; Y135-P499 HydrophobicContact CD2-CG 4.11Å; Y135-P499 HydrophobicContact CE2-CB 3.52Å; Y135-P499 HydrophobicContact CE2-CG 3.36Å
136	N	91.9	Very high	86.6	Confident	23 Å²	23	44.6 Å²	44.6	12%	0.123	21%	0.212	C	C	.	.			trans	-86.7	72.8	-177.7	-67.7	-28.7	0	0	0	111.2	R109 R111 R112 F173	R109-N136 PolarHBondContact O-ND2 3.34Å; R111-N136 HydrophobicContact CG-CB 4.42Å; R112-N136 PolarHBondContact N-O 3.13Å; N136-F173 HydrophobicContact CB-CD1 4.17Å; N136-F173 HydrophobicContact CB-CE1 4.49Å; N136-F173 WeakPolarHBondContact O-CE1 3.24Å
137	I	92.9	Very high	86.1	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.6	-174.2	-45.1	-59.6	0	0	0	111.3	R112 V114 Y129 Q134 Y135 L139 C153	R112-I137 HydrophobicContact CB-CD1 3.73Å; R112-I137 VanDerWaalsContact CD-CD1 3.43Å; R112-I137 HydrophobicContact CG-CD1 4.13Å; V114-I137 HydrophobicContact CG2-CG2 4.14Å; Y129-I137 HydrophobicContact CD1-CD1 3.7Å; Y129-I137 HydrophobicContact CD1-CG1 4.3Å; Y129-I137 HydrophobicContact CD2-CD1 4.37Å; Y129-I137 HydrophobicContact CD2-CG1 4.27Å; Y129-I137 HydrophobicContact CD2-CG2 3.99Å; Y129-I137 HydrophobicContact CE1-CD1 4.21Å; Y129-I137 HydrophobicContact CE2-CG2 4.25Å; Y129-I137 HydrophobicContact CG-CD1 3.8Å; Y129-I137 HydrophobicContact CG-CG1 3.87Å; Y129-I137 HydrophobicContact CG-CG2 4.43Å; Q134-I137 HydrophobicContact CB-CD1 4.09Å; Y135-I137 VanDerWaalsContact C-N 3.34Å; Y135-I137 PolarHBondContact O-N 2.8Å; I137-L139 HydrophobicContact CG2-CD2 3.61Å; I137-L139 HydrophobicContact CG2-CG 4.18Å; I137-C153 HydrophobicContact CB-CB 4.15Å; I137-C153 PolarHBondContact O-N 2.81Å
138	A	93.7	Very high	85.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.8	166.8	0	0	0	0	0	109.5	R112 L113 V114 I150 Y151 T152 I172 F173	R112-A138 PolarHBondContact O-N 2.99Å; L113-A138 CarbonylContact C-O 3.55Å; L113-A138 WeakPolarHBondContact CA-O 3.35Å; L113-A138 HydrophobicContact CD1-CB 3.87Å; V114-A138 PolarHBondContact N-O 2.9Å; A138-I150 HydrophobicContact CB-CG2 4.13Å; A138-Y151 CarbonylContact C-O 3.35Å; A138-T152 HydrophobicContact CB-CG2 4.49Å; A138-I172 HydrophobicContact CB-CG2 3.66Å; A138-F173 HydrophobicContact CB-CE1 3.84Å; A138-F173 HydrophobicContact CB-CE2 4.25Å; A138-F173 HydrophobicContact CB-CZ 3.54Å
139	L	92.1	Very high	85.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.5	-172	-50.1	169	0	0	0	109.1	V114 L116 P122 I125 I137 Y151	V114-L139 HydrophobicContact CB-CD2 3.69Å; V114-L139 HydrophobicContact CG1-CD2 4.44Å; V114-L139 HydrophobicContact CG2-CD2 3.94Å; V114-L139 WeakPolarHBondContact O-CA 3.5Å; L116-L139 HydrophobicContact CD1-CB 3.82Å; L116-L139 HydrophobicContact CD1-CD1 4.09Å; L116-L139 HydrophobicContact CD1-CD2 4.3Å; L116-L139 HydrophobicContact CD1-CG 4.29Å; L116-L139 HydrophobicContact CG-CB 4.32Å; L116-L139 HydrophobicContact CG-CD2 4.48Å; P122-L139 HydrophobicContact CB-CD1 3.84Å; I125-L139 HydrophobicContact CB-CD1 4.17Å; I125-L139 HydrophobicContact CB-CD2 4.47Å; I125-L139 HydrophobicContact CG2-CD1 4.24Å; I125-L139 HydrophobicContact CG2-CD2 3.69Å; I137-L139 HydrophobicContact CG2-CD2 3.61Å; I137-L139 HydrophobicContact CG2-CG 4.18Å; L139-Y151 WeakPolarHBondContact CB-O 3.37Å; L139-Y151 PolarHBondContact N-O 2.8Å; L139-Y151 PolarHBondContact O-N 3.37Å
140	V	90.6	Very high	86.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	141	177.3	177.9	0	0	0	0	108.2	L33 L36 L113 V114 L115 L116 F144 I150	L33-V140 HydrophobicContact CD2-CG1 4.33Å; L36-V140 HydrophobicContact CD2-CG2 3.64Å; L113-V140 HydrophobicContact CD1-CG2 3.74Å; V114-V140 PolarHBondContact O-N 2.81Å; L115-V140 CarbonylContact C-O 3.37Å; L115-V140 WeakPolarHBondContact CA-O 3.24Å; L115-V140 HydrophobicContact CD1-CB 4.26Å; L115-V140 HydrophobicContact CD1-CG1 4.09Å; L116-V140 PolarHBondContact N-O 2.98Å; V140-F144 HydrophobicContact CG1-CB 3.57Å; V140-F144 HydrophobicContact CG1-CD1 4.05Å; V140-F144 HydrophobicContact CG1-CD2 3.49Å; V140-F144 VanDerWaalsContact CG1-CD2 3.49Å; V140-F144 HydrophobicContact CG1-CE2 4.14Å; V140-F144 HydrophobicContact CG1-CG 3.44Å; V140-F144 VanDerWaalsContact CG1-CG 3.44Å; V140-I150 HydrophobicContact CG2-CG2 4.45Å
141	R	87.8	Confident	86.3	Confident	68 Å²	68	44.8 Å²	44.8	26%	0.257	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	157.1	177	-65.3	-172.7	-175.1	-174	4.9	111.1	L116 N143 F144 Y151	L116-R141 WeakPolarHBondContact O-CA 3.35Å; R141-N143 WeakPolarHBondContact CB-OD1 3.4Å; R141-N143 PolarHBondContact O-N 3.28Å; R141-N143 VanDerWaalsContact O-N 3.08Å; R141-F144 VanDerWaalsContact O-CB 3.3Å; R141-F144 WeakPolarHBondContact O-CB 3.39Å; R141-F144 PolarHBondContact O-N 2.97Å; R141-Y151 HydrophobicContact CG-CE2 4.18Å
142	E	78.9	Confident	86.5	Confident	68 Å²	68	37.1 Å²	37.1	32%	0.318	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-27.1	173.6	-72.4	174.7	175.8	0	0	113.3	M29 L116 K117 F144	M29-E142 WeakPolarHBondContact CE-O 3.28Å; L116-E142 PolarHBondContact O-N 2.98Å; K117-E142 VanDerWaalsContact CG-OE1 3.3Å; K117-E142 WeakPolarHBondContact CG-OE1 3.32Å; E142-F144 PolarHBondContact O-N 3.11Å
143	N	75.4	Confident	87	Confident	54 Å²	54	34.4 Å²	34.4	29%	0.289	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	20.8	176.2	71.6	11.1	0	0	0	115.1	R141 T145 K146 S147	R141-N143 WeakPolarHBondContact CB-OD1 3.4Å; R141-N143 PolarHBondContact O-N 3.28Å; R141-N143 VanDerWaalsContact O-N 3.08Å; N143-T145 PolarHBondContact O-N 3.17Å; N143-T145 VanDerWaalsContact O-N 3.13Å; N143-K146 PolarHBondContact O-N 3.29Å; N143-S147 PolarHBondContact O-N 2.9Å; N143-S147 PolarHBondContact O-OG 3.4Å; N143-S147 PolarHBondContact OD1-OG 3.28Å
144	F	80.4	Confident	87.3	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-54.3	-33.9	-174.2	-173.3	-124.5	0	0	0	114.2	M29 E32 L33 L36 V140 R141 E142 K146 S147 K148 I150 L166	M29-F144 HydrophobicContact CE-CB 3.74Å; M29-F144 HydrophobicContact SD-CB 4.09Å; E32-F144 HydrophobicContact CB-CD1 3.86Å; E32-F144 HydrophobicContact CB-CE1 3.82Å; L33-F144 HydrophobicContact CD2-CD1 4.16Å; L33-F144 HydrophobicContact CD2-CE1 4.43Å; L36-F144 HydrophobicContact CB-CE1 4.41Å; L36-F144 HydrophobicContact CB-CZ 4.43Å; L36-F144 HydrophobicContact CD2-CE1 4.34Å; L36-F144 HydrophobicContact CD2-CZ 4.08Å; V140-F144 HydrophobicContact CG1-CB 3.57Å; V140-F144 HydrophobicContact CG1-CD1 4.05Å; V140-F144 HydrophobicContact CG1-CD2 3.49Å; V140-F144 VanDerWaalsContact CG1-CD2 3.49Å; V140-F144 HydrophobicContact CG1-CE2 4.14Å; V140-F144 HydrophobicContact CG1-CG 3.44Å; V140-F144 VanDerWaalsContact CG1-CG 3.44Å; R141-F144 VanDerWaalsContact O-CB 3.3Å; R141-F144 WeakPolarHBondContact O-CB 3.39Å; R141-F144 PolarHBondContact O-N 2.97Å; E142-F144 PolarHBondContact O-N 3.11Å; F144-K146 PolarHBondContact O-N 3.23Å; F144-S147 PolarHBondContact O-N 3.38Å; F144-K148 WeakPolarHBondContact O-CA 3.5Å; F144-K148 PolarHBondContact O-N 3.48Å; F144-I150 HydrophobicContact CE2-CG1 3.84Å; F144-I150 HydrophobicContact CZ-CG1 4.25Å; F144-L166 HydrophobicContact CE1-CD2 4.26Å; F144-L166 HydrophobicContact CZ-CB 4.3Å; F144-L166 HydrophobicContact CZ-CD1 4.34Å; F144-L166 HydrophobicContact CZ-CD2 4Å; F144-L166 HydrophobicContact CZ-CG 4.44Å
145	T	77	Confident	87.5	Confident	43 Å²	43	34.1 Å²	34.1	26%	0.264	16%	0.159	S	C	.	.	H	α-helix	trans	-54.5	-34.6	175.8	38.2	0	0	0	0	113.6	L28 M29 E32 N143	L28-T145 HydrophobicContact CB-CG2 3.84Å; M29-T145 HydrophobicContact CB-CG2 4.28Å; M29-T145 HydrophobicContact CG-CG2 3.65Å; M29-T145 HydrophobicContact SD-CG2 3.32Å; M29-T145 WeakPolarHBondContact SD-CG2 3.23Å; M29-T145 PolarHBondContact SD-N 3.48Å; M29-T145 VanDerWaalsContact SD-N 3.36Å; M29-T145 PolarHBondContact SD-OG1 2.86Å; E32-T145 HydrophobicContact CG-CG2 4.46Å; N143-T145 PolarHBondContact O-N 3.17Å; N143-T145 VanDerWaalsContact O-N 3.13Å
146	K	77.7	Confident	87.5	Confident	190 Å²	190	34.9 Å²	34.9	83%	0.826	16%	0.163	S	C	*	.	H	α-helix	trans	-92.7	-43.9	-179.1	-65.9	-179.9	-177.4	173.4	0	112.3	N143 F144	N143-K146 PolarHBondContact O-N 3.29Å; F144-K146 PolarHBondContact O-N 3.23Å
147	S	79.5	Confident	87.4	Confident	39 Å²	39	38.5 Å²	38.5	27%	0.273	18%	0.179	S	C	.	.	H	α-helix	trans	-77.7	-40.2	-174.5	56.7	0	0	0	0	112.2	N143 F144 S149	N143-S147 PolarHBondContact O-N 2.9Å; N143-S147 PolarHBondContact O-OG 3.4Å; N143-S147 PolarHBondContact OD1-OG 3.28Å; F144-S147 PolarHBondContact O-N 3.38Å; S147-S149 PolarHBondContact O-N 3.27Å; S147-S149 PolarHBondContact O-OG 3.24Å
148	K	84.4	Confident	87.1	Confident	75 Å²	75	46 Å²	46	33%	0.326	22%	0.219	S	C	.	.			trans	51.9	20.5	-169.1	-58	-171.2	174.2	-149.7	0	113.4	E32 F144 L166	E32-K148 WeakPolarHBondContact OE1-CE 3.41Å; E32-K148 IonicContact OE1-NZ 3.81Å; E32-K148 PolarHBondContact OE1-NZ 3.29Å; E32-K148 IonicContact OE2-NZ 3.94Å; F144-K148 WeakPolarHBondContact O-CA 3.5Å; F144-K148 PolarHBondContact O-N 3.48Å; K148-L166 HydrophobicContact CB-CB 4.35Å; K148-L166 PolarHBondContact O-N 3.4Å
149	S	88.4	Confident	86.8	Confident	8 Å²	8	50.4 Å²	50.4	6%	0.056	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.9	-178	-59.7	0	0	0	0	110.3	S147 E163	S147-S149 PolarHBondContact O-N 3.27Å; S147-S149 PolarHBondContact O-OG 3.24Å; S149-E163 WeakPolarHBondContact CB-OE1 3.4Å; S149-E163 PolarHBondContact OG-OE1 2.93Å
150	I	91.8	Very high	86.7	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.5	176.2	-54.6	155.4	0	0	0	106.2	L36 A138 V140 F144 T152 V164 L166 I172	L36-I150 HydrophobicContact CD1-CD1 3.48Å; L36-I150 VanDerWaalsContact CD1-CD1 3.48Å; L36-I150 HydrophobicContact CD1-CG1 4.27Å; A138-I150 HydrophobicContact CB-CG2 4.13Å; V140-I150 HydrophobicContact CG2-CG2 4.45Å; F144-I150 HydrophobicContact CE2-CG1 3.84Å; F144-I150 HydrophobicContact CZ-CG1 4.25Å; I150-T152 HydrophobicContact CG2-CG2 4.21Å; I150-V164 WeakPolarHBondContact CB-O 3.36Å; I150-V164 PolarHBondContact N-O 3.01Å; I150-V164 PolarHBondContact O-N 3.44Å; I150-L166 HydrophobicContact CD1-CB 4.44Å; I150-L166 HydrophobicContact CD1-CD1 4.24Å; I150-I172 HydrophobicContact CD1-CD1 3.76Å; I150-I172 HydrophobicContact CD1-CG1 4.14Å; I150-I172 HydrophobicContact CG2-CG2 4.07Å
151	Y	92.1	Very high	86.7	Confident	35 Å²	35	53.4 Å²	53.4	14%	0.137	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.6	178.4	-57.8	-90.2	0	0	0	108.9	P122 A138 L139 R141 V161 E163	P122-Y151 HydrophobicContact CB-CD1 4.39Å; P122-Y151 HydrophobicContact CB-CG 4.15Å; P122-Y151 HydrophobicContact CG-CD1 4.08Å; P122-Y151 HydrophobicContact CG-CD2 4.12Å; P122-Y151 HydrophobicContact CG-CE1 4.45Å; P122-Y151 HydrophobicContact CG-CG 3.89Å; A138-Y151 CarbonylContact C-O 3.35Å; L139-Y151 WeakPolarHBondContact CB-O 3.37Å; L139-Y151 PolarHBondContact N-O 2.8Å; L139-Y151 PolarHBondContact O-N 3.37Å; R141-Y151 HydrophobicContact CG-CE2 4.18Å; Y151-V161 HydrophobicContact CD1-CG1 4.07Å; Y151-V161 HydrophobicContact CG-CG1 4.49Å; Y151-E163 HydrophobicContact CD1-CB 4.31Å; Y151-E163 HydrophobicContact CD1-CG 4.27Å; Y151-E163 HydrophobicContact CE1-CB 4.36Å; Y151-E163 HydrophobicContact CE1-CG 4.03Å
152	T	93.3	Very high	87	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.3	-175.3	64.4	0	0	0	0	109.6	A138 I150 R154 V161 D162 V164 I172	A138-T152 HydrophobicContact CB-CG2 4.49Å; I150-T152 HydrophobicContact CG2-CG2 4.21Å; T152-R154 PolarHBondContact OG1-NE 3.1Å; T152-R154 PolarHBondContact OG1-NH2 3.24Å; T152-V161 WeakPolarHBondContact O-CA 3.3Å; T152-D162 PolarHBondContact N-O 3.33Å; T152-D162 PolarHBondContact O-N 2.92Å; T152-D162 PolarHBondContact OG1-O 3.07Å; T152-V164 HydrophobicContact CG2-CG2 4.02Å; T152-I172 HydrophobicContact CG2-CG2 3.8Å; T152-I172 VanDerWaalsContact CG2-O 3.32Å; T152-I172 WeakPolarHBondContact CG2-O 3.32Å
153	C	93.4	Very high	87.6	Confident	8 Å²	8	53.4 Å²	53.4	5%	0.054	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	129.9	179.3	-58.4	0	0	0	0	110.3	C126 I137 N160 Q176	C126-C153 WeakPolarHBondContact CA-SG 3.48Å; C126-C153 HydrophobicContact CB-CB 3.78Å; C126-C153 WeakPolarHBondContact CB-SG 3.39Å; C126-C153 VanDerWaalsContact SG-CA 3.52Å; C126-C153 WeakPolarHBondContact SG-CB 3.47Å; C126-C153 CovalentContact SG-SG 2.03Å; C126-C153 PolarHBondContact SG-SG 3.44Å; I137-C153 HydrophobicContact CB-CB 4.15Å; I137-C153 PolarHBondContact O-N 2.81Å; C153-N160 WeakPolarHBondContact CA-O 3.42Å; C153-Q176 PolarHBondContact O-NE2 3.2Å; C153-Q176 PolarHBondContact O-OE1 3.25Å
154	R	93.2	Very high	88.3	Confident	10 Å²	10	50.9 Å²	50.9	4%	0.038	26%	0.256	C	S	.	.			trans	-124.2	86.7	-178.9	-57	-59.5	-166.1	-149.1	-0.1	110.2	T152 F156 Q157 N160 D162 P171 I172 Q176	T152-R154 PolarHBondContact OG1-NE 3.1Å; T152-R154 PolarHBondContact OG1-NH2 3.24Å; R154-F156 VanDerWaalsContact C-N 3.33Å; R154-F156 PolarHBondContact O-N 2.77Å; R154-Q157 HydrophobicContact CB-CB 3.8Å; R154-Q157 HydrophobicContact CB-CG 3.96Å; R154-Q157 PolarHBondContact O-N 3.04Å; R154-Q157 VanDerWaalsContact O-N 3.11Å; R154-N160 PolarHBondContact N-O 3.26Å; R154-N160 WeakPolarHBondContact O-CA 3.46Å; R154-D162 HydrophobicContact CG-CB 3.6Å; R154-D162 IonicContact CZ-OD2 2.72Å; R154-D162 IonicContact NE-OD2 2.78Å; R154-D162 PolarHBondContact NE-OD2 2.96Å; R154-D162 IonicContact NH2-OD2 2.66Å; R154-D162 PolarHBondContact NH2-OD2 3.15Å; R154-P171 PolarHBondContact NH2-O 3.17Å; R154-I172 PolarHBondContact NH1-O 2.87Å; R154-Q176 VanDerWaalsContact CA-OE1 3.32Å
155	Y	92.3	Very high	88.7	Confident	66 Å²	66	55.3 Å²	55.3	26%	0.259	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.7	-172.8	177.7	-119.2	0	0	0	114.8	T130 Y135 F177 K183	T130-Y155 HydrophobicContact CG2-CD2 3.64Å; T130-Y155 HydrophobicContact CG2-CE2 3.47Å; T130-Y155 VanDerWaalsContact CG2-CE2 3.47Å; Y135-Y155 AromaticContact CD1-CD1 3.98Å; Y135-Y155 HydrophobicContact CD1-CD1 3.98Å; Y135-Y155 HydrophobicContact CD1-CD2 4.21Å; Y135-Y155 AromaticContact CD1-CG 3.76Å; Y135-Y155 HydrophobicContact CD1-CG 3.76Å; Y135-Y155 AromaticContact CE1-CD1 3.73Å; Y135-Y155 HydrophobicContact CE1-CD1 3.73Å; Y135-Y155 AromaticContact CE1-CD2 3.86Å; Y135-Y155 HydrophobicContact CE1-CD2 3.86Å; Y135-Y155 AromaticContact CE1-CE1 3.9Å; Y135-Y155 HydrophobicContact CE1-CE1 3.9Å; Y135-Y155 HydrophobicContact CE1-CE2 4.06Å; Y135-Y155 AromaticContact CE1-CG 3.7Å; Y135-Y155 HydrophobicContact CE1-CG 3.7Å; Y155-F177 HydrophobicContact CD1-CZ 4.44Å; Y155-K183 PolarHBondContact OH-NZ 2.93Å
156	F	91.3	Very high	89.1	Confident	41 Å²	41	54 Å²	54	18%	0.18	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	13.2	179.7	-62.3	-70.5	0	0	0	113.9	R154 Q176 F177 M180 K181 K183	R154-F156 VanDerWaalsContact C-N 3.33Å; R154-F156 PolarHBondContact O-N 2.77Å; F156-Q176 HydrophobicContact CD2-CB 4.2Å; F156-Q176 VanDerWaalsContact CD2-O 3.23Å; F156-Q176 WeakPolarHBondContact CD2-O 3.4Å; F156-Q176 HydrophobicContact CE2-CB 4.46Å; F156-Q176 WeakPolarHBondContact CE2-O 3.33Å; F156-F177 AromaticContact CE2-CD1 3.63Å; F156-F177 HydrophobicContact CE2-CD1 3.63Å; F156-F177 AromaticContact CE2-CE1 3.78Å; F156-F177 HydrophobicContact CE2-CE1 3.78Å; F156-F177 HydrophobicContact CE2-CG 4.1Å; F156-F177 HydrophobicContact CE2-CZ 4.35Å; F156-F177 AromaticContact CZ-CD1 3.66Å; F156-F177 HydrophobicContact CZ-CD1 3.66Å; F156-F177 AromaticContact CZ-CE1 3.62Å; F156-F177 HydrophobicContact CZ-CE1 3.62Å; F156-F177 HydrophobicContact CZ-CZ 4.48Å; F156-M180 WeakPolarHBondContact CD1-O 3.28Å; F156-M180 HydrophobicContact CE1-CB 4.13Å; F156-M180 WeakPolarHBondContact CE1-O 3.21Å; F156-M180 HydrophobicContact CE2-CG 4.37Å; F156-M180 HydrophobicContact CZ-CB 3.98Å; F156-M180 HydrophobicContact CZ-CG 3.91Å; F156-K181 HydrophobicContact CB-CG 4.11Å; F156-K183 HydrophobicContact CE1-CB 4.03Å; F156-K183 HydrophobicContact CE1-CG 4.4Å
157	Q	89.6	Confident	89.4	Confident	100 Å²	100	50.2 Å²	50.2	47%	0.467	27%	0.268	S	S	.	.	S	Bend	trans	-118.4	152.3	177.7	-60.6	-178.4	8.8	0	0	110.5	R154 P159 N160	R154-Q157 HydrophobicContact CB-CB 3.8Å; R154-Q157 HydrophobicContact CB-CG 3.96Å; R154-Q157 PolarHBondContact O-N 3.04Å; R154-Q157 VanDerWaalsContact O-N 3.11Å; Q157-P159 CarbonylContact C-O 3.54Å; Q157-P159 CarbonylContact O-C 3.59Å; Q157-N160 WeakPolarHBondContact O-CA 3.32Å; Q157-N160 PolarHBondContact O-N 2.92Å
158	D	86.1	Confident	89.6	Confident	160 Å²	160	49.8 Å²	49.8	86%	0.856	27%	0.269	S	S	*	.	S	Bend	trans	-125.7	114.7	172	-171.9	20.6	0	0	0	108.4
159	P	87.2	Confident	89.6	Confident	92 Å²	92	53.2 Å²	53.2	60%	0.597	30%	0.297	S	S	*	.	S	Bend	cis	-68	153.1	2.4	29.4	-35.5	0	0	0	113.7	Q157 V161	Q157-P159 CarbonylContact C-O 3.54Å; Q157-P159 CarbonylContact O-C 3.59Å; P159-V161 PolarHBondContact O-N 2.91Å
160	N	89.4	Confident	89.7	Confident	34 Å²	34	58.3 Å²	58.3	18%	0.182	32%	0.318	C	S	.	.	S	Bend	trans	-77.2	15.4	-178.2	72.4	-19.4	0	0	0	114.6	N127 C153 R154 Q157	N127-N160 PolarHBondContact OD1-ND2 3.17Å; C153-N160 WeakPolarHBondContact CA-O 3.42Å; R154-N160 PolarHBondContact N-O 3.26Å; R154-N160 WeakPolarHBondContact O-CA 3.46Å; Q157-N160 WeakPolarHBondContact O-CA 3.32Å; Q157-N160 PolarHBondContact O-N 2.92Å
161	V	92.4	Very high	89.6	Confident	29 Å²	29	61.3 Å²	61.3	18%	0.176	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.5	179.2	-176.2	0	0	0	0	108.6	P122 C126 Y151 T152 P159	P122-V161 HydrophobicContact CB-CG1 4.16Å; P122-V161 HydrophobicContact CB-CG2 4.48Å; C126-V161 HydrophobicContact CB-CG2 4.47Å; Y151-V161 HydrophobicContact CD1-CG1 4.07Å; Y151-V161 HydrophobicContact CG-CG1 4.49Å; T152-V161 WeakPolarHBondContact O-CA 3.3Å; P159-V161 PolarHBondContact O-N 2.91Å
162	D	92.3	Very high	89.6	Confident	37 Å²	37	59.7 Å²	59.7	20%	0.198	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132	174.6	-178.5	31.7	0	0	0	109.5	T152 R154 K170	T152-D162 PolarHBondContact N-O 3.33Å; T152-D162 PolarHBondContact O-N 2.92Å; T152-D162 PolarHBondContact OG1-O 3.07Å; R154-D162 HydrophobicContact CG-CB 3.6Å; R154-D162 IonicContact CZ-OD2 2.72Å; R154-D162 IonicContact NE-OD2 2.78Å; R154-D162 PolarHBondContact NE-OD2 2.96Å; R154-D162 IonicContact NH2-OD2 2.66Å; R154-D162 PolarHBondContact NH2-OD2 3.15Å; D162-K170 IonicContact OD1-NZ 2.85Å
163	E	91.5	Very high	89.6	Confident	100 Å²	100	60.8 Å²	60.8	47%	0.467	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.5	-179	-171.6	179.6	174.5	0	0	110.3	S149 Y151	S149-E163 WeakPolarHBondContact CB-OE1 3.4Å; S149-E163 PolarHBondContact OG-OE1 2.93Å; Y151-E163 HydrophobicContact CD1-CB 4.31Å; Y151-E163 HydrophobicContact CD1-CG 4.27Å; Y151-E163 HydrophobicContact CE1-CB 4.36Å; Y151-E163 HydrophobicContact CE1-CG 4.03Å
164	V	91.4	Very high	89.5	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.4	-176.8	-178.9	0	0	0	0	109.4	I150 T152 K170 I172	I150-V164 WeakPolarHBondContact CB-O 3.36Å; I150-V164 PolarHBondContact N-O 3.01Å; I150-V164 PolarHBondContact O-N 3.44Å; T152-V164 HydrophobicContact CG2-CG2 4.02Å; V164-K170 HydrophobicContact CG1-CB 4.14Å; V164-K170 WeakPolarHBondContact CG1-O 3.37Å; V164-I172 HydrophobicContact CG1-CG1 4.3Å
165	N	88.8	Confident	89.4	Confident	93 Å²	93	64.7 Å²	64.7	50%	0.497	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	142	174.9	-75.3	-39.2	0	0	0	111.6	S167 G168	N165-S167 VanDerWaalsContact C-N 3.28Å; N165-S167 PolarHBondContact O-N 3.17Å; N165-G168 PolarHBondContact O-N 2.78Å
166	L	85.7	Confident	89.4	Confident	15 Å²	15	62.3 Å²	62.3	8%	0.079	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-41.2	178.1	-178.5	64	0	0	0	112.5	E32 N35 L36 K39 F144 K148 I150 G168	E32-L166 VanDerWaalsContact OE2-CD2 3.28Å; E32-L166 WeakPolarHBondContact OE2-CD2 3.4Å; N35-L166 HydrophobicContact CB-CD2 4.38Å; L36-L166 HydrophobicContact CB-CD1 3.93Å; L36-L166 HydrophobicContact CD1-CD1 3.88Å; K39-L166 HydrophobicContact CD-CD1 4.15Å; K39-L166 WeakPolarHBondContact CD-O 3.22Å; K39-L166 PolarHBondContact NZ-O 3.47Å; F144-L166 HydrophobicContact CE1-CD2 4.26Å; F144-L166 HydrophobicContact CZ-CB 4.3Å; F144-L166 HydrophobicContact CZ-CD1 4.34Å; F144-L166 HydrophobicContact CZ-CD2 4Å; F144-L166 HydrophobicContact CZ-CG 4.44Å; K148-L166 HydrophobicContact CB-CB 4.35Å; K148-L166 PolarHBondContact O-N 3.4Å; I150-L166 HydrophobicContact CD1-CB 4.44Å; I150-L166 HydrophobicContact CD1-CD1 4.24Å; L166-G168 VanDerWaalsContact C-N 3.31Å; L166-G168 PolarHBondContact O-N 3.19Å
167	S	83.7	Confident	89.6	Confident	111 Å²	111	60.8 Å²	60.8	78%	0.776	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-1	177.2	-51.5	0	0	0	0	114.2	N165	N165-S167 VanDerWaalsContact C-N 3.28Å; N165-S167 PolarHBondContact O-N 3.17Å
168	G	83.7	Confident	89.8	Confident	29 Å²	29	62.1 Å²	62.1	30%	0.299	35%	0.346	S	S	.	.	S	Bend	trans	-77.4	160.6	-179.9	0	0	0	0	0	113.2	K39 N165 L166	K39-G168 PolarHBondContact NZ-O 2.84Å; N165-G168 PolarHBondContact O-N 2.78Å; L166-G168 VanDerWaalsContact C-N 3.31Å; L166-G168 PolarHBondContact O-N 3.19Å
169	T	84.9	Confident	90.2	Very high	148 Å²	148	57.3 Å²	57.3	91%	0.908	32%	0.32	S	S	*	.	S	Bend	trans	-87.1	-10.2	177.2	53.5	0	0	0	0	114
170	K	89.4	Confident	90.6	Very high	114 Å²	114	53.1 Å²	53.1	50%	0.496	29%	0.292	S	S	.	.	S	Bend	trans	-67.9	134.3	177.3	-73.4	-174.2	177.1	-175.8	0	110.1	D162 V164	D162-K170 IonicContact OD1-NZ 2.85Å; V164-K170 HydrophobicContact CG1-CB 4.14Å; V164-K170 WeakPolarHBondContact CG1-O 3.37Å
171	P	90.6	Very high	90.8	Very high	63 Å²	63	58 Å²	58	41%	0.409	31%	0.312	S	S	.	.			trans	-69.6	142.9	177.8	29.3	-35.1	0	0	0	111.4	R154 I174	R154-P171 PolarHBondContact NH2-O 3.17Å; P171-I174 HydrophobicContact CB-CG2 4.33Å; P171-I174 HydrophobicContact CG-CG2 3.77Å
172	I	92.3	Very high	90.9	Very high	1 Å²	1	58 Å²	58	1%	0.005	32%	0.318	C	S	.	.	S	Bend	trans	-74.8	-56.1	-179.9	-64.2	163.2	0	0	0	108.9	L36 K39 L40 E43 A138 I150 T152 R154 V164	L36-I172 HydrophobicContact CD1-CD1 3.66Å; K39-I172 HydrophobicContact CD-CD1 4.22Å; L40-I172 HydrophobicContact CD2-CB 3.95Å; L40-I172 HydrophobicContact CD2-CD1 3.54Å; L40-I172 HydrophobicContact CD2-CG1 4.34Å; L40-I172 HydrophobicContact CD2-CG2 3.99Å; L40-I172 HydrophobicContact CG-CD1 4.16Å; E43-I172 PolarHBondContact OE2-N 2.94Å; A138-I172 HydrophobicContact CB-CG2 3.66Å; I150-I172 HydrophobicContact CD1-CD1 3.76Å; I150-I172 HydrophobicContact CD1-CG1 4.14Å; I150-I172 HydrophobicContact CG2-CG2 4.07Å; T152-I172 HydrophobicContact CG2-CG2 3.8Å; T152-I172 VanDerWaalsContact CG2-O 3.32Å; T152-I172 WeakPolarHBondContact CG2-O 3.32Å; R154-I172 PolarHBondContact NH1-O 2.87Å; V164-I172 HydrophobicContact CG1-CG1 4.3Å
173	F	92.3	Very high	91	Very high	24 Å²	24	61.2 Å²	61.2	11%	0.105	33%	0.33	C	S	.	.	S	Bend	trans	-95.6	139.2	175.1	-62.6	-76.7	0	0	0	110.6	L40 R111 R112 N136 A138	L40-F173 HydrophobicContact CD1-CE2 4.27Å; L40-F173 HydrophobicContact CD2-CD2 3.68Å; L40-F173 HydrophobicContact CD2-CE2 3.47Å; L40-F173 VanDerWaalsContact CD2-CE2 3.47Å; L40-F173 HydrophobicContact CG-CE2 4.5Å; R111-F173 HydrophobicContact CB-CD1 4.27Å; R111-F173 HydrophobicContact CB-CD2 4.22Å; R111-F173 HydrophobicContact CB-CE1 4Å; R111-F173 HydrophobicContact CB-CE2 3.92Å; R111-F173 HydrophobicContact CB-CG 4.38Å; R111-F173 HydrophobicContact CB-CZ 3.81Å; R111-F173 HydrophobicContact CG-CB 4.41Å; R111-F173 HydrophobicContact CG-CD1 4Å; R111-F173 HydrophobicContact CG-CD2 3.98Å; R111-F173 HydrophobicContact CG-CE1 4.25Å; R111-F173 HydrophobicContact CG-CE2 4.21Å; R111-F173 HydrophobicContact CG-CG 3.86Å; R111-F173 HydrophobicContact CG-CZ 4.35Å; R112-F173 WeakPolarHBondContact O-CZ 3.22Å; N136-F173 HydrophobicContact CB-CD1 4.17Å; N136-F173 HydrophobicContact CB-CE1 4.49Å; N136-F173 WeakPolarHBondContact O-CE1 3.24Å; A138-F173 HydrophobicContact CB-CE1 3.84Å; A138-F173 HydrophobicContact CB-CE2 4.25Å; A138-F173 HydrophobicContact CB-CZ 3.54Å
174	I	92	Very high	91.2	Very high	53 Å²	53	58.1 Å²	58.1	27%	0.272	32%	0.322	S	S	.	.			trans	-131.3	153.3	173.9	70.2	179.9	0	0	0	109.4	P171 Q176	P171-I174 HydrophobicContact CB-CG2 4.33Å; P171-I174 HydrophobicContact CG-CG2 3.77Å; I174-Q176 HydrophobicContact CD1-CG 4.2Å; I174-Q176 HydrophobicContact CG1-CG 3.66Å; I174-Q176 PolarHBondContact O-N 2.87Å
175	E	91.6	Very high	91.4	Very high	48 Å²	48	58.2 Å²	58.2	22%	0.224	32%	0.322	C	S	.	.			trans	-77.7	90.3	171.8	-175.2	56.7	-108.2	0	0	110.3	F177 Q178 H502 L503	E175-F177 VanDerWaalsContact C-N 3.28Å; E175-F177 PolarHBondContact O-N 3.49Å; E175-Q178 HydrophobicContact CB-CG 4.09Å; E175-Q178 HydrophobicContact CG-CB 4.48Å; E175-Q178 HydrophobicContact CG-CG 3.65Å; E175-Q178 PolarHBondContact O-N 3.31Å; E175-H502 VanDerWaalsContact CD-NE2 3.29Å; E175-H502 IonicContact OE1-CE1 3.95Å; E175-H502 IonicContact OE1-NE2 3.9Å; E175-H502 IonicContact OE2-CD2 2.71Å; E175-H502 IonicContact OE2-CE1 2.63Å; E175-H502 PolarHBondContact OE2-CE1 3.33Å; E175-H502 IonicContact OE2-NE2 2.93Å; E175-H502 PolarHBondContact OE2-NE2 3Å; E175-L503 HydrophobicContact CG-CD1 4.1Å; E175-L503 HydrophobicContact CG-CD2 4.05Å
176	Q	91.8	Very high	91.8	Very high	15 Å²	15	58.1 Å²	58.1	7%	0.07	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-67	-29.9	-171	-61.9	-179.6	69.5	0	0	112.7	Y135 C153 R154 F156 I174 Q178	Y135-Q176 PolarHBondContact O-NE2 3.26Å; C153-Q176 PolarHBondContact O-NE2 3.2Å; C153-Q176 PolarHBondContact O-OE1 3.25Å; R154-Q176 VanDerWaalsContact CA-OE1 3.32Å; F156-Q176 HydrophobicContact CD2-CB 4.2Å; F156-Q176 VanDerWaalsContact CD2-O 3.23Å; F156-Q176 WeakPolarHBondContact CD2-O 3.4Å; F156-Q176 HydrophobicContact CE2-CB 4.46Å; F156-Q176 WeakPolarHBondContact CE2-O 3.33Å; I174-Q176 HydrophobicContact CD1-CG 4.2Å; I174-Q176 HydrophobicContact CG1-CG 3.66Å; I174-Q176 PolarHBondContact O-N 2.87Å; Q176-Q178 VanDerWaalsContact C-N 3.28Å; Q176-Q178 PolarHBondContact O-N 2.7Å
177	F	94.3	Very high	92.3	Very high	9 Å²	9	57.4 Å²	57.4	4%	0.039	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-84.1	3.8	-177.3	-66.2	-86	0	0	0	114.1	Y135 Y155 F156 E175 N179 M180 V224 P499 Y500 L503	Y135-F177 HydrophobicContact CD1-CE2 4.23Å; Y135-F177 AromaticContact CD1-CZ 3.94Å; Y135-F177 HydrophobicContact CD1-CZ 3.94Å; Y135-F177 AromaticContact CD2-CE2 3.69Å; Y135-F177 HydrophobicContact CD2-CE2 3.69Å; Y135-F177 AromaticContact CD2-CZ 3.7Å; Y135-F177 HydrophobicContact CD2-CZ 3.7Å; Y135-F177 AromaticContact CE1-CZ 4Å; Y135-F177 HydrophobicContact CE1-CZ 4Å; Y135-F177 HydrophobicContact CE2-CE2 4.25Å; Y135-F177 AromaticContact CE2-CZ 3.8Å; Y135-F177 HydrophobicContact CE2-CZ 3.8Å; Y135-F177 AromaticContact CG-CE2 3.68Å; Y135-F177 HydrophobicContact CG-CE2 3.68Å; Y135-F177 AromaticContact CG-CZ 3.78Å; Y135-F177 HydrophobicContact CG-CZ 3.78Å; Y135-F177 AromaticContact CZ-CZ 3.93Å; Y155-F177 HydrophobicContact CD1-CZ 4.44Å; F156-F177 AromaticContact CE2-CD1 3.63Å; F156-F177 HydrophobicContact CE2-CD1 3.63Å; F156-F177 AromaticContact CE2-CE1 3.78Å; F156-F177 HydrophobicContact CE2-CE1 3.78Å; F156-F177 HydrophobicContact CE2-CG 4.1Å; F156-F177 HydrophobicContact CE2-CZ 4.35Å; F156-F177 AromaticContact CZ-CD1 3.66Å; F156-F177 HydrophobicContact CZ-CD1 3.66Å; F156-F177 AromaticContact CZ-CE1 3.62Å; F156-F177 HydrophobicContact CZ-CE1 3.62Å; F156-F177 HydrophobicContact CZ-CZ 4.48Å; E175-F177 VanDerWaalsContact C-N 3.28Å; E175-F177 PolarHBondContact O-N 3.49Å; F177-N179 PolarHBondContact O-N 3.2Å; F177-M180 HydrophobicContact CD1-CE 4.26Å; F177-M180 HydrophobicContact CD1-CG 4.14Å; F177-M180 HydrophobicContact CD1-SD 4.41Å; F177-V224 WeakPolarHBondContact O-CB 3.33Å; F177-P499 HydrophobicContact CD2-CB 4.23Å; F177-P499 HydrophobicContact CE1-CB 3.96Å; F177-P499 HydrophobicContact CE2-CB 3.51Å; F177-P499 HydrophobicContact CZ-CB 3.36Å; F177-P499 HydrophobicContact CZ-CG 4.1Å; F177-Y500 HydrophobicContact CB-CG 4.45Å; F177-Y500 AromaticContact CD1-CD1 3.5Å; F177-Y500 HydrophobicContact CD1-CD1 3.5Å; F177-Y500 VanDerWaalsContact CD1-CD1 3.5Å; F177-Y500 HydrophobicContact CD1-CE1 4.33Å; F177-Y500 HydrophobicContact CD1-CG 4.22Å; F177-Y500 AromaticContact CE1-CD1 3.86Å; F177-Y500 HydrophobicContact CE1-CD1 3.86Å; F177-Y500 HydrophobicContact CE1-CE1 4.45Å; F177-Y500 HydrophobicContact CG-CD1 4.08Å; F177-Y500 HydrophobicContact CG-CG 4.42Å; F177-L503 HydrophobicContact CB-CD1 3.76Å
178	Q	93.9	Very high	92.9	Very high	128 Å²	128	52.2 Å²	52.2	60%	0.598	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-64.5	-24.5	167	-83.2	175.2	18.8	0	0	112.5	E175 Q176	E175-Q178 HydrophobicContact CB-CG 4.09Å; E175-Q178 HydrophobicContact CG-CB 4.48Å; E175-Q178 HydrophobicContact CG-CG 3.65Å; E175-Q178 PolarHBondContact O-N 3.31Å; Q176-Q178 VanDerWaalsContact C-N 3.28Å; Q176-Q178 PolarHBondContact O-N 2.7Å
179	N	95.1	Very high	93.4	Very high	59 Å²	59	51 Å²	51	32%	0.316	26%	0.264	S	S	.	.			trans	-142.1	96.7	174.6	-172.7	-16	0	0	0	110.4	F177 K181 V224 N225	F177-N179 PolarHBondContact O-N 3.2Å; N179-K181 PolarHBondContact ND2-NZ 3.08Å; N179-K181 PolarHBondContact O-N 3.5Å; N179-K181 WeakPolarHBondContact OD1-CD 3.32Å; N179-K181 PolarHBondContact OD1-N 3.29Å; N179-V224 CarbonylContact C-O 3.57Å; N179-V224 WeakPolarHBondContact CA-O 3.3Å; N179-N225 WeakPolarHBondContact OD1-CB 3.35Å; N179-N225 PolarHBondContact OD1-ND2 2.81Å
180	M	95	Very high	93.8	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.02	22%	0.223	C	C	.	.			trans	-79.4	2.4	-176.5	-65.1	-178.7	71.1	0	0	114	F156 F177 G182 K183 I185 V224 N225 A226 Y500	F156-M180 WeakPolarHBondContact CD1-O 3.28Å; F156-M180 HydrophobicContact CE1-CB 4.13Å; F156-M180 WeakPolarHBondContact CE1-O 3.21Å; F156-M180 HydrophobicContact CE2-CG 4.37Å; F156-M180 HydrophobicContact CZ-CB 3.98Å; F156-M180 HydrophobicContact CZ-CG 3.91Å; F177-M180 HydrophobicContact CD1-CE 4.26Å; F177-M180 HydrophobicContact CD1-CG 4.14Å; F177-M180 HydrophobicContact CD1-SD 4.41Å; M180-G182 PolarHBondContact O-N 3.22Å; M180-G182 VanDerWaalsContact O-N 3.13Å; M180-K183 HydrophobicContact CB-CB 4.12Å; M180-K183 HydrophobicContact CE-CB 4.17Å; M180-K183 HydrophobicContact CE-CG 4.22Å; M180-K183 VanDerWaalsContact O-CB 3.24Å; M180-K183 WeakPolarHBondContact O-CB 3.43Å; M180-K183 PolarHBondContact O-N 3.28Å; M180-I185 HydrophobicContact CE-CG1 4.11Å; M180-I185 HydrophobicContact SD-CD1 4.31Å; M180-V224 HydrophobicContact CG-CB 4.31Å; M180-V224 HydrophobicContact CG-CG2 4.2Å; M180-V224 PolarHBondContact N-O 3.48Å; M180-V224 HydrophobicContact SD-CB 4.25Å; M180-V224 HydrophobicContact SD-CG2 3.59Å; M180-V224 VanDerWaalsContact SD-CG2 3.59Å; M180-N225 CarbonylContact C-O 3.59Å; M180-A226 HydrophobicContact CB-CB 4.04Å; M180-A226 HydrophobicContact CE-CB 4.37Å; M180-A226 HydrophobicContact CG-CB 4.43Å; M180-A226 HydrophobicContact SD-CB 3.71Å; M180-Y500 HydrophobicContact CE-CD1 4.15Å; M180-Y500 HydrophobicContact CE-CE1 3.69Å; M180-Y500 HydrophobicContact SD-CD1 4.44Å; M180-Y500 HydrophobicContact SD-CE1 4.39Å
181	K	94.9	Very high	93.9	Very high	138 Å²	138	42.8 Å²	42.8	60%	0.6	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	38.6	175.9	-59.1	-65.9	-176	-175.4	0	114	F156 N179 N225	F156-K181 HydrophobicContact CB-CG 4.11Å; N179-K181 PolarHBondContact ND2-NZ 3.08Å; N179-K181 PolarHBondContact O-N 3.5Å; N179-K181 WeakPolarHBondContact OD1-CD 3.32Å; N179-K181 PolarHBondContact OD1-N 3.29Å; K181-N225 PolarHBondContact N-O 2.82Å
182	G	94.1	Very high	94	Very high	29 Å²	29	41.4 Å²	41.4	30%	0.299	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	8.6	178.7	0	0	0	0	0	115	M180 A184 N225 T227	M180-G182 PolarHBondContact O-N 3.22Å; M180-G182 VanDerWaalsContact O-N 3.13Å; G182-A184 PolarHBondContact O-N 2.88Å; G182-N225 PolarHBondContact N-O 2.87Å; G182-T227 WeakPolarHBondContact O-CG2 3.49Å; G182-T227 PolarHBondContact O-OG1 3.42Å
183	K	94.3	Very high	94	Very high	103 Å²	103	42.8 Å²	42.8	45%	0.448	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-54.7	136.5	173.7	-174.2	74.6	180	-167.9	0	110.5	Y155 F156 M180 A226 T227	Y155-K183 PolarHBondContact OH-NZ 2.93Å; F156-K183 HydrophobicContact CE1-CB 4.03Å; F156-K183 HydrophobicContact CE1-CG 4.4Å; M180-K183 HydrophobicContact CB-CB 4.12Å; M180-K183 HydrophobicContact CE-CB 4.17Å; M180-K183 HydrophobicContact CE-CG 4.22Å; M180-K183 VanDerWaalsContact O-CB 3.24Å; M180-K183 WeakPolarHBondContact O-CB 3.43Å; M180-K183 PolarHBondContact O-N 3.28Å; K183-A226 WeakPolarHBondContact O-CB 3.49Å; K183-T227 PolarHBondContact O-N 3.48Å
184	A	95.8	Very high	94	Very high	36 Å²	36	41.7 Å²	41.7	30%	0.298	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	132.2	179.2	0	0	0	0	0	111.9	G182 T227 Q229	G182-A184 PolarHBondContact O-N 2.88Å; A184-T227 CarbonylContact C-O 3.56Å; A184-T227 WeakPolarHBondContact CA-O 3.34Å; A184-T227 VanDerWaalsContact CA-OG1 3.29Å; A184-T227 WeakPolarHBondContact CA-OG1 3.41Å; A184-T227 PolarHBondContact N-OG1 3.33Å; A184-Q229 HydrophobicContact CB-CB 4.09Å
185	I	96.5	Very high	94.1	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119	166.6	-57.2	176.6	0	0	0	107.2	M180 I187 F220 A226 T227 L228 Q229 D252 M253 Y500	M180-I185 HydrophobicContact CE-CG1 4.11Å; M180-I185 HydrophobicContact SD-CD1 4.31Å; I185-I187 HydrophobicContact CG2-CG2 3.96Å; I185-F220 HydrophobicContact CD1-CD1 4.34Å; I185-F220 HydrophobicContact CD1-CE1 4.21Å; I185-A226 HydrophobicContact CD1-CB 3.75Å; I185-A226 HydrophobicContact CG1-CB 4.01Å; I185-T227 PolarHBondContact N-O 3.38Å; I185-L228 HydrophobicContact CB-CD2 4.16Å; I185-Q229 PolarHBondContact O-N 2.83Å; I185-D252 HydrophobicContact CG2-CB 3.89Å; I185-M253 HydrophobicContact CG2-CG 4.48Å; I185-M253 HydrophobicContact CG2-SD 4.37Å; I185-Y500 HydrophobicContact CD1-CE2 4.26Å
186	K	96.5	Very high	94.2	Very high	92 Å²	92	38.3 Å²	38.3	40%	0.4	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	122.6	179.9	-65.7	179.5	-177.6	178.1	0	110.6	L251 D252 M253	K186-L251 HydrophobicContact CB-CB 4.48Å; K186-D252 PolarHBondContact N-OD2 3.43Å; K186-D252 PolarHBondContact O-N 2.94Å; K186-M253 PolarHBondContact O-N 3.32Å
187	I	95.9	Very high	94.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	145.5	-174.6	54.8	161.1	0	0	0	111.9	I185 M209 L228 Q229 L230 D231 M253 I255	I185-I187 HydrophobicContact CG2-CG2 3.96Å; I187-M209 HydrophobicContact CD1-CE 3.39Å; I187-M209 HydrophobicContact CD1-SD 4.24Å; I187-L228 HydrophobicContact CD1-CB 3.96Å; I187-L228 HydrophobicContact CD1-CD1 4.18Å; I187-L228 HydrophobicContact CD1-CD2 4.17Å; I187-L228 HydrophobicContact CD1-CG 4.34Å; I187-L228 HydrophobicContact CG2-CD2 4.48Å; I187-Q229 WeakPolarHBondContact CG1-O 3.1Å; I187-Q229 PolarHBondContact N-O 2.82Å; I187-L230 HydrophobicContact CD1-CD1 3.9Å; I187-L230 HydrophobicContact CD1-CG 3.87Å; I187-L230 HydrophobicContact CG1-CD1 4.5Å; I187-L230 HydrophobicContact CG1-CG 4.34Å; I187-D231 PolarHBondContact O-N 3.27Å; I187-M253 WeakPolarHBondContact CA-O 3.49Å; I187-M253 HydrophobicContact CG2-CB 4.24Å; I187-I255 HydrophobicContact CB-CD1 3.78Å; I187-I255 HydrophobicContact CB-CG1 3.97Å; I187-I255 HydrophobicContact CD1-CD1 3.42Å; I187-I255 VanDerWaalsContact CD1-CD1 3.42Å; I187-I255 HydrophobicContact CG1-CD1 4.16Å; I187-I255 HydrophobicContact CG2-CD1 4.09Å; I187-I255 HydrophobicContact CG2-CG1 4.2Å
188	V	95.8	Very high	94.3	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	117.3	171.5	-179.6	0	0	0	0	108.9	D231 L233 I242 M245 L251 I255	V188-D231 HydrophobicContact CG2-CB 3.9Å; V188-L233 HydrophobicContact CG1-CB 4.31Å; V188-I242 HydrophobicContact CB-CG2 4.45Å; V188-I242 HydrophobicContact CG1-CD1 4.1Å; V188-I242 HydrophobicContact CG1-CG1 3.96Å; V188-M245 HydrophobicContact CG2-CE 4.02Å; V188-L251 HydrophobicContact CB-CD2 3.88Å; V188-L251 HydrophobicContact CG2-CD2 3.67Å; V188-I255 PolarHBondContact O-N 3.47Å
189	P	94.9	Very high	94.3	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.013	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	148.6	178.2	33.5	-32.3	0	0	0	113.8	L191 V196 M209 D231 F232 I255	P189-L191 VanDerWaalsContact C-N 3.27Å; P189-L191 HydrophobicContact CB-CD2 4.11Å; P189-L191 HydrophobicContact CG-CD2 3.81Å; P189-L191 HydrophobicContact CG-CG 4.31Å; P189-L191 PolarHBondContact O-N 3.4Å; P189-V196 HydrophobicContact CB-CB 4.45Å; P189-V196 HydrophobicContact CB-CG1 3.62Å; P189-M209 HydrophobicContact CB-SD 4.27Å; P189-M209 HydrophobicContact CG-SD 4.31Å; P189-D231 VanDerWaalsContact CD-O 3.24Å; P189-D231 WeakPolarHBondContact CD-O 3.36Å; P189-F232 HydrophobicContact CG-CD1 4.47Å; P189-F232 HydrophobicContact CG-CE1 4.27Å; P189-I255 WeakPolarHBondContact CA-O 3.38Å; P189-I255 HydrophobicContact CB-CB 4.21Å
190	D	92.2	Very high	94.1	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.053	20%	0.202	C	C	.	.			trans	-73.7	-16.7	173.6	66.3	8.8	0	0	0	114.1	L192 I239 I242 I255 T256	D190-L192 HydrophobicContact CB-CD1 4.36Å; D190-L192 HydrophobicContact CB-CG 4.07Å; D190-L192 PolarHBondContact O-N 2.9Å; D190-L192 PolarHBondContact OD1-N 2.88Å; D190-I239 HydrophobicContact CB-CG1 4.43Å; D190-I239 HydrophobicContact CB-CG2 3.96Å; D190-I242 HydrophobicContact CB-CD1 4.02Å; D190-I255 PolarHBondContact N-O 3.02Å; D190-T256 PolarHBondContact OD2-OG1 3.24Å
191	L	92.4	Very high	93.8	Very high	81 Å²	81	41.1 Å²	41.1	42%	0.424	21%	0.208	S	C	.	.			trans	53.4	35	-175.2	-55.5	178.6	0	0	0	112.8	P189 P193 V196 V198 F232	P189-L191 VanDerWaalsContact C-N 3.27Å; P189-L191 HydrophobicContact CB-CD2 4.11Å; P189-L191 HydrophobicContact CG-CD2 3.81Å; P189-L191 HydrophobicContact CG-CG 4.31Å; P189-L191 PolarHBondContact O-N 3.4Å; L191-P193 WeakPolarHBondContact O-CD 3.34Å; L191-V196 CarbonylContact C-O 3.46Å; L191-V198 HydrophobicContact CD2-CB 4.28Å; L191-V198 HydrophobicContact CD2-CG2 3.35Å; L191-F232 HydrophobicContact CD1-CD1 4.11Å; L191-F232 HydrophobicContact CD1-CE1 4.35Å; L191-F232 HydrophobicContact CD2-CE1 4.33Å
