A0A3Q0KHY2_SCHMA Loading...

Inhibitor of apoptosis protein,putative

AlphaFold DB , UniProt , Accession A0A3Q0KHY2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 394 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	49	Very low	66.6	Low	192 Å²	192	49.6 Å²	49.6	95%	0.946	27%	0.266	S	S	*	.				0	131.5	0	-66.9	-57.8	-172.2	0	0	108.2	N6	M1-N6 WeakPolarHBondContact CB-OD1 3.49Å
2	S	64	Low	67.1	Low	67 Å²	67	50.8 Å²	50.8	47%	0.469	27%	0.273	S	S	.	.			trans	-63.9	141.5	171.8	53.8	0	0	0	0	108	F4 Q5 N6	S2-F4 PolarHBondContact O-N 3.1Å; S2-Q5 WeakPolarHBondContact O-CB 3.01Å; S2-Q5 PolarHBondContact O-N 3.07Å; S2-Q5 PolarHBondContact OG-N 3.46Å; S2-N6 PolarHBondContact O-N 3.49Å
3	C	61.2	Low	67.6	Low	46 Å²	46	53.5 Å²	53.5	31%	0.311	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-18.2	178.4	-34	0	0	0	0	112.1	L7 P371	C3-L7 WeakPolarHBondContact O-CB 3.42Å; C3-L7 PolarHBondContact O-N 2.73Å; C3-L7 VanDerWaalsContact O-N 3.13Å; C3-P371 VanDerWaalsContact CB-CD 3.42Å; C3-P371 HydrophobicContact CB-CG 4.07Å
4	F	65.8	Low	67.6	Low	45 Å²	45	51.9 Å²	51.9	20%	0.197	28%	0.28	C	S	.	.	H	α-helix	trans	-58.2	-50.2	166.5	175.2	-85.1	0	0	0	112	S2 N6 L7 S8 P371 Q375 F376 W379	S2-F4 PolarHBondContact O-N 3.1Å; F4-N6 VanDerWaalsContact C-N 3.31Å; F4-N6 PolarHBondContact O-N 3.39Å; F4-L7 PolarHBondContact O-N 3.25Å; F4-L7 VanDerWaalsContact O-N 3.11Å; F4-S8 PolarHBondContact O-N 3.35Å; F4-S8 PolarHBondContact O-OG 2.95Å; F4-P371 HydrophobicContact CB-CG 4.02Å; F4-Q375 HydrophobicContact CE2-CB 4.41Å; F4-F376 HydrophobicContact CD2-CB 3.85Å; F4-F376 HydrophobicContact CD2-CD2 4.12Å; F4-F376 VanDerWaalsContact CE2-CA 3.48Å; F4-F376 HydrophobicContact CE2-CB 3.8Å; F4-F376 AromaticContact CE2-CD2 3.97Å; F4-F376 HydrophobicContact CE2-CD2 3.97Å; F4-F376 HydrophobicContact CE2-CG 4.38Å; F4-W379 HydrophobicContact CE2-CB 4.23Å; F4-W379 HydrophobicContact CZ-CB 3.92Å; F4-W379 HydrophobicContact CZ-CD2 4.32Å; F4-W379 AromaticContact CZ-CG 3.9Å; F4-W379 HydrophobicContact CZ-CG 3.9Å
5	Q	69.5	Low	67.7	Low	75 Å²	75	49.8 Å²	49.8	35%	0.35	27%	0.267	S	S	.	.	H	α-helix	trans	-63.1	-41.5	-180	-168.8	63.9	45.8	0	0	110.7	S2 L7 S8 D9	S2-Q5 WeakPolarHBondContact O-CB 3.01Å; S2-Q5 PolarHBondContact O-N 3.07Å; S2-Q5 PolarHBondContact OG-N 3.46Å; Q5-L7 PolarHBondContact O-N 3.43Å; Q5-S8 WeakPolarHBondContact CA-OG 3.41Å; Q5-S8 PolarHBondContact NE2-OG 2.7Å; Q5-S8 PolarHBondContact O-N 3.09Å; Q5-S8 PolarHBondContact O-OG 3.03Å; Q5-D9 PolarHBondContact NE2-OD1 2.91Å; Q5-D9 WeakPolarHBondContact O-CB 3.47Å; Q5-D9 PolarHBondContact O-N 2.7Å
6	N	70	Confident	67.8	Low	59 Å²	59	53.1 Å²	53.1	32%	0.316	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-33.8	176.2	-65.6	3.3	0	0	0	112.5	M1 S2 F4 A10 F49	M1-N6 WeakPolarHBondContact CB-OD1 3.49Å; S2-N6 PolarHBondContact O-N 3.49Å; F4-N6 VanDerWaalsContact C-N 3.31Å; F4-N6 PolarHBondContact O-N 3.39Å; N6-A10 VanDerWaalsContact O-CB 3.29Å; N6-A10 WeakPolarHBondContact O-CB 3.38Å; N6-A10 PolarHBondContact O-N 2.65Å; N6-F49 HydrophobicContact CB-CZ 4.33Å; N6-F49 VanDerWaalsContact O-CZ 3.23Å; N6-F49 WeakPolarHBondContact O-CZ 3.33Å
7	L	68.1	Low	67.6	Low	2 Å²	2	54.7 Å²	54.7	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-75.9	-38.2	178.7	178.8	70.9	0	0	0	111.8	C3 F4 Q5 A10 L11 H41 L370 F373 F376	C3-L7 WeakPolarHBondContact O-CB 3.42Å; C3-L7 PolarHBondContact O-N 2.73Å; C3-L7 VanDerWaalsContact O-N 3.13Å; F4-L7 PolarHBondContact O-N 3.25Å; F4-L7 VanDerWaalsContact O-N 3.11Å; Q5-L7 PolarHBondContact O-N 3.43Å; L7-A10 PolarHBondContact O-N 3.2Å; L7-L11 PolarHBondContact O-N 3.24Å; L7-L11 VanDerWaalsContact O-N 3.17Å; L7-H41 HydrophobicContact CD1-CB 4.38Å; L7-H41 WeakPolarHBondContact CD1-CD2 3.19Å; L7-H41 WeakPolarHBondContact CD1-NE2 3.34Å; L7-L370 HydrophobicContact CD2-CD2 4.32Å; L7-F373 HydrophobicContact CD2-CD2 4.2Å; L7-F373 HydrophobicContact CD2-CE2 3.33Å; L7-F373 HydrophobicContact CD2-CZ 3.94Å; L7-F376 HydrophobicContact CB-CD2 4.46Å; L7-F376 HydrophobicContact CB-CE2 4.1Å; L7-F376 HydrophobicContact CD1-CZ 4.25Å; L7-F376 HydrophobicContact CD2-CB 4.28Å; L7-F376 HydrophobicContact CD2-CD1 3.58Å; L7-F376 HydrophobicContact CD2-CD2 3.49Å; L7-F376 VanDerWaalsContact CD2-CD2 3.49Å; L7-F376 HydrophobicContact CD2-CE1 3.53Å; L7-F376 HydrophobicContact CD2-CE2 3.45Å; L7-F376 VanDerWaalsContact CD2-CE2 3.45Å; L7-F376 HydrophobicContact CD2-CG 3.49Å; L7-F376 VanDerWaalsContact CD2-CG 3.49Å; L7-F376 HydrophobicContact CD2-CZ 3.4Å; L7-F376 VanDerWaalsContact CD2-CZ 3.4Å; L7-F376 HydrophobicContact CG-CD1 4.49Å; L7-F376 HydrophobicContact CG-CD2 3.98Å; L7-F376 HydrophobicContact CG-CE1 4.02Å; L7-F376 HydrophobicContact CG-CE2 3.44Å; L7-F376 VanDerWaalsContact CG-CE2 3.44Å; L7-F376 HydrophobicContact CG-CG 4.41Å; L7-F376 HydrophobicContact CG-CZ 3.4Å; L7-F376 VanDerWaalsContact CG-CZ 3.4Å
8	S	70.2	Confident	67.5	Low	5 Å²	5	53.1 Å²	53.1	4%	0.035	31%	0.309	C	S	.	.	H	α-helix	trans	-64.5	-45.5	172.6	56	0	0	0	0	111	F4 Q5 A10 L11 D12	F4-S8 PolarHBondContact O-N 3.35Å; F4-S8 PolarHBondContact O-OG 2.95Å; Q5-S8 WeakPolarHBondContact CA-OG 3.41Å; Q5-S8 PolarHBondContact NE2-OG 2.7Å; Q5-S8 PolarHBondContact O-N 3.09Å; Q5-S8 PolarHBondContact O-OG 3.03Å; S8-A10 PolarHBondContact O-N 2.83Å; S8-L11 WeakPolarHBondContact O-CB 3.45Å; S8-L11 PolarHBondContact O-N 2.83Å; S8-L11 VanDerWaalsContact O-N 3.14Å; S8-D12 PolarHBondContact O-N 3.13Å
9	D	74.5	Confident	67	Low	54 Å²	54	57.3 Å²	57.3	29%	0.289	34%	0.335	S	S	.	.	H	α-helix	trans	-61.5	-35.3	177	-58.8	-10.8	0	0	0	110.4	Q5 D12 D13	Q5-D9 PolarHBondContact NE2-OD1 2.91Å; Q5-D9 WeakPolarHBondContact O-CB 3.47Å; Q5-D9 PolarHBondContact O-N 2.7Å; D9-D12 PolarHBondContact O-N 3.23Å; D9-D13 WeakPolarHBondContact O-CB 3.34Å; D9-D13 PolarHBondContact O-N 2.87Å
10	A	69.9	Low	66.5	Low	1 Å²	1	54.9 Å²	54.9	1%	0.008	32%	0.32	C	S	.	.	H	α-helix	trans	-66.6	-36.4	177	0	0	0	0	0	113.3	N6 L7 S8 T14 F49	N6-A10 VanDerWaalsContact O-CB 3.29Å; N6-A10 WeakPolarHBondContact O-CB 3.38Å; N6-A10 PolarHBondContact O-N 2.65Å; L7-A10 PolarHBondContact O-N 3.2Å; S8-A10 PolarHBondContact O-N 2.83Å; A10-T14 WeakPolarHBondContact O-CB 3.31Å; A10-T14 PolarHBondContact O-N 3.15Å; A10-T14 PolarHBondContact O-OG1 2.78Å; A10-F49 HydrophobicContact CB-CD1 3.9Å; A10-F49 HydrophobicContact CB-CE1 3.45Å; A10-F49 VanDerWaalsContact CB-CE1 3.45Å; A10-F49 HydrophobicContact CB-CZ 4.02Å
11	L	70.9	Confident	66.3	Low	0 Å²	0	55 Å²	55	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-67.2	-49.3	173	-81.8	170.2	0	0	0	110.7	L7 S8 D13 T14 F15 V33 L37 F376 W379 W380	L7-L11 PolarHBondContact O-N 3.24Å; L7-L11 VanDerWaalsContact O-N 3.17Å; S8-L11 WeakPolarHBondContact O-CB 3.45Å; S8-L11 PolarHBondContact O-N 2.83Å; S8-L11 VanDerWaalsContact O-N 3.14Å; L11-D13 VanDerWaalsContact C-N 3.27Å; L11-D13 PolarHBondContact O-N 2.85Å; L11-T14 WeakPolarHBondContact O-CB 3.29Å; L11-T14 PolarHBondContact O-N 3.09Å; L11-F15 HydrophobicContact CB-CD2 4.5Å; L11-F15 HydrophobicContact CD2-CE2 3.88Å; L11-F15 WeakPolarHBondContact O-CD2 3.43Å; L11-F15 PolarHBondContact O-N 3Å; L11-V33 HydrophobicContact CD2-CG1 4.44Å; L11-L37 HydrophobicContact CD2-CD1 3.14Å; L11-L37 HydrophobicContact CG-CD1 3.75Å; L11-F376 HydrophobicContact CD1-CE1 4.17Å; L11-F376 HydrophobicContact CD1-CE2 3.97Å; L11-F376 HydrophobicContact CD1-CZ 3.27Å; L11-F376 HydrophobicContact CG-CZ 4.26Å; L11-W379 HydrophobicContact CD1-CH2 4.45Å; L11-W379 HydrophobicContact CD1-CZ3 3.9Å; L11-W380 HydrophobicContact CB-CZ3 4.47Å; L11-W380 HydrophobicContact CD1-CD2 4.09Å; L11-W380 HydrophobicContact CD1-CE3 3.52Å; L11-W380 HydrophobicContact CD1-CH2 3.97Å; L11-W380 HydrophobicContact CD1-CZ2 4.45Å; L11-W380 HydrophobicContact CD1-CZ3 3.47Å; L11-W380 VanDerWaalsContact CD1-CZ3 3.47Å; L11-W380 HydrophobicContact CD2-CH2 4.09Å; L11-W380 HydrophobicContact CD2-CZ2 4.35Å; L11-W380 HydrophobicContact CD2-CZ3 4.4Å; L11-W380 HydrophobicContact CG-CZ3 4.39Å
12	D	72.7	Confident	66.7	Low	64 Å²	64	47.9 Å²	47.9	34%	0.342	29%	0.288	S	S	.	.	H	α-helix	trans	-58.4	-41.6	-179.7	-70.7	-26.1	0	0	0	110.8	S8 D9 S16	S8-D12 PolarHBondContact O-N 3.13Å; D9-D12 PolarHBondContact O-N 3.23Å; D12-S16 VanDerWaalsContact O-CB 3.22Å; D12-S16 WeakPolarHBondContact O-CB 3.23Å; D12-S16 PolarHBondContact O-N 3.12Å; D12-S16 PolarHBondContact O-OG 2.92Å
13	D	72.5	Confident	66.5	Low	85 Å²	85	50.9 Å²	50.9	46%	0.455	30%	0.299	S	S	.	.	H	α-helix	trans	-64.5	-42.1	173.6	-81	-8.4	0	0	0	112.4	D9 L11 S16 A17	D9-D13 WeakPolarHBondContact O-CB 3.34Å; D9-D13 PolarHBondContact O-N 2.87Å; L11-D13 VanDerWaalsContact C-N 3.27Å; L11-D13 PolarHBondContact O-N 2.85Å; D13-S16 PolarHBondContact O-N 2.65Å; D13-A17 VanDerWaalsContact O-CB 3.27Å; D13-A17 WeakPolarHBondContact O-CB 3.38Å; D13-A17 PolarHBondContact O-N 3.16Å
14	T	68.6	Low	66.4	Low	32 Å²	32	51.3 Å²	51.3	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-43	-179.9	-60	0	0	0	0	110.8	A10 L11 T18 L159	A10-T14 WeakPolarHBondContact O-CB 3.31Å; A10-T14 PolarHBondContact O-N 3.15Å; A10-T14 PolarHBondContact O-OG1 2.78Å; L11-T14 WeakPolarHBondContact O-CB 3.29Å; L11-T14 PolarHBondContact O-N 3.09Å; T14-T18 WeakPolarHBondContact O-CB 3.36Å; T14-T18 WeakPolarHBondContact O-CG2 2.95Å; T14-T18 PolarHBondContact O-N 3.2Å; T14-T18 VanDerWaalsContact O-N 3.15Å; T14-T18 PolarHBondContact O-OG1 2.86Å; T14-L159 HydrophobicContact CG2-CD1 3.5Å; T14-L159 VanDerWaalsContact CG2-CD1 3.5Å
15	F	68.2	Low	66	Low	20 Å²	20	49.8 Å²	49.8	9%	0.088	29%	0.291	C	S	.	.	H	α-helix	trans	-73.3	-28.2	175.4	-73	-66.3	0	0	0	112.8	L11 T18 E22 L25 V33 L159 W380	L11-F15 HydrophobicContact CB-CD2 4.5Å; L11-F15 HydrophobicContact CD2-CE2 3.88Å; L11-F15 WeakPolarHBondContact O-CD2 3.43Å; L11-F15 PolarHBondContact O-N 3Å; F15-T18 VanDerWaalsContact O-O 3.1Å; F15-E22 HydrophobicContact CD1-CG 3.94Å; F15-E22 HydrophobicContact CD2-CG 3.89Å; F15-E22 HydrophobicContact CE1-CG 4.09Å; F15-E22 HydrophobicContact CE2-CG 4.07Å; F15-E22 HydrophobicContact CG-CG 3.85Å; F15-E22 HydrophobicContact CZ-CG 4.16Å; F15-L25 HydrophobicContact CE1-CD2 4.02Å; F15-L25 HydrophobicContact CZ-CD2 4.19Å; F15-V33 HydrophobicContact CZ-CG1 4.21Å; F15-L159 HydrophobicContact CE1-CD2 4.29Å; F15-W380 HydrophobicContact CD2-CH2 4.41Å; F15-W380 AromaticContact CE2-CH2 3.55Å; F15-W380 HydrophobicContact CE2-CH2 3.55Å; F15-W380 HydrophobicContact CE2-CZ2 4.16Å; F15-W380 HydrophobicContact CZ-CH2 4.17Å; F15-W380 HydrophobicContact CZ-CZ2 4.41Å
16	S	70.2	Confident	65.5	Low	102 Å²	102	49.5 Å²	49.5	71%	0.713	29%	0.291	S	S	*	.	H	α-helix	trans	-73.2	-34	173.9	-62.1	0	0	0	0	112.8	D12 D13	D12-S16 VanDerWaalsContact O-CB 3.22Å; D12-S16 WeakPolarHBondContact O-CB 3.23Å; D12-S16 PolarHBondContact O-N 3.12Å; D12-S16 PolarHBondContact O-OG 2.92Å; D13-S16 PolarHBondContact O-N 2.65Å
17	A	63.9	Low	64.9	Low	81 Å²	81	50.1 Å²	50.1	67%	0.669	29%	0.29	S	S	*	.	H	α-helix	trans	-81.2	-22.5	179.8	0	0	0	0	0	113.2	D13	D13-A17 VanDerWaalsContact O-CB 3.27Å; D13-A17 WeakPolarHBondContact O-CB 3.38Å; D13-A17 PolarHBondContact O-N 3.16Å
18	T	65.7	Low	64.2	Low	26 Å²	26	52.1 Å²	52.1	16%	0.16	31%	0.306	C	S	.	.	S	Bend	trans	-101.5	150.1	-176.6	59.7	0	0	0	0	110.2	T14 F15 Q20 L159	T14-T18 WeakPolarHBondContact O-CB 3.36Å; T14-T18 WeakPolarHBondContact O-CG2 2.95Å; T14-T18 PolarHBondContact O-N 3.2Å; T14-T18 VanDerWaalsContact O-N 3.15Å; T14-T18 PolarHBondContact O-OG1 2.86Å; F15-T18 VanDerWaalsContact O-O 3.1Å; T18-Q20 PolarHBondContact O-N 3.43Å; T18-L159 HydrophobicContact CG2-CB 3.6Å; T18-L159 HydrophobicContact CG2-CD1 4.18Å; T18-L159 HydrophobicContact CG2-CG 4.38Å
19	V	58.6	Low	63.7	Low	133 Å²	133	52.1 Å²	52.1	81%	0.806	31%	0.307	S	S	*	.	S	Bend	trans	-67.7	-17.5	-177.5	-178.6	0	0	0	0	111.3	S21	V19-S21 PolarHBondContact O-N 2.94Å
20	Q	57.1	Low	63.2	Low	9 Å²	9	49.6 Å²	49.6	4%	0.042	29%	0.293	C	S	.	.			trans	-79.2	116.5	-177.5	-61.6	-53.5	-68.2	0	0	111.8	T18 L159	T18-Q20 PolarHBondContact O-N 3.43Å; Q20-L159 HydrophobicContact CB-CD2 4.45Å; Q20-L159 WeakPolarHBondContact CG-O 3.37Å
21	S	62.1	Low	62.8	Low	58 Å²	58	50.4 Å²	50.4	41%	0.406	30%	0.298	S	S	.	.			trans	-75.5	151	162	63.6	0	0	0	0	110.8	V19 D23 E24	V19-S21 PolarHBondContact O-N 2.94Å; S21-D23 PolarHBondContact O-N 3.32Å; S21-E24 PolarHBondContact O-N 2.88Å; S21-E24 WeakPolarHBondContact OG-CG 3.08Å
22	E	57.5	Low	62.5	Low	42 Å²	42	52.7 Å²	52.7	20%	0.196	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-50.2	-34.1	178.6	-62.1	-177.5	158.8	0	0	112.9	F15 E24 L25 W384	F15-E22 HydrophobicContact CD1-CG 3.94Å; F15-E22 HydrophobicContact CD2-CG 3.89Å; F15-E22 HydrophobicContact CE1-CG 4.09Å; F15-E22 HydrophobicContact CE2-CG 4.07Å; F15-E22 HydrophobicContact CG-CG 3.85Å; F15-E22 HydrophobicContact CZ-CG 4.16Å; E22-E24 VanDerWaalsContact C-N 3.27Å; E22-E24 PolarHBondContact O-N 2.76Å; E22-L25 PolarHBondContact O-N 3.25Å; E22-W384 VanDerWaalsContact O-CH2 3.24Å; E22-W384 WeakPolarHBondContact O-CH2 3.32Å
23	D	58.5	Low	62.3	Low	130 Å²	130	49.7 Å²	49.7	70%	0.695	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-68.7	-17	180	-64.8	-35.6	0	0	0	114.6	S21	S21-D23 PolarHBondContact O-N 3.32Å
24	E	60.8	Low	62.2	Low	55 Å²	55	45.7 Å²	45.7	26%	0.257	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-93.3	-10.7	179.9	-53.7	-152.5	122.1	0	0	113.4	S21 E22 D26 K168	S21-E24 PolarHBondContact O-N 2.88Å; S21-E24 WeakPolarHBondContact OG-CG 3.08Å; E22-E24 VanDerWaalsContact C-N 3.27Å; E22-E24 PolarHBondContact O-N 2.76Å; E24-D26 PolarHBondContact O-N 2.95Å; E24-K168 IonicContact OE1-NZ 2.77Å; E24-K168 PolarHBondContact OE1-NZ 3.34Å
25	L	56.8	Low	62.2	Low	13 Å²	13	44.1 Å²	44.1	7%	0.068	26%	0.263	C	S	.	.			trans	-89.6	115.5	-168.9	-161.7	66	0	0	0	110.5	F15 E22 A30 V33 W384	F15-L25 HydrophobicContact CE1-CD2 4.02Å; F15-L25 HydrophobicContact CZ-CD2 4.19Å; E22-L25 PolarHBondContact O-N 3.25Å; L25-A30 HydrophobicContact CD2-CB 3.68Å; L25-A30 HydrophobicContact CG-CB 4.04Å; L25-V33 HydrophobicContact CD2-CG2 3.87Å; L25-W384 HydrophobicContact CB-CH2 4.27Å; L25-W384 WeakPolarHBondContact O-CZ2 3.27Å
26	D	59	Low	62.2	Low	68 Å²	68	43.3 Å²	43.3	36%	0.364	26%	0.26	S	S	.	.			trans	-54.5	150.4	172.8	-69.3	-34.4	0	0	0	111.1	E24 A28 S29 A30	E24-D26 PolarHBondContact O-N 2.95Å; D26-A28 PolarHBondContact O-N 2.83Å; D26-A28 VanDerWaalsContact O-N 3.1Å; D26-S29 WeakPolarHBondContact O-CA 3.13Å; D26-S29 WeakPolarHBondContact O-CB 3.38Å; D26-S29 PolarHBondContact O-N 3.45Å; D26-A30 PolarHBondContact O-N 2.73Å