192	L	91.7	Very high	93.3	Very high	33 Å²	33	39.3 Å²	39.3	17%	0.173	22%	0.218	C	C	.	.			trans	-94.5	110.4	176.4	-69.4	-175.3	0	0	0	111.2	D190 R195 V196 I239 W438 L442	D190-L192 HydrophobicContact CB-CD1 4.36Å; D190-L192 HydrophobicContact CB-CG 4.07Å; D190-L192 PolarHBondContact O-N 2.9Å; D190-L192 PolarHBondContact OD1-N 2.88Å; L192-R195 WeakPolarHBondContact O-CA 3.35Å; L192-R195 WeakPolarHBondContact O-CB 3.48Å; L192-R195 WeakPolarHBondContact O-CG 3.49Å; L192-R195 PolarHBondContact O-N 2.89Å; L192-V196 CarbonylContact C-O 3.47Å; L192-V196 PolarHBondContact N-O 3.42Å; L192-V196 PolarHBondContact O-N 3.04Å; L192-V196 VanDerWaalsContact O-N 3.16Å; L192-I239 HydrophobicContact CD1-CD1 3.64Å; L192-I239 HydrophobicContact CD2-CD1 4.03Å; L192-I239 HydrophobicContact CG-CD1 3.98Å; L192-W438 HydrophobicContact CD2-CZ3 3.97Å; L192-L442 HydrophobicContact CD2-CD1 3.61Å
193	P	92.4	Very high	93	Very high	31 Å²	31	45.1 Å²	45.1	20%	0.201	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	143.1	172	-18.1	33.8	0	0	0	110.7	L191 M197 R460 M528 L533	L191-P193 WeakPolarHBondContact O-CD 3.34Å; P193-M197 HydrophobicContact CB-CG 3.92Å; P193-M197 HydrophobicContact CB-SD 3.98Å; P193-M197 HydrophobicContact CG-CG 4.01Å; P193-R460 PolarHBondContact O-NH1 3.29Å; P193-M528 HydrophobicContact CB-CE 3.69Å; P193-M528 HydrophobicContact CB-CG 3.95Å; P193-M528 HydrophobicContact CB-SD 3.96Å; P193-L533 HydrophobicContact CB-CD1 4.33Å; P193-L533 HydrophobicContact CG-CD1 3.85Å
194	P	93.1	Very high	92.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.3	11.3	3.5	37.5	-36.6	0	0	0	114	G211 Y212 S463 M528	P194-G211 WeakPolarHBondContact O-CA 3.2Å; P194-Y212 HydrophobicContact CG-CD1 4.39Å; P194-Y212 HydrophobicContact CG-CE1 4.02Å; P194-Y212 WeakPolarHBondContact O-CD1 3.36Å; P194-S463 WeakPolarHBondContact CG-OG 3.34Å; P194-M528 HydrophobicContact CB-CG 4.25Å; P194-M528 HydrophobicContact CB-SD 3.67Å; P194-M528 HydrophobicContact CG-SD 4.49Å
195	R	93.5	Very high	92.2	Very high	30 Å²	30	44 Å²	44	11%	0.113	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-54.6	-170.6	-45.3	-167.4	164.1	164.6	-7.6	111.6	L192 G211 Y212 V213 A214 D459	L192-R195 WeakPolarHBondContact O-CA 3.35Å; L192-R195 WeakPolarHBondContact O-CB 3.48Å; L192-R195 WeakPolarHBondContact O-CG 3.49Å; L192-R195 PolarHBondContact O-N 2.89Å; R195-G211 CarbonylContact O-C 3.58Å; R195-G211 VanDerWaalsContact O-C 3.3Å; R195-G211 WeakPolarHBondContact O-CA 3.21Å; R195-Y212 HydrophobicContact CB-CE1 4.01Å; R195-Y212 HydrophobicContact CG-CE1 3.76Å; R195-Y212 WeakPolarHBondContact CG-OH 3.14Å; R195-Y212 PolarHBondContact NE-OH 3.43Å; R195-Y212 PolarHBondContact O-N 2.92Å; R195-V213 HydrophobicContact CB-CB 4.45Å; R195-V213 HydrophobicContact CB-CG2 3.82Å; R195-V213 PolarHBondContact O-N 2.67Å; R195-A214 PolarHBondContact O-N 3.14Å; R195-D459 IonicContact CZ-OD2 3.28Å; R195-D459 IonicContact NE-OD2 3.48Å; R195-D459 PolarHBondContact NE-OD2 2.83Å; R195-D459 IonicContact NH2-OD1 3.95Å; R195-D459 IonicContact NH2-OD2 3.25Å; R195-D459 PolarHBondContact NH2-OD2 3.12Å
196	V	94.6	Very high	91.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.272	C	S	.	.			trans	-141.8	125.1	-178.5	-172.6	0	0	0	0	108.5	P189 L191 L192 M209 V213 A214 I255	P189-V196 HydrophobicContact CB-CB 4.45Å; P189-V196 HydrophobicContact CB-CG1 3.62Å; L191-V196 CarbonylContact C-O 3.46Å; L192-V196 CarbonylContact C-O 3.47Å; L192-V196 PolarHBondContact N-O 3.42Å; L192-V196 PolarHBondContact O-N 3.04Å; L192-V196 VanDerWaalsContact O-N 3.16Å; V196-M209 HydrophobicContact CG1-SD 4.12Å; V196-V213 HydrophobicContact CG2-CB 3.95Å; V196-V213 HydrophobicContact CG2-CG1 4.35Å; V196-A214 HydrophobicContact CG1-CB 4.27Å; V196-I255 HydrophobicContact CG2-CB 4.47Å; V196-I255 HydrophobicContact CG2-CG2 3.43Å; V196-I255 VanDerWaalsContact CG2-CG2 3.43Å
197	M	94.8	Very high	91.5	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.025	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.1	176.2	-63.9	164.6	-76	0	0	107.3	P193 M209 I210 D527 M528 L531 L533	P193-M197 HydrophobicContact CB-CG 3.92Å; P193-M197 HydrophobicContact CB-SD 3.98Å; P193-M197 HydrophobicContact CG-CG 4.01Å; M197-M209 CarbonylContact O-C 3.59Å; M197-M209 VanDerWaalsContact O-CA 3.23Å; M197-M209 WeakPolarHBondContact O-CA 3.41Å; M197-I210 HydrophobicContact CB-CG2 3.96Å; M197-I210 HydrophobicContact CE-CG2 4.31Å; M197-I210 PolarHBondContact N-O 3.49Å; M197-I210 PolarHBondContact O-N 3.43Å; M197-D527 HydrophobicContact CE-CB 3.96Å; M197-M528 HydrophobicContact CE-CG 4.25Å; M197-M528 HydrophobicContact SD-CB 4.28Å; M197-M528 HydrophobicContact SD-CG 3.49Å; M197-M528 WeakPolarHBondContact SD-CG 3.21Å; M197-L531 HydrophobicContact CB-CD1 3.67Å; M197-L531 HydrophobicContact CG-CD1 4.42Å; M197-L531 HydrophobicContact SD-CD1 4.18Å; M197-L533 HydrophobicContact CB-CD1 4.27Å; M197-L533 HydrophobicContact CG-CD1 3.71Å; M197-L533 HydrophobicContact SD-CD1 3.7Å
198	V	93.7	Very high	91.3	Very high	44 Å²	44	52.6 Å²	52.6	27%	0.267	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.7	178.3	175.1	0	0	0	0	108.8	L191 L207 K208 M209 F232	L191-V198 HydrophobicContact CD2-CB 4.28Å; L191-V198 HydrophobicContact CD2-CG2 3.35Å; V198-L207 HydrophobicContact CG1-CD1 3.3Å; V198-L207 HydrophobicContact CG1-CD2 3.91Å; V198-L207 HydrophobicContact CG1-CG 3.43Å; V198-L207 VanDerWaalsContact CG1-CG 3.43Å; V198-K208 WeakPolarHBondContact CA-O 3.49Å; V198-M209 HydrophobicContact CG2-CG 4.06Å; V198-F232 HydrophobicContact CG2-CE1 4.24Å
199	Y	92.8	Very high	91.3	Very high	57 Å²	57	53.3 Å²	53.3	22%	0.224	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	155.5	175.5	73.9	-75.8	0	0	0	110.1	D201 K208 I210 L531	Y199-D201 HydrophobicContact CE2-CB 3.99Å; Y199-K208 HydrophobicContact CD1-CB 4.29Å; Y199-K208 WeakPolarHBondContact CD1-O 3.44Å; Y199-K208 HydrophobicContact CE1-CB 3.67Å; Y199-K208 HydrophobicContact CE2-CB 4.46Å; Y199-K208 PolarHBondContact N-O 2.85Å; Y199-K208 PolarHBondContact O-N 2.89Å; Y199-K208 VanDerWaalsContact O-O 3.1Å; Y199-I210 HydrophobicContact CD1-CB 4.06Å; Y199-I210 HydrophobicContact CD1-CG2 3.73Å; Y199-I210 HydrophobicContact CE1-CB 3.78Å; Y199-I210 HydrophobicContact CE1-CG2 3.99Å; Y199-L531 VanDerWaalsContact CB-CD2 3.49Å; Y199-L531 HydrophobicContact CG-CD2 4.12Å
200	Q	92.1	Very high	91.3	Very high	144 Å²	144	54.2 Å²	54.2	67%	0.673	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	123	171	-165.7	170.7	15.6	0	0	108.1	G205	Q200-G205 VanDerWaalsContact CG-O 3.3Å; Q200-G205 WeakPolarHBondContact CG-O 3.38Å; Q200-G205 PolarHBondContact NE2-O 3.1Å
201	D	88.1	Confident	91.4	Very high	25 Å²	25	53.8 Å²	53.8	13%	0.134	29%	0.293	C	S	.	.			trans	-72.9	135.8	178.9	179.2	24.7	0	0	0	110.4	Y199 N203 D204 G205 E206 K208	Y199-D201 HydrophobicContact CE2-CB 3.99Å; D201-N203 VanDerWaalsContact C-N 3.25Å; D201-N203 PolarHBondContact O-N 3.06Å; D201-N203 PolarHBondContact OD1-N 2.95Å; D201-D204 WeakPolarHBondContact CB-OD1 3.39Å; D201-G205 WeakPolarHBondContact O-CA 3.48Å; D201-G205 PolarHBondContact O-N 2.96Å; D201-E206 PolarHBondContact N-O 2.65Å; D201-K208 HydrophobicContact CB-CD 3.83Å; D201-K208 HydrophobicContact CB-CG 4.3Å; D201-K208 IonicContact OD2-NZ 2.64Å; D201-K208 PolarHBondContact OD2-NZ 2.83Å
202	A	84.6	Confident	91.5	Very high	99 Å²	99	49.9 Å²	49.9	82%	0.818	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-21.1	-172.5	0	0	0	0	0	112.4
203	N	87.9	Confident	91.6	Very high	152 Å²	152	48.3 Å²	48.3	81%	0.813	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-47	-175.6	-64.2	-38.4	0	0	0	112.9	D201	D201-N203 VanDerWaalsContact C-N 3.25Å; D201-N203 PolarHBondContact O-N 3.06Å; D201-N203 PolarHBondContact OD1-N 2.95Å
204	D	86.2	Confident	91.8	Very high	80 Å²	80	46.9 Å²	46.9	43%	0.428	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-12.3	-175.6	56.3	14.9	0	0	0	113.3	D201 E206 K208	D201-D204 WeakPolarHBondContact CB-OD1 3.39Å; D204-E206 HydrophobicContact CB-CG 4.23Å; D204-E206 PolarHBondContact O-N 3.39Å; D204-E206 PolarHBondContact OD1-N 3.32Å; D204-K208 IonicContact OD1-NZ 3.89Å; D204-K208 WeakPolarHBondContact OD2-CE 3.25Å; D204-K208 IonicContact OD2-NZ 3.71Å; D204-K208 PolarHBondContact OD2-NZ 2.85Å
205	G	85.8	Confident	91.9	Very high	36 Å²	36	48.4 Å²	48.4	37%	0.371	26%	0.264	S	S	.	.			trans	73.5	3.8	-177.1	0	0	0	0	0	113.8	Q200 D201	Q200-G205 VanDerWaalsContact CG-O 3.3Å; Q200-G205 WeakPolarHBondContact CG-O 3.38Å; Q200-G205 PolarHBondContact NE2-O 3.1Å; D201-G205 WeakPolarHBondContact O-CA 3.48Å; D201-G205 PolarHBondContact O-N 2.96Å
206	E	88.6	Confident	92.1	Very high	124 Å²	124	47 Å²	47	58%	0.579	26%	0.258	S	S	*	.			trans	-80	149.7	-176	-71.2	-65.3	153.3	0	0	111.4	D201 D204 K208	D201-E206 PolarHBondContact N-O 2.65Å; D204-E206 HydrophobicContact CB-CG 4.23Å; D204-E206 PolarHBondContact O-N 3.39Å; D204-E206 PolarHBondContact OD1-N 3.32Å; E206-K208 PolarHBondContact O-N 2.68Å
207	L	90.8	Very high	92.1	Very high	82 Å²	82	47.1 Å²	47.1	43%	0.429	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	109.9	178.7	-163.9	70.7	0	0	0	109.6	V198 F232	V198-L207 HydrophobicContact CG1-CD1 3.3Å; V198-L207 HydrophobicContact CG1-CD2 3.91Å; V198-L207 HydrophobicContact CG1-CG 3.43Å; V198-L207 VanDerWaalsContact CG1-CG 3.43Å; L207-F232 HydrophobicContact CD2-CE2 3.86Å; L207-F232 HydrophobicContact CD2-CZ 3.57Å
208	K	92.2	Very high	92.2	Very high	68 Å²	68	48.6 Å²	48.6	30%	0.296	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	159.1	-178.9	-65.9	-172.2	-172.5	167.7	0	111.6	V198 Y199 D201 D204 E206	V198-K208 WeakPolarHBondContact CA-O 3.49Å; Y199-K208 HydrophobicContact CD1-CB 4.29Å; Y199-K208 WeakPolarHBondContact CD1-O 3.44Å; Y199-K208 HydrophobicContact CE1-CB 3.67Å; Y199-K208 HydrophobicContact CE2-CB 4.46Å; Y199-K208 PolarHBondContact N-O 2.85Å; Y199-K208 PolarHBondContact O-N 2.89Å; Y199-K208 VanDerWaalsContact O-O 3.1Å; D201-K208 HydrophobicContact CB-CD 3.83Å; D201-K208 HydrophobicContact CB-CG 4.3Å; D201-K208 IonicContact OD2-NZ 2.64Å; D201-K208 PolarHBondContact OD2-NZ 2.83Å; D204-K208 IonicContact OD1-NZ 3.89Å; D204-K208 WeakPolarHBondContact OD2-CE 3.25Å; D204-K208 IonicContact OD2-NZ 3.71Å; D204-K208 PolarHBondContact OD2-NZ 2.85Å; E206-K208 PolarHBondContact O-N 2.68Å
209	M	94.4	Very high	92.3	Very high	16 Å²	16	48.8 Å²	48.8	8%	0.079	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	149.5	173.6	-58.5	-178.9	-67.8	0	0	110.5	I187 P189 V196 M197 V198 A214 L228 L230 I255	I187-M209 HydrophobicContact CD1-CE 3.39Å; I187-M209 HydrophobicContact CD1-SD 4.24Å; P189-M209 HydrophobicContact CB-SD 4.27Å; P189-M209 HydrophobicContact CG-SD 4.31Å; V196-M209 HydrophobicContact CG1-SD 4.12Å; M197-M209 CarbonylContact O-C 3.59Å; M197-M209 VanDerWaalsContact O-CA 3.23Å; M197-M209 WeakPolarHBondContact O-CA 3.41Å; V198-M209 HydrophobicContact CG2-CG 4.06Å; M209-A214 HydrophobicContact CB-CB 3.71Å; M209-L228 HydrophobicContact CE-CD1 4.06Å; M209-L230 HydrophobicContact CE-CD1 4.45Å; M209-L230 HydrophobicContact CE-CD2 4.31Å; M209-L230 HydrophobicContact CE-CG 4.37Å; M209-L230 HydrophobicContact CG-CD2 3.84Å; M209-L230 HydrophobicContact SD-CD2 3.92Å; M209-L230 HydrophobicContact SD-CG 4.35Å; M209-I255 HydrophobicContact CE-CD1 3.72Å; M209-I255 HydrophobicContact SD-CD1 3.98Å
210	I	94.8	Very high	92.5	Very high	22 Å²	22	46.1 Å²	46.1	11%	0.113	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.6	174.3	-167.1	165.5	0	0	0	110	M197 Y199 D527 L531	M197-I210 HydrophobicContact CB-CG2 3.96Å; M197-I210 HydrophobicContact CE-CG2 4.31Å; M197-I210 PolarHBondContact N-O 3.49Å; M197-I210 PolarHBondContact O-N 3.43Å; Y199-I210 HydrophobicContact CD1-CB 4.06Å; Y199-I210 HydrophobicContact CD1-CG2 3.73Å; Y199-I210 HydrophobicContact CE1-CB 3.78Å; Y199-I210 HydrophobicContact CE1-CG2 3.99Å; I210-D527 HydrophobicContact CD1-CB 4.16Å; I210-D527 WeakPolarHBondContact CD1-OD1 3.47Å; I210-D527 HydrophobicContact CG1-CB 4.38Å; I210-L531 HydrophobicContact CG2-CD1 3.7Å
211	G	94.5	Very high	92.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	120.3	165.4	-173.6	0	0	0	0	0	110.9	P194 R195 V213 A214 N215	P194-G211 WeakPolarHBondContact O-CA 3.2Å; R195-G211 CarbonylContact O-C 3.58Å; R195-G211 VanDerWaalsContact O-C 3.3Å; R195-G211 WeakPolarHBondContact O-CA 3.21Å; G211-V213 VanDerWaalsContact C-N 3.33Å; G211-V213 PolarHBondContact O-N 3.11Å; G211-A214 PolarHBondContact O-N 3.36Å; G211-N215 WeakPolarHBondContact O-CB 3.1Å; G211-N215 PolarHBondContact O-N 3.43Å; G211-N215 PolarHBondContact O-ND2 2.95Å; G211-N215 PolarHBondContact O-OD1 3.2Å
212	Y	94.3	Very high	93.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-32.6	-169.1	70.3	-96.9	0	0	0	113.7	P194 R195 L216 L257 Y273 L274 D459 S524	P194-Y212 HydrophobicContact CG-CD1 4.39Å; P194-Y212 HydrophobicContact CG-CE1 4.02Å; P194-Y212 WeakPolarHBondContact O-CD1 3.36Å; R195-Y212 HydrophobicContact CB-CE1 4.01Å; R195-Y212 HydrophobicContact CG-CE1 3.76Å; R195-Y212 WeakPolarHBondContact CG-OH 3.14Å; R195-Y212 PolarHBondContact NE-OH 3.43Å; R195-Y212 PolarHBondContact O-N 2.92Å; Y212-L216 PolarHBondContact O-N 3.03Å; Y212-L257 HydrophobicContact CE2-CD1 3.93Å; Y212-L257 VanDerWaalsContact OH-CD1 3.32Å; Y212-L257 WeakPolarHBondContact OH-CD1 3.35Å; Y212-Y273 AromaticContact CD2-CE1 3.75Å; Y212-Y273 HydrophobicContact CD2-CE1 3.75Å; Y212-Y273 AromaticContact CE2-CE1 3.88Å; Y212-Y273 HydrophobicContact CE2-CE1 3.88Å; Y212-Y273 PolarHBondContact O-OH 2.84Å; Y212-Y273 VanDerWaalsContact O-OH 3.13Å; Y212-L274 HydrophobicContact CD2-CD1 4.36Å; Y212-L274 HydrophobicContact CE2-CD1 3.49Å; Y212-L274 VanDerWaalsContact CE2-CD1 3.49Å; Y212-D459 PolarHBondContact OH-OD2 3.09Å; Y212-S524 PolarHBondContact N-OG 2.86Å
213	V	95.6	Very high	93.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-79.4	-39.1	173.9	-172.4	0	0	0	0	110.5	R195 V196 G211 N215 L216 I217 I255 L257 Y273 I492	R195-V213 HydrophobicContact CB-CB 4.45Å; R195-V213 HydrophobicContact CB-CG2 3.82Å; R195-V213 PolarHBondContact O-N 2.67Å; V196-V213 HydrophobicContact CG2-CB 3.95Å; V196-V213 HydrophobicContact CG2-CG1 4.35Å; G211-V213 VanDerWaalsContact C-N 3.33Å; G211-V213 PolarHBondContact O-N 3.11Å; V213-N215 VanDerWaalsContact C-N 3.32Å; V213-N215 PolarHBondContact O-N 2.98Å; V213-L216 WeakPolarHBondContact O-CB 3.48Å; V213-L216 PolarHBondContact O-N 3.29Å; V213-I217 WeakPolarHBondContact O-CG1 3.32Å; V213-I217 PolarHBondContact O-N 2.79Å; V213-I255 HydrophobicContact CB-CG2 4.44Å; V213-I255 HydrophobicContact CG1-CG2 3.64Å; V213-L257 HydrophobicContact CG2-CD1 3.9Å; V213-L257 HydrophobicContact CG2-CD2 4.16Å; V213-L257 HydrophobicContact CG2-CG 4.02Å; V213-Y273 HydrophobicContact CG2-CE1 4.13Å; V213-I492 HydrophobicContact CG1-CD1 4.38Å
214	A	95.8	Very high	94.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-42.3	176.7	0	0	0	0	0	112.4	R195 V196 M209 G211 L216 I217 T218	R195-A214 PolarHBondContact O-N 3.14Å; V196-A214 HydrophobicContact CG1-CB 4.27Å; M209-A214 HydrophobicContact CB-CB 3.71Å; G211-A214 PolarHBondContact O-N 3.36Å; A214-L216 VanDerWaalsContact C-N 3.34Å; A214-L216 PolarHBondContact O-N 3.37Å; A214-I217 PolarHBondContact O-N 2.92Å; A214-T218 WeakPolarHBondContact O-CB 3.42Å; A214-T218 PolarHBondContact O-N 3.28Å; A214-T218 PolarHBondContact O-OG1 2.98Å
215	N	95.8	Very high	94.7	Very high	33 Å²	33	37.6 Å²	37.6	18%	0.176	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-38	178.9	-69.6	-7.9	0	0	0	111.7	G211 V213 I217 N219 W520	G211-N215 WeakPolarHBondContact O-CB 3.1Å; G211-N215 PolarHBondContact O-N 3.43Å; G211-N215 PolarHBondContact O-ND2 2.95Å; G211-N215 PolarHBondContact O-OD1 3.2Å; V213-N215 VanDerWaalsContact C-N 3.32Å; V213-N215 PolarHBondContact O-N 2.98Å; N215-I217 PolarHBondContact O-N 3.33Å; N215-N219 VanDerWaalsContact O-CB 3.24Å; N215-N219 WeakPolarHBondContact O-CB 3.23Å; N215-N219 PolarHBondContact O-N 3.37Å; N215-N219 PolarHBondContact O-ND2 3.33Å; N215-W520 HydrophobicContact CB-CD2 3.59Å; N215-W520 HydrophobicContact CB-CE3 3.66Å; N215-W520 HydrophobicContact CB-CG 4.15Å; N215-W520 HydrophobicContact CB-CH2 4.11Å; N215-W520 HydrophobicContact CB-CZ2 4.05Å; N215-W520 HydrophobicContact CB-CZ3 3.92Å; N215-W520 VanDerWaalsContact ND2-CD1 3.35Å
216	L	96.2	Very high	95.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56.3	-51.4	173.7	170.4	71.9	0	0	0	111.3	Y212 V213 A214 F220 Y273 I492 F504 H507 M508 Q511 W520	Y212-L216 PolarHBondContact O-N 3.03Å; V213-L216 WeakPolarHBondContact O-CB 3.48Å; V213-L216 PolarHBondContact O-N 3.29Å; A214-L216 VanDerWaalsContact C-N 3.34Å; A214-L216 PolarHBondContact O-N 3.37Å; L216-F220 PolarHBondContact O-N 3.19Å; L216-Y273 HydrophobicContact CD1-CE2 4.21Å; L216-Y273 HydrophobicContact CD2-CD2 3.89Å; L216-Y273 HydrophobicContact CD2-CE1 4.35Å; L216-Y273 HydrophobicContact CD2-CE2 3.68Å; L216-Y273 HydrophobicContact CD2-CG 4.33Å; L216-Y273 HydrophobicContact CG-CE2 4.35Å; L216-I492 HydrophobicContact CD2-CD1 3.47Å; L216-I492 VanDerWaalsContact CD2-CD1 3.47Å; L216-F504 HydrophobicContact CD2-CZ 4.19Å; L216-F504 HydrophobicContact CG-CE2 4.47Å; L216-H507 PolarHBondContact O-NE2 3.46Å; L216-H507 VanDerWaalsContact O-NE2 3.08Å; L216-M508 HydrophobicContact CD1-CB 4.48Å; L216-M508 HydrophobicContact CD1-CG 3.78Å; L216-M508 HydrophobicContact CD2-CG 3.89Å; L216-M508 HydrophobicContact CD2-SD 4.39Å; L216-M508 HydrophobicContact CG-CG 4.34Å; L216-Q511 HydrophobicContact CD1-CB 4.43Å; L216-Q511 HydrophobicContact CD1-CG 4.11Å; L216-W520 HydrophobicContact CB-CZ3 4.31Å
217	I	96.4	Very high	95.6	Very high	2 Å²	2	34 Å²	34	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-68.5	-44.2	-177.2	-58.3	-60.8	0	0	0	111.3	V213 A214 N215 N219 F220 A221 L228 M253 I255 I492 F504	V213-I217 WeakPolarHBondContact O-CG1 3.32Å; V213-I217 PolarHBondContact O-N 2.79Å; A214-I217 PolarHBondContact O-N 2.92Å; N215-I217 PolarHBondContact O-N 3.33Å; I217-N219 VanDerWaalsContact C-N 3.35Å; I217-N219 PolarHBondContact O-N 2.91Å; I217-F220 WeakPolarHBondContact O-CB 3.41Å; I217-F220 PolarHBondContact O-N 2.92Å; I217-A221 PolarHBondContact O-N 3.25Å; I217-L228 HydrophobicContact CG2-CD1 4.2Å; I217-L228 HydrophobicContact CG2-CD2 3.94Å; I217-M253 HydrophobicContact CD1-SD 4.27Å; I217-I255 HydrophobicContact CB-CD1 4.24Å; I217-I255 HydrophobicContact CG1-CD1 4.02Å; I217-I255 HydrophobicContact CG1-CG1 4.14Å; I217-I255 HydrophobicContact CG1-CG2 4.13Å; I217-I255 HydrophobicContact CG2-CD1 3.94Å; I217-I492 HydrophobicContact CD1-CD1 4.31Å; I217-F504 HydrophobicContact CD1-CE2 3.66Å; I217-F504 HydrophobicContact CD1-CZ 3.53Å
218	T	95.7	Very high	95.8	Very high	36 Å²	36	32.3 Å²	32.3	22%	0.221	17%	0.166	C	C	.	.	H	α-helix	trans	-62	-44.5	-179.7	-54.5	0	0	0	0	110.9	A214 F220 A221 Q222	A214-T218 WeakPolarHBondContact O-CB 3.42Å; A214-T218 PolarHBondContact O-N 3.28Å; A214-T218 PolarHBondContact O-OG1 2.98Å; T218-F220 VanDerWaalsContact C-N 3.32Å; T218-F220 PolarHBondContact O-N 3.28Å; T218-A221 PolarHBondContact O-N 3.35Å; T218-Q222 WeakPolarHBondContact O-CG 3.47Å; T218-Q222 PolarHBondContact O-N 3.24Å
219	N	96.5	Very high	95.9	Very high	49 Å²	49	33 Å²	33	26%	0.262	17%	0.171	S	C	.	.	H	α-helix	trans	-68.4	-32	177	-70.1	-18.7	0	0	0	112.3	N215 I217 K223 W520	N215-N219 VanDerWaalsContact O-CB 3.24Å; N215-N219 WeakPolarHBondContact O-CB 3.23Å; N215-N219 PolarHBondContact O-N 3.37Å; N215-N219 PolarHBondContact O-ND2 3.33Å; I217-N219 VanDerWaalsContact C-N 3.35Å; I217-N219 PolarHBondContact O-N 2.91Å; N219-K223 WeakPolarHBondContact O-CB 3.41Å; N219-K223 PolarHBondContact O-N 2.68Å; N219-W520 WeakPolarHBondContact ND2-CH2 3.43Å; N219-W520 WeakPolarHBondContact ND2-CZ2 3.45Å
220	F	97.4	Very high	95.9	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-63.9	-50.7	173.1	179.8	-109.8	0	0	0	111	I185 L216 I217 T218 Q222 K223 V224 M253 Y500 L503 F504 H507	I185-F220 HydrophobicContact CD1-CD1 4.34Å; I185-F220 HydrophobicContact CD1-CE1 4.21Å; L216-F220 PolarHBondContact O-N 3.19Å; I217-F220 WeakPolarHBondContact O-CB 3.41Å; I217-F220 PolarHBondContact O-N 2.92Å; T218-F220 VanDerWaalsContact C-N 3.32Å; T218-F220 PolarHBondContact O-N 3.28Å; F220-Q222 VanDerWaalsContact C-N 3.28Å; F220-Q222 PolarHBondContact O-N 3.28Å; F220-K223 WeakPolarHBondContact O-CB 3.47Å; F220-K223 PolarHBondContact O-N 3.39Å; F220-V224 HydrophobicContact CD2-CG1 4.38Å; F220-V224 HydrophobicContact CE1-CG2 4.16Å; F220-V224 HydrophobicContact CE2-CG1 3.78Å; F220-V224 HydrophobicContact CZ-CG1 3.87Å; F220-V224 HydrophobicContact CZ-CG2 4.28Å; F220-V224 WeakPolarHBondContact O-CG2 3.5Å; F220-V224 PolarHBondContact O-N 2.84Å; F220-M253 HydrophobicContact CD1-CE 4.41Å; F220-M253 HydrophobicContact CE1-CE 4.04Å; F220-Y500 AromaticContact CE1-CD2 3.74Å; F220-Y500 HydrophobicContact CE1-CD2 3.74Å; F220-Y500 AromaticContact CE1-CE2 3.82Å; F220-Y500 HydrophobicContact CE1-CE2 3.82Å; F220-Y500 AromaticContact CZ-CD2 3.75Å; F220-Y500 HydrophobicContact CZ-CD2 3.75Å; F220-Y500 HydrophobicContact CZ-CE2 4.31Å; F220-L503 HydrophobicContact CE2-CB 4.07Å; F220-L503 HydrophobicContact CZ-CB 4.27Å; F220-F504 HydrophobicContact CB-CD2 4.2Å; F220-F504 HydrophobicContact CB-CE2 4.31Å; F220-F504 AromaticContact CD1-CD2 3.72Å; F220-F504 HydrophobicContact CD1-CD2 3.72Å; F220-F504 HydrophobicContact CD1-CE2 4.34Å; F220-F504 AromaticContact CD2-CD2 3.88Å; F220-F504 HydrophobicContact CD2-CD2 3.88Å; F220-F504 HydrophobicContact CE1-CB 4.3Å; F220-F504 HydrophobicContact CE1-CD2 4.04Å; F220-F504 HydrophobicContact CE2-CB 4.03Å; F220-F504 HydrophobicContact CE2-CD2 4.19Å; F220-F504 AromaticContact CG-CD2 3.64Å; F220-F504 HydrophobicContact CG-CD2 3.64Å; F220-F504 HydrophobicContact CG-CE2 4.21Å; F220-F504 HydrophobicContact CZ-CB 3.9Å; F220-F504 HydrophobicContact CZ-CD2 4.26Å; F220-H507 HydrophobicContact CD2-CB 3.82Å; F220-H507 AromaticContact CD2-CD2 3.93Å; F220-H507 AromaticContact CD2-CG 3.84Å; F220-H507 HydrophobicContact CE2-CB 4.36Å; F220-H507 PolarHBondContact N-NE2 3.23Å
221	A	97.4	Very high	95.7	Very high	4 Å²	4	37 Å²	37	3%	0.033	19%	0.192	C	C	.	.	H	α-helix	trans	-57.9	-41.3	178.9	0	0	0	0	0	112.1	I217 T218 V224 N225 A226 L228	I217-A221 PolarHBondContact O-N 3.25Å; T218-A221 PolarHBondContact O-N 3.35Å; A221-V224 PolarHBondContact O-N 3.34Å; A221-N225 PolarHBondContact O-N 3.12Å; A221-N225 VanDerWaalsContact O-N 3.11Å; A221-A226 HydrophobicContact CB-CB 4.48Å; A221-A226 PolarHBondContact O-N 3.5Å; A221-L228 HydrophobicContact CB-CD1 4.29Å; A221-L228 HydrophobicContact CB-CD2 3.67Å; A221-L228 HydrophobicContact CB-CG 3.8Å
222	Q	96.4	Very high	95.5	Very high	138 Å²	138	41.9 Å²	41.9	65%	0.645	21%	0.214	S	C	*	.	H	α-helix	trans	-62.8	-45.5	173.5	-71.3	176.4	-3	0	0	112.3	T218 F220 V224 N225	T218-Q222 WeakPolarHBondContact O-CG 3.47Å; T218-Q222 PolarHBondContact O-N 3.24Å; F220-Q222 VanDerWaalsContact C-N 3.28Å; F220-Q222 PolarHBondContact O-N 3.28Å; Q222-V224 VanDerWaalsContact C-N 3.29Å; Q222-V224 PolarHBondContact O-N 3.16Å; Q222-N225 PolarHBondContact O-N 2.98Å
223	K	96.7	Very high	95.2	Very high	95 Å²	95	43.5 Å²	43.5	41%	0.413	22%	0.222	S	C	.	.	H	α-helix	trans	-57.8	-40.5	179.3	178.9	-173.5	174.5	-168.4	0	112.3	N219 F220	N219-K223 WeakPolarHBondContact O-CB 3.41Å; N219-K223 PolarHBondContact O-N 2.68Å; F220-K223 WeakPolarHBondContact O-CB 3.47Å; F220-K223 PolarHBondContact O-N 3.39Å
224	V	96.8	Very high	94.7	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.024	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	9.1	-178.3	-57.4	0	0	0	0	113.7	F177 N179 M180 F220 A221 Q222 A226	F177-V224 WeakPolarHBondContact O-CB 3.33Å; N179-V224 CarbonylContact C-O 3.57Å; N179-V224 WeakPolarHBondContact CA-O 3.3Å; M180-V224 HydrophobicContact CG-CB 4.31Å; M180-V224 HydrophobicContact CG-CG2 4.2Å; M180-V224 PolarHBondContact N-O 3.48Å; M180-V224 HydrophobicContact SD-CB 4.25Å; M180-V224 HydrophobicContact SD-CG2 3.59Å; M180-V224 VanDerWaalsContact SD-CG2 3.59Å; F220-V224 HydrophobicContact CD2-CG1 4.38Å; F220-V224 HydrophobicContact CE1-CG2 4.16Å; F220-V224 HydrophobicContact CE2-CG1 3.78Å; F220-V224 HydrophobicContact CZ-CG1 3.87Å; F220-V224 HydrophobicContact CZ-CG2 4.28Å; F220-V224 WeakPolarHBondContact O-CG2 3.5Å; F220-V224 PolarHBondContact O-N 2.84Å; A221-V224 PolarHBondContact O-N 3.34Å; Q222-V224 VanDerWaalsContact C-N 3.29Å; Q222-V224 PolarHBondContact O-N 3.16Å; V224-A226 HydrophobicContact CG2-CB 3.79Å; V224-A226 PolarHBondContact O-N 2.76Å
225	N	97.3	Very high	93.8	Very high	80 Å²	80	55.1 Å²	55.1	43%	0.428	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	52.9	-176.2	-172.3	33.2	0	0	0	112.6	N179 M180 K181 G182 A221 Q222	N179-N225 WeakPolarHBondContact OD1-CB 3.35Å; N179-N225 PolarHBondContact OD1-ND2 2.81Å; M180-N225 CarbonylContact C-O 3.59Å; K181-N225 PolarHBondContact N-O 2.82Å; G182-N225 PolarHBondContact N-O 2.87Å; A221-N225 PolarHBondContact O-N 3.12Å; A221-N225 VanDerWaalsContact O-N 3.11Å; Q222-N225 PolarHBondContact O-N 2.98Å
226	A	97	Very high	92.8	Very high	15 Å²	15	58.8 Å²	58.8	12%	0.124	31%	0.311	C	S	.	.			trans	-113.7	161.4	176.7	0	0	0	0	0	111.5	M180 K183 I185 A221 V224	M180-A226 HydrophobicContact CB-CB 4.04Å; M180-A226 HydrophobicContact CE-CB 4.37Å; M180-A226 HydrophobicContact CG-CB 4.43Å; M180-A226 HydrophobicContact SD-CB 3.71Å; K183-A226 WeakPolarHBondContact O-CB 3.49Å; I185-A226 HydrophobicContact CD1-CB 3.75Å; I185-A226 HydrophobicContact CG1-CB 4.01Å; A221-A226 HydrophobicContact CB-CB 4.48Å; A221-A226 PolarHBondContact O-N 3.5Å; V224-A226 HydrophobicContact CG2-CB 3.79Å; V224-A226 PolarHBondContact O-N 2.76Å
227	T	95.6	Very high	92.2	Very high	70 Å²	70	62.7 Å²	62.7	43%	0.429	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	153	171.2	56	0	0	0	0	110.2	G182 K183 A184 I185	G182-T227 WeakPolarHBondContact O-CG2 3.49Å; G182-T227 PolarHBondContact O-OG1 3.42Å; K183-T227 PolarHBondContact O-N 3.48Å; A184-T227 CarbonylContact C-O 3.56Å; A184-T227 WeakPolarHBondContact CA-O 3.34Å; A184-T227 VanDerWaalsContact CA-OG1 3.29Å; A184-T227 WeakPolarHBondContact CA-OG1 3.41Å; A184-T227 PolarHBondContact N-OG1 3.33Å; I185-T227 PolarHBondContact N-O 3.38Å
228	L	95.4	Very high	91.6	Very high	45 Å²	45	64 Å²	64	24%	0.236	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.5	176.2	-66.7	-179.4	0	0	0	109.2	I185 I187 M209 I217 A221 L230	I185-L228 HydrophobicContact CB-CD2 4.16Å; I187-L228 HydrophobicContact CD1-CB 3.96Å; I187-L228 HydrophobicContact CD1-CD1 4.18Å; I187-L228 HydrophobicContact CD1-CD2 4.17Å; I187-L228 HydrophobicContact CD1-CG 4.34Å; I187-L228 HydrophobicContact CG2-CD2 4.48Å; M209-L228 HydrophobicContact CE-CD1 4.06Å; I217-L228 HydrophobicContact CG2-CD1 4.2Å; I217-L228 HydrophobicContact CG2-CD2 3.94Å; A221-L228 HydrophobicContact CB-CD1 4.29Å; A221-L228 HydrophobicContact CB-CD2 3.67Å; A221-L228 HydrophobicContact CB-CG 3.8Å; L228-L230 HydrophobicContact CB-CD1 3.9Å
229	Q	95.3	Very high	91	Very high	84 Å²	84	63.8 Å²	63.8	39%	0.393	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	105.4	171.6	178.6	177.8	-4.6	0	0	108.7	A184 I185 I187	A184-Q229 HydrophobicContact CB-CB 4.09Å; I185-Q229 PolarHBondContact O-N 2.83Å; I187-Q229 WeakPolarHBondContact CG1-O 3.1Å; I187-Q229 PolarHBondContact N-O 2.82Å
230	L	93	Very high	90.5	Very high	47 Å²	47	64.9 Å²	64.9	25%	0.246	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.8	-178.5	-76.3	75.1	0	0	0	110.7	I187 M209 L228	I187-L230 HydrophobicContact CD1-CD1 3.9Å; I187-L230 HydrophobicContact CD1-CG 3.87Å; I187-L230 HydrophobicContact CG1-CD1 4.5Å; I187-L230 HydrophobicContact CG1-CG 4.34Å; M209-L230 HydrophobicContact CE-CD1 4.45Å; M209-L230 HydrophobicContact CE-CD2 4.31Å; M209-L230 HydrophobicContact CE-CG 4.37Å; M209-L230 HydrophobicContact CG-CD2 3.84Å; M209-L230 HydrophobicContact SD-CD2 3.92Å; M209-L230 HydrophobicContact SD-CG 4.35Å; L228-L230 HydrophobicContact CB-CD1 3.9Å
231	D	91.8	Very high	90.2	Very high	74 Å²	74	66.1 Å²	66.1	40%	0.396	35%	0.349	S	S	.	.			trans	-116.3	154.2	167.3	-72.8	-42.3	0	0	0	110.1	I187 V188 P189	I187-D231 PolarHBondContact O-N 3.27Å; V188-D231 HydrophobicContact CG2-CB 3.9Å; P189-D231 VanDerWaalsContact CD-O 3.24Å; P189-D231 WeakPolarHBondContact CD-O 3.36Å
232	F	90.6	Very high	89.9	Confident	102 Å²	102	66 Å²	66	45%	0.447	35%	0.348	S	S	.	.			trans	-115.6	140.1	-176.9	-66.9	-73.9	0	0	0	112.7	P189 L191 V198 L207	P189-F232 HydrophobicContact CG-CD1 4.47Å; P189-F232 HydrophobicContact CG-CE1 4.27Å; L191-F232 HydrophobicContact CD1-CD1 4.11Å; L191-F232 HydrophobicContact CD1-CE1 4.35Å; L191-F232 HydrophobicContact CD2-CE1 4.33Å; V198-F232 HydrophobicContact CG2-CE1 4.24Å; L207-F232 HydrophobicContact CD2-CE2 3.86Å; L207-F232 HydrophobicContact CD2-CZ 3.57Å
233	L	87.8	Confident	89.6	Confident	34 Å²	34	60 Å²	60	18%	0.178	32%	0.321	C	S	.	.			trans	-68.5	135.1	173.5	-168.8	72	0	0	0	110.7	V188 K237 S238 E241 I242 M245	V188-L233 HydrophobicContact CG1-CB 4.31Å; L233-K237 HydrophobicContact CD1-CB 3.95Å; L233-K237 HydrophobicContact CD2-CB 4.13Å; L233-K237 HydrophobicContact CG-CB 3.99Å; L233-S238 WeakPolarHBondContact CD2-O 3.34Å; L233-E241 HydrophobicContact CD1-CB 3.83Å; L233-E241 HydrophobicContact CD1-CG 3.7Å; L233-I242 HydrophobicContact CD1-CG1 4.4Å; L233-I242 HydrophobicContact CD2-CG1 4.4Å; L233-M245 HydrophobicContact CD1-SD 4.41Å
234	K	84.8	Confident	89.4	Confident	145 Å²	145	59.6 Å²	59.6	63%	0.63	32%	0.317	S	S	*	.			trans	-59.1	139.6	173.9	-68.8	-177.1	-179.6	179.3	0	110.6	S236 K237	K234-S236 PolarHBondContact O-N 3.36Å; K234-K237 HydrophobicContact CB-CG 4.45Å; K234-K237 PolarHBondContact O-N 3.28Å
235	P	76.1	Confident	89.2	Confident	99 Å²	99	61 Å²	61	64%	0.643	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.7	-176.6	-29.6	35.6	0	0	0	115.7	K237 R439	P235-K237 VanDerWaalsContact C-N 3.33Å; P235-R439 PolarHBondContact O-NH2 2.99Å; P235-R439 VanDerWaalsContact O-NH2 3.11Å
236	S	74.9	Confident	89	Confident	111 Å²	111	57.2 Å²	57.2	78%	0.776	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-10	-179.3	62.2	0	0	0	0	114.4	K234	K234-S236 PolarHBondContact O-N 3.36Å
237	K	82.8	Confident	88.6	Confident	82 Å²	82	59.3 Å²	59.3	36%	0.357	31%	0.31	S	S	.	.	S	Bend	trans	-96.5	148.5	-176.7	-67.1	-146.8	175.2	-162.8	0	111.9	L233 K234 P235 E241	L233-K237 HydrophobicContact CD1-CB 3.95Å; L233-K237 HydrophobicContact CD2-CB 4.13Å; L233-K237 HydrophobicContact CG-CB 3.99Å; K234-K237 HydrophobicContact CB-CG 4.45Å; K234-K237 PolarHBondContact O-N 3.28Å; P235-K237 VanDerWaalsContact C-N 3.33Å; K237-E241 HydrophobicContact CB-CB 4.31Å; K237-E241 HydrophobicContact CB-CG 4.4Å; K237-E241 HydrophobicContact CD-CB 4.3Å; K237-E241 HydrophobicContact CD-CG 3.6Å; K237-E241 WeakPolarHBondContact CD-OE1 3.42Å; K237-E241 IonicContact NZ-OE1 3.86Å; K237-E241 PolarHBondContact NZ-OE1 2.83Å; K237-E241 IonicContact NZ-OE2 3.28Å
238	S	83.8	Confident	88.4	Confident	30 Å²	30	59.5 Å²	59.5	21%	0.21	31%	0.308	C	S	.	.			trans	-76.4	153.4	174	171.7	0	0	0	0	110.9	L233 T240 E241 I411	L233-S238 WeakPolarHBondContact CD2-O 3.34Å; S238-T240 WeakPolarHBondContact CB-OG1 3.42Å; S238-T240 PolarHBondContact O-N 2.97Å; S238-T240 VanDerWaalsContact O-N 3.15Å; S238-T240 PolarHBondContact OG-N 3.27Å; S238-T240 PolarHBondContact OG-OG1 2.86Å; S238-E241 WeakPolarHBondContact O-CB 3.45Å; S238-E241 PolarHBondContact O-N 2.94Å; S238-I411 VanDerWaalsContact OG-CD1 3.3Å; S238-I411 WeakPolarHBondContact OG-CD1 3.25Å
239	I	84.4	Confident	88.1	Confident	31 Å²	31	60.1 Å²	60.1	16%	0.159	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.3	174.4	-65.3	158	0	0	0	112	D190 L192 E241 I242 W438	D190-I239 HydrophobicContact CB-CG1 4.43Å; D190-I239 HydrophobicContact CB-CG2 3.96Å; L192-I239 HydrophobicContact CD1-CD1 3.64Å; L192-I239 HydrophobicContact CD2-CD1 4.03Å; L192-I239 HydrophobicContact CG-CD1 3.98Å; I239-E241 PolarHBondContact O-N 3.31Å; I239-I242 HydrophobicContact CG2-CD1 4.4Å; I239-I242 WeakPolarHBondContact O-CB 3.32Å; I239-I242 PolarHBondContact O-N 2.92Å; I239-W438 HydrophobicContact CD1-CD2 4.3Å; I239-W438 HydrophobicContact CD1-CE3 3.7Å; I239-W438 HydrophobicContact CD1-CH2 3.42Å; I239-W438 VanDerWaalsContact CD1-CH2 3.42Å; I239-W438 HydrophobicContact CD1-CZ2 4.03Å; I239-W438 HydrophobicContact CD1-CZ3 3.23Å; I239-W438 HydrophobicContact CG1-CE3 4.49Å; I239-W438 HydrophobicContact CG1-CH2 3.57Å; I239-W438 HydrophobicContact CG1-CZ2 3.82Å; I239-W438 HydrophobicContact CG1-CZ3 3.95Å
240	T	86.4	Confident	88.1	Confident	71 Å²	71	60.6 Å²	60.6	44%	0.436	31%	0.314	S	S	.	.	H	α-helix	trans	-58	-21.8	175.5	55.2	0	0	0	0	113.1	S238 I242 S243 R244 I411	S238-T240 WeakPolarHBondContact CB-OG1 3.42Å; S238-T240 PolarHBondContact O-N 2.97Å; S238-T240 VanDerWaalsContact O-N 3.15Å; S238-T240 PolarHBondContact OG-N 3.27Å; S238-T240 PolarHBondContact OG-OG1 2.86Å; T240-I242 VanDerWaalsContact C-N 3.28Å; T240-I242 PolarHBondContact O-N 2.65Å; T240-S243 PolarHBondContact O-N 3.03Å; T240-R244 PolarHBondContact O-N 2.9Å; T240-R244 VanDerWaalsContact O-N 3.17Å; T240-I411 HydrophobicContact CG2-CD1 4.32Å; T240-I411 HydrophobicContact CG2-CG2 4.14Å
241	E	90.6	Very high	88.1	Confident	27 Å²	27	58.5 Å²	58.5	13%	0.126	30%	0.303	C	S	.	.	H	α-helix	trans	-63.4	-33.5	173.2	-176.4	71.5	168.9	0	0	112.3	L233 K237 S238 I239 S243 R244 M245	L233-E241 HydrophobicContact CD1-CB 3.83Å; L233-E241 HydrophobicContact CD1-CG 3.7Å; K237-E241 HydrophobicContact CB-CB 4.31Å; K237-E241 HydrophobicContact CB-CG 4.4Å; K237-E241 HydrophobicContact CD-CB 4.3Å; K237-E241 HydrophobicContact CD-CG 3.6Å; K237-E241 WeakPolarHBondContact CD-OE1 3.42Å; K237-E241 IonicContact NZ-OE1 3.86Å; K237-E241 PolarHBondContact NZ-OE1 2.83Å; K237-E241 IonicContact NZ-OE2 3.28Å; S238-E241 WeakPolarHBondContact O-CB 3.45Å; S238-E241 PolarHBondContact O-N 2.94Å; I239-E241 PolarHBondContact O-N 3.31Å; E241-S243 VanDerWaalsContact C-N 3.32Å; E241-S243 PolarHBondContact O-N 3.27Å; E241-R244 CarbonylContact O-C 3.48Å; E241-R244 WeakPolarHBondContact O-CA 3.37Å; E241-R244 WeakPolarHBondContact O-CB 3.48Å; E241-R244 PolarHBondContact O-N 3.3Å; E241-R244 IonicContact OE1-CZ 3.89Å; E241-R244 VanDerWaalsContact OE1-CZ 3.31Å; E241-R244 IonicContact OE1-NE 3.56Å; E241-R244 PolarHBondContact OE1-NE 3.21Å; E241-R244 VanDerWaalsContact OE1-NE 3.16Å; E241-R244 IonicContact OE1-NH2 3.74Å; E241-R244 PolarHBondContact OE1-NH2 2.8Å; E241-R244 IonicContact OE2-CZ 2.61Å; E241-R244 IonicContact OE2-NE 2.61Å; E241-R244 PolarHBondContact OE2-NE 2.76Å; E241-R244 IonicContact OE2-NH2 3.48Å; E241-M245 HydrophobicContact CG-CG 4.2Å; E241-M245 HydrophobicContact CG-SD 4.14Å; E241-M245 VanDerWaalsContact O-CG 3.3Å; E241-M245 WeakPolarHBondContact O-CG 3.38Å; E241-M245 PolarHBondContact O-N 2.93Å
242	I	91.6	Very high	88.3	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-61.9	-44.9	178.5	-60.1	177.4	0	0	0	109.7	V188 D190 L233 I239 T240 R244 M245 A246 L251 G254 T256	V188-I242 HydrophobicContact CB-CG2 4.45Å; V188-I242 HydrophobicContact CG1-CD1 4.1Å; V188-I242 HydrophobicContact CG1-CG1 3.96Å; D190-I242 HydrophobicContact CB-CD1 4.02Å; L233-I242 HydrophobicContact CD1-CG1 4.4Å; L233-I242 HydrophobicContact CD2-CG1 4.4Å; I239-I242 HydrophobicContact CG2-CD1 4.4Å; I239-I242 WeakPolarHBondContact O-CB 3.32Å; I239-I242 PolarHBondContact O-N 2.92Å; T240-I242 VanDerWaalsContact C-N 3.28Å; T240-I242 PolarHBondContact O-N 2.65Å; I242-R244 VanDerWaalsContact C-N 3.31Å; I242-R244 PolarHBondContact O-N 3.49Å; I242-M245 PolarHBondContact O-N 3Å; I242-A246 PolarHBondContact O-N 3.21Å; I242-L251 HydrophobicContact CG2-CD2 4.44Å; I242-G254 VanDerWaalsContact CG2-CA 3.46Å; I242-T256 HydrophobicContact CB-CG2 4.24Å; I242-T256 HydrophobicContact CG2-CG2 3.85Å
243	S	90.3	Very high	88.5	Confident	13 Å²	13	50.9 Å²	50.9	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-36	173.4	-66.2	0	0	0	0	112.1	T240 E241 K247 E258	T240-S243 PolarHBondContact O-N 3.03Å; E241-S243 VanDerWaalsContact C-N 3.32Å; E241-S243 PolarHBondContact O-N 3.27Å; S243-K247 WeakPolarHBondContact O-CB 3.43Å; S243-K247 VanDerWaalsContact O-CG 3.22Å; S243-K247 WeakPolarHBondContact O-CG 3.5Å; S243-K247 PolarHBondContact O-N 3.47Å; S243-E258 WeakPolarHBondContact CB-OE2 3.35Å; S243-E258 PolarHBondContact OG-OE2 2.69Å
244	R	91.3	Very high	88.8	Confident	86 Å²	86	49.3 Å²	49.3	33%	0.325	26%	0.259	S	S	.	.	H	α-helix	trans	-64.7	-48.7	174.4	-170.5	-162.9	66.1	71.4	4.5	111.4	T240 E241 I242 A246 K247 D248 E250	T240-R244 PolarHBondContact O-N 2.9Å; T240-R244 VanDerWaalsContact O-N 3.17Å; E241-R244 CarbonylContact O-C 3.48Å; E241-R244 WeakPolarHBondContact O-CA 3.37Å; E241-R244 WeakPolarHBondContact O-CB 3.48Å; E241-R244 PolarHBondContact O-N 3.3Å; E241-R244 IonicContact OE1-CZ 3.89Å; E241-R244 VanDerWaalsContact OE1-CZ 3.31Å; E241-R244 IonicContact OE1-NE 3.56Å; E241-R244 PolarHBondContact OE1-NE 3.21Å; E241-R244 VanDerWaalsContact OE1-NE 3.16Å; E241-R244 IonicContact OE1-NH2 3.74Å; E241-R244 PolarHBondContact OE1-NH2 2.8Å; E241-R244 IonicContact OE2-CZ 2.61Å; E241-R244 IonicContact OE2-NE 2.61Å; E241-R244 PolarHBondContact OE2-NE 2.76Å; E241-R244 IonicContact OE2-NH2 3.48Å; I242-R244 VanDerWaalsContact C-N 3.31Å; I242-R244 PolarHBondContact O-N 3.49Å; R244-A246 VanDerWaalsContact C-N 3.28Å; R244-A246 PolarHBondContact O-N 3.22Å; R244-K247 CarbonylContact O-C 3.54Å; R244-K247 WeakPolarHBondContact O-CA 3.37Å; R244-K247 WeakPolarHBondContact O-CB 3.2Å; R244-K247 PolarHBondContact O-N 2.91Å; R244-D248 WeakPolarHBondContact CG-OD2 3.44Å; R244-D248 IonicContact CZ-OD2 3.31Å; R244-D248 IonicContact NH1-OD2 3.95Å; R244-D248 PolarHBondContact NH1-OD2 2.84Å; R244-D248 PolarHBondContact O-N 2.99Å; R244-E250 IonicContact CZ-OE1 3.87Å; R244-E250 IonicContact NH1-OE1 3.07Å; R244-E250 PolarHBondContact NH1-OE1 3.46Å; R244-E250 IonicContact NH2-OE1 2.68Å; R244-E250 PolarHBondContact NH2-OE1 3.1Å; R244-E250 VanDerWaalsContact NH2-OE1 3.07Å; R244-E250 IonicContact NH2-OE2 3.92Å
245	M	93.1	Very high	89.2	Confident	34 Å²	34	42.4 Å²	42.4	17%	0.167	23%	0.229	C	C	.	.	H	α-helix	trans	-59.1	-39.8	178.6	-69.2	173.3	72.1	0	0	111.6	V188 L233 E241 I242 D248 D249 E250 L251	V188-M245 HydrophobicContact CG2-CE 4.02Å; L233-M245 HydrophobicContact CD1-SD 4.41Å; E241-M245 HydrophobicContact CG-CG 4.2Å; E241-M245 HydrophobicContact CG-SD 4.14Å; E241-M245 VanDerWaalsContact O-CG 3.3Å; E241-M245 WeakPolarHBondContact O-CG 3.38Å; E241-M245 PolarHBondContact O-N 2.93Å; I242-M245 PolarHBondContact O-N 3Å; M245-D248 PolarHBondContact O-N 3.41Å; M245-D249 PolarHBondContact O-N 3.47Å; M245-E250 HydrophobicContact CB-CB 4.16Å; M245-E250 WeakPolarHBondContact O-CB 3.34Å; M245-E250 PolarHBondContact O-N 2.92Å; M245-L251 HydrophobicContact CB-CD2 3.51Å; M245-L251 HydrophobicContact CB-CG 4.01Å; M245-L251 HydrophobicContact CE-CD2 4.24Å; M245-L251 HydrophobicContact SD-CD2 4.45Å
246	A	92.1	Very high	90	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.2	-50.7	171.5	0	0	0	0	0	110.7	I242 R244 D248 D249 L251 P493 R495	I242-A246 PolarHBondContact O-N 3.21Å; R244-A246 VanDerWaalsContact C-N 3.28Å; R244-A246 PolarHBondContact O-N 3.22Å; A246-D248 PolarHBondContact O-N 3.31Å; A246-D248 VanDerWaalsContact O-N 3.16Å; A246-D249 PolarHBondContact O-N 3.37Å; A246-L251 HydrophobicContact CB-CD1 3.67Å; A246-L251 HydrophobicContact CB-CG 4.33Å; A246-P493 HydrophobicContact CB-CB 3.94Å; A246-R495 VanDerWaalsContact O-CA 3.27Å; A246-R495 WeakPolarHBondContact O-CA 3.35Å
247	K	89.1	Confident	90.7	Very high	59 Å²	59	33.3 Å²	33.3	26%	0.257	17%	0.166	S	C	.	.	H	α-helix	trans	-59.8	-26.2	178	-74.1	169.1	-171.9	174.8	0	112.9	S243 R244 E258 T268 R496	S243-K247 WeakPolarHBondContact O-CB 3.43Å; S243-K247 VanDerWaalsContact O-CG 3.22Å; S243-K247 WeakPolarHBondContact O-CG 3.5Å; S243-K247 PolarHBondContact O-N 3.47Å; R244-K247 CarbonylContact O-C 3.54Å; R244-K247 WeakPolarHBondContact O-CA 3.37Å; R244-K247 WeakPolarHBondContact O-CB 3.2Å; R244-K247 PolarHBondContact O-N 2.91Å; K247-E258 IonicContact NZ-OE1 3.77Å; K247-E258 PolarHBondContact NZ-OE1 3.37Å; K247-T268 WeakPolarHBondContact CE-OG1 3.3Å; K247-T268 HydrophobicContact CG-CG2 3.98Å; K247-T268 WeakPolarHBondContact CG-OG1 3.37Å; K247-R496 PolarHBondContact O-NE 3.47Å; K247-R496 PolarHBondContact O-NH2 2.89Å
248	D	91.2	Very high	91	Very high	74 Å²	74	30.1 Å²	30.1	40%	0.396	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	14.1	179.6	-66.6	-24.3	0	0	0	113	R244 M245 A246 E250 R496	R244-D248 WeakPolarHBondContact CG-OD2 3.44Å; R244-D248 IonicContact CZ-OD2 3.31Å; R244-D248 IonicContact NH1-OD2 3.95Å; R244-D248 PolarHBondContact NH1-OD2 2.84Å; R244-D248 PolarHBondContact O-N 2.99Å; M245-D248 PolarHBondContact O-N 3.41Å; A246-D248 PolarHBondContact O-N 3.31Å; A246-D248 VanDerWaalsContact O-N 3.16Å; D248-E250 HydrophobicContact CB-CG 4.22Å; D248-E250 PolarHBondContact O-N 3.47Å; D248-E250 VanDerWaalsContact O-N 3.13Å; D248-R496 IonicContact OD1-NH2 3.33Å; D248-R496 PolarHBondContact OD1-NH2 3.11Å
249	D	90.3	Very high	91.2	Very high	59 Å²	59	29.4 Å²	29.4	32%	0.316	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	22.5	179	-56.4	-36.9	0	0	0	113.4	M245 A246 L251 R495 R496 H497	M245-D249 PolarHBondContact O-N 3.47Å; A246-D249 PolarHBondContact O-N 3.37Å; D249-L251 VanDerWaalsContact C-N 3.34Å; D249-R495 WeakPolarHBondContact OD1-CB 3.44Å; D249-R496 WeakPolarHBondContact OD1-CB 3.39Å; D249-R496 PolarHBondContact OD1-N 3.3Å; D249-H497 IonicContact OD2-ND1 3.11Å
250	E	93.6	Very high	91.2	Very high	93 Å²	93	29.3 Å²	29.3	44%	0.435	15%	0.15	S	C	.	.	S	Bend	trans	-74.3	-26.1	177.2	-62.9	-178.7	-147.3	0	0	111.9	R244 M245 D248	R244-E250 IonicContact CZ-OE1 3.87Å; R244-E250 IonicContact NH1-OE1 3.07Å; R244-E250 PolarHBondContact NH1-OE1 3.46Å; R244-E250 IonicContact NH2-OE1 2.68Å; R244-E250 PolarHBondContact NH2-OE1 3.1Å; R244-E250 VanDerWaalsContact NH2-OE1 3.07Å; R244-E250 IonicContact NH2-OE2 3.92Å; M245-E250 HydrophobicContact CB-CB 4.16Å; M245-E250 WeakPolarHBondContact O-CB 3.34Å; M245-E250 PolarHBondContact O-N 2.92Å; D248-E250 HydrophobicContact CB-CG 4.22Å; D248-E250 PolarHBondContact O-N 3.47Å; D248-E250 VanDerWaalsContact O-N 3.13Å
251	L	94.6	Very high	90.9	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.016	14%	0.142	C	C	.	.	S	Bend	trans	-137.9	160.4	180	63.9	79.6	0	0	0	110.6	K186 V188 I242 M245 A246 D249 R495	K186-L251 HydrophobicContact CB-CB 4.48Å; V188-L251 HydrophobicContact CB-CD2 3.88Å; V188-L251 HydrophobicContact CG2-CD2 3.67Å; I242-L251 HydrophobicContact CG2-CD2 4.44Å; M245-L251 HydrophobicContact CB-CD2 3.51Å; M245-L251 HydrophobicContact CB-CG 4.01Å; M245-L251 HydrophobicContact CE-CD2 4.24Å; M245-L251 HydrophobicContact SD-CD2 4.45Å; A246-L251 HydrophobicContact CB-CD1 3.67Å; A246-L251 HydrophobicContact CB-CG 4.33Å; D249-L251 VanDerWaalsContact C-N 3.34Å; L251-R495 WeakPolarHBondContact O-CB 3.05Å
252	D	94.8	Very high	90.1	Very high	17 Å²	17	30.7 Å²	30.7	9%	0.091	16%	0.156	C	C	.	.	S	Bend	trans	-84	-43.8	-179.3	-62.3	-45.8	0	0	0	112.3	I185 K186 R495 L498	I185-D252 HydrophobicContact CG2-CB 3.89Å; K186-D252 PolarHBondContact N-OD2 3.43Å; K186-D252 PolarHBondContact O-N 2.94Å; D252-R495 PolarHBondContact O-N 2.99Å; D252-R495 WeakPolarHBondContact OD1-CD 3.49Å; D252-R495 IonicContact OD1-CZ 3.69Å; D252-R495 IonicContact OD1-NE 3.15Å; D252-R495 IonicContact OD1-NH1 2.88Å; D252-R495 PolarHBondContact OD1-NH1 2.81Å; D252-L498 HydrophobicContact CB-CD1 4.21Å
253	M	94.9	Very high	89	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	123.8	179.5	-57.8	178	168.4	0	0	111.1	I185 K186 I187 I217 F220 L494 L498 Y500 F504	I185-M253 HydrophobicContact CG2-CG 4.48Å; I185-M253 HydrophobicContact CG2-SD 4.37Å; K186-M253 PolarHBondContact O-N 3.32Å; I187-M253 WeakPolarHBondContact CA-O 3.49Å; I187-M253 HydrophobicContact CG2-CB 4.24Å; I217-M253 HydrophobicContact CD1-SD 4.27Å; F220-M253 HydrophobicContact CD1-CE 4.41Å; F220-M253 HydrophobicContact CE1-CE 4.04Å; M253-L494 HydrophobicContact CB-CD2 4.27Å; M253-L494 HydrophobicContact CE-CD2 4.38Å; M253-L494 HydrophobicContact CG-CD2 3.78Å; M253-L498 HydrophobicContact CE-CD2 3.64Å; M253-Y500 HydrophobicContact CE-CD2 4.11Å; M253-Y500 HydrophobicContact CE-CE2 3.52Å; M253-F504 HydrophobicContact CE-CB 3.92Å; M253-F504 HydrophobicContact CE-CD1 3.88Å; M253-F504 HydrophobicContact CE-CD2 3.74Å; M253-F504 HydrophobicContact CE-CE1 4.33Å; M253-F504 HydrophobicContact CE-CE2 4.23Å; M253-F504 HydrophobicContact CE-CG 3.55Å; M253-F504 HydrophobicContact CE-CZ 4.49Å; M253-F504 HydrophobicContact SD-CD2 4.19Å; M253-F504 HydrophobicContact SD-CE1 4.42Å; M253-F504 HydrophobicContact SD-CE2 4.09Å; M253-F504 HydrophobicContact SD-CG 4.42Å; M253-F504 HydrophobicContact SD-CZ 4.2Å
254	G	94.3	Very high	87.8	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	115.2	173.9	0	0	0	0	0	109	I242 T256 I492 P493	I242-G254 VanDerWaalsContact CG2-CA 3.46Å; G254-T256 PolarHBondContact O-N 3.13Å; G254-I492 VanDerWaalsContact O-CG2 3.3Å; G254-I492 WeakPolarHBondContact O-CG2 3.26Å; G254-P493 PolarHBondContact N-O 3.14Å; G254-P493 WeakPolarHBondContact O-CD 3.39Å
255	I	94	Very high	86.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	75.9	-177.8	-45.6	-176.6	0	0	0	108.9	I187 V188 P189 D190 V196 M209 V213 I217	I187-I255 HydrophobicContact CB-CD1 3.78Å; I187-I255 HydrophobicContact CB-CG1 3.97Å; I187-I255 HydrophobicContact CD1-CD1 3.42Å; I187-I255 VanDerWaalsContact CD1-CD1 3.42Å; I187-I255 HydrophobicContact CG1-CD1 4.16Å; I187-I255 HydrophobicContact CG2-CD1 4.09Å; I187-I255 HydrophobicContact CG2-CG1 4.2Å; V188-I255 PolarHBondContact O-N 3.47Å; P189-I255 WeakPolarHBondContact CA-O 3.38Å; P189-I255 HydrophobicContact CB-CB 4.21Å; D190-I255 PolarHBondContact N-O 3.02Å; V196-I255 HydrophobicContact CG2-CB 4.47Å; V196-I255 HydrophobicContact CG2-CG2 3.43Å; V196-I255 VanDerWaalsContact CG2-CG2 3.43Å; M209-I255 HydrophobicContact CE-CD1 3.72Å; M209-I255 HydrophobicContact SD-CD1 3.98Å; V213-I255 HydrophobicContact CB-CG2 4.44Å; V213-I255 HydrophobicContact CG1-CG2 3.64Å; I217-I255 HydrophobicContact CB-CD1 4.24Å; I217-I255 HydrophobicContact CG1-CD1 4.02Å; I217-I255 HydrophobicContact CG1-CG1 4.14Å; I217-I255 HydrophobicContact CG1-CG2 4.13Å; I217-I255 HydrophobicContact CG2-CD1 3.94Å
256	T	91.8	Very high	86.2	Confident	7 Å²	7	39 Å²	39	4%	0.043	22%	0.217	C	C	.	.	S	Bend	trans	-148.6	169.9	176.6	-173.8	0	0	0	0	108.6	D190 I242 G254 P493	D190-T256 PolarHBondContact OD2-OG1 3.24Å; I242-T256 HydrophobicContact CB-CG2 4.24Å; I242-T256 HydrophobicContact CG2-CG2 3.85Å; G254-T256 PolarHBondContact O-N 3.13Å; T256-P493 HydrophobicContact CG2-CG 3.44Å; T256-P493 VanDerWaalsContact CG2-CG 3.44Å
257	L	90.9	Very high	85.7	Confident	12 Å²	12	42 Å²	42	6%	0.063	23%	0.231	C	C	.	.			trans	-116.8	104.1	176.8	-68.1	-176.3	0	0	0	109.9	Y212 V213 Y273 L274 L490 I492	Y212-L257 HydrophobicContact CE2-CD1 3.93Å; Y212-L257 VanDerWaalsContact OH-CD1 3.32Å; Y212-L257 WeakPolarHBondContact OH-CD1 3.35Å; V213-L257 HydrophobicContact CG2-CD1 3.9Å; V213-L257 HydrophobicContact CG2-CD2 4.16Å; V213-L257 HydrophobicContact CG2-CG 4.02Å; L257-Y273 HydrophobicContact CD2-CD1 3.9Å; L257-L274 HydrophobicContact CD1-CD1 4.03Å; L257-L490 HydrophobicContact CB-CB 4.06Å; L257-L490 HydrophobicContact CB-CD1 4.16Å; L257-L490 HydrophobicContact CB-CD2 4.46Å; L257-L490 HydrophobicContact CB-CG 4.45Å; L257-L490 HydrophobicContact CD1-CB 4.29Å; L257-L490 HydrophobicContact CD1-CD1 3.76Å; L257-L490 HydrophobicContact CD2-CB 4.35Å; L257-L490 HydrophobicContact CG-CB 4.46Å; L257-I492 HydrophobicContact CD2-CG1 4.08Å
258	E	88	Confident	85.6	Confident	16 Å²	16	39.7 Å²	39.7	8%	0.075	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122.1	175.7	-170.9	164.8	-177.6	0	0	109.2	S243 K247 N262 T263 L490 S491	S243-E258 WeakPolarHBondContact CB-OE2 3.35Å; S243-E258 PolarHBondContact OG-OE2 2.69Å; K247-E258 IonicContact NZ-OE1 3.77Å; K247-E258 PolarHBondContact NZ-OE1 3.37Å; E258-N262 HydrophobicContact CG-CB 4.47Å; E258-T263 HydrophobicContact CG-CG2 4.36Å; E258-T263 WeakPolarHBondContact OE1-CB 3.48Å; E258-L490 WeakPolarHBondContact O-CA 3.5Å; E258-S491 PolarHBondContact N-O 2.92Å; E258-S491 PolarHBondContact O-N 3.12Å
259	A	88.1	Confident	85.5	Confident	15 Å²	15	36.2 Å²	36.2	12%	0.124	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	142.5	176.5	0	0	0	0	0	111	L261 N262 I488 L490	A259-L261 PolarHBondContact O-N 3.22Å; A259-N262 WeakPolarHBondContact O-CB 3.46Å; A259-N262 PolarHBondContact O-N 2.84Å; A259-I488 HydrophobicContact CB-CD1 4.2Å; A259-L490 HydrophobicContact CB-CD2 3.86Å
260	S	85.2	Confident	85.7	Confident	28 Å²	28	33.7 Å²	33.7	20%	0.196	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-21	174.7	63.5	0	0	0	0	114.7	N262 F489	S260-N262 VanDerWaalsContact C-N 3.28Å; S260-F489 PolarHBondContact N-O 2.94Å; S260-F489 PolarHBondContact OG-N 3.09Å
261	L	78.9	Confident	85.5	Confident	48 Å²	48	34.8 Å²	34.8	25%	0.251	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-26.6	173.9	-66.8	167.9	0	0	0	112.7	A259 V415 I488	A259-L261 PolarHBondContact O-N 3.22Å; L261-V415 HydrophobicContact CB-CG1 3.82Å; L261-V415 WeakPolarHBondContact O-CG1 3.44Å; L261-I488 HydrophobicContact CD1-CG2 3.65Å; L261-I488 HydrophobicContact CD2-CG2 4.44Å; L261-I488 HydrophobicContact CG-CG2 3.8Å
262	N	74.1	Confident	85.4	Confident	80 Å²	80	37.2 Å²	37.2	43%	0.428	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-20.3	-172.1	-65.2	2.1	0	0	0	113	E258 A259 S260 V415	E258-N262 HydrophobicContact CG-CB 4.47Å; A259-N262 WeakPolarHBondContact O-CB 3.46Å; A259-N262 PolarHBondContact O-N 2.84Å; S260-N262 VanDerWaalsContact C-N 3.28Å; N262-V415 WeakPolarHBondContact OD1-CG1 3.42Å; N262-V415 WeakPolarHBondContact OD1-CG2 3.18Å
263	T	69.5	Low	85.4	Confident	17 Å²	17	36.8 Å²	36.8	10%	0.104	20%	0.204	C	C	.	.			trans	-127.2	126.7	-175.5	-167.4	0	0	0	0	112.1	E258 N265 L266	E258-T263 HydrophobicContact CG-CG2 4.36Å; E258-T263 WeakPolarHBondContact OE1-CB 3.48Å; T263-N265 PolarHBondContact OG1-N 3.23Å; T263-N265 PolarHBondContact OG1-O 3.02Å; T263-L266 HydrophobicContact CG2-CD2 4.21Å
264	S	65.3	Low	85.2	Confident	130 Å²	130	37.4 Å²	37.4	91%	0.909	21%	0.208	S	C	*	.	S	Bend	trans	-85.9	-24.4	170	53.5	0	0	0	0	112.4
265	N	71.1	Confident	85.1	Confident	73 Å²	73	42.4 Å²	42.4	39%	0.39	23%	0.234	S	C	.	.			trans	-103.2	119.7	178.7	-169.4	-6.7	0	0	0	110.7	T263 E267	T263-N265 PolarHBondContact OG1-N 3.23Å; T263-N265 PolarHBondContact OG1-O 3.02Å; N265-E267 PolarHBondContact ND2-OE2 3.36Å; N265-E267 WeakPolarHBondContact OD1-CB 3.39Å; N265-E267 WeakPolarHBondContact OD1-CG 3.36Å; N265-E267 PolarHBondContact OD1-N 3.37Å
266	L	78.5	Confident	85.1	Confident	88 Å²	88	42.6 Å²	42.6	46%	0.461	24%	0.235	S	C	.	.			trans	-93.5	-1.4	179.6	-62.1	174.1	0	0	0	113.2	T263 T268 S269 F489	T263-L266 HydrophobicContact CG2-CD2 4.21Å; L266-T268 PolarHBondContact O-N 3.18Å; L266-S269 PolarHBondContact O-N 2.96Å; L266-F489 HydrophobicContact CD1-CZ 4.38Å; L266-F489 HydrophobicContact CD2-CE2 3.75Å; L266-F489 HydrophobicContact CD2-CZ 4.01Å
267	E	80.8	Confident	85.2	Confident	63 Å²	63	42.8 Å²	42.8	29%	0.294	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-35.3	-179.8	-73.2	173.6	161	0	0	112.3	S102 N265 R501	S102-E267 WeakPolarHBondContact CB-OE1 3.34Å; N265-E267 PolarHBondContact ND2-OE2 3.36Å; N265-E267 WeakPolarHBondContact OD1-CB 3.39Å; N265-E267 WeakPolarHBondContact OD1-CG 3.36Å; N265-E267 PolarHBondContact OD1-N 3.37Å; E267-R501 PolarHBondContact O-NH1 3.44Å
268	T	87.5	Confident	85.3	Confident	10 Å²	10	42.9 Å²	42.9	6%	0.061	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	15.3	177.5	64.9	0	0	0	0	112.9	K247 L266 P493 L494 R496	K247-T268 WeakPolarHBondContact CE-OG1 3.3Å; K247-T268 HydrophobicContact CG-CG2 3.98Å; K247-T268 WeakPolarHBondContact CG-OG1 3.37Å; L266-T268 PolarHBondContact O-N 3.18Å; T268-P493 CarbonylContact O-C 3.3Å; T268-P493 WeakPolarHBondContact O-CA 3.17Å; T268-L494 VanDerWaalsContact CB-O 3.32Å; T268-L494 WeakPolarHBondContact CB-O 3.4Å; T268-L494 PolarHBondContact O-N 3.21Å; T268-R496 HydrophobicContact CG2-CG 3.75Å
269	S	90.5	Very high	85.6	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.014	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-107.5	136.3	177.5	-62.5	0	0	0	0	109.6	L266 R501	L266-S269 PolarHBondContact O-N 2.96Å; S269-R501 PolarHBondContact O-NH2 2.87Å
270	S	92.8	Very high	85.8	Confident	5 Å²	5	41.4 Å²	41.4	4%	0.035	23%	0.227	C	C	.	.			trans	-61.8	172.3	169.8	73.5	0	0	0	0	111.9	S491 I492	S270-S491 WeakPolarHBondContact O-CB 3.25Å; S270-S491 PolarHBondContact O-OG 2.93Å; S270-I492 WeakPolarHBondContact CB-O 3.34Å; S270-I492 PolarHBondContact N-O 3.04Å; S270-I492 PolarHBondContact OG-N 2.9Å; S270-I492 PolarHBondContact OG-O 2.77Å
271	Y	91.1	Very high	86.2	Confident	116 Å²	116	40 Å²	40	46%	0.455	22%	0.217	S	C	.	.	S	Bend	trans	-48.8	141.4	160.8	-170.1	-96.4	0	0	0	110.5	Y273 D505 M508 M509	Y271-Y273 PolarHBondContact O-N 2.82Å; Y271-Y273 VanDerWaalsContact O-N 3.1Å; Y271-D505 WeakPolarHBondContact CB-OD1 3.47Å; Y271-D505 PolarHBondContact N-OD1 3.39Å; Y271-M508 WeakPolarHBondContact O-CE 3.46Å; Y271-M509 HydrophobicContact CD1-CG 3.96Å; Y271-M509 HydrophobicContact CE1-CG 3.9Å; Y271-M509 HydrophobicContact CE2-SD 4.44Å; Y271-M509 HydrophobicContact CG-CG 4.41Å
272	P	92.1	Very high	86.9	Confident	54 Å²	54	37.9 Å²	37.9	35%	0.351	21%	0.206	S	C	.	.			trans	-49.9	115.8	175.5	-33.8	40.3	0	0	0	112.7	F489	P272-F489 HydrophobicContact CB-CB 3.96Å; P272-F489 HydrophobicContact CB-CD2 4.46Å; P272-F489 HydrophobicContact CB-CG 4.45Å; P272-F489 HydrophobicContact CG-CB 4.32Å; P272-F489 HydrophobicContact CG-CD2 4.09Å; P272-F489 HydrophobicContact CG-CG 4.29Å
273	Y	93.1	Very high	87.7	Confident	8 Å²	8	35.4 Å²	35.4	3%	0.031	19%	0.192	C	C	.	.			trans	-81.7	-44.9	-179.8	-176.4	-131.6	0	0	0	112.1	Y212 V213 L216 L257 Y271 L490 M508 V517	Y212-Y273 AromaticContact CD2-CE1 3.75Å; Y212-Y273 HydrophobicContact CD2-CE1 3.75Å; Y212-Y273 AromaticContact CE2-CE1 3.88Å; Y212-Y273 HydrophobicContact CE2-CE1 3.88Å; Y212-Y273 PolarHBondContact O-OH 2.84Å; Y212-Y273 VanDerWaalsContact O-OH 3.13Å; V213-Y273 HydrophobicContact CG2-CE1 4.13Å; L216-Y273 HydrophobicContact CD1-CE2 4.21Å; L216-Y273 HydrophobicContact CD2-CD2 3.89Å; L216-Y273 HydrophobicContact CD2-CE1 4.35Å; L216-Y273 HydrophobicContact CD2-CE2 3.68Å; L216-Y273 HydrophobicContact CD2-CG 4.33Å; L216-Y273 HydrophobicContact CG-CE2 4.35Å; L257-Y273 HydrophobicContact CD2-CD1 3.9Å; Y271-Y273 PolarHBondContact O-N 2.82Å; Y271-Y273 VanDerWaalsContact O-N 3.1Å; Y273-L490 WeakPolarHBondContact CB-O 3.44Å; Y273-L490 PolarHBondContact N-O 3.32Å; Y273-M508 VanDerWaalsContact CB-CE 3.46Å; Y273-M508 HydrophobicContact CD2-CE 3.81Å; Y273-M508 HydrophobicContact CG-CE 3.98Å; Y273-V517 HydrophobicContact CE1-CG1 4.39Å; Y273-V517 HydrophobicContact CE2-CB 4.45Å; Y273-V517 HydrophobicContact CE2-CG1 4.03Å; Y273-V517 HydrophobicContact CE2-CG2 3.54Å
274	L	92	Very high	88.6	Confident	14 Å²	14	37.1 Å²	37.1	7%	0.073	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	148.2	-179.3	-66.8	176.4	0	0	0	111.1	Y212 L257 F489 L490 V517	Y212-L274 HydrophobicContact CD2-CD1 4.36Å; Y212-L274 HydrophobicContact CE2-CD1 3.49Å; Y212-L274 VanDerWaalsContact CE2-CD1 3.49Å; L257-L274 HydrophobicContact CD1-CD1 4.03Å; L274-F489 CarbonylContact O-C 3.53Å; L274-F489 WeakPolarHBondContact O-CA 3.38Å; L274-L490 HydrophobicContact CB-CB 4.19Å; L274-L490 HydrophobicContact CB-CD1 4.3Å; L274-L490 HydrophobicContact CD1-CD1 4.4Å; L274-L490 PolarHBondContact N-O 3.36Å; L274-L490 PolarHBondContact O-N 3.35Å; L274-V517 HydrophobicContact CD2-CG1 3.55Å
275	L	92.4	Very high	89.7	Confident	105 Å²	105	31.9 Å²	31.9	55%	0.55	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.9	163.8	-161.5	72.8	0	0	0	108.8	M487 I488 F489	L275-M487 HydrophobicContact CD1-CE 3.54Å; L275-M487 HydrophobicContact CD1-CG 3.54Å; L275-M487 HydrophobicContact CD1-SD 4.34Å; L275-M487 HydrophobicContact CD2-CE 3.7Å; L275-M487 HydrophobicContact CD2-CG 3.96Å; L275-M487 HydrophobicContact CD2-SD 4.22Å; L275-M487 HydrophobicContact CG-CE 4.23Å; L275-M487 HydrophobicContact CG-CG 3.94Å; L275-I488 WeakPolarHBondContact CA-O 3.18Å; L275-F489 HydrophobicContact CD1-CB 4.35Å
276	T	92.9	Very high	90.3	Very high	4 Å²	4	30.9 Å²	30.9	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	164.9	-179.9	-167	0	0	0	0	111.4	T457 E458 D459 I488 L490	T276-T457 HydrophobicContact CG2-CG2 4.21Å; T276-E458 WeakPolarHBondContact OG1-CB 3.36Å; T276-E458 PolarHBondContact OG1-N 3.01Å; T276-E458 VanDerWaalsContact OG1-N 3.13Å; T276-D459 PolarHBondContact OG1-N 3.42Å; T276-I488 HydrophobicContact CG2-CD1 3.74Å; T276-I488 HydrophobicContact CG2-CG1 3.51Å; T276-I488 PolarHBondContact N-O 2.86Å; T276-I488 VanDerWaalsContact O-CG1 3.24Å; T276-I488 WeakPolarHBondContact O-CG1 3.46Å; T276-I488 PolarHBondContact O-N 3.3Å; T276-L490 HydrophobicContact CG2-CD1 3.9Å; T276-L490 HydrophobicContact CG2-CG 4.04Å
277	S	94.3	Very high	90.6	Very high	11 Å²	11	31.6 Å²	31.6	8%	0.077	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	154.8	170.2	52.3	0	0	0	0	110.1	T457 E458 Y478	S277-T457 CarbonylContact O-C 3.57Å; S277-T457 WeakPolarHBondContact O-CA 3.41Å; S277-E458 PolarHBondContact O-N 3.14Å; S277-E458 PolarHBondContact OG-OE2 2.97Å; S277-E458 VanDerWaalsContact OG-OE2 3.14Å; S277-Y478 WeakPolarHBondContact CB-OH 3.35Å; S277-Y478 PolarHBondContact O-OH 2.86Å; S277-Y478 PolarHBondContact OG-OH 3.05Å
278	Y	93.3	Very high	90.7	Very high	13 Å²	13	31.3 Å²	31.3	5%	0.051	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	103.6	178.1	-176.8	-121	0	0	0	109.7	E412 L416 L455 T457 C483 F484 S485	Y278-E412 PolarHBondContact OH-OE1 3.42Å; Y278-L416 HydrophobicContact CE1-CD1 4.42Å; Y278-L455 HydrophobicContact CE2-CB 3.97Å; Y278-L455 WeakPolarHBondContact OH-CB 3.35Å; Y278-T457 HydrophobicContact CD2-CG2 3.8Å; Y278-C483 WeakPolarHBondContact O-CA 3.26Å; Y278-F484 HydrophobicContact CD1-CB 4.11Å; Y278-F484 HydrophobicContact CD1-CD2 4.07Å; Y278-F484 AromaticContact CE1-CD2 3.9Å; Y278-F484 HydrophobicContact CE1-CD2 3.9Å; Y278-F484 PolarHBondContact O-N 3.31Å; Y278-S485 PolarHBondContact N-O 2.81Å; Y278-S485 PolarHBondContact O-N 2.97Å
279	C	93.7	Very high	90.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	171.4	-168.1	-41.7	0	0	0	0	112.8	V456 Y478 L482 C483	C279-V456 PolarHBondContact N-O 3.13Å; C279-V456 VanDerWaalsContact N-O 3.12Å; C279-V456 PolarHBondContact O-N 2.67Å; C279-V456 VanDerWaalsContact O-N 3.11Å; C279-V456 VanDerWaalsContact O-O 3.07Å; C279-Y478 HydrophobicContact CB-CD2 4.37Å; C279-Y478 HydrophobicContact CB-CE1 4.14Å; C279-Y478 HydrophobicContact CB-CE2 3.63Å; C279-Y478 PolarHBondContact SG-OH 3.34Å; C279-L482 WeakPolarHBondContact CA-O 3.47Å; C279-L482 WeakPolarHBondContact CB-O 3.34Å; C279-C483 HydrophobicContact CB-CB 3.89Å; C279-C483 WeakPolarHBondContact CB-SG 3.44Å; C279-C483 VanDerWaalsContact SG-CA 3.54Å; C279-C483 WeakPolarHBondContact SG-CB 3.32Å; C279-C483 CovalentContact SG-SG 2.02Å; C279-C483 PolarHBondContact SG-SG 3.24Å
280	L	93.1	Very high	90.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128.5	175.5	-77.1	170.8	0	0	0	111.8	V282 F396 I399 T406 L455 S479 L482	L280-V282 HydrophobicContact CB-CG2 3.69Å; L280-F396 HydrophobicContact CD1-CE1 4.28Å; L280-I399 HydrophobicContact CD1-CD1 3.54Å; L280-I399 HydrophobicContact CD1-CG1 4.32Å; L280-T406 HydrophobicContact CD2-CG2 3.49Å; L280-T406 VanDerWaalsContact CD2-CG2 3.49Å; L280-L455 HydrophobicContact CD2-CD2 3.38Å; L280-L455 HydrophobicContact CD2-CG 3.88Å; L280-L455 HydrophobicContact CG-CD2 3.76Å; L280-S479 PolarHBondContact O-N 3.25Å; L280-L482 HydrophobicContact CB-CB 4.05Å; L280-L482 HydrophobicContact CB-CD1 4.47Å; L280-L482 HydrophobicContact CD1-CB 4Å; L280-L482 HydrophobicContact CD1-CD1 4.05Å; L280-L482 HydrophobicContact CG-CB 4.39Å; L280-L482 PolarHBondContact N-O 3.29Å
281	M	94.2	Very high	89.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	105.4	158.9	170.5	177.2	109.8	0	0	108.2	R445 Y454 V456 W461 Y464 F476 Y477	M281-R445 HydrophobicContact CE-CG 4.06Å; M281-Y454 HydrophobicContact CE-CD2 3.52Å; M281-Y454 HydrophobicContact CE-CE2 4.33Å; M281-Y454 HydrophobicContact CE-CG 4Å; M281-Y454 PolarHBondContact N-O 3.21Å; M281-Y454 PolarHBondContact O-N 2.99Å; M281-V456 HydrophobicContact CB-CG1 3.12Å; M281-V456 HydrophobicContact CG-CG1 4.07Å; M281-V456 HydrophobicContact SD-CG1 3.9Å; M281-W461 HydrophobicContact CB-CZ3 4.47Å; M281-W461 HydrophobicContact CG-CE3 4.14Å; M281-W461 HydrophobicContact CG-CZ3 3.72Å; M281-W461 HydrophobicContact SD-CE3 3.95Å; M281-W461 HydrophobicContact SD-CZ3 3.76Å; M281-Y464 HydrophobicContact SD-CD2 3.81Å; M281-Y464 HydrophobicContact SD-CE2 4.12Å; M281-F476 HydrophobicContact CE-CD1 3.96Å; M281-F476 HydrophobicContact CE-CD2 4.31Å; M281-F476 HydrophobicContact CE-CE1 4.19Å; M281-F476 HydrophobicContact CE-CG 4.02Å; M281-F476 HydrophobicContact CE-CZ 4.47Å; M281-F476 HydrophobicContact CG-CB 3.6Å; M281-F476 HydrophobicContact CG-CD1 3.7Å; M281-F476 HydrophobicContact CG-CG 3.87Å; M281-F476 HydrophobicContact SD-CB 4.3Å; M281-F476 HydrophobicContact SD-CG 4.42Å; M281-Y477 WeakPolarHBondContact CA-O 3.08Å
282	V	92.4	Very high	89.3	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	146.3	-172.6	-174.5	0	0	0	0	108.8	L280 L402 N453 F476 Y477 L482	L280-V282 HydrophobicContact CB-CG2 3.69Å; V282-L402 HydrophobicContact CG1-CD2 4.21Å; V282-N453 WeakPolarHBondContact CA-OD1 3.39Å; V282-F476 CarbonylContact O-C 3.56Å; V282-F476 WeakPolarHBondContact O-CA 3.35Å; V282-F476 WeakPolarHBondContact O-CB 3.45Å; V282-Y477 HydrophobicContact CB-CD1 4.31Å; V282-Y477 HydrophobicContact CB-CE1 3.71Å; V282-Y477 HydrophobicContact CG1-CE1 3.89Å; V282-Y477 PolarHBondContact N-O 3.5Å; V282-Y477 VanDerWaalsContact O-CD1 3.31Å; V282-Y477 WeakPolarHBondContact O-CD1 3.32Å; V282-Y477 PolarHBondContact O-N 3.16Å; V282-L482 HydrophobicContact CG2-CD1 4.1Å
283	Q	90.6	Very high	88.9	Confident	28 Å²	28	35.1 Å²	35.1	13%	0.131	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	142.2	174.7	-65.7	172.8	29.7	0	0	111.1	H404 L450 Y452 N453 L475 F476 Y477	Q283-H404 PolarHBondContact NE2-ND1 3.13Å; Q283-H404 PolarHBondContact OE1-CE1 3.03Å; Q283-H404 PolarHBondContact OE1-ND1 3.22Å; Q283-L450 HydrophobicContact CG-CD2 4.47Å; Q283-L450 VanDerWaalsContact NE2-C 3.28Å; Q283-L450 PolarHBondContact NE2-O 2.81Å; Q283-L450 PolarHBondContact OE1-O 2.97Å; Q283-Y452 PolarHBondContact NE2-O 3.2Å; Q283-N453 PolarHBondContact N-OD1 3.44Å; Q283-N453 VanDerWaalsContact N-OD1 3.08Å; Q283-L475 CarbonylContact C-O 3.56Å; Q283-L475 VanDerWaalsContact CA-O 3.32Å; Q283-L475 WeakPolarHBondContact CA-O 3.3Å; Q283-F476 HydrophobicContact CB-CD1 4.43Å; Q283-F476 HydrophobicContact CB-CE1 4.4Å; Q283-F476 HydrophobicContact CG-CD1 3.77Å; Q283-F476 HydrophobicContact CG-CE1 3.3Å; Q283-F476 HydrophobicContact CG-CE2 4.44Å; Q283-F476 HydrophobicContact CG-CZ 3.69Å; Q283-Y477 WeakPolarHBondContact O-CE1 3.39Å
284	V	89.7	Confident	88.4	Confident	52 Å²	52	36.1 Å²	36.1	32%	0.315	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-60.5	130	174.3	175.7	0	0	0	0	108.6	P474 L475 Y477	V284-P474 HydrophobicContact CG2-CB 4.26Å; V284-P474 HydrophobicContact CG2-CG 4.29Å; V284-P474 WeakPolarHBondContact CG2-O 3.45Å; V284-L475 PolarHBondContact N-O 3.37Å; V284-Y477 HydrophobicContact CG2-CD1 4.34Å
285	P	86.8	Confident	87.8	Confident	21 Å²	21	37.1 Å²	37.1	14%	0.136	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-58	142.4	-179.9	-22.6	32.2	0	0	0	111.6	E390	P285-E390 HydrophobicContact CB-CB 3.77Å; P285-E390 VanDerWaalsContact CB-O 3.24Å; P285-E390 WeakPolarHBondContact CB-O 3.45Å
286	A	83.6	Confident	87.4	Confident	52 Å²	52	35 Å²	35	43%	0.43	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-64.3	146.4	177.5	0	0	0	0	0	110.4	E390	A286-E390 PolarHBondContact O-N 2.94Å
287	K	84.8	Confident	86.9	Confident	103 Å²	103	35.7 Å²	35.7	45%	0.448	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-72.6	148.2	169.8	-60.8	-172.8	-175.9	-178.9	0	110.3	D386 P387	K287-D386 WeakPolarHBondContact CE-OD1 3.26Å; K287-D386 IonicContact NZ-OD1 3.04Å; K287-D386 PolarHBondContact NZ-OD1 2.82Å; K287-P387 HydrophobicContact CB-CB 4.39Å; K287-P387 HydrophobicContact CB-CG 3.98Å; K287-P387 HydrophobicContact CD-CG 3.88Å
288	F	83.6	Confident	86.2	Confident	56 Å²	56	37.6 Å²	37.6	25%	0.246	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-61.8	139.6	174.5	-78.1	-73.4	0	0	0	110.6	L296 P388 E390	F288-L296 HydrophobicContact CD1-CD1 4.43Å; F288-L296 HydrophobicContact CD2-CD1 3.73Å; F288-L296 HydrophobicContact CE2-CD1 3.85Å; F288-L296 HydrophobicContact CG-CD1 4.05Å; F288-L296 HydrophobicContact CZ-CD1 4.26Å; F288-P388 HydrophobicContact CD2-CB 4.35Å; F288-P388 HydrophobicContact CD2-CG 4.11Å; F288-P388 VanDerWaalsContact CD2-O 3.24Å; F288-P388 WeakPolarHBondContact CD2-O 3.11Å; F288-P388 PolarHBondContact N-O 3.26Å; F288-E390 HydrophobicContact CE1-CG 4.42Å; F288-E390 HydrophobicContact CZ-CG 4.26Å
289	P	83.1	Confident	85.6	Confident	67 Å²	67	40.6 Å²	40.6	44%	0.435	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-66.4	146.1	174	30.4	-35.9	0	0	0	110.1	N291 L292	P289-N291 VanDerWaalsContact CB-OD1 3.26Å; P289-N291 WeakPolarHBondContact CB-OD1 3.38Å; P289-N291 VanDerWaalsContact CG-OD1 3.23Å; P289-N291 WeakPolarHBondContact CG-OD1 3.49Å; P289-N291 PolarHBondContact O-N 2.79Å; P289-N291 VanDerWaalsContact O-N 3.14Å; P289-L292 HydrophobicContact CG-CB 4.36Å; P289-L292 HydrophobicContact CG-CD1 3.75Å; P289-L292 HydrophobicContact CG-CG 3.99Å; P289-L292 PolarHBondContact O-N 2.81Å
290	Y	82.8	Confident	85.3	Confident	83 Å²	83	45.5 Å²	45.5	33%	0.325	25%	0.253	S	S	.	.	H	α-helix	trans	-60.1	-28	-174.7	-70.2	-66.8	0	0	0	113.5	L292 V293 F384 P387	Y290-L292 PolarHBondContact O-N 2.78Å; Y290-V293 HydrophobicContact CD1-CG2 4.29Å; Y290-V293 WeakPolarHBondContact O-CB 3.37Å; Y290-V293 PolarHBondContact O-N 2.96Å; Y290-F384 AromaticContact CD1-CD1 3.54Å; Y290-F384 HydrophobicContact CD1-CD1 3.54Å; Y290-F384 AromaticContact CD1-CE1 3.88Å; Y290-F384 HydrophobicContact CD1-CE1 3.88Å; Y290-F384 AromaticContact CE1-CD1 3.88Å; Y290-F384 HydrophobicContact CE1-CD1 3.88Å; Y290-F384 HydrophobicContact CG-CD1 4.41Å; Y290-F384 HydrophobicContact CG-CE1 4.43Å; Y290-F384 PolarHBondContact OH-O 3.26Å; Y290-P387 HydrophobicContact CE1-CB 4.36Å; Y290-P387 HydrophobicContact CE1-CG 3.89Å
291	N	81.9	Confident	85	Confident	38 Å²	38	51.7 Å²	51.7	20%	0.203	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-24	175.1	64.6	-7.1	0	0	0	115	P289 D553	P289-N291 VanDerWaalsContact CB-OD1 3.26Å; P289-N291 WeakPolarHBondContact CB-OD1 3.38Å; P289-N291 VanDerWaalsContact CG-OD1 3.23Å; P289-N291 WeakPolarHBondContact CG-OD1 3.49Å; P289-N291 PolarHBondContact O-N 2.79Å; P289-N291 VanDerWaalsContact O-N 3.14Å; N291-D553 VanDerWaalsContact CA-O 3.26Å; N291-D553 WeakPolarHBondContact CA-O 3.44Å
292	L	84	Confident	84.6	Confident	78 Å²	78	53.8 Å²	53.8	41%	0.408	30%	0.298	S	S	.	.	H	α-helix	trans	-93.9	-14.3	178.1	-66.3	179.8	0	0	0	112.9	P289 Y290 Y294 A295 L296	P289-L292 HydrophobicContact CG-CB 4.36Å; P289-L292 HydrophobicContact CG-CD1 3.75Å; P289-L292 HydrophobicContact CG-CG 3.99Å; P289-L292 PolarHBondContact O-N 2.81Å; Y290-L292 PolarHBondContact O-N 2.78Å; L292-Y294 VanDerWaalsContact C-N 3.28Å; L292-Y294 PolarHBondContact O-N 3.41Å; L292-A295 PolarHBondContact O-N 2.86Å; L292-A295 VanDerWaalsContact O-N 3.13Å; L292-L296 PolarHBondContact O-N 3.32Å
293	V	84.9	Confident	84.3	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-56.9	-42.6	-178.2	167.3	0	0	0	0	111.3	Y290 A295 L296 I297 L380 F383	Y290-V293 HydrophobicContact CD1-CG2 4.29Å; Y290-V293 WeakPolarHBondContact O-CB 3.37Å; Y290-V293 PolarHBondContact O-N 2.96Å; V293-A295 VanDerWaalsContact C-N 3.28Å; V293-A295 PolarHBondContact O-N 3.49Å; V293-L296 PolarHBondContact O-N 2.9Å; V293-L296 VanDerWaalsContact O-N 3.16Å; V293-I297 HydrophobicContact CG1-CD1 4.14Å; V293-I297 WeakPolarHBondContact O-CG1 3.24Å; V293-I297 PolarHBondContact O-N 3.45Å; V293-L380 HydrophobicContact CG1-CD1 4.21Å; V293-F383 HydrophobicContact CG1-CB 3.49Å; V293-F383 VanDerWaalsContact CG1-CB 3.49Å; V293-F383 HydrophobicContact CG1-CD2 3.9Å; V293-F383 HydrophobicContact CG1-CG 4.21Å; V293-F383 HydrophobicContact CG2-CB 4.47Å
294	Y	82.1	Confident	84.3	Confident	29 Å²	29	58.5 Å²	58.5	11%	0.114	33%	0.331	C	S	.	.	H	α-helix	trans	-60.8	-34.8	179.9	-62.7	-78.4	0	0	0	113.9	L292 L380 F384 D553 I554 I557	L292-Y294 VanDerWaalsContact C-N 3.28Å; L292-Y294 PolarHBondContact O-N 3.41Å; Y294-L380 HydrophobicContact CD1-CD1 3.78Å; Y294-L380 HydrophobicContact CE1-CD1 3.69Å; Y294-L380 HydrophobicContact CE1-CD2 4.24Å; Y294-F384 HydrophobicContact CE1-CZ 4.17Å; Y294-F384 HydrophobicContact CE2-CZ 4.22Å; Y294-F384 AromaticContact CZ-CZ 3.68Å; Y294-F384 WeakPolarHBondContact OH-CZ 3.42Å; Y294-D553 WeakPolarHBondContact CE2-O 3.47Å; Y294-I554 HydrophobicContact CE2-CG2 4.29Å; Y294-I554 WeakPolarHBondContact OH-CG2 3.41Å; Y294-I557 HydrophobicContact CD1-CD1 3.36Å; Y294-I557 HydrophobicContact CD2-CD1 3.64Å; Y294-I557 HydrophobicContact CD2-CG1 4.35Å; Y294-I557 HydrophobicContact CE1-CD1 3.63Å; Y294-I557 HydrophobicContact CE2-CD1 3.9Å; Y294-I557 HydrophobicContact CG-CD1 3.33Å; Y294-I557 HydrophobicContact CG-CG1 4.18Å
295	A	80.4	Confident	84.3	Confident	35 Å²	35	61.5 Å²	61.5	29%	0.289	34%	0.344	S	S	.	.	H	α-helix	trans	-79.1	-35.2	176.8	0	0	0	0	0	111.6	L292 V293 I297 V298 W556	L292-A295 PolarHBondContact O-N 2.86Å; L292-A295 VanDerWaalsContact O-N 3.13Å; V293-A295 VanDerWaalsContact C-N 3.28Å; V293-A295 PolarHBondContact O-N 3.49Å; A295-I297 VanDerWaalsContact C-N 3.33Å; A295-I297 PolarHBondContact O-N 2.97Å; A295-V298 CarbonylContact O-C 3.56Å; A295-V298 PolarHBondContact O-N 3.46Å; A295-W556 HydrophobicContact CB-CE3 4.34Å; A295-W556 HydrophobicContact CB-CH2 3.77Å; A295-W556 HydrophobicContact CB-CZ2 4.49Å; A295-W556 HydrophobicContact CB-CZ3 3.69Å
296	L	82.6	Confident	84.4	Confident	62 Å²	62	62.6 Å²	62.6	33%	0.325	35%	0.348	S	S	.	.	H	α-helix	trans	-67.5	-31.7	-177.2	-165.9	143.7	0	0	0	112.7	F288 L292 V293 V298 F383 P388	F288-L296 HydrophobicContact CD1-CD1 4.43Å; F288-L296 HydrophobicContact CD2-CD1 3.73Å; F288-L296 HydrophobicContact CE2-CD1 3.85Å; F288-L296 HydrophobicContact CG-CD1 4.05Å; F288-L296 HydrophobicContact CZ-CD1 4.26Å; L292-L296 PolarHBondContact O-N 3.32Å; V293-L296 PolarHBondContact O-N 2.9Å; V293-L296 VanDerWaalsContact O-N 3.16Å; L296-V298 VanDerWaalsContact C-N 3.31Å; L296-F383 HydrophobicContact CD2-CD2 4.27Å; L296-F383 HydrophobicContact CD2-CE2 3.43Å; L296-F383 VanDerWaalsContact CD2-CE2 3.43Å; L296-F383 HydrophobicContact CD2-CZ 3.91Å; L296-P388 HydrophobicContact CD1-CG 4.29Å; L296-P388 HydrophobicContact CD2-CG 3.85Å
297	I	83.3	Confident	84.7	Confident	17 Å²	17	65.1 Å²	65.1	9%	0.087	35%	0.35	C	S	.	.	H	α-helix	trans	-67.6	-33.4	175.7	-61.1	163.9	0	0	0	111.3	V293 A295 D299 Y376 Y379 L380 F383	V293-I297 HydrophobicContact CG1-CD1 4.14Å; V293-I297 WeakPolarHBondContact O-CG1 3.24Å; V293-I297 PolarHBondContact O-N 3.45Å; A295-I297 VanDerWaalsContact C-N 3.33Å; A295-I297 PolarHBondContact O-N 2.97Å; I297-D299 VanDerWaalsContact C-N 3.32Å; I297-D299 PolarHBondContact O-N 3.05Å; I297-Y376 HydrophobicContact CB-CD2 4.25Å; I297-Y376 HydrophobicContact CB-CE2 3.9Å; I297-Y376 HydrophobicContact CD1-CE2 4.26Å; I297-Y376 HydrophobicContact CG2-CD2 3.43Å; I297-Y376 VanDerWaalsContact CG2-CD2 3.43Å; I297-Y376 HydrophobicContact CG2-CE2 3.61Å; I297-Y376 HydrophobicContact CG2-CG 4.38Å; I297-Y379 HydrophobicContact CG2-CG 4.44Å; I297-L380 HydrophobicContact CD1-CB 3.87Å; I297-L380 HydrophobicContact CD1-CD1 3.75Å; I297-L380 HydrophobicContact CD1-CG 4.45Å; I297-F383 HydrophobicContact CD1-CD2 4.02Å; I297-F383 HydrophobicContact CG1-CD2 3.51Å; I297-F383 HydrophobicContact CG1-CE2 3.61Å
298	V	80.3	Confident	85.1	Confident	51 Å²	51	64.1 Å²	64.1	31%	0.309	35%	0.352	S	S	.	.	S	Bend	trans	-95.3	63.4	-178.7	-167.4	0	0	0	0	109.6	A295 L296 L303 Y376	A295-V298 CarbonylContact O-C 3.56Å; A295-V298 PolarHBondContact O-N 3.46Å; L296-V298 VanDerWaalsContact C-N 3.31Å; V298-L303 HydrophobicContact CG1-CB 4.03Å; V298-L303 HydrophobicContact CG1-CD1 3.95Å; V298-L303 HydrophobicContact CG1-CG 4.48Å; V298-Y376 HydrophobicContact CG2-CD2 4.31Å; V298-Y376 HydrophobicContact CG2-CE2 3.76Å
299	D	80.6	Confident	85.3	Confident	77 Å²	77	64.1 Å²	64.1	41%	0.412	35%	0.354	S	S	.	.			trans	-53.3	144	174.8	-176.6	61.1	0	0	0	110.9	I297 L301 V302 L303	I297-D299 VanDerWaalsContact C-N 3.32Å; I297-D299 PolarHBondContact O-N 3.05Å; D299-L301 PolarHBondContact O-N 3.17Å; D299-L301 WeakPolarHBondContact OD2-CB 3.42Å; D299-L301 PolarHBondContact OD2-N 2.97Å; D299-V302 HydrophobicContact CB-CG2 4.17Å; D299-V302 WeakPolarHBondContact O-CA 3.4Å; D299-V302 WeakPolarHBondContact O-CB 3.33Å; D299-V302 PolarHBondContact O-N 3.23Å; D299-L303 PolarHBondContact O-N 3.5Å
300	P	85.8	Confident	85.7	Confident	103 Å²	103	61.7 Å²	61.7	67%	0.669	34%	0.337	S	S	*	.	H	α-helix	trans	-55.4	-29.9	-176.1	-29.6	38	0	0	0	114.2	G304	P300-G304 PolarHBondContact O-N 3.06Å
301	L	86.7	Confident	86.1	Confident	129 Å²	129	60.3 Å²	60.3	68%	0.675	34%	0.335	S	S	*	.	H	α-helix	trans	-67.9	-45	174.1	-64.7	174.8	0	0	0	111.6	D299 G304 I305	D299-L301 PolarHBondContact O-N 3.17Å; D299-L301 WeakPolarHBondContact OD2-CB 3.42Å; D299-L301 PolarHBondContact OD2-N 2.97Å; L301-G304 PolarHBondContact O-N 3.32Å; L301-I305 WeakPolarHBondContact O-CG1 3.25Å; L301-I305 PolarHBondContact O-N 3.04Å
302	V	86.4	Confident	86.5	Confident	44 Å²	44	63.3 Å²	63.3	27%	0.267	35%	0.351	S	S	.	.	H	α-helix	trans	-62.7	-44.8	176.8	179	0	0	0	0	110.1	D299 G304 I305 I306 M375	D299-V302 HydrophobicContact CB-CG2 4.17Å; D299-V302 WeakPolarHBondContact O-CA 3.4Å; D299-V302 WeakPolarHBondContact O-CB 3.33Å; D299-V302 PolarHBondContact O-N 3.23Å; V302-G304 VanDerWaalsContact C-N 3.3Å; V302-G304 PolarHBondContact O-N 3.06Å; V302-I305 PolarHBondContact O-N 2.7Å; V302-I306 HydrophobicContact CG1-CD1 3.88Å; V302-I306 HydrophobicContact CG1-CG1 4.42Å; V302-I306 VanDerWaalsContact O-CG1 3.27Å; V302-I306 WeakPolarHBondContact O-CG1 3.27Å; V302-I306 PolarHBondContact O-N 2.96Å; V302-M375 HydrophobicContact CG1-CE 4.23Å
303	L	87.3	Confident	86.7	Confident	97 Å²	97	60 Å²	60	51%	0.508	33%	0.333	S	S	.	.	H	α-helix	trans	-59.4	-42.4	174.9	-172.2	65.2	0	0	0	111.6	V298 D299 I306 F307	V298-L303 HydrophobicContact CG1-CB 4.03Å; V298-L303 HydrophobicContact CG1-CD1 3.95Å; V298-L303 HydrophobicContact CG1-CG 4.48Å; D299-L303 PolarHBondContact O-N 3.5Å; L303-I306 PolarHBondContact O-N 3.34Å; L303-F307 VanDerWaalsContact O-CB 3.31Å; L303-F307 WeakPolarHBondContact O-CB 3.45Å; L303-F307 PolarHBondContact O-N 3.44Å
304	G	90.3	Very high	86.8	Confident	33 Å²	33	59.9 Å²	59.9	34%	0.34	33%	0.333	S	S	.	.	H	α-helix	trans	-60.5	-43.9	175.1	0	0	0	0	0	112.6	P300 L301 V302 F307 V308	P300-G304 PolarHBondContact O-N 3.06Å; L301-G304 PolarHBondContact O-N 3.32Å; V302-G304 VanDerWaalsContact C-N 3.3Å; V302-G304 PolarHBondContact O-N 3.06Å; G304-F307 PolarHBondContact O-N 3.21Å; G304-V308 VanDerWaalsContact O-CG2 3.31Å; G304-V308 WeakPolarHBondContact O-CG2 3.34Å; G304-V308 PolarHBondContact O-N 3.4Å