27	Y	56.5	Low	62.3	Low	72 Å²	72	38.9 Å²	38.9	28%	0.282	23%	0.228	S	C	.	.	H	α-helix	trans	-48.9	-44.2	178.9	-61.6	-56.9	0	0	0	112.8	S29 T31 L208 W384 T387	Y27-S29 VanDerWaalsContact C-N 3.31Å; Y27-S29 PolarHBondContact O-N 2.79Å; Y27-T31 VanDerWaalsContact O-CB 3.29Å; Y27-T31 WeakPolarHBondContact O-CB 3.25Å; Y27-T31 PolarHBondContact O-N 2.93Å; Y27-T31 PolarHBondContact O-OG1 2.94Å; Y27-L208 HydrophobicContact CD1-CB 3.5Å; Y27-L208 HydrophobicContact CE1-CB 4.26Å; Y27-L208 HydrophobicContact CG-CB 4.26Å; Y27-W384 AromaticContact CE1-NE1 3.56Å; Y27-T387 PolarHBondContact OH-OG1 3.16Å
28	A	55	Low	62.6	Low	44 Å²	44	35 Å²	35	36%	0.364	20%	0.197	S	C	.	.	H	α-helix	trans	-62.8	-36.8	178.5	0	0	0	0	0	112.7	D26 T31 L32 L259	D26-A28 PolarHBondContact O-N 2.83Å; D26-A28 VanDerWaalsContact O-N 3.1Å; A28-T31 WeakPolarHBondContact O-CB 3.21Å; A28-L32 WeakPolarHBondContact O-CG 3.44Å; A28-L32 PolarHBondContact O-N 2.91Å; A28-L259 HydrophobicContact CB-CD2 4.48Å
29	S	59.3	Low	62.9	Low	6 Å²	6	35.6 Å²	35.6	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-76.6	-43.3	-178.1	-52.8	0	0	0	0	111.2	D26 Y27 T31 L32 V33 R167	D26-S29 WeakPolarHBondContact O-CA 3.13Å; D26-S29 WeakPolarHBondContact O-CB 3.38Å; D26-S29 PolarHBondContact O-N 3.45Å; Y27-S29 VanDerWaalsContact C-N 3.31Å; Y27-S29 PolarHBondContact O-N 2.79Å; S29-T31 PolarHBondContact O-N 3.3Å; S29-L32 WeakPolarHBondContact O-CB 3.39Å; S29-L32 PolarHBondContact O-N 2.78Å; S29-V33 WeakPolarHBondContact O-CG2 3.28Å; S29-V33 PolarHBondContact O-N 3.22Å; S29-R167 PolarHBondContact OG-NH1 3.03Å; S29-R167 VanDerWaalsContact OG-NH1 3.11Å
30	A	64.4	Low	63.4	Low	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61	-37	174.4	0	0	0	0	0	112.1	L25 D26 L32 V33 L34 L208 W384	L25-A30 HydrophobicContact CD2-CB 3.68Å; L25-A30 HydrophobicContact CG-CB 4.04Å; D26-A30 PolarHBondContact O-N 2.73Å; A30-L32 PolarHBondContact O-N 3.13Å; A30-V33 PolarHBondContact O-N 3.08Å; A30-L34 PolarHBondContact O-N 3.42Å; A30-L34 VanDerWaalsContact O-N 3.1Å; A30-L208 HydrophobicContact CB-CD2 3.49Å; A30-L208 VanDerWaalsContact CB-CD2 3.49Å; A30-W384 HydrophobicContact CB-CH2 3.57Å; A30-W384 HydrophobicContact CB-CZ2 4.34Å; A30-W384 HydrophobicContact CB-CZ3 3.79Å
31	T	60.4	Low	64	Low	19 Å²	19	29.1 Å²	29.1	12%	0.117	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-44.2	173.2	-57.5	0	0	0	0	111.4	Y27 A28 S29 A35 L208 W248	Y27-T31 VanDerWaalsContact O-CB 3.29Å; Y27-T31 WeakPolarHBondContact O-CB 3.25Å; Y27-T31 PolarHBondContact O-N 2.93Å; Y27-T31 PolarHBondContact O-OG1 2.94Å; A28-T31 WeakPolarHBondContact O-CB 3.21Å; S29-T31 PolarHBondContact O-N 3.3Å; T31-A35 PolarHBondContact O-N 3.49Å; T31-L208 WeakPolarHBondContact OG1-CD1 3.5Å; T31-W248 HydrophobicContact CG2-CZ2 3.71Å; T31-W248 WeakPolarHBondContact O-CZ2 3.49Å; T31-W248 PolarHBondContact O-NE1 2.63Å
32	L	64.5	Low	64.2	Low	48 Å²	48	26.9 Å²	26.9	25%	0.251	14%	0.143	S	C	.	.	H	α-helix	trans	-66.6	-43.6	178.3	-75.5	163.9	0	0	0	112.4	A28 S29 A30 L34 A35 G36 L151 I154 V155 L158 W248	A28-L32 WeakPolarHBondContact O-CG 3.44Å; A28-L32 PolarHBondContact O-N 2.91Å; S29-L32 WeakPolarHBondContact O-CB 3.39Å; S29-L32 PolarHBondContact O-N 2.78Å; A30-L32 PolarHBondContact O-N 3.13Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 3.39Å; L32-A35 PolarHBondContact O-N 3.31Å; L32-G36 PolarHBondContact O-N 3.4Å; L32-L151 HydrophobicContact CD2-CD1 3.94Å; L32-I154 HydrophobicContact CD1-CG2 4.36Å; L32-V155 HydrophobicContact CB-CG2 4.38Å; L32-V155 WeakPolarHBondContact O-CG2 3.48Å; L32-L158 HydrophobicContact CB-CD1 4.02Å; L32-L158 HydrophobicContact CD1-CD1 3.67Å; L32-L158 HydrophobicContact CG-CD1 4.49Å; L32-W248 HydrophobicContact CD2-CH2 3.7Å; L32-W248 HydrophobicContact CD2-CZ2 4.09Å; L32-W248 HydrophobicContact CG-CZ2 4.45Å
33	V	68.8	Low	64.7	Low	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-56.8	-49.8	177.5	174.4	0	0	0	0	110.4	L11 F15 L25 S29 A30 A35 G36 L37 V155 L159	L11-V33 HydrophobicContact CD2-CG1 4.44Å; F15-V33 HydrophobicContact CZ-CG1 4.21Å; L25-V33 HydrophobicContact CD2-CG2 3.87Å; S29-V33 WeakPolarHBondContact O-CG2 3.28Å; S29-V33 PolarHBondContact O-N 3.22Å; A30-V33 PolarHBondContact O-N 3.08Å; V33-A35 VanDerWaalsContact C-N 3.33Å; V33-A35 PolarHBondContact O-N 2.98Å; V33-G36 PolarHBondContact O-N 3.42Å; V33-L37 HydrophobicContact CG1-CD1 4.11Å; V33-L37 PolarHBondContact O-N 2.89Å; V33-V155 HydrophobicContact CB-CG1 4.29Å; V33-V155 HydrophobicContact CG1-CG1 4.34Å; V33-V155 HydrophobicContact CG2-CG1 4.04Å; V33-L159 HydrophobicContact CG1-CD1 4.4Å; V33-L159 HydrophobicContact CG2-CD1 4.19Å; V33-L159 HydrophobicContact CG2-CD2 3.87Å; V33-L159 HydrophobicContact CG2-CG 4.07Å
34	L	70.8	Confident	65.2	Low	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-58	-44.9	178.4	172.9	60	0	0	0	112.2	A30 L32 L37 L38 L212 F373 F376 L377	A30-L34 PolarHBondContact O-N 3.42Å; A30-L34 VanDerWaalsContact O-N 3.1Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 3.39Å; L34-L37 PolarHBondContact O-N 3.33Å; L34-L38 HydrophobicContact CD1-CD1 4.38Å; L34-L38 HydrophobicContact CG-CD1 4.22Å; L34-L38 VanDerWaalsContact O-CB 3.31Å; L34-L38 WeakPolarHBondContact O-CB 3.38Å; L34-L38 PolarHBondContact O-N 2.82Å; L34-L212 HydrophobicContact CD2-CD2 3.38Å; L34-F373 HydrophobicContact CD1-CZ 4.39Å; L34-F376 HydrophobicContact CD1-CD1 4.31Å; L34-F376 HydrophobicContact CD1-CE1 3.48Å; L34-F376 VanDerWaalsContact CD1-CE1 3.48Å; L34-F376 HydrophobicContact CD1-CZ 4.37Å; L34-L377 HydrophobicContact CD2-CD2 3.86Å
35	A	67.2	Low	65.3	Low	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67.7	-38.2	179.5	0	0	0	0	0	113.4	T31 L32 V33 L37 L38 Q39 L151 W248	T31-A35 PolarHBondContact O-N 3.49Å; L32-A35 PolarHBondContact O-N 3.31Å; V33-A35 VanDerWaalsContact C-N 3.33Å; V33-A35 PolarHBondContact O-N 2.98Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-L37 PolarHBondContact O-N 3.47Å; A35-L38 WeakPolarHBondContact O-CB 3.36Å; A35-L38 PolarHBondContact O-N 3.39Å; A35-Q39 WeakPolarHBondContact O-CB 3.32Å; A35-Q39 PolarHBondContact O-N 2.86Å; A35-L151 HydrophobicContact CB-CD2 3.88Å; A35-W248 HydrophobicContact CB-CD2 3.42Å; A35-W248 VanDerWaalsContact CB-CD2 3.42Å; A35-W248 HydrophobicContact CB-CE3 3.52Å; A35-W248 HydrophobicContact CB-CG 4.22Å; A35-W248 HydrophobicContact CB-CH2 3.42Å; A35-W248 VanDerWaalsContact CB-CH2 3.42Å; A35-W248 HydrophobicContact CB-CZ2 3.27Å; A35-W248 HydrophobicContact CB-CZ3 3.52Å
36	G	69.8	Low	65.9	Low	2 Å²	2	28.5 Å²	28.5	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-57.5	-47.9	173.4	0	0	0	0	0	111.2	L32 V33 Q39 I40	L32-G36 PolarHBondContact O-N 3.4Å; V33-G36 PolarHBondContact O-N 3.42Å; G36-Q39 PolarHBondContact O-N 3.45Å; G36-I40 WeakPolarHBondContact O-CD1 3.24Å; G36-I40 WeakPolarHBondContact O-CG1 3.5Å; G36-I40 PolarHBondContact O-N 3.18Å
37	L	71.6	Confident	66.5	Low	9 Å²	9	28.3 Å²	28.3	5%	0.047	14%	0.135	C	C	.	.	H	α-helix	trans	-65.7	-44.3	178	-70.7	168.6	0	0	0	112	L11 V33 L34 A35 Q39 I40 H41	L11-L37 HydrophobicContact CD2-CD1 3.14Å; L11-L37 HydrophobicContact CG-CD1 3.75Å; V33-L37 HydrophobicContact CG1-CD1 4.11Å; V33-L37 PolarHBondContact O-N 2.89Å; L34-L37 PolarHBondContact O-N 3.33Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-L37 PolarHBondContact O-N 3.47Å; L37-Q39 VanDerWaalsContact C-N 3.32Å; L37-Q39 PolarHBondContact O-N 3.13Å; L37-I40 PolarHBondContact O-N 3.03Å; L37-I40 VanDerWaalsContact O-N 3.15Å; L37-H41 WeakPolarHBondContact O-CB 3.35Å; L37-H41 PolarHBondContact O-CD2 2.78Å; L37-H41 VanDerWaalsContact O-CD2 3.23Å; L37-H41 PolarHBondContact O-N 3Å
38	L	70.6	Confident	67	Low	1 Å²	1	25.1 Å²	25.1	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-51.7	-49.3	173	-103.6	167.8	0	0	0	113	L34 A35 I40 H41 S42 V244 L245 F373	L34-L38 HydrophobicContact CD1-CD1 4.38Å; L34-L38 HydrophobicContact CG-CD1 4.22Å; L34-L38 VanDerWaalsContact O-CB 3.31Å; L34-L38 WeakPolarHBondContact O-CB 3.38Å; L34-L38 PolarHBondContact O-N 2.82Å; A35-L38 WeakPolarHBondContact O-CB 3.36Å; A35-L38 PolarHBondContact O-N 3.39Å; L38-I40 VanDerWaalsContact C-N 3.31Å; L38-I40 PolarHBondContact O-N 3.17Å; L38-H41 PolarHBondContact O-N 3.25Å; L38-S42 WeakPolarHBondContact O-CB 3.4Å; L38-S42 PolarHBondContact O-N 3.1Å; L38-S42 PolarHBondContact O-OG 3.39Å; L38-V244 HydrophobicContact CD1-CG1 3.73Å; L38-V244 HydrophobicContact CD2-CG1 4.38Å; L38-L245 HydrophobicContact CB-CD2 3.82Å; L38-L245 HydrophobicContact CB-CG 4.44Å; L38-F373 HydrophobicContact CD1-CE1 3.56Å; L38-F373 HydrophobicContact CD1-CE2 4.44Å; L38-F373 HydrophobicContact CD1-CZ 3.56Å; L38-F373 HydrophobicContact CD2-CD1 3.93Å; L38-F373 HydrophobicContact CD2-CD2 3.58Å; L38-F373 HydrophobicContact CD2-CE1 3.47Å; L38-F373 VanDerWaalsContact CD2-CE1 3.47Å; L38-F373 HydrophobicContact CD2-CE2 3.04Å; L38-F373 HydrophobicContact CD2-CG 4.01Å; L38-F373 HydrophobicContact CD2-CZ 3.04Å; L38-F373 HydrophobicContact CG-CE1 3.69Å; L38-F373 HydrophobicContact CG-CE2 3.64Å; L38-F373 HydrophobicContact CG-CZ 3.15Å
39	Q	71.2	Confident	67.8	Low	38 Å²	38	25.1 Å²	25.1	18%	0.178	12%	0.115	C	C	.	.	H	α-helix	trans	-64.9	-36.7	179.9	179.9	173.3	-8.2	0	0	112	A35 G36 L37 S42 R43 A103 L151 L245	A35-Q39 WeakPolarHBondContact O-CB 3.32Å; A35-Q39 PolarHBondContact O-N 2.86Å; G36-Q39 PolarHBondContact O-N 3.45Å; L37-Q39 VanDerWaalsContact C-N 3.32Å; L37-Q39 PolarHBondContact O-N 3.13Å; Q39-S42 PolarHBondContact O-OG 3.29Å; Q39-R43 WeakPolarHBondContact O-CG 3.26Å; Q39-R43 PolarHBondContact O-N 3.24Å; Q39-A103 PolarHBondContact NE2-O 3.17Å; Q39-L151 HydrophobicContact CB-CD2 4.48Å; Q39-L245 HydrophobicContact CB-CD2 4.25Å
40	I	69.9	Low	68.5	Low	3 Å²	3	28.4 Å²	28.4	2%	0.015	13%	0.129	C	C	.	.	H	α-helix	trans	-71.6	-44.6	177.9	-68.5	162.7	0	0	0	110.6	G36 L37 L38 R43 T44 A48 P102 A103 Y152	G36-I40 WeakPolarHBondContact O-CD1 3.24Å; G36-I40 WeakPolarHBondContact O-CG1 3.5Å; G36-I40 PolarHBondContact O-N 3.18Å; L37-I40 PolarHBondContact O-N 3.03Å; L37-I40 VanDerWaalsContact O-N 3.15Å; L38-I40 VanDerWaalsContact C-N 3.31Å; L38-I40 PolarHBondContact O-N 3.17Å; I40-R43 PolarHBondContact O-N 3.19Å; I40-T44 CarbonylContact O-C 3.48Å; I40-T44 PolarHBondContact O-N 2.96Å; I40-A48 HydrophobicContact CG2-CB 3.82Å; I40-P102 HydrophobicContact CG1-CG 4.36Å; I40-P102 HydrophobicContact CG2-CB 4.07Å; I40-P102 HydrophobicContact CG2-CG 4.1Å; I40-A103 HydrophobicContact CD1-CB 4.38Å; I40-A103 HydrophobicContact CG1-CB 3.8Å; I40-Y152 HydrophobicContact CD1-CD2 3.78Å
41	H	70.1	Confident	69.1	Low	3 Å²	3	33.6 Å²	33.6	1%	0.014	15%	0.153	C	C	.	.	H	α-helix	trans	-69	-32	179.9	-84.2	-87.6	0	0	0	113.3	L7 L37 L38 R43 P45 A48 L370	L7-H41 HydrophobicContact CD1-CB 4.38Å; L7-H41 WeakPolarHBondContact CD1-CD2 3.19Å; L7-H41 WeakPolarHBondContact CD1-NE2 3.34Å; L37-H41 WeakPolarHBondContact O-CB 3.35Å; L37-H41 PolarHBondContact O-CD2 2.78Å; L37-H41 VanDerWaalsContact O-CD2 3.23Å; L37-H41 PolarHBondContact O-N 3Å; L38-H41 PolarHBondContact O-N 3.25Å; H41-R43 VanDerWaalsContact C-N 3.33Å; H41-P45 WeakPolarHBondContact O-CD 3.41Å; H41-A48 WeakPolarHBondContact NE2-CB 3.43Å; H41-L370 HydrophobicContact CB-CD1 4.17Å; H41-L370 HydrophobicContact CB-CD2 4.06Å
42	S	66.4	Low	70	Confident	11 Å²	11	34 Å²	34	8%	0.077	16%	0.159	C	C	.	.	H	α-helix	trans	-69.2	-32.7	175.2	61.9	0	0	0	0	112.6	L38 Q39 D241	L38-S42 WeakPolarHBondContact O-CB 3.4Å; L38-S42 PolarHBondContact O-N 3.1Å; L38-S42 PolarHBondContact O-OG 3.39Å; Q39-S42 PolarHBondContact O-OG 3.29Å; S42-D241 WeakPolarHBondContact CB-OD2 3.47Å
43	R	67.4	Low	70.8	Confident	22 Å²	22	32 Å²	32	8%	0.083	15%	0.148	C	C	.	.	H	α-helix	trans	-89.3	-54.4	-178.4	-66.7	-179.3	177.7	-152.8	-4	112.7	Q39 I40 H41 P102 A103 C104 M365	Q39-R43 WeakPolarHBondContact O-CG 3.26Å; Q39-R43 PolarHBondContact O-N 3.24Å; I40-R43 PolarHBondContact O-N 3.19Å; H41-R43 VanDerWaalsContact C-N 3.33Å; R43-P102 WeakPolarHBondContact CD-O 3.47Å; R43-A103 VanDerWaalsContact CZ-O 3.25Å; R43-A103 PolarHBondContact NH1-O 3.33Å; R43-C104 PolarHBondContact NH1-O 3.48Å; R43-M365 HydrophobicContact CB-SD 4.33Å; R43-M365 HydrophobicContact CG-SD 4.18Å
44	T	68	Low	71.3	Confident	21 Å²	21	34 Å²	34	13%	0.129	16%	0.159	C	C	.	.			trans	-147.5	73.8	-170	48.6	0	0	0	0	111.6	I40 R46 Y47 P102	I40-T44 CarbonylContact O-C 3.48Å; I40-T44 PolarHBondContact O-N 2.96Å; T44-R46 PolarHBondContact O-N 3.26Å; T44-Y47 PolarHBondContact O-N 3.16Å; T44-P102 WeakPolarHBondContact OG1-CA 3.24Å; T44-P102 WeakPolarHBondContact OG1-CB 3.4Å
45	P	64.5	Low	71.9	Confident	28 Å²	28	37.6 Å²	37.6	18%	0.182	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-64.9	-17.4	-176.1	26.8	-33.8	0	0	0	113.6	H41 Y47 I368	H41-P45 WeakPolarHBondContact O-CD 3.41Å; P45-Y47 VanDerWaalsContact C-N 3.3Å; P45-I368 HydrophobicContact CG-CB 4.26Å; P45-I368 HydrophobicContact CG-CD1 3.24Å; P45-I368 HydrophobicContact CG-CG1 4.32Å; P45-I368 HydrophobicContact CG-CG2 4.24Å
46	R	69	Low	72.5	Confident	202 Å²	202	38.8 Å²	38.8	76%	0.762	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-66.1	-31.5	174.8	-73.1	-174.9	170	-173.9	-5.1	113	T44 A52	T44-R46 PolarHBondContact O-N 3.26Å; R46-A52 VanDerWaalsContact O-CB 3.3Å; R46-A52 WeakPolarHBondContact O-CB 3.37Å
47	Y	71.8	Confident	73.1	Confident	65 Å²	65	39.4 Å²	39.4	26%	0.255	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-112.9	24.4	-176	-54.6	-61.6	0	0	0	111.5	T44 P45 R53 F91	T44-Y47 PolarHBondContact O-N 3.16Å; P45-Y47 VanDerWaalsContact C-N 3.3Å; Y47-R53 WeakPolarHBondContact O-CG 3.45Å; Y47-R53 PolarHBondContact O-NE 3.11Å; Y47-R53 PolarHBondContact O-NH2 2.89Å; Y47-F91 HydrophobicContact CD1-CB 3.98Å; Y47-F91 HydrophobicContact CD1-CD2 4.09Å; Y47-F91 HydrophobicContact CD1-CG 4.02Å; Y47-F91 HydrophobicContact CD2-CB 4.48Å; Y47-F91 AromaticContact CD2-CD1 3.81Å; Y47-F91 HydrophobicContact CD2-CD1 3.81Å; Y47-F91 AromaticContact CD2-CD2 3.48Å; Y47-F91 HydrophobicContact CD2-CD2 3.48Å; Y47-F91 VanDerWaalsContact CD2-CD2 3.48Å; Y47-F91 AromaticContact CD2-CE1 3.82Å; Y47-F91 HydrophobicContact CD2-CE1 3.82Å; Y47-F91 AromaticContact CD2-CE2 3.5Å; Y47-F91 HydrophobicContact CD2-CE2 3.5Å; Y47-F91 AromaticContact CD2-CG 3.65Å; Y47-F91 HydrophobicContact CD2-CG 3.65Å; Y47-F91 AromaticContact CD2-CZ 3.67Å; Y47-F91 HydrophobicContact CD2-CZ 3.67Å; Y47-F91 HydrophobicContact CE1-CD2 4.08Å; Y47-F91 HydrophobicContact CE1-CG 4.46Å; Y47-F91 AromaticContact CE2-CD2 3.44Å; Y47-F91 HydrophobicContact CE2-CD2 3.44Å; Y47-F91 VanDerWaalsContact CE2-CD2 3.44Å; Y47-F91 HydrophobicContact CE2-CE1 4.47Å; Y47-F91 AromaticContact CE2-CE2 3.32Å; Y47-F91 HydrophobicContact CE2-CE2 3.32Å; Y47-F91 HydrophobicContact CE2-CG 4.11Å; Y47-F91 AromaticContact CE2-CZ 3.88Å; Y47-F91 HydrophobicContact CE2-CZ 3.88Å; Y47-F91 HydrophobicContact CG-CB 3.95Å; Y47-F91 AromaticContact CG-CD1 3.88Å; Y47-F91 HydrophobicContact CG-CD1 3.88Å; Y47-F91 AromaticContact CG-CD2 3.81Å; Y47-F91 HydrophobicContact CG-CD2 3.81Å; Y47-F91 HydrophobicContact CG-CE1 4.34Å; Y47-F91 HydrophobicContact CG-CE2 4.29Å; Y47-F91 AromaticContact CG-CG 3.6Å; Y47-F91 HydrophobicContact CG-CG 3.6Å; Y47-F91 AromaticContact CZ-CD2 3.75Å