305	I	88.9	Confident	87.1	Confident	116 Å²	116	61.2 Å²	61.2	60%	0.595	34%	0.343	S	S	*	.	H	α-helix	trans	-64	-45.7	176.5	-66.9	164.4	0	0	0	110.9	L301 V302 F307 V308 L309	L301-I305 WeakPolarHBondContact O-CG1 3.25Å; L301-I305 PolarHBondContact O-N 3.04Å; V302-I305 PolarHBondContact O-N 2.7Å; I305-F307 VanDerWaalsContact C-N 3.29Å; I305-F307 PolarHBondContact O-N 2.69Å; I305-V308 PolarHBondContact O-N 3.24Å; I305-L309 VanDerWaalsContact O-CB 3.28Å; I305-L309 WeakPolarHBondContact O-CB 3.4Å; I305-L309 PolarHBondContact O-N 2.83Å
306	I	89.1	Confident	87.3	Confident	44 Å²	44	63.7 Å²	63.7	23%	0.226	35%	0.351	C	S	.	.	H	α-helix	trans	-59.7	-42.9	176.6	-67.7	170.2	0	0	0	110.2	V302 L303 L309 F310 L343 L372	V302-I306 HydrophobicContact CG1-CD1 3.88Å; V302-I306 HydrophobicContact CG1-CG1 4.42Å; V302-I306 VanDerWaalsContact O-CG1 3.27Å; V302-I306 WeakPolarHBondContact O-CG1 3.27Å; V302-I306 PolarHBondContact O-N 2.96Å; L303-I306 PolarHBondContact O-N 3.34Å; I306-L309 PolarHBondContact O-N 3.49Å; I306-F310 WeakPolarHBondContact O-CB 3.39Å; I306-F310 PolarHBondContact O-N 3.34Å; I306-L343 HydrophobicContact CG2-CD2 3.86Å; I306-L372 HydrophobicContact CD1-CD1 3.76Å; I306-L372 HydrophobicContact CD1-CG 4.36Å; I306-L372 HydrophobicContact CG1-CD1 3.7Å; I306-L372 HydrophobicContact CG2-CD1 4.06Å
307	F	91	Very high	87.4	Confident	105 Å²	105	60.9 Å²	60.9	46%	0.461	34%	0.336	S	S	.	.	H	α-helix	trans	-65.1	-45.3	178.2	-176.1	-105.9	0	0	0	112.2	L303 G304 I305 L309 F310 L311 L334	L303-F307 VanDerWaalsContact O-CB 3.31Å; L303-F307 WeakPolarHBondContact O-CB 3.45Å; L303-F307 PolarHBondContact O-N 3.44Å; G304-F307 PolarHBondContact O-N 3.21Å; I305-F307 VanDerWaalsContact C-N 3.29Å; I305-F307 PolarHBondContact O-N 2.69Å; F307-L309 PolarHBondContact O-N 3.02Å; F307-F310 WeakPolarHBondContact O-CB 3.39Å; F307-F310 PolarHBondContact O-N 3.37Å; F307-L311 HydrophobicContact CD1-CD1 3.99Å; F307-L311 HydrophobicContact CD1-CG 4.5Å; F307-L311 HydrophobicContact CE1-CD1 3.52Å; F307-L311 HydrophobicContact CE1-CG 4.19Å; F307-L311 HydrophobicContact CZ-CD1 3.96Å; F307-L311 HydrophobicContact CZ-CD2 4.33Å; F307-L311 HydrophobicContact CZ-CG 4.27Å; F307-L311 WeakPolarHBondContact O-CG 3.32Å; F307-L311 PolarHBondContact O-N 3.5Å; F307-L334 HydrophobicContact CE2-CD1 4.07Å; F307-L334 HydrophobicContact CZ-CD1 4.15Å
308	V	91.4	Very high	87.3	Confident	81 Å²	81	61 Å²	61	49%	0.491	34%	0.337	S	S	.	.	H	α-helix	trans	-62.1	-44.2	175.3	170.7	0	0	0	0	110.9	G304 I305 F310 L311 L312	G304-V308 VanDerWaalsContact O-CG2 3.31Å; G304-V308 WeakPolarHBondContact O-CG2 3.34Å; G304-V308 PolarHBondContact O-N 3.4Å; I305-V308 PolarHBondContact O-N 3.24Å; V308-F310 VanDerWaalsContact C-N 3.34Å; V308-F310 PolarHBondContact O-N 3.27Å; V308-L311 PolarHBondContact O-N 3.26Å; V308-L312 HydrophobicContact CG1-CD1 4.02Å; V308-L312 HydrophobicContact CG1-CG 4.4Å; V308-L312 WeakPolarHBondContact O-CG 3.21Å; V308-L312 PolarHBondContact O-N 2.78Å
309	L	89.4	Confident	87.4	Confident	57 Å²	57	64.1 Å²	64.1	30%	0.298	34%	0.344	S	S	.	.	H	α-helix	trans	-61	-43.7	176.5	-179.2	63.4	0	0	0	111.4	I305 I306 F307 L311 L312 L313 L343 A368	I305-L309 VanDerWaalsContact O-CB 3.28Å; I305-L309 WeakPolarHBondContact O-CB 3.4Å; I305-L309 PolarHBondContact O-N 2.83Å; I306-L309 PolarHBondContact O-N 3.49Å; F307-L309 PolarHBondContact O-N 3.02Å; L309-L311 PolarHBondContact O-N 3.16Å; L309-L312 PolarHBondContact O-N 3.07Å; L309-L313 HydrophobicContact CD1-CD1 3.84Å; L309-L313 HydrophobicContact CD1-CG 4.14Å; L309-L313 HydrophobicContact CD2-CD1 4.47Å; L309-L313 HydrophobicContact CG-CD1 3.75Å; L309-L313 HydrophobicContact CG-CG 4.43Å; L309-L313 WeakPolarHBondContact O-CB 3.33Å; L309-L313 VanDerWaalsContact O-CG 3.28Å; L309-L313 WeakPolarHBondContact O-CG 3.39Å; L309-L313 PolarHBondContact O-N 3.23Å; L309-L343 HydrophobicContact CD2-CD1 3.96Å; L309-A368 HydrophobicContact CD2-CB 4.26Å
310	F	91.3	Very high	87.2	Confident	16 Å²	16	61.2 Å²	61.2	7%	0.07	33%	0.33	C	S	.	.	H	α-helix	trans	-58.3	-46	174.3	166.5	-102.6	0	0	0	111.8	I306 F307 V308 S314 L334 S339 L340 L343	I306-F310 WeakPolarHBondContact O-CB 3.39Å; I306-F310 PolarHBondContact O-N 3.34Å; F307-F310 WeakPolarHBondContact O-CB 3.39Å; F307-F310 PolarHBondContact O-N 3.37Å; V308-F310 VanDerWaalsContact C-N 3.34Å; V308-F310 PolarHBondContact O-N 3.27Å; F310-S314 WeakPolarHBondContact CE2-OG 3.48Å; F310-S314 VanDerWaalsContact O-CB 3.22Å; F310-S314 WeakPolarHBondContact O-CB 3.2Å; F310-S314 PolarHBondContact O-N 3.09Å; F310-S314 PolarHBondContact O-OG 2.81Å; F310-L334 WeakPolarHBondContact CZ-O 3.44Å; F310-S339 PolarHBondContact O-OG 2.9Å; F310-L340 HydrophobicContact CD2-CB 4.46Å; F310-L340 HydrophobicContact CE2-CB 3.79Å; F310-L340 HydrophobicContact CE2-CD1 4.36Å; F310-L343 HydrophobicContact CB-CD2 4.01Å
311	L	90.7	Very high	86.6	Confident	53 Å²	53	59.8 Å²	59.8	28%	0.277	31%	0.314	S	S	.	.	H	α-helix	trans	-63.2	-46.1	177.6	-69.3	178.4	0	0	0	111.7	F307 V308 L309 S314 V315 I333	F307-L311 HydrophobicContact CD1-CD1 3.99Å; F307-L311 HydrophobicContact CD1-CG 4.5Å; F307-L311 HydrophobicContact CE1-CD1 3.52Å; F307-L311 HydrophobicContact CE1-CG 4.19Å; F307-L311 HydrophobicContact CZ-CD1 3.96Å; F307-L311 HydrophobicContact CZ-CD2 4.33Å; F307-L311 HydrophobicContact CZ-CG 4.27Å; F307-L311 WeakPolarHBondContact O-CG 3.32Å; F307-L311 PolarHBondContact O-N 3.5Å; V308-L311 PolarHBondContact O-N 3.26Å; L309-L311 PolarHBondContact O-N 3.16Å; L311-S314 PolarHBondContact O-N 3.44Å; L311-V315 VanDerWaalsContact O-CG2 3.32Å; L311-V315 WeakPolarHBondContact O-CG2 3.34Å; L311-V315 PolarHBondContact O-N 3.08Å; L311-I333 HydrophobicContact CD2-CG2 3.82Å
312	L	90.1	Very high	85.8	Confident	102 Å²	102	59.8 Å²	59.8	53%	0.534	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-47.7	178.6	-71.7	173.8	0	0	0	111.7	V308 L309 S314 V315 L316	V308-L312 HydrophobicContact CG1-CD1 4.02Å; V308-L312 HydrophobicContact CG1-CG 4.4Å; V308-L312 WeakPolarHBondContact O-CG 3.21Å; V308-L312 PolarHBondContact O-N 2.78Å; L309-L312 PolarHBondContact O-N 3.07Å; L312-S314 VanDerWaalsContact C-N 3.33Å; L312-S314 PolarHBondContact O-N 3.34Å; L312-V315 PolarHBondContact O-N 2.94Å; L312-L316 WeakPolarHBondContact O-CB 3.18Å; L312-L316 VanDerWaalsContact O-CG 3.28Å; L312-L316 WeakPolarHBondContact O-CG 3.48Å; L312-L316 PolarHBondContact O-N 3.33Å
313	L	87.6	Confident	84.5	Confident	7 Å²	7	63.6 Å²	63.6	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-65.4	-37.8	178.2	-69.7	168.4	0	0	0	111.6	L309 L316 L317 L343 I364 L365	L309-L313 HydrophobicContact CD1-CD1 3.84Å; L309-L313 HydrophobicContact CD1-CG 4.14Å; L309-L313 HydrophobicContact CD2-CD1 4.47Å; L309-L313 HydrophobicContact CG-CD1 3.75Å; L309-L313 HydrophobicContact CG-CG 4.43Å; L309-L313 WeakPolarHBondContact O-CB 3.33Å; L309-L313 VanDerWaalsContact O-CG 3.28Å; L309-L313 WeakPolarHBondContact O-CG 3.39Å; L309-L313 PolarHBondContact O-N 3.23Å; L313-L316 PolarHBondContact O-N 3.02Å; L313-L317 VanDerWaalsContact O-CB 3.22Å; L313-L317 WeakPolarHBondContact O-CB 3.46Å; L313-L317 PolarHBondContact O-N 3.44Å; L313-L343 HydrophobicContact CD1-CD1 4.46Å; L313-I364 HydrophobicContact CD2-CG2 4.26Å; L313-L365 HydrophobicContact CD1-CD1 3.73Å
314	S	88.4	Confident	83.1	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-44.3	176.1	-66.6	0	0	0	0	112	F310 L311 L312 L317 I318 S339	F310-S314 WeakPolarHBondContact CE2-OG 3.48Å; F310-S314 VanDerWaalsContact O-CB 3.22Å; F310-S314 WeakPolarHBondContact O-CB 3.2Å; F310-S314 PolarHBondContact O-N 3.09Å; F310-S314 PolarHBondContact O-OG 2.81Å; L311-S314 PolarHBondContact O-N 3.44Å; L312-S314 VanDerWaalsContact C-N 3.33Å; L312-S314 PolarHBondContact O-N 3.34Å; S314-L317 PolarHBondContact O-N 3.27Å; S314-I318 WeakPolarHBondContact O-CD1 3.44Å; S314-I318 VanDerWaalsContact O-CG1 3.28Å; S314-I318 WeakPolarHBondContact O-CG1 3.46Å; S314-I318 PolarHBondContact O-N 2.88Å; S314-S339 WeakPolarHBondContact OG-CB 3.45Å; S314-S339 PolarHBondContact OG-OG 3.46Å
315	V	87	Confident	81.6	Confident	56 Å²	56	63.6 Å²	63.6	34%	0.339	33%	0.327	S	S	.	.	H	α-helix	trans	-63.4	-47.6	175.5	170.9	0	0	0	0	110.9	L311 L312 L317 I318 Y319 L328 I333	L311-V315 VanDerWaalsContact O-CG2 3.32Å; L311-V315 WeakPolarHBondContact O-CG2 3.34Å; L311-V315 PolarHBondContact O-N 3.08Å; L312-V315 PolarHBondContact O-N 2.94Å; V315-L317 VanDerWaalsContact C-N 3.32Å; V315-L317 PolarHBondContact O-N 3.45Å; V315-I318 PolarHBondContact O-N 2.84Å; V315-Y319 VanDerWaalsContact O-CB 3.25Å; V315-Y319 WeakPolarHBondContact O-CB 3.41Å; V315-Y319 PolarHBondContact O-N 3.46Å; V315-L328 HydrophobicContact CG1-CD2 4.2Å; V315-L328 HydrophobicContact CG2-CD2 4.4Å; V315-I333 HydrophobicContact CG2-CD1 4.04Å; V315-I333 HydrophobicContact CG2-CG1 4.28Å; V315-I333 HydrophobicContact CG2-CG2 4.04Å
316	L	85.3	Confident	80.2	Confident	87 Å²	87	69.1 Å²	69.1	46%	0.455	34%	0.34	S	S	.	.	H	α-helix	trans	-60.2	-41.5	179	-75.6	168.7	0	0	0	112.2	L312 L313 S320 I361	L312-L316 WeakPolarHBondContact O-CB 3.18Å; L312-L316 VanDerWaalsContact O-CG 3.28Å; L312-L316 WeakPolarHBondContact O-CG 3.48Å; L312-L316 PolarHBondContact O-N 3.33Å; L313-L316 PolarHBondContact O-N 3.02Å; L316-S320 WeakPolarHBondContact O-CB 3.02Å; L316-S320 PolarHBondContact O-N 3.16Å; L316-I361 HydrophobicContact CB-CD1 4.25Å
317	L	84.1	Confident	78.9	Confident	3 Å²	3	69.9 Å²	69.9	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-69	-44.7	-179.2	-165.2	161.2	0	0	0	111.5	L313 S314 V315 S320 Q321 K338 F362	L313-L317 VanDerWaalsContact O-CB 3.22Å; L313-L317 WeakPolarHBondContact O-CB 3.46Å; L313-L317 PolarHBondContact O-N 3.44Å; S314-L317 PolarHBondContact O-N 3.27Å; V315-L317 VanDerWaalsContact C-N 3.32Å; V315-L317 PolarHBondContact O-N 3.45Å; L317-S320 PolarHBondContact O-N 3.13Å; L317-Q321 VanDerWaalsContact CD2-CD 3.48Å; L317-Q321 HydrophobicContact CD2-CG 4.29Å; L317-Q321 VanDerWaalsContact CD2-NE2 3.32Å; L317-Q321 WeakPolarHBondContact O-CB 3.49Å; L317-Q321 WeakPolarHBondContact O-CG 3.5Å; L317-Q321 PolarHBondContact O-N 2.98Å; L317-Q321 VanDerWaalsContact O-N 3.1Å; L317-K338 HydrophobicContact CD1-CB 4.16Å; L317-K338 HydrophobicContact CD2-CD 4.34Å; L317-F362 HydrophobicContact CD1-CE1 3.94Å; L317-F362 HydrophobicContact CD1-CZ 4.34Å
318	I	82.5	Confident	77.8	Confident	20 Å²	20	67.7 Å²	67.7	10%	0.103	34%	0.338	C	S	.	.	H	α-helix	trans	-62.6	-48.4	176.3	-69.1	163.3	0	0	0	110.5	S314 V315 S320 Q321 K322 L328 N332 I333	S314-I318 WeakPolarHBondContact O-CD1 3.44Å; S314-I318 VanDerWaalsContact O-CG1 3.28Å; S314-I318 WeakPolarHBondContact O-CG1 3.46Å; S314-I318 PolarHBondContact O-N 2.88Å; V315-I318 PolarHBondContact O-N 2.84Å; I318-S320 PolarHBondContact O-N 3.47Å; I318-Q321 PolarHBondContact O-N 3.42Å; I318-K322 PolarHBondContact O-N 3.33Å; I318-L328 HydrophobicContact CG2-CD2 4.27Å; I318-N332 HydrophobicContact CD1-CB 4.32Å; I318-I333 HydrophobicContact CD1-CG1 4Å
319	Y	80.6	Confident	77.3	Confident	117 Å²	117	66.7 Å²	66.7	46%	0.459	33%	0.334	S	S	.	.	H	α-helix	trans	-60	-45.9	179.2	-178.9	-101.2	0	0	0	111.8	V315 Q321 M323	V315-Y319 VanDerWaalsContact O-CB 3.25Å; V315-Y319 WeakPolarHBondContact O-CB 3.41Å; V315-Y319 PolarHBondContact O-N 3.46Å; Y319-Q321 PolarHBondContact O-N 3.08Å; Y319-M323 WeakPolarHBondContact O-CA 3.48Å; Y319-M323 PolarHBondContact O-N 2.88Å
320	S	77.4	Confident	76.7	Confident	15 Å²	15	69.5 Å²	69.5	11%	0.105	35%	0.354	C	S	.	.	H	α-helix	trans	-72.3	-23.2	-177.8	-174.8	0	0	0	0	114.2	L316 L317 I318	L316-S320 WeakPolarHBondContact O-CB 3.02Å; L316-S320 PolarHBondContact O-N 3.16Å; L317-S320 PolarHBondContact O-N 3.13Å; I318-S320 PolarHBondContact O-N 3.47Å
321	Q	73.3	Confident	76.1	Confident	74 Å²	74	71.3 Å²	71.3	35%	0.346	37%	0.371	S	S	.	.	H	α-helix	trans	-83	-37	178.5	-79.1	-178.3	-1	0	0	112.9	L317 I318 Y319 L358	L317-Q321 VanDerWaalsContact CD2-CD 3.48Å; L317-Q321 HydrophobicContact CD2-CG 4.29Å; L317-Q321 VanDerWaalsContact CD2-NE2 3.32Å; L317-Q321 WeakPolarHBondContact O-CB 3.49Å; L317-Q321 WeakPolarHBondContact O-CG 3.5Å; L317-Q321 PolarHBondContact O-N 2.98Å; L317-Q321 VanDerWaalsContact O-N 3.1Å; I318-Q321 PolarHBondContact O-N 3.42Å; Y319-Q321 PolarHBondContact O-N 3.08Å; Q321-L358 HydrophobicContact CG-CD1 3.91Å; Q321-L358 HydrophobicContact CG-CD2 4.04Å
322	K	69	Low	75.6	Confident	129 Å²	129	72.8 Å²	72.8	56%	0.561	38%	0.38	S	S	*	.	H	α-helix	trans	-113	-7.4	-173	-64.3	-168.1	-176.8	-172.3	0	115.1	I318 S324 D327	I318-K322 PolarHBondContact O-N 3.33Å; K322-S324 PolarHBondContact O-N 2.83Å; K322-D327 HydrophobicContact CD-CB 4.43Å; K322-D327 WeakPolarHBondContact CD-OD2 3.41Å; K322-D327 WeakPolarHBondContact CE-OD2 3.43Å; K322-D327 IonicContact NZ-OD2 3.77Å; K322-D327 PolarHBondContact NZ-OD2 3.33Å
323	M	59.8	Low	75.3	Confident	123 Å²	123	69.2 Å²	69.2	61%	0.606	36%	0.361	S	S	*	.	S	Bend	trans	49.5	32.7	179.1	-76.8	-75.8	-168.7	0	0	113.4	Y319	Y319-M323 WeakPolarHBondContact O-CA 3.48Å; Y319-M323 PolarHBondContact O-N 2.88Å
324	S	58.5	Low	75.1	Confident	47 Å²	47	73.1 Å²	73.1	33%	0.329	38%	0.381	S	S	.	.			trans	-150.7	131.4	-177.7	178.4	0	0	0	0	110.4	K322 R326	K322-S324 PolarHBondContact O-N 2.83Å; S324-R326 PolarHBondContact O-N 2.9Å; S324-R326 PolarHBondContact OG-N 2.97Å
325	C	58.6	Low	74.8	Confident	83 Å²	83	79.8 Å²	79.8	56%	0.561	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-76.9	-4.2	177.1	-69.5	0	0	0	0	113.9	D327 L328	C325-D327 VanDerWaalsContact C-N 3.26Å; C325-D327 PolarHBondContact O-N 3.1Å; C325-L328 HydrophobicContact CB-CD1 3.95Å; C325-L328 PolarHBondContact O-N 2.91Å
326	R	59.5	Low	74.8	Confident	232 Å²	232	77.9 Å²	77.9	88%	0.875	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-70.4	-18.4	-175.3	-72.9	-176.9	175.7	173.8	-1.2	114.3	S324	S324-R326 PolarHBondContact O-N 2.9Å; S324-R326 PolarHBondContact OG-N 2.97Å
327	D	61.9	Low	74.8	Confident	60 Å²	60	77.1 Å²	77.1	32%	0.321	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-100	6.4	-177.6	-78.3	-0.6	0	0	0	114	K322 C325 S329 N332	K322-D327 HydrophobicContact CD-CB 4.43Å; K322-D327 WeakPolarHBondContact CD-OD2 3.41Å; K322-D327 WeakPolarHBondContact CE-OD2 3.43Å; K322-D327 IonicContact NZ-OD2 3.77Å; K322-D327 PolarHBondContact NZ-OD2 3.33Å; C325-D327 VanDerWaalsContact C-N 3.26Å; C325-D327 PolarHBondContact O-N 3.1Å; D327-S329 PolarHBondContact O-N 3.07Å; D327-N332 PolarHBondContact O-ND2 2.97Å; D327-N332 VanDerWaalsContact O-ND2 3.13Å
328	L	68.1	Low	74.9	Confident	59 Å²	59	80.1 Å²	80.1	31%	0.309	41%	0.413	S	S	.	.			trans	-74.4	60.2	174.5	-72.1	163.2	0	0	0	110.8	V315 I318 C325 I333	V315-L328 HydrophobicContact CG1-CD2 4.2Å; V315-L328 HydrophobicContact CG2-CD2 4.4Å; I318-L328 HydrophobicContact CG2-CD2 4.27Å; C325-L328 HydrophobicContact CB-CD1 3.95Å; C325-L328 PolarHBondContact O-N 2.91Å; L328-I333 HydrophobicContact CB-CD1 4.33Å; L328-I333 HydrophobicContact CD2-CD1 3.83Å; L328-I333 HydrophobicContact CD2-CG1 4.16Å
329	S	79.3	Confident	75.1	Confident	60 Å²	60	79.1 Å²	79.1	42%	0.42	41%	0.408	S	S	.	.			trans	-74.2	141.3	165.5	176.7	0	0	0	0	109.4	D327 A331 N332 I333	D327-S329 PolarHBondContact O-N 3.07Å; S329-A331 PolarHBondContact O-N 2.88Å; S329-A331 PolarHBondContact OG-N 3.11Å; S329-N332 PolarHBondContact O-N 3.43Å; S329-I333 PolarHBondContact O-N 2.86Å; S329-I333 VanDerWaalsContact O-N 3.14Å
330	V	77.6	Confident	75.4	Confident	117 Å²	117	77.7 Å²	77.7	71%	0.709	41%	0.408	S	S	*	.	H	α-helix	trans	-53.8	-38.2	175.9	179.6	0	0	0	0	110.9	I333 L334	V330-I333 PolarHBondContact O-N 2.93Å; V330-L334 WeakPolarHBondContact O-CB 3.37Å; V330-L334 PolarHBondContact O-N 3.02Å
331	A	79.4	Confident	75.9	Confident	53 Å²	53	81.5 Å²	81.5	44%	0.438	42%	0.42	S	S	.	.	H	α-helix	trans	-64.2	-40.9	177.4	0	0	0	0	0	112.6	S329 I333 L335	S329-A331 PolarHBondContact O-N 2.88Å; S329-A331 PolarHBondContact OG-N 3.11Å; A331-I333 VanDerWaalsContact C-N 3.34Å; A331-I333 PolarHBondContact O-N 3.36Å; A331-L335 VanDerWaalsContact O-CB 3.27Å; A331-L335 WeakPolarHBondContact O-CB 3.39Å; A331-L335 PolarHBondContact O-N 2.87Å
332	N	80.2	Confident	76.6	Confident	85 Å²	85	78.2 Å²	78.2	46%	0.455	41%	0.406	S	S	.	.	H	α-helix	trans	-69.8	-32	179.7	-70.5	-16.4	0	0	0	112.4	I318 D327 S329 N336	I318-N332 HydrophobicContact CD1-CB 4.32Å; D327-N332 PolarHBondContact O-ND2 2.97Å; D327-N332 VanDerWaalsContact O-ND2 3.13Å; S329-N332 PolarHBondContact O-N 3.43Å; N332-N336 WeakPolarHBondContact O-CB 3.4Å
333	I	83.1	Confident	77.5	Confident	27 Å²	27	72.4 Å²	72.4	14%	0.138	38%	0.381	C	S	.	.	H	α-helix	trans	-75.1	-45.7	177.4	-62.6	166.9	0	0	0	110	L311 V315 I318 L328 S329 V330 A331	L311-I333 HydrophobicContact CD2-CG2 3.82Å; V315-I333 HydrophobicContact CG2-CD1 4.04Å; V315-I333 HydrophobicContact CG2-CG1 4.28Å; V315-I333 HydrophobicContact CG2-CG2 4.04Å; I318-I333 HydrophobicContact CD1-CG1 4Å; L328-I333 HydrophobicContact CB-CD1 4.33Å; L328-I333 HydrophobicContact CD2-CD1 3.83Å; L328-I333 HydrophobicContact CD2-CG1 4.16Å; S329-I333 PolarHBondContact O-N 2.86Å; S329-I333 VanDerWaalsContact O-N 3.14Å; V330-I333 PolarHBondContact O-N 2.93Å; A331-I333 VanDerWaalsContact C-N 3.34Å; A331-I333 PolarHBondContact O-N 3.36Å
334	L	83.3	Confident	78.9	Confident	88 Å²	88	71 Å²	71	46%	0.461	38%	0.376	S	S	.	.	H	α-helix	trans	-73.1	-34.1	-176.7	-167.9	69.4	0	0	0	112.8	F307 F310 V330	F307-L334 HydrophobicContact CE2-CD1 4.07Å; F307-L334 HydrophobicContact CZ-CD1 4.15Å; F310-L334 WeakPolarHBondContact CZ-O 3.44Å; V330-L334 WeakPolarHBondContact O-CB 3.37Å; V330-L334 PolarHBondContact O-N 3.02Å
335	L	82.4	Confident	80.1	Confident	141 Å²	141	71.2 Å²	71.2	74%	0.738	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	29.1	-179.5	-59.2	173	0	0	0	112.7	A331 D337	A331-L335 VanDerWaalsContact O-CB 3.27Å; A331-L335 WeakPolarHBondContact O-CB 3.39Å; A331-L335 PolarHBondContact O-N 2.87Å; L335-D337 PolarHBondContact O-N 3.02Å
336	N	86.6	Confident	81.6	Confident	16 Å²	16	72.5 Å²	72.5	9%	0.086	38%	0.383	C	S	.	.			trans	-73.6	90.9	178	-169.1	-17.6	0	0	0	111.5	N332 K338 S339 L340	N332-N336 WeakPolarHBondContact O-CB 3.4Å; N336-K338 VanDerWaalsContact C-N 3.27Å; N336-K338 PolarHBondContact O-N 3.45Å; N336-K338 PolarHBondContact OD1-N 3.04Å; N336-S339 PolarHBondContact O-N 3.33Å; N336-S339 PolarHBondContact OD1-N 3.12Å; N336-L340 PolarHBondContact O-N 3.29Å
337	D	84.9	Confident	82.9	Confident	71 Å²	71	66.8 Å²	66.8	38%	0.38	38%	0.378	S	S	.	.	H	α-helix	trans	-53.3	-39.3	179.8	179.8	72.6	0	0	0	113.3	L335 L340 R341	L335-D337 PolarHBondContact O-N 3.02Å; D337-L340 PolarHBondContact O-N 3.15Å; D337-R341 WeakPolarHBondContact O-CB 3.49Å; D337-R341 VanDerWaalsContact O-CG 3.3Å; D337-R341 WeakPolarHBondContact O-CG 3.39Å; D337-R341 PolarHBondContact O-N 3.13Å; D337-R341 IonicContact OD1-CZ 3.65Å; D337-R341 IonicContact OD1-NE 3.57Å; D337-R341 PolarHBondContact OD1-NE 3.16Å; D337-R341 IonicContact OD1-NH2 3.98Å; D337-R341 PolarHBondContact OD1-NH2 3.18Å; D337-R341 IonicContact OD2-CZ 2.68Å; D337-R341 IonicContact OD2-NE 3.36Å; D337-R341 PolarHBondContact OD2-NE 3.4Å; D337-R341 IonicContact OD2-NH1 3.55Å; D337-R341 IonicContact OD2-NH2 3.83Å; D337-R341 PolarHBondContact OD2-NH2 3.32Å
338	K	85.9	Confident	83.9	Confident	65 Å²	65	66.3 Å²	66.3	28%	0.283	37%	0.374	S	S	.	.	H	α-helix	trans	-67	-41.8	-179.3	-64.7	177.4	-176.2	172.8	0	112.2	L317 N336 G342	L317-K338 HydrophobicContact CD1-CB 4.16Å; L317-K338 HydrophobicContact CD2-CD 4.34Å; N336-K338 VanDerWaalsContact C-N 3.27Å; N336-K338 PolarHBondContact O-N 3.45Å; N336-K338 PolarHBondContact OD1-N 3.04Å; K338-G342 PolarHBondContact O-N 3.24Å
339	S	86.6	Confident	84.6	Confident	0 Å²	0	68 Å²	68	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-69.4	-42.2	178.6	-172.9	0	0	0	0	110.9	F310 S314 N336 G342 L343	F310-S339 PolarHBondContact O-OG 2.9Å; S314-S339 WeakPolarHBondContact OG-CB 3.45Å; S314-S339 PolarHBondContact OG-OG 3.46Å; N336-S339 PolarHBondContact O-N 3.33Å; N336-S339 PolarHBondContact OD1-N 3.12Å; S339-G342 PolarHBondContact O-N 3.08Å; S339-L343 WeakPolarHBondContact O-CB 3.42Å; S339-L343 PolarHBondContact O-N 3.22Å
340	L	87.4	Confident	84.7	Confident	86 Å²	86	70.3 Å²	70.3	45%	0.45	39%	0.391	S	S	.	.	H	α-helix	trans	-65.6	-51.7	179.8	-175.7	63	0	0	0	111.6	F310 N336 D337 G342 L343 L344	F310-L340 HydrophobicContact CD2-CB 4.46Å; F310-L340 HydrophobicContact CE2-CB 3.79Å; F310-L340 HydrophobicContact CE2-CD1 4.36Å; N336-L340 PolarHBondContact O-N 3.29Å; D337-L340 PolarHBondContact O-N 3.15Å; L340-G342 VanDerWaalsContact C-N 3.31Å; L340-G342 PolarHBondContact O-N 2.98Å; L340-L343 PolarHBondContact O-N 3.27Å; L340-L344 HydrophobicContact CD1-CD1 4.15Å; L340-L344 HydrophobicContact CG-CD1 4.15Å; L340-L344 WeakPolarHBondContact O-CB 3.32Å; L340-L344 WeakPolarHBondContact O-CG 3.38Å; L340-L344 PolarHBondContact O-N 3.11Å
341	R	88.9	Confident	84.8	Confident	96 Å²	96	66.7 Å²	66.7	36%	0.362	37%	0.37	S	S	.	.	H	α-helix	trans	-59.7	-43.7	176.2	-71.6	-173.9	-164.5	-168.4	9.5	111.4	D337 L344 G345 Q346 F348	D337-R341 WeakPolarHBondContact O-CB 3.49Å; D337-R341 VanDerWaalsContact O-CG 3.3Å; D337-R341 WeakPolarHBondContact O-CG 3.39Å; D337-R341 PolarHBondContact O-N 3.13Å; D337-R341 IonicContact OD1-CZ 3.65Å; D337-R341 IonicContact OD1-NE 3.57Å; D337-R341 PolarHBondContact OD1-NE 3.16Å; D337-R341 IonicContact OD1-NH2 3.98Å; D337-R341 PolarHBondContact OD1-NH2 3.18Å; D337-R341 IonicContact OD2-CZ 2.68Å; D337-R341 IonicContact OD2-NE 3.36Å; D337-R341 PolarHBondContact OD2-NE 3.4Å; D337-R341 IonicContact OD2-NH1 3.55Å; D337-R341 IonicContact OD2-NH2 3.83Å; D337-R341 PolarHBondContact OD2-NH2 3.32Å; R341-L344 CarbonylContact O-C 3.56Å; R341-L344 PolarHBondContact O-N 3.38Å; R341-G345 PolarHBondContact O-N 3.33Å; R341-G345 VanDerWaalsContact O-N 3.11Å; R341-Q346 HydrophobicContact CB-CB 3.96Å; R341-Q346 HydrophobicContact CG-CB 4.34Å; R341-Q346 PolarHBondContact O-N 2.85Å; R341-F348 HydrophobicContact CB-CB 4.41Å; R341-F348 HydrophobicContact CB-CD1 4.39Å
342	G	88.1	Confident	84.7	Confident	5 Å²	5	72.2 Å²	72.2	5%	0.052	39%	0.391	C	S	.	.	H	α-helix	trans	-64.7	-40.1	180	0	0	0	0	0	113.3	K338 S339 L340 G345 F348 S369	K338-G342 PolarHBondContact O-N 3.24Å; S339-G342 PolarHBondContact O-N 3.08Å; L340-G342 VanDerWaalsContact C-N 3.31Å; L340-G342 PolarHBondContact O-N 2.98Å; G342-G345 PolarHBondContact O-N 2.92Å; G342-F348 VanDerWaalsContact CA-CE1 3.46Å; G342-S369 WeakPolarHBondContact O-CB 3.48Å; G342-S369 PolarHBondContact O-OG 3.29Å
343	L	88.3	Confident	84.5	Confident	6 Å²	6	75.9 Å²	75.9	3%	0.031	41%	0.411	C	S	.	.	H	α-helix	trans	-67.4	-38.2	176.4	-170.4	64.2	0	0	0	111.7	I306 L309 F310 L313 S339 L340 G345 L365 A368 S369 L372	I306-L343 HydrophobicContact CG2-CD2 3.86Å; L309-L343 HydrophobicContact CD2-CD1 3.96Å; F310-L343 HydrophobicContact CB-CD2 4.01Å; L313-L343 HydrophobicContact CD1-CD1 4.46Å; S339-L343 WeakPolarHBondContact O-CB 3.42Å; S339-L343 PolarHBondContact O-N 3.22Å; L340-L343 PolarHBondContact O-N 3.27Å; L343-G345 PolarHBondContact O-N 3.34Å; L343-L365 HydrophobicContact CB-CD1 4.46Å; L343-A368 HydrophobicContact CD1-CB 4.33Å; L343-S369 WeakPolarHBondContact O-CB 3.38Å; L343-S369 PolarHBondContact O-OG 3.2Å; L343-L372 HydrophobicContact CD1-CD1 4.15Å; L343-L372 HydrophobicContact CG-CD1 4.15Å
344	L	87.3	Confident	84.3	Confident	95 Å²	95	75 Å²	75	50%	0.497	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-0.4	175.7	-67.5	174.8	0	0	0	114.3	L340 R341 Q346	L340-L344 HydrophobicContact CD1-CD1 4.15Å; L340-L344 HydrophobicContact CG-CD1 4.15Å; L340-L344 WeakPolarHBondContact O-CB 3.32Å; L340-L344 WeakPolarHBondContact O-CG 3.38Å; L340-L344 PolarHBondContact O-N 3.11Å; R341-L344 CarbonylContact O-C 3.56Å; R341-L344 PolarHBondContact O-N 3.38Å; L344-Q346 VanDerWaalsContact C-N 3.3Å; L344-Q346 HydrophobicContact CB-CG 4.37Å; L344-Q346 PolarHBondContact O-N 3.35Å
345	G	85.5	Confident	84.3	Confident	51 Å²	51	73.4 Å²	73.4	53%	0.526	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	16.6	178.8	0	0	0	0	0	114.2	R341 G342 L343 S369	R341-G345 PolarHBondContact O-N 3.33Å; R341-G345 VanDerWaalsContact O-N 3.11Å; G342-G345 PolarHBondContact O-N 2.92Å; L343-G345 PolarHBondContact O-N 3.34Å; G345-S369 WeakPolarHBondContact CA-OG 3.23Å; G345-S369 PolarHBondContact N-OG 3.48Å
346	Q	88.8	Confident	84.3	Confident	109 Å²	109	75.9 Å²	75.9	51%	0.509	41%	0.409	S	S	.	.			trans	-86.3	147.9	175.9	-62.3	-177.5	-0.7	0	0	111.3	R341 L344 F348	R341-Q346 HydrophobicContact CB-CB 3.96Å; R341-Q346 HydrophobicContact CG-CB 4.34Å; R341-Q346 PolarHBondContact O-N 2.85Å; L344-Q346 VanDerWaalsContact C-N 3.3Å; L344-Q346 HydrophobicContact CB-CG 4.37Å; L344-Q346 PolarHBondContact O-N 3.35Å; Q346-F348 WeakPolarHBondContact O-CD1 3.44Å
347	S	86.6	Confident	84.2	Confident	112 Å²	112	82 Å²	82	78%	0.783	44%	0.435	S	S	*	.			trans	-68.3	138.9	175.6	59.5	0	0	0	0	112.1
348	F	84.8	Confident	84.1	Confident	51 Å²	51	79.1 Å²	79.1	22%	0.224	42%	0.419	C	S	.	.			trans	-140.7	156.9	174.2	59.8	-95.3	0	0	0	110.2	R341 G342 Q346 F350 F362 L365	R341-F348 HydrophobicContact CB-CB 4.41Å; R341-F348 HydrophobicContact CB-CD1 4.39Å; G342-F348 VanDerWaalsContact CA-CE1 3.46Å; Q346-F348 WeakPolarHBondContact O-CD1 3.44Å; F348-F350 PolarHBondContact O-N 3.23Å; F348-F362 HydrophobicContact CD2-CE1 4.3Å; F348-F362 AromaticContact CE2-CD1 3.64Å; F348-F362 HydrophobicContact CE2-CD1 3.64Å; F348-F362 AromaticContact CE2-CE1 3.24Å; F348-F362 HydrophobicContact CE2-CE1 3.24Å; F348-F362 HydrophobicContact CE2-CZ 4.03Å; F348-F362 AromaticContact CZ-CD1 3.59Å; F348-F362 HydrophobicContact CZ-CD1 3.59Å; F348-F362 AromaticContact CZ-CE1 3.63Å; F348-F362 HydrophobicContact CZ-CE1 3.63Å; F348-L365 HydrophobicContact CE1-CD2 4.08Å; F348-L365 HydrophobicContact CZ-CD2 3.93Å
349	P	81.6	Confident	84.2	Confident	95 Å²	95	82.8 Å²	82.8	62%	0.617	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-68.5	125.1	-175.9	25.9	-34.1	0	0	0	112.3
350	F	80.9	Confident	84.2	Confident	108 Å²	108	87.9 Å²	87.9	47%	0.474	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-90.2	132.9	177.6	-171.8	-92.2	0	0	0	111.3	F348 A354 R359 F362	F348-F350 PolarHBondContact O-N 3.23Å; F350-A354 HydrophobicContact CE1-CB 3.71Å; F350-A354 HydrophobicContact CZ-CB 3.59Å; F350-R359 HydrophobicContact CZ-CG 4.2Å; F350-F362 AromaticContact CD2-CD2 3.84Å; F350-F362 HydrophobicContact CD2-CD2 3.84Å; F350-F362 AromaticContact CD2-CE2 3.99Å; F350-F362 HydrophobicContact CD2-CE2 3.99Å; F350-F362 HydrophobicContact CD2-CG 4.25Å; F350-F362 HydrophobicContact CE2-CB 4.18Å; F350-F362 AromaticContact CE2-CD2 3.31Å; F350-F362 HydrophobicContact CE2-CD2 3.31Å; F350-F362 AromaticContact CE2-CE2 3.79Å; F350-F362 HydrophobicContact CE2-CE2 3.79Å; F350-F362 AromaticContact CE2-CG 3.9Å; F350-F362 HydrophobicContact CE2-CG 3.9Å; F350-F362 HydrophobicContact CZ-CD2 4.25Å
351	P	81.3	Confident	84.2	Confident	41 Å²	41	84.8 Å²	84.8	27%	0.266	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-71.4	131.3	-179.1	26.2	-30.3	0	0	0	112.1	N353 A354 L358 F362	P351-N353 VanDerWaalsContact C-N 3.3Å; P351-N353 PolarHBondContact O-N 3.13Å; P351-A354 HydrophobicContact CG-CB 4.26Å; P351-L358 HydrophobicContact CG-CD2 3.78Å; P351-F362 HydrophobicContact CG-CE2 4.24Å
352	L	75.9	Confident	84.1	Confident	168 Å²	168	81 Å²	81	88%	0.88	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-36.3	-178.6	-69.1	165.9	0	0	0	113.1
353	N	77	Confident	84.1	Confident	163 Å²	163	85.1 Å²	85.1	87%	0.872	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	58.1	-178.9	-68.2	-22.3	0	0	0	112.2	P351	P351-N353 VanDerWaalsContact C-N 3.3Å; P351-N353 PolarHBondContact O-N 3.13Å
354	A	78.5	Confident	84.2	Confident	9 Å²	9	89 Å²	89	7%	0.074	47%	0.471	C	S	.	.			trans	-80.6	126.8	-178.9	0	0	0	0	0	113.3	F350 P351 L358 R359	F350-A354 HydrophobicContact CE1-CB 3.71Å; F350-A354 HydrophobicContact CZ-CB 3.59Å; P351-A354 HydrophobicContact CG-CB 4.26Å; A354-L358 HydrophobicContact CB-CD2 4.12Å; A354-R359 HydrophobicContact CB-CG 3.94Å; A354-R359 PolarHBondContact O-NE 3.29Å; A354-R359 VanDerWaalsContact O-NE 3.17Å
355	S	82.6	Confident	84.3	Confident	54 Å²	54	84.6 Å²	84.6	38%	0.378	45%	0.449	S	S	.	.			trans	-64.8	157.8	172	74.5	0	0	0	0	112	K357 L358 R359	S355-K357 PolarHBondContact O-N 3.35Å; S355-L358 PolarHBondContact O-N 3.39Å; S355-L358 VanDerWaalsContact O-N 3.1Å; S355-L358 WeakPolarHBondContact OG-CB 2.99Å; S355-L358 PolarHBondContact OG-N 3.26Å; S355-R359 WeakPolarHBondContact O-CG 3.39Å; S355-R359 PolarHBondContact O-N 3Å
356	K	83.7	Confident	84.5	Confident	193 Å²	193	85.6 Å²	85.6	84%	0.839	45%	0.447	S	S	*	.	H	α-helix	trans	-55.6	-37.1	177.7	-66.2	-175.7	-179.2	-179.3	0	112.5	L360	K356-L360 PolarHBondContact O-N 2.62Å; K356-L360 VanDerWaalsContact O-N 3.11Å
357	K	83.4	Confident	84.6	Confident	145 Å²	145	86.8 Å²	86.8	63%	0.63	45%	0.45	S	S	*	.	H	α-helix	trans	-66.7	-43.5	177.2	-61.2	-178	-177.9	-178.5	0	111.7	S355 L360 I361	S355-K357 PolarHBondContact O-N 3.35Å; K357-L360 PolarHBondContact O-N 3.34Å; K357-I361 WeakPolarHBondContact O-CG1 3.37Å; K357-I361 PolarHBondContact O-N 3.32Å; K357-I361 VanDerWaalsContact O-N 3.09Å
358	L	84.1	Confident	84.8	Confident	9 Å²	9	82.2 Å²	82.2	5%	0.047	42%	0.419	C	S	.	.	H	α-helix	trans	-66.7	-39.3	177.9	-175	62.6	0	0	0	111.8	Q321 P351 A354 S355 L360 I361 F362	Q321-L358 HydrophobicContact CG-CD1 3.91Å; Q321-L358 HydrophobicContact CG-CD2 4.04Å; P351-L358 HydrophobicContact CG-CD2 3.78Å; A354-L358 HydrophobicContact CB-CD2 4.12Å; S355-L358 PolarHBondContact O-N 3.39Å; S355-L358 VanDerWaalsContact O-N 3.1Å; S355-L358 WeakPolarHBondContact OG-CB 2.99Å; S355-L358 PolarHBondContact OG-N 3.26Å; L358-L360 VanDerWaalsContact C-N 3.35Å; L358-L360 PolarHBondContact O-N 3.33Å; L358-I361 PolarHBondContact O-N 3.49Å; L358-F362 HydrophobicContact CD1-CD2 4.17Å; L358-F362 HydrophobicContact CD1-CE2 3.67Å; L358-F362 HydrophobicContact CD1-CZ 4.27Å; L358-F362 HydrophobicContact CD2-CE2 4.07Å; L358-F362 HydrophobicContact CG-CD2 3.93Å; L358-F362 HydrophobicContact CG-CE2 3.58Å; L358-F362 WeakPolarHBondContact O-CD2 3.4Å; L358-F362 PolarHBondContact O-N 3.5Å; L358-F362 VanDerWaalsContact O-N 3.09Å
359	R	86.1	Confident	85.1	Confident	142 Å²	142	80.1 Å²	80.1	54%	0.536	41%	0.411	S	S	.	.	H	α-helix	trans	-58.5	-45.4	172.9	-69.4	178	-174	-156.8	-3.4	111.6	F350 A354 S355 I361 F362 T363	F350-R359 HydrophobicContact CZ-CG 4.2Å; A354-R359 HydrophobicContact CB-CG 3.94Å; A354-R359 PolarHBondContact O-NE 3.29Å; A354-R359 VanDerWaalsContact O-NE 3.17Å; S355-R359 WeakPolarHBondContact O-CG 3.39Å; S355-R359 PolarHBondContact O-N 3Å; R359-I361 PolarHBondContact O-N 3.28Å; R359-F362 PolarHBondContact O-N 3.4Å; R359-T363 PolarHBondContact O-N 3.41Å; R359-T363 PolarHBondContact O-OG1 3.13Å; R359-T363 VanDerWaalsContact O-OG1 3.09Å
360	L	87.9	Confident	85.6	Confident	107 Å²	107	79.9 Å²	79.9	56%	0.56	40%	0.404	S	S	*	.	H	α-helix	trans	-60.8	-43.4	176.8	-178.4	66.6	0	0	0	112.3	K356 K357 L358 F362 T363 I364	K356-L360 PolarHBondContact O-N 2.62Å; K356-L360 VanDerWaalsContact O-N 3.11Å; K357-L360 PolarHBondContact O-N 3.34Å; L358-L360 VanDerWaalsContact C-N 3.35Å; L358-L360 PolarHBondContact O-N 3.33Å; L360-F362 VanDerWaalsContact C-N 3.31Å; L360-F362 PolarHBondContact O-N 3.19Å; L360-T363 WeakPolarHBondContact O-CB 3.37Å; L360-T363 PolarHBondContact O-N 3.26Å; L360-T363 VanDerWaalsContact O-N 3.17Å; L360-I364 HydrophobicContact CG-CD1 4.1Å; L360-I364 WeakPolarHBondContact O-CG1 3.45Å; L360-I364 PolarHBondContact O-N 3.25Å
361	I	87.4	Confident	86.1	Confident	22 Å²	22	79.8 Å²	79.8	11%	0.113	41%	0.406	C	S	.	.	H	α-helix	trans	-60.4	-42.4	176.9	-67.3	164.9	0	0	0	110.7	L316 K357 L358 R359 I364 L365	L316-I361 HydrophobicContact CB-CD1 4.25Å; K357-I361 WeakPolarHBondContact O-CG1 3.37Å; K357-I361 PolarHBondContact O-N 3.32Å; K357-I361 VanDerWaalsContact O-N 3.09Å; L358-I361 PolarHBondContact O-N 3.49Å; R359-I361 PolarHBondContact O-N 3.28Å; I361-I364 PolarHBondContact O-N 3.22Å; I361-L365 WeakPolarHBondContact O-CB 3.45Å; I361-L365 PolarHBondContact O-N 3.37Å
362	F	87.2	Confident	86.5	Confident	16 Å²	16	79.5 Å²	79.5	7%	0.07	40%	0.402	C	S	.	.	H	α-helix	trans	-66.6	-35.4	175.5	-74.9	-58.1	0	0	0	113	L317 F348 F350 P351 L358 R359 L360 L365 C366	L317-F362 HydrophobicContact CD1-CE1 3.94Å; L317-F362 HydrophobicContact CD1-CZ 4.34Å; F348-F362 HydrophobicContact CD2-CE1 4.3Å; F348-F362 AromaticContact CE2-CD1 3.64Å; F348-F362 HydrophobicContact CE2-CD1 3.64Å; F348-F362 AromaticContact CE2-CE1 3.24Å; F348-F362 HydrophobicContact CE2-CE1 3.24Å; F348-F362 HydrophobicContact CE2-CZ 4.03Å; F348-F362 AromaticContact CZ-CD1 3.59Å; F348-F362 HydrophobicContact CZ-CD1 3.59Å; F348-F362 AromaticContact CZ-CE1 3.63Å; F348-F362 HydrophobicContact CZ-CE1 3.63Å; F350-F362 AromaticContact CD2-CD2 3.84Å; F350-F362 HydrophobicContact CD2-CD2 3.84Å; F350-F362 AromaticContact CD2-CE2 3.99Å; F350-F362 HydrophobicContact CD2-CE2 3.99Å; F350-F362 HydrophobicContact CD2-CG 4.25Å; F350-F362 HydrophobicContact CE2-CB 4.18Å; F350-F362 AromaticContact CE2-CD2 3.31Å; F350-F362 HydrophobicContact CE2-CD2 3.31Å; F350-F362 AromaticContact CE2-CE2 3.79Å; F350-F362 HydrophobicContact CE2-CE2 3.79Å; F350-F362 AromaticContact CE2-CG 3.9Å; F350-F362 HydrophobicContact CE2-CG 3.9Å; F350-F362 HydrophobicContact CZ-CD2 4.25Å; P351-F362 HydrophobicContact CG-CE2 4.24Å; L358-F362 HydrophobicContact CD1-CD2 4.17Å; L358-F362 HydrophobicContact CD1-CE2 3.67Å; L358-F362 HydrophobicContact CD1-CZ 4.27Å; L358-F362 HydrophobicContact CD2-CE2 4.07Å; L358-F362 HydrophobicContact CG-CD2 3.93Å; L358-F362 HydrophobicContact CG-CE2 3.58Å; L358-F362 WeakPolarHBondContact O-CD2 3.4Å; L358-F362 PolarHBondContact O-N 3.5Å; L358-F362 VanDerWaalsContact O-N 3.09Å; R359-F362 PolarHBondContact O-N 3.4Å; L360-F362 VanDerWaalsContact C-N 3.31Å; L360-F362 PolarHBondContact O-N 3.19Å; F362-L365 HydrophobicContact CD1-CD2 4.08Å; F362-L365 HydrophobicContact CE1-CD2 4.46Å; F362-L365 PolarHBondContact O-N 3.36Å; F362-C366 WeakPolarHBondContact O-CB 3.06Å; F362-C366 PolarHBondContact O-N 2.92Å
363	T	88.4	Confident	87.1	Confident	92 Å²	92	74 Å²	74	56%	0.564	38%	0.376	S	S	*	.	H	α-helix	trans	-62.9	-43.7	171.8	-54	0	0	0	0	111.4	R359 L360 C366 F367	R359-T363 PolarHBondContact O-N 3.41Å; R359-T363 PolarHBondContact O-OG1 3.13Å; R359-T363 VanDerWaalsContact O-OG1 3.09Å; L360-T363 WeakPolarHBondContact O-CB 3.37Å; L360-T363 PolarHBondContact O-N 3.26Å; L360-T363 VanDerWaalsContact O-N 3.17Å; T363-C366 PolarHBondContact O-N 2.88Å; T363-F367 PolarHBondContact O-N 3.12Å
364	I	89.7	Confident	87.8	Confident	86 Å²	86	69.8 Å²	69.8	44%	0.441	36%	0.356	S	S	.	.	H	α-helix	trans	-62.9	-44.4	176.2	-67	165.7	0	0	0	110.5	L313 L360 I361 C366 F367 A368	L313-I364 HydrophobicContact CD2-CG2 4.26Å; L360-I364 HydrophobicContact CG-CD1 4.1Å; L360-I364 WeakPolarHBondContact O-CG1 3.45Å; L360-I364 PolarHBondContact O-N 3.25Å; I361-I364 PolarHBondContact O-N 3.22Å; I364-C366 VanDerWaalsContact C-N 3.34Å; I364-C366 PolarHBondContact O-N 3.23Å; I364-F367 PolarHBondContact O-N 2.78Å; I364-A368 VanDerWaalsContact O-CB 3.31Å; I364-A368 WeakPolarHBondContact O-CB 3.39Å; I364-A368 PolarHBondContact O-N 2.9Å
365	L	89.9	Confident	88.4	Confident	4 Å²	4	73.2 Å²	73.2	2%	0.021	37%	0.371	C	S	.	.	H	α-helix	trans	-59.7	-43.7	176.6	-176.6	67.9	0	0	0	111.5	L313 L343 F348 I361 F362 A368 S369	L313-L365 HydrophobicContact CD1-CD1 3.73Å; L343-L365 HydrophobicContact CB-CD1 4.46Å; F348-L365 HydrophobicContact CE1-CD2 4.08Å; F348-L365 HydrophobicContact CZ-CD2 3.93Å; I361-L365 WeakPolarHBondContact O-CB 3.45Å; I361-L365 PolarHBondContact O-N 3.37Å; F362-L365 HydrophobicContact CD1-CD2 4.08Å; F362-L365 HydrophobicContact CE1-CD2 4.46Å; F362-L365 PolarHBondContact O-N 3.36Å; L365-A368 PolarHBondContact O-N 3.48Å; L365-S369 WeakPolarHBondContact O-CB 3.13Å; L365-S369 PolarHBondContact O-N 2.88Å
366	C	89.4	Confident	88.7	Confident	72 Å²	72	74 Å²	74	49%	0.486	37%	0.367	S	S	.	.	H	α-helix	trans	-62.5	-47.8	176	-176.6	0	0	0	0	111.7	F362 T363 I364 A368 S369 I370	F362-C366 WeakPolarHBondContact O-CB 3.06Å; F362-C366 PolarHBondContact O-N 2.92Å; T363-C366 PolarHBondContact O-N 2.88Å; I364-C366 VanDerWaalsContact C-N 3.34Å; I364-C366 PolarHBondContact O-N 3.23Å; C366-A368 PolarHBondContact O-N 2.98Å; C366-S369 WeakPolarHBondContact O-CB 3.5Å; C366-S369 PolarHBondContact O-N 3.15Å; C366-I370 WeakPolarHBondContact O-CG1 3.31Å; C366-I370 PolarHBondContact O-N 3.45Å
367	F	91	Very high	89	Confident	133 Å²	133	70.2 Å²	70.2	58%	0.583	35%	0.352	S	S	*	.	H	α-helix	trans	-62.4	-44.1	177.8	-173.6	-102.8	0	0	0	112	T363 I364 S369 I370 M371	T363-F367 PolarHBondContact O-N 3.12Å; I364-F367 PolarHBondContact O-N 2.78Å; F367-S369 VanDerWaalsContact C-N 3.3Å; F367-S369 PolarHBondContact O-N 3.05Å; F367-I370 PolarHBondContact O-N 3.36Å; F367-M371 HydrophobicContact CD1-CG 4.31Å; F367-M371 HydrophobicContact CD1-SD 3.8Å; F367-M371 HydrophobicContact CE1-CG 4Å; F367-M371 HydrophobicContact CE1-SD 3.19Å; F367-M371 WeakPolarHBondContact CE1-SD 3.34Å; F367-M371 HydrophobicContact CZ-CG 4.16Å; F367-M371 HydrophobicContact CZ-SD 3.72Å; F367-M371 WeakPolarHBondContact O-CG 3.15Å; F367-M371 PolarHBondContact O-N 3.49Å
368	A	90.1	Very high	89.4	Confident	16 Å²	16	66.2 Å²	66.2	13%	0.132	35%	0.346	C	S	.	.	H	α-helix	trans	-59.7	-41	175.2	0	0	0	0	0	111.9	L309 L343 I364 L365 C366 M371 L372	L309-A368 HydrophobicContact CD2-CB 4.26Å; L343-A368 HydrophobicContact CD1-CB 4.33Å; I364-A368 VanDerWaalsContact O-CB 3.31Å; I364-A368 WeakPolarHBondContact O-CB 3.39Å; I364-A368 PolarHBondContact O-N 2.9Å; L365-A368 PolarHBondContact O-N 3.48Å; C366-A368 PolarHBondContact O-N 2.98Å; A368-M371 PolarHBondContact O-N 3.26Å; A368-L372 VanDerWaalsContact O-CB 3.3Å; A368-L372 WeakPolarHBondContact O-CB 3.44Å; A368-L372 PolarHBondContact O-N 3.32Å