48	A	67	Low	73.3	Confident	4 Å²	4	43.4 Å²	43.4	3%	0.033	22%	0.215	C	C	.	.			trans	-67.9	-43.3	177.9	0	0	0	0	0	112	I40 H41 R53	I40-A48 HydrophobicContact CG2-CB 3.82Å; H41-A48 WeakPolarHBondContact NE2-CB 3.43Å; A48-R53 PolarHBondContact O-NH2 3.12Å
49	F	70.9	Confident	73.2	Confident	44 Å²	44	50.5 Å²	50.5	19%	0.193	25%	0.246	C	C	.	.	S	Bend	trans	-76.5	141	-179.9	-49.7	-88.3	0	0	0	111.8	N6 A10 Q51 A52 R53	N6-F49 HydrophobicContact CB-CZ 4.33Å; N6-F49 VanDerWaalsContact O-CZ 3.23Å; N6-F49 WeakPolarHBondContact O-CZ 3.33Å; A10-F49 HydrophobicContact CB-CD1 3.9Å; A10-F49 HydrophobicContact CB-CE1 3.45Å; A10-F49 VanDerWaalsContact CB-CE1 3.45Å; A10-F49 HydrophobicContact CB-CZ 4.02Å; F49-Q51 VanDerWaalsContact C-N 3.29Å; F49-Q51 PolarHBondContact O-N 3.05Å; F49-A52 HydrophobicContact CB-CB 3.93Å; F49-A52 HydrophobicContact CD2-CB 4.28Å; F49-A52 PolarHBondContact O-N 3.02Å; F49-A52 VanDerWaalsContact O-N 3.17Å; F49-R53 WeakPolarHBondContact O-CG 3.25Å; F49-R53 PolarHBondContact O-N 3.01Å; F49-R53 VanDerWaalsContact O-N 3.11Å
50	H	74.4	Confident	72.7	Confident	76 Å²	76	54.5 Å²	54.5	35%	0.352	27%	0.272	S	S	.	.	H	α-helix	trans	-56	-45.1	171.7	177.6	-105.3	0	0	0	111.5	A52 R53 L54	H50-A52 VanDerWaalsContact C-N 3.32Å; H50-A52 PolarHBondContact O-N 3.06Å; H50-R53 WeakPolarHBondContact O-CB 3.43Å; H50-R53 PolarHBondContact O-N 2.97Å; H50-R53 VanDerWaalsContact O-N 3.1Å; H50-L54 VanDerWaalsContact CE1-CD1 3.45Å; H50-L54 WeakPolarHBondContact CE1-CD1 3.45Å; H50-L54 PolarHBondContact O-N 2.72Å
51	Q	77	Confident	71.6	Confident	108 Å²	108	61.6 Å²	61.6	51%	0.505	31%	0.308	S	S	.	.	H	α-helix	trans	-60.3	-40.6	177.4	-173.6	58.6	34	0	0	112.4	F49 R53 L54 D55	F49-Q51 VanDerWaalsContact C-N 3.29Å; F49-Q51 PolarHBondContact O-N 3.05Å; Q51-R53 VanDerWaalsContact C-N 3.29Å; Q51-R53 PolarHBondContact O-N 3.26Å; Q51-L54 WeakPolarHBondContact O-CB 3.46Å; Q51-L54 PolarHBondContact O-N 3.23Å; Q51-D55 PolarHBondContact NE2-OD2 3.45Å; Q51-D55 WeakPolarHBondContact O-CB 3.39Å; Q51-D55 PolarHBondContact O-N 3.2Å
52	A	78.8	Confident	70.4	Confident	27 Å²	27	69.4 Å²	69.4	22%	0.223	35%	0.345	C	S	.	.	H	α-helix	trans	-67	-30.6	177.3	0	0	0	0	0	112.7	R46 F49 H50 S56	R46-A52 VanDerWaalsContact O-CB 3.3Å; R46-A52 WeakPolarHBondContact O-CB 3.37Å; F49-A52 HydrophobicContact CB-CB 3.93Å; F49-A52 HydrophobicContact CD2-CB 4.28Å; F49-A52 PolarHBondContact O-N 3.02Å; F49-A52 VanDerWaalsContact O-N 3.17Å; H50-A52 VanDerWaalsContact C-N 3.32Å; H50-A52 PolarHBondContact O-N 3.06Å; A52-S56 PolarHBondContact O-N 3.28Å
53	R	81.2	Confident	69.3	Low	7 Å²	7	73 Å²	73	3%	0.026	37%	0.37	C	S	.	.	H	α-helix	trans	-69.8	-44.1	170.7	-59.7	-175.4	-159.3	133.5	6.2	110.9	Y47 A48 F49 H50 Q51 D55 S56 F57 A86 F91 Y152	Y47-R53 WeakPolarHBondContact O-CG 3.45Å; Y47-R53 PolarHBondContact O-NE 3.11Å; Y47-R53 PolarHBondContact O-NH2 2.89Å; A48-R53 PolarHBondContact O-NH2 3.12Å; F49-R53 WeakPolarHBondContact O-CG 3.25Å; F49-R53 PolarHBondContact O-N 3.01Å; F49-R53 VanDerWaalsContact O-N 3.11Å; H50-R53 WeakPolarHBondContact O-CB 3.43Å; H50-R53 PolarHBondContact O-N 2.97Å; H50-R53 VanDerWaalsContact O-N 3.1Å; Q51-R53 VanDerWaalsContact C-N 3.29Å; Q51-R53 PolarHBondContact O-N 3.26Å; R53-D55 VanDerWaalsContact C-N 3.3Å; R53-D55 PolarHBondContact O-N 2.99Å; R53-S56 WeakPolarHBondContact O-CB 3.49Å; R53-S56 PolarHBondContact O-N 3.41Å; R53-S56 VanDerWaalsContact O-N 3.09Å; R53-S56 PolarHBondContact O-OG 3.35Å; R53-F57 WeakPolarHBondContact O-CD2 3.12Å; R53-F57 WeakPolarHBondContact O-CE2 3.48Å; R53-A86 HydrophobicContact CB-CB 4.09Å; R53-F91 HydrophobicContact CB-CB 4.23Å; R53-F91 HydrophobicContact CG-CB 4.06Å; R53-Y152 VanDerWaalsContact NH1-CZ 3.33Å; R53-Y152 PolarHBondContact NH1-OH 3.14Å
54	L	80.2	Confident	68	Low	43 Å²	43	81.6 Å²	81.6	23%	0.225	41%	0.408	C	S	.	.	H	α-helix	trans	-58.4	-42.8	174.9	-70.7	176.2	0	0	0	112.2	H50 Q51 S56 F57 A86	H50-L54 VanDerWaalsContact CE1-CD1 3.45Å; H50-L54 WeakPolarHBondContact CE1-CD1 3.45Å; H50-L54 PolarHBondContact O-N 2.72Å; Q51-L54 WeakPolarHBondContact O-CB 3.46Å; Q51-L54 PolarHBondContact O-N 3.23Å; L54-S56 PolarHBondContact O-N 3.02Å; L54-F57 PolarHBondContact O-N 3.26Å; L54-A86 HydrophobicContact CD2-CB 3.44Å; L54-A86 VanDerWaalsContact CD2-CB 3.44Å; L54-A86 HydrophobicContact CG-CB 3.88Å
55	D	82.3	Confident	66.8	Low	75 Å²	75	87.4 Å²	87.4	40%	0.401	44%	0.438	S	S	.	.	H	α-helix	trans	-69.6	-15.6	178.8	-75	-42.1	0	0	0	113.5	Q51 R53 F57 K59	Q51-D55 PolarHBondContact NE2-OD2 3.45Å; Q51-D55 WeakPolarHBondContact O-CB 3.39Å; Q51-D55 PolarHBondContact O-N 3.2Å; R53-D55 VanDerWaalsContact C-N 3.3Å; R53-D55 PolarHBondContact O-N 2.99Å; D55-F57 VanDerWaalsContact C-N 3.34Å; D55-K59 WeakPolarHBondContact OD1-CE 3.13Å; D55-K59 IonicContact OD1-NZ 3.15Å; D55-K59 PolarHBondContact OD1-NZ 2.8Å
56	S	79.7	Confident	65.7	Low	26 Å²	26	90.6 Å²	90.6	18%	0.182	46%	0.461	C	S	.	.	H	α-helix	trans	-73	-26.8	174	75.2	0	0	0	0	112.8	A52 R53 L54 H92	A52-S56 PolarHBondContact O-N 3.28Å; R53-S56 WeakPolarHBondContact O-CB 3.49Å; R53-S56 PolarHBondContact O-N 3.41Å; R53-S56 VanDerWaalsContact O-N 3.09Å; R53-S56 PolarHBondContact O-OG 3.35Å; L54-S56 PolarHBondContact O-N 3.02Å; S56-H92 PolarHBondContact OG-N 3.26Å
57	F	83.2	Confident	64.2	Low	15 Å²	15	85.9 Å²	85.9	7%	0.066	47%	0.465	C	S	.	.	S	Bend	trans	-75.6	145.2	-179.1	-68.9	-84.1	0	0	0	111.4	R53 L54 D55 K59 P82 L85 A86 H92 T99	R53-F57 WeakPolarHBondContact O-CD2 3.12Å; R53-F57 WeakPolarHBondContact O-CE2 3.48Å; L54-F57 PolarHBondContact O-N 3.26Å; D55-F57 VanDerWaalsContact C-N 3.34Å; F57-K59 PolarHBondContact O-N 2.94Å; F57-K59 VanDerWaalsContact O-N 3.1Å; F57-P82 HydrophobicContact CB-CB 3.8Å; F57-P82 HydrophobicContact CB-CG 4.14Å; F57-P82 HydrophobicContact CD1-CB 4.22Å; F57-P82 HydrophobicContact CD2-CB 3.95Å; F57-P82 HydrophobicContact CG-CB 3.72Å; F57-P82 HydrophobicContact CG-CG 4.34Å; F57-L85 HydrophobicContact CD1-CD1 4.48Å; F57-L85 HydrophobicContact CE1-CB 4.01Å; F57-L85 HydrophobicContact CE1-CD1 3.63Å; F57-L85 HydrophobicContact CE1-CG 4.47Å; F57-L85 HydrophobicContact CE2-CB 4.3Å; F57-L85 HydrophobicContact CZ-CB 3.53Å; F57-L85 HydrophobicContact CZ-CD1 4.08Å; F57-L85 HydrophobicContact CZ-CG 4.44Å; F57-A86 HydrophobicContact CE2-CB 4.26Å; F57-H92 HydrophobicContact CD1-CB 3.73Å; F57-H92 HydrophobicContact CE1-CB 3.84Å; F57-H92 HydrophobicContact CG-CB 4.15Å; F57-H92 HydrophobicContact CZ-CB 4.36Å; F57-T99 HydrophobicContact CE1-CG2 3.94Å; F57-T99 HydrophobicContact CZ-CG2 4.33Å
58	P	75.8	Confident	62.6	Low	93 Å²	93	89.8 Å²	89.8	60%	0.604	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-60.2	117.9	177	24.1	-32.6	0	0	0	110	V60	P58-V60 PolarHBondContact O-N 2.89Å
59	K	68.4	Low	61.2	Low	150 Å²	150	96.4 Å²	96.4	65%	0.652	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-70.4	116.8	173.8	-67.6	179.8	-177.6	177.1	0	107.7	D55 F57 I61	D55-K59 WeakPolarHBondContact OD1-CE 3.13Å; D55-K59 IonicContact OD1-NZ 3.15Å; D55-K59 PolarHBondContact OD1-NZ 2.8Å; F57-K59 PolarHBondContact O-N 2.94Å; F57-K59 VanDerWaalsContact O-N 3.1Å; K59-I61 PolarHBondContact O-N 2.94Å
60	V	60.2	Low	59.6	Low	121 Å²	121	98.3 Å²	98.3	73%	0.733	54%	0.544	S	S	*	.			trans	-60.2	103.6	168.5	-178.4	0	0	0	0	106.4	P58 H62	P58-V60 PolarHBondContact O-N 2.89Å; V60-H62 VanDerWaalsContact C-N 3.25Å; V60-H62 PolarHBondContact O-N 2.94Å
61	I	47.5	Very low	57.8	Low	152 Å²	152	101.7 Å²	101.7	78%	0.779	57%	0.57	S	S	*	*			trans	-67.4	95.6	173.6	-59.1	173.7	0	0	0	105	K59 S63	K59-I61 PolarHBondContact O-N 2.94Å; I61-S63 PolarHBondContact O-N 3Å
62	H	44.4	Very low	56.1	Low	167 Å²	167	103.7 Å²	103.7	77%	0.773	58%	0.583	S	S	*	*			trans	-61.8	94.6	156.2	-71.4	-73.5	0	0	0	105.6	V60 K64	V60-H62 VanDerWaalsContact C-N 3.25Å; V60-H62 PolarHBondContact O-N 2.94Å; H62-K64 PolarHBondContact O-N 3.34Å; H62-K64 VanDerWaalsContact O-N 3.13Å
63	S	43.8	Very low	54.3	Low	86 Å²	86	107.8 Å²	107.8	60%	0.601	61%	0.609	S	S	*	*			trans	-54.3	123	165.2	51.7	0	0	0	0	106	I61 D65	I61-S63 PolarHBondContact O-N 3Å; S63-D65 PolarHBondContact O-N 2.62Å
64	K	40.1	Very low	52.4	Low	203 Å²	203	119.2 Å²	119.2	88%	0.883	65%	0.652	S	S	*	*	S	Bend	trans	-71.4	22.1	-174	-163.4	168.8	175.7	172.5	0	112.6	H62	H62-K64 PolarHBondContact O-N 3.34Å; H62-K64 VanDerWaalsContact O-N 3.13Å
65	D	43.2	Very low	50.6	Low	144 Å²	144	121.8 Å²	121.8	77%	0.77	67%	0.674	S	S	*	*			trans	-118	56.5	-172.2	-60.7	-28.4	0	0	0	110.4	S63	S63-D65 PolarHBondContact O-N 2.62Å
66	S	40.8	Very low	49.2	Very low	95 Å²	95	127.4 Å²	127.4	66%	0.664	70%	0.695	S	S	*	*			trans	-165.3	87.2	148.6	-163.6	0	0	0	0	110.6	N68	S66-N68 PolarHBondContact O-N 3.29Å; S66-N68 PolarHBondContact OG-O 2.84Å
67	A	37.4	Very low	48.1	Very low	103 Å²	103	129.6 Å²	129.6	85%	0.851	71%	0.71	S	S	*	*			trans	-74.1	75.7	159	0	0	0	0	0	108.5
68	N	38.4	Very low	47.4	Very low	146 Å²	146	133 Å²	133	78%	0.781	73%	0.734	S	S	*	*			trans	157.6	93	161.3	-90.9	-17	0	0	0	108.6	S66	S66-N68 PolarHBondContact O-N 3.29Å; S66-N68 PolarHBondContact OG-O 2.84Å
69	D	36.6	Very low	47.5	Very low	143 Å²	143	129.9 Å²	129.9	77%	0.765	71%	0.712	S	S	*	*				-171.9	120	126.2	-132.3	-22.9	0	0	0	110.3
70	S	38.1	Very low	48	Very low	84 Å²	84	123.2 Å²	123.2	59%	0.587	68%	0.684	S	S	*	*			trans	31.1	123.4	136.1	-44.2	0	0	0	0	119.6	I72	S70-I72 PolarHBondContact O-N 3.47Å
71	T	37.7	Very low	49.2	Very low	147 Å²	147	119.6 Å²	119.6	90%	0.902	66%	0.664	S	S	*	*	S	Bend	trans	-42.7	17.7	171.5	-49.1	0	0	0	0	118.9
72	I	41.4	Very low	50.9	Low	151 Å²	151	115.1 Å²	115.1	77%	0.774	65%	0.646	S	S	*	*			trans	-119.1	53.3	-173.1	-43.4	179	0	0	0	110.6	S70	S70-I72 PolarHBondContact O-N 3.47Å
73	C	39.1	Very low	52.7	Low	113 Å²	113	110.5 Å²	110.5	76%	0.764	63%	0.632	S	S	*	*			trans	-144.4	50.7	160.8	-77.9	0	0	0	0	109	S75	C73-S75 PolarHBondContact O-N 2.95Å
74	R	41.3	Very low	54.7	Low	246 Å²	246	110.4 Å²	110.4	93%	0.928	62%	0.622	S	S	*	*			trans	-67.1	67.9	144.4	-86.9	-178	165.1	-179.3	-5.5	106	K76	R74-K76 PolarHBondContact O-N 3.28Å
75	S	44.4	Very low	56.8	Low	98 Å²	98	100.8 Å²	100.8	69%	0.685	58%	0.58	S	S	*	*			trans	-55	111.2	167.3	51	0	0	0	0	104.3	C73 S77	C73-S75 PolarHBondContact O-N 2.95Å; S75-S77 PolarHBondContact O-N 3.29Å
76	K	51.4	Low	58.8	Low	193 Å²	193	93.9 Å²	93.9	84%	0.839	54%	0.543	S	S	*	.			trans	-57.9	88.9	-176	-153	173.3	-171.3	177.5	0	106.4	R74	R74-K76 PolarHBondContact O-N 3.28Å
77	S	57.9	Low	60.7	Low	72 Å²	72	91.2 Å²	91.2	50%	0.503	53%	0.525	S	S	.	.			trans	-61.5	129	177.3	50.6	0	0	0	0	105.2	S75 V79 A113	S75-S77 PolarHBondContact O-N 3.29Å; S77-V79 PolarHBondContact O-N 3.34Å; S77-V79 VanDerWaalsContact O-N 3.09Å; S77-V79 PolarHBondContact OG-O 2.93Å; S77-A113 WeakPolarHBondContact O-CB 3.25Å
78	P	68.2	Low	62.8	Low	87 Å²	87	86.4 Å²	86.4	57%	0.565	49%	0.485	S	S	*	.	S	Bend	trans	-63.1	-16.7	179.8	24.3	-31.6	0	0	0	111.3	W111 Q112 A113	P78-W111 CarbonylContact O-C 3.46Å; P78-Q112 CarbonylContact O-C 2.93Å; P78-Q112 WeakPolarHBondContact O-CA 3.36Å; P78-A113 PolarHBondContact O-N 3.17Å
79	V	77.3	Confident	64.8	Low	26 Å²	26	79.4 Å²	79.4	16%	0.158	45%	0.447	C	S	.	.	S	Bend	trans	-102.5	143.3	-176.5	-172.3	0	0	0	0	111.2	S77 L85 D97 W111	S77-V79 PolarHBondContact O-N 3.34Å; S77-V79 VanDerWaalsContact O-N 3.09Å; S77-V79 PolarHBondContact OG-O 2.93Å; V79-L85 HydrophobicContact CG1-CD1 3.93Å; V79-D97 HydrophobicContact CG2-CB 4.15Å; V79-D97 VanDerWaalsContact CG2-CG 3.47Å; V79-D97 WeakPolarHBondContact CG2-OD2 3.24Å; V79-W111 HydrophobicContact CB-CB 4.43Å; V79-W111 HydrophobicContact CG1-CB 3.94Å; V79-W111 HydrophobicContact CG1-CG 4.32Å; V79-W111 HydrophobicContact CG2-CB 4.43Å
80	P	79.4	Confident	67	Low	10 Å²	10	72.6 Å²	72.6	7%	0.065	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-53.1	161.4	166.8	-25.8	34.8	0	0	0	112.6	L85 W111 Q112 D115 P117	P80-L85 HydrophobicContact CB-CG 4.33Å; P80-W111 HydrophobicContact CG-CB 4.47Å; P80-W111 HydrophobicContact CG-CE3 4.14Å; P80-Q112 WeakPolarHBondContact CD-O 3.45Å; P80-Q112 WeakPolarHBondContact CG-O 3.35Å; P80-D115 HydrophobicContact CG-CB 4.5Å; P80-D115 WeakPolarHBondContact CG-O 3.41Å; P80-P117 HydrophobicContact CB-CG 4.02Å; P80-P117 HydrophobicContact CG-CG 4.29Å
81	S	84	Confident	69.1	Low	45 Å²	45	68.7 Å²	68.7	32%	0.315	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-64.7	145.4	-178.1	70.1	0	0	0	0	111.1	S83 E84 L85	S81-S83 PolarHBondContact O-N 3.32Å; S81-E84 WeakPolarHBondContact CB-OE2 3.38Å; S81-E84 PolarHBondContact N-OE2 2.73Å; S81-E84 PolarHBondContact O-N 3.18Å; S81-E84 WeakPolarHBondContact OG-CG 3.43Å; S81-E84 PolarHBondContact OG-N 3.42Å; S81-E84 PolarHBondContact OG-OE2 3.25Å; S81-L85 PolarHBondContact O-N 3.1Å; S81-L85 VanDerWaalsContact O-N 3.16Å
82	P	83.2	Confident	71.2	Confident	59 Å²	59	62.7 Å²	62.7	38%	0.383	35%	0.345	S	S	.	.	H	α-helix	trans	-53.3	-30.7	175	-30.6	37	0	0	0	113.6	F57 A86	F57-P82 HydrophobicContact CB-CB 3.8Å; F57-P82 HydrophobicContact CB-CG 4.14Å; F57-P82 HydrophobicContact CD1-CB 4.22Å; F57-P82 HydrophobicContact CD2-CB 3.95Å; F57-P82 HydrophobicContact CG-CB 3.72Å; F57-P82 HydrophobicContact CG-CG 4.34Å; P82-A86 VanDerWaalsContact O-CB 3.28Å; P82-A86 WeakPolarHBondContact O-CB 3.46Å; P82-A86 PolarHBondContact O-N 3.48Å
83	S	83.4	Confident	72.9	Confident	69 Å²	69	57.5 Å²	57.5	48%	0.483	32%	0.32	S	S	.	.	H	α-helix	trans	-67.6	-40.5	177.6	-167.5	0	0	0	0	112.8	S81 S87	S81-S83 PolarHBondContact O-N 3.32Å; S83-S87 WeakPolarHBondContact O-CB 3.21Å; S83-S87 PolarHBondContact O-N 3.27Å; S83-S87 PolarHBondContact O-OG 2.87Å
84	E	84.6	Confident	74.7	Confident	84 Å²	84	55.1 Å²	55.1	39%	0.393	32%	0.315	S	S	.	.	H	α-helix	trans	-71.3	-36.9	178.1	-70.2	157.5	162.7	0	0	111.5	S81 S87 A88 P117	S81-E84 WeakPolarHBondContact CB-OE2 3.38Å; S81-E84 PolarHBondContact N-OE2 2.73Å; S81-E84 PolarHBondContact O-N 3.18Å; S81-E84 WeakPolarHBondContact OG-CG 3.43Å; S81-E84 PolarHBondContact OG-N 3.42Å; S81-E84 PolarHBondContact OG-OE2 3.25Å; E84-S87 WeakPolarHBondContact CA-OG 3.46Å; E84-S87 PolarHBondContact O-OG 3.2Å; E84-A88 WeakPolarHBondContact O-CB 3.37Å; E84-A88 PolarHBondContact O-N 3.2Å; E84-A88 VanDerWaalsContact O-N 3.11Å; E84-P117 HydrophobicContact CB-CG 4.04Å
85	L	85.2	Confident	76.4	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-66.7	-45.1	175	-69	167.7	0	0	0	111	F57 V79 P80 S81 A88 G89 F90 T99 W111 P117	F57-L85 HydrophobicContact CD1-CD1 4.48Å; F57-L85 HydrophobicContact CE1-CB 4.01Å; F57-L85 HydrophobicContact CE1-CD1 3.63Å; F57-L85 HydrophobicContact CE1-CG 4.47Å; F57-L85 HydrophobicContact CE2-CB 4.3Å; F57-L85 HydrophobicContact CZ-CB 3.53Å; F57-L85 HydrophobicContact CZ-CD1 4.08Å; F57-L85 HydrophobicContact CZ-CG 4.44Å; V79-L85 HydrophobicContact CG1-CD1 3.93Å; P80-L85 HydrophobicContact CB-CG 4.33Å; S81-L85 PolarHBondContact O-N 3.1Å; S81-L85 VanDerWaalsContact O-N 3.16Å; L85-A88 PolarHBondContact O-N 2.57Å; L85-G89 PolarHBondContact O-N 3.4Å; L85-F90 HydrophobicContact CB-CB 4.45Å; L85-F90 WeakPolarHBondContact O-CB 3.43Å; L85-F90 PolarHBondContact O-N 3.38Å; L85-T99 HydrophobicContact CD1-CG2 4.32Å; L85-W111 HydrophobicContact CD2-CD2 3.93Å; L85-W111 HydrophobicContact CD2-CE3 4.21Å; L85-W111 HydrophobicContact CD2-CH2 3.82Å; L85-W111 HydrophobicContact CD2-CZ2 3.5Å; L85-W111 VanDerWaalsContact CD2-CZ2 3.5Å; L85-W111 HydrophobicContact CD2-CZ3 4.16Å; L85-P117 HydrophobicContact CD2-CB 3.95Å; L85-P117 HydrophobicContact CD2-CG 3.71Å; L85-P117 HydrophobicContact CG-CG 4.19Å
86	A	84.5	Confident	78.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.5	-38.4	178.6	0	0	0	0	0	113	R53 L54 F57 P82 G89 F90	R53-A86 HydrophobicContact CB-CB 4.09Å; L54-A86 HydrophobicContact CD2-CB 3.44Å; L54-A86 VanDerWaalsContact CD2-CB 3.44Å; L54-A86 HydrophobicContact CG-CB 3.88Å; F57-A86 HydrophobicContact CE2-CB 4.26Å; P82-A86 VanDerWaalsContact O-CB 3.28Å; P82-A86 WeakPolarHBondContact O-CB 3.46Å; P82-A86 PolarHBondContact O-N 3.48Å; A86-G89 WeakPolarHBondContact O-CA 3.29Å; A86-G89 PolarHBondContact O-N 2.96Å; A86-F90 WeakPolarHBondContact CA-O 3.33Å
87	S	81.1	Confident	79.5	Confident	39 Å²	39	38.7 Å²	38.7	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-66.7	-40.8	176.5	67.7	0	0	0	0	111.7	S83 E84 G89 Y152 H156	S83-S87 WeakPolarHBondContact O-CB 3.21Å; S83-S87 PolarHBondContact O-N 3.27Å; S83-S87 PolarHBondContact O-OG 2.87Å; E84-S87 WeakPolarHBondContact CA-OG 3.46Å; E84-S87 PolarHBondContact O-OG 3.2Å; S87-G89 PolarHBondContact O-N 3.39Å; S87-Y152 WeakPolarHBondContact O-CE1 3.33Å; S87-Y152 PolarHBondContact O-OH 3.3Å; S87-H156 PolarHBondContact O-CD2 3.44Å; S87-H156 PolarHBondContact O-NE2 3.33Å
88	A	81.6	Confident	80.6	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.008	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-3.6	171.3	0	0	0	0	0	114.1	E84 L85 F90 P117 E118 H121 Y152	E84-A88 WeakPolarHBondContact O-CB 3.37Å; E84-A88 PolarHBondContact O-N 3.2Å; E84-A88 VanDerWaalsContact O-N 3.11Å; L85-A88 PolarHBondContact O-N 2.57Å; A88-F90 HydrophobicContact CB-CD2 3.92Å; A88-F90 HydrophobicContact CB-CE2 4.09Å; A88-P117 HydrophobicContact CB-CB 3.45Å; A88-P117 VanDerWaalsContact CB-CB 3.45Å; A88-E118 HydrophobicContact CB-CB 4.38Å; A88-H121 PolarHBondContact O-ND1 3.09Å; A88-Y152 VanDerWaalsContact C-CE1 3.42Å; A88-Y152 WeakPolarHBondContact O-CE1 3.38Å
89	G	80.1	Confident	81.3	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.8	11.3	171.9	0	0	0	0	0	114.4	L85 A86 S87 P102 Y152	L85-G89 PolarHBondContact O-N 3.4Å; A86-G89 WeakPolarHBondContact O-CA 3.29Å; A86-G89 PolarHBondContact O-N 2.96Å; S87-G89 PolarHBondContact O-N 3.39Å; G89-P102 WeakPolarHBondContact O-CD 3.49Å; G89-Y152 VanDerWaalsContact N-CE1 3.29Å
90	F	83.4	Confident	81.4	Confident	0 Å²	0	32 Å²	32	0%	0	22%	0.218	C	C	.	.			trans	-89.8	145	179.9	-66.4	-77.1	0	0	0	112	L85 A86 A88 I100 C101 L106 L108 W111 H121	L85-F90 HydrophobicContact CB-CB 4.45Å; L85-F90 WeakPolarHBondContact O-CB 3.43Å; L85-F90 PolarHBondContact O-N 3.38Å; A86-F90 WeakPolarHBondContact CA-O 3.33Å; A88-F90 HydrophobicContact CB-CD2 3.92Å; A88-F90 HydrophobicContact CB-CE2 4.09Å; F90-I100 WeakPolarHBondContact CA-O 3.47Å; F90-C101 HydrophobicContact CD1-CB 4.09Å; F90-C101 HydrophobicContact CE1-CB 3.95Å; F90-L106 HydrophobicContact CZ-CD2 4.39Å; F90-L108 HydrophobicContact CE1-CD1 4.04Å; F90-L108 HydrophobicContact CE1-CG 4.3Å; F90-L108 HydrophobicContact CE2-CD1 4.37Å; F90-L108 HydrophobicContact CZ-CD1 3.63Å; F90-L108 HydrophobicContact CZ-CG 4.38Å; F90-W111 HydrophobicContact CD2-CH2 4.44Å; F90-W111 HydrophobicContact CD2-CZ2 4.37Å; F90-W111 HydrophobicContact CE2-CH2 4.08Å; F90-W111 HydrophobicContact CE2-CZ2 4.3Å; F90-W111 HydrophobicContact CZ-CH2 4.46Å; F90-H121 HydrophobicContact CE2-CB 3.74Å; F90-H121 AromaticContact CE2-CG 3.88Å; F90-H121 AromaticContact CE2-ND1 3.79Å; F90-H121 HydrophobicContact CZ-CB 3.66Å; F90-H121 AromaticContact CZ-CG 3.57Å; F90-H121 AromaticContact CZ-ND1 3.74Å
91	F	81.7	Confident	81.5	Confident	1 Å²	1	31.5 Å²	31.5	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	154.6	164.1	69.8	-90.3	0	0	0	109.4	Y47 R53 T93 T99 I100 P102 L363	Y47-F91 HydrophobicContact CD1-CB 3.98Å; Y47-F91 HydrophobicContact CD1-CD2 4.09Å; Y47-F91 HydrophobicContact CD1-CG 4.02Å; Y47-F91 HydrophobicContact CD2-CB 4.48Å; Y47-F91 AromaticContact CD2-CD1 3.81Å; Y47-F91 HydrophobicContact CD2-CD1 3.81Å; Y47-F91 AromaticContact CD2-CD2 3.48Å; Y47-F91 HydrophobicContact CD2-CD2 3.48Å; Y47-F91 VanDerWaalsContact CD2-CD2 3.48Å; Y47-F91 AromaticContact CD2-CE1 3.82Å; Y47-F91 HydrophobicContact CD2-CE1 3.82Å; Y47-F91 AromaticContact CD2-CE2 3.5Å; Y47-F91 HydrophobicContact CD2-CE2 3.5Å; Y47-F91 AromaticContact CD2-CG 3.65Å; Y47-F91 HydrophobicContact CD2-CG 3.65Å; Y47-F91 AromaticContact CD2-CZ 3.67Å; Y47-F91 HydrophobicContact CD2-CZ 3.67Å; Y47-F91 HydrophobicContact CE1-CD2 4.08Å; Y47-F91 HydrophobicContact CE1-CG 4.46Å; Y47-F91 AromaticContact CE2-CD2 3.44Å; Y47-F91 HydrophobicContact CE2-CD2 3.44Å; Y47-F91 VanDerWaalsContact CE2-CD2 3.44Å; Y47-F91 HydrophobicContact CE2-CE1 4.47Å; Y47-F91 AromaticContact CE2-CE2 3.32Å; Y47-F91 HydrophobicContact CE2-CE2 3.32Å; Y47-F91 HydrophobicContact CE2-CG 4.11Å; Y47-F91 AromaticContact CE2-CZ 3.88Å; Y47-F91 HydrophobicContact CE2-CZ 3.88Å; Y47-F91 HydrophobicContact CG-CB 3.95Å; Y47-F91 AromaticContact CG-CD1 3.88Å; Y47-F91 HydrophobicContact CG-CD1 3.88Å; Y47-F91 AromaticContact CG-CD2 3.81Å; Y47-F91 HydrophobicContact CG-CD2 3.81Å; Y47-F91 HydrophobicContact CG-CE1 4.34Å; Y47-F91 HydrophobicContact CG-CE2 4.29Å; Y47-F91 AromaticContact CG-CG 3.6Å; Y47-F91 HydrophobicContact CG-CG 3.6Å; Y47-F91 AromaticContact CZ-CD2 3.75Å; R53-F91 HydrophobicContact CB-CB 4.23Å; R53-F91 HydrophobicContact CG-CB 4.06Å; F91-T93 HydrophobicContact CE2-CG2 4.41Å; F91-T99 CarbonylContact O-C 3.6Å; F91-T99 WeakPolarHBondContact O-CA 3.3Å; F91-I100 WeakPolarHBondContact CD1-O 3.34Å; F91-I100 HydrophobicContact CE1-CB 3.99Å; F91-I100 HydrophobicContact CE1-CG2 4.1Å; F91-I100 VanDerWaalsContact CE1-O 3.3Å; F91-I100 WeakPolarHBondContact CE1-O 3.13Å; F91-I100 HydrophobicContact CE2-CB 4.48Å; F91-I100 HydrophobicContact CZ-CB 3.89Å; F91-I100 HydrophobicContact CZ-CG2 4.18Å; F91-I100 PolarHBondContact N-O 3.28Å; F91-I100 PolarHBondContact O-N 3.39Å; F91-P102 HydrophobicContact CD1-CB 4.34Å; F91-P102 HydrophobicContact CD1-CG 4.47Å; F91-P102 HydrophobicContact CE1-CB 4.14Å; F91-L363 HydrophobicContact CZ-CD1 3.99Å
92	H	82.5	Confident	80.9	Confident	21 Å²	21	29.6 Å²	29.6	10%	0.097	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	133.5	177.4	-172.8	-105	0	0	0	110.9	S56 F57 G94 G96 E98	S56-H92 PolarHBondContact OG-N 3.26Å; F57-H92 HydrophobicContact CD1-CB 3.73Å; F57-H92 HydrophobicContact CE1-CB 3.84Å; F57-H92 HydrophobicContact CG-CB 4.15Å; F57-H92 HydrophobicContact CZ-CB 4.36Å; H92-G94 VanDerWaalsContact C-N 3.33Å; H92-G94 WeakPolarHBondContact CE1-CA 3.35Å; H92-G94 PolarHBondContact CE1-N 3.17Å; H92-G94 VanDerWaalsContact CE1-N 3.35Å; H92-G94 WeakPolarHBondContact ND1-CA 3.42Å; H92-G94 PolarHBondContact ND1-N 2.95Å; H92-G96 PolarHBondContact CE1-O 2.91Å; H92-G96 PolarHBondContact NE2-O 2.93Å; H92-E98 PolarHBondContact CD2-O 3.06Å; H92-E98 VanDerWaalsContact CD2-O 3.26Å
93	T	77.2	Confident	80.2	Confident	42 Å²	42	26.8 Å²	26.8	26%	0.258	18%	0.183	S	C	.	.			trans	-79.6	-16.6	-178.2	53.8	0	0	0	0	113.5	F91 S95 E98 I100	F91-T93 HydrophobicContact CE2-CG2 4.41Å; T93-S95 PolarHBondContact OG1-N 3.05Å; T93-S95 PolarHBondContact OG1-OG 3.25Å; T93-E98 HydrophobicContact CG2-CG 3.96Å; T93-E98 PolarHBondContact N-O 2.89Å; T93-E98 VanDerWaalsContact N-O 3.17Å; T93-E98 WeakPolarHBondContact OG1-CB 3.37Å; T93-E98 PolarHBondContact OG1-O 2.82Å; T93-I100 HydrophobicContact CG2-CB 4.3Å; T93-I100 HydrophobicContact CG2-CD1 3.38Å; T93-I100 HydrophobicContact CG2-CG1 3.59Å
94	G	77.2	Confident	79.4	Confident	64 Å²	64	25.3 Å²	25.3	66%	0.66	17%	0.172	S	C	*	.	S	Bend	trans	95.3	-9.6	-170.4	0	0	0	0	0	114.1	H92	H92-G94 VanDerWaalsContact C-N 3.33Å; H92-G94 WeakPolarHBondContact CE1-CA 3.35Å; H92-G94 PolarHBondContact CE1-N 3.17Å; H92-G94 VanDerWaalsContact CE1-N 3.35Å; H92-G94 WeakPolarHBondContact ND1-CA 3.42Å; H92-G94 PolarHBondContact ND1-N 2.95Å
95	S	76.1	Confident	78.7	Confident	58 Å²	58	22 Å²	22	41%	0.406	16%	0.161	S	C	.	.	S	Bend	trans	-102.5	105.7	179.7	40	0	0	0	0	111.7	T93 D97 E98	T93-S95 PolarHBondContact OG1-N 3.05Å; T93-S95 PolarHBondContact OG1-OG 3.25Å; S95-D97 PolarHBondContact O-N 3.4Å; S95-E98 VanDerWaalsContact O-CB 3.24Å; S95-E98 WeakPolarHBondContact O-CB 3.19Å; S95-E98 PolarHBondContact O-N 2.88Å; S95-E98 PolarHBondContact OG-OE2 2.82Å
96	G	79.8	Confident	78.1	Confident	61 Å²	61	22.7 Å²	22.7	63%	0.629	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	-124.4	176.4	0	0	0	0	0	112.3	H92	H92-G96 PolarHBondContact CE1-O 2.91Å; H92-G96 PolarHBondContact NE2-O 2.93Å
97	D	80.2	Confident	77.7	Confident	73 Å²	73	22.7 Å²	22.7	39%	0.39	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	19.9	174.9	-62.4	-29.9	0	0	0	112.6	V79 S95 W111	V79-D97 HydrophobicContact CG2-CB 4.15Å; V79-D97 VanDerWaalsContact CG2-CG 3.47Å; V79-D97 WeakPolarHBondContact CG2-OD2 3.24Å; S95-D97 PolarHBondContact O-N 3.4Å; D97-W111 VanDerWaalsContact O-CD1 3.27Å
98	E	81.6	Confident	77.5	Confident	39 Å²	39	20.9 Å²	20.9	18%	0.182	15%	0.152	C	C	.	.			trans	-72.5	134.2	-178.7	-179.3	-178.6	-177.4	0	0	111.8	H92 T93 S95 L108 R109 V358	H92-E98 PolarHBondContact CD2-O 3.06Å; H92-E98 VanDerWaalsContact CD2-O 3.26Å; T93-E98 HydrophobicContact CG2-CG 3.96Å; T93-E98 PolarHBondContact N-O 2.89Å; T93-E98 VanDerWaalsContact N-O 3.17Å; T93-E98 WeakPolarHBondContact OG1-CB 3.37Å; T93-E98 PolarHBondContact OG1-O 2.82Å; S95-E98 VanDerWaalsContact O-CB 3.24Å; S95-E98 WeakPolarHBondContact O-CB 3.19Å; S95-E98 PolarHBondContact O-N 2.88Å; S95-E98 PolarHBondContact OG-OE2 2.82Å; E98-L108 WeakPolarHBondContact CA-O 3.22Å; E98-R109 HydrophobicContact CB-CB 4.41Å; E98-V358 HydrophobicContact CG-CG2 4Å; E98-V358 VanDerWaalsContact OE1-CG1 3.3Å; E98-V358 WeakPolarHBondContact OE1-CG1 3.45Å
99	T	83.3	Confident	77.5	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	141	-177.8	61.3	0	0	0	0	110.6	F57 L85 F91 G107 L108 W111	F57-T99 HydrophobicContact CE1-CG2 3.94Å; F57-T99 HydrophobicContact CZ-CG2 4.33Å; L85-T99 HydrophobicContact CD1-CG2 4.32Å; F91-T99 CarbonylContact O-C 3.6Å; F91-T99 WeakPolarHBondContact O-CA 3.3Å; T99-G107 CarbonylContact O-C 3.52Å; T99-G107 VanDerWaalsContact O-CA 3.29Å; T99-G107 WeakPolarHBondContact O-CA 3.27Å; T99-L108 PolarHBondContact N-O 2.76Å; T99-L108 PolarHBondContact O-N 2.78Å; T99-L108 PolarHBondContact OG1-O 3.03Å; T99-L108 VanDerWaalsContact OG1-O 3.12Å; T99-W111 VanDerWaalsContact OG1-CZ2 3.32Å; T99-W111 WeakPolarHBondContact OG1-CZ2 3.48Å; T99-W111 PolarHBondContact OG1-NE1 3Å
100	I	80.2	Confident	77.5	Confident	3 Å²	3	28.4 Å²	28.4	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.6	-177.8	-62.7	177.6	0	0	0	110.5	F90 F91 T93 L106 L363	F90-I100 WeakPolarHBondContact CA-O 3.47Å; F91-I100 WeakPolarHBondContact CD1-O 3.34Å; F91-I100 HydrophobicContact CE1-CB 3.99Å; F91-I100 HydrophobicContact CE1-CG2 4.1Å; F91-I100 VanDerWaalsContact CE1-O 3.3Å; F91-I100 WeakPolarHBondContact CE1-O 3.13Å; F91-I100 HydrophobicContact CE2-CB 4.48Å; F91-I100 HydrophobicContact CZ-CB 3.89Å; F91-I100 HydrophobicContact CZ-CG2 4.18Å; F91-I100 PolarHBondContact N-O 3.28Å; F91-I100 PolarHBondContact O-N 3.39Å; T93-I100 HydrophobicContact CG2-CB 4.3Å; T93-I100 HydrophobicContact CG2-CD1 3.38Å; T93-I100 HydrophobicContact CG2-CG1 3.59Å; I100-L106 CarbonylContact C-O 3.45Å; I100-L106 WeakPolarHBondContact CA-O 3.3Å; I100-L363 HydrophobicContact CB-CD1 4.26Å; I100-L363 HydrophobicContact CD1-CD1 3.43Å; I100-L363 VanDerWaalsContact CD1-CD1 3.43Å; I100-L363 HydrophobicContact CD1-CD2 4.25Å; I100-L363 HydrophobicContact CD1-CG 3.66Å; I100-L363 HydrophobicContact CG1-CD1 4.4Å; I100-L363 HydrophobicContact CG2-CD1 3.74Å
101	C	80.1	Confident	77.5	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	19%	0.186	C	C	.	.			trans	-82.9	126.1	168.5	176.7	0	0	0	0	110.2	F90 A103 C104 G105 L106 H121	F90-C101 HydrophobicContact CD1-CB 4.09Å; F90-C101 HydrophobicContact CE1-CB 3.95Å; C101-A103 VanDerWaalsContact C-N 3.28Å; C101-A103 PolarHBondContact O-N 3.03Å; C101-A103 PolarHBondContact SG-N 3.48Å; C101-C104 WeakPolarHBondContact CB-SG 3.02Å; C101-G105 WeakPolarHBondContact O-CA 3.44Å; C101-G105 PolarHBondContact O-N 3.25Å; C101-L106 PolarHBondContact N-O 2.75Å; C101-H121 PolarHBondContact SG-CE1 2.83Å
102	P	71.2	Confident	77.3	Confident	4 Å²	4	31.4 Å²	31.4	3%	0.026	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-25.2	-178.1	29.4	-33	0	0	0	113.1	I40 R43 T44 G89 F91	I40-P102 HydrophobicContact CG1-CG 4.36Å; I40-P102 HydrophobicContact CG2-CB 4.07Å; I40-P102 HydrophobicContact CG2-CG 4.1Å; R43-P102 WeakPolarHBondContact CD-O 3.47Å; T44-P102 WeakPolarHBondContact OG1-CA 3.24Å; T44-P102 WeakPolarHBondContact OG1-CB 3.4Å; G89-P102 WeakPolarHBondContact O-CD 3.49Å; F91-P102 HydrophobicContact CD1-CB 4.34Å; F91-P102 HydrophobicContact CD1-CG 4.47Å; F91-P102 HydrophobicContact CE1-CB 4.14Å
103	A	68.6	Low	77.1	Confident	0 Å²	0	33 Å²	33	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-56.6	-176.9	0	0	0	0	0	112.3	Q39 I40 R43 C101	Q39-A103 PolarHBondContact NE2-O 3.17Å; I40-A103 HydrophobicContact CD1-CB 4.38Å; I40-A103 HydrophobicContact CG1-CB 3.8Å; R43-A103 VanDerWaalsContact CZ-O 3.25Å; R43-A103 PolarHBondContact NH1-O 3.33Å; C101-A103 VanDerWaalsContact C-N 3.28Å; C101-A103 PolarHBondContact O-N 3.03Å; C101-A103 PolarHBondContact SG-N 3.48Å