369	S	91.3	Very high	89.8	Confident	8 Å²	8	71.5 Å²	71.5	6%	0.056	37%	0.366	C	S	.	.	H	α-helix	trans	-65.6	-46.2	176.7	-175.1	0	0	0	0	112.9	G342 L343 G345 L365 C366 F367 M371 L372 T373	G342-S369 WeakPolarHBondContact O-CB 3.48Å; G342-S369 PolarHBondContact O-OG 3.29Å; L343-S369 WeakPolarHBondContact O-CB 3.38Å; L343-S369 PolarHBondContact O-OG 3.2Å; G345-S369 WeakPolarHBondContact CA-OG 3.23Å; G345-S369 PolarHBondContact N-OG 3.48Å; L365-S369 WeakPolarHBondContact O-CB 3.13Å; L365-S369 PolarHBondContact O-N 2.88Å; C366-S369 WeakPolarHBondContact O-CB 3.5Å; C366-S369 PolarHBondContact O-N 3.15Å; F367-S369 VanDerWaalsContact C-N 3.3Å; F367-S369 PolarHBondContact O-N 3.05Å; S369-M371 VanDerWaalsContact C-N 3.31Å; S369-M371 PolarHBondContact O-N 2.93Å; S369-L372 PolarHBondContact O-N 3.48Å; S369-T373 WeakPolarHBondContact O-CB 3.36Å; S369-T373 WeakPolarHBondContact O-CG2 3.21Å; S369-T373 PolarHBondContact O-N 2.95Å; S369-T373 PolarHBondContact O-OG1 3.11Å
370	I	92.4	Very high	89.9	Confident	89 Å²	89	66 Å²	66	46%	0.456	35%	0.347	S	S	.	.	H	α-helix	trans	-58.4	-47.3	175.9	-68.6	167.1	0	0	0	109.5	C366 F367 L372 T373 T374	C366-I370 WeakPolarHBondContact O-CG1 3.31Å; C366-I370 PolarHBondContact O-N 3.45Å; F367-I370 PolarHBondContact O-N 3.36Å; I370-L372 PolarHBondContact O-N 2.98Å; I370-T373 PolarHBondContact O-OG1 3.48Å; I370-T374 HydrophobicContact CG2-CG2 4.16Å; I370-T374 VanDerWaalsContact O-CB 3.27Å; I370-T374 WeakPolarHBondContact O-CB 3.37Å; I370-T374 WeakPolarHBondContact O-CG2 3.39Å; I370-T374 PolarHBondContact O-N 3.43Å; I370-T374 PolarHBondContact O-OG1 2.71Å
371	M	91	Very high	90	Very high	107 Å²	107	66 Å²	66	53%	0.527	34%	0.344	S	S	.	.	H	α-helix	trans	-60.7	-46	178.2	-74.1	-172	72	0	0	112.3	F367 A368 S369 T374 M375	F367-M371 HydrophobicContact CD1-CG 4.31Å; F367-M371 HydrophobicContact CD1-SD 3.8Å; F367-M371 HydrophobicContact CE1-CG 4Å; F367-M371 HydrophobicContact CE1-SD 3.19Å; F367-M371 WeakPolarHBondContact CE1-SD 3.34Å; F367-M371 HydrophobicContact CZ-CG 4.16Å; F367-M371 HydrophobicContact CZ-SD 3.72Å; F367-M371 WeakPolarHBondContact O-CG 3.15Å; F367-M371 PolarHBondContact O-N 3.49Å; A368-M371 PolarHBondContact O-N 3.26Å; S369-M371 VanDerWaalsContact C-N 3.31Å; S369-M371 PolarHBondContact O-N 2.93Å; M371-T374 PolarHBondContact O-OG1 3Å; M371-M375 WeakPolarHBondContact O-CB 2.96Å; M371-M375 PolarHBondContact O-N 2.86Å
372	L	89.2	Confident	90.1	Very high	35 Å²	35	68.1 Å²	68.1	18%	0.183	36%	0.361	C	S	.	.	H	α-helix	trans	-66.1	-47.3	-177.4	-175.3	152.9	0	0	0	111.9	I306 L343 A368 S369 I370 Y376	I306-L372 HydrophobicContact CD1-CD1 3.76Å; I306-L372 HydrophobicContact CD1-CG 4.36Å; I306-L372 HydrophobicContact CG1-CD1 3.7Å; I306-L372 HydrophobicContact CG2-CD1 4.06Å; L343-L372 HydrophobicContact CD1-CD1 4.15Å; L343-L372 HydrophobicContact CG-CD1 4.15Å; A368-L372 VanDerWaalsContact O-CB 3.3Å; A368-L372 WeakPolarHBondContact O-CB 3.44Å; A368-L372 PolarHBondContact O-N 3.32Å; S369-L372 PolarHBondContact O-N 3.48Å; I370-L372 PolarHBondContact O-N 2.98Å; L372-Y376 WeakPolarHBondContact O-CB 3.48Å; L372-Y376 PolarHBondContact O-N 2.89Å
373	T	89.3	Confident	90.2	Very high	52 Å²	52	69 Å²	69	32%	0.319	37%	0.365	S	S	.	.	H	α-helix	trans	-66.6	-46.2	-179.5	51.3	0	0	0	0	111.6	S369 I370 M375 Y376 E377	S369-T373 WeakPolarHBondContact O-CB 3.36Å; S369-T373 WeakPolarHBondContact O-CG2 3.21Å; S369-T373 PolarHBondContact O-N 2.95Å; S369-T373 PolarHBondContact O-OG1 3.11Å; I370-T373 PolarHBondContact O-OG1 3.48Å; T373-M375 PolarHBondContact O-N 2.61Å; T373-Y376 PolarHBondContact O-N 2.97Å; T373-E377 WeakPolarHBondContact O-CB 3.32Å; T373-E377 PolarHBondContact O-N 3.12Å
374	T	91.5	Very high	90.1	Very high	74 Å²	74	66.6 Å²	66.6	45%	0.454	35%	0.347	S	S	.	.	H	α-helix	trans	-66.5	-37.8	177.9	56.6	0	0	0	0	112.5	I370 M371 A378	I370-T374 HydrophobicContact CG2-CG2 4.16Å; I370-T374 VanDerWaalsContact O-CB 3.27Å; I370-T374 WeakPolarHBondContact O-CB 3.37Å; I370-T374 WeakPolarHBondContact O-CG2 3.39Å; I370-T374 PolarHBondContact O-N 3.43Å; I370-T374 PolarHBondContact O-OG1 2.71Å; M371-T374 PolarHBondContact O-OG1 3Å; T374-A378 VanDerWaalsContact O-CB 3.26Å; T374-A378 WeakPolarHBondContact O-CB 3.39Å; T374-A378 PolarHBondContact O-N 2.81Å
375	M	90.3	Very high	89.8	Confident	82 Å²	82	68.1 Å²	68.1	40%	0.404	36%	0.36	S	S	.	.	H	α-helix	trans	-62.5	-49.9	174.1	-176.7	-172.3	79.4	0	0	110.8	V302 M371 T373 E377 A378 Y379	V302-M375 HydrophobicContact CG1-CE 4.23Å; M371-M375 WeakPolarHBondContact O-CB 2.96Å; M371-M375 PolarHBondContact O-N 2.86Å; T373-M375 PolarHBondContact O-N 2.61Å; M375-E377 VanDerWaalsContact C-N 3.35Å; M375-E377 PolarHBondContact O-N 3.11Å; M375-A378 PolarHBondContact O-N 2.85Å; M375-Y379 HydrophobicContact CG-CD2 3.76Å; M375-Y379 HydrophobicContact CG-CE2 3.54Å; M375-Y379 WeakPolarHBondContact O-CD2 3.22Å; M375-Y379 PolarHBondContact O-N 2.85Å; M375-Y379 HydrophobicContact SD-CE2 4.19Å
376	Y	89.6	Confident	89.5	Confident	70 Å²	70	72.4 Å²	72.4	28%	0.275	38%	0.383	S	S	.	.	H	α-helix	trans	-60.2	-46	179.4	-175.5	-94.9	0	0	0	111.5	I297 V298 L372 T373 Y379 L380	I297-Y376 HydrophobicContact CB-CD2 4.25Å; I297-Y376 HydrophobicContact CB-CE2 3.9Å; I297-Y376 HydrophobicContact CD1-CE2 4.26Å; I297-Y376 HydrophobicContact CG2-CD2 3.43Å; I297-Y376 VanDerWaalsContact CG2-CD2 3.43Å; I297-Y376 HydrophobicContact CG2-CE2 3.61Å; I297-Y376 HydrophobicContact CG2-CG 4.38Å; V298-Y376 HydrophobicContact CG2-CD2 4.31Å; V298-Y376 HydrophobicContact CG2-CE2 3.76Å; L372-Y376 WeakPolarHBondContact O-CB 3.48Å; L372-Y376 PolarHBondContact O-N 2.89Å; T373-Y376 PolarHBondContact O-N 2.97Å; Y376-Y379 PolarHBondContact O-N 2.79Å; Y376-L380 HydrophobicContact CE1-CD2 4.13Å; Y376-L380 VanDerWaalsContact O-CB 3.28Å; Y376-L380 WeakPolarHBondContact O-CB 3.43Å; Y376-L380 PolarHBondContact O-N 3.37Å
377	E	90.3	Very high	89.3	Confident	113 Å²	113	69.3 Å²	69.3	53%	0.528	36%	0.362	S	S	.	.	H	α-helix	trans	-62.7	-42.8	178.2	-173.5	171.7	-169.5	0	0	111.9	T373 M375 Y379 L380 Q381	T373-E377 WeakPolarHBondContact O-CB 3.32Å; T373-E377 PolarHBondContact O-N 3.12Å; M375-E377 VanDerWaalsContact C-N 3.35Å; M375-E377 PolarHBondContact O-N 3.11Å; E377-Y379 PolarHBondContact O-N 2.53Å; E377-L380 PolarHBondContact O-N 3.32Å; E377-Q381 HydrophobicContact CG-CG 4.33Å; E377-Q381 WeakPolarHBondContact O-CB 3.43Å; E377-Q381 VanDerWaalsContact O-CG 3.25Å; E377-Q381 WeakPolarHBondContact O-CG 3.24Å; E377-Q381 PolarHBondContact O-N 2.8Å
378	A	92.1	Very high	89.1	Confident	61 Å²	61	64.7 Å²	64.7	50%	0.504	35%	0.346	S	S	.	.	H	α-helix	trans	-61.4	-44.4	176.8	0	0	0	0	0	112.4	T374 M375 S382	T374-A378 VanDerWaalsContact O-CB 3.26Å; T374-A378 WeakPolarHBondContact O-CB 3.39Å; T374-A378 PolarHBondContact O-N 2.81Å; M375-A378 PolarHBondContact O-N 2.85Å; A378-S382 WeakPolarHBondContact O-CB 3.48Å; A378-S382 PolarHBondContact O-N 3.22Å
379	Y	91.1	Very high	89	Confident	120 Å²	120	66.3 Å²	66.3	47%	0.471	36%	0.356	S	S	.	.	H	α-helix	trans	-65.5	-40.9	174.9	-80	-67.1	0	0	0	112.2	I297 M375 Y376 E377 S382 F383	I297-Y379 HydrophobicContact CG2-CG 4.44Å; M375-Y379 HydrophobicContact CG-CD2 3.76Å; M375-Y379 HydrophobicContact CG-CE2 3.54Å; M375-Y379 WeakPolarHBondContact O-CD2 3.22Å; M375-Y379 PolarHBondContact O-N 2.85Å; M375-Y379 HydrophobicContact SD-CE2 4.19Å; Y376-Y379 PolarHBondContact O-N 2.79Å; E377-Y379 PolarHBondContact O-N 2.53Å; Y379-S382 PolarHBondContact O-N 3.3Å; Y379-F383 HydrophobicContact CD1-CZ 4.34Å; Y379-F383 WeakPolarHBondContact O-CB 3.39Å; Y379-F383 WeakPolarHBondContact O-CG 3.43Å; Y379-F383 PolarHBondContact O-N 3.05Å
380	L	89.5	Confident	88.7	Confident	28 Å²	28	68.8 Å²	68.8	15%	0.147	37%	0.366	C	S	.	.	H	α-helix	trans	-63.2	-46.6	179.2	-174.4	67.5	0	0	0	111.7	V293 Y294 I297 Y376 E377 S382 F383 F384	V293-L380 HydrophobicContact CG1-CD1 4.21Å; Y294-L380 HydrophobicContact CD1-CD1 3.78Å; Y294-L380 HydrophobicContact CE1-CD1 3.69Å; Y294-L380 HydrophobicContact CE1-CD2 4.24Å; I297-L380 HydrophobicContact CD1-CB 3.87Å; I297-L380 HydrophobicContact CD1-CD1 3.75Å; I297-L380 HydrophobicContact CD1-CG 4.45Å; Y376-L380 HydrophobicContact CE1-CD2 4.13Å; Y376-L380 VanDerWaalsContact O-CB 3.28Å; Y376-L380 WeakPolarHBondContact O-CB 3.43Å; Y376-L380 PolarHBondContact O-N 3.37Å; E377-L380 PolarHBondContact O-N 3.32Å; L380-S382 VanDerWaalsContact C-N 3.33Å; L380-S382 PolarHBondContact O-N 3.45Å; L380-F383 PolarHBondContact O-N 2.9Å; L380-F384 HydrophobicContact CD1-CD2 4.03Å; L380-F384 HydrophobicContact CD1-CE2 3.43Å; L380-F384 VanDerWaalsContact CD1-CE2 3.43Å; L380-F384 HydrophobicContact CD1-CZ 3.85Å; L380-F384 HydrophobicContact CD2-CE2 4Å; L380-F384 HydrophobicContact CG-CD2 3.83Å; L380-F384 HydrophobicContact CG-CE2 3.49Å; L380-F384 VanDerWaalsContact CG-CE2 3.49Å; L380-F384 HydrophobicContact CG-CZ 4.4Å; L380-F384 VanDerWaalsContact O-CD2 3.3Å; L380-F384 WeakPolarHBondContact O-CD2 3.47Å; L380-F384 PolarHBondContact O-N 3.17Å
381	Q	89.1	Confident	88.2	Confident	106 Å²	106	69.9 Å²	69.9	50%	0.495	38%	0.379	S	S	.	.	H	α-helix	trans	-61.7	-42.2	175.8	-68.6	-66.3	-13.1	0	0	111.6	E377 F384 T385	E377-Q381 HydrophobicContact CG-CG 4.33Å; E377-Q381 WeakPolarHBondContact O-CB 3.43Å; E377-Q381 VanDerWaalsContact O-CG 3.25Å; E377-Q381 WeakPolarHBondContact O-CG 3.24Å; E377-Q381 PolarHBondContact O-N 2.8Å; Q381-F384 PolarHBondContact O-N 3.36Å; Q381-T385 PolarHBondContact O-N 3.05Å; Q381-T385 VanDerWaalsContact O-N 3.09Å; Q381-T385 PolarHBondContact O-OG1 3.01Å
382	S	90.4	Very high	87.9	Confident	66 Å²	66	69.4 Å²	69.4	46%	0.462	38%	0.376	S	S	.	.	H	α-helix	trans	-61.2	-49.2	175.9	-174.3	0	0	0	0	111.6	A378 Y379 L380 F384 T385 D386	A378-S382 WeakPolarHBondContact O-CB 3.48Å; A378-S382 PolarHBondContact O-N 3.22Å; Y379-S382 PolarHBondContact O-N 3.3Å; L380-S382 VanDerWaalsContact C-N 3.33Å; L380-S382 PolarHBondContact O-N 3.45Å; S382-F384 VanDerWaalsContact C-N 3.34Å; S382-F384 PolarHBondContact O-N 3.46Å; S382-T385 WeakPolarHBondContact O-CB 3.35Å; S382-T385 PolarHBondContact O-N 3.19Å; S382-T385 VanDerWaalsContact O-N 3.12Å; S382-D386 PolarHBondContact O-N 2.99Å
383	F	88.7	Confident	87.6	Confident	34 Å²	34	68.9 Å²	68.9	15%	0.149	37%	0.373	C	S	.	.	H	α-helix	trans	-71.6	-25	-178.8	-69.1	-5.5	0	0	0	113.7	V293 L296 I297 Y379 L380 D386 P387 P388	V293-F383 HydrophobicContact CG1-CB 3.49Å; V293-F383 VanDerWaalsContact CG1-CB 3.49Å; V293-F383 HydrophobicContact CG1-CD2 3.9Å; V293-F383 HydrophobicContact CG1-CG 4.21Å; V293-F383 HydrophobicContact CG2-CB 4.47Å; L296-F383 HydrophobicContact CD2-CD2 4.27Å; L296-F383 HydrophobicContact CD2-CE2 3.43Å; L296-F383 VanDerWaalsContact CD2-CE2 3.43Å; L296-F383 HydrophobicContact CD2-CZ 3.91Å; I297-F383 HydrophobicContact CD1-CD2 4.02Å; I297-F383 HydrophobicContact CG1-CD2 3.51Å; I297-F383 HydrophobicContact CG1-CE2 3.61Å; Y379-F383 HydrophobicContact CD1-CZ 4.34Å; Y379-F383 WeakPolarHBondContact O-CB 3.39Å; Y379-F383 WeakPolarHBondContact O-CG 3.43Å; Y379-F383 PolarHBondContact O-N 3.05Å; L380-F383 PolarHBondContact O-N 2.9Å; F383-D386 CarbonylContact O-C 3.54Å; F383-P387 VanDerWaalsContact O-CA 3.24Å; F383-P387 WeakPolarHBondContact O-CA 3.4Å; F383-P387 WeakPolarHBondContact O-CB 3.41Å; F383-P387 WeakPolarHBondContact O-CD 3.28Å; F383-P387 VanDerWaalsContact O-N 3.16Å; F383-P388 HydrophobicContact CD1-CG 4.31Å; F383-P388 HydrophobicContact CD2-CG 4.44Å; F383-P388 HydrophobicContact CE1-CG 4.17Å; F383-P388 HydrophobicContact CE2-CG 4.31Å; F383-P388 HydrophobicContact CG-CG 4.44Å; F383-P388 HydrophobicContact CZ-CG 4.16Å
384	F	85.4	Confident	87.4	Confident	42 Å²	42	75.7 Å²	75.7	18%	0.184	39%	0.393	C	S	.	.	H	α-helix	trans	-71.5	-35	168.6	-79.5	-46	0	0	0	112.7	Y290 Y294 L380 Q381 S382 L549	Y290-F384 AromaticContact CD1-CD1 3.54Å; Y290-F384 HydrophobicContact CD1-CD1 3.54Å; Y290-F384 AromaticContact CD1-CE1 3.88Å; Y290-F384 HydrophobicContact CD1-CE1 3.88Å; Y290-F384 AromaticContact CE1-CD1 3.88Å; Y290-F384 HydrophobicContact CE1-CD1 3.88Å; Y290-F384 HydrophobicContact CG-CD1 4.41Å; Y290-F384 HydrophobicContact CG-CE1 4.43Å; Y290-F384 PolarHBondContact OH-O 3.26Å; Y294-F384 HydrophobicContact CE1-CZ 4.17Å; Y294-F384 HydrophobicContact CE2-CZ 4.22Å; Y294-F384 AromaticContact CZ-CZ 3.68Å; Y294-F384 WeakPolarHBondContact OH-CZ 3.42Å; L380-F384 HydrophobicContact CD1-CD2 4.03Å; L380-F384 HydrophobicContact CD1-CE2 3.43Å; L380-F384 VanDerWaalsContact CD1-CE2 3.43Å; L380-F384 HydrophobicContact CD1-CZ 3.85Å; L380-F384 HydrophobicContact CD2-CE2 4Å; L380-F384 HydrophobicContact CG-CD2 3.83Å; L380-F384 HydrophobicContact CG-CE2 3.49Å; L380-F384 VanDerWaalsContact CG-CE2 3.49Å; L380-F384 HydrophobicContact CG-CZ 4.4Å; L380-F384 VanDerWaalsContact O-CD2 3.3Å; L380-F384 WeakPolarHBondContact O-CD2 3.47Å; L380-F384 PolarHBondContact O-N 3.17Å; Q381-F384 PolarHBondContact O-N 3.36Å; S382-F384 VanDerWaalsContact C-N 3.34Å; S382-F384 PolarHBondContact O-N 3.46Å; F384-L549 HydrophobicContact CE1-CD2 4.34Å; F384-L549 HydrophobicContact CZ-CD2 4.19Å
385	T	84.5	Confident	87.1	Confident	119 Å²	119	74.3 Å²	74.3	73%	0.73	39%	0.386	S	S	*	.	H	α-helix	trans	-70.5	-49.6	177	-54.8	0	0	0	0	111.2	Q381 S382	Q381-T385 PolarHBondContact O-N 3.05Å; Q381-T385 VanDerWaalsContact O-N 3.09Å; Q381-T385 PolarHBondContact O-OG1 3.01Å; S382-T385 WeakPolarHBondContact O-CB 3.35Å; S382-T385 PolarHBondContact O-N 3.19Å; S382-T385 VanDerWaalsContact O-N 3.12Å
386	D	83	Confident	86.8	Confident	93 Å²	93	71 Å²	71	50%	0.497	37%	0.369	S	S	.	.	S	Bend	trans	-144.1	97.8	177	-168.7	27.1	0	0	0	110.6	K287 S382 F383	K287-D386 WeakPolarHBondContact CE-OD1 3.26Å; K287-D386 IonicContact NZ-OD1 3.04Å; K287-D386 PolarHBondContact NZ-OD1 2.82Å; S382-D386 PolarHBondContact O-N 2.99Å; F383-D386 CarbonylContact O-C 3.54Å
387	P	85.8	Confident	86.4	Confident	7 Å²	7	74.7 Å²	74.7	5%	0.045	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-66.2	143.8	-177.4	18.1	-24.3	0	0	0	110.9	K287 Y290 F383	K287-P387 HydrophobicContact CB-CB 4.39Å; K287-P387 HydrophobicContact CB-CG 3.98Å; K287-P387 HydrophobicContact CD-CG 3.88Å; Y290-P387 HydrophobicContact CE1-CB 4.36Å; Y290-P387 HydrophobicContact CE1-CG 3.89Å; F383-P387 VanDerWaalsContact O-CA 3.24Å; F383-P387 WeakPolarHBondContact O-CA 3.4Å; F383-P387 WeakPolarHBondContact O-CB 3.41Å; F383-P387 WeakPolarHBondContact O-CD 3.28Å; F383-P387 VanDerWaalsContact O-N 3.16Å
388	P	87.4	Confident	85.9	Confident	37 Å²	37	71.8 Å²	71.8	24%	0.24	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-58.4	146.8	177.7	22.2	-29.9	0	0	0	110.4	F288 L296 F383	F288-P388 HydrophobicContact CD2-CB 4.35Å; F288-P388 HydrophobicContact CD2-CG 4.11Å; F288-P388 VanDerWaalsContact CD2-O 3.24Å; F288-P388 WeakPolarHBondContact CD2-O 3.11Å; F288-P388 PolarHBondContact N-O 3.26Å; L296-P388 HydrophobicContact CD1-CG 4.29Å; L296-P388 HydrophobicContact CD2-CG 3.85Å; F383-P388 HydrophobicContact CD1-CG 4.31Å; F383-P388 HydrophobicContact CD2-CG 4.44Å; F383-P388 HydrophobicContact CE1-CG 4.17Å; F383-P388 HydrophobicContact CE2-CG 4.31Å; F383-P388 HydrophobicContact CG-CG 4.44Å; F383-P388 HydrophobicContact CZ-CG 4.16Å
389	S	87	Confident	85.4	Confident	50 Å²	50	68.9 Å²	68.9	35%	0.35	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-88.5	155.6	176.5	-56.6	0	0	0	0	111.2
390	E	84.4	Confident	84.5	Confident	59 Å²	59	64.4 Å²	64.4	28%	0.276	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-53.6	148.6	166.5	-76.4	179.8	-174.8	0	0	110.6	P285 A286 F288 H392 R403	P285-E390 HydrophobicContact CB-CB 3.77Å; P285-E390 VanDerWaalsContact CB-O 3.24Å; P285-E390 WeakPolarHBondContact CB-O 3.45Å; A286-E390 PolarHBondContact O-N 2.94Å; F288-E390 HydrophobicContact CE1-CG 4.42Å; F288-E390 HydrophobicContact CZ-CG 4.26Å; E390-H392 PolarHBondContact O-N 2.88Å; E390-R403 IonicContact OE1-CZ 3.34Å; E390-R403 IonicContact OE1-NH2 3.73Å; E390-R403 PolarHBondContact OE1-NH2 2.98Å; E390-R403 IonicContact OE2-NH2 2.68Å
391	P	83.1	Confident	83.9	Confident	112 Å²	112	70.8 Å²	70.8	73%	0.727	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-62.6	137.5	-177.9	25.7	-34	0	0	0	111.1
392	H	84.9	Confident	83.2	Confident	97 Å²	97	67.1 Å²	67.1	45%	0.449	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-67.9	150.9	175.2	-69.5	62	0	0	0	110.8	E390 Y477	E390-H392 PolarHBondContact O-N 2.88Å; H392-Y477 AromaticContact CD2-CE1 3.81Å; H392-Y477 AromaticContact CD2-CE2 3.85Å; H392-Y477 AromaticContact CD2-CZ 3.61Å
393	I	83	Confident	82.4	Confident	24 Å²	24	73 Å²	73	12%	0.123	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-84.6	129.4	179	-60.1	-171.7	0	0	0	110.5	S395 D398 L402 L482	I393-S395 WeakPolarHBondContact CG2-O 3.46Å; I393-D398 HydrophobicContact CG2-CB 3.84Å; I393-L402 HydrophobicContact CD1-CD1 3.78Å; I393-L402 HydrophobicContact CD1-CD2 3.18Å; I393-L402 HydrophobicContact CD1-CG 3.2Å; I393-L402 HydrophobicContact CG1-CD2 4.36Å; I393-L482 HydrophobicContact CB-CD1 4.29Å; I393-L482 HydrophobicContact CG2-CD1 3.96Å; I393-L482 HydrophobicContact CG2-CD2 4.38Å
394	R	84.3	Confident	82.1	Confident	196 Å²	196	74.5 Å²	74.5	74%	0.74	37%	0.371	S	S	*	.			trans	-113.3	-6.7	-177.5	-58.3	-172.5	-179.5	-173.8	-1.5	114.2
395	S	85.8	Confident	82.2	Confident	45 Å²	45	77.1 Å²	77.1	32%	0.315	38%	0.382	S	S	.	.			trans	-139.7	145.3	-176.2	-171.9	0	0	0	0	113	I393 K397 D398	I393-S395 WeakPolarHBondContact CG2-O 3.46Å; S395-K397 PolarHBondContact O-N 3.08Å; S395-D398 WeakPolarHBondContact O-CB 3.39Å; S395-D398 PolarHBondContact O-N 2.85Å; S395-D398 VanDerWaalsContact O-N 3.09Å
396	F	84.4	Confident	82.5	Confident	12 Å²	12	71.6 Å²	71.6	5%	0.053	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-60.4	-30.9	174.8	-74.1	-85.6	0	0	0	112.9	L280 D398 I399 Q423 I427 L482 F484	L280-F396 HydrophobicContact CD1-CE1 4.28Å; F396-D398 PolarHBondContact O-N 3.23Å; F396-I399 HydrophobicContact CB-CD1 4.23Å; F396-I399 HydrophobicContact CD1-CD1 3.55Å; F396-I399 HydrophobicContact CE1-CD1 4.33Å; F396-I399 HydrophobicContact CG-CD1 4.26Å; F396-I399 VanDerWaalsContact O-CB 3.25Å; F396-I399 WeakPolarHBondContact O-CB 3.49Å; F396-I399 WeakPolarHBondContact O-CG1 3.31Å; F396-I399 PolarHBondContact O-N 3.11Å; F396-I399 VanDerWaalsContact O-N 3.16Å; F396-Q423 HydrophobicContact CD1-CB 4.32Å; F396-Q423 HydrophobicContact CD2-CB 3.81Å; F396-Q423 HydrophobicContact CD2-CG 3.96Å; F396-Q423 HydrophobicContact CE1-CB 4.42Å; F396-Q423 HydrophobicContact CE2-CB 3.9Å; F396-Q423 VanDerWaalsContact CE2-CD 3.46Å; F396-Q423 HydrophobicContact CE2-CG 4Å; F396-Q423 HydrophobicContact CG-CB 4.02Å; F396-Q423 HydrophobicContact CZ-CB 4.2Å; F396-I427 HydrophobicContact CD1-CD1 4.01Å; F396-I427 HydrophobicContact CD1-CG1 4.32Å; F396-L482 HydrophobicContact CD1-CD2 4.5Å; F396-L482 HydrophobicContact CD2-CD2 4.17Å; F396-L482 HydrophobicContact CE1-CB 4.47Å; F396-L482 HydrophobicContact CE2-CD2 4.38Å; F396-L482 HydrophobicContact CG-CD2 4.24Å; F396-L482 HydrophobicContact CZ-CB 4.23Å; F396-F484 AromaticContact CD1-CE1 3.91Å; F396-F484 HydrophobicContact CD1-CE1 3.91Å; F396-F484 HydrophobicContact CD1-CZ 4.41Å; F396-F484 AromaticContact CE1-CD1 3.73Å; F396-F484 HydrophobicContact CE1-CD1 3.73Å; F396-F484 AromaticContact CE1-CE1 3.29Å; F396-F484 HydrophobicContact CE1-CE1 3.29Å; F396-F484 HydrophobicContact CE1-CG 4.45Å; F396-F484 AromaticContact CE1-CZ 3.74Å; F396-F484 HydrophobicContact CE1-CZ 3.74Å; F396-F484 AromaticContact CZ-CD1 3.89Å; F396-F484 HydrophobicContact CZ-CD1 3.89Å; F396-F484 AromaticContact CZ-CE1 3.95Å; F396-F484 HydrophobicContact CZ-CE1 3.95Å; F396-F484 HydrophobicContact CZ-CG 4.46Å
397	K	80.7	Confident	82.8	Confident	148 Å²	148	67.2 Å²	67.2	64%	0.643	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-64.4	-30.5	176.4	-64.3	-176.6	-179.8	-179	0	112.4	S395 I399	S395-K397 PolarHBondContact O-N 3.08Å; K397-I399 VanDerWaalsContact C-N 3.28Å; K397-I399 PolarHBondContact O-N 3.45Å
398	D	79.4	Confident	83.1	Confident	51 Å²	51	66.9 Å²	66.9	27%	0.273	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-82.4	-5.2	-179.8	-66.6	-41.3	0	0	0	112.7	I393 S395 F396 G400 K401	I393-D398 HydrophobicContact CG2-CB 3.84Å; S395-D398 WeakPolarHBondContact O-CB 3.39Å; S395-D398 PolarHBondContact O-N 2.85Å; S395-D398 VanDerWaalsContact O-N 3.09Å; F396-D398 PolarHBondContact O-N 3.23Å; D398-G400 PolarHBondContact O-N 2.89Å; D398-K401 HydrophobicContact CB-CD 4.27Å; D398-K401 WeakPolarHBondContact O-CA 3.45Å; D398-K401 VanDerWaalsContact O-CB 3.28Å; D398-K401 WeakPolarHBondContact O-CB 3.4Å; D398-K401 PolarHBondContact O-N 3.43Å; D398-K401 VanDerWaalsContact OD1-CE 3.3Å; D398-K401 WeakPolarHBondContact OD1-CE 3.22Å; D398-K401 IonicContact OD1-NZ 3.68Å; D398-K401 PolarHBondContact OD1-NZ 2.87Å
399	I	81.3	Confident	83.2	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-57.8	-31.4	172.5	-68.5	172.7	0	0	0	110.7	L280 F396 K397 K401 L402 I427	L280-I399 HydrophobicContact CD1-CD1 3.54Å; L280-I399 HydrophobicContact CD1-CG1 4.32Å; F396-I399 HydrophobicContact CB-CD1 4.23Å; F396-I399 HydrophobicContact CD1-CD1 3.55Å; F396-I399 HydrophobicContact CE1-CD1 4.33Å; F396-I399 HydrophobicContact CG-CD1 4.26Å; F396-I399 VanDerWaalsContact O-CB 3.25Å; F396-I399 WeakPolarHBondContact O-CB 3.49Å; F396-I399 WeakPolarHBondContact O-CG1 3.31Å; F396-I399 PolarHBondContact O-N 3.11Å; F396-I399 VanDerWaalsContact O-N 3.16Å; K397-I399 VanDerWaalsContact C-N 3.28Å; K397-I399 PolarHBondContact O-N 3.45Å; I399-K401 PolarHBondContact O-N 3.49Å; I399-L402 HydrophobicContact CB-CD1 4.29Å; I399-L402 HydrophobicContact CG1-CD1 4.33Å; I399-L402 HydrophobicContact CG2-CD1 4.08Å; I399-L402 VanDerWaalsContact O-CB 3.26Å; I399-L402 WeakPolarHBondContact O-CB 3.49Å; I399-L402 PolarHBondContact O-N 3.25Å; I399-I427 HydrophobicContact CD1-CD1 3.83Å; I399-I427 HydrophobicContact CD1-CG1 4.09Å; I399-I427 HydrophobicContact CG2-CG2 3.98Å
400	G	71.4	Confident	83.3	Confident	25 Å²	25	64.4 Å²	64.4	26%	0.258	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-66	-15.9	174.3	0	0	0	0	0	114.8	D398 H431	D398-G400 PolarHBondContact O-N 2.89Å; G400-H431 VanDerWaalsContact CA-CD2 3.48Å; G400-H431 WeakPolarHBondContact CA-CD2 3.38Å; G400-H431 PolarHBondContact O-CE1 3.48Å; G400-H431 VanDerWaalsContact O-CE1 3.22Å; G400-H431 PolarHBondContact O-NE2 2.93Å
401	K	76.9	Confident	83.3	Confident	163 Å²	163	64.4 Å²	64.4	71%	0.709	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-86.7	-11.9	173.6	-59.6	173.4	178.7	162.9	0	112.3	D398 I399 R403	D398-K401 HydrophobicContact CB-CD 4.27Å; D398-K401 WeakPolarHBondContact O-CA 3.45Å; D398-K401 VanDerWaalsContact O-CB 3.28Å; D398-K401 WeakPolarHBondContact O-CB 3.4Å; D398-K401 PolarHBondContact O-N 3.43Å; D398-K401 VanDerWaalsContact OD1-CE 3.3Å; D398-K401 WeakPolarHBondContact OD1-CE 3.22Å; D398-K401 IonicContact OD1-NZ 3.68Å; D398-K401 PolarHBondContact OD1-NZ 2.87Å; I399-K401 PolarHBondContact O-N 3.49Å; K401-R403 PolarHBondContact O-N 3.49Å
402	L	74.8	Confident	83.5	Confident	29 Å²	29	61.2 Å²	61.2	15%	0.152	28%	0.284	C	S	.	.			trans	-63.7	137.3	174.2	-74.4	162	0	0	0	110	V282 I393 I399 H404	V282-L402 HydrophobicContact CG1-CD2 4.21Å; I393-L402 HydrophobicContact CD1-CD1 3.78Å; I393-L402 HydrophobicContact CD1-CD2 3.18Å; I393-L402 HydrophobicContact CD1-CG 3.2Å; I393-L402 HydrophobicContact CG1-CD2 4.36Å; I399-L402 HydrophobicContact CB-CD1 4.29Å; I399-L402 HydrophobicContact CG1-CD1 4.33Å; I399-L402 HydrophobicContact CG2-CD1 4.08Å; I399-L402 VanDerWaalsContact O-CB 3.26Å; I399-L402 WeakPolarHBondContact O-CB 3.49Å; I399-L402 PolarHBondContact O-N 3.25Å; L402-H404 WeakPolarHBondContact CB-O 3.26Å; L402-H404 PolarHBondContact O-N 3.03Å
403	R	74.8	Confident	83.8	Confident	188 Å²	188	56.7 Å²	56.7	71%	0.709	26%	0.263	S	S	*	.	S	Bend	trans	-63.6	-32.1	170.8	-59.3	-175.7	-170.8	-172.5	6.3	111.1	E390 K401	E390-R403 IonicContact OE1-CZ 3.34Å; E390-R403 IonicContact OE1-NH2 3.73Å; E390-R403 PolarHBondContact OE1-NH2 2.98Å; E390-R403 IonicContact OE2-NH2 2.68Å; K401-R403 PolarHBondContact O-N 3.49Å
404	H	81.7	Confident	84	Confident	67 Å²	67	60.6 Å²	60.6	31%	0.31	28%	0.284	S	S	.	.	S	Bend	trans	-106.3	144.8	-174.5	-54.2	113.1	0	0	0	112.5	Q283 L402 N453	Q283-H404 PolarHBondContact NE2-ND1 3.13Å; Q283-H404 PolarHBondContact OE1-CE1 3.03Å; Q283-H404 PolarHBondContact OE1-ND1 3.22Å; L402-H404 WeakPolarHBondContact CB-O 3.26Å; L402-H404 PolarHBondContact O-N 3.03Å; H404-N453 PolarHBondContact O-ND2 3.46Å
405	K	88.1	Confident	84.2	Confident	97 Å²	97	52.3 Å²	52.3	42%	0.422	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	150.8	178	-62.2	-175.2	-178.7	179.7	0	110.7	K430 H431 C433 Y452 N453	K405-K430 WeakPolarHBondContact CE-O 3.5Å; K405-H431 WeakPolarHBondContact CA-O 3.09Å; K405-C433 WeakPolarHBondContact CD-SG 3.44Å; K405-Y452 HydrophobicContact CB-CD1 4.17Å; K405-Y452 HydrophobicContact CB-CE1 4.47Å; K405-Y452 CarbonylContact O-C 3.47Å; K405-Y452 WeakPolarHBondContact O-CA 3.44Å; K405-N453 PolarHBondContact O-N 3.34Å
406	T	89.4	Confident	84.3	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	129.2	171.9	-61.4	0	0	0	0	109.4	L280 H431 L432 C433 N453	L280-T406 HydrophobicContact CD2-CG2 3.49Å; L280-T406 VanDerWaalsContact CD2-CG2 3.49Å; T406-H431 PolarHBondContact N-O 3.47Å; T406-L432 HydrophobicContact CG2-CD2 4.39Å; T406-L432 WeakPolarHBondContact O-CA 2.97Å; T406-C433 PolarHBondContact O-N 3.32Å; T406-N453 CarbonylContact C-O 3.56Å; T406-N453 WeakPolarHBondContact CA-O 3.42Å
407	I	91.1	Very high	84.5	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.4	179.1	-164.1	-179.5	0	0	0	110.9	C433 Y435 W441 M444 Y452 N453 Y454	I407-C433 WeakPolarHBondContact CA-O 3.36Å; I407-C433 HydrophobicContact CB-CB 4.43Å; I407-C433 HydrophobicContact CG1-CB 4.17Å; I407-C433 WeakPolarHBondContact CG1-O 3.41Å; I407-Y435 HydrophobicContact CD1-CD2 4.03Å; I407-Y435 HydrophobicContact CD1-CG 4.3Å; I407-W441 PolarHBondContact O-NE1 3.3Å; I407-M444 HydrophobicContact CD1-CE 3.6Å; I407-M444 HydrophobicContact CD1-SD 4.41Å; I407-Y452 HydrophobicContact CB-CD1 4.16Å; I407-Y452 HydrophobicContact CB-CG 4.13Å; I407-Y452 HydrophobicContact CG2-CG 4.19Å; I407-N453 WeakPolarHBondContact CG2-O 3.35Å; I407-N453 PolarHBondContact N-O 2.6Å; I407-Y454 HydrophobicContact CG2-CD1 3.34Å; I407-Y454 HydrophobicContact CG2-CE1 3.4Å; I407-Y454 HydrophobicContact CG2-CG 4.19Å
408	I	90.8	Very high	84.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.6	-178.4	-172.6	169.7	0	0	0	109.8	E412 A413 L416 F424 C433 I434 Y435 L455	I408-E412 HydrophobicContact CD1-CB 4.01Å; I408-E412 HydrophobicContact CG1-CB 3.79Å; I408-A413 HydrophobicContact CD1-CB 4.02Å; I408-A413 HydrophobicContact CG1-CB 4.28Å; I408-A413 HydrophobicContact CG2-CB 4.17Å; I408-L416 HydrophobicContact CD1-CD1 3.74Å; I408-F424 HydrophobicContact CD1-CD2 4.44Å; I408-F424 HydrophobicContact CD1-CE2 3.69Å; I408-F424 HydrophobicContact CD1-CZ 4.26Å; I408-C433 PolarHBondContact N-O 3.09Å; I408-I434 HydrophobicContact CG2-CG1 3.99Å; I408-I434 WeakPolarHBondContact O-CA 3.32Å; I408-Y435 PolarHBondContact O-N 3.3Å; I408-L455 HydrophobicContact CB-CD1 3.87Å; I408-L455 HydrophobicContact CD1-CD1 3.52Å; I408-L455 HydrophobicContact CG1-CD1 3.61Å
409	T	90.3	Very high	84.9	Confident	9 Å²	9	51.7 Å²	51.7	6%	0.055	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	152.5	173.8	65.4	0	0	0	0	111.4	I411 E412 A413 Y435 W438 W441	T409-I411 PolarHBondContact O-N 3.47Å; T409-E412 PolarHBondContact N-OE2 2.94Å; T409-E412 PolarHBondContact O-N 2.87Å; T409-E412 WeakPolarHBondContact OG1-CB 3.48Å; T409-E412 WeakPolarHBondContact OG1-CG 3.28Å; T409-E412 PolarHBondContact OG1-N 3.07Å; T409-E412 PolarHBondContact OG1-OE2 3.37Å; T409-A413 WeakPolarHBondContact O-CB 3.49Å; T409-A413 PolarHBondContact O-N 3.28Å; T409-Y435 WeakPolarHBondContact CA-O 3.42Å; T409-W438 HydrophobicContact CG2-CB 4.38Å; T409-W441 HydrophobicContact CG2-CB 4.11Å; T409-W441 HydrophobicContact CG2-CD2 3.51Å; T409-W441 HydrophobicContact CG2-CE3 3.65Å; T409-W441 HydrophobicContact CG2-CG 3.69Å; T409-W441 HydrophobicContact CG2-CZ3 4.19Å
410	A	88.4	Confident	85	Confident	26 Å²	26	57.1 Å²	57.1	22%	0.215	29%	0.294	C	S	.	.	H	α-helix	trans	-57.8	-35	174.8	0	0	0	0	0	112.6	N414 I434 Y435	A410-N414 WeakPolarHBondContact O-CB 3.16Å; A410-N414 PolarHBondContact O-N 3.29Å; A410-N414 PolarHBondContact O-ND2 3.17Å; A410-I434 HydrophobicContact CB-CG2 3.98Å; A410-Y435 PolarHBondContact N-O 2.79Å
411	I	84.9	Confident	85.6	Confident	60 Å²	60	57.2 Å²	57.2	31%	0.308	29%	0.289	S	S	.	.	H	α-helix	trans	-64.1	-52.8	178.2	-59.9	169.2	0	0	0	110.2	S238 T240 T409 A413 N414 V415	S238-I411 VanDerWaalsContact OG-CD1 3.3Å; S238-I411 WeakPolarHBondContact OG-CD1 3.25Å; T240-I411 HydrophobicContact CG2-CD1 4.32Å; T240-I411 HydrophobicContact CG2-CG2 4.14Å; T409-I411 PolarHBondContact O-N 3.47Å; I411-A413 PolarHBondContact O-N 3.35Å; I411-N414 PolarHBondContact O-N 3.38Å; I411-V415 WeakPolarHBondContact O-CG2 3.33Å; I411-V415 PolarHBondContact O-N 2.93Å; I411-V415 VanDerWaalsContact O-N 3.11Å
412	E	87.9	Confident	86	Confident	45 Å²	45	54 Å²	54	21%	0.21	28%	0.283	C	S	.	.	H	α-helix	trans	-65.2	-39.4	-179.9	-69.1	161.6	155	0	0	111.8	Y278 I408 T409 V415 L416	Y278-E412 PolarHBondContact OH-OE1 3.42Å; I408-E412 HydrophobicContact CD1-CB 4.01Å; I408-E412 HydrophobicContact CG1-CB 3.79Å; T409-E412 PolarHBondContact N-OE2 2.94Å; T409-E412 PolarHBondContact O-N 2.87Å; T409-E412 WeakPolarHBondContact OG1-CB 3.48Å; T409-E412 WeakPolarHBondContact OG1-CG 3.28Å; T409-E412 PolarHBondContact OG1-N 3.07Å; T409-E412 PolarHBondContact OG1-OE2 3.37Å; E412-V415 PolarHBondContact O-N 3.3Å; E412-L416 WeakPolarHBondContact O-CG 3.48Å; E412-L416 PolarHBondContact O-N 3.41Å
413	A	89.4	Confident	86.5	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-45.5	177.1	0	0	0	0	0	111.4	I408 T409 I411 V415 L416 I417 F424 I434	I408-A413 HydrophobicContact CD1-CB 4.02Å; I408-A413 HydrophobicContact CG1-CB 4.28Å; I408-A413 HydrophobicContact CG2-CB 4.17Å; T409-A413 WeakPolarHBondContact O-CB 3.49Å; T409-A413 PolarHBondContact O-N 3.28Å; I411-A413 PolarHBondContact O-N 3.35Å; A413-V415 VanDerWaalsContact C-N 3.3Å; A413-V415 PolarHBondContact O-N 3.16Å; A413-L416 PolarHBondContact O-N 3.08Å; A413-I417 WeakPolarHBondContact O-CB 3.42Å; A413-I417 WeakPolarHBondContact O-CD1 3.4Å; A413-I417 WeakPolarHBondContact O-CG1 3.3Å; A413-I417 PolarHBondContact O-N 2.88Å; A413-F424 HydrophobicContact CB-CZ 4.13Å; A413-I434 HydrophobicContact CB-CD1 4.32Å; A413-I434 HydrophobicContact CB-CG1 4.46Å; A413-I434 HydrophobicContact CB-CG2 4.49Å
414	N	88.9	Confident	87	Confident	107 Å²	107	47.4 Å²	47.4	57%	0.572	26%	0.259	S	S	*	.	H	α-helix	trans	-61.6	-39.5	177.5	-73.7	-18.2	0	0	0	111.8	A410 I411 I417 S418	A410-N414 WeakPolarHBondContact O-CB 3.16Å; A410-N414 PolarHBondContact O-N 3.29Å; A410-N414 PolarHBondContact O-ND2 3.17Å; I411-N414 PolarHBondContact O-N 3.38Å; N414-I417 PolarHBondContact O-N 2.95Å; N414-S418 VanDerWaalsContact O-CB 3.26Å; N414-S418 WeakPolarHBondContact O-CB 3.46Å; N414-S418 PolarHBondContact O-N 2.95Å; N414-S418 PolarHBondContact O-OG 3.05Å
415	V	87	Confident	87.1	Confident	22 Å²	22	48.6 Å²	48.6	13%	0.133	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-48.8	175.8	171.7	0	0	0	0	111	L261 N262 I411 E412 A413 I417 S418 T419	L261-V415 HydrophobicContact CB-CG1 3.82Å; L261-V415 WeakPolarHBondContact O-CG1 3.44Å; N262-V415 WeakPolarHBondContact OD1-CG1 3.42Å; N262-V415 WeakPolarHBondContact OD1-CG2 3.18Å; I411-V415 WeakPolarHBondContact O-CG2 3.33Å; I411-V415 PolarHBondContact O-N 2.93Å; I411-V415 VanDerWaalsContact O-N 3.11Å; E412-V415 PolarHBondContact O-N 3.3Å; A413-V415 VanDerWaalsContact C-N 3.3Å; A413-V415 PolarHBondContact O-N 3.16Å; V415-I417 VanDerWaalsContact C-N 3.29Å; V415-I417 PolarHBondContact O-N 3.48Å; V415-S418 WeakPolarHBondContact CA-OG 3.46Å; V415-S418 PolarHBondContact O-N 3.14Å; V415-S418 PolarHBondContact O-OG 3.13Å; V415-T419 HydrophobicContact CG1-CG2 4.41Å; V415-T419 WeakPolarHBondContact O-CB 3.36Å; V415-T419 WeakPolarHBondContact O-CG2 3.45Å; V415-T419 PolarHBondContact O-N 3.02Å; V415-T419 PolarHBondContact O-OG1 3.41Å
416	L	88.3	Confident	86.9	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-34.7	178.9	-68	176.2	0	0	0	112.7	Y278 I408 E412 A413 T419 N421 F424 F484	Y278-L416 HydrophobicContact CE1-CD1 4.42Å; I408-L416 HydrophobicContact CD1-CD1 3.74Å; E412-L416 WeakPolarHBondContact O-CG 3.48Å; E412-L416 PolarHBondContact O-N 3.41Å; A413-L416 PolarHBondContact O-N 3.08Å; L416-T419 WeakPolarHBondContact CA-OG1 3.1Å; L416-T419 PolarHBondContact O-OG1 3.13Å; L416-N421 HydrophobicContact CB-CB 4.46Å; L416-N421 HydrophobicContact CD2-CB 4.33Å; L416-N421 WeakPolarHBondContact O-CB 3.36Å; L416-N421 PolarHBondContact O-N 3.49Å; L416-N421 VanDerWaalsContact O-N 3.08Å; L416-F424 HydrophobicContact CB-CB 4.15Å; L416-F424 HydrophobicContact CB-CD1 3.97Å; L416-F424 HydrophobicContact CB-CD2 4.31Å; L416-F424 HydrophobicContact CB-CE1 4.49Å; L416-F424 HydrophobicContact CB-CG 3.87Å; L416-F424 HydrophobicContact CD1-CB 4.3Å; L416-F424 HydrophobicContact CD1-CD2 3.6Å; L416-F424 HydrophobicContact CD1-CE2 4.08Å; L416-F424 HydrophobicContact CD1-CG 3.95Å; L416-F484 HydrophobicContact CD1-CD2 3.81Å; L416-F484 HydrophobicContact CD1-CE2 3.82Å; L416-F484 HydrophobicContact CD1-CG 4.16Å; L416-F484 HydrophobicContact CD1-CZ 4.26Å; L416-F484 HydrophobicContact CD2-CB 4.05Å; L416-F484 HydrophobicContact CD2-CD2 4.48Å; L416-F484 HydrophobicContact CD2-CG 4.2Å
417	I	88.6	Confident	86.7	Confident	83 Å²	83	48.5 Å²	48.5	43%	0.426	27%	0.271	S	S	.	.	H	α-helix	trans	-69.3	-47.2	174.1	-66.9	163.8	0	0	0	110.4	A413 N414 V415 T419 N420 F424	A413-I417 WeakPolarHBondContact O-CB 3.42Å; A413-I417 WeakPolarHBondContact O-CD1 3.4Å; A413-I417 WeakPolarHBondContact O-CG1 3.3Å; A413-I417 PolarHBondContact O-N 2.88Å; N414-I417 PolarHBondContact O-N 2.95Å; V415-I417 VanDerWaalsContact C-N 3.29Å; V415-I417 PolarHBondContact O-N 3.48Å; I417-T419 VanDerWaalsContact C-N 3.29Å; I417-T419 PolarHBondContact O-N 3.08Å; I417-N420 PolarHBondContact O-N 2.8Å; I417-F424 HydrophobicContact CD1-CE1 4.06Å; I417-F424 HydrophobicContact CG1-CD1 4.05Å; I417-F424 HydrophobicContact CG1-CE1 3.62Å
418	S	86.1	Confident	86.3	Confident	94 Å²	94	50.8 Å²	50.8	66%	0.657	29%	0.286	S	S	*	.	H	α-helix	trans	-66	-31.7	-176.8	69.8	0	0	0	0	113.1	N414 V415 N420	N414-S418 VanDerWaalsContact O-CB 3.26Å; N414-S418 WeakPolarHBondContact O-CB 3.46Å; N414-S418 PolarHBondContact O-N 2.95Å; N414-S418 PolarHBondContact O-OG 3.05Å; V415-S418 WeakPolarHBondContact CA-OG 3.46Å; V415-S418 PolarHBondContact O-N 3.14Å; V415-S418 PolarHBondContact O-OG 3.13Å; S418-N420 PolarHBondContact O-N 3.34Å
419	T	82.6	Confident	85.9	Confident	62 Å²	62	60 Å²	60	38%	0.38	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	2.6	174.7	53.9	0	0	0	0	113.3	V415 L416 I417 N421	V415-T419 HydrophobicContact CG1-CG2 4.41Å; V415-T419 WeakPolarHBondContact O-CB 3.36Å; V415-T419 WeakPolarHBondContact O-CG2 3.45Å; V415-T419 PolarHBondContact O-N 3.02Å; V415-T419 PolarHBondContact O-OG1 3.41Å; L416-T419 WeakPolarHBondContact CA-OG1 3.1Å; L416-T419 PolarHBondContact O-OG1 3.13Å; I417-T419 VanDerWaalsContact C-N 3.29Å; I417-T419 PolarHBondContact O-N 3.08Å; T419-N421 VanDerWaalsContact C-N 3.28Å; T419-N421 PolarHBondContact O-N 3.01Å
420	N	83.8	Confident	85.6	Confident	115 Å²	115	66.6 Å²	66.6	62%	0.615	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	43.9	-177.4	-161.5	23.8	0	0	0	113.1	I417 S418 T422 L425	I417-N420 PolarHBondContact O-N 2.8Å; S418-N420 PolarHBondContact O-N 3.34Å; N420-T422 PolarHBondContact O-N 3.41Å; N420-T422 VanDerWaalsContact O-N 3.11Å; N420-L425 VanDerWaalsContact OD1-CD1 3.32Å; N420-L425 WeakPolarHBondContact OD1-CD1 3.32Å
421	N	84.1	Confident	85.4	Confident	27 Å²	27	66.7 Å²	66.7	14%	0.144	35%	0.35	C	S	.	.			trans	-68.2	109.9	-178.8	-172.1	-70.5	0	0	0	110.7	L416 T419 Q423 F424 L425 F484	L416-N421 HydrophobicContact CB-CB 4.46Å; L416-N421 HydrophobicContact CD2-CB 4.33Å; L416-N421 WeakPolarHBondContact O-CB 3.36Å; L416-N421 PolarHBondContact O-N 3.49Å; L416-N421 VanDerWaalsContact O-N 3.08Å; T419-N421 VanDerWaalsContact C-N 3.28Å; T419-N421 PolarHBondContact O-N 3.01Å; N421-Q423 VanDerWaalsContact C-N 3.3Å; N421-Q423 PolarHBondContact O-N 2.95Å; N421-Q423 WeakPolarHBondContact OD1-CB 3.44Å; N421-Q423 PolarHBondContact OD1-N 3.29Å; N421-F424 HydrophobicContact CB-CB 4.2Å; N421-F424 PolarHBondContact O-N 2.02Å; N421-F424 PolarHBondContact OD1-N 3.05Å; N421-L425 WeakPolarHBondContact O-CG 3.38Å; N421-L425 PolarHBondContact O-N 3.46Å; N421-L425 VanDerWaalsContact O-N 3.16Å; N421-F484 PolarHBondContact ND2-O 3.31Å; N421-F484 VanDerWaalsContact ND2-O 3.17Å
422	T	84.8	Confident	85.6	Confident	97 Å²	97	65.2 Å²	65.2	60%	0.595	34%	0.343	S	S	*	.	H	α-helix	trans	-60.1	-38.8	-175.8	54	0	0	0	0	112.7	N420 F424 L425 D426	N420-T422 PolarHBondContact O-N 3.41Å; N420-T422 VanDerWaalsContact O-N 3.11Å; T422-F424 PolarHBondContact O-N 2.7Å; T422-L425 PolarHBondContact O-N 2.89Å; T422-D426 PolarHBondContact O-N 3.3Å
423	Q	85.3	Confident	85.7	Confident	66 Å²	66	64.5 Å²	64.5	31%	0.308	34%	0.343	S	S	.	.	H	α-helix	trans	-67.4	-35.9	-178.8	-63	173.3	-29.4	0	0	112.2	F396 N421 I427 C483 F484	F396-Q423 HydrophobicContact CD1-CB 4.32Å; F396-Q423 HydrophobicContact CD2-CB 3.81Å; F396-Q423 HydrophobicContact CD2-CG 3.96Å; F396-Q423 HydrophobicContact CE1-CB 4.42Å; F396-Q423 HydrophobicContact CE2-CB 3.9Å; F396-Q423 VanDerWaalsContact CE2-CD 3.46Å; F396-Q423 HydrophobicContact CE2-CG 4Å; F396-Q423 HydrophobicContact CG-CB 4.02Å; F396-Q423 HydrophobicContact CZ-CB 4.2Å; N421-Q423 VanDerWaalsContact C-N 3.3Å; N421-Q423 PolarHBondContact O-N 2.95Å; N421-Q423 WeakPolarHBondContact OD1-CB 3.44Å; N421-Q423 PolarHBondContact OD1-N 3.29Å; Q423-I427 WeakPolarHBondContact O-CG1 3.41Å; Q423-C483 PolarHBondContact OE1-O 3.22Å; Q423-F484 HydrophobicContact CB-CD1 4.18Å; Q423-F484 HydrophobicContact CB-CE1 4.4Å
424	F	85.6	Confident	85.6	Confident	11 Å²	11	69.2 Å²	69.2	5%	0.048	37%	0.367	C	S	.	.	H	α-helix	trans	-70	-41.9	175.1	-178.3	-103.1	0	0	0	111.7	I408 A413 L416 I417 N421 T422 D426 I427 L432 F484	I408-F424 HydrophobicContact CD1-CD2 4.44Å; I408-F424 HydrophobicContact CD1-CE2 3.69Å; I408-F424 HydrophobicContact CD1-CZ 4.26Å; A413-F424 HydrophobicContact CB-CZ 4.13Å; L416-F424 HydrophobicContact CB-CB 4.15Å; L416-F424 HydrophobicContact CB-CD1 3.97Å; L416-F424 HydrophobicContact CB-CD2 4.31Å; L416-F424 HydrophobicContact CB-CE1 4.49Å; L416-F424 HydrophobicContact CB-CG 3.87Å; L416-F424 HydrophobicContact CD1-CB 4.3Å; L416-F424 HydrophobicContact CD1-CD2 3.6Å; L416-F424 HydrophobicContact CD1-CE2 4.08Å; L416-F424 HydrophobicContact CD1-CG 3.95Å; I417-F424 HydrophobicContact CD1-CE1 4.06Å; I417-F424 HydrophobicContact CG1-CD1 4.05Å; I417-F424 HydrophobicContact CG1-CE1 3.62Å; N421-F424 HydrophobicContact CB-CB 4.2Å; N421-F424 PolarHBondContact O-N 2.02Å; N421-F424 PolarHBondContact OD1-N 3.05Å; T422-F424 PolarHBondContact O-N 2.7Å; F424-D426 VanDerWaalsContact C-N 3.28Å; F424-D426 PolarHBondContact O-N 3.23Å; F424-I427 HydrophobicContact CD2-CD1 4.4Å; F424-I427 WeakPolarHBondContact O-CB 3.18Å; F424-I427 PolarHBondContact O-N 2.95Å; F424-L432 HydrophobicContact CE2-CD1 4.07Å; F424-L432 HydrophobicContact CE2-CD2 4.47Å; F424-L432 HydrophobicContact CZ-CD1 4.1Å; F424-F484 HydrophobicContact CB-CD1 4.2Å; F424-F484 HydrophobicContact CB-CE1 3.74Å; F424-F484 HydrophobicContact CB-CZ 4.33Å; F424-F484 HydrophobicContact CD2-CE1 4.05Å; F424-F484 HydrophobicContact CD2-CE2 4.42Å; F424-F484 AromaticContact CD2-CZ 3.76Å; F424-F484 HydrophobicContact CD2-CZ 3.76Å; F424-F484 HydrophobicContact CG-CE1 4.41Å
425	L	84.6	Confident	85.6	Confident	92 Å²	92	68.3 Å²	68.3	48%	0.482	36%	0.356	S	S	.	.	H	α-helix	trans	-67	-28.1	179.1	-65.8	173.1	0	0	0	113	N420 N421 T422 I427	N420-L425 VanDerWaalsContact OD1-CD1 3.32Å; N420-L425 WeakPolarHBondContact OD1-CD1 3.32Å; N421-L425 WeakPolarHBondContact O-CG 3.38Å; N421-L425 PolarHBondContact O-N 3.46Å; N421-L425 VanDerWaalsContact O-N 3.16Å; T422-L425 PolarHBondContact O-N 2.89Å; L425-I427 PolarHBondContact O-N 3.04Å
426	D	83.9	Confident	85.4	Confident	91 Å²	91	75.8 Å²	75.8	49%	0.487	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.5	174.8	-82.4	-5.4	0	0	0	113.4	T422 F424	T422-D426 PolarHBondContact O-N 3.3Å; F424-D426 VanDerWaalsContact C-N 3.28Å; F424-D426 PolarHBondContact O-N 3.23Å
427	I	83.8	Confident	85.3	Confident	7 Å²	7	78.8 Å²	78.8	4%	0.036	41%	0.405	C	S	.	.	S	Bend	trans	-77.8	126.3	-178.1	-52.6	175.2	0	0	0	109.8	F396 I399 Q423 F424 L425 K429 L432 F484	F396-I427 HydrophobicContact CD1-CD1 4.01Å; F396-I427 HydrophobicContact CD1-CG1 4.32Å; I399-I427 HydrophobicContact CD1-CD1 3.83Å; I399-I427 HydrophobicContact CD1-CG1 4.09Å; I399-I427 HydrophobicContact CG2-CG2 3.98Å; Q423-I427 WeakPolarHBondContact O-CG1 3.41Å; F424-I427 HydrophobicContact CD2-CD1 4.4Å; F424-I427 WeakPolarHBondContact O-CB 3.18Å; F424-I427 PolarHBondContact O-N 2.95Å; L425-I427 PolarHBondContact O-N 3.04Å; I427-K429 PolarHBondContact O-N 3.21Å; I427-L432 HydrophobicContact CB-CD1 4.02Å; I427-L432 HydrophobicContact CB-CD2 4.43Å; I427-L432 HydrophobicContact CB-CG 4.27Å; I427-L432 HydrophobicContact CD1-CD2 4.26Å; I427-L432 HydrophobicContact CG2-CD1 3.96Å; I427-L432 HydrophobicContact CG2-CD2 3.79Å; I427-L432 HydrophobicContact CG2-CG 3.65Å; I427-F484 HydrophobicContact CD1-CE1 4.05Å; I427-F484 HydrophobicContact CD1-CZ 3.81Å
428	P	82.7	Confident	85.1	Confident	49 Å²	49	76.8 Å²	76.8	32%	0.318	39%	0.392	S	S	.	.			trans	-65	127.5	178.3	-16.1	27.4	0	0	0	111.3	K430 H431	P428-K430 HydrophobicContact CB-CG 4.13Å; P428-K430 PolarHBondContact O-N 2.87Å; P428-H431 PolarHBondContact O-N 3.19Å
429	K	82.8	Confident	85.1	Confident	192 Å²	192	77.2 Å²	77.2	84%	0.835	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-50.7	-32.4	-177.2	-64.8	-174.2	179.7	-177.5	0	114.3	I427 H431 L432	I427-K429 PolarHBondContact O-N 3.21Å; K429-H431 PolarHBondContact O-N 3.16Å; K429-L432 PolarHBondContact O-N 2.88Å; K429-L432 VanDerWaalsContact O-N 3.12Å
430	K	84.8	Confident	85.3	Confident	149 Å²	149	77.6 Å²	77.6	65%	0.648	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-61.7	-23.8	177.5	59.9	166.2	174.5	156.2	0	114.5	K405 P428	K405-K430 WeakPolarHBondContact CE-O 3.5Å; P428-K430 HydrophobicContact CB-CG 4.13Å; P428-K430 PolarHBondContact O-N 2.87Å
431	H	84.7	Confident	85.6	Confident	28 Å²	28	72.4 Å²	72.4	13%	0.13	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-99.5	0.9	179.4	-64.3	-75.5	0	0	0	112.6	G400 K405 T406 P428 K429	G400-H431 VanDerWaalsContact CA-CD2 3.48Å; G400-H431 WeakPolarHBondContact CA-CD2 3.38Å; G400-H431 PolarHBondContact O-CE1 3.48Å; G400-H431 VanDerWaalsContact O-CE1 3.22Å; G400-H431 PolarHBondContact O-NE2 2.93Å; K405-H431 WeakPolarHBondContact CA-O 3.09Å; T406-H431 PolarHBondContact N-O 3.47Å; P428-H431 PolarHBondContact O-N 3.19Å; K429-H431 PolarHBondContact O-N 3.16Å
432	L	87.6	Confident	85.9	Confident	28 Å²	28	72.3 Å²	72.3	15%	0.147	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.6	174.6	-69.3	175.2	0	0	0	110.4	T406 F424 I427 K429	T406-L432 HydrophobicContact CG2-CD2 4.39Å; T406-L432 WeakPolarHBondContact O-CA 2.97Å; F424-L432 HydrophobicContact CE2-CD1 4.07Å; F424-L432 HydrophobicContact CE2-CD2 4.47Å; F424-L432 HydrophobicContact CZ-CD1 4.1Å; I427-L432 HydrophobicContact CB-CD1 4.02Å; I427-L432 HydrophobicContact CB-CD2 4.43Å; I427-L432 HydrophobicContact CB-CG 4.27Å; I427-L432 HydrophobicContact CD1-CD2 4.26Å; I427-L432 HydrophobicContact CG2-CD1 3.96Å; I427-L432 HydrophobicContact CG2-CD2 3.79Å; I427-L432 HydrophobicContact CG2-CG 3.65Å; K429-L432 PolarHBondContact O-N 2.88Å; K429-L432 VanDerWaalsContact O-N 3.12Å
433	C	89.4	Confident	86.2	Confident	31 Å²	31	70.2 Å²	70.2	21%	0.209	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	108.4	169.5	-74.8	0	0	0	0	108.7	K405 T406 I407 I408 Y452	K405-C433 WeakPolarHBondContact CD-SG 3.44Å; T406-C433 PolarHBondContact O-N 3.32Å; I407-C433 WeakPolarHBondContact CA-O 3.36Å; I407-C433 HydrophobicContact CB-CB 4.43Å; I407-C433 HydrophobicContact CG1-CB 4.17Å; I407-C433 WeakPolarHBondContact CG1-O 3.41Å; I408-C433 PolarHBondContact N-O 3.09Å; C433-Y452 HydrophobicContact CB-CE1 4.4Å
434	I	89.3	Confident	86.5	Confident	100 Å²	100	68.6 Å²	68.6	51%	0.513	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122.7	174.4	-56.9	175.1	0	0	0	107.8	I408 A410 A413	I408-I434 HydrophobicContact CG2-CG1 3.99Å; I408-I434 WeakPolarHBondContact O-CA 3.32Å; A410-I434 HydrophobicContact CB-CG2 3.98Å; A413-I434 HydrophobicContact CB-CD1 4.32Å; A413-I434 HydrophobicContact CB-CG1 4.46Å; A413-I434 HydrophobicContact CB-CG2 4.49Å
435	Y	87.3	Confident	86.8	Confident	88 Å²	88	69.2 Å²	69.2	35%	0.345	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.9	-179.1	-144	-92.7	0	0	0	110	I407 I408 T409 A410 N437 D440 M444	I407-Y435 HydrophobicContact CD1-CD2 4.03Å; I407-Y435 HydrophobicContact CD1-CG 4.3Å; I408-Y435 PolarHBondContact O-N 3.3Å; T409-Y435 WeakPolarHBondContact CA-O 3.42Å; A410-Y435 PolarHBondContact N-O 2.79Å; Y435-N437 HydrophobicContact CD1-CB 4.3Å; Y435-N437 WeakPolarHBondContact CD1-O 3.3Å; Y435-N437 HydrophobicContact CE1-CB 4.11Å; Y435-D440 HydrophobicContact CD1-CB 4.38Å; Y435-D440 HydrophobicContact CE1-CB 3.59Å; Y435-M444 HydrophobicContact CD2-CE 4.25Å; Y435-M444 HydrophobicContact CE1-CE 4.31Å; Y435-M444 HydrophobicContact CE2-CE 4Å; Y435-M444 HydrophobicContact CG-CE 4.49Å
436	E	83.8	Confident	87.1	Confident	178 Å²	178	67.4 Å²	67.4	83%	0.832	33%	0.329	S	S	*	.	S	Bend	trans	-80.2	-42.8	-177.9	-65.8	-172.3	172.7	0	0	112.2	W438	E436-W438 PolarHBondContact O-N 3.01Å
437	N	85.8	Confident	87.4	Confident	66 Å²	66	67.5 Å²	67.5	35%	0.353	33%	0.332	S	S	.	.			trans	-80.6	100.2	179.4	-172.8	-4.1	0	0	0	111.3	Y435 R439 D440 W441	Y435-N437 HydrophobicContact CD1-CB 4.3Å; Y435-N437 WeakPolarHBondContact CD1-O 3.3Å; Y435-N437 HydrophobicContact CE1-CB 4.11Å; N437-R439 PolarHBondContact O-N 2.61Å; N437-R439 WeakPolarHBondContact OD1-CB 3.26Å; N437-R439 PolarHBondContact OD1-N 2.97Å; N437-R439 VanDerWaalsContact OD1-N 3.1Å; N437-D440 HydrophobicContact CB-CB 4.42Å; N437-D440 PolarHBondContact ND2-OD1 2.72Å; N437-D440 PolarHBondContact ND2-OD2 3.29Å; N437-D440 PolarHBondContact O-N 3.21Å; N437-W441 PolarHBondContact O-N 3.44Å
438	W	83.7	Confident	87.7	Confident	42 Å²	42	67.4 Å²	67.4	16%	0.159	33%	0.332	C	S	.	.	H	α-helix	trans	-58.9	-28.2	179.9	70.8	-86.2	0	0	0	113.6	L192 I239 T409 E436 L442	L192-W438 HydrophobicContact CD2-CZ3 3.97Å; I239-W438 HydrophobicContact CD1-CD2 4.3Å; I239-W438 HydrophobicContact CD1-CE3 3.7Å; I239-W438 HydrophobicContact CD1-CH2 3.42Å; I239-W438 VanDerWaalsContact CD1-CH2 3.42Å; I239-W438 HydrophobicContact CD1-CZ2 4.03Å; I239-W438 HydrophobicContact CD1-CZ3 3.23Å; I239-W438 HydrophobicContact CG1-CE3 4.49Å; I239-W438 HydrophobicContact CG1-CH2 3.57Å; I239-W438 HydrophobicContact CG1-CZ2 3.82Å; I239-W438 HydrophobicContact CG1-CZ3 3.95Å; T409-W438 HydrophobicContact CG2-CB 4.38Å; E436-W438 PolarHBondContact O-N 3.01Å; W438-L442 HydrophobicContact CE3-CD1 3.29Å; W438-L442 HydrophobicContact CE3-CG 4.08Å; W438-L442 HydrophobicContact CH2-CD1 4.49Å; W438-L442 HydrophobicContact CZ3-CD1 3.21Å; W438-L442 HydrophobicContact CZ3-CG 4.42Å; W438-L442 WeakPolarHBondContact O-CG 3.23Å; W438-L442 PolarHBondContact O-N 3.36Å
439	R	86.4	Confident	88.2	Confident	103 Å²	103	67.6 Å²	67.6	39%	0.389	33%	0.33	S	S	.	.	H	α-helix	trans	-72.4	-43.4	-178.5	-63.9	-177.5	177.6	-153.3	-7.1	112.4	P235 N437 W441 L442 A443	P235-R439 PolarHBondContact O-NH2 2.99Å; P235-R439 VanDerWaalsContact O-NH2 3.11Å; N437-R439 PolarHBondContact O-N 2.61Å; N437-R439 WeakPolarHBondContact OD1-CB 3.26Å; N437-R439 PolarHBondContact OD1-N 2.97Å; N437-R439 VanDerWaalsContact OD1-N 3.1Å; R439-W441 VanDerWaalsContact C-N 3.27Å; R439-W441 PolarHBondContact O-N 3.31Å; R439-L442 WeakPolarHBondContact O-CB 3.35Å; R439-L442 PolarHBondContact O-N 3.06Å; R439-A443 PolarHBondContact O-N 2.93Å
440	D	88	Confident	88.5	Confident	69 Å²	69	60.8 Å²	60.8	37%	0.369	30%	0.303	S	S	.	.	H	α-helix	trans	-64.9	-38.7	176.8	-61.2	-17.2	0	0	0	110.2	Y435 N437 A443 M444	Y435-D440 HydrophobicContact CD1-CB 4.38Å; Y435-D440 HydrophobicContact CE1-CB 3.59Å; N437-D440 HydrophobicContact CB-CB 4.42Å; N437-D440 PolarHBondContact ND2-OD1 2.72Å; N437-D440 PolarHBondContact ND2-OD2 3.29Å; N437-D440 PolarHBondContact O-N 3.21Å; D440-A443 PolarHBondContact O-N 3.23Å; D440-M444 WeakPolarHBondContact O-CG 3.24Å; D440-M444 PolarHBondContact O-N 3.27Å
441	W	90	Very high	88.7	Confident	7 Å²	7	56.8 Å²	56.8	3%	0.027	29%	0.293	C	S	.	.	H	α-helix	trans	-59.2	-47.4	172.9	177.4	89.6	0	0	0	112	I407 T409 N437 R439 A443 M444 R445 L455	I407-W441 PolarHBondContact O-NE1 3.3Å; T409-W441 HydrophobicContact CG2-CB 4.11Å; T409-W441 HydrophobicContact CG2-CD2 3.51Å; T409-W441 HydrophobicContact CG2-CE3 3.65Å; T409-W441 HydrophobicContact CG2-CG 3.69Å; T409-W441 HydrophobicContact CG2-CZ3 4.19Å; N437-W441 PolarHBondContact O-N 3.44Å; R439-W441 VanDerWaalsContact C-N 3.27Å; R439-W441 PolarHBondContact O-N 3.31Å; W441-A443 VanDerWaalsContact C-N 3.33Å; W441-A443 PolarHBondContact O-N 3.48Å; W441-M444 PolarHBondContact O-N 2.99Å; W441-R445 VanDerWaalsContact CZ3-NH1 3.33Å; W441-R445 WeakPolarHBondContact O-CB 3.43Å; W441-R445 PolarHBondContact O-N 2.87Å; W441-L455 WeakPolarHBondContact CH2-O 3.41Å
442	L	89.4	Confident	89	Confident	24 Å²	24	58.7 Å²	58.7	13%	0.126	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-45.1	174.8	-74.1	179.5	0	0	0	111.6	L192 W438 R439 M444 R445 D446	L192-L442 HydrophobicContact CD2-CD1 3.61Å; W438-L442 HydrophobicContact CE3-CD1 3.29Å; W438-L442 HydrophobicContact CE3-CG 4.08Å; W438-L442 HydrophobicContact CH2-CD1 4.49Å; W438-L442 HydrophobicContact CZ3-CD1 3.21Å; W438-L442 HydrophobicContact CZ3-CG 4.42Å; W438-L442 WeakPolarHBondContact O-CG 3.23Å; W438-L442 PolarHBondContact O-N 3.36Å; R439-L442 WeakPolarHBondContact O-CB 3.35Å; R439-L442 PolarHBondContact O-N 3.06Å; L442-M444 PolarHBondContact O-N 3.34Å; L442-R445 PolarHBondContact O-N 3.28Å; L442-D446 VanDerWaalsContact O-CB 3.27Å; L442-D446 WeakPolarHBondContact O-CB 3.45Å; L442-D446 PolarHBondContact O-N 3.14Å
443	A	90.8	Very high	89.2	Confident	53 Å²	53	57.4 Å²	57.4	44%	0.438	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-42.8	179.1	0	0	0	0	0	112	R439 D440 W441 R445 D446 T447	R439-A443 PolarHBondContact O-N 2.93Å; D440-A443 PolarHBondContact O-N 3.23Å; W441-A443 VanDerWaalsContact C-N 3.33Å; W441-A443 PolarHBondContact O-N 3.48Å; A443-R445 VanDerWaalsContact C-N 3.35Å; A443-R445 PolarHBondContact O-N 2.82Å; A443-D446 PolarHBondContact O-N 2.66Å; A443-T447 WeakPolarHBondContact O-CB 3.4Å; A443-T447 VanDerWaalsContact O-CG2 3.25Å; A443-T447 WeakPolarHBondContact O-CG2 3.26Å; A443-T447 PolarHBondContact O-N 3.14Å; A443-T447 PolarHBondContact O-OG1 2.72Å
444	M	91.9	Very high	89.4	Confident	33 Å²	33	56 Å²	56	16%	0.163	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-40.8	176.1	-73.8	-174.2	-77.6	0	0	112.3	I407 Y435 D440 W441 L442 T447 F448 N449 Y452 Y454	I407-M444 HydrophobicContact CD1-CE 3.6Å; I407-M444 HydrophobicContact CD1-SD 4.41Å; Y435-M444 HydrophobicContact CD2-CE 4.25Å; Y435-M444 HydrophobicContact CE1-CE 4.31Å; Y435-M444 HydrophobicContact CE2-CE 4Å; Y435-M444 HydrophobicContact CG-CE 4.49Å; D440-M444 WeakPolarHBondContact O-CG 3.24Å; D440-M444 PolarHBondContact O-N 3.27Å; W441-M444 PolarHBondContact O-N 2.99Å; L442-M444 PolarHBondContact O-N 3.34Å; M444-T447 PolarHBondContact O-OG1 3.22Å; M444-F448 PolarHBondContact O-N 2.83Å; M444-N449 HydrophobicContact CB-CB 4.43Å; M444-N449 PolarHBondContact O-N 2.94Å; M444-N449 VanDerWaalsContact O-N 3.09Å; M444-Y452 HydrophobicContact SD-CE2 4.36Å; M444-Y454 HydrophobicContact CB-CE1 4.09Å; M444-Y454 PolarHBondContact O-OH 3.41Å
445	R	92.3	Very high	89.5	Confident	24 Å²	24	51.3 Å²	51.3	9%	0.091	26%	0.259	C	S	.	.	H	α-helix	trans	-66.8	-46.3	177	-172.2	-176.5	67	174.5	2.7	111.6	M281 W441 L442 A443 T447 F448 Y454 Y464	M281-R445 HydrophobicContact CE-CG 4.06Å; W441-R445 VanDerWaalsContact CZ3-NH1 3.33Å; W441-R445 WeakPolarHBondContact O-CB 3.43Å; W441-R445 PolarHBondContact O-N 2.87Å; L442-R445 PolarHBondContact O-N 3.28Å; A443-R445 VanDerWaalsContact C-N 3.35Å; A443-R445 PolarHBondContact O-N 2.82Å; R445-T447 VanDerWaalsContact C-N 3.28Å; R445-T447 PolarHBondContact O-N 3.15Å; R445-F448 PolarHBondContact O-N 3.35Å; R445-Y454 HydrophobicContact CB-CD1 3.61Å; R445-Y454 HydrophobicContact CB-CE1 3.92Å; R445-Y454 HydrophobicContact CB-CG 4.13Å; R445-Y454 HydrophobicContact CG-CD1 3.84Å; R445-Y454 HydrophobicContact CG-CG 3.85Å; R445-Y464 HydrophobicContact CG-CE2 4.28Å; R445-Y464 PolarHBondContact NE-OH 3.14Å
446	D	90.2	Very high	89.8	Confident	54 Å²	54	47.1 Å²	47.1	29%	0.289	24%	0.243	S	C	.	.	H	α-helix	trans	-69.2	-26.1	-177.8	-70.9	4.2	0	0	0	112.2	L442 A443 R460 Y464	L442-D446 VanDerWaalsContact O-CB 3.27Å; L442-D446 WeakPolarHBondContact O-CB 3.45Å; L442-D446 PolarHBondContact O-N 3.14Å; A443-D446 PolarHBondContact O-N 2.66Å; D446-R460 IonicContact OD1-CZ 3.3Å; D446-R460 IonicContact OD1-NE 3.19Å; D446-R460 IonicContact OD1-NH2 3.19Å; D446-R460 PolarHBondContact OD1-NH2 2.78Å; D446-R460 IonicContact OD2-NH2 3.29Å; D446-R460 PolarHBondContact OD2-NH2 3.29Å; D446-Y464 PolarHBondContact OD1-OH 3.45Å
447	T	90.3	Very high	90.2	Very high	92 Å²	92	39.5 Å²	39.5	56%	0.564	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	5.9	175.2	56.7	0	0	0	0	114	A443 M444 R445 N449	A443-T447 WeakPolarHBondContact O-CB 3.4Å; A443-T447 VanDerWaalsContact O-CG2 3.25Å; A443-T447 WeakPolarHBondContact O-CG2 3.26Å; A443-T447 PolarHBondContact O-N 3.14Å; A443-T447 PolarHBondContact O-OG1 2.72Å; M444-T447 PolarHBondContact O-OG1 3.22Å; R445-T447 VanDerWaalsContact C-N 3.28Å; R445-T447 PolarHBondContact O-N 3.15Å; T447-N449 VanDerWaalsContact C-N 3.32Å; T447-N449 PolarHBondContact O-N 2.71Å
448	F	91.3	Very high	90.6	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.022	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	40.1	-179.8	-64.8	-92.2	0	0	0	114	M444 R445 L450 Y464 Q468 F471 L475 F476 L539	M444-F448 PolarHBondContact O-N 2.83Å; R445-F448 PolarHBondContact O-N 3.35Å; F448-L450 PolarHBondContact O-N 3.44Å; F448-L450 VanDerWaalsContact O-N 3.12Å; F448-Y464 HydrophobicContact CE1-CD1 4.36Å; F448-Y464 HydrophobicContact CE1-CG 4.37Å; F448-Y464 HydrophobicContact CE2-CD1 4.21Å; F448-Y464 AromaticContact CZ-CD1 3.68Å; F448-Y464 HydrophobicContact CZ-CD1 3.68Å; F448-Y464 HydrophobicContact CZ-CG 4.04Å; F448-Q468 HydrophobicContact CE1-CG 3.84Å; F448-Q468 HydrophobicContact CZ-CG 4.1Å; F448-F471 HydrophobicContact CD2-CZ 4.43Å; F448-F471 HydrophobicContact CE2-CE2 4.5Å; F448-F471 HydrophobicContact CE2-CZ 4.22Å; F448-F471 HydrophobicContact CZ-CE2 4.45Å; F448-F471 HydrophobicContact CZ-CZ 4.47Å; F448-L475 HydrophobicContact CB-CD1 4Å; F448-F476 HydrophobicContact CB-CD2 4.49Å; F448-F476 HydrophobicContact CB-CE2 3.99Å; F448-F476 AromaticContact CD1-CD2 3.66Å; F448-F476 HydrophobicContact CD1-CD2 3.66Å; F448-F476 AromaticContact CD1-CE2 3.98Å; F448-F476 HydrophobicContact CD1-CE2 3.98Å; F448-F476 HydrophobicContact CE1-CD2 4.48Å; F448-L539 HydrophobicContact CD2-CD1 3.68Å; F448-L539 HydrophobicContact CE2-CD1 4.25Å
449	N	91.8	Very high	90.9	Very high	54 Å²	54	38.8 Å²	38.8	29%	0.289	21%	0.205	S	C	.	.			trans	-63.5	117.8	-178.9	176.5	-17.9	0	0	0	111.5	M444 T447 S451 Y454	M444-N449 HydrophobicContact CB-CB 4.43Å; M444-N449 PolarHBondContact O-N 2.94Å; M444-N449 VanDerWaalsContact O-N 3.09Å; T447-N449 VanDerWaalsContact C-N 3.32Å; T447-N449 PolarHBondContact O-N 2.71Å; N449-S451 PolarHBondContact O-N 3.43Å; N449-S451 VanDerWaalsContact OD1-CB 3.23Å; N449-S451 WeakPolarHBondContact OD1-CB 3.24Å; N449-S451 PolarHBondContact OD1-N 2.99Å; N449-S451 PolarHBondContact OD1-OG 3.2Å; N449-Y454 WeakPolarHBondContact CB-OH 3.19Å; N449-Y454 VanDerWaalsContact O-CE2 3.31Å; N449-Y454 WeakPolarHBondContact O-CE2 3.26Å; N449-Y454 PolarHBondContact O-OH 2.93Å
450	L	89.4	Confident	91.1	Very high	49 Å²	49	34.4 Å²	34.4	26%	0.257	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	2.1	-174.9	-57.7	175.6	0	0	0	114.6	Q283 F448 Y452 L475 F476	Q283-L450 HydrophobicContact CG-CD2 4.47Å; Q283-L450 VanDerWaalsContact NE2-C 3.28Å; Q283-L450 PolarHBondContact NE2-O 2.81Å; Q283-L450 PolarHBondContact OE1-O 2.97Å; F448-L450 PolarHBondContact O-N 3.44Å; F448-L450 VanDerWaalsContact O-N 3.12Å; L450-Y452 VanDerWaalsContact C-N 3.26Å; L450-Y452 PolarHBondContact O-N 3.42Å; L450-L475 HydrophobicContact CD1-CD2 4.47Å; L450-L475 HydrophobicContact CD2-CB 4.19Å; L450-L475 HydrophobicContact CD2-CD1 4.38Å; L450-L475 HydrophobicContact CD2-CD2 4.19Å; L450-L475 HydrophobicContact CD2-CG 4.5Å; L450-F476 HydrophobicContact CD2-CE2 3.71Å; L450-F476 HydrophobicContact CD2-CZ 4Å
451	S	89.5	Confident	91.4	Very high	65 Å²	65	33 Å²	33	46%	0.455	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-19.7	176	-53.6	0	0	0	0	112.5	N449	N449-S451 PolarHBondContact O-N 3.43Å; N449-S451 VanDerWaalsContact OD1-CB 3.23Å; N449-S451 WeakPolarHBondContact OD1-CB 3.24Å; N449-S451 PolarHBondContact OD1-N 2.99Å; N449-S451 PolarHBondContact OD1-OG 3.2Å
452	Y	91.2	Very high	91.5	Very high	68 Å²	68	34.4 Å²	34.4	27%	0.267	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	160.9	-172.3	-54.9	-78.4	0	0	0	112.8	Q283 K405 I407 C433 M444 L450 Y454	Q283-Y452 PolarHBondContact NE2-O 3.2Å; K405-Y452 HydrophobicContact CB-CD1 4.17Å; K405-Y452 HydrophobicContact CB-CE1 4.47Å; K405-Y452 CarbonylContact O-C 3.47Å; K405-Y452 WeakPolarHBondContact O-CA 3.44Å; I407-Y452 HydrophobicContact CB-CD1 4.16Å; I407-Y452 HydrophobicContact CB-CG 4.13Å; I407-Y452 HydrophobicContact CG2-CG 4.19Å; C433-Y452 HydrophobicContact CB-CE1 4.4Å; M444-Y452 HydrophobicContact SD-CE2 4.36Å; L450-Y452 VanDerWaalsContact C-N 3.26Å; L450-Y452 PolarHBondContact O-N 3.42Å; Y452-Y454 WeakPolarHBondContact O-CE2 3.24Å
453	N	91.8	Very high	91.7	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	148.2	161.2	-61.1	-63.1	0	0	0	109.2	V282 Q283 H404 K405 T406 I407	V282-N453 WeakPolarHBondContact CA-OD1 3.39Å; Q283-N453 PolarHBondContact N-OD1 3.44Å; Q283-N453 VanDerWaalsContact N-OD1 3.08Å; H404-N453 PolarHBondContact O-ND2 3.46Å; K405-N453 PolarHBondContact O-N 3.34Å; T406-N453 CarbonylContact C-O 3.56Å; T406-N453 WeakPolarHBondContact CA-O 3.42Å; I407-N453 WeakPolarHBondContact CG2-O 3.35Å; I407-N453 PolarHBondContact N-O 2.6Å
454	Y	93.3	Very high	91.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	162	-170.9	-58.5	-89.9	0	0	0	112.1	M281 I407 M444 R445 N449 Y452 F476	M281-Y454 HydrophobicContact CE-CD2 3.52Å; M281-Y454 HydrophobicContact CE-CE2 4.33Å; M281-Y454 HydrophobicContact CE-CG 4Å; M281-Y454 PolarHBondContact N-O 3.21Å; M281-Y454 PolarHBondContact O-N 2.99Å; I407-Y454 HydrophobicContact CG2-CD1 3.34Å; I407-Y454 HydrophobicContact CG2-CE1 3.4Å; I407-Y454 HydrophobicContact CG2-CG 4.19Å; M444-Y454 HydrophobicContact CB-CE1 4.09Å; M444-Y454 PolarHBondContact O-OH 3.41Å; R445-Y454 HydrophobicContact CB-CD1 3.61Å; R445-Y454 HydrophobicContact CB-CE1 3.92Å; R445-Y454 HydrophobicContact CB-CG 4.13Å; R445-Y454 HydrophobicContact CG-CD1 3.84Å; R445-Y454 HydrophobicContact CG-CG 3.85Å; N449-Y454 WeakPolarHBondContact CB-OH 3.19Å; N449-Y454 VanDerWaalsContact O-CE2 3.31Å; N449-Y454 WeakPolarHBondContact O-CE2 3.26Å; N449-Y454 PolarHBondContact O-OH 2.93Å; Y452-Y454 WeakPolarHBondContact O-CE2 3.24Å; Y454-F476 AromaticContact CD2-CE1 3.84Å; Y454-F476 HydrophobicContact CD2-CE1 3.84Å; Y454-F476 HydrophobicContact CD2-CZ 4.15Å; Y454-F476 AromaticContact CE2-CE1 3.95Å; Y454-F476 HydrophobicContact CE2-CE1 3.95Å; Y454-F476 AromaticContact CE2-CZ 3.84Å; Y454-F476 HydrophobicContact CE2-CZ 3.84Å
455	L	91.4	Very high	91.9	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	140.4	168.8	-68.1	161.4	0	0	0	110.4	Y278 L280 I408 W441 F484	Y278-L455 HydrophobicContact CE2-CB 3.97Å; Y278-L455 WeakPolarHBondContact OH-CB 3.35Å; L280-L455 HydrophobicContact CD2-CD2 3.38Å; L280-L455 HydrophobicContact CD2-CG 3.88Å; L280-L455 HydrophobicContact CG-CD2 3.76Å; I408-L455 HydrophobicContact CB-CD1 3.87Å; I408-L455 HydrophobicContact CD1-CD1 3.52Å; I408-L455 HydrophobicContact CG1-CD1 3.61Å; W441-L455 WeakPolarHBondContact CH2-O 3.41Å; L455-F484 HydrophobicContact CD1-CE2 3.8Å; L455-F484 HydrophobicContact CD2-CD2 3.73Å; L455-F484 HydrophobicContact CD2-CE2 3.32Å; L455-F484 HydrophobicContact CD2-CZ 4.41Å; L455-F484 HydrophobicContact CG-CE2 4.19Å
456	V	93.6	Very high	91.9	Very high	1 Å²	1	33 Å²	33	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	146.8	-174.3	19.8	0	0	0	0	109.2	C279 M281 R460 W461 Y464	C279-V456 PolarHBondContact N-O 3.13Å; C279-V456 VanDerWaalsContact N-O 3.12Å; C279-V456 PolarHBondContact O-N 2.67Å; C279-V456 VanDerWaalsContact O-N 3.11Å; C279-V456 VanDerWaalsContact O-O 3.07Å; M281-V456 HydrophobicContact CB-CG1 3.12Å; M281-V456 HydrophobicContact CG-CG1 4.07Å; M281-V456 HydrophobicContact SD-CG1 3.9Å; V456-R460 HydrophobicContact CG2-CB 4.1Å; V456-R460 HydrophobicContact CG2-CG 4.37Å; V456-W461 HydrophobicContact CG2-CB 3.67Å; V456-Y464 HydrophobicContact CG2-CE2 4.44Å
457	T	93	Very high	92	Very high	18 Å²	18	30.8 Å²	30.8	11%	0.11	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	152.3	169.5	54.8	0	0	0	0	110.7	T276 S277 Y278 D459 R460 W461 I488	T276-T457 HydrophobicContact CG2-CG2 4.21Å; S277-T457 CarbonylContact O-C 3.57Å; S277-T457 WeakPolarHBondContact O-CA 3.41Å; Y278-T457 HydrophobicContact CD2-CG2 3.8Å; T457-D459 WeakPolarHBondContact CB-OD1 3.41Å; T457-D459 PolarHBondContact O-N 3.25Å; T457-D459 VanDerWaalsContact O-N 3.14Å; T457-D459 PolarHBondContact OG1-OD1 2.88Å; T457-R460 PolarHBondContact O-N 3.42Å; T457-W461 PolarHBondContact O-N 3.48Å; T457-I488 HydrophobicContact CG2-CD1 4.18Å
458	E	92.6	Very high	92.1	Very high	91 Å²	91	27 Å²	27	43%	0.425	14%	0.143	S	C	.	.	H	α-helix	trans	-56.5	-33	179.1	-165.6	-177.3	171.8	0	0	112.9	T276 S277 R460 W461 S462	T276-E458 WeakPolarHBondContact OG1-CB 3.36Å; T276-E458 PolarHBondContact OG1-N 3.01Å; T276-E458 VanDerWaalsContact OG1-N 3.13Å; S277-E458 PolarHBondContact O-N 3.14Å; S277-E458 PolarHBondContact OG-OE2 2.97Å; S277-E458 VanDerWaalsContact OG-OE2 3.14Å; E458-R460 VanDerWaalsContact C-N 3.35Å; E458-R460 PolarHBondContact O-N 3.47Å; E458-W461 PolarHBondContact O-N 2.93Å; E458-S462 PolarHBondContact O-N 3.5Å; E458-S462 VanDerWaalsContact O-N 3.08Å
459	D	89.9	Confident	92.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-64.3	-36	175.2	67.4	-71.2	0	0	0	113.8	R195 Y212 T276 T457 S462	R195-D459 IonicContact CZ-OD2 3.28Å; R195-D459 IonicContact NE-OD2 3.48Å; R195-D459 PolarHBondContact NE-OD2 2.83Å; R195-D459 IonicContact NH2-OD1 3.95Å; R195-D459 IonicContact NH2-OD2 3.25Å; R195-D459 PolarHBondContact NH2-OD2 3.12Å; Y212-D459 PolarHBondContact OH-OD2 3.09Å; T276-D459 PolarHBondContact OG1-N 3.42Å; T457-D459 WeakPolarHBondContact CB-OD1 3.41Å; T457-D459 PolarHBondContact O-N 3.25Å; T457-D459 VanDerWaalsContact O-N 3.14Å; T457-D459 PolarHBondContact OG1-OD1 2.88Å; D459-S462 PolarHBondContact O-OG 3.2Å; D459-S462 VanDerWaalsContact O-OG 3.05Å
460	R	91.8	Very high	92	Very high	11 Å²	11	35.2 Å²	35.2	4%	0.042	18%	0.179	C	C	.	.	H	α-helix	trans	-80.5	-36.5	174.8	179.3	58.5	177.4	166.1	-4.4	111	P193 D446 V456 T457 E458 S462 S463 Y464 M528	P193-R460 PolarHBondContact O-NH1 3.29Å; D446-R460 IonicContact OD1-CZ 3.3Å; D446-R460 IonicContact OD1-NE 3.19Å; D446-R460 IonicContact OD1-NH2 3.19Å; D446-R460 PolarHBondContact OD1-NH2 2.78Å; D446-R460 IonicContact OD2-NH2 3.29Å; D446-R460 PolarHBondContact OD2-NH2 3.29Å; V456-R460 HydrophobicContact CG2-CB 4.1Å; V456-R460 HydrophobicContact CG2-CG 4.37Å; T457-R460 PolarHBondContact O-N 3.42Å; E458-R460 VanDerWaalsContact C-N 3.35Å; E458-R460 PolarHBondContact O-N 3.47Å; R460-S462 VanDerWaalsContact C-N 3.29Å; R460-S462 PolarHBondContact O-N 3.01Å; R460-S463 PolarHBondContact O-N 3.21Å; R460-Y464 HydrophobicContact CG-CD2 4.44Å; R460-Y464 HydrophobicContact CG-CE2 3.69Å; R460-Y464 PolarHBondContact NE-OH 2.9Å; R460-Y464 PolarHBondContact NH2-OH 2.92Å; R460-M528 VanDerWaalsContact NH1-CE 3.35Å
461	W	94.4	Very high	92	Very high	39 Å²	39	33.5 Å²	33.5	15%	0.148	17%	0.17	C	C	.	.	H	α-helix	trans	-56.9	-41.1	176.7	172.4	-112.7	0	0	0	112.4	M281 V456 T457 E458 S463 Y464 A465 Q468 F476 Y478	M281-W461 HydrophobicContact CB-CZ3 4.47Å; M281-W461 HydrophobicContact CG-CE3 4.14Å; M281-W461 HydrophobicContact CG-CZ3 3.72Å; M281-W461 HydrophobicContact SD-CE3 3.95Å; M281-W461 HydrophobicContact SD-CZ3 3.76Å; V456-W461 HydrophobicContact CG2-CB 3.67Å; T457-W461 PolarHBondContact O-N 3.48Å; E458-W461 PolarHBondContact O-N 2.93Å; W461-S463 PolarHBondContact O-N 3.3Å; W461-S463 VanDerWaalsContact O-N 3.13Å; W461-Y464 HydrophobicContact CE3-CD2 4.27Å; W461-Y464 PolarHBondContact O-N 3Å; W461-A465 HydrophobicContact CZ2-CB 4.23Å; W461-A465 PolarHBondContact O-N 3.18Å; W461-Q468 VanDerWaalsContact CH2-NE2 3.25Å; W461-F476 HydrophobicContact CH2-CB 4.44Å; W461-F476 WeakPolarHBondContact CH2-O 3.28Å; W461-F476 HydrophobicContact CZ3-CB 4.29Å; W461-Y478 HydrophobicContact CB-CD2 3.97Å; W461-Y478 HydrophobicContact CB-CE2 4.26Å; W461-Y478 HydrophobicContact CB-CG 4.47Å; W461-Y478 AromaticContact CD1-CG 3.83Å; W461-Y478 HydrophobicContact CD2-CD2 4.13Å; W461-Y478 HydrophobicContact CD2-CG 4.16Å; W461-Y478 AromaticContact CG-CD2 3.8Å; W461-Y478 HydrophobicContact CG-CD2 3.8Å; W461-Y478 AromaticContact CG-CG 3.89Å; W461-Y478 HydrophobicContact CG-CG 3.89Å
462	S	92.5	Very high	91.9	Very high	38 Å²	38	37.1 Å²	37.1	27%	0.266	18%	0.177	S	C	.	.	H	α-helix	trans	-56.3	-35.5	-178.5	67.7	0	0	0	0	112.4	E458 D459 R460 A465 E466	E458-S462 PolarHBondContact O-N 3.5Å; E458-S462 VanDerWaalsContact O-N 3.08Å; D459-S462 PolarHBondContact O-OG 3.2Å; D459-S462 VanDerWaalsContact O-OG 3.05Å; R460-S462 VanDerWaalsContact C-N 3.29Å; R460-S462 PolarHBondContact O-N 3.01Å; S462-A465 PolarHBondContact O-N 3.09Å; S462-E466 WeakPolarHBondContact O-CG 3.36Å; S462-E466 PolarHBondContact O-N 3.36Å
463	S	92.1	Very high	91.7	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.028	18%	0.182	C	C	.	.	H	α-helix	trans	-69.8	-39.4	176.1	-59.2	0	0	0	0	112.8	P194 R460 W461 E466 Q467	P194-S463 WeakPolarHBondContact CG-OG 3.34Å; R460-S463 PolarHBondContact O-N 3.21Å; W461-S463 PolarHBondContact O-N 3.3Å; W461-S463 VanDerWaalsContact O-N 3.13Å; S463-E466 PolarHBondContact O-N 2.79Å; S463-Q467 PolarHBondContact O-N 3.32Å
464	Y	93.6	Very high	91.6	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-68.2	-38.5	174.7	-61.1	-43.8	0	0	0	111.9	M281 R445 D446 F448 V456 R460 W461 E466 Q467 Q468	M281-Y464 HydrophobicContact SD-CD2 3.81Å; M281-Y464 HydrophobicContact SD-CE2 4.12Å; R445-Y464 HydrophobicContact CG-CE2 4.28Å; R445-Y464 PolarHBondContact NE-OH 3.14Å; D446-Y464 PolarHBondContact OD1-OH 3.45Å; F448-Y464 HydrophobicContact CE1-CD1 4.36Å; F448-Y464 HydrophobicContact CE1-CG 4.37Å; F448-Y464 HydrophobicContact CE2-CD1 4.21Å; F448-Y464 AromaticContact CZ-CD1 3.68Å; F448-Y464 HydrophobicContact CZ-CD1 3.68Å; F448-Y464 HydrophobicContact CZ-CG 4.04Å; V456-Y464 HydrophobicContact CG2-CE2 4.44Å; R460-Y464 HydrophobicContact CG-CD2 4.44Å; R460-Y464 HydrophobicContact CG-CE2 3.69Å; R460-Y464 PolarHBondContact NE-OH 2.9Å; R460-Y464 PolarHBondContact NH2-OH 2.92Å; W461-Y464 HydrophobicContact CE3-CD2 4.27Å; W461-Y464 PolarHBondContact O-N 3Å; Y464-E466 VanDerWaalsContact C-N 3.33Å; Y464-E466 PolarHBondContact O-N 2.97Å; Y464-Q467 PolarHBondContact O-N 3.45Å; Y464-Q468 WeakPolarHBondContact O-CB 3.34Å; Y464-Q468 VanDerWaalsContact O-CG 3.26Å; Y464-Q468 WeakPolarHBondContact O-CG 3.35Å; Y464-Q468 PolarHBondContact O-N 3.33Å
465	A	93.8	Very high	91.6	Very high	28 Å²	28	41.2 Å²	41.2	23%	0.231	21%	0.21	C	C	.	.	H	α-helix	trans	-60.4	-44.2	175.5	0	0	0	0	0	111	W461 S462 Q468 K469	W461-A465 HydrophobicContact CZ2-CB 4.23Å; W461-A465 PolarHBondContact O-N 3.18Å; S462-A465 PolarHBondContact O-N 3.09Å; A465-Q468 PolarHBondContact O-N 3.44Å; A465-K469 PolarHBondContact O-N 3.04Å
466	E	92.3	Very high	91.7	Very high	72 Å²	72	41.2 Å²	41.2	34%	0.336	21%	0.21	S	C	.	.	H	α-helix	trans	-62.1	-43	173.7	-70	-52.9	138.3	0	0	112.3	S462 S463 Y464 Q468 K469 F525	S462-E466 WeakPolarHBondContact O-CG 3.36Å; S462-E466 PolarHBondContact O-N 3.36Å; S463-E466 PolarHBondContact O-N 2.79Å; Y464-E466 VanDerWaalsContact C-N 3.33Å; Y464-E466 PolarHBondContact O-N 2.97Å; E466-Q468 VanDerWaalsContact C-N 3.34Å; E466-Q468 PolarHBondContact O-N 3.31Å; E466-K469 WeakPolarHBondContact O-CB 3.42Å; E466-K469 PolarHBondContact O-N 2.88Å; E466-K469 WeakPolarHBondContact OE1-CE 3.38Å; E466-K469 IonicContact OE1-NZ 3.97Å; E466-K469 PolarHBondContact OE1-NZ 3.3Å; E466-K469 WeakPolarHBondContact OE2-CD 3.36Å; E466-K469 WeakPolarHBondContact OE2-CE 3.42Å; E466-K469 IonicContact OE2-NZ 2.88Å; E466-K469 PolarHBondContact OE2-NZ 3.13Å; E466-F525 HydrophobicContact CB-CD1 3.95Å; E466-F525 HydrophobicContact CB-CD2 4.22Å; E466-F525 HydrophobicContact CB-CE1 4.22Å; E466-F525 HydrophobicContact CB-CE2 4.48Å; E466-F525 HydrophobicContact CB-CG 3.95Å; E466-F525 HydrophobicContact CB-CZ 4.48Å
467	Q	91.8	Very high	91.7	Very high	7 Å²	7	43 Å²	43	3%	0.033	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-42.8	176.3	-166.5	175.4	-6.6	0	0	112.4	S463 Y464 K469 L470 F471 F525 T534	S463-Q467 PolarHBondContact O-N 3.32Å; Y464-Q467 PolarHBondContact O-N 3.45Å; Q467-K469 PolarHBondContact O-N 3.2Å; Q467-L470 WeakPolarHBondContact O-CB 3.48Å; Q467-L470 PolarHBondContact O-N 2.94Å; Q467-F471 HydrophobicContact CG-CE1 4.17Å; Q467-F471 HydrophobicContact CG-CZ 4.12Å; Q467-F525 HydrophobicContact CB-CE2 3.72Å; Q467-F525 HydrophobicContact CB-CZ 4.1Å; Q467-F525 HydrophobicContact CG-CE2 4.25Å; Q467-F525 HydrophobicContact CG-CZ 4.47Å; Q467-T534 HydrophobicContact CG-CG2 4.01Å; Q467-T534 VanDerWaalsContact NE2-CG2 3.3Å
468	Q	92.9	Very high	91.8	Very high	12 Å²	12	43.3 Å²	43.3	6%	0.056	22%	0.216	C	C	.	.	H	α-helix	trans	-68.7	-16.1	-178.5	-72.6	-170.1	100.6	0	0	113.5	F448 W461 Y464 A465 E466 L470 F471 F476	F448-Q468 HydrophobicContact CE1-CG 3.84Å; F448-Q468 HydrophobicContact CZ-CG 4.1Å; W461-Q468 VanDerWaalsContact CH2-NE2 3.25Å; Y464-Q468 WeakPolarHBondContact O-CB 3.34Å; Y464-Q468 VanDerWaalsContact O-CG 3.26Å; Y464-Q468 WeakPolarHBondContact O-CG 3.35Å; Y464-Q468 PolarHBondContact O-N 3.33Å; A465-Q468 PolarHBondContact O-N 3.44Å; E466-Q468 VanDerWaalsContact C-N 3.34Å; E466-Q468 PolarHBondContact O-N 3.31Å; Q468-L470 PolarHBondContact O-N 3.3Å; Q468-F471 HydrophobicContact CB-CD2 4.06Å; Q468-F471 HydrophobicContact CB-CE2 4.3Å; Q468-F471 HydrophobicContact CG-CD2 3.71Å; Q468-F471 HydrophobicContact CG-CE2 3.56Å; Q468-F471 HydrophobicContact CG-CZ 4.31Å; Q468-F471 WeakPolarHBondContact O-CB 3.39Å; Q468-F471 PolarHBondContact O-N 2.82Å; Q468-F476 PolarHBondContact NE2-O 3.48Å; Q468-F476 VanDerWaalsContact NE2-O 3.14Å; Q468-F476 PolarHBondContact OE1-O 3.16Å
469	K	91.4	Very high	91.7	Very high	142 Å²	142	39.2 Å²	39.2	62%	0.617	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.2	172.3	-69.5	179.9	-174	168.6	0	113	A465 E466 Q467 F471	A465-K469 PolarHBondContact O-N 3.04Å; E466-K469 WeakPolarHBondContact O-CB 3.42Å; E466-K469 PolarHBondContact O-N 2.88Å; E466-K469 WeakPolarHBondContact OE1-CE 3.38Å; E466-K469 IonicContact OE1-NZ 3.97Å; E466-K469 PolarHBondContact OE1-NZ 3.3Å; E466-K469 WeakPolarHBondContact OE2-CD 3.36Å; E466-K469 WeakPolarHBondContact OE2-CE 3.42Å; E466-K469 IonicContact OE2-NZ 2.88Å; E466-K469 PolarHBondContact OE2-NZ 3.13Å; Q467-K469 PolarHBondContact O-N 3.2Å; K469-F471 VanDerWaalsContact C-N 3.32Å
470	L	89.5	Confident	91.7	Very high	89 Å²	89	44.4 Å²	44.4	47%	0.466	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-13.7	175.2	-61.1	169.9	0	0	0	112.5	Q467 Q468 L536	Q467-L470 WeakPolarHBondContact O-CB 3.48Å; Q467-L470 PolarHBondContact O-N 2.94Å; Q468-L470 PolarHBondContact O-N 3.3Å; L470-L536 HydrophobicContact CD1-CB 4.35Å; L470-L536 HydrophobicContact CD1-CD2 3.43Å; L470-L536 VanDerWaalsContact CD1-CD2 3.43Å; L470-L536 HydrophobicContact CD1-CG 4.5Å
471	F	90.7	Very high	91.6	Very high	14 Å²	14	47.9 Å²	47.9	6%	0.061	25%	0.245	C	C	.	.	S	Bend	trans	-82	142.3	-175.1	-60.3	-2.9	0	0	0	109.8	F448 Q467 Q468 K469 T473 L475 K537 D538 L539	F448-F471 HydrophobicContact CD2-CZ 4.43Å; F448-F471 HydrophobicContact CE2-CE2 4.5Å; F448-F471 HydrophobicContact CE2-CZ 4.22Å; F448-F471 HydrophobicContact CZ-CE2 4.45Å; F448-F471 HydrophobicContact CZ-CZ 4.47Å; Q467-F471 HydrophobicContact CG-CE1 4.17Å; Q467-F471 HydrophobicContact CG-CZ 4.12Å; Q468-F471 HydrophobicContact CB-CD2 4.06Å; Q468-F471 HydrophobicContact CB-CE2 4.3Å; Q468-F471 HydrophobicContact CG-CD2 3.71Å; Q468-F471 HydrophobicContact CG-CE2 3.56Å; Q468-F471 HydrophobicContact CG-CZ 4.31Å; Q468-F471 WeakPolarHBondContact O-CB 3.39Å; Q468-F471 PolarHBondContact O-N 2.82Å; K469-F471 VanDerWaalsContact C-N 3.32Å; F471-T473 PolarHBondContact O-N 2.88Å; F471-L475 HydrophobicContact CD2-CD1 4.26Å; F471-L475 HydrophobicContact CD2-CG 4.16Å; F471-L475 HydrophobicContact CE2-CD1 4.03Å; F471-L475 HydrophobicContact CE2-CG 4.35Å; F471-K537 WeakPolarHBondContact CE1-O 3.34Å; F471-D538 VanDerWaalsContact CA-OD1 3.3Å; F471-D538 WeakPolarHBondContact CA-OD1 3.37Å; F471-D538 WeakPolarHBondContact CB-OD1 3.3Å; F471-L539 HydrophobicContact CE1-CB 4.08Å; F471-L539 HydrophobicContact CE1-CG 4.17Å; F471-L539 HydrophobicContact CE2-CB 4.11Å; F471-L539 HydrophobicContact CZ-CB 3.7Å; F471-L539 HydrophobicContact CZ-CD1 4Å; F471-L539 HydrophobicContact CZ-CG 3.93Å
472	K	87.1	Confident	91.4	Very high	140 Å²	140	46 Å²	46	61%	0.609	24%	0.238	S	C	*	.	S	Bend	trans	-58.9	-38.7	172.7	-175.2	176.9	178.6	179.6	0	111.7	D538 T543	K472-D538 WeakPolarHBondContact CB-OD2 3.02Å; K472-D538 PolarHBondContact N-OD2 2.81Å; K472-T543 HydrophobicContact CD-CG2 4.22Å; K472-T543 PolarHBondContact NZ-OG1 3.47Å
473	T	85.8	Confident	91.4	Very high	60 Å²	60	44.6 Å²	44.6	37%	0.368	23%	0.228	S	C	.	.	S	Bend	trans	-135	132.1	173.3	53.6	0	0	0	0	110	F471	F471-T473 PolarHBondContact O-N 2.88Å
474	P	91.3	Very high	91.2	Very high	74 Å²	74	45 Å²	45	48%	0.481	23%	0.229	S	C	.	.			trans	-62.4	139.4	174.9	27.1	-33.5	0	0	0	110	V284	V284-P474 HydrophobicContact CG2-CB 4.26Å; V284-P474 HydrophobicContact CG2-CG 4.29Å; V284-P474 WeakPolarHBondContact CG2-O 3.45Å
475	L	92.1	Very high	91	Very high	21 Å²	21	46.2 Å²	46.2	11%	0.11	24%	0.238	C	C	.	.			trans	-91.8	-36.7	-178.4	-68	180	0	0	0	111.7	Q283 V284 F448 L450 F471	Q283-L475 CarbonylContact C-O 3.56Å; Q283-L475 VanDerWaalsContact CA-O 3.32Å; Q283-L475 WeakPolarHBondContact CA-O 3.3Å; V284-L475 PolarHBondContact N-O 3.37Å; F448-L475 HydrophobicContact CB-CD1 4Å; L450-L475 HydrophobicContact CD1-CD2 4.47Å; L450-L475 HydrophobicContact CD2-CB 4.19Å; L450-L475 HydrophobicContact CD2-CD1 4.38Å; L450-L475 HydrophobicContact CD2-CD2 4.19Å; L450-L475 HydrophobicContact CD2-CG 4.5Å; F471-L475 HydrophobicContact CD2-CD1 4.26Å; F471-L475 HydrophobicContact CD2-CG 4.16Å; F471-L475 HydrophobicContact CE2-CD1 4.03Å; F471-L475 HydrophobicContact CE2-CG 4.35Å