104	C	67.8	Low	77.2	Confident	38 Å²	38	34.7 Å²	34.7	26%	0.257	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-22.6	179.9	60.4	0	0	0	0	113.1	R43 C101 L106 H121 C150	R43-C104 PolarHBondContact NH1-O 3.48Å; C101-C104 WeakPolarHBondContact CB-SG 3.02Å; C104-L106 VanDerWaalsContact C-N 3.3Å; C104-L106 WeakPolarHBondContact SG-CB 3.3Å; C104-L106 PolarHBondContact SG-N 2.92Å; C104-L106 VanDerWaalsContact SG-N 3.39Å; C104-H121 PolarHBondContact SG-NE2 3.34Å; C104-C150 HydrophobicContact CB-CB 4.04Å; C104-C150 VanDerWaalsContact CB-SG 3.57Å; C104-C150 VanDerWaalsContact SG-SG 3.66Å
105	G	68.8	Low	77.3	Confident	15 Å²	15	31.7 Å²	31.7	16%	0.155	19%	0.194	C	C	.	.			trans	80.5	9.5	-172.9	0	0	0	0	0	113.6	C101 G107 S360	C101-G105 WeakPolarHBondContact O-CA 3.44Å; C101-G105 PolarHBondContact O-N 3.25Å; G105-G107 PolarHBondContact O-N 3.36Å; G105-S360 WeakPolarHBondContact O-CB 3.4Å; G105-S360 PolarHBondContact O-OG 3.3Å
106	L	72.2	Confident	77.5	Confident	16 Å²	16	32.8 Å²	32.8	8%	0.084	19%	0.193	C	C	.	.			trans	-66.6	121.3	177.4	177	67.4	0	0	0	110.2	F90 I100 C101 C104 L108	F90-L106 HydrophobicContact CZ-CD2 4.39Å; I100-L106 CarbonylContact C-O 3.45Å; I100-L106 WeakPolarHBondContact CA-O 3.3Å; C101-L106 PolarHBondContact N-O 2.75Å; C104-L106 VanDerWaalsContact C-N 3.3Å; C104-L106 WeakPolarHBondContact SG-CB 3.3Å; C104-L106 PolarHBondContact SG-N 2.92Å; C104-L106 VanDerWaalsContact SG-N 3.39Å; L106-L108 HydrophobicContact CD1-CD2 4.36Å; L106-L108 HydrophobicContact CD2-CD1 4.33Å; L106-L108 HydrophobicContact CD2-CD2 4.47Å; L106-L108 HydrophobicContact CD2-CG 4.33Å; L106-L108 HydrophobicContact CG-CD2 4.37Å; L106-L108 HydrophobicContact CG-CG 4.25Å
107	G	76.3	Confident	77.7	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	134.8	171.2	0	0	0	0	0	111.8	T99 G105 S357 V358 S360	T99-G107 CarbonylContact O-C 3.52Å; T99-G107 VanDerWaalsContact O-CA 3.29Å; T99-G107 WeakPolarHBondContact O-CA 3.27Å; G105-G107 PolarHBondContact O-N 3.36Å; G107-S357 WeakPolarHBondContact O-CA 3Å; G107-V358 PolarHBondContact O-N 3.19Å; G107-S360 PolarHBondContact N-OG 3.03Å; G107-S360 VanDerWaalsContact N-OG 3.17Å
108	L	78.1	Confident	77.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139.6	175.6	-63.5	178.5	0	0	0	109.7	F90 E98 T99 L106 W111 C120 Y124 R356	F90-L108 HydrophobicContact CE1-CD1 4.04Å; F90-L108 HydrophobicContact CE1-CG 4.3Å; F90-L108 HydrophobicContact CE2-CD1 4.37Å; F90-L108 HydrophobicContact CZ-CD1 3.63Å; F90-L108 HydrophobicContact CZ-CG 4.38Å; E98-L108 WeakPolarHBondContact CA-O 3.22Å; T99-L108 PolarHBondContact N-O 2.76Å; T99-L108 PolarHBondContact O-N 2.78Å; T99-L108 PolarHBondContact OG1-O 3.03Å; T99-L108 VanDerWaalsContact OG1-O 3.12Å; L106-L108 HydrophobicContact CD1-CD2 4.36Å; L106-L108 HydrophobicContact CD2-CD1 4.33Å; L106-L108 HydrophobicContact CD2-CD2 4.47Å; L106-L108 HydrophobicContact CD2-CG 4.33Å; L106-L108 HydrophobicContact CG-CD2 4.37Å; L106-L108 HydrophobicContact CG-CG 4.25Å; L108-W111 HydrophobicContact CB-CH2 4.28Å; L108-W111 HydrophobicContact CB-CZ2 3.62Å; L108-W111 HydrophobicContact CD1-CH2 3.46Å; L108-W111 VanDerWaalsContact CD1-CH2 3.46Å; L108-W111 HydrophobicContact CD1-CZ2 3.63Å; L108-W111 HydrophobicContact CD1-CZ3 4.37Å; L108-W111 HydrophobicContact CG-CZ2 4.26Å; L108-C120 HydrophobicContact CD1-CB 4.14Å; L108-Y124 HydrophobicContact CD1-CD2 4.31Å; L108-Y124 HydrophobicContact CD2-CD1 4.3Å; L108-Y124 HydrophobicContact CD2-CD2 3.59Å; L108-Y124 HydrophobicContact CD2-CE2 4.04Å; L108-Y124 HydrophobicContact CD2-CG 3.77Å; L108-R356 CarbonylContact C-O 3.56Å; L108-R356 WeakPolarHBondContact CA-O 3.1Å
109	R	80.3	Confident	77.3	Confident	96 Å²	96	28 Å²	28	36%	0.362	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	177.1	174.8	68.2	173.9	179.8	-116.6	-0.2	111.1	E98 W111 P355 R356 V358	E98-R109 HydrophobicContact CB-CB 4.41Å; R109-W111 VanDerWaalsContact C-N 3.34Å; R109-W111 PolarHBondContact O-N 2.9Å; R109-P355 CarbonylContact O-C 3.44Å; R109-P355 VanDerWaalsContact O-CA 3.24Å; R109-P355 WeakPolarHBondContact O-CA 3.27Å; R109-P355 VanDerWaalsContact O-CB 3.26Å; R109-P355 WeakPolarHBondContact O-CB 3.36Å; R109-R356 HydrophobicContact CG-CB 3.97Å; R109-R356 PolarHBondContact N-O 3.49Å; R109-R356 PolarHBondContact O-N 3.42Å; R109-V358 HydrophobicContact CB-CG2 3.51Å; R109-V358 HydrophobicContact CG-CG2 3.41Å; R109-V358 VanDerWaalsContact CG-CG2 3.41Å
110	D	81.4	Confident	77.1	Confident	64 Å²	64	28 Å²	28	34%	0.342	15%	0.153	S	C	.	.	S	Bend	trans	57.9	43.6	176	-52.5	-35.1	0	0	0	112.4	S354 R356	D110-S354 WeakPolarHBondContact O-CB 2.88Å; D110-S354 PolarHBondContact O-OG 2.68Å; D110-R356 HydrophobicContact CB-CG 4.38Å; D110-R356 VanDerWaalsContact OD2-CD 3.23Å; D110-R356 WeakPolarHBondContact OD2-CD 3.17Å; D110-R356 IonicContact OD2-NE 3.2Å
111	W	82.3	Confident	76.8	Confident	5 Å²	5	27.9 Å²	27.9	2%	0.019	15%	0.152	C	C	.	.			trans	-61.5	142.9	-179.3	-70.5	101.8	0	0	0	112.7	P78 V79 P80 L85 F90 D97 T99 L108 R109 D115 P117 C120 P355	P78-W111 CarbonylContact O-C 3.46Å; V79-W111 HydrophobicContact CB-CB 4.43Å; V79-W111 HydrophobicContact CG1-CB 3.94Å; V79-W111 HydrophobicContact CG1-CG 4.32Å; V79-W111 HydrophobicContact CG2-CB 4.43Å; P80-W111 HydrophobicContact CG-CB 4.47Å; P80-W111 HydrophobicContact CG-CE3 4.14Å; L85-W111 HydrophobicContact CD2-CD2 3.93Å; L85-W111 HydrophobicContact CD2-CE3 4.21Å; L85-W111 HydrophobicContact CD2-CH2 3.82Å; L85-W111 HydrophobicContact CD2-CZ2 3.5Å; L85-W111 VanDerWaalsContact CD2-CZ2 3.5Å; L85-W111 HydrophobicContact CD2-CZ3 4.16Å; F90-W111 HydrophobicContact CD2-CH2 4.44Å; F90-W111 HydrophobicContact CD2-CZ2 4.37Å; F90-W111 HydrophobicContact CE2-CH2 4.08Å; F90-W111 HydrophobicContact CE2-CZ2 4.3Å; F90-W111 HydrophobicContact CZ-CH2 4.46Å; D97-W111 VanDerWaalsContact O-CD1 3.27Å; T99-W111 VanDerWaalsContact OG1-CZ2 3.32Å; T99-W111 WeakPolarHBondContact OG1-CZ2 3.48Å; T99-W111 PolarHBondContact OG1-NE1 3Å; L108-W111 HydrophobicContact CB-CH2 4.28Å; L108-W111 HydrophobicContact CB-CZ2 3.62Å; L108-W111 HydrophobicContact CD1-CH2 3.46Å; L108-W111 VanDerWaalsContact CD1-CH2 3.46Å; L108-W111 HydrophobicContact CD1-CZ2 3.63Å; L108-W111 HydrophobicContact CD1-CZ3 4.37Å; L108-W111 HydrophobicContact CG-CZ2 4.26Å; R109-W111 VanDerWaalsContact C-N 3.34Å; R109-W111 PolarHBondContact O-N 2.9Å; W111-D115 HydrophobicContact CE3-CB 4.03Å; W111-D115 HydrophobicContact CZ3-CB 4.35Å; W111-P117 HydrophobicContact CH2-CB 4.22Å; W111-P117 HydrophobicContact CZ3-CB 4.33Å; W111-P117 HydrophobicContact CZ3-CG 4.38Å; W111-C120 HydrophobicContact CH2-CB 4.19Å; W111-C120 HydrophobicContact CZ3-CB 3.98Å; W111-P355 HydrophobicContact CD2-CB 4.23Å; W111-P355 HydrophobicContact CE3-CB 4.1Å; W111-P355 HydrophobicContact CE3-CG 4.12Å; W111-P355 HydrophobicContact CZ3-CG 4.15Å
112	Q	78.9	Confident	76.2	Confident	59 Å²	59	29.6 Å²	29.6	28%	0.276	16%	0.161	S	C	.	.			trans	-106.9	153.9	169.5	-77.5	174.6	13.6	0	0	112.3	P78 P80 T114 D115 T352 S354	P78-Q112 CarbonylContact O-C 2.93Å; P78-Q112 WeakPolarHBondContact O-CA 3.36Å; P80-Q112 WeakPolarHBondContact CD-O 3.45Å; P80-Q112 WeakPolarHBondContact CG-O 3.35Å; Q112-T114 PolarHBondContact O-N 2.73Å; Q112-T114 VanDerWaalsContact O-N 3.12Å; Q112-D115 WeakPolarHBondContact CB-OD2 3.46Å; Q112-D115 PolarHBondContact N-OD2 3.11Å; Q112-D115 VanDerWaalsContact O-CB 3.31Å; Q112-D115 WeakPolarHBondContact O-CB 3.46Å; Q112-D115 PolarHBondContact O-N 3.15Å; Q112-T352 PolarHBondContact NE2-O 3.19Å; Q112-T352 VanDerWaalsContact NE2-O 3.16Å; Q112-S354 WeakPolarHBondContact CG-OG 3.26Å; Q112-S354 PolarHBondContact NE2-OG 3.48Å
113	A	76.8	Confident	76.1	Confident	53 Å²	53	29.6 Å²	29.6	44%	0.438	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.6	-178.8	0	0	0	0	0	113.2	S77 P78	S77-A113 WeakPolarHBondContact O-CB 3.25Å; P78-A113 PolarHBondContact O-N 3.17Å
114	T	79.4	Confident	76.1	Confident	78 Å²	78	30.2 Å²	30.2	48%	0.479	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.3	177.2	52.8	0	0	0	0	113.1	Q112	Q112-T114 PolarHBondContact O-N 2.73Å; Q112-T114 VanDerWaalsContact O-N 3.12Å
115	D	80.7	Confident	76	Confident	2 Å²	2	29 Å²	29	1%	0.011	16%	0.156	C	C	.	.			trans	-77.8	129.4	-178	-69.9	-32.6	0	0	0	111.1	P80 W111 Q112 P117 R335 P355	P80-D115 HydrophobicContact CG-CB 4.5Å; P80-D115 WeakPolarHBondContact CG-O 3.41Å; W111-D115 HydrophobicContact CE3-CB 4.03Å; W111-D115 HydrophobicContact CZ3-CB 4.35Å; Q112-D115 WeakPolarHBondContact CB-OD2 3.46Å; Q112-D115 PolarHBondContact N-OD2 3.11Å; Q112-D115 VanDerWaalsContact O-CB 3.31Å; Q112-D115 WeakPolarHBondContact O-CB 3.46Å; Q112-D115 PolarHBondContact O-N 3.15Å; D115-P117 WeakPolarHBondContact O-CD 3.33Å; D115-R335 IonicContact OD1-CZ 2.75Å; D115-R335 IonicContact OD1-NH1 3.42Å; D115-R335 PolarHBondContact OD1-NH1 2.87Å; D115-R335 IonicContact OD1-NH2 3.85Å; D115-R335 PolarHBondContact OD1-NH2 3.39Å; D115-P355 VanDerWaalsContact OD2-CD 3.29Å; D115-P355 WeakPolarHBondContact OD2-CD 3.38Å
116	Q	80.6	Confident	75.6	Confident	81 Å²	81	29.7 Å²	29.7	38%	0.379	16%	0.16	S	C	.	.			trans	-89.5	113.8	172.2	-66.2	-60.4	-42.1	0	0	109.2	E118 A119 C120 A328	Q116-E118 VanDerWaalsContact C-N 3.33Å; Q116-E118 PolarHBondContact O-N 2.9Å; Q116-A119 HydrophobicContact CB-CB 3.91Å; Q116-A119 PolarHBondContact O-N 2.74Å; Q116-C120 PolarHBondContact O-N 2.85Å; Q116-A328 HydrophobicContact CB-CB 3.88Å; Q116-A328 HydrophobicContact CG-CB 3.51Å
117	P	83.7	Confident	74.9	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.019	16%	0.163	C	C	.	.	H	α-helix	trans	-57.1	-40.7	-174.5	-31.5	40.3	0	0	0	114.3	P80 E84 L85 A88 W111 D115 H121	P80-P117 HydrophobicContact CB-CG 4.02Å; P80-P117 HydrophobicContact CG-CG 4.29Å; E84-P117 HydrophobicContact CB-CG 4.04Å; L85-P117 HydrophobicContact CD2-CB 3.95Å; L85-P117 HydrophobicContact CD2-CG 3.71Å; L85-P117 HydrophobicContact CG-CG 4.19Å; A88-P117 HydrophobicContact CB-CB 3.45Å; A88-P117 VanDerWaalsContact CB-CB 3.45Å; W111-P117 HydrophobicContact CH2-CB 4.22Å; W111-P117 HydrophobicContact CZ3-CB 4.33Å; W111-P117 HydrophobicContact CZ3-CG 4.38Å; D115-P117 WeakPolarHBondContact O-CD 3.33Å; P117-H121 WeakPolarHBondContact O-CB 3.36Å; P117-H121 PolarHBondContact O-N 3.17Å
118	E	77.8	Confident	73.7	Confident	64 Å²	64	32.3 Å²	32.3	30%	0.299	18%	0.184	S	C	.	.	H	α-helix	trans	-64.7	-45.3	178.9	-166.6	-175.1	152.4	0	0	111.6	A88 Q116 H121 I122 L153 R157	A88-E118 HydrophobicContact CB-CB 4.38Å; Q116-E118 VanDerWaalsContact C-N 3.33Å; Q116-E118 PolarHBondContact O-N 2.9Å; E118-H121 WeakPolarHBondContact O-CB 3.25Å; E118-H121 PolarHBondContact O-N 3.43Å; E118-I122 HydrophobicContact CG-CD1 4.26Å; E118-I122 WeakPolarHBondContact O-CG1 3.33Å; E118-I122 PolarHBondContact O-N 3.07Å; E118-L153 HydrophobicContact CG-CD2 3.92Å; E118-R157 IonicContact OE1-CZ 2.83Å; E118-R157 IonicContact OE1-NE 2.78Å; E118-R157 PolarHBondContact OE1-NE 3.36Å; E118-R157 IonicContact OE1-NH2 3.87Å; E118-R157 PolarHBondContact OE1-NH2 2.74Å
119	A	76.1	Confident	72.1	Confident	6 Å²	6	34.3 Å²	34.3	5%	0.05	20%	0.196	C	C	.	.	H	α-helix	trans	-63	-44.9	178.5	0	0	0	0	0	111.8	Q116 H121 I122 A123 A328 E329	Q116-A119 HydrophobicContact CB-CB 3.91Å; Q116-A119 PolarHBondContact O-N 2.74Å; A119-H121 VanDerWaalsContact C-N 3.34Å; A119-H121 PolarHBondContact O-N 3.25Å; A119-I122 PolarHBondContact O-N 2.91Å; A119-A123 WeakPolarHBondContact O-CB 3.15Å; A119-A123 PolarHBondContact O-N 3.42Å; A119-A328 HydrophobicContact CB-CB 4.37Å; A119-E329 HydrophobicContact CB-CB 4.38Å; A119-E329 HydrophobicContact CB-CG 3.6Å
120	C	77.2	Confident	70.4	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.007	18%	0.184	C	C	.	.	H	α-helix	trans	-60.6	-43.8	174.6	-73.1	0	0	0	0	111.2	L108 W111 Q116 I122 A123 Y124 P355	L108-C120 HydrophobicContact CD1-CB 4.14Å; W111-C120 HydrophobicContact CH2-CB 4.19Å; W111-C120 HydrophobicContact CZ3-CB 3.98Å; Q116-C120 PolarHBondContact O-N 2.85Å; C120-I122 PolarHBondContact O-N 3.14Å; C120-A123 PolarHBondContact O-N 3.2Å; C120-Y124 HydrophobicContact CB-CD2 4.38Å; C120-Y124 WeakPolarHBondContact O-CB 3.49Å; C120-Y124 VanDerWaalsContact O-CD2 3.25Å; C120-Y124 WeakPolarHBondContact O-CD2 3.33Å; C120-Y124 PolarHBondContact O-N 3.36Å; C120-P355 HydrophobicContact CB-CG 4.25Å
121	H	74.7	Confident	68.6	Low	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.9	-44	178	-165.5	171.2	0	0	0	111.8	A88 F90 C101 C104 P117 E118 A119 S125 C150 L153	A88-H121 PolarHBondContact O-ND1 3.09Å; F90-H121 HydrophobicContact CE2-CB 3.74Å; F90-H121 AromaticContact CE2-CG 3.88Å; F90-H121 AromaticContact CE2-ND1 3.79Å; F90-H121 HydrophobicContact CZ-CB 3.66Å; F90-H121 AromaticContact CZ-CG 3.57Å; F90-H121 AromaticContact CZ-ND1 3.74Å; C101-H121 PolarHBondContact SG-CE1 2.83Å; C104-H121 PolarHBondContact SG-NE2 3.34Å; P117-H121 WeakPolarHBondContact O-CB 3.36Å; P117-H121 PolarHBondContact O-N 3.17Å; E118-H121 WeakPolarHBondContact O-CB 3.25Å; E118-H121 PolarHBondContact O-N 3.43Å; A119-H121 VanDerWaalsContact C-N 3.34Å; A119-H121 PolarHBondContact O-N 3.25Å; H121-S125 WeakPolarHBondContact O-CB 3.36Å; H121-S125 PolarHBondContact O-N 3.28Å; H121-S125 PolarHBondContact O-OG 3.36Å; H121-C150 WeakPolarHBondContact NE2-CB 3.32Å; H121-C150 PolarHBondContact NE2-SG 3.43Å; H121-L153 HydrophobicContact CB-CD1 3.94Å; H121-L153 HydrophobicContact CB-CD2 4.38Å
122	I	67.9	Low	66.7	Low	37 Å²	37	35.4 Å²	35.4	19%	0.19	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-50.4	177.7	-65.1	162.3	0	0	0	110.8	E118 A119 C120 Y124 S125 A126 L153 R157	E118-I122 HydrophobicContact CG-CD1 4.26Å; E118-I122 WeakPolarHBondContact O-CG1 3.33Å; E118-I122 PolarHBondContact O-N 3.07Å; A119-I122 PolarHBondContact O-N 2.91Å; C120-I122 PolarHBondContact O-N 3.14Å; I122-Y124 PolarHBondContact O-N 3.21Å; I122-S125 PolarHBondContact O-N 3.23Å; I122-S125 PolarHBondContact O-OG 3.19Å; I122-A126 WeakPolarHBondContact O-CB 3.23Å; I122-A126 PolarHBondContact O-N 2.96Å; I122-L153 HydrophobicContact CG1-CD1 3.57Å; I122-R157 VanDerWaalsContact CD1-CZ 3.47Å
123	A	69.1	Low	64.8	Low	3 Å²	3	37.6 Å²	37.6	3%	0.025	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-48.5	-177.3	0	0	0	0	0	111.8	A119 C120 A127 A332 L333	A119-A123 WeakPolarHBondContact O-CB 3.15Å; A119-A123 PolarHBondContact O-N 3.42Å; C120-A123 PolarHBondContact O-N 3.2Å; A123-A127 VanDerWaalsContact O-CB 3.24Å; A123-A127 WeakPolarHBondContact O-CB 3.45Å; A123-A127 PolarHBondContact O-N 2.96Å; A123-A332 HydrophobicContact CB-CB 3.7Å; A123-L333 HydrophobicContact CB-CD2 3.88Å; A123-L333 HydrophobicContact CB-CG 4.18Å