476	F	94.1	Very high	90.8	Very high	3 Å²	3	53.9 Å²	53.9	1%	0.013	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157.4	-179.1	-65.8	-100.9	0	0	0	110.9	M281 V282 Q283 F448 L450 Y454 W461 Q468	M281-F476 HydrophobicContact CE-CD1 3.96Å; M281-F476 HydrophobicContact CE-CD2 4.31Å; M281-F476 HydrophobicContact CE-CE1 4.19Å; M281-F476 HydrophobicContact CE-CG 4.02Å; M281-F476 HydrophobicContact CE-CZ 4.47Å; M281-F476 HydrophobicContact CG-CB 3.6Å; M281-F476 HydrophobicContact CG-CD1 3.7Å; M281-F476 HydrophobicContact CG-CG 3.87Å; M281-F476 HydrophobicContact SD-CB 4.3Å; M281-F476 HydrophobicContact SD-CG 4.42Å; V282-F476 CarbonylContact O-C 3.56Å; V282-F476 WeakPolarHBondContact O-CA 3.35Å; V282-F476 WeakPolarHBondContact O-CB 3.45Å; Q283-F476 HydrophobicContact CB-CD1 4.43Å; Q283-F476 HydrophobicContact CB-CE1 4.4Å; Q283-F476 HydrophobicContact CG-CD1 3.77Å; Q283-F476 HydrophobicContact CG-CE1 3.3Å; Q283-F476 HydrophobicContact CG-CE2 4.44Å; Q283-F476 HydrophobicContact CG-CZ 3.69Å; F448-F476 HydrophobicContact CB-CD2 4.49Å; F448-F476 HydrophobicContact CB-CE2 3.99Å; F448-F476 AromaticContact CD1-CD2 3.66Å; F448-F476 HydrophobicContact CD1-CD2 3.66Å; F448-F476 AromaticContact CD1-CE2 3.98Å; F448-F476 HydrophobicContact CD1-CE2 3.98Å; F448-F476 HydrophobicContact CE1-CD2 4.48Å; L450-F476 HydrophobicContact CD2-CE2 3.71Å; L450-F476 HydrophobicContact CD2-CZ 4Å; Y454-F476 AromaticContact CD2-CE1 3.84Å; Y454-F476 HydrophobicContact CD2-CE1 3.84Å; Y454-F476 HydrophobicContact CD2-CZ 4.15Å; Y454-F476 AromaticContact CE2-CE1 3.95Å; Y454-F476 HydrophobicContact CE2-CE1 3.95Å; Y454-F476 AromaticContact CE2-CZ 3.84Å; Y454-F476 HydrophobicContact CE2-CZ 3.84Å; W461-F476 HydrophobicContact CH2-CB 4.44Å; W461-F476 WeakPolarHBondContact CH2-O 3.28Å; W461-F476 HydrophobicContact CZ3-CB 4.29Å; Q468-F476 PolarHBondContact NE2-O 3.48Å; Q468-F476 VanDerWaalsContact NE2-O 3.14Å; Q468-F476 PolarHBondContact OE1-O 3.16Å
477	Y	93.1	Very high	90.7	Very high	37 Å²	37	56.7 Å²	56.7	15%	0.145	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.2	168.4	74.9	-84.7	0	0	0	110.2	M281 V282 Q283 V284 H392	M281-Y477 WeakPolarHBondContact CA-O 3.08Å; V282-Y477 HydrophobicContact CB-CD1 4.31Å; V282-Y477 HydrophobicContact CB-CE1 3.71Å; V282-Y477 HydrophobicContact CG1-CE1 3.89Å; V282-Y477 PolarHBondContact N-O 3.5Å; V282-Y477 VanDerWaalsContact O-CD1 3.31Å; V282-Y477 WeakPolarHBondContact O-CD1 3.32Å; V282-Y477 PolarHBondContact O-N 3.16Å; Q283-Y477 WeakPolarHBondContact O-CE1 3.39Å; V284-Y477 HydrophobicContact CG2-CD1 4.34Å; H392-Y477 AromaticContact CD2-CE1 3.81Å; H392-Y477 AromaticContact CD2-CE2 3.85Å; H392-Y477 AromaticContact CD2-CZ 3.61Å
478	Y	94.5	Very high	90.7	Very high	26 Å²	26	56.5 Å²	56.5	10%	0.102	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	121.3	173.5	-172.8	-107.7	0	0	0	110.3	S277 C279 W461 N480	S277-Y478 WeakPolarHBondContact CB-OH 3.35Å; S277-Y478 PolarHBondContact O-OH 2.86Å; S277-Y478 PolarHBondContact OG-OH 3.05Å; C279-Y478 HydrophobicContact CB-CD2 4.37Å; C279-Y478 HydrophobicContact CB-CE1 4.14Å; C279-Y478 HydrophobicContact CB-CE2 3.63Å; C279-Y478 PolarHBondContact SG-OH 3.34Å; W461-Y478 HydrophobicContact CB-CD2 3.97Å; W461-Y478 HydrophobicContact CB-CE2 4.26Å; W461-Y478 HydrophobicContact CB-CG 4.47Å; W461-Y478 AromaticContact CD1-CG 3.83Å; W461-Y478 HydrophobicContact CD2-CD2 4.13Å; W461-Y478 HydrophobicContact CD2-CG 4.16Å; W461-Y478 AromaticContact CG-CD2 3.8Å; W461-Y478 HydrophobicContact CG-CD2 3.8Å; W461-Y478 AromaticContact CG-CG 3.89Å; W461-Y478 HydrophobicContact CG-CG 3.89Å; Y478-N480 WeakPolarHBondContact CD1-OD1 3.5Å
479	S	92	Very high	90.6	Very high	5 Å²	5	59 Å²	59	4%	0.035	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	104.1	-176.1	-175	0	0	0	0	111.5	L280 D481 L482	L280-S479 PolarHBondContact O-N 3.25Å; S479-D481 PolarHBondContact O-N 2.89Å; S479-L482 PolarHBondContact O-N 2.95Å; S479-L482 VanDerWaalsContact O-N 3.15Å; S479-L482 VanDerWaalsContact OG-CG 3.32Å; S479-L482 WeakPolarHBondContact OG-CG 3.33Å; S479-L482 PolarHBondContact OG-N 3.3Å
480	N	89.1	Confident	90.7	Very high	109 Å²	109	52.4 Å²	52.4	58%	0.583	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	-21.7	175.4	-66.3	-33.6	0	0	0	113.5	Y478 C483	Y478-N480 WeakPolarHBondContact CD1-OD1 3.5Å; N480-C483 PolarHBondContact O-SG 2.93Å
481	D	89.3	Confident	90.9	Very high	84 Å²	84	48.3 Å²	48.3	45%	0.449	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-25.4	176.9	-66.3	-31.2	0	0	0	111.8	S479	S479-D481 PolarHBondContact O-N 2.89Å
482	L	90.3	Very high	91.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	58.3	-174.9	-58.8	175.9	0	0	0	111.5	C279 L280 V282 I393 F396 S479	C279-L482 WeakPolarHBondContact CA-O 3.47Å; C279-L482 WeakPolarHBondContact CB-O 3.34Å; L280-L482 HydrophobicContact CB-CB 4.05Å; L280-L482 HydrophobicContact CB-CD1 4.47Å; L280-L482 HydrophobicContact CD1-CB 4Å; L280-L482 HydrophobicContact CD1-CD1 4.05Å; L280-L482 HydrophobicContact CG-CB 4.39Å; L280-L482 PolarHBondContact N-O 3.29Å; V282-L482 HydrophobicContact CG2-CD1 4.1Å; I393-L482 HydrophobicContact CB-CD1 4.29Å; I393-L482 HydrophobicContact CG2-CD1 3.96Å; I393-L482 HydrophobicContact CG2-CD2 4.38Å; F396-L482 HydrophobicContact CD1-CD2 4.5Å; F396-L482 HydrophobicContact CD2-CD2 4.17Å; F396-L482 HydrophobicContact CE1-CB 4.47Å; F396-L482 HydrophobicContact CE2-CD2 4.38Å; F396-L482 HydrophobicContact CG-CD2 4.24Å; F396-L482 HydrophobicContact CZ-CB 4.23Å; S479-L482 PolarHBondContact O-N 2.95Å; S479-L482 VanDerWaalsContact O-N 3.15Å; S479-L482 VanDerWaalsContact OG-CG 3.32Å; S479-L482 WeakPolarHBondContact OG-CG 3.33Å; S479-L482 PolarHBondContact OG-N 3.3Å
483	C	91.9	Very high	91.4	Very high	9 Å²	9	41 Å²	41	6%	0.061	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.6	179.3	-62.8	0	0	0	0	111.4	Y278 C279 Q423 N480 S485 R486	Y278-C483 WeakPolarHBondContact O-CA 3.26Å; C279-C483 HydrophobicContact CB-CB 3.89Å; C279-C483 WeakPolarHBondContact CB-SG 3.44Å; C279-C483 VanDerWaalsContact SG-CA 3.54Å; C279-C483 WeakPolarHBondContact SG-CB 3.32Å; C279-C483 CovalentContact SG-SG 2.02Å; C279-C483 PolarHBondContact SG-SG 3.24Å; Q423-C483 PolarHBondContact OE1-O 3.22Å; N480-C483 PolarHBondContact O-SG 2.93Å; C483-S485 VanDerWaalsContact C-N 3.3Å; C483-R486 HydrophobicContact CB-CG 4.13Å
484	F	89.6	Confident	91.8	Very high	12 Å²	12	38.1 Å²	38.1	5%	0.053	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-31.4	172.6	-69.2	-55.7	0	0	0	112	Y278 F396 L416 N421 Q423 F424 I427 L455	Y278-F484 HydrophobicContact CD1-CB 4.11Å; Y278-F484 HydrophobicContact CD1-CD2 4.07Å; Y278-F484 AromaticContact CE1-CD2 3.9Å; Y278-F484 HydrophobicContact CE1-CD2 3.9Å; Y278-F484 PolarHBondContact O-N 3.31Å; F396-F484 AromaticContact CD1-CE1 3.91Å; F396-F484 HydrophobicContact CD1-CE1 3.91Å; F396-F484 HydrophobicContact CD1-CZ 4.41Å; F396-F484 AromaticContact CE1-CD1 3.73Å; F396-F484 HydrophobicContact CE1-CD1 3.73Å; F396-F484 AromaticContact CE1-CE1 3.29Å; F396-F484 HydrophobicContact CE1-CE1 3.29Å; F396-F484 HydrophobicContact CE1-CG 4.45Å; F396-F484 AromaticContact CE1-CZ 3.74Å; F396-F484 HydrophobicContact CE1-CZ 3.74Å; F396-F484 AromaticContact CZ-CD1 3.89Å; F396-F484 HydrophobicContact CZ-CD1 3.89Å; F396-F484 AromaticContact CZ-CE1 3.95Å; F396-F484 HydrophobicContact CZ-CE1 3.95Å; F396-F484 HydrophobicContact CZ-CG 4.46Å; L416-F484 HydrophobicContact CD1-CD2 3.81Å; L416-F484 HydrophobicContact CD1-CE2 3.82Å; L416-F484 HydrophobicContact CD1-CG 4.16Å; L416-F484 HydrophobicContact CD1-CZ 4.26Å; L416-F484 HydrophobicContact CD2-CB 4.05Å; L416-F484 HydrophobicContact CD2-CD2 4.48Å; L416-F484 HydrophobicContact CD2-CG 4.2Å; N421-F484 PolarHBondContact ND2-O 3.31Å; N421-F484 VanDerWaalsContact ND2-O 3.17Å; Q423-F484 HydrophobicContact CB-CD1 4.18Å; Q423-F484 HydrophobicContact CB-CE1 4.4Å; F424-F484 HydrophobicContact CB-CD1 4.2Å; F424-F484 HydrophobicContact CB-CE1 3.74Å; F424-F484 HydrophobicContact CB-CZ 4.33Å; F424-F484 HydrophobicContact CD2-CE1 4.05Å; F424-F484 HydrophobicContact CD2-CE2 4.42Å; F424-F484 AromaticContact CD2-CZ 3.76Å; F424-F484 HydrophobicContact CD2-CZ 3.76Å; F424-F484 HydrophobicContact CG-CE1 4.41Å; I427-F484 HydrophobicContact CD1-CE1 4.05Å; I427-F484 HydrophobicContact CD1-CZ 3.81Å; L455-F484 HydrophobicContact CD1-CE2 3.8Å; L455-F484 HydrophobicContact CD2-CD2 3.73Å; L455-F484 HydrophobicContact CD2-CE2 3.32Å; L455-F484 HydrophobicContact CD2-CZ 4.41Å; L455-F484 HydrophobicContact CG-CE2 4.19Å
485	S	89.3	Confident	91.8	Very high	27 Å²	27	35.8 Å²	35.8	19%	0.189	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	133.6	166.6	-178.7	0	0	0	0	109.6	Y278 C483 M487 I488	Y278-S485 PolarHBondContact N-O 2.81Å; Y278-S485 PolarHBondContact O-N 2.97Å; C483-S485 VanDerWaalsContact C-N 3.3Å; S485-M487 VanDerWaalsContact C-N 3.33Å; S485-M487 PolarHBondContact OG-N 3.31Å; S485-M487 PolarHBondContact OG-O 2.95Å; S485-M487 VanDerWaalsContact OG-O 3.05Å; S485-I488 WeakPolarHBondContact OG-CG2 3.41Å
486	R	88.9	Confident	91.5	Very high	188 Å²	188	38.7 Å²	38.7	71%	0.709	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	-15.5	175.7	-66.6	-176.6	174.8	-167	-4.4	112.6	C483	C483-R486 HydrophobicContact CB-CG 4.13Å
487	M	90.2	Very high	91.1	Very high	131 Å²	131	40.2 Å²	40.2	65%	0.645	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-149.1	106	-175.4	-172	175.7	172.6	0	0	109.2	L275 S485	L275-M487 HydrophobicContact CD1-CE 3.54Å; L275-M487 HydrophobicContact CD1-CG 3.54Å; L275-M487 HydrophobicContact CD1-SD 4.34Å; L275-M487 HydrophobicContact CD2-CE 3.7Å; L275-M487 HydrophobicContact CD2-CG 3.96Å; L275-M487 HydrophobicContact CD2-SD 4.22Å; L275-M487 HydrophobicContact CG-CE 4.23Å; L275-M487 HydrophobicContact CG-CG 3.94Å; S485-M487 VanDerWaalsContact C-N 3.33Å; S485-M487 PolarHBondContact OG-N 3.31Å; S485-M487 PolarHBondContact OG-O 2.95Å; S485-M487 VanDerWaalsContact OG-O 3.05Å
488	I	91.8	Very high	91	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.6	167.6	60.5	167.2	0	0	0	108.2	A259 L261 L275 T276 T457 S485 L490	A259-I488 HydrophobicContact CB-CD1 4.2Å; L261-I488 HydrophobicContact CD1-CG2 3.65Å; L261-I488 HydrophobicContact CD2-CG2 4.44Å; L261-I488 HydrophobicContact CG-CG2 3.8Å; L275-I488 WeakPolarHBondContact CA-O 3.18Å; T276-I488 HydrophobicContact CG2-CD1 3.74Å; T276-I488 HydrophobicContact CG2-CG1 3.51Å; T276-I488 PolarHBondContact N-O 2.86Å; T276-I488 VanDerWaalsContact O-CG1 3.24Å; T276-I488 WeakPolarHBondContact O-CG1 3.46Å; T276-I488 PolarHBondContact O-N 3.3Å; T457-I488 HydrophobicContact CG2-CD1 4.18Å; S485-I488 WeakPolarHBondContact OG-CG2 3.41Å; I488-L490 HydrophobicContact CD1-CD2 4.3Å
489	F	91.3	Very high	90.7	Very high	65 Å²	65	38.5 Å²	38.5	29%	0.285	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	144.3	169.1	56.2	-92	0	0	0	110	S260 L266 P272 L274 L275	S260-F489 PolarHBondContact N-O 2.94Å; S260-F489 PolarHBondContact OG-N 3.09Å; L266-F489 HydrophobicContact CD1-CZ 4.38Å; L266-F489 HydrophobicContact CD2-CE2 3.75Å; L266-F489 HydrophobicContact CD2-CZ 4.01Å; P272-F489 HydrophobicContact CB-CB 3.96Å; P272-F489 HydrophobicContact CB-CD2 4.46Å; P272-F489 HydrophobicContact CB-CG 4.45Å; P272-F489 HydrophobicContact CG-CB 4.32Å; P272-F489 HydrophobicContact CG-CD2 4.09Å; P272-F489 HydrophobicContact CG-CG 4.29Å; L274-F489 CarbonylContact O-C 3.53Å; L274-F489 WeakPolarHBondContact O-CA 3.38Å; L275-F489 HydrophobicContact CD1-CB 4.35Å
490	L	92.6	Very high	90.7	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.3	176.5	-64.4	-176.3	0	0	0	108.4	L257 E258 A259 Y273 L274 T276 I488	L257-L490 HydrophobicContact CB-CB 4.06Å; L257-L490 HydrophobicContact CB-CD1 4.16Å; L257-L490 HydrophobicContact CB-CD2 4.46Å; L257-L490 HydrophobicContact CB-CG 4.45Å; L257-L490 HydrophobicContact CD1-CB 4.29Å; L257-L490 HydrophobicContact CD1-CD1 3.76Å; L257-L490 HydrophobicContact CD2-CB 4.35Å; L257-L490 HydrophobicContact CG-CB 4.46Å; E258-L490 WeakPolarHBondContact O-CA 3.5Å; A259-L490 HydrophobicContact CB-CD2 3.86Å; Y273-L490 WeakPolarHBondContact CB-O 3.44Å; Y273-L490 PolarHBondContact N-O 3.32Å; L274-L490 HydrophobicContact CB-CB 4.19Å; L274-L490 HydrophobicContact CB-CD1 4.3Å; L274-L490 HydrophobicContact CD1-CD1 4.4Å; L274-L490 PolarHBondContact N-O 3.36Å; L274-L490 PolarHBondContact O-N 3.35Å; T276-L490 HydrophobicContact CG2-CD1 3.9Å; T276-L490 HydrophobicContact CG2-CG 4.04Å; I488-L490 HydrophobicContact CD1-CD2 4.3Å
491	S	93.9	Very high	90.9	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	157.5	178.4	-71.5	0	0	0	0	111	E258 S270	E258-S491 PolarHBondContact N-O 2.92Å; E258-S491 PolarHBondContact O-N 3.12Å; S270-S491 WeakPolarHBondContact O-CB 3.25Å; S270-S491 PolarHBondContact O-OG 2.93Å
492	I	94.8	Very high	91	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.15	C	C	.	.			trans	-89.7	126.3	176.1	-63.6	173.2	0	0	0	107.6	V213 L216 I217 G254 L257 S270 L494 F504 M508	V213-I492 HydrophobicContact CG1-CD1 4.38Å; L216-I492 HydrophobicContact CD2-CD1 3.47Å; L216-I492 VanDerWaalsContact CD2-CD1 3.47Å; I217-I492 HydrophobicContact CD1-CD1 4.31Å; G254-I492 VanDerWaalsContact O-CG2 3.3Å; G254-I492 WeakPolarHBondContact O-CG2 3.26Å; L257-I492 HydrophobicContact CD2-CG1 4.08Å; S270-I492 WeakPolarHBondContact CB-O 3.34Å; S270-I492 PolarHBondContact N-O 3.04Å; S270-I492 PolarHBondContact OG-N 2.9Å; S270-I492 PolarHBondContact OG-O 2.77Å; I492-L494 HydrophobicContact CG2-CD2 4.12Å; I492-L494 PolarHBondContact O-N 2.95Å; I492-F504 HydrophobicContact CB-CE1 4.48Å; I492-F504 HydrophobicContact CD1-CE1 4.1Å; I492-F504 HydrophobicContact CD1-CZ 3.74Å; I492-F504 HydrophobicContact CG2-CE1 4.46Å; I492-M508 HydrophobicContact CD1-SD 4.36Å
493	P	93.9	Very high	91.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-68.4	127.2	174.8	27.1	-33.4	0	0	0	110.3	A246 G254 T256 T268	A246-P493 HydrophobicContact CB-CB 3.94Å; G254-P493 PolarHBondContact N-O 3.14Å; G254-P493 WeakPolarHBondContact O-CD 3.39Å; T256-P493 HydrophobicContact CG2-CG 3.44Å; T256-P493 VanDerWaalsContact CG2-CG 3.44Å; T268-P493 CarbonylContact O-C 3.3Å; T268-P493 WeakPolarHBondContact O-CA 3.17Å
494	L	93.8	Very high	91.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-115.1	152.8	178.8	-54.1	178.8	0	0	0	109.1	M253 T268 I492 L498 R501 F504	M253-L494 HydrophobicContact CB-CD2 4.27Å; M253-L494 HydrophobicContact CE-CD2 4.38Å; M253-L494 HydrophobicContact CG-CD2 3.78Å; T268-L494 VanDerWaalsContact CB-O 3.32Å; T268-L494 WeakPolarHBondContact CB-O 3.4Å; T268-L494 PolarHBondContact O-N 3.21Å; I492-L494 HydrophobicContact CG2-CD2 4.12Å; I492-L494 PolarHBondContact O-N 2.95Å; L494-L498 HydrophobicContact CB-CD2 4.34Å; L494-L498 HydrophobicContact CD1-CD2 4.04Å; L494-L498 HydrophobicContact CD2-CD2 4.1Å; L494-L498 HydrophobicContact CG-CD2 4.39Å; L494-R501 HydrophobicContact CD1-CG 4.04Å; L494-F504 HydrophobicContact CD1-CD1 4.43Å; L494-F504 HydrophobicContact CD2-CD1 4.12Å; L494-F504 HydrophobicContact CD2-CE1 4Å
495	R	91.4	Very high	91.6	Very high	26 Å²	26	34.9 Å²	34.9	10%	0.098	15%	0.154	C	C	.	.			trans	-56.8	153.7	164.9	58.7	-175.4	-95.1	162.7	4.1	112.4	E133 A246 D249 L251 D252 H497 L498	E133-R495 IonicContact OE1-CZ 2.68Å; E133-R495 IonicContact OE1-NH1 3.66Å; E133-R495 IonicContact OE1-NH2 3.16Å; E133-R495 PolarHBondContact OE1-NH2 3.31Å; E133-R495 IonicContact OE2-CZ 2.89Å; E133-R495 IonicContact OE2-NH2 3.41Å; E133-R495 PolarHBondContact OE2-NH2 2.9Å; A246-R495 VanDerWaalsContact O-CA 3.27Å; A246-R495 WeakPolarHBondContact O-CA 3.35Å; D249-R495 WeakPolarHBondContact OD1-CB 3.44Å; L251-R495 WeakPolarHBondContact O-CB 3.05Å; D252-R495 PolarHBondContact O-N 2.99Å; D252-R495 WeakPolarHBondContact OD1-CD 3.49Å; D252-R495 IonicContact OD1-CZ 3.69Å; D252-R495 IonicContact OD1-NE 3.15Å; D252-R495 IonicContact OD1-NH1 2.88Å; D252-R495 PolarHBondContact OD1-NH1 2.81Å; R495-H497 VanDerWaalsContact C-N 3.25Å; R495-H497 PolarHBondContact NE-O 3.36Å; R495-H497 PolarHBondContact NH2-O 3.44Å; R495-H497 PolarHBondContact O-N 2.94Å; R495-L498 HydrophobicContact CG-CB 3.76Å; R495-L498 HydrophobicContact CG-CD1 3.8Å; R495-L498 HydrophobicContact CG-CG 4.37Å
496	R	86.2	Confident	91.9	Very high	82 Å²	82	37 Å²	37	31%	0.309	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-45.7	-177.5	-62.2	179.8	-165.7	168.1	14.6	110.5	I105 K247 D248 D249 T268	I105-R496 HydrophobicContact CD1-CB 4.22Å; I105-R496 WeakPolarHBondContact CG2-O 3.42Å; K247-R496 PolarHBondContact O-NE 3.47Å; K247-R496 PolarHBondContact O-NH2 2.89Å; D248-R496 IonicContact OD1-NH2 3.33Å; D248-R496 PolarHBondContact OD1-NH2 3.11Å; D249-R496 WeakPolarHBondContact OD1-CB 3.39Å; D249-R496 PolarHBondContact OD1-N 3.3Å; T268-R496 HydrophobicContact CG2-CG 3.75Å
497	H	85.5	Confident	92.3	Very high	34 Å²	34	28.4 Å²	28.4	16%	0.157	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	68.8	-172.4	-65.1	105.5	0	0	0	111	I105 Q108 D249 R495 P499	I105-H497 WeakPolarHBondContact CG1-NE2 3.27Å; Q108-H497 PolarHBondContact OE1-CD2 2.85Å; D249-H497 IonicContact OD2-ND1 3.11Å; R495-H497 VanDerWaalsContact C-N 3.25Å; R495-H497 PolarHBondContact NE-O 3.36Å; R495-H497 PolarHBondContact NH2-O 3.44Å; R495-H497 PolarHBondContact O-N 2.94Å; H497-P499 WeakPolarHBondContact O-CD 3.39Å
498	L	89.9	Confident	92.6	Very high	9 Å²	9	22.3 Å²	22.3	5%	0.047	10%	0.099	C	C	.	.			trans	-92.5	110.9	-179.4	-173.8	71	0	0	0	111.3	D252 M253 L494 R495 Y500 R501	D252-L498 HydrophobicContact CB-CD1 4.21Å; M253-L498 HydrophobicContact CE-CD2 3.64Å; L494-L498 HydrophobicContact CB-CD2 4.34Å; L494-L498 HydrophobicContact CD1-CD2 4.04Å; L494-L498 HydrophobicContact CD2-CD2 4.1Å; L494-L498 HydrophobicContact CG-CD2 4.39Å; R495-L498 HydrophobicContact CG-CB 3.76Å; R495-L498 HydrophobicContact CG-CD1 3.8Å; R495-L498 HydrophobicContact CG-CG 4.37Å; L498-Y500 VanDerWaalsContact C-N 3.27Å; L498-Y500 HydrophobicContact CD1-CD2 4.35Å; L498-Y500 HydrophobicContact CD1-CE1 3.97Å; L498-Y500 HydrophobicContact CD1-CE2 3.79Å; L498-Y500 HydrophobicContact CD2-CD2 4.43Å; L498-Y500 HydrophobicContact CD2-CE2 4.33Å; L498-Y500 HydrophobicContact CG-CD2 4.34Å; L498-Y500 HydrophobicContact CG-CE2 4.23Å; L498-Y500 PolarHBondContact O-N 3.26Å; L498-Y500 VanDerWaalsContact O-N 3.17Å; L498-R501 HydrophobicContact CB-CB 4.15Å; L498-R501 HydrophobicContact CD2-CB 4.07Å; L498-R501 HydrophobicContact CG-CB 4.31Å; L498-R501 WeakPolarHBondContact O-CB 3.38Å; L498-R501 PolarHBondContact O-N 3.37Å
499	P	89.5	Confident	92.7	Very high	19 Å²	19	25.8 Å²	25.8	12%	0.123	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-26.3	-169.4	-25.8	37.5	0	0	0	115.4	Y135 F177 H497	Y135-P499 HydrophobicContact CD2-CB 3.74Å; Y135-P499 HydrophobicContact CD2-CG 4.11Å; Y135-P499 HydrophobicContact CE2-CB 3.52Å; Y135-P499 HydrophobicContact CE2-CG 3.36Å; F177-P499 HydrophobicContact CD2-CB 4.23Å; F177-P499 HydrophobicContact CE1-CB 3.96Å; F177-P499 HydrophobicContact CE2-CB 3.51Å; F177-P499 HydrophobicContact CZ-CB 3.36Å; F177-P499 HydrophobicContact CZ-CG 4.1Å; H497-P499 WeakPolarHBondContact O-CD 3.39Å
500	Y	92.3	Very high	92.9	Very high	8 Å²	8	28.1 Å²	28.1	3%	0.031	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	23.3	-176.1	49.1	-92	0	0	0	112.5	F177 M180 I185 F220 M253 L498 H502 L503 F504	F177-Y500 HydrophobicContact CB-CG 4.45Å; F177-Y500 AromaticContact CD1-CD1 3.5Å; F177-Y500 HydrophobicContact CD1-CD1 3.5Å; F177-Y500 VanDerWaalsContact CD1-CD1 3.5Å; F177-Y500 HydrophobicContact CD1-CE1 4.33Å; F177-Y500 HydrophobicContact CD1-CG 4.22Å; F177-Y500 AromaticContact CE1-CD1 3.86Å; F177-Y500 HydrophobicContact CE1-CD1 3.86Å; F177-Y500 HydrophobicContact CE1-CE1 4.45Å; F177-Y500 HydrophobicContact CG-CD1 4.08Å; F177-Y500 HydrophobicContact CG-CG 4.42Å; M180-Y500 HydrophobicContact CE-CD1 4.15Å; M180-Y500 HydrophobicContact CE-CE1 3.69Å; M180-Y500 HydrophobicContact SD-CD1 4.44Å; M180-Y500 HydrophobicContact SD-CE1 4.39Å; I185-Y500 HydrophobicContact CD1-CE2 4.26Å; F220-Y500 AromaticContact CE1-CD2 3.74Å; F220-Y500 HydrophobicContact CE1-CD2 3.74Å; F220-Y500 AromaticContact CE1-CE2 3.82Å; F220-Y500 HydrophobicContact CE1-CE2 3.82Å; F220-Y500 AromaticContact CZ-CD2 3.75Å; F220-Y500 HydrophobicContact CZ-CD2 3.75Å; F220-Y500 HydrophobicContact CZ-CE2 4.31Å; M253-Y500 HydrophobicContact CE-CD2 4.11Å; M253-Y500 HydrophobicContact CE-CE2 3.52Å; L498-Y500 VanDerWaalsContact C-N 3.27Å; L498-Y500 HydrophobicContact CD1-CD2 4.35Å; L498-Y500 HydrophobicContact CD1-CE1 3.97Å; L498-Y500 HydrophobicContact CD1-CE2 3.79Å; L498-Y500 HydrophobicContact CD2-CD2 4.43Å; L498-Y500 HydrophobicContact CD2-CE2 4.33Å; L498-Y500 HydrophobicContact CG-CD2 4.34Å; L498-Y500 HydrophobicContact CG-CE2 4.23Å; L498-Y500 PolarHBondContact O-N 3.26Å; L498-Y500 VanDerWaalsContact O-N 3.17Å; Y500-H502 VanDerWaalsContact C-N 3.29Å; Y500-H502 PolarHBondContact O-N 3.48Å; Y500-L503 WeakPolarHBondContact O-CB 3.45Å; Y500-L503 PolarHBondContact O-N 2.91Å; Y500-L503 VanDerWaalsContact O-N 3.12Å; Y500-F504 PolarHBondContact O-N 3.47Å; Y500-F504 VanDerWaalsContact O-N 3.16Å
501	R	91.9	Very high	93	Very high	65 Å²	65	29.1 Å²	29.1	25%	0.245	13%	0.128	C	C	.	.	H	α-helix	trans	-52.2	-44.9	-179.6	178	172.9	175.8	140.6	-8	113.2	E267 S269 L494 L498 L503 F504 D505	E267-R501 PolarHBondContact O-NH1 3.44Å; S269-R501 PolarHBondContact O-NH2 2.87Å; L494-R501 HydrophobicContact CD1-CG 4.04Å; L498-R501 HydrophobicContact CB-CB 4.15Å; L498-R501 HydrophobicContact CD2-CB 4.07Å; L498-R501 HydrophobicContact CG-CB 4.31Å; L498-R501 WeakPolarHBondContact O-CB 3.38Å; L498-R501 PolarHBondContact O-N 3.37Å; R501-L503 VanDerWaalsContact C-N 3.33Å; R501-L503 PolarHBondContact O-N 2.89Å; R501-F504 WeakPolarHBondContact O-CB 3.33Å; R501-F504 PolarHBondContact O-N 3.46Å; R501-F504 VanDerWaalsContact O-N 3.13Å; R501-D505 WeakPolarHBondContact CG-OD2 3.42Å; R501-D505 IonicContact NE-OD2 3.99Å; R501-D505 PolarHBondContact O-N 3.36Å
502	H	91.1	Very high	93	Very high	31 Å²	31	33 Å²	33	14%	0.144	15%	0.146	C	C	.	.	H	α-helix	trans	-65.3	-35.5	-179.1	63.4	-71.2	0	0	0	112.7	R109 E175 Y500 F504 E506	R109-H502 PolarHBondContact NE-CE1 3.04Å; R109-H502 VanDerWaalsContact NE-CE1 3.35Å; R109-H502 PolarHBondContact NE-ND1 2.99Å; R109-H502 PolarHBondContact NE-NE2 2.91Å; R109-H502 VanDerWaalsContact NH1-CB 3.31Å; R109-H502 PolarHBondContact NH2-CD2 3.36Å; R109-H502 PolarHBondContact NH2-NE2 3.45Å; E175-H502 VanDerWaalsContact CD-NE2 3.29Å; E175-H502 IonicContact OE1-CE1 3.95Å; E175-H502 IonicContact OE1-NE2 3.9Å; E175-H502 IonicContact OE2-CD2 2.71Å; E175-H502 IonicContact OE2-CE1 2.63Å; E175-H502 PolarHBondContact OE2-CE1 3.33Å; E175-H502 IonicContact OE2-NE2 2.93Å; E175-H502 PolarHBondContact OE2-NE2 3Å; Y500-H502 VanDerWaalsContact C-N 3.29Å; Y500-H502 PolarHBondContact O-N 3.48Å; H502-F504 VanDerWaalsContact C-N 3.26Å; H502-F504 PolarHBondContact O-N 2.93Å; H502-E506 WeakPolarHBondContact O-CB 3.31Å; H502-E506 PolarHBondContact O-N 2.91Å
503	L	95	Very high	92.9	Very high	11 Å²	11	40 Å²	40	6%	0.058	18%	0.178	C	C	.	.	H	α-helix	trans	-65.9	-35.5	175.1	-61.7	-179.7	0	0	0	110.9	E175 F177 F220 Y500 R501 H507	E175-L503 HydrophobicContact CG-CD1 4.1Å; E175-L503 HydrophobicContact CG-CD2 4.05Å; F177-L503 HydrophobicContact CB-CD1 3.76Å; F220-L503 HydrophobicContact CE2-CB 4.07Å; F220-L503 HydrophobicContact CZ-CB 4.27Å; Y500-L503 WeakPolarHBondContact O-CB 3.45Å; Y500-L503 PolarHBondContact O-N 2.91Å; Y500-L503 VanDerWaalsContact O-N 3.12Å; R501-L503 VanDerWaalsContact C-N 3.33Å; R501-L503 PolarHBondContact O-N 2.89Å; L503-H507 WeakPolarHBondContact O-CB 3.28Å; L503-H507 PolarHBondContact O-N 3.33Å
504	F	96.1	Very high	93	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-71.4	-48.9	176.7	-175.4	-114.6	0	0	0	111.9	L216 I217 F220 M253 I492 L494 Y500 R501 H502 E506 H507 M508	L216-F504 HydrophobicContact CD2-CZ 4.19Å; L216-F504 HydrophobicContact CG-CE2 4.47Å; I217-F504 HydrophobicContact CD1-CE2 3.66Å; I217-F504 HydrophobicContact CD1-CZ 3.53Å; F220-F504 HydrophobicContact CB-CD2 4.2Å; F220-F504 HydrophobicContact CB-CE2 4.31Å; F220-F504 AromaticContact CD1-CD2 3.72Å; F220-F504 HydrophobicContact CD1-CD2 3.72Å; F220-F504 HydrophobicContact CD1-CE2 4.34Å; F220-F504 AromaticContact CD2-CD2 3.88Å; F220-F504 HydrophobicContact CD2-CD2 3.88Å; F220-F504 HydrophobicContact CE1-CB 4.3Å; F220-F504 HydrophobicContact CE1-CD2 4.04Å; F220-F504 HydrophobicContact CE2-CB 4.03Å; F220-F504 HydrophobicContact CE2-CD2 4.19Å; F220-F504 AromaticContact CG-CD2 3.64Å; F220-F504 HydrophobicContact CG-CD2 3.64Å; F220-F504 HydrophobicContact CG-CE2 4.21Å; F220-F504 HydrophobicContact CZ-CB 3.9Å; F220-F504 HydrophobicContact CZ-CD2 4.26Å; M253-F504 HydrophobicContact CE-CB 3.92Å; M253-F504 HydrophobicContact CE-CD1 3.88Å; M253-F504 HydrophobicContact CE-CD2 3.74Å; M253-F504 HydrophobicContact CE-CE1 4.33Å; M253-F504 HydrophobicContact CE-CE2 4.23Å; M253-F504 HydrophobicContact CE-CG 3.55Å; M253-F504 HydrophobicContact CE-CZ 4.49Å; M253-F504 HydrophobicContact SD-CD2 4.19Å; M253-F504 HydrophobicContact SD-CE1 4.42Å; M253-F504 HydrophobicContact SD-CE2 4.09Å; M253-F504 HydrophobicContact SD-CG 4.42Å; M253-F504 HydrophobicContact SD-CZ 4.2Å; I492-F504 HydrophobicContact CB-CE1 4.48Å; I492-F504 HydrophobicContact CD1-CE1 4.1Å; I492-F504 HydrophobicContact CD1-CZ 3.74Å; I492-F504 HydrophobicContact CG2-CE1 4.46Å; L494-F504 HydrophobicContact CD1-CD1 4.43Å; L494-F504 HydrophobicContact CD2-CD1 4.12Å; L494-F504 HydrophobicContact CD2-CE1 4Å; Y500-F504 PolarHBondContact O-N 3.47Å; Y500-F504 VanDerWaalsContact O-N 3.16Å; R501-F504 WeakPolarHBondContact O-CB 3.33Å; R501-F504 PolarHBondContact O-N 3.46Å; R501-F504 VanDerWaalsContact O-N 3.13Å; H502-F504 VanDerWaalsContact C-N 3.26Å; H502-F504 PolarHBondContact O-N 2.93Å; F504-E506 PolarHBondContact O-N 3.48Å; F504-H507 WeakPolarHBondContact O-CB 3.33Å; F504-H507 PolarHBondContact O-N 3.48Å; F504-H507 VanDerWaalsContact O-N 3.16Å; F504-M508 HydrophobicContact CD1-SD 3.8Å; F504-M508 HydrophobicContact CE1-CG 4.26Å; F504-M508 HydrophobicContact CE1-SD 3.33Å; F504-M508 WeakPolarHBondContact CE1-SD 3.31Å; F504-M508 HydrophobicContact CE2-CG 4.43Å; F504-M508 HydrophobicContact CE2-SD 4.48Å; F504-M508 HydrophobicContact CZ-CG 4.17Å; F504-M508 HydrophobicContact CZ-SD 3.73Å; F504-M508 WeakPolarHBondContact O-CG 3.42Å; F504-M508 PolarHBondContact O-N 3.1Å
505	D	94.8	Very high	93	Very high	28 Å²	28	48.9 Å²	48.9	15%	0.15	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-44.2	177	-71.5	-27.6	0	0	0	111	Y271 R501 H507 M508 M509	Y271-D505 WeakPolarHBondContact CB-OD1 3.47Å; Y271-D505 PolarHBondContact N-OD1 3.39Å; R501-D505 WeakPolarHBondContact CG-OD2 3.42Å; R501-D505 IonicContact NE-OD2 3.99Å; R501-D505 PolarHBondContact O-N 3.36Å; D505-H507 PolarHBondContact O-N 3.46Å; D505-M508 WeakPolarHBondContact O-CB 3.25Å; D505-M508 PolarHBondContact O-N 3.34Å; D505-M509 WeakPolarHBondContact O-CG 3.37Å; D505-M509 PolarHBondContact O-N 3.4Å
506	E	95.4	Very high	93.2	Very high	72 Å²	72	50.4 Å²	50.4	34%	0.336	24%	0.235	S	C	.	.	H	α-helix	trans	-62.7	-41.5	174.3	-175.5	-169.5	-174.2	0	0	111.8	H502 F504 M508 M509 R510	H502-E506 WeakPolarHBondContact O-CB 3.31Å; H502-E506 PolarHBondContact O-N 2.91Å; F504-E506 PolarHBondContact O-N 3.48Å; E506-M508 VanDerWaalsContact C-N 3.34Å; E506-M508 PolarHBondContact O-N 3.38Å; E506-M509 PolarHBondContact O-N 3.22Å; E506-R510 WeakPolarHBondContact O-CG 3.41Å; E506-R510 PolarHBondContact O-N 3.24Å; E506-R510 IonicContact OE1-CZ 2.7Å; E506-R510 IonicContact OE1-NE 2.65Å; E506-R510 PolarHBondContact OE1-NE 2.88Å; E506-R510 VanDerWaalsContact OE1-NE 3.11Å; E506-R510 IonicContact OE1-NH2 3.26Å; E506-R510 PolarHBondContact OE1-NH2 3.43Å
507	H	96.4	Very high	93.5	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-47	174.5	174.4	80.4	0	0	0	110.8	L216 F220 L503 F504 D505 M509 R510 Q511	L216-H507 PolarHBondContact O-NE2 3.46Å; L216-H507 VanDerWaalsContact O-NE2 3.08Å; F220-H507 HydrophobicContact CD2-CB 3.82Å; F220-H507 AromaticContact CD2-CD2 3.93Å; F220-H507 AromaticContact CD2-CG 3.84Å; F220-H507 HydrophobicContact CE2-CB 4.36Å; F220-H507 PolarHBondContact N-NE2 3.23Å; L503-H507 WeakPolarHBondContact O-CB 3.28Å; L503-H507 PolarHBondContact O-N 3.33Å; F504-H507 WeakPolarHBondContact O-CB 3.33Å; F504-H507 PolarHBondContact O-N 3.48Å; F504-H507 VanDerWaalsContact O-N 3.16Å; D505-H507 PolarHBondContact O-N 3.46Å; H507-M509 PolarHBondContact O-N 3.32Å; H507-R510 PolarHBondContact O-N 2.87Å; H507-Q511 PolarHBondContact CE1-NE2 3.4Å; H507-Q511 WeakPolarHBondContact O-CB 3.2Å; H507-Q511 WeakPolarHBondContact O-CG 3.4Å; H507-Q511 PolarHBondContact O-N 3.42Å
508	M	96	Very high	93.9	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-57.6	-47.7	176.3	-70.9	173.7	56.5	0	0	112.4	L216 Y271 Y273 I492 F504 D505 E506 R510 Q511 Q512	L216-M508 HydrophobicContact CD1-CB 4.48Å; L216-M508 HydrophobicContact CD1-CG 3.78Å; L216-M508 HydrophobicContact CD2-CG 3.89Å; L216-M508 HydrophobicContact CD2-SD 4.39Å; L216-M508 HydrophobicContact CG-CG 4.34Å; Y271-M508 WeakPolarHBondContact O-CE 3.46Å; Y273-M508 VanDerWaalsContact CB-CE 3.46Å; Y273-M508 HydrophobicContact CD2-CE 3.81Å; Y273-M508 HydrophobicContact CG-CE 3.98Å; I492-M508 HydrophobicContact CD1-SD 4.36Å; F504-M508 HydrophobicContact CD1-SD 3.8Å; F504-M508 HydrophobicContact CE1-CG 4.26Å; F504-M508 HydrophobicContact CE1-SD 3.33Å; F504-M508 WeakPolarHBondContact CE1-SD 3.31Å; F504-M508 HydrophobicContact CE2-CG 4.43Å; F504-M508 HydrophobicContact CE2-SD 4.48Å; F504-M508 HydrophobicContact CZ-CG 4.17Å; F504-M508 HydrophobicContact CZ-SD 3.73Å; F504-M508 WeakPolarHBondContact O-CG 3.42Å; F504-M508 PolarHBondContact O-N 3.1Å; D505-M508 WeakPolarHBondContact O-CB 3.25Å; D505-M508 PolarHBondContact O-N 3.34Å; E506-M508 VanDerWaalsContact C-N 3.34Å; E506-M508 PolarHBondContact O-N 3.38Å; M508-R510 PolarHBondContact O-N 2.91Å; M508-Q511 PolarHBondContact O-N 3.2Å; M508-Q512 PolarHBondContact O-N 2.92Å
509	M	95.3	Very high	94.1	Very high	78 Å²	78	55.1 Å²	55.1	38%	0.384	26%	0.259	S	S	.	.	H	α-helix	trans	-58.4	-49	177.8	-70.8	176	63.7	0	0	111.4	Y271 D505 E506 H507 Q511 Q512 E513	Y271-M509 HydrophobicContact CD1-CG 3.96Å; Y271-M509 HydrophobicContact CE1-CG 3.9Å; Y271-M509 HydrophobicContact CE2-SD 4.44Å; Y271-M509 HydrophobicContact CG-CG 4.41Å; D505-M509 WeakPolarHBondContact O-CG 3.37Å; D505-M509 PolarHBondContact O-N 3.4Å; E506-M509 PolarHBondContact O-N 3.22Å; H507-M509 PolarHBondContact O-N 3.32Å; M509-Q511 PolarHBondContact O-N 3.02Å; M509-Q512 WeakPolarHBondContact O-CB 3.27Å; M509-Q512 PolarHBondContact O-N 2.81Å; M509-Q512 VanDerWaalsContact O-N 3.16Å; M509-E513 WeakPolarHBondContact O-CG 3.35Å; M509-E513 PolarHBondContact O-N 2.92Å
510	R	95.6	Very high	94.3	Very high	114 Å²	114	55.4 Å²	55.4	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-60.7	-43.6	177.7	-70.5	-178.4	-176	-156.6	1.1	111.8	E506 H507 M508 Q512 E513 F514	E506-R510 WeakPolarHBondContact O-CG 3.41Å; E506-R510 PolarHBondContact O-N 3.24Å; E506-R510 IonicContact OE1-CZ 2.7Å; E506-R510 IonicContact OE1-NE 2.65Å; E506-R510 PolarHBondContact OE1-NE 2.88Å; E506-R510 VanDerWaalsContact OE1-NE 3.11Å; E506-R510 IonicContact OE1-NH2 3.26Å; E506-R510 PolarHBondContact OE1-NH2 3.43Å; H507-R510 PolarHBondContact O-N 2.87Å; M508-R510 PolarHBondContact O-N 2.91Å; R510-Q512 PolarHBondContact O-N 3.49Å; R510-E513 PolarHBondContact O-N 2.9Å; R510-E513 VanDerWaalsContact O-N 3.17Å; R510-F514 HydrophobicContact CB-CD2 4.44Å; R510-F514 HydrophobicContact CB-CE2 4.43Å; R510-F514 WeakPolarHBondContact O-CD2 3.46Å; R510-F514 PolarHBondContact O-N 3.1Å
511	Q	94.5	Very high	94.3	Very high	23 Å²	23	57.1 Å²	57.1	11%	0.107	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-35.8	178.1	-66.9	-69.4	-33.1	0	0	112	L216 H507 M508 M509 G515 L516 V517	L216-Q511 HydrophobicContact CD1-CB 4.43Å; L216-Q511 HydrophobicContact CD1-CG 4.11Å; H507-Q511 PolarHBondContact CE1-NE2 3.4Å; H507-Q511 WeakPolarHBondContact O-CB 3.2Å; H507-Q511 WeakPolarHBondContact O-CG 3.4Å; H507-Q511 PolarHBondContact O-N 3.42Å; M508-Q511 PolarHBondContact O-N 3.2Å; M509-Q511 PolarHBondContact O-N 3.02Å; Q511-G515 PolarHBondContact O-N 2.84Å; Q511-L516 PolarHBondContact O-N 3.5Å; Q511-V517 HydrophobicContact CB-CG2 4.27Å
512	Q	92.8	Very high	94.2	Very high	84 Å²	84	57.4 Å²	57.4	39%	0.393	28%	0.277	S	S	.	.	H	α-helix	trans	-69.4	-45.8	173.8	-169	70.1	5.2	0	0	111.7	M508 M509 R510 F514 G515	M508-Q512 PolarHBondContact O-N 2.92Å; M509-Q512 WeakPolarHBondContact O-CB 3.27Å; M509-Q512 PolarHBondContact O-N 2.81Å; M509-Q512 VanDerWaalsContact O-N 3.16Å; R510-Q512 PolarHBondContact O-N 3.49Å; Q512-F514 VanDerWaalsContact C-N 3.33Å; Q512-F514 PolarHBondContact O-N 2.95Å; Q512-G515 PolarHBondContact O-N 3.18Å
513	E	94.3	Very high	94.2	Very high	147 Å²	147	59.4 Å²	59.4	69%	0.687	29%	0.286	S	S	*	.	H	α-helix	trans	-59.3	-40.4	178	-72.5	172.1	174.8	0	0	112.5	M509 R510 G515	M509-E513 WeakPolarHBondContact O-CG 3.35Å; M509-E513 PolarHBondContact O-N 2.92Å; R510-E513 PolarHBondContact O-N 2.9Å; R510-E513 VanDerWaalsContact O-N 3.17Å; E513-G515 PolarHBondContact O-N 2.71Å
514	F	95	Very high	94.1	Very high	158 Å²	158	58.9 Å²	58.9	69%	0.693	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-7.3	175.4	-75.4	-69.9	0	0	0	113.7	R510 Q512 L516	R510-F514 HydrophobicContact CB-CD2 4.44Å; R510-F514 HydrophobicContact CB-CE2 4.43Å; R510-F514 WeakPolarHBondContact O-CD2 3.46Å; R510-F514 PolarHBondContact O-N 3.1Å; Q512-F514 VanDerWaalsContact C-N 3.33Å; Q512-F514 PolarHBondContact O-N 2.95Å; F514-L516 VanDerWaalsContact C-N 3.27Å; F514-L516 HydrophobicContact CB-CD1 4.19Å; F514-L516 HydrophobicContact CB-CG 4.15Å; F514-L516 PolarHBondContact O-N 2.95Å
515	G	94.7	Very high	94	Very high	28 Å²	28	59.3 Å²	59.3	29%	0.289	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	11.7	-178.7	0	0	0	0	0	114.9	Q511 Q512 E513 V517 N518 Y519	Q511-G515 PolarHBondContact O-N 2.84Å; Q512-G515 PolarHBondContact O-N 3.18Å; E513-G515 PolarHBondContact O-N 2.71Å; G515-V517 VanDerWaalsContact C-N 3.28Å; G515-V517 PolarHBondContact O-N 2.62Å; G515-N518 PolarHBondContact O-N 3.45Å; G515-Y519 PolarHBondContact O-N 3.33Å; G515-Y519 VanDerWaalsContact O-N 3.14Å
516	L	94.8	Very high	93.9	Very high	58 Å²	58	63.8 Å²	63.8	30%	0.304	30%	0.304	S	S	.	.	H	α-helix	trans	-65	-33.6	-178.1	-71.6	170.6	0	0	0	112.1	Q511 F514 Y519 W520	Q511-L516 PolarHBondContact O-N 3.5Å; F514-L516 VanDerWaalsContact C-N 3.27Å; F514-L516 HydrophobicContact CB-CD1 4.19Å; F514-L516 HydrophobicContact CB-CG 4.15Å; F514-L516 PolarHBondContact O-N 2.95Å; L516-Y519 PolarHBondContact O-N 3.22Å; L516-W520 HydrophobicContact CB-CH2 4.14Å; L516-W520 HydrophobicContact CB-CZ2 4.06Å; L516-W520 HydrophobicContact CB-CZ3 4.45Å; L516-W520 PolarHBondContact O-N 3.27Å
517	V	92.8	Very high	93.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.6	-45.7	176.4	-179.1	0	0	0	0	111.5	Y273 L274 Q511 G515 W520 K521	Y273-V517 HydrophobicContact CE1-CG1 4.39Å; Y273-V517 HydrophobicContact CE2-CB 4.45Å; Y273-V517 HydrophobicContact CE2-CG1 4.03Å; Y273-V517 HydrophobicContact CE2-CG2 3.54Å; L274-V517 HydrophobicContact CD2-CG1 3.55Å; Q511-V517 HydrophobicContact CB-CG2 4.27Å; G515-V517 VanDerWaalsContact C-N 3.28Å; G515-V517 PolarHBondContact O-N 2.62Å; V517-W520 PolarHBondContact O-N 2.94Å; V517-K521 VanDerWaalsContact O-CB 3.28Å; V517-K521 WeakPolarHBondContact O-CB 3.3Å; V517-K521 PolarHBondContact O-N 3.36Å
518	N	92.8	Very high	93.7	Very high	100 Å²	100	61.6 Å²	61.6	54%	0.535	29%	0.294	S	S	.	.	H	α-helix	trans	-65.4	-40.6	176.9	-73.1	-24	0	0	0	111.5	G515 K521 S522	G515-N518 PolarHBondContact O-N 3.45Å; N518-K521 PolarHBondContact O-N 2.67Å; N518-S522 PolarHBondContact O-N 3.29Å; N518-S522 PolarHBondContact O-OG 2.84Å
519	Y	94.3	Very high	93.6	Very high	124 Å²	124	62.9 Å²	62.9	49%	0.486	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-49.8	175.9	172.6	-96.7	0	0	0	112	G515 L516 K521 S522 H523	G515-Y519 PolarHBondContact O-N 3.33Å; G515-Y519 VanDerWaalsContact O-N 3.14Å; L516-Y519 PolarHBondContact O-N 3.22Å; Y519-K521 PolarHBondContact O-N 3.06Å; Y519-S522 PolarHBondContact O-N 3.03Å; Y519-S522 PolarHBondContact O-OG 3.32Å; Y519-H523 AromaticContact CD2-CE1 3.54Å; Y519-H523 AromaticContact CD2-ND1 3.69Å; Y519-H523 AromaticContact CE2-CE1 3.1Å; Y519-H523 WeakPolarHBondContact CE2-CE1 3.11Å; Y519-H523 AromaticContact CE2-ND1 3.52Å; Y519-H523 AromaticContact CE2-NE2 3.6Å; Y519-H523 AromaticContact CZ-CE1 3.7Å; Y519-H523 AromaticContact CZ-ND1 3.85Å; Y519-H523 AromaticContact CZ-NE2 3.86Å; Y519-H523 PolarHBondContact O-N 3.48Å; Y519-H523 VanDerWaalsContact O-N 3.11Å; Y519-H523 PolarHBondContact O-ND1 2.89Å
520	W	94.4	Very high	93.5	Very high	25 Å²	25	68 Å²	68	10%	0.095	32%	0.317	C	S	.	.	H	α-helix	trans	-66	-39.7	178.2	-63	-33	0	0	0	112	N215 L216 N219 L516 V517 S522 H523 S524	N215-W520 HydrophobicContact CB-CD2 3.59Å; N215-W520 HydrophobicContact CB-CE3 3.66Å; N215-W520 HydrophobicContact CB-CG 4.15Å; N215-W520 HydrophobicContact CB-CH2 4.11Å; N215-W520 HydrophobicContact CB-CZ2 4.05Å; N215-W520 HydrophobicContact CB-CZ3 3.92Å; N215-W520 VanDerWaalsContact ND2-CD1 3.35Å; L216-W520 HydrophobicContact CB-CZ3 4.31Å; N219-W520 WeakPolarHBondContact ND2-CH2 3.43Å; N219-W520 WeakPolarHBondContact ND2-CZ2 3.45Å; L516-W520 HydrophobicContact CB-CH2 4.14Å; L516-W520 HydrophobicContact CB-CZ2 4.06Å; L516-W520 HydrophobicContact CB-CZ3 4.45Å; L516-W520 PolarHBondContact O-N 3.27Å; V517-W520 PolarHBondContact O-N 2.94Å; W520-S522 PolarHBondContact O-N 3.43Å; W520-H523 PolarHBondContact O-N 3.31Å; W520-S524 WeakPolarHBondContact O-CB 3.27Å; W520-S524 PolarHBondContact O-N 3.42Å; W520-S524 PolarHBondContact O-OG 3.5Å