124	Y	68.7	Low	63	Low	14 Å²	14	41.5 Å²	41.5	6%	0.055	24%	0.237	C	C	.	.	H	α-helix	trans	-74.9	-34.7	-178.4	-79	-72.9	0	0	0	113.2	L108 C120 I122 A127 A128 C336 P355	L108-Y124 HydrophobicContact CD1-CD2 4.31Å; L108-Y124 HydrophobicContact CD2-CD1 4.3Å; L108-Y124 HydrophobicContact CD2-CD2 3.59Å; L108-Y124 HydrophobicContact CD2-CE2 4.04Å; L108-Y124 HydrophobicContact CD2-CG 3.77Å; C120-Y124 HydrophobicContact CB-CD2 4.38Å; C120-Y124 WeakPolarHBondContact O-CB 3.49Å; C120-Y124 VanDerWaalsContact O-CD2 3.25Å; C120-Y124 WeakPolarHBondContact O-CD2 3.33Å; C120-Y124 PolarHBondContact O-N 3.36Å; I122-Y124 PolarHBondContact O-N 3.21Å; Y124-A127 PolarHBondContact O-N 2.96Å; Y124-A128 WeakPolarHBondContact O-CB 3.49Å; Y124-A128 PolarHBondContact O-N 3.46Å; Y124-C336 VanDerWaalsContact CD1-SG 3.58Å; Y124-C336 VanDerWaalsContact CE1-SG 3.51Å; Y124-P355 HydrophobicContact CE2-CG 4.04Å; Y124-P355 PolarHBondContact OH-O 2.86Å
125	S	65.5	Low	61.1	Low	12 Å²	12	41.2 Å²	41.2	8%	0.084	25%	0.25	C	S	.	.	H	α-helix	trans	-67	-39.2	175.7	61.4	0	0	0	0	112.2	H121 I122 T129	H121-S125 WeakPolarHBondContact O-CB 3.36Å; H121-S125 PolarHBondContact O-N 3.28Å; H121-S125 PolarHBondContact O-OG 3.36Å; I122-S125 PolarHBondContact O-N 3.23Å; I122-S125 PolarHBondContact O-OG 3.19Å; S125-T129 PolarHBondContact O-OG1 2.88Å; S125-T129 VanDerWaalsContact O-OG1 3.12Å
126	A	59.4	Low	59.3	Low	29 Å²	29	46 Å²	46	24%	0.24	28%	0.284	C	S	.	.	H	α-helix	trans	-73.4	-31.9	175.5	0	0	0	0	0	113	I122 T129 A130	I122-A126 WeakPolarHBondContact O-CB 3.23Å; I122-A126 PolarHBondContact O-N 2.96Å; A126-T129 PolarHBondContact O-OG1 3.47Å; A126-A130 PolarHBondContact O-N 2.76Å
127	A	57.6	Low	57.3	Low	18 Å²	18	46.1 Å²	46.1	15%	0.149	31%	0.307	C	S	.	.	H	α-helix	trans	-72.8	-40.2	176.5	0	0	0	0	0	112.5	A123 Y124 T129 A130 A131 C336	A123-A127 VanDerWaalsContact O-CB 3.24Å; A123-A127 WeakPolarHBondContact O-CB 3.45Å; A123-A127 PolarHBondContact O-N 2.96Å; Y124-A127 PolarHBondContact O-N 2.96Å; A127-T129 PolarHBondContact O-N 3.41Å; A127-A130 PolarHBondContact O-N 2.88Å; A127-A130 VanDerWaalsContact O-N 3.14Å; A127-A131 PolarHBondContact O-N 3.21Å; A127-C336 HydrophobicContact CB-CB 4.12Å
128	A	50.6	Low	55.4	Low	54 Å²	54	52.1 Å²	52.1	45%	0.446	34%	0.339	S	S	.	.	H	α-helix	trans	-57.6	-38.9	178.3	0	0	0	0	0	111.7	Y124 I132	Y124-A128 WeakPolarHBondContact O-CB 3.49Å; Y124-A128 PolarHBondContact O-N 3.46Å; A128-I132 WeakPolarHBondContact O-CG1 3.19Å
129	T	44.9	Very low	53.6	Low	42 Å²	42	52.8 Å²	52.8	26%	0.258	36%	0.363	S	S	.	.	H	α-helix	trans	-76	-35.6	175.8	41.6	0	0	0	0	113.3	S125 A126 A127 A131 I132 T147	S125-T129 PolarHBondContact O-OG1 2.88Å; S125-T129 VanDerWaalsContact O-OG1 3.12Å; A126-T129 PolarHBondContact O-OG1 3.47Å; A127-T129 PolarHBondContact O-N 3.41Å; T129-A131 VanDerWaalsContact C-N 3.31Å; T129-A131 PolarHBondContact O-N 3.14Å; T129-I132 PolarHBondContact O-N 3.34Å; T129-T147 WeakPolarHBondContact CB-OG1 3.39Å; T129-T147 WeakPolarHBondContact OG1-CB 3.37Å; T129-T147 PolarHBondContact OG1-O 3.29Å; T129-T147 PolarHBondContact OG1-OG1 3.34Å
130	A	44.3	Very low	51.6	Low	13 Å²	13	59.7 Å²	59.7	11%	0.107	39%	0.394	C	S	.	.	H	α-helix	trans	-64.3	-34	173.5	0	0	0	0	0	112.8	A126 A127 I132 E133 M134 P144	A126-A130 PolarHBondContact O-N 2.76Å; A127-A130 PolarHBondContact O-N 2.88Å; A127-A130 VanDerWaalsContact O-N 3.14Å; A130-I132 VanDerWaalsContact C-N 3.3Å; A130-I132 PolarHBondContact O-N 2.88Å; A130-E133 PolarHBondContact O-N 2.99Å; A130-M134 PolarHBondContact O-N 3.42Å; A130-P144 HydrophobicContact CB-CB 3.93Å
131	A	43.5	Very low	49.6	Very low	45 Å²	45	71.1 Å²	71.1	37%	0.372	44%	0.438	S	S	.	.	H	α-helix	trans	-63.9	-34.8	176.6	0	0	0	0	0	112.6	A127 T129 E133 M134 L340	A127-A131 PolarHBondContact O-N 3.21Å; T129-A131 VanDerWaalsContact C-N 3.31Å; T129-A131 PolarHBondContact O-N 3.14Å; A131-E133 VanDerWaalsContact C-N 3.27Å; A131-E133 PolarHBondContact O-N 3.14Å; A131-M134 PolarHBondContact O-N 2.87Å; A131-L340 HydrophobicContact CB-CD2 3.99Å
132	I	43.8	Very low	47.3	Very low	129 Å²	129	80.3 Å²	80.3	66%	0.662	47%	0.473	S	S	*	.	H	α-helix	trans	-63.9	-35	177.5	-63.3	169.7	0	0	0	110.8	A128 T129 A130	A128-I132 WeakPolarHBondContact O-CG1 3.19Å; T129-I132 PolarHBondContact O-N 3.34Å; A130-I132 VanDerWaalsContact C-N 3.3Å; A130-I132 PolarHBondContact O-N 2.88Å
133	E	38.1	Very low	45.4	Very low	106 Å²	106	83.2 Å²	83.2	50%	0.495	49%	0.494	S	S	.	.	H	α-helix	trans	-79.1	-28.5	-178.1	-65.2	-172.5	167.8	0	0	113.2	A130 A131 G135	A130-E133 PolarHBondContact O-N 2.99Å; A131-E133 VanDerWaalsContact C-N 3.27Å; A131-E133 PolarHBondContact O-N 3.14Å; E133-G135 PolarHBondContact O-N 3.21Å
134	M	38.6	Very low	43.6	Very low	134 Å²	134	87.4 Å²	87.4	66%	0.66	52%	0.521	S	S	*	.	H	α-helix	trans	-73.1	-10.2	176.3	-68.5	-152.7	-69.1	0	0	113.9	A130 A131 S136 L340	A130-M134 PolarHBondContact O-N 3.42Å; A131-M134 PolarHBondContact O-N 2.87Å; M134-S136 PolarHBondContact O-N 3.39Å; M134-L340 HydrophobicContact CE-CB 4.49Å; M134-L340 HydrophobicContact CE-CD2 4.33Å
135	G	40	Very low	41.7	Very low	73 Å²	73	90.8 Å²	90.8	75%	0.753	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-10.6	175.7	0	0	0	0	0	114.9	E133	E133-G135 PolarHBondContact O-N 3.21Å
136	S	42.9	Very low	40	Very low	102 Å²	102	95.4 Å²	95.4	71%	0.713	57%	0.569	S	S	*	*	S	Bend	trans	-108.9	97.9	179.1	-158.2	0	0	0	0	109.9	M134 D138	M134-S136 PolarHBondContact O-N 3.39Å; S136-D138 PolarHBondContact O-N 2.63Å
137	G	39.6	Very low	39.2	Very low	83 Å²	83	95.1 Å²	95.1	86%	0.856	57%	0.565	S	S	*	*			trans	-59.2	105.6	-179.7	0	0	0	0	0	112.9
138	D	44	Very low	38.7	Very low	129 Å²	129	99.3 Å²	99.3	69%	0.69	58%	0.583	S	S	*	*			trans	-148.1	135.4	148.8	-158.2	5.2	0	0	0	108.7	S136 H140	S136-D138 PolarHBondContact O-N 2.63Å; D138-H140 PolarHBondContact O-N 2.73Å; D138-H140 IonicContact OD2-CD2 3.34Å
139	G	39	Very low	39	Very low	78 Å²	78	99.8 Å²	99.8	80%	0.804	58%	0.582	S	S	*	*			trans	-71	30.7	-162.6	0	0	0	0	0	116
140	H	35.1	Very low	40.2	Very low	152 Å²	152	98.1 Å²	98.1	70%	0.704	57%	0.572	S	S	*	*			trans	-97	107.9	178.3	-66.8	-51.6	0	0	0	110	D138 R142	D138-H140 PolarHBondContact O-N 2.73Å; D138-H140 IonicContact OD2-CD2 3.34Å; H140-R142 PolarHBondContact O-N 2.49Å
141	Y	34	Very low	41.4	Very low	240 Å²	240	98.4 Å²	98.4	94%	0.941	57%	0.572	S	S	*	*			trans	-64.2	74.1	173	-146.2	-92.3	0	0	0	109.6
142	R	26.8	Very low	42.8	Very low	193 Å²	193	97.3 Å²	97.3	73%	0.728	56%	0.558	S	S	*	*			trans	-85.8	124.8	171.9	-160.8	174.8	-170	168.9	1.2	107	H140	H140-R142 PolarHBondContact O-N 2.49Å
143	P	28.6	Very low	44	Very low	98 Å²	98	91.2 Å²	91.2	64%	0.636	53%	0.527	S	S	*	.			trans	-56.2	135.2	173.7	23.3	-31.4	0	0	0	108.2	I145	P143-I145 PolarHBondContact O-N 2.85Å
144	P	30.9	Very low	45.5	Very low	92 Å²	92	88.4 Å²	88.4	60%	0.597	51%	0.514	S	S	*	.			trans	-57.6	112.8	-179.1	23.8	-32	0	0	0	107.1	A130	A130-P144 HydrophobicContact CB-CB 3.93Å
145	I	28	Very low	47	Very low	85 Å²	85	82.5 Å²	82.5	44%	0.436	49%	0.486	S	S	.	.			trans	-60.6	127.9	173.8	-61.7	169.2	0	0	0	104.5	P143 T147	P143-I145 PolarHBondContact O-N 2.85Å; I145-T147 VanDerWaalsContact C-N 3.29Å; I145-T147 WeakPolarHBondContact O-CG2 3.3Å; I145-T147 PolarHBondContact O-N 3.08Å; I145-T147 PolarHBondContact O-OG1 3.12Å
146	P	30.4	Very low	48.5	Very low	108 Å²	108	80.8 Å²	80.8	70%	0.701	46%	0.459	S	S	*	.			trans	-58.7	101.3	175.7	22.8	-31.2	0	0	0	107.2	I148	P146-I148 PolarHBondContact O-N 2.94Å; P146-I148 VanDerWaalsContact O-N 3.13Å
147	T	43.5	Very low	49.8	Very low	24 Å²	24	81.5 Å²	81.5	15%	0.147	45%	0.446	C	S	.	.			trans	-86.5	97.5	-164.5	15.7	0	0	0	0	105.6	T129 I145	T129-T147 WeakPolarHBondContact CB-OG1 3.39Å; T129-T147 WeakPolarHBondContact OG1-CB 3.37Å; T129-T147 PolarHBondContact OG1-O 3.29Å; T129-T147 PolarHBondContact OG1-OG1 3.34Å; I145-T147 VanDerWaalsContact C-N 3.29Å; I145-T147 WeakPolarHBondContact O-CG2 3.3Å; I145-T147 PolarHBondContact O-N 3.08Å; I145-T147 PolarHBondContact O-OG1 3.12Å
148	I	46.7	Very low	51	Low	105 Å²	105	78.7 Å²	78.7	54%	0.538	41%	0.411	S	S	.	.			trans	35.8	102.1	172.9	-53.5	168.1	0	0	0	114.2	P146	P146-I148 PolarHBondContact O-N 2.94Å; P146-I148 VanDerWaalsContact O-N 3.13Å
149	P	56.3	Low	52	Low	64 Å²	64	72.8 Å²	72.8	42%	0.416	38%	0.379	S	S	.	.			trans	-56.9	148.5	173.6	21.1	-27.1	0	0	0	110.5	L151 I154	P149-L151 PolarHBondContact O-N 2.84Å; P149-I154 HydrophobicContact CB-CG1 4.22Å; P149-I154 HydrophobicContact CG-CD1 3.88Å; P149-I154 HydrophobicContact CG-CG1 3.86Å
150	C	69.2	Low	53.3	Low	8 Å²	8	73.1 Å²	73.1	5%	0.054	37%	0.365	C	S	.	.			trans	-47.3	126	176.8	177.9	0	0	0	0	110.6	C104 H121 Y152 L153 I154	C104-C150 HydrophobicContact CB-CB 4.04Å; C104-C150 VanDerWaalsContact CB-SG 3.57Å; C104-C150 VanDerWaalsContact SG-SG 3.66Å; H121-C150 WeakPolarHBondContact NE2-CB 3.32Å; H121-C150 PolarHBondContact NE2-SG 3.43Å; C150-Y152 PolarHBondContact O-N 2.6Å; C150-Y152 VanDerWaalsContact O-N 3.1Å; C150-L153 HydrophobicContact CB-CB 4.42Å; C150-L153 HydrophobicContact CB-CD1 4.05Å; C150-L153 HydrophobicContact CB-CG 4.12Å; C150-L153 WeakPolarHBondContact O-CB 2.87Å; C150-L153 PolarHBondContact O-N 2.95Å; C150-I154 PolarHBondContact O-N 3.4Å; C150-I154 VanDerWaalsContact O-N 3.14Å
151	L	69.4	Low	54.4	Low	19 Å²	19	67.1 Å²	67.1	10%	0.099	34%	0.341	C	S	.	.	H	α-helix	trans	-56.2	-32.6	-176.7	-175	60.1	0	0	0	111.9	L32 A35 Q39 P149 I154 V155	L32-L151 HydrophobicContact CD2-CD1 3.94Å; A35-L151 HydrophobicContact CB-CD2 3.88Å; Q39-L151 HydrophobicContact CB-CD2 4.48Å; P149-L151 PolarHBondContact O-N 2.84Å; L151-I154 HydrophobicContact CD1-CD1 4.34Å; L151-I154 PolarHBondContact O-N 2.91Å; L151-V155 HydrophobicContact CD1-CG2 4.5Å; L151-V155 WeakPolarHBondContact O-CG2 3.37Å; L151-V155 PolarHBondContact O-N 3.44Å
152	Y	72.9	Confident	55.1	Low	21 Å²	21	64.5 Å²	64.5	8%	0.082	34%	0.337	C	S	.	.	H	α-helix	trans	-58.7	-48.5	172.1	175.1	-92.6	0	0	0	112.3	I40 R53 S87 A88 G89 C150 I154 V155 H156	I40-Y152 HydrophobicContact CD1-CD2 3.78Å; R53-Y152 VanDerWaalsContact NH1-CZ 3.33Å; R53-Y152 PolarHBondContact NH1-OH 3.14Å; S87-Y152 WeakPolarHBondContact O-CE1 3.33Å; S87-Y152 PolarHBondContact O-OH 3.3Å; A88-Y152 VanDerWaalsContact C-CE1 3.42Å; A88-Y152 WeakPolarHBondContact O-CE1 3.38Å; G89-Y152 VanDerWaalsContact N-CE1 3.29Å; C150-Y152 PolarHBondContact O-N 2.6Å; C150-Y152 VanDerWaalsContact O-N 3.1Å; Y152-I154 VanDerWaalsContact C-N 3.29Å; Y152-I154 PolarHBondContact O-N 3.29Å; Y152-V155 PolarHBondContact O-N 3.19Å; Y152-H156 HydrophobicContact CD1-CB 4.44Å; Y152-H156 HydrophobicContact CE1-CB 3.98Å; Y152-H156 VanDerWaalsContact O-CB 3.27Å; Y152-H156 WeakPolarHBondContact O-CB 3.21Å; Y152-H156 PolarHBondContact O-N 3.26Å
153	L	70.7	Confident	56	Low	2 Å²	2	59.9 Å²	59.9	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-64.7	-36.7	-179.8	-68.5	174.2	0	0	0	111.6	E118 H121 I122 C150 R157	E118-L153 HydrophobicContact CG-CD2 3.92Å; H121-L153 HydrophobicContact CB-CD1 3.94Å; H121-L153 HydrophobicContact CB-CD2 4.38Å; I122-L153 HydrophobicContact CG1-CD1 3.57Å; C150-L153 HydrophobicContact CB-CB 4.42Å; C150-L153 HydrophobicContact CB-CD1 4.05Å; C150-L153 HydrophobicContact CB-CG 4.12Å; C150-L153 WeakPolarHBondContact O-CB 2.87Å; C150-L153 PolarHBondContact O-N 2.95Å; L153-R157 VanDerWaalsContact O-CB 3.25Å; L153-R157 WeakPolarHBondContact O-CB 3.42Å; L153-R157 VanDerWaalsContact O-CG 3.26Å; L153-R157 WeakPolarHBondContact O-CG 3.46Å; L153-R157 PolarHBondContact O-N 3.4Å
154	I	68.4	Low	56.8	Low	46 Å²	46	55.8 Å²	55.8	24%	0.236	30%	0.299	C	S	.	.	H	α-helix	trans	-59.6	-51.9	173.8	-58.4	174.5	0	0	0	109.4	L32 P149 C150 L151 Y152 R157 L158	L32-I154 HydrophobicContact CD1-CG2 4.36Å; P149-I154 HydrophobicContact CB-CG1 4.22Å; P149-I154 HydrophobicContact CG-CD1 3.88Å; P149-I154 HydrophobicContact CG-CG1 3.86Å; C150-I154 PolarHBondContact O-N 3.4Å; C150-I154 VanDerWaalsContact O-N 3.14Å; L151-I154 HydrophobicContact CD1-CD1 4.34Å; L151-I154 PolarHBondContact O-N 2.91Å; Y152-I154 VanDerWaalsContact C-N 3.29Å; Y152-I154 PolarHBondContact O-N 3.29Å; I154-R157 PolarHBondContact O-N 3.43Å; I154-L158 HydrophobicContact CG2-CD1 4.21Å; I154-L158 WeakPolarHBondContact O-CB 3.33Å; I154-L158 WeakPolarHBondContact O-CG 3.2Å; I154-L158 PolarHBondContact O-N 2.68Å
155	V	69.8	Low	57	Low	11 Å²	11	58.5 Å²	58.5	7%	0.067	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-45.4	-179.6	168.2	0	0	0	0	111.8	L32 V33 L151 Y152 L158 L159	L32-V155 HydrophobicContact CB-CG2 4.38Å; L32-V155 WeakPolarHBondContact O-CG2 3.48Å; V33-V155 HydrophobicContact CB-CG1 4.29Å; V33-V155 HydrophobicContact CG1-CG1 4.34Å; V33-V155 HydrophobicContact CG2-CG1 4.04Å; L151-V155 HydrophobicContact CD1-CG2 4.5Å; L151-V155 WeakPolarHBondContact O-CG2 3.37Å; L151-V155 PolarHBondContact O-N 3.44Å; Y152-V155 PolarHBondContact O-N 3.19Å; V155-L158 WeakPolarHBondContact O-CB 3.14Å; V155-L158 PolarHBondContact O-N 2.87Å; V155-L159 HydrophobicContact CG1-CD1 3.69Å; V155-L159 HydrophobicContact CG1-CG 4.4Å; V155-L159 VanDerWaalsContact O-CG 3.3Å; V155-L159 WeakPolarHBondContact O-CG 3.49Å; V155-L159 PolarHBondContact O-N 2.89Å
156	H	73.1	Confident	57.2	Low	37 Å²	37	57 Å²	57	17%	0.171	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-48.1	178.5	-175.4	-98.7	0	0	0	111.2	S87 Y152 L158 L159 V160	S87-H156 PolarHBondContact O-CD2 3.44Å; S87-H156 PolarHBondContact O-NE2 3.33Å; Y152-H156 HydrophobicContact CD1-CB 4.44Å; Y152-H156 HydrophobicContact CE1-CB 3.98Å; Y152-H156 VanDerWaalsContact O-CB 3.27Å; Y152-H156 WeakPolarHBondContact O-CB 3.21Å; Y152-H156 PolarHBondContact O-N 3.26Å; H156-L158 VanDerWaalsContact C-N 3.29Å; H156-L158 PolarHBondContact O-N 3.29Å; H156-L159 PolarHBondContact O-N 3.34Å; H156-V160 WeakPolarHBondContact O-CB 3.5Å; H156-V160 WeakPolarHBondContact O-CG2 3.42Å; H156-V160 PolarHBondContact O-N 3.39Å
157	R	70.5	Confident	57.6	Low	117 Å²	117	54.9 Å²	54.9	44%	0.442	29%	0.286	S	S	.	.	H	α-helix	trans	-59.2	-40.4	174.6	-76.4	178.9	170.5	-158.1	-14.9	112.1	E118 I122 L153 I154 S161 E329	E118-R157 IonicContact OE1-CZ 2.83Å; E118-R157 IonicContact OE1-NE 2.78Å; E118-R157 PolarHBondContact OE1-NE 3.36Å; E118-R157 IonicContact OE1-NH2 3.87Å; E118-R157 PolarHBondContact OE1-NH2 2.74Å; I122-R157 VanDerWaalsContact CD1-CZ 3.47Å; L153-R157 VanDerWaalsContact O-CB 3.25Å; L153-R157 WeakPolarHBondContact O-CB 3.42Å; L153-R157 VanDerWaalsContact O-CG 3.26Å; L153-R157 WeakPolarHBondContact O-CG 3.46Å; L153-R157 PolarHBondContact O-N 3.4Å; I154-R157 PolarHBondContact O-N 3.43Å; R157-S161 WeakPolarHBondContact O-CB 3.01Å; R157-S161 PolarHBondContact O-N 3.05Å; R157-S161 PolarHBondContact O-OG 2.95Å; R157-E329 IonicContact NH2-OE1 2.73Å