521	K	92.3	Very high	93.4	Very high	45 Å²	45	64.9 Å²	64.9	20%	0.196	31%	0.309	C	S	.	.	H	α-helix	trans	-60.4	-43.5	177.8	-176.2	-179.9	171.6	-174.9	0	111.8	V517 N518 Y519 H523	V517-K521 VanDerWaalsContact O-CB 3.28Å; V517-K521 WeakPolarHBondContact O-CB 3.3Å; V517-K521 PolarHBondContact O-N 3.36Å; N518-K521 PolarHBondContact O-N 2.67Å; Y519-K521 PolarHBondContact O-N 3.06Å; K521-H523 VanDerWaalsContact C-N 3.34Å
522	S	90.3	Very high	93.2	Very high	70 Å²	70	74.8 Å²	74.8	49%	0.49	35%	0.346	S	S	.	.	H	α-helix	trans	-69	-31.7	177.7	66.2	0	0	0	0	112.9	N518 Y519 W520	N518-S522 PolarHBondContact O-N 3.29Å; N518-S522 PolarHBondContact O-OG 2.84Å; Y519-S522 PolarHBondContact O-N 3.03Å; Y519-S522 PolarHBondContact O-OG 3.32Å; W520-S522 PolarHBondContact O-N 3.43Å
523	H	91.8	Very high	93.1	Very high	73 Å²	73	75.3 Å²	75.3	34%	0.338	35%	0.35	S	S	.	.	H	α-helix	trans	-82.3	-24.5	178.6	-75.5	70.4	0	0	0	113.9	Y519 W520 K521 F525 F526 D527	Y519-H523 AromaticContact CD2-CE1 3.54Å; Y519-H523 AromaticContact CD2-ND1 3.69Å; Y519-H523 AromaticContact CE2-CE1 3.1Å; Y519-H523 WeakPolarHBondContact CE2-CE1 3.11Å; Y519-H523 AromaticContact CE2-ND1 3.52Å; Y519-H523 AromaticContact CE2-NE2 3.6Å; Y519-H523 AromaticContact CZ-CE1 3.7Å; Y519-H523 AromaticContact CZ-ND1 3.85Å; Y519-H523 AromaticContact CZ-NE2 3.86Å; Y519-H523 PolarHBondContact O-N 3.48Å; Y519-H523 VanDerWaalsContact O-N 3.11Å; Y519-H523 PolarHBondContact O-ND1 2.89Å; W520-H523 PolarHBondContact O-N 3.31Å; K521-H523 VanDerWaalsContact C-N 3.34Å; H523-F525 PolarHBondContact O-N 3.33Å; H523-F525 VanDerWaalsContact O-N 3.08Å; H523-F526 WeakPolarHBondContact O-CB 3.44Å; H523-F526 PolarHBondContact O-N 3.29Å; H523-D527 PolarHBondContact O-N 3.24Å
524	S	92.8	Very high	92.8	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-23.3	-172.8	-60.4	0	0	0	0	113.2	Y212 W520 D527 M528	Y212-S524 PolarHBondContact N-OG 2.86Å; W520-S524 WeakPolarHBondContact O-CB 3.27Å; W520-S524 PolarHBondContact O-N 3.42Å; W520-S524 PolarHBondContact O-OG 3.5Å; S524-D527 PolarHBondContact O-N 2.97Å; S524-M528 WeakPolarHBondContact O-CG 3.45Å; S524-M528 PolarHBondContact O-N 3.3Å
525	F	92.2	Very high	92.4	Very high	10 Å²	10	64.2 Å²	64.2	4%	0.044	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-42.3	170.4	172.6	-103.7	0	0	0	111.9	E466 Q467 H523 D527 M528 V529 T534	E466-F525 HydrophobicContact CB-CD1 3.95Å; E466-F525 HydrophobicContact CB-CD2 4.22Å; E466-F525 HydrophobicContact CB-CE1 4.22Å; E466-F525 HydrophobicContact CB-CE2 4.48Å; E466-F525 HydrophobicContact CB-CG 3.95Å; E466-F525 HydrophobicContact CB-CZ 4.48Å; Q467-F525 HydrophobicContact CB-CE2 3.72Å; Q467-F525 HydrophobicContact CB-CZ 4.1Å; Q467-F525 HydrophobicContact CG-CE2 4.25Å; Q467-F525 HydrophobicContact CG-CZ 4.47Å; H523-F525 PolarHBondContact O-N 3.33Å; H523-F525 VanDerWaalsContact O-N 3.08Å; F525-D527 VanDerWaalsContact C-N 3.31Å; F525-D527 PolarHBondContact O-N 3.42Å; F525-M528 WeakPolarHBondContact O-CB 3.32Å; F525-M528 PolarHBondContact O-N 2.92Å; F525-V529 HydrophobicContact CE1-CG2 4.13Å; F525-V529 HydrophobicContact CE2-CG2 4.31Å; F525-V529 HydrophobicContact CZ-CG2 3.95Å; F525-V529 WeakPolarHBondContact O-CG2 3.28Å; F525-V529 PolarHBondContact O-N 3.48Å; F525-V529 VanDerWaalsContact O-N 3.13Å; F525-T534 HydrophobicContact CE2-CG2 4.19Å
526	F	93.1	Very high	91.9	Very high	122 Å²	122	68.1 Å²	68.1	54%	0.535	32%	0.321	S	S	.	.	H	α-helix	trans	-68.5	-33.4	176.8	-61.2	-71.8	0	0	0	111.7	H523 V529 R530	H523-F526 WeakPolarHBondContact O-CB 3.44Å; H523-F526 PolarHBondContact O-N 3.29Å; F526-V529 PolarHBondContact O-N 3.25Å; F526-R530 WeakPolarHBondContact O-CB 3.31Å; F526-R530 PolarHBondContact O-N 2.94Å
527	D	94.4	Very high	91.4	Very high	26 Å²	26	72.4 Å²	72.4	14%	0.139	34%	0.337	C	S	.	.	H	α-helix	trans	-63.4	-42.6	172.3	-65.5	-35.8	0	0	0	111.3	M197 I210 H523 S524 F525 V529 R530 L531	M197-D527 HydrophobicContact CE-CB 3.96Å; I210-D527 HydrophobicContact CD1-CB 4.16Å; I210-D527 WeakPolarHBondContact CD1-OD1 3.47Å; I210-D527 HydrophobicContact CG1-CB 4.38Å; H523-D527 PolarHBondContact O-N 3.24Å; S524-D527 PolarHBondContact O-N 2.97Å; F525-D527 VanDerWaalsContact C-N 3.31Å; F525-D527 PolarHBondContact O-N 3.42Å; D527-V529 VanDerWaalsContact C-N 3.29Å; D527-V529 PolarHBondContact O-N 2.96Å; D527-R530 PolarHBondContact O-N 2.96Å; D527-L531 WeakPolarHBondContact O-CB 3.48Å; D527-L531 VanDerWaalsContact O-CG 3.32Å; D527-L531 WeakPolarHBondContact O-CG 3.34Å; D527-L531 PolarHBondContact O-N 3.2Å
528	M	94.1	Very high	91	Very high	5 Å²	5	75.8 Å²	75.8	3%	0.025	36%	0.355	C	S	.	.	H	α-helix	trans	-57.4	-42.7	173.8	-70.1	175.9	68.6	0	0	112.2	P193 P194 M197 R460 S524 F525 R532 L533 T534	P193-M528 HydrophobicContact CB-CE 3.69Å; P193-M528 HydrophobicContact CB-CG 3.95Å; P193-M528 HydrophobicContact CB-SD 3.96Å; P194-M528 HydrophobicContact CB-CG 4.25Å; P194-M528 HydrophobicContact CB-SD 3.67Å; P194-M528 HydrophobicContact CG-SD 4.49Å; M197-M528 HydrophobicContact CE-CG 4.25Å; M197-M528 HydrophobicContact SD-CB 4.28Å; M197-M528 HydrophobicContact SD-CG 3.49Å; M197-M528 WeakPolarHBondContact SD-CG 3.21Å; R460-M528 VanDerWaalsContact NH1-CE 3.35Å; S524-M528 WeakPolarHBondContact O-CG 3.45Å; S524-M528 PolarHBondContact O-N 3.3Å; F525-M528 WeakPolarHBondContact O-CB 3.32Å; F525-M528 PolarHBondContact O-N 2.92Å; M528-R532 PolarHBondContact O-N 3.46Å; M528-L533 PolarHBondContact O-N 2.88Å; M528-T534 WeakPolarHBondContact CE-OG1 3.38Å; M528-T534 PolarHBondContact O-N 2.97Å
529	V	93.4	Very high	90.6	Very high	30 Å²	30	74.1 Å²	74.1	18%	0.182	35%	0.346	C	S	.	.	H	α-helix	trans	-66.4	-45.8	177.2	167.7	0	0	0	0	111.1	F525 F526 D527 L531 R532 L536	F525-V529 HydrophobicContact CE1-CG2 4.13Å; F525-V529 HydrophobicContact CE2-CG2 4.31Å; F525-V529 HydrophobicContact CZ-CG2 3.95Å; F525-V529 WeakPolarHBondContact O-CG2 3.28Å; F525-V529 PolarHBondContact O-N 3.48Å; F525-V529 VanDerWaalsContact O-N 3.13Å; F526-V529 PolarHBondContact O-N 3.25Å; D527-V529 VanDerWaalsContact C-N 3.29Å; D527-V529 PolarHBondContact O-N 2.96Å; V529-L531 VanDerWaalsContact C-N 3.26Å; V529-L531 PolarHBondContact O-N 3.46Å; V529-R532 PolarHBondContact O-N 3.25Å; V529-L536 HydrophobicContact CB-CG 4.47Å; V529-L536 HydrophobicContact CG1-CD1 3.53Å; V529-L536 HydrophobicContact CG1-CD2 4Å; V529-L536 HydrophobicContact CG1-CG 3.52Å; V529-L536 HydrophobicContact CG2-CD2 3.79Å; V529-L536 HydrophobicContact CG2-CG 4.07Å
530	R	92.9	Very high	90	Very high	185 Å²	185	68.7 Å²	68.7	70%	0.698	33%	0.326	S	S	*	.	H	α-helix	trans	-58.2	-40.2	177.6	-179.1	-178.9	175.4	-172.3	-1.9	111.5	F526 D527 R532	F526-R530 WeakPolarHBondContact O-CB 3.31Å; F526-R530 PolarHBondContact O-N 2.94Å; D527-R530 PolarHBondContact O-N 2.96Å; R530-R532 PolarHBondContact O-N 3.15Å
531	L	93.3	Very high	88.7	Confident	49 Å²	49	74.4 Å²	74.4	26%	0.257	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	4	176.9	-63	-176.7	0	0	0	113.9	M197 Y199 I210 D527 V529 L533	M197-L531 HydrophobicContact CB-CD1 3.67Å; M197-L531 HydrophobicContact CG-CD1 4.42Å; M197-L531 HydrophobicContact SD-CD1 4.18Å; Y199-L531 VanDerWaalsContact CB-CD2 3.49Å; Y199-L531 HydrophobicContact CG-CD2 4.12Å; I210-L531 HydrophobicContact CG2-CD1 3.7Å; D527-L531 WeakPolarHBondContact O-CB 3.48Å; D527-L531 VanDerWaalsContact O-CG 3.32Å; D527-L531 WeakPolarHBondContact O-CG 3.34Å; D527-L531 PolarHBondContact O-N 3.2Å; V529-L531 VanDerWaalsContact C-N 3.26Å; V529-L531 PolarHBondContact O-N 3.46Å; L531-L533 HydrophobicContact CB-CD1 4.17Å; L531-L533 HydrophobicContact CB-CG 4.02Å; L531-L533 HydrophobicContact CD1-CD1 4.39Å; L531-L533 PolarHBondContact O-N 3.04Å; L531-L533 VanDerWaalsContact O-N 3.16Å
532	R	91.7	Very high	87.2	Confident	232 Å²	232	77.8 Å²	77.8	88%	0.875	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	23.2	-178.8	-53.9	179.8	179.8	170.6	-0	114.1	M528 V529 R530	M528-R532 PolarHBondContact O-N 3.46Å; V529-R532 PolarHBondContact O-N 3.25Å; R530-R532 PolarHBondContact O-N 3.15Å
533	L	89.6	Confident	85.5	Confident	94 Å²	94	78.2 Å²	78.2	49%	0.492	38%	0.38	S	S	.	.	S	Bend	trans	-76.1	-32.9	173.5	-61.2	175.5	0	0	0	111	P193 M197 M528 L531	P193-L533 HydrophobicContact CB-CD1 4.33Å; P193-L533 HydrophobicContact CG-CD1 3.85Å; M197-L533 HydrophobicContact CB-CD1 4.27Å; M197-L533 HydrophobicContact CG-CD1 3.71Å; M197-L533 HydrophobicContact SD-CD1 3.7Å; M528-L533 PolarHBondContact O-N 2.88Å; L531-L533 HydrophobicContact CB-CD1 4.17Å; L531-L533 HydrophobicContact CB-CG 4.02Å; L531-L533 HydrophobicContact CD1-CD1 4.39Å; L531-L533 PolarHBondContact O-N 3.04Å; L531-L533 VanDerWaalsContact O-N 3.16Å
534	T	88.6	Confident	83.7	Confident	12 Å²	12	80.2 Å²	80.2	7%	0.074	40%	0.397	C	S	.	.	S	Bend	trans	-119.9	126.1	176.6	-57.2	0	0	0	0	110.6	Q467 F525 M528	Q467-T534 HydrophobicContact CG-CG2 4.01Å; Q467-T534 VanDerWaalsContact NE2-CG2 3.3Å; F525-T534 HydrophobicContact CE2-CG2 4.19Å; M528-T534 WeakPolarHBondContact CE-OG1 3.38Å; M528-T534 PolarHBondContact O-N 2.97Å
535	P	86.1	Confident	81.8	Confident	61 Å²	61	89.8 Å²	89.8	40%	0.396	44%	0.435	S	S	.	.			trans	-75.9	135.5	175.2	30.5	-33.1	0	0	0	111.4	K537	P535-K537 HydrophobicContact CB-CB 4.34Å; P535-K537 HydrophobicContact CB-CD 4.39Å; P535-K537 HydrophobicContact CB-CG 4.21Å; P535-K537 PolarHBondContact O-N 2.74Å
536	L	84.2	Confident	80	Confident	110 Å²	110	95 Å²	95	58%	0.576	46%	0.463	S	S	*	.			trans	-78.2	65.7	163.2	-68	174.6	0	0	0	109.8	L470 V529	L470-L536 HydrophobicContact CD1-CB 4.35Å; L470-L536 HydrophobicContact CD1-CD2 3.43Å; L470-L536 VanDerWaalsContact CD1-CD2 3.43Å; L470-L536 HydrophobicContact CD1-CG 4.5Å; V529-L536 HydrophobicContact CB-CG 4.47Å; V529-L536 HydrophobicContact CG1-CD1 3.53Å; V529-L536 HydrophobicContact CG1-CD2 4Å; V529-L536 HydrophobicContact CG1-CG 3.52Å; V529-L536 HydrophobicContact CG2-CD2 3.79Å; V529-L536 HydrophobicContact CG2-CG 4.07Å
537	K	85.3	Confident	78.5	Confident	147 Å²	147	91.9 Å²	91.9	64%	0.639	46%	0.455	S	S	*	.	S	Bend	trans	-132.1	147.2	178.3	-66.8	-176.4	-179.8	-178.8	0	109.6	F471 P535 L539	F471-K537 WeakPolarHBondContact CE1-O 3.34Å; P535-K537 HydrophobicContact CB-CB 4.34Å; P535-K537 HydrophobicContact CB-CD 4.39Å; P535-K537 HydrophobicContact CB-CG 4.21Å; P535-K537 PolarHBondContact O-N 2.74Å; K537-L539 PolarHBondContact O-N 3.11Å
538	D	84.7	Confident	77.2	Confident	72 Å²	72	96.2 Å²	96.2	39%	0.385	49%	0.487	S	S	.	.			trans	-69.3	114.8	168.7	-167.7	-7.3	0	0	0	109	F471 K472 S540	F471-D538 VanDerWaalsContact CA-OD1 3.3Å; F471-D538 WeakPolarHBondContact CA-OD1 3.37Å; F471-D538 WeakPolarHBondContact CB-OD1 3.3Å; K472-D538 WeakPolarHBondContact CB-OD2 3.02Å; K472-D538 PolarHBondContact N-OD2 2.81Å; D538-S540 WeakPolarHBondContact OD1-CA 3.33Å; D538-S540 WeakPolarHBondContact OD1-CB 3.47Å; D538-S540 PolarHBondContact OD1-N 2.97Å; D538-S540 PolarHBondContact OD1-OG 3.18Å; D538-S540 PolarHBondContact OD2-OG 3.26Å
539	L	84.1	Confident	76.1	Confident	64 Å²	64	100.7 Å²	100.7	34%	0.335	51%	0.51	S	S	.	.			trans	-93.1	-3.1	174.8	-60.6	179.5	0	0	0	111.9	F448 F471 K537	F448-L539 HydrophobicContact CD2-CD1 3.68Å; F448-L539 HydrophobicContact CE2-CD1 4.25Å; F471-L539 HydrophobicContact CE1-CB 4.08Å; F471-L539 HydrophobicContact CE1-CG 4.17Å; F471-L539 HydrophobicContact CE2-CB 4.11Å; F471-L539 HydrophobicContact CZ-CB 3.7Å; F471-L539 HydrophobicContact CZ-CD1 4Å; F471-L539 HydrophobicContact CZ-CG 3.93Å; K537-L539 PolarHBondContact O-N 3.11Å
540	S	81.3	Confident	75.6	Confident	10 Å²	10	103 Å²	103	7%	0.07	52%	0.521	C	S	.	.	S	Bend	trans	-62.4	141.7	170.5	72.9	0	0	0	0	109.6	D538	D538-S540 WeakPolarHBondContact OD1-CA 3.33Å; D538-S540 WeakPolarHBondContact OD1-CB 3.47Å; D538-S540 PolarHBondContact OD1-N 2.97Å; D538-S540 PolarHBondContact OD1-OG 3.18Å; D538-S540 PolarHBondContact OD2-OG 3.26Å
541	Q	67.7	Low	75.1	Confident	146 Å²	146	100.3 Å²	100.3	68%	0.682	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-58.7	130.2	177.4	-69.2	-177.5	-5.2	0	0	107.9	T543	Q541-T543 PolarHBondContact O-N 3.43Å
542	P	60.5	Low	74.6	Confident	116 Å²	116	104.1 Å²	104.1	75%	0.753	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-56.2	119.4	179.2	22.3	-31.2	0	0	0	106.9	V544	P542-V544 VanDerWaalsContact C-N 3.32Å; P542-V544 PolarHBondContact O-N 2.95Å
543	T	53.9	Low	74.2	Confident	79 Å²	79	94 Å²	94	49%	0.485	50%	0.498	S	S	.	.			trans	-58.1	104.4	173.8	53.9	0	0	0	0	105.7	K472 Q541 Y545	K472-T543 HydrophobicContact CD-CG2 4.22Å; K472-T543 PolarHBondContact NZ-OG1 3.47Å; Q541-T543 PolarHBondContact O-N 3.43Å; T543-Y545 PolarHBondContact O-N 3.34Å
544	V	54.8	Low	74.1	Confident	114 Å²	114	92 Å²	92	69%	0.691	49%	0.487	S	S	*	.			trans	-47.3	131.7	168.2	-179.8	0	0	0	0	105.1	P542 N546	P542-V544 VanDerWaalsContact C-N 3.32Å; P542-V544 PolarHBondContact O-N 2.95Å; V544-N546 VanDerWaalsContact C-N 3.29Å; V544-N546 PolarHBondContact O-N 2.93Å
545	Y	52.1	Low	74	Confident	202 Å²	202	92.8 Å²	92.8	79%	0.792	49%	0.494	S	S	*	.			trans	-51.2	101.3	175.9	174.4	-93.3	0	0	0	107.8	T543	T543-Y545 PolarHBondContact O-N 3.34Å
546	N	55.4	Low	74	Confident	120 Å²	120	95.3 Å²	95.3	64%	0.642	50%	0.495	S	S	*	.			trans	-92.7	115.1	177.1	-81.7	-17.1	0	0	0	105.3	V544	V544-N546 VanDerWaalsContact C-N 3.29Å; V544-N546 PolarHBondContact O-N 2.93Å
547	P	61.1	Low	74.2	Confident	56 Å²	56	93.2 Å²	93.2	36%	0.364	48%	0.484	S	S	.	.			trans	-56.5	146.6	172.9	26.3	-34	0	0	0	109	L549 L550	P547-L549 PolarHBondContact O-N 3.41Å; P547-L550 HydrophobicContact CG-CD2 3.44Å; P547-L550 VanDerWaalsContact CG-CD2 3.44Å; P547-L550 HydrophobicContact CG-CG 3.96Å
548	S	66.2	Low	74.4	Confident	117 Å²	117	90.3 Å²	90.3	82%	0.818	47%	0.473	S	S	*	.	S	Bend	trans	-63.7	-13	-165.1	-50.4	0	0	0	0	115.2
549	L	72.1	Confident	74.6	Confident	98 Å²	98	93.4 Å²	93.4	51%	0.513	48%	0.483	S	S	.	.			trans	-158.8	133.5	167.4	-89.2	122.6	0	0	0	109.8	F384 P547	F384-L549 HydrophobicContact CE1-CD2 4.34Å; F384-L549 HydrophobicContact CZ-CD2 4.19Å; P547-L549 PolarHBondContact O-N 3.41Å
550	L	82.2	Confident	74.9	Confident	78 Å²	78	94.4 Å²	94.4	41%	0.408	49%	0.488	S	S	.	.			trans	-105.4	155.6	173.6	-69.5	167.2	0	0	0	110.8	P547 E552 D553	P547-L550 HydrophobicContact CG-CD2 3.44Å; P547-L550 VanDerWaalsContact CG-CD2 3.44Å; P547-L550 HydrophobicContact CG-CG 3.96Å; L550-E552 HydrophobicContact CB-CB 4.39Å; L550-E552 PolarHBondContact O-N 2.85Å; L550-D553 PolarHBondContact N-OD2 3.23Å; L550-D553 WeakPolarHBondContact O-CB 3.14Å; L550-D553 PolarHBondContact O-N 3.48Å
551	M	81.9	Confident	75.4	Confident	129 Å²	129	100.7 Å²	100.7	64%	0.635	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.5	171.7	-167.6	68.4	-167.3	0	0	111.8	D553 I554 S555 M558	M551-D553 VanDerWaalsContact C-N 3.27Å; M551-D553 PolarHBondContact O-N 3.28Å; M551-I554 HydrophobicContact CE-CD1 3.94Å; M551-I554 HydrophobicContact CE-CG1 4.3Å; M551-I554 WeakPolarHBondContact O-CG1 3.37Å; M551-I554 PolarHBondContact O-N 2.93Å; M551-I554 HydrophobicContact SD-CD1 3.7Å; M551-I554 HydrophobicContact SD-CG1 4.01Å; M551-S555 PolarHBondContact O-N 3.48Å; M551-M558 HydrophobicContact CE-CG 4.23Å
552	E	82.6	Confident	76.7	Confident	130 Å²	130	100.5 Å²	100.5	61%	0.607	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-33.5	174.1	-171.7	169.8	-175	0	0	112.4	L550 I554 S555	L550-E552 HydrophobicContact CB-CB 4.39Å; L550-E552 PolarHBondContact O-N 2.85Å; E552-I554 VanDerWaalsContact C-N 3.33Å; E552-I554 PolarHBondContact O-N 3.24Å; E552-S555 WeakPolarHBondContact O-CB 3.19Å; E552-S555 PolarHBondContact O-N 2.92Å; E552-S555 VanDerWaalsContact O-N 3.13Å; E552-S555 PolarHBondContact O-OG 3.01Å
553	D	83.8	Confident	78.3	Confident	20 Å²	20	99.6 Å²	99.6	11%	0.107	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-34	-178.7	-58.2	-33.8	0	0	0	111.6	N291 Y294 L550 M551	N291-D553 VanDerWaalsContact CA-O 3.26Å; N291-D553 WeakPolarHBondContact CA-O 3.44Å; Y294-D553 WeakPolarHBondContact CE2-O 3.47Å; L550-D553 PolarHBondContact N-OD2 3.23Å; L550-D553 WeakPolarHBondContact O-CB 3.14Å; L550-D553 PolarHBondContact O-N 3.48Å; M551-D553 VanDerWaalsContact C-N 3.27Å; M551-D553 PolarHBondContact O-N 3.28Å
554	I	87.5	Confident	80.2	Confident	51 Å²	51	98.1 Å²	98.1	26%	0.262	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	0.5	175.2	61.6	168.3	0	0	0	113.5	Y294 M551 E552 W556 I557 M558	Y294-I554 HydrophobicContact CE2-CG2 4.29Å; Y294-I554 WeakPolarHBondContact OH-CG2 3.41Å; M551-I554 HydrophobicContact CE-CD1 3.94Å; M551-I554 HydrophobicContact CE-CG1 4.3Å; M551-I554 WeakPolarHBondContact O-CG1 3.37Å; M551-I554 PolarHBondContact O-N 2.93Å; M551-I554 HydrophobicContact SD-CD1 3.7Å; M551-I554 HydrophobicContact SD-CG1 4.01Å; E552-I554 VanDerWaalsContact C-N 3.33Å; E552-I554 PolarHBondContact O-N 3.24Å; I554-W556 VanDerWaalsContact C-N 3.27Å; I554-W556 PolarHBondContact O-N 3.04Å; I554-I557 PolarHBondContact O-N 2.91Å; I554-M558 HydrophobicContact CD1-CG 4.33Å; I554-M558 HydrophobicContact CG1-CG 4.38Å; I554-M558 WeakPolarHBondContact O-CG 3.13Å; I554-M558 PolarHBondContact O-N 3.18Å
555	S	87.5	Confident	82.1	Confident	29 Å²	29	95.9 Å²	95.9	20%	0.203	48%	0.48	C	S	.	.	H	α-helix	trans	-60.1	-35.8	-171.8	68.6	0	0	0	0	113.2	M551 E552 M558 K559	M551-S555 PolarHBondContact O-N 3.48Å; E552-S555 WeakPolarHBondContact O-CB 3.19Å; E552-S555 PolarHBondContact O-N 2.92Å; E552-S555 VanDerWaalsContact O-N 3.13Å; E552-S555 PolarHBondContact O-OG 3.01Å; S555-M558 PolarHBondContact O-N 3.46Å; S555-K559 VanDerWaalsContact O-CG 3.26Å; S555-K559 WeakPolarHBondContact O-CG 3.35Å; S555-K559 PolarHBondContact O-N 3.46Å
556	W	85.1	Confident	84.2	Confident	114 Å²	114	88.8 Å²	88.8	43%	0.432	46%	0.46	S	S	.	.	H	α-helix	trans	-68.5	-43.2	179.9	-167.9	76.5	0	0	0	111.9	A295 I554 M558 K559 I560	A295-W556 HydrophobicContact CB-CE3 4.34Å; A295-W556 HydrophobicContact CB-CH2 3.77Å; A295-W556 HydrophobicContact CB-CZ2 4.49Å; A295-W556 HydrophobicContact CB-CZ3 3.69Å; I554-W556 VanDerWaalsContact C-N 3.27Å; I554-W556 PolarHBondContact O-N 3.04Å; W556-M558 PolarHBondContact O-N 2.92Å; W556-K559 PolarHBondContact O-N 2.79Å; W556-I560 HydrophobicContact CD2-CD1 3.81Å; W556-I560 HydrophobicContact CE3-CD1 3.59Å; W556-I560 HydrophobicContact CH2-CD1 3.48Å; W556-I560 VanDerWaalsContact CH2-CD1 3.48Å; W556-I560 HydrophobicContact CZ2-CD1 3.7Å; W556-I560 HydrophobicContact CZ3-CD1 3.41Å; W556-I560 VanDerWaalsContact CZ3-CD1 3.41Å; W556-I560 WeakPolarHBondContact O-CG1 3.22Å; W556-I560 PolarHBondContact O-N 3.48Å; W556-I560 VanDerWaalsContact O-N 3.09Å
557	I	87.6	Confident	86	Confident	66 Å²	66	88.2 Å²	88.2	34%	0.338	46%	0.456	S	S	.	.	H	α-helix	trans	-61.5	-45.9	174	-67.4	172.4	0	0	0	110.3	Y294 I554 K559 I560 Y561	Y294-I557 HydrophobicContact CD1-CD1 3.36Å; Y294-I557 HydrophobicContact CD2-CD1 3.64Å; Y294-I557 HydrophobicContact CD2-CG1 4.35Å; Y294-I557 HydrophobicContact CE1-CD1 3.63Å; Y294-I557 HydrophobicContact CE2-CD1 3.9Å; Y294-I557 HydrophobicContact CG-CD1 3.33Å; Y294-I557 HydrophobicContact CG-CG1 4.18Å; I554-I557 PolarHBondContact O-N 2.91Å; I557-K559 VanDerWaalsContact C-N 3.29Å; I557-K559 PolarHBondContact O-N 2.9Å; I557-I560 PolarHBondContact O-N 3.3Å; I557-Y561 WeakPolarHBondContact O-CB 3.31Å; I557-Y561 PolarHBondContact O-N 3.38Å
558	M	89.4	Confident	87.5	Confident	85 Å²	85	89.3 Å²	89.3	42%	0.419	47%	0.465	S	S	.	.	H	α-helix	trans	-61.8	-37.2	179.8	-69.6	-60.3	-68.9	0	0	112.2	M551 I554 S555 W556 Y561 F562	M551-M558 HydrophobicContact CE-CG 4.23Å; I554-M558 HydrophobicContact CD1-CG 4.33Å; I554-M558 HydrophobicContact CG1-CG 4.38Å; I554-M558 WeakPolarHBondContact O-CG 3.13Å; I554-M558 PolarHBondContact O-N 3.18Å; S555-M558 PolarHBondContact O-N 3.46Å; W556-M558 PolarHBondContact O-N 2.92Å; M558-Y561 PolarHBondContact O-N 3.02Å; M558-F562 WeakPolarHBondContact O-CB 3.49Å; M558-F562 PolarHBondContact O-N 3.48Å
559	K	90	Very high	88.9	Confident	137 Å²	137	87.7 Å²	87.7	60%	0.596	45%	0.45	S	S	*	.	H	α-helix	trans	-63.6	-45.9	173.6	-74.1	169.2	-174	175.1	0	111.8	S555 W556 I557 Y561 F562 V563	S555-K559 VanDerWaalsContact O-CG 3.26Å; S555-K559 WeakPolarHBondContact O-CG 3.35Å; S555-K559 PolarHBondContact O-N 3.46Å; W556-K559 PolarHBondContact O-N 2.79Å; I557-K559 VanDerWaalsContact C-N 3.29Å; I557-K559 PolarHBondContact O-N 2.9Å; K559-Y561 VanDerWaalsContact C-N 3.34Å; K559-F562 PolarHBondContact O-N 3.49Å; K559-V563 WeakPolarHBondContact O-CG2 3.28Å; K559-V563 PolarHBondContact O-N 3.01Å
560	I	89.6	Confident	90	Very high	85 Å²	85	88.7 Å²	88.7	44%	0.436	45%	0.451	S	S	.	.	H	α-helix	trans	-61.7	-45.4	177.2	-68.1	170.7	0	0	0	110.5	W556 I557 F562 V563 A564	W556-I560 HydrophobicContact CD2-CD1 3.81Å; W556-I560 HydrophobicContact CE3-CD1 3.59Å; W556-I560 HydrophobicContact CH2-CD1 3.48Å; W556-I560 VanDerWaalsContact CH2-CD1 3.48Å; W556-I560 HydrophobicContact CZ2-CD1 3.7Å; W556-I560 HydrophobicContact CZ3-CD1 3.41Å; W556-I560 VanDerWaalsContact CZ3-CD1 3.41Å; W556-I560 WeakPolarHBondContact O-CG1 3.22Å; W556-I560 PolarHBondContact O-N 3.48Å; W556-I560 VanDerWaalsContact O-N 3.09Å; I557-I560 PolarHBondContact O-N 3.3Å; I560-F562 VanDerWaalsContact C-N 3.35Å; I560-F562 PolarHBondContact O-N 3.14Å; I560-V563 PolarHBondContact O-N 2.95Å; I560-A564 WeakPolarHBondContact O-CB 3.39Å; I560-A564 PolarHBondContact O-N 2.91Å
561	Y	91.8	Very high	90.5	Very high	143 Å²	143	87.8 Å²	87.8	56%	0.561	45%	0.45	S	S	*	.	H	α-helix	trans	-59.1	-45.1	177.1	179.4	-111.2	0	0	0	112	I557 M558 K559 A564 I565	I557-Y561 WeakPolarHBondContact O-CB 3.31Å; I557-Y561 PolarHBondContact O-N 3.38Å; M558-Y561 PolarHBondContact O-N 3.02Å; K559-Y561 VanDerWaalsContact C-N 3.34Å; Y561-A564 PolarHBondContact O-N 3.35Å; Y561-I565 HydrophobicContact CD1-CD1 3.76Å; Y561-I565 HydrophobicContact CD2-CD1 4.23Å; Y561-I565 HydrophobicContact CE1-CD1 3.22Å; Y561-I565 HydrophobicContact CE1-CG1 4.44Å; Y561-I565 HydrophobicContact CE2-CD1 3.74Å; Y561-I565 HydrophobicContact CE2-CG1 4.25Å; Y561-I565 HydrophobicContact CG-CD1 4.24Å; Y561-I565 WeakPolarHBondContact O-CG1 3.39Å; Y561-I565 PolarHBondContact O-N 3.46Å
562	F	94.8	Very high	91	Very high	142 Å²	142	87.7 Å²	87.7	62%	0.623	45%	0.447	S	S	*	.	H	α-helix	trans	-62.7	-43.7	177.4	-178.8	-97	0	0	0	112.6	M558 K559 I560 S566	M558-F562 WeakPolarHBondContact O-CB 3.49Å; M558-F562 PolarHBondContact O-N 3.48Å; K559-F562 PolarHBondContact O-N 3.49Å; I560-F562 VanDerWaalsContact C-N 3.35Å; I560-F562 PolarHBondContact O-N 3.14Å; F562-S566 WeakPolarHBondContact O-CB 3.32Å; F562-S566 PolarHBondContact O-N 3.38Å; F562-S566 PolarHBondContact O-OG 3.35Å
563	V	95.7	Very high	91.5	Very high	97 Å²	97	85 Å²	85	59%	0.588	44%	0.439	S	S	*	.	H	α-helix	trans	-62.7	-44	175.5	172.6	0	0	0	0	110.7	K559 I560 S566 L567	K559-V563 WeakPolarHBondContact O-CG2 3.28Å; K559-V563 PolarHBondContact O-N 3.01Å; I560-V563 PolarHBondContact O-N 2.95Å; V563-S566 PolarHBondContact O-N 2.84Å; V563-L567 WeakPolarHBondContact O-CB 3.36Å; V563-L567 PolarHBondContact O-N 3.35Å
564	A	93.3	Very high	92	Very high	48 Å²	48	89.1 Å²	89.1	40%	0.397	46%	0.459	S	S	.	.	H	α-helix	trans	-61.9	-46	179.4	0	0	0	0	0	112.2	I560 Y561 L567 S568	I560-A564 WeakPolarHBondContact O-CB 3.39Å; I560-A564 PolarHBondContact O-N 2.91Å; Y561-A564 PolarHBondContact O-N 3.35Å; A564-L567 PolarHBondContact O-N 2.94Å; A564-S568 PolarHBondContact O-N 3.41Å; A564-S568 PolarHBondContact O-OG 2.91Å; A564-S568 VanDerWaalsContact O-OG 3.12Å
565	I	95.1	Very high	92.3	Very high	67 Å²	67	93 Å²	93	34%	0.344	48%	0.476	S	S	.	.	H	α-helix	trans	-61.4	-46.8	174.9	-72.2	167.4	0	0	0	110.9	Y561 L567 S568 V569	Y561-I565 HydrophobicContact CD1-CD1 3.76Å; Y561-I565 HydrophobicContact CD2-CD1 4.23Å; Y561-I565 HydrophobicContact CE1-CD1 3.22Å; Y561-I565 HydrophobicContact CE1-CG1 4.44Å; Y561-I565 HydrophobicContact CE2-CD1 3.74Å; Y561-I565 HydrophobicContact CE2-CG1 4.25Å; Y561-I565 HydrophobicContact CG-CD1 4.24Å; Y561-I565 WeakPolarHBondContact O-CG1 3.39Å; Y561-I565 PolarHBondContact O-N 3.46Å; I565-L567 PolarHBondContact O-N 3.32Å; I565-S568 PolarHBondContact O-N 2.88Å; I565-S568 VanDerWaalsContact O-N 3.09Å; I565-V569 HydrophobicContact CG2-CG2 4.14Å; I565-V569 WeakPolarHBondContact O-CG2 3.42Å; I565-V569 PolarHBondContact O-N 3.42Å
566	S	94.9	Very high	92.5	Very high	52 Å²	52	95 Å²	95	36%	0.364	48%	0.484	S	S	.	.	H	α-helix	trans	-58.7	-41.5	-178.9	-60.5	0	0	0	0	111	F562 V563 F570	F562-S566 WeakPolarHBondContact O-CB 3.32Å; F562-S566 PolarHBondContact O-N 3.38Å; F562-S566 PolarHBondContact O-OG 3.35Å; V563-S566 PolarHBondContact O-N 2.84Å; S566-F570 WeakPolarHBondContact O-CB 3.22Å; S566-F570 PolarHBondContact O-N 3.4Å
567	L	94.9	Very high	92.7	Very high	108 Å²	108	91.4 Å²	91.4	57%	0.565	48%	0.482	S	S	*	.	H	α-helix	trans	-65	-43.7	174.5	-175	65.8	0	0	0	112	V563 A564 I565 F570 C571	V563-L567 WeakPolarHBondContact O-CB 3.36Å; V563-L567 PolarHBondContact O-N 3.35Å; A564-L567 PolarHBondContact O-N 2.94Å; I565-L567 PolarHBondContact O-N 3.32Å; L567-F570 PolarHBondContact O-N 3.49Å; L567-C571 PolarHBondContact O-N 3.13Å; L567-C571 PolarHBondContact O-SG 3.47Å
568	S	92.6	Very high	92.8	Very high	80 Å²	80	95.8 Å²	95.8	56%	0.559	49%	0.494	S	S	*	.	H	α-helix	trans	-61.2	-44.6	176.8	-63.2	0	0	0	0	112.4	A564 I565 F570 C571 F572	A564-S568 PolarHBondContact O-N 3.41Å; A564-S568 PolarHBondContact O-OG 2.91Å; A564-S568 VanDerWaalsContact O-OG 3.12Å; I565-S568 PolarHBondContact O-N 2.88Å; I565-S568 VanDerWaalsContact O-N 3.09Å; S568-F570 VanDerWaalsContact C-N 3.35Å; S568-C571 PolarHBondContact O-N 3.3Å; S568-F572 WeakPolarHBondContact O-CB 3.28Å; S568-F572 PolarHBondContact O-N 2.92Å
569	V	95.1	Very high	92.7	Very high	82 Å²	82	94.9 Å²	94.9	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-62.5	-44.2	175.9	173.1	0	0	0	0	110.4	I565 F572 T573	I565-V569 HydrophobicContact CG2-CG2 4.14Å; I565-V569 WeakPolarHBondContact O-CG2 3.42Å; I565-V569 PolarHBondContact O-N 3.42Å; V569-F572 PolarHBondContact O-N 2.92Å; V569-T573 HydrophobicContact CG1-CG2 4.42Å; V569-T573 WeakPolarHBondContact O-CG2 3.25Å; V569-T573 PolarHBondContact O-N 3.42Å; V569-T573 PolarHBondContact O-OG1 3.07Å
570	F	94.9	Very high	92.5	Very high	119 Å²	119	95.3 Å²	95.3	52%	0.522	49%	0.493	S	S	.	.	H	α-helix	trans	-59.5	-50.7	177.1	179.7	-102.2	0	0	0	111.9	S566 L567 S568 F572 T573 M574	S566-F570 WeakPolarHBondContact O-CB 3.22Å; S566-F570 PolarHBondContact O-N 3.4Å; L567-F570 PolarHBondContact O-N 3.49Å; S568-F570 VanDerWaalsContact C-N 3.35Å; F570-F572 VanDerWaalsContact C-N 3.31Å; F570-F572 PolarHBondContact O-N 2.94Å; F570-T573 PolarHBondContact O-N 3.38Å; F570-T573 PolarHBondContact O-OG1 3.09Å; F570-M574 HydrophobicContact CD1-CG 4.3Å; F570-M574 HydrophobicContact CE1-CG 3.88Å; F570-M574 HydrophobicContact CE2-CG 4.13Å; F570-M574 HydrophobicContact CE2-SD 4.46Å; F570-M574 HydrophobicContact CZ-CG 3.79Å; F570-M574 HydrophobicContact CZ-SD 4.15Å; F570-M574 WeakPolarHBondContact O-CG 3.43Å; F570-M574 PolarHBondContact O-N 2.95Å
571	C	92.2	Very high	92.2	Very high	60 Å²	60	96.2 Å²	96.2	41%	0.405	49%	0.491	S	S	.	.	H	α-helix	trans	-56.3	-45.5	176.2	-69.4	0	0	0	0	111.8	L567 S568 T573 M574 E575	L567-C571 PolarHBondContact O-N 3.13Å; L567-C571 PolarHBondContact O-SG 3.47Å; S568-C571 PolarHBondContact O-N 3.3Å; C571-T573 PolarHBondContact O-N 3.33Å; C571-M574 WeakPolarHBondContact O-CB 3.28Å; C571-M574 PolarHBondContact O-N 2.97Å; C571-E575 WeakPolarHBondContact O-CG 3.35Å; C571-E575 PolarHBondContact O-N 3.26Å
572	F	93.4	Very high	91.7	Very high	127 Å²	127	94.7 Å²	94.7	56%	0.557	49%	0.487	S	S	*	.	H	α-helix	trans	-61.9	-43.1	178.1	-178.8	-109	0	0	0	112.8	S568 V569 F570 M574 E575 I576	S568-F572 WeakPolarHBondContact O-CB 3.28Å; S568-F572 PolarHBondContact O-N 2.92Å; V569-F572 PolarHBondContact O-N 2.92Å; F570-F572 VanDerWaalsContact C-N 3.31Å; F570-F572 PolarHBondContact O-N 2.94Å; F572-M574 VanDerWaalsContact C-N 3.33Å; F572-M574 PolarHBondContact O-N 3.17Å; F572-E575 PolarHBondContact O-N 3.09Å; F572-I576 HydrophobicContact CD1-CD1 3.91Å; F572-I576 HydrophobicContact CE1-CD1 3.4Å; F572-I576 HydrophobicContact CE2-CD1 4.17Å; F572-I576 HydrophobicContact CZ-CD1 3.56Å; F572-I576 HydrophobicContact CZ-CG1 4.42Å; F572-I576 WeakPolarHBondContact O-CG1 3.44Å; F572-I576 PolarHBondContact O-N 3.49Å; F572-I576 VanDerWaalsContact O-N 3.1Å
573	T	93.6	Very high	91	Very high	72 Å²	72	96.1 Å²	96.1	44%	0.442	49%	0.489	S	S	.	.	H	α-helix	trans	-66	-36.3	176.4	58.8	0	0	0	0	112.6	V569 F570 C571 I576 G577	V569-T573 HydrophobicContact CG1-CG2 4.42Å; V569-T573 WeakPolarHBondContact O-CG2 3.25Å; V569-T573 PolarHBondContact O-N 3.42Å; V569-T573 PolarHBondContact O-OG1 3.07Å; F570-T573 PolarHBondContact O-N 3.38Å; F570-T573 PolarHBondContact O-OG1 3.09Å; C571-T573 PolarHBondContact O-N 3.33Å; T573-I576 PolarHBondContact O-N 3.49Å; T573-G577 PolarHBondContact O-N 2.68Å
574	M	92.8	Very high	90	Very high	107 Å²	107	102.1 Å²	102.1	53%	0.527	50%	0.501	S	S	.	.	H	α-helix	trans	-66.6	-40.4	175.1	-76.2	-65.2	-65	0	0	111.8	F570 C571 F572 G577 W578	F570-M574 HydrophobicContact CD1-CG 4.3Å; F570-M574 HydrophobicContact CE1-CG 3.88Å; F570-M574 HydrophobicContact CE2-CG 4.13Å; F570-M574 HydrophobicContact CE2-SD 4.46Å; F570-M574 HydrophobicContact CZ-CG 3.79Å; F570-M574 HydrophobicContact CZ-SD 4.15Å; F570-M574 WeakPolarHBondContact O-CG 3.43Å; F570-M574 PolarHBondContact O-N 2.95Å; C571-M574 WeakPolarHBondContact O-CB 3.28Å; C571-M574 PolarHBondContact O-N 2.97Å; F572-M574 VanDerWaalsContact C-N 3.33Å; F572-M574 PolarHBondContact O-N 3.17Å; M574-G577 PolarHBondContact O-N 3.25Å; M574-W578 VanDerWaalsContact O-CB 3.25Å; M574-W578 WeakPolarHBondContact O-CB 3.47Å; M574-W578 PolarHBondContact O-N 3.36Å
575	E	93.4	Very high	89	Confident	134 Å²	134	107.6 Å²	107.6	63%	0.626	51%	0.511	S	S	*	.	H	α-helix	trans	-61.8	-45.6	175	-75	176.4	-177.5	0	0	111.7	C571 F572 W578 D579	C571-E575 WeakPolarHBondContact O-CG 3.35Å; C571-E575 PolarHBondContact O-N 3.26Å; F572-E575 PolarHBondContact O-N 3.09Å; E575-W578 PolarHBondContact O-N 3.1Å; E575-D579 WeakPolarHBondContact O-CB 3.15Å; E575-D579 PolarHBondContact O-N 3.43Å
576	I	92.1	Very high	87.2	Confident	71 Å²	71	112.4 Å²	112.4	36%	0.364	54%	0.537	S	S	.	.	H	α-helix	trans	-63.4	-43.5	175.5	-66.6	172.2	0	0	0	110.9	F572 T573 D579 K580	F572-I576 HydrophobicContact CD1-CD1 3.91Å; F572-I576 HydrophobicContact CE1-CD1 3.4Å; F572-I576 HydrophobicContact CE2-CD1 4.17Å; F572-I576 HydrophobicContact CZ-CD1 3.56Å; F572-I576 HydrophobicContact CZ-CG1 4.42Å; F572-I576 WeakPolarHBondContact O-CG1 3.44Å; F572-I576 PolarHBondContact O-N 3.49Å; F572-I576 VanDerWaalsContact O-N 3.1Å; T573-I576 PolarHBondContact O-N 3.49Å; I576-D579 PolarHBondContact O-N 3.32Å; I576-K580 HydrophobicContact CG2-CD 4.21Å; I576-K580 HydrophobicContact CG2-CG 4.49Å; I576-K580 WeakPolarHBondContact O-CB 3.42Å; I576-K580 WeakPolarHBondContact O-CG 3.44Å; I576-K580 PolarHBondContact O-N 3.09Å
577	G	90.3	Very high	86.8	Confident	38 Å²	38	115.4 Å²	115.4	39%	0.392	55%	0.546	S	S	.	.	H	α-helix	trans	-62	-43.5	178.2	0	0	0	0	0	112	T573 M574 K580 W581	T573-G577 PolarHBondContact O-N 2.68Å; M574-G577 PolarHBondContact O-N 3.25Å; G577-K580 PolarHBondContact O-N 3.43Å; G577-W581 VanDerWaalsContact O-CB 3.28Å; G577-W581 WeakPolarHBondContact O-CB 3.05Å; G577-W581 PolarHBondContact O-N 3.29Å
578	W	89.5	Confident	86.4	Confident	158 Å²	158	115.8 Å²	115.8	60%	0.598	55%	0.545	S	S	*	.	H	α-helix	trans	-65.2	-44.4	176.8	-175.9	-95.6	0	0	0	112.3	M574 E575 W581 K582	M574-W578 VanDerWaalsContact O-CB 3.25Å; M574-W578 WeakPolarHBondContact O-CB 3.47Å; M574-W578 PolarHBondContact O-N 3.36Å; E575-W578 PolarHBondContact O-N 3.1Å; W578-W581 HydrophobicContact CD2-CE3 4.35Å; W578-W581 AromaticContact CE3-CE3 3.95Å; W578-W581 HydrophobicContact CE3-CE3 3.95Å; W578-W581 AromaticContact CE3-CZ3 3.94Å; W578-W581 HydrophobicContact CE3-CZ3 3.94Å; W578-W581 HydrophobicContact CH2-CE3 4.3Å; W578-W581 HydrophobicContact CH2-CH2 4.38Å; W578-W581 AromaticContact CH2-CZ3 3.55Å; W578-W581 HydrophobicContact CH2-CZ3 3.55Å; W578-W581 HydrophobicContact CZ2-CZ3 4.15Å; W578-W581 AromaticContact CZ3-CE3 3.93Å; W578-W581 HydrophobicContact CZ3-CE3 3.93Å; W578-W581 HydrophobicContact CZ3-CH2 4.19Å; W578-W581 AromaticContact CZ3-CZ3 3.42Å; W578-W581 HydrophobicContact CZ3-CZ3 3.42Å; W578-W581 VanDerWaalsContact CZ3-CZ3 3.42Å; W578-W581 PolarHBondContact O-N 3.31Å; W578-K582 WeakPolarHBondContact O-CB 3.41Å; W578-K582 PolarHBondContact O-N 3.46Å
579	D	87.1	Confident	86	Confident	66 Å²	66	117.8 Å²	117.8	35%	0.353	54%	0.544	S	S	.	.	H	α-helix	trans	-64.6	-41.9	177.1	-174	39.2	0	0	0	111.4	E575 I576 K582 R583	E575-D579 WeakPolarHBondContact O-CB 3.15Å; E575-D579 PolarHBondContact O-N 3.43Å; I576-D579 PolarHBondContact O-N 3.32Å; D579-K582 PolarHBondContact O-N 3.49Å; D579-R583 WeakPolarHBondContact O-CB 3.22Å; D579-R583 VanDerWaalsContact O-CG 3.31Å; D579-R583 WeakPolarHBondContact O-CG 3.4Å; D579-R583 PolarHBondContact O-N 2.95Å; D579-R583 IonicContact OD1-CZ 3.8Å; D579-R583 IonicContact OD1-NE 2.68Å; D579-R583 PolarHBondContact OD1-NE 2.93Å; D579-R583 IonicContact OD1-NH2 3.21Å; D579-R583 IonicContact OD2-CZ 2.74Å; D579-R583 IonicContact OD2-NE 3.63Å; D579-R583 PolarHBondContact OD2-NE 2.93Å; D579-R583 IonicContact OD2-NH2 3.87Å; D579-R583 PolarHBondContact OD2-NH2 3.39Å
580	K	85.4	Confident	85.5	Confident	146 Å²	146	119.9 Å²	119.9	64%	0.635	55%	0.547	S	S	*	.	H	α-helix	trans	-63.4	-42.1	173.3	-77.4	-176.3	177.7	-177.7	0	112.6	I576 G577 R583 W584	I576-K580 HydrophobicContact CG2-CD 4.21Å; I576-K580 HydrophobicContact CG2-CG 4.49Å; I576-K580 WeakPolarHBondContact O-CB 3.42Å; I576-K580 WeakPolarHBondContact O-CG 3.44Å; I576-K580 PolarHBondContact O-N 3.09Å; G577-K580 PolarHBondContact O-N 3.43Å; K580-R583 PolarHBondContact O-N 3.05Å; K580-W584 WeakPolarHBondContact O-CB 3.44Å; K580-W584 PolarHBondContact O-N 3.43Å
581	W	83.1	Confident	84.9	Confident	103 Å²	103	119.9 Å²	119.9	39%	0.39	55%	0.549	S	S	.	.	H	α-helix	trans	-66.6	-39.7	177.7	-179.4	69.4	0	0	0	112.2	G577 W578 W584 R585	G577-W581 VanDerWaalsContact O-CB 3.28Å; G577-W581 WeakPolarHBondContact O-CB 3.05Å; G577-W581 PolarHBondContact O-N 3.29Å; W578-W581 HydrophobicContact CD2-CE3 4.35Å; W578-W581 AromaticContact CE3-CE3 3.95Å; W578-W581 HydrophobicContact CE3-CE3 3.95Å; W578-W581 AromaticContact CE3-CZ3 3.94Å; W578-W581 HydrophobicContact CE3-CZ3 3.94Å; W578-W581 HydrophobicContact CH2-CE3 4.3Å; W578-W581 HydrophobicContact CH2-CH2 4.38Å; W578-W581 AromaticContact CH2-CZ3 3.55Å; W578-W581 HydrophobicContact CH2-CZ3 3.55Å; W578-W581 HydrophobicContact CZ2-CZ3 4.15Å; W578-W581 AromaticContact CZ3-CE3 3.93Å; W578-W581 HydrophobicContact CZ3-CE3 3.93Å; W578-W581 HydrophobicContact CZ3-CH2 4.19Å; W578-W581 AromaticContact CZ3-CZ3 3.42Å; W578-W581 HydrophobicContact CZ3-CZ3 3.42Å; W578-W581 VanDerWaalsContact CZ3-CZ3 3.42Å; W578-W581 PolarHBondContact O-N 3.31Å; W581-W584 PolarHBondContact O-N 3.26Å; W581-R585 VanDerWaalsContact CZ3-NH1 3.32Å; W581-R585 WeakPolarHBondContact O-CB 3.46Å; W581-R585 PolarHBondContact O-N 3.11Å; W581-R585 VanDerWaalsContact O-N 3.1Å
582	K	82.1	Confident	84.4	Confident	111 Å²	111	123.9 Å²	123.9	48%	0.483	56%	0.558	S	S	.	*	H	α-helix	trans	-61.6	-47	174.1	-169.2	-179.2	178.1	-173.7	0	111.1	W578 D579 W584 R585 D586	W578-K582 WeakPolarHBondContact O-CB 3.41Å; W578-K582 PolarHBondContact O-N 3.46Å; D579-K582 PolarHBondContact O-N 3.49Å; K582-W584 PolarHBondContact O-N 3.1Å; K582-R585 PolarHBondContact O-N 3.22Å; K582-R585 VanDerWaalsContact O-N 3.15Å; K582-D586 PolarHBondContact O-N 3.17Å
583	R	79	Confident	83.8	Confident	173 Å²	173	123.7 Å²	123.7	65%	0.653	56%	0.558	S	S	*	*	H	α-helix	trans	-67.5	-16.8	175.4	-69.7	179.6	-160.9	-173.6	3.4	115.1	D579 K580	D579-R583 WeakPolarHBondContact O-CB 3.22Å; D579-R583 VanDerWaalsContact O-CG 3.31Å; D579-R583 WeakPolarHBondContact O-CG 3.4Å; D579-R583 PolarHBondContact O-N 2.95Å; D579-R583 IonicContact OD1-CZ 3.8Å; D579-R583 IonicContact OD1-NE 2.68Å; D579-R583 PolarHBondContact OD1-NE 2.93Å; D579-R583 IonicContact OD1-NH2 3.21Å; D579-R583 IonicContact OD2-CZ 2.74Å; D579-R583 IonicContact OD2-NE 3.63Å; D579-R583 PolarHBondContact OD2-NE 2.93Å; D579-R583 IonicContact OD2-NH2 3.87Å; D579-R583 PolarHBondContact OD2-NH2 3.39Å; K580-R583 PolarHBondContact O-N 3.05Å
584	W	75.7	Confident	83.1	Confident	222 Å²	222	127.7 Å²	127.7	84%	0.841	57%	0.567	S	S	*	*	H	α-helix	trans	-91.1	-17.3	174.8	-162.8	71.4	0	0	0	112.2	K580 W581 K582	K580-W584 WeakPolarHBondContact O-CB 3.44Å; K580-W584 PolarHBondContact O-N 3.43Å; W581-W584 PolarHBondContact O-N 3.26Å; K582-W584 PolarHBondContact O-N 3.1Å
585	R	72.4	Confident	82.2	Confident	164 Å²	164	129.4 Å²	129.4	62%	0.619	57%	0.571	S	S	*	*	H	α-helix	trans	-95	-36.1	178.5	178.9	-177.2	-77.8	178.5	-13.9	112.6	W581 K582	W581-R585 VanDerWaalsContact CZ3-NH1 3.32Å; W581-R585 WeakPolarHBondContact O-CB 3.46Å; W581-R585 PolarHBondContact O-N 3.11Å; W581-R585 VanDerWaalsContact O-N 3.1Å; K582-R585 PolarHBondContact O-N 3.22Å; K582-R585 VanDerWaalsContact O-N 3.15Å
586	D	56.9	Low	81.2	Confident	167 Å²	167	129 Å²	129	89%	0.893	57%	0.565	S	S	*	*			trans	-73.9	0	165.7	-63.5	-24.5	0	0	0	109.9	K582	K582-D586 PolarHBondContact O-N 3.17Å

Retrieved 586 of 586 residues in 671.5 ms (Link to these results)

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