158	L	63.5	Low	57.2	Low	24 Å²	24	60.1 Å²	60.1	13%	0.126	31%	0.307	C	S	.	.	H	α-helix	trans	-62	-43.7	176.6	-75	178.4	0	0	0	112.4	L32 I154 V155 H156 S161 R167	L32-L158 HydrophobicContact CB-CD1 4.02Å; L32-L158 HydrophobicContact CD1-CD1 3.67Å; L32-L158 HydrophobicContact CG-CD1 4.49Å; I154-L158 HydrophobicContact CG2-CD1 4.21Å; I154-L158 WeakPolarHBondContact O-CB 3.33Å; I154-L158 WeakPolarHBondContact O-CG 3.2Å; I154-L158 PolarHBondContact O-N 2.68Å; V155-L158 WeakPolarHBondContact O-CB 3.14Å; V155-L158 PolarHBondContact O-N 2.87Å; H156-L158 VanDerWaalsContact C-N 3.29Å; H156-L158 PolarHBondContact O-N 3.29Å; L158-S161 PolarHBondContact O-OG 2.9Å; L158-R167 VanDerWaalsContact CD2-NH1 3.27Å
159	L	65.3	Low	56.6	Low	4 Å²	4	59.3 Å²	59.3	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-79.8	-28.3	-175.4	-67.9	170.8	0	0	0	113.7	T14 F15 T18 Q20 V33 V155 H156	T14-L159 HydrophobicContact CG2-CD1 3.5Å; T14-L159 VanDerWaalsContact CG2-CD1 3.5Å; F15-L159 HydrophobicContact CE1-CD2 4.29Å; T18-L159 HydrophobicContact CG2-CB 3.6Å; T18-L159 HydrophobicContact CG2-CD1 4.18Å; T18-L159 HydrophobicContact CG2-CG 4.38Å; Q20-L159 HydrophobicContact CB-CD2 4.45Å; Q20-L159 WeakPolarHBondContact CG-O 3.37Å; V33-L159 HydrophobicContact CG1-CD1 4.4Å; V33-L159 HydrophobicContact CG2-CD1 4.19Å; V33-L159 HydrophobicContact CG2-CD2 3.87Å; V33-L159 HydrophobicContact CG2-CG 4.07Å; V155-L159 HydrophobicContact CG1-CD1 3.69Å; V155-L159 HydrophobicContact CG1-CG 4.4Å; V155-L159 VanDerWaalsContact O-CG 3.3Å; V155-L159 WeakPolarHBondContact O-CG 3.49Å; V155-L159 PolarHBondContact O-N 2.89Å; H156-L159 PolarHBondContact O-N 3.34Å
160	V	67.2	Low	55.4	Low	85 Å²	85	62 Å²	62	52%	0.515	32%	0.321	S	S	.	.	H	α-helix	trans	-91.2	-24	179.1	178.7	0	0	0	0	112.1	H156 E162	H156-V160 WeakPolarHBondContact O-CB 3.5Å; H156-V160 WeakPolarHBondContact O-CG2 3.42Å; H156-V160 PolarHBondContact O-N 3.39Å; V160-E162 PolarHBondContact O-N 2.75Å
161	S	57.4	Low	53.5	Low	27 Å²	27	67 Å²	67	19%	0.189	35%	0.351	C	S	.	.			trans	-62.6	132.9	-178.7	67.3	0	0	0	0	112.2	R157 L158 I163 P164	R157-S161 WeakPolarHBondContact O-CB 3.01Å; R157-S161 PolarHBondContact O-N 3.05Å; R157-S161 PolarHBondContact O-OG 2.95Å; L158-S161 PolarHBondContact O-OG 2.9Å; S161-I163 PolarHBondContact O-N 2.67Å; S161-I163 VanDerWaalsContact O-N 3.14Å; S161-P164 WeakPolarHBondContact O-CD 3.06Å
162	E	47.9	Very low	51.5	Low	185 Å²	185	71.7 Å²	71.7	86%	0.864	38%	0.383	S	S	*	.	S	Bend	trans	-76.1	14.9	170.2	-60.9	-162.7	175.8	0	0	113.5	V160 P164	V160-E162 PolarHBondContact O-N 2.75Å; E162-P164 WeakPolarHBondContact O-CD 3.46Å
163	I	46.9	Very low	49.5	Very low	95 Å²	95	75.9 Å²	75.9	49%	0.487	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	8.2	178.8	-49.7	170.1	0	0	0	115.3	S161 L165 A166 R167	S161-I163 PolarHBondContact O-N 2.67Å; S161-I163 VanDerWaalsContact O-N 3.14Å; I163-L165 VanDerWaalsContact C-N 3.31Å; I163-L165 PolarHBondContact O-N 3.02Å; I163-A166 HydrophobicContact CG2-CB 4.02Å; I163-A166 PolarHBondContact O-N 3.06Å; I163-R167 PolarHBondContact O-N 3.04Å
164	P	44	Very low	47.4	Very low	13 Å²	13	78.4 Å²	78.4	8%	0.084	44%	0.436	C	S	.	.	H	α-helix	trans	-65.1	-35.6	178.4	-9.3	22.8	0	0	0	112.2	S161 E162 A166 R167 K168	S161-P164 WeakPolarHBondContact O-CD 3.06Å; E162-P164 WeakPolarHBondContact O-CD 3.46Å; P164-A166 PolarHBondContact O-N 3.04Å; P164-R167 PolarHBondContact O-N 3.49Å; P164-K168 PolarHBondContact O-N 3.15Å; P164-K168 VanDerWaalsContact O-N 3.15Å
165	L	35	Very low	45.5	Very low	148 Å²	148	85.3 Å²	85.3	78%	0.775	47%	0.468	S	S	*	.	H	α-helix	trans	-60.1	-34.6	179.9	-96.1	79	0	0	0	111.7	I163	I163-L165 VanDerWaalsContact C-N 3.31Å; I163-L165 PolarHBondContact O-N 3.02Å
166	A	33.6	Very low	43.4	Very low	53 Å²	53	90 Å²	90	44%	0.438	50%	0.496	S	S	.	.	H	α-helix	trans	-75.4	-33.6	176.3	0	0	0	0	0	112.2	I163 P164 S169 L170	I163-A166 HydrophobicContact CG2-CB 4.02Å; I163-A166 PolarHBondContact O-N 3.06Å; P164-A166 PolarHBondContact O-N 3.04Å; A166-S169 CarbonylContact O-C 3.52Å; A166-S169 PolarHBondContact O-N 3.15Å; A166-S169 VanDerWaalsContact O-N 3.15Å; A166-S169 PolarHBondContact O-OG 3.11Å; A166-L170 PolarHBondContact O-N 2.98Å
167	R	37.3	Very low	41.1	Very low	64 Å²	64	97.1 Å²	97.1	24%	0.242	53%	0.53	C	S	.	.	H	α-helix	trans	-74	-34.3	-176.7	-64.9	-170.8	-162.6	-173.6	8	114.1	S29 L158 I163 P164 S169 L170	S29-R167 PolarHBondContact OG-NH1 3.03Å; S29-R167 VanDerWaalsContact OG-NH1 3.11Å; L158-R167 VanDerWaalsContact CD2-NH1 3.27Å; I163-R167 PolarHBondContact O-N 3.04Å; P164-R167 PolarHBondContact O-N 3.49Å; R167-S169 PolarHBondContact O-N 2.9Å; R167-L170 HydrophobicContact CB-CD1 4.19Å; R167-L170 HydrophobicContact CG-CD1 3.99Å; R167-L170 WeakPolarHBondContact O-CB 3.33Å; R167-L170 PolarHBondContact O-N 2.81Å
168	K	35.9	Very low	39.1	Very low	134 Å²	134	95.3 Å²	95.3	58%	0.583	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.2	169.2	-78.7	177.1	176	166.7	0	112.4	E24 P164	E24-K168 IonicContact OE1-NZ 2.77Å; E24-K168 PolarHBondContact OE1-NZ 3.34Å; P164-K168 PolarHBondContact O-N 3.15Å; P164-K168 VanDerWaalsContact O-N 3.15Å
169	S	34.7	Very low	37.3	Very low	89 Å²	89	98.8 Å²	98.8	62%	0.622	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-1	175.7	82.2	0	0	0	0	115.1	A166 R167 V171	A166-S169 CarbonylContact O-C 3.52Å; A166-S169 PolarHBondContact O-N 3.15Å; A166-S169 VanDerWaalsContact O-N 3.15Å; A166-S169 PolarHBondContact O-OG 3.11Å; R167-S169 PolarHBondContact O-N 2.9Å; S169-V171 VanDerWaalsContact C-N 3.29Å; S169-V171 PolarHBondContact O-N 3.04Å
170	L	30.6	Very low	35.5	Very low	119 Å²	119	108.4 Å²	108.4	62%	0.623	59%	0.593	S	S	*	*	S	Bend	trans	-64	102.9	166.1	-75.2	167.9	0	0	0	106.1	A166 R167	A166-L170 PolarHBondContact O-N 2.98Å; R167-L170 HydrophobicContact CB-CD1 4.19Å; R167-L170 HydrophobicContact CG-CD1 3.99Å; R167-L170 WeakPolarHBondContact O-CB 3.33Å; R167-L170 PolarHBondContact O-N 2.81Å
171	V	28.8	Very low	33.6	Very low	113 Å²	113	107.7 Å²	107.7	69%	0.685	60%	0.603	S	S	*	*			trans	-35.9	119.1	173	175.4	0	0	0	0	107.1	S169 V173	S169-V171 VanDerWaalsContact C-N 3.29Å; S169-V171 PolarHBondContact O-N 3.04Å; V171-V173 WeakPolarHBondContact O-CA 3.48Å; V171-V173 PolarHBondContact O-N 3.36Å
172	P	28.9	Very low	32	Very low	119 Å²	119	112 Å²	112	77%	0.773	62%	0.623	S	S	*	*			trans	-50.9	115.1	178.7	17.8	-28.9	0	0	0	105.8	G174	P172-G174 WeakPolarHBondContact O-CA 3.37Å; P172-G174 PolarHBondContact O-N 3.1Å
173	V	29.9	Very low	30.8	Very low	109 Å²	109	109.2 Å²	109.2	66%	0.661	62%	0.621	S	S	*	*			trans	-40.2	92.4	-161.1	175.6	0	0	0	0	109.8	V171 Q175 T176	V171-V173 WeakPolarHBondContact O-CA 3.48Å; V171-V173 PolarHBondContact O-N 3.36Å; V173-Q175 PolarHBondContact O-N 2.76Å; V173-T176 HydrophobicContact CG1-CG2 3.93Å; V173-T176 WeakPolarHBondContact CG1-OG1 3.29Å
174	G	25.8	Very low	29.8	Very low	54 Å²	54	108.3 Å²	108.3	56%	0.557	64%	0.636	S	S	*	*			trans	-74.5	116.1	178.2	0	0	0	0	0	104.5	P172 T176	P172-G174 WeakPolarHBondContact O-CA 3.37Å; P172-G174 PolarHBondContact O-N 3.1Å; G174-T176 VanDerWaalsContact C-N 3.28Å; G174-T176 PolarHBondContact O-N 2.97Å
175	Q	29.1	Very low	28.9	Very low	192 Å²	192	112.1 Å²	112.1	90%	0.897	66%	0.658	S	S	*	*			trans	13.9	70.7	172.4	-71.3	-175.1	-26.1	0	0	113.2	V173 Q177	V173-Q175 PolarHBondContact O-N 2.76Å; Q175-Q177 PolarHBondContact O-N 3.32Å
176	T	25.2	Very low	28.4	Very low	109 Å²	109	112.9 Å²	112.9	67%	0.669	66%	0.661	S	S	*	*			trans	-61.1	115.3	173.5	30.8	0	0	0	0	106.4	V173 G174 S178	V173-T176 HydrophobicContact CG1-CG2 3.93Å; V173-T176 WeakPolarHBondContact CG1-OG1 3.29Å; G174-T176 VanDerWaalsContact C-N 3.28Å; G174-T176 PolarHBondContact O-N 2.97Å; T176-S178 PolarHBondContact O-N 2.83Å
177	Q	25.1	Very low	28	Very low	186 Å²	186	114.8 Å²	114.8	87%	0.869	67%	0.671	S	S	*	*			trans	-45	114.9	174.5	-66.1	175.8	3.2	0	0	107.3	Q175 V179	Q175-Q177 PolarHBondContact O-N 3.32Å; Q177-V179 PolarHBondContact O-N 2.7Å
178	S	28.2	Very low	27.3	Very low	79 Å²	79	122.8 Å²	122.8	55%	0.552	70%	0.702	S	S	*	*			trans	-43.6	127.7	179.4	-177.9	0	0	0	0	109.4	T176 R180 G181	T176-S178 PolarHBondContact O-N 2.83Å; S178-R180 PolarHBondContact O-N 3.19Å; S178-R180 WeakPolarHBondContact OG-CG 3.24Å; S178-G181 PolarHBondContact O-N 3.21Å
179	V	27.1	Very low	26.7	Very low	97 Å²	97	122 Å²	122	59%	0.588	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-54.3	-5.5	176	176.2	0	0	0	0	112.6	Q177 G181 L182	Q177-V179 PolarHBondContact O-N 2.7Å; V179-G181 PolarHBondContact O-N 2.79Å; V179-L182 HydrophobicContact CG1-CD1 4.2Å; V179-L182 PolarHBondContact O-N 2.78Å; V179-L182 VanDerWaalsContact O-N 3.1Å
180	R	27.3	Very low	26.2	Very low	207 Å²	207	122.9 Å²	122.9	78%	0.781	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-48.1	-18.6	165.2	-81.9	-174.9	178.9	-178.6	1.7	115.4	S178	S178-R180 PolarHBondContact O-N 3.19Å; S178-R180 WeakPolarHBondContact OG-CG 3.24Å
181	G	26.3	Very low	25.8	Very low	70 Å²	70	122.5 Å²	122.5	72%	0.722	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-84.4	-12.3	177.7	0	0	0	0	0	116	S178 V179	S178-G181 PolarHBondContact O-N 3.21Å; V179-G181 PolarHBondContact O-N 2.79Å
182	L	23.5	Very low	25.4	Very low	116 Å²	116	125 Å²	125	61%	0.607	72%	0.718	S	S	*	*	S	Bend	trans	-82.6	126.7	-175.5	-88.6	157.8	0	0	0	111.6	V179 G184 V185	V179-L182 HydrophobicContact CG1-CD1 4.2Å; V179-L182 PolarHBondContact O-N 2.78Å; V179-L182 VanDerWaalsContact O-N 3.1Å; L182-G184 PolarHBondContact O-N 3.02Å; L182-V185 HydrophobicContact CB-CG2 4.46Å
183	P	24	Very low	25.2	Very low	127 Å²	127	128.4 Å²	128.4	83%	0.825	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	132.6	176.5	-17.9	29.1	0	0	0	110.9
184	G	26.2	Very low	24.9	Very low	77 Å²	77	129.4 Å²	129.4	79%	0.794	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	100.9	-5	172.8	0	0	0	0	0	116.2	L182 I186	L182-G184 PolarHBondContact O-N 3.02Å; G184-I186 PolarHBondContact O-N 3.41Å
185	V	25	Very low	24.8	Very low	92 Å²	92	133.1 Å²	133.1	56%	0.558	73%	0.734	S	S	*	*			trans	-82.1	102.1	173.4	-175.3	0	0	0	0	109.7	L182 S187	L182-V185 HydrophobicContact CB-CG2 4.46Å; V185-S187 PolarHBondContact O-N 3.38Å; V185-S187 VanDerWaalsContact O-N 3.1Å
186	I	23.8	Very low	24.6	Very low	164 Å²	164	131.5 Å²	131.5	84%	0.841	73%	0.727	S	S	*	*			trans	-68.2	107.4	176.2	-56.6	172.9	0	0	0	108.2	G184	G184-I186 PolarHBondContact O-N 3.41Å
187	S	25.1	Very low	24.7	Very low	93 Å²	93	131.1 Å²	131.1	65%	0.65	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-65.2	135	174.6	-65.9	0	0	0	0	110.3	V185	V185-S187 PolarHBondContact O-N 3.38Å; V185-S187 VanDerWaalsContact O-N 3.1Å
188	R	23.1	Very low	24.7	Very low	233 Å²	233	127.6 Å²	127.6	88%	0.879	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-66.9	148	170.2	-135.9	-178.8	176.8	172.8	-1	109.6	V190	R188-V190 PolarHBondContact O-N 3.13Å
189	P	22.3	Very low	24.7	Very low	117 Å²	117	132.6 Å²	132.6	76%	0.76	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-61.9	124.4	-175.6	-19.6	32.6	0	0	0	111	V191	P189-V191 PolarHBondContact O-N 3.19Å
190	V	24.3	Very low	24.6	Very low	108 Å²	108	134.9 Å²	134.9	66%	0.655	75%	0.748	S	S	*	*			trans	-71.6	111.7	172.4	175.2	0	0	0	0	107.6	R188 H192	R188-V190 PolarHBondContact O-N 3.13Å; V190-H192 PolarHBondContact O-N 2.75Å
191	V	22.7	Very low	24.7	Very low	111 Å²	111	130 Å²	130	67%	0.673	75%	0.746	S	S	*	*			trans	-76	110.4	168.2	-179.7	0	0	0	0	107.2	P189 F193	P189-V191 PolarHBondContact O-N 3.19Å; V191-F193 HydrophobicContact CG1-CD2 4.46Å; V191-F193 HydrophobicContact CG1-CE2 3.98Å; V191-F193 HydrophobicContact CG1-CZ 4.24Å; V191-F193 PolarHBondContact O-N 2.93Å
192	H	21.2	Very low	24.9	Very low	164 Å²	164	130.9 Å²	130.9	76%	0.759	74%	0.741	S	S	*	*			trans	-67.8	108.1	177.2	-78.1	-89.6	0	0	0	110.1	V190	V190-H192 PolarHBondContact O-N 2.75Å
193	F	24.3	Very low	25.5	Very low	192 Å²	192	127.8 Å²	127.8	84%	0.842	73%	0.728	S	S	*	*			trans	-91.2	110	160	-73.7	-75.6	0	0	0	108.7	V191 D195	V191-F193 HydrophobicContact CG1-CD2 4.46Å; V191-F193 HydrophobicContact CG1-CE2 3.98Å; V191-F193 HydrophobicContact CG1-CZ 4.24Å; V191-F193 PolarHBondContact O-N 2.93Å; F193-D195 PolarHBondContact O-N 3.3Å
194	T	23.8	Very low	26.3	Very low	129 Å²	129	128.8 Å²	128.8	79%	0.791	72%	0.722	S	S	*	*			trans	-73.1	110.5	171.6	46.4	0	0	0	0	109.9
195	D	24.3	Very low	27.2	Very low	132 Å²	132	128.4 Å²	128.4	71%	0.706	70%	0.697	S	S	*	*				89.3	137.5	120.2	-139.4	17.3	0	0	0	119.7	F193	F193-D195 PolarHBondContact O-N 3.3Å
196	Q	23.8	Very low	28.4	Very low	158 Å²	158	128.2 Å²	128.2	74%	0.738	70%	0.698	S	S	*	*			trans	76.3	87.1	156	-41.3	-170.4	17.5	0	0	119.3
197	S	27	Very low	29.9	Very low	102 Å²	102	120.9 Å²	120.9	71%	0.713	66%	0.661	S	S	*	*				167.1	100.4	119.1	44.8	0	0	0	0	110.7
198	S	26.2	Very low	31.4	Very low	112 Å²	112	116.5 Å²	116.5	78%	0.783	63%	0.63	S	S	*	*			trans	30.3	125.7	130.9	-17	0	0	0	0	118.6
199	Q	26.6	Very low	33.1	Very low	184 Å²	184	106 Å²	106	86%	0.86	59%	0.593	S	S	*	*			trans	87.9	61.3	171.3	-48.1	-163.5	21.5	0	0	115.3	S201	Q199-S201 PolarHBondContact O-N 3.29Å
200	N	25	Very low	35.2	Very low	144 Å²	144	103.1 Å²	103.1	77%	0.77	57%	0.571	S	S	*	*			trans	-68.4	80.8	157.1	-70.8	-24.1	0	0	0	109.1	S202	N200-S202 VanDerWaalsContact C-N 3.26Å; N200-S202 PolarHBondContact O-N 2.76Å
201	S	29.8	Very low	37	Very low	106 Å²	106	99.3 Å²	99.3	74%	0.741	55%	0.545	S	S	*	.			trans	-66.4	98.5	153.4	54	0	0	0	0	105.8	Q199 C203	Q199-S201 PolarHBondContact O-N 3.29Å; S201-C203 VanDerWaalsContact C-N 3.27Å; S201-C203 PolarHBondContact O-N 3.01Å
202	S	31	Very low	39	Very low	87 Å²	87	94.2 Å²	94.2	61%	0.608	51%	0.514	S	S	*	.			trans	-52.3	95.5	168.5	46.7	0	0	0	0	107.7	N200 E204	N200-S202 VanDerWaalsContact C-N 3.26Å; N200-S202 PolarHBondContact O-N 2.76Å; S202-E204 PolarHBondContact O-N 2.8Å
203	C	36.6	Very low	41.2	Very low	52 Å²	52	92.1 Å²	92.1	35%	0.351	50%	0.5	S	S	.	.			trans	-74.9	71.1	171.1	-166.1	0	0	0	0	106.1	S201 Y205 I264	S201-C203 VanDerWaalsContact C-N 3.27Å; S201-C203 PolarHBondContact O-N 3.01Å; C203-Y205 PolarHBondContact O-N 3.38Å; C203-I264 HydrophobicContact CB-CD1 4.12Å
204	E	39.9	Very low	43.3	Very low	148 Å²	148	83.5 Å²	83.5	69%	0.692	47%	0.465	S	S	*	.			trans	-64.6	124.8	164.6	-74.3	176.9	159	0	0	105.5	S202 P206	S202-E204 PolarHBondContact O-N 2.8Å; E204-P206 WeakPolarHBondContact O-CD 3.44Å
205	Y	46.4	Very low	45.4	Very low	68 Å²	68	77.4 Å²	77.4	27%	0.267	43%	0.427	S	S	.	.			trans	-93.4	84	161.8	-64.7	-71.6	0	0	0	105.4	C203 S207 D210 A214 C261 I264	C203-Y205 PolarHBondContact O-N 3.38Å; Y205-S207 VanDerWaalsContact C-N 3.29Å; Y205-S207 PolarHBondContact O-N 3.03Å; Y205-D210 HydrophobicContact CD1-CB 3.88Å; Y205-D210 HydrophobicContact CG-CB 4.23Å; Y205-A214 HydrophobicContact CE1-CB 4.46Å; Y205-A214 HydrophobicContact CE2-CB 4.41Å; Y205-C261 HydrophobicContact CD2-CB 4.29Å; Y205-I264 HydrophobicContact CE2-CG1 4.45Å
206	P	48.9	Very low	47.4	Very low	89 Å²	89	71.2 Å²	71.2	58%	0.578	39%	0.394	S	S	*	.			trans	-67	-33.1	-168.4	27.3	-36.8	0	0	0	111.9	E204 D210	E204-P206 WeakPolarHBondContact O-CD 3.44Å; P206-D210 WeakPolarHBondContact CD-OD2 3.31Å
207	S	55.3	Low	49.6	Very low	9 Å²	9	68.7 Å²	68.7	6%	0.063	38%	0.382	C	S	.	.	S	Bend	trans	-97.8	156	-173.9	75.6	0	0	0	0	113	Y205 A209 D210 R211	Y205-S207 VanDerWaalsContact C-N 3.29Å; Y205-S207 PolarHBondContact O-N 3.03Å; S207-A209 PolarHBondContact O-N 3.26Å; S207-D210 WeakPolarHBondContact CB-OD2 3.22Å; S207-D210 PolarHBondContact N-OD2 3.32Å; S207-D210 WeakPolarHBondContact O-CB 3.38Å; S207-D210 PolarHBondContact O-N 3.44Å; S207-D210 PolarHBondContact OG-N 3.29Å; S207-D210 PolarHBondContact OG-OD2 3.02Å; S207-R211 PolarHBondContact O-N 3.14Å
208	L	55.9	Low	51.6	Low	2 Å²	2	65.1 Å²	65.1	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-56.3	-42	168.7	172.7	58.5	0	0	0	111.3	Y27 A30 T31 D210 R211 L212 W384	Y27-L208 HydrophobicContact CD1-CB 3.5Å; Y27-L208 HydrophobicContact CE1-CB 4.26Å; Y27-L208 HydrophobicContact CG-CB 4.26Å; A30-L208 HydrophobicContact CB-CD2 3.49Å; A30-L208 VanDerWaalsContact CB-CD2 3.49Å; T31-L208 WeakPolarHBondContact OG1-CD1 3.5Å; L208-D210 PolarHBondContact O-N 3.36Å; L208-R211 PolarHBondContact O-N 2.88Å; L208-R211 VanDerWaalsContact O-N 3.09Å; L208-L212 HydrophobicContact CD1-CD1 3.78Å; L208-L212 HydrophobicContact CD1-CD2 4.14Å; L208-L212 HydrophobicContact CD1-CG 3.71Å; L208-L212 HydrophobicContact CD2-CD1 4.29Å; L208-L212 HydrophobicContact CG-CD1 3.6Å; L208-L212 HydrophobicContact CG-CG 4.08Å; L208-L212 WeakPolarHBondContact O-CB 3.44Å; L208-L212 VanDerWaalsContact O-CG 3.24Å; L208-L212 WeakPolarHBondContact O-CG 3.38Å; L208-L212 PolarHBondContact O-N 3.26Å; L208-W384 HydrophobicContact CD2-CE3 4.38Å
209	A	60.2	Low	53.7	Low	11 Å²	11	60.2 Å²	60.2	9%	0.091	32%	0.319	C	S	.	.	H	α-helix	trans	-53.4	-45.9	176	0	0	0	0	0	110.9	S207 R211 L212 Y213 S381 W384	S207-A209 PolarHBondContact O-N 3.26Å; A209-R211 PolarHBondContact O-N 2.98Å; A209-L212 PolarHBondContact O-N 3.3Å; A209-Y213 WeakPolarHBondContact O-CB 3.46Å; A209-Y213 PolarHBondContact O-N 3.17Å; A209-S381 VanDerWaalsContact CB-O 3.27Å; A209-S381 WeakPolarHBondContact CB-O 3.48Å; A209-S381 WeakPolarHBondContact O-CB 3.02Å; A209-W384 HydrophobicContact CB-CB 4.35Å
210	D	65.3	Low	55.6	Low	57 Å²	57	54.6 Å²	54.6	31%	0.305	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-38	178.5	-62.3	-39.1	0	0	0	112.9	Y205 P206 S207 L208 A214	Y205-D210 HydrophobicContact CD1-CB 3.88Å; Y205-D210 HydrophobicContact CG-CB 4.23Å; P206-D210 WeakPolarHBondContact CD-OD2 3.31Å; S207-D210 WeakPolarHBondContact CB-OD2 3.22Å; S207-D210 PolarHBondContact N-OD2 3.32Å; S207-D210 WeakPolarHBondContact O-CB 3.38Å; S207-D210 PolarHBondContact O-N 3.44Å; S207-D210 PolarHBondContact OG-N 3.29Å; S207-D210 PolarHBondContact OG-OD2 3.02Å; L208-D210 PolarHBondContact O-N 3.36Å; D210-A214 WeakPolarHBondContact O-CB 3.44Å; D210-A214 PolarHBondContact O-N 3.43Å
211	R	62.8	Low	57.5	Low	29 Å²	29	48.9 Å²	48.9	11%	0.109	27%	0.271	C	S	.	.	H	α-helix	trans	-69	-45.8	178.1	-65	179.7	-167.8	-162.6	-0.7	112.5	S207 L208 A209 Y213 A214 I215 L259	S207-R211 PolarHBondContact O-N 3.14Å; L208-R211 PolarHBondContact O-N 2.88Å; L208-R211 VanDerWaalsContact O-N 3.09Å; A209-R211 PolarHBondContact O-N 2.98Å; R211-Y213 VanDerWaalsContact C-N 3.28Å; R211-A214 WeakPolarHBondContact O-CB 3.44Å; R211-A214 PolarHBondContact O-N 3.49Å; R211-I215 WeakPolarHBondContact O-CG1 3.36Å; R211-I215 PolarHBondContact O-N 2.82Å; R211-L259 PolarHBondContact NH2-O 2.79Å
212	L	65.1	Low	58.7	Low	3 Å²	3	49.3 Å²	49.3	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-41.5	176	-65.5	166.6	0	0	0	110.2	L34 L208 A209 A214 I215 A216 L377 W380	L34-L212 HydrophobicContact CD2-CD2 3.38Å; L208-L212 HydrophobicContact CD1-CD1 3.78Å; L208-L212 HydrophobicContact CD1-CD2 4.14Å; L208-L212 HydrophobicContact CD1-CG 3.71Å; L208-L212 HydrophobicContact CD2-CD1 4.29Å; L208-L212 HydrophobicContact CG-CD1 3.6Å; L208-L212 HydrophobicContact CG-CG 4.08Å; L208-L212 WeakPolarHBondContact O-CB 3.44Å; L208-L212 VanDerWaalsContact O-CG 3.24Å; L208-L212 WeakPolarHBondContact O-CG 3.38Å; L208-L212 PolarHBondContact O-N 3.26Å; A209-L212 PolarHBondContact O-N 3.3Å; L212-A214 VanDerWaalsContact C-N 3.33Å; L212-I215 PolarHBondContact O-N 3.35Å; L212-A216 WeakPolarHBondContact O-CB 3.37Å; L212-A216 PolarHBondContact O-N 3.45Å; L212-L377 HydrophobicContact CD2-CD2 3.59Å; L212-W380 HydrophobicContact CD1-CG 4.26Å
213	Y	66.5	Low	59.6	Low	121 Å²	121	50.7 Å²	50.7	48%	0.475	28%	0.281	S	S	.	.	H	α-helix	trans	-61.3	-41.9	173.5	-174.3	-94.2	0	0	0	111.1	A209 R211 A216 H217	A209-Y213 WeakPolarHBondContact O-CB 3.46Å; A209-Y213 PolarHBondContact O-N 3.17Å; R211-Y213 VanDerWaalsContact C-N 3.28Å; Y213-A216 PolarHBondContact O-N 3.26Å; Y213-H217 VanDerWaalsContact O-CB 3.23Å; Y213-H217 WeakPolarHBondContact O-CB 3.47Å; Y213-H217 PolarHBondContact O-N 3.13Å
214	A	68	Low	60.1	Low	11 Å²	11	48.9 Å²	48.9	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-45.1	174.3	0	0	0	0	0	112.1	Y205 D210 R211 L212 A216 H217 M218	Y205-A214 HydrophobicContact CE1-CB 4.46Å; Y205-A214 HydrophobicContact CE2-CB 4.41Å; D210-A214 WeakPolarHBondContact O-CB 3.44Å; D210-A214 PolarHBondContact O-N 3.43Å; R211-A214 WeakPolarHBondContact O-CB 3.44Å; R211-A214 PolarHBondContact O-N 3.49Å; L212-A214 VanDerWaalsContact C-N 3.33Å; A214-A216 VanDerWaalsContact C-N 3.34Å; A214-A216 PolarHBondContact O-N 3.38Å; A214-H217 PolarHBondContact O-N 3.37Å; A214-M218 WeakPolarHBondContact O-CB 3.46Å; A214-M218 WeakPolarHBondContact O-CG 3.43Å; A214-M218 PolarHBondContact O-N 3.1Å
215	I	68.1	Low	60.6	Low	1 Å²	1	45 Å²	45	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-48.3	173.4	-63.6	174.5	0	0	0	110.2	R211 L212 H217 M218 M219 V244 L247 Q251 L377	R211-I215 WeakPolarHBondContact O-CG1 3.36Å; R211-I215 PolarHBondContact O-N 2.82Å; L212-I215 PolarHBondContact O-N 3.35Å; I215-H217 VanDerWaalsContact C-N 3.3Å; I215-H217 PolarHBondContact O-N 3.15Å; I215-M218 HydrophobicContact CB-CE 4.38Å; I215-M218 HydrophobicContact CG1-CE 4.08Å; I215-M218 PolarHBondContact O-N 2.89Å; I215-M219 HydrophobicContact CG2-CG 4.4Å; I215-M219 VanDerWaalsContact O-CG 3.22Å; I215-M219 WeakPolarHBondContact O-CG 3.36Å; I215-M219 PolarHBondContact O-N 3.39Å; I215-V244 HydrophobicContact CG2-CG2 4.49Å; I215-L247 HydrophobicContact CG2-CD1 4.18Å; I215-Q251 VanDerWaalsContact CG1-NE2 3.34Å; I215-L377 HydrophobicContact CB-CD1 4.09Å; I215-L377 HydrophobicContact CG2-CD1 3.49Å; I215-L377 VanDerWaalsContact CG2-CD1 3.49Å
216	A	67.6	Low	60.6	Low	2 Å²	2	51.4 Å²	51.4	2%	0.017	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-38.8	178.6	0	0	0	0	0	112.5	L212 Y213 A214 M219 T220 L377 V378	L212-A216 WeakPolarHBondContact O-CB 3.37Å; L212-A216 PolarHBondContact O-N 3.45Å; Y213-A216 PolarHBondContact O-N 3.26Å; A214-A216 VanDerWaalsContact C-N 3.34Å; A214-A216 PolarHBondContact O-N 3.38Å; A216-M219 PolarHBondContact O-N 3.05Å; A216-T220 WeakPolarHBondContact O-CB 3.48Å; A216-T220 WeakPolarHBondContact O-CG2 3.44Å; A216-T220 PolarHBondContact O-N 3.23Å; A216-T220 VanDerWaalsContact O-N 3.08Å; A216-T220 PolarHBondContact O-OG1 3.37Å; A216-L377 HydrophobicContact CB-CB 4.04Å; A216-V378 HydrophobicContact CB-CG2 3.57Å
217	H	70.2	Confident	60.5	Low	104 Å²	104	49.7 Å²	49.7	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-66.2	-44.1	176.3	-170.5	68	0	0	0	110.9	Y213 A214 I215 M219 T220 A221	Y213-H217 VanDerWaalsContact O-CB 3.23Å; Y213-H217 WeakPolarHBondContact O-CB 3.47Å; Y213-H217 PolarHBondContact O-N 3.13Å; A214-H217 PolarHBondContact O-N 3.37Å; I215-H217 VanDerWaalsContact C-N 3.3Å; I215-H217 PolarHBondContact O-N 3.15Å; H217-M219 PolarHBondContact O-N 2.83Å; H217-T220 WeakPolarHBondContact CA-OG1 3.35Å; H217-T220 CarbonylContact O-C 3.6Å; H217-T220 PolarHBondContact O-N 3.48Å; H217-T220 PolarHBondContact O-OG1 2.94Å; H217-A221 VanDerWaalsContact O-CB 3.27Å; H217-A221 WeakPolarHBondContact O-CB 3.3Å; H217-A221 PolarHBondContact O-N 3.42Å
218	M	67.6	Low	60.2	Low	28 Å²	28	50.5 Å²	50.5	14%	0.138	29%	0.289	C	S	.	.	H	α-helix	trans	-63	-31.4	175.6	-68	174.9	-40.3	0	0	112.2	A214 I215 W228 I267	A214-M218 WeakPolarHBondContact O-CB 3.46Å; A214-M218 WeakPolarHBondContact O-CG 3.43Å; A214-M218 PolarHBondContact O-N 3.1Å; I215-M218 HydrophobicContact CB-CE 4.38Å; I215-M218 HydrophobicContact CG1-CE 4.08Å; I215-M218 PolarHBondContact O-N 2.89Å; M218-W228 HydrophobicContact CB-CE3 4.23Å; M218-W228 HydrophobicContact CB-CH2 3.81Å; M218-W228 HydrophobicContact CB-CZ2 4.38Å; M218-W228 HydrophobicContact CB-CZ3 3.67Å; M218-W228 HydrophobicContact CE-CH2 3.8Å; M218-W228 HydrophobicContact CE-CZ3 4.41Å; M218-W228 HydrophobicContact CG-CH2 3.59Å; M218-W228 HydrophobicContact CG-CZ2 3.8Å; M218-W228 HydrophobicContact CG-CZ3 4Å; M218-W228 HydrophobicContact SD-CH2 3.01Å; M218-W228 WeakPolarHBondContact SD-CH2 3.46Å; M218-W228 HydrophobicContact SD-CZ2 3.33Å; M218-W228 WeakPolarHBondContact SD-CZ2 3.17Å; M218-W228 HydrophobicContact SD-CZ3 3.92Å; M218-I267 HydrophobicContact SD-CD1 4.35Å
219	M	70	Confident	60.2	Low	8 Å²	8	52.1 Å²	52.1	4%	0.039	30%	0.3	C	S	.	.	H	α-helix	trans	-73.5	-26.7	173.8	-69.6	-71.5	-70.7	0	0	113.4	I215 A216 H217 V230 R234 D240 I243 V244 L247	I215-M219 HydrophobicContact CG2-CG 4.4Å; I215-M219 VanDerWaalsContact O-CG 3.22Å; I215-M219 WeakPolarHBondContact O-CG 3.36Å; I215-M219 PolarHBondContact O-N 3.39Å; A216-M219 PolarHBondContact O-N 3.05Å; H217-M219 PolarHBondContact O-N 2.83Å; M219-V230 HydrophobicContact SD-CG1 4.04Å; M219-V230 HydrophobicContact SD-CG2 4.32Å; M219-R234 PolarHBondContact O-NH2 3.33Å; M219-D240 HydrophobicContact CE-CB 3.61Å; M219-D240 VanDerWaalsContact CE-CG 3.48Å; M219-I243 HydrophobicContact SD-CG2 3.9Å; M219-V244 HydrophobicContact CE-CG2 3.91Å; M219-V244 HydrophobicContact CG-CG2 4.35Å; M219-V244 HydrophobicContact SD-CG2 4.11Å; M219-L247 HydrophobicContact SD-CD1 4.48Å
220	T	68	Low	60.3	Low	66 Å²	66	51.7 Å²	51.7	41%	0.405	30%	0.296	S	S	.	.	H	α-helix	trans	-107.1	-20.2	-172.5	51.2	0	0	0	0	114.8	A216 H217 S222 Y374	A216-T220 WeakPolarHBondContact O-CB 3.48Å; A216-T220 WeakPolarHBondContact O-CG2 3.44Å; A216-T220 PolarHBondContact O-N 3.23Å; A216-T220 VanDerWaalsContact O-N 3.08Å; A216-T220 PolarHBondContact O-OG1 3.37Å; H217-T220 WeakPolarHBondContact CA-OG1 3.35Å; H217-T220 CarbonylContact O-C 3.6Å; H217-T220 PolarHBondContact O-N 3.48Å; H217-T220 PolarHBondContact O-OG1 2.94Å; T220-S222 PolarHBondContact O-N 3.23Å; T220-Y374 HydrophobicContact CG2-CD1 4.18Å; T220-Y374 HydrophobicContact CG2-CD2 3.23Å; T220-Y374 HydrophobicContact CG2-CE1 4.29Å; T220-Y374 HydrophobicContact CG2-CE2 3.43Å; T220-Y374 VanDerWaalsContact CG2-CE2 3.43Å; T220-Y374 HydrophobicContact CG2-CG 3.65Å
221	A	63.5	Low	60.3	Low	25 Å²	25	53.1 Å²	53.1	21%	0.207	30%	0.301	C	S	.	.			trans	-59.2	125	-176.1	0	0	0	0	0	111.1	H217 A224	H217-A221 VanDerWaalsContact O-CB 3.27Å; H217-A221 WeakPolarHBondContact O-CB 3.3Å; H217-A221 PolarHBondContact O-N 3.42Å; A221-A224 PolarHBondContact O-N 3.47Å
222	S	55.2	Low	60.3	Low	114 Å²	114	55.8 Å²	55.8	80%	0.797	32%	0.318	S	S	*	.	S	Bend	trans	-131.4	128.3	171.3	-174.2	0	0	0	0	108.7	T220	T220-S222 PolarHBondContact O-N 3.23Å
223	P	50.7	Low	60	Low	117 Å²	117	55.8 Å²	55.8	76%	0.76	32%	0.318	S	S	*	.	S	Bend	cis	-62.9	144	-8.4	29.1	-33.4	0	0	0	110.1
224	A	47.8	Very low	59.9	Low	14 Å²	14	54.4 Å²	54.4	12%	0.116	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-56.7	142.4	171.4	0	0	0	0	0	108.1	A221 Q226 W228 E231	A221-A224 PolarHBondContact O-N 3.47Å; A224-Q226 PolarHBondContact O-N 3.06Å; A224-Q226 VanDerWaalsContact O-N 3.09Å; A224-W228 HydrophobicContact CB-CB 4.09Å; A224-E231 HydrophobicContact CB-CG 3.78Å; A224-E231 WeakPolarHBondContact CB-OE1 3.5Å
225	P	48.5	Very low	59.5	Low	66 Å²	66	58.1 Å²	58.1	43%	0.429	34%	0.343	S	S	.	.	S	Bend	trans	-53.6	127.1	175.2	-9.6	19.7	0	0	0	107.4	G227 W228	P225-G227 PolarHBondContact O-N 2.73Å; P225-G227 VanDerWaalsContact O-N 3.16Å; P225-W228 VanDerWaalsContact CB-CD1 3.45Å; P225-W228 HydrophobicContact CB-CG 4.34Å; P225-W228 HydrophobicContact CG-CG 4.08Å; P225-W228 VanDerWaalsContact O-CB 3.26Å; P225-W228 WeakPolarHBondContact O-CB 3.46Å; P225-W228 PolarHBondContact O-N 2.87Å; P225-W228 VanDerWaalsContact O-N 3.09Å
226	Q	46.6	Very low	59.1	Low	203 Å²	203	63.5 Å²	63.5	95%	0.949	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-18.4	107.4	-170.4	-88	155.7	-28.5	0	0	115.3	A224 W228	A224-Q226 PolarHBondContact O-N 3.06Å; A224-Q226 VanDerWaalsContact O-N 3.09Å; Q226-W228 VanDerWaalsContact C-N 3.35Å; Q226-W228 PolarHBondContact O-N 2.83Å
227	G	48.4	Very low	58.5	Low	52 Å²	52	66 Å²	66	54%	0.536	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	29.6	169	0	0	0	0	0	115.1	P225 N232	P225-G227 PolarHBondContact O-N 2.73Å; P225-G227 VanDerWaalsContact O-N 3.16Å; G227-N232 PolarHBondContact O-ND2 3.07Å
228	W	47.3	Very low	57.9	Low	26 Å²	26	62.6 Å²	62.6	10%	0.098	38%	0.381	C	S	.	.			trans	-57.5	149.2	-171.6	-127.4	65.2	0	0	0	114.2	M218 A224 P225 Q226 V230 E231 N232 L247 I267	M218-W228 HydrophobicContact CB-CE3 4.23Å; M218-W228 HydrophobicContact CB-CH2 3.81Å; M218-W228 HydrophobicContact CB-CZ2 4.38Å; M218-W228 HydrophobicContact CB-CZ3 3.67Å; M218-W228 HydrophobicContact CE-CH2 3.8Å; M218-W228 HydrophobicContact CE-CZ3 4.41Å; M218-W228 HydrophobicContact CG-CH2 3.59Å; M218-W228 HydrophobicContact CG-CZ2 3.8Å; M218-W228 HydrophobicContact CG-CZ3 4Å; M218-W228 HydrophobicContact SD-CH2 3.01Å; M218-W228 WeakPolarHBondContact SD-CH2 3.46Å; M218-W228 HydrophobicContact SD-CZ2 3.33Å; M218-W228 WeakPolarHBondContact SD-CZ2 3.17Å; M218-W228 HydrophobicContact SD-CZ3 3.92Å; A224-W228 HydrophobicContact CB-CB 4.09Å; P225-W228 VanDerWaalsContact CB-CD1 3.45Å; P225-W228 HydrophobicContact CB-CG 4.34Å; P225-W228 HydrophobicContact CG-CG 4.08Å; P225-W228 VanDerWaalsContact O-CB 3.26Å; P225-W228 WeakPolarHBondContact O-CB 3.46Å; P225-W228 PolarHBondContact O-N 2.87Å; P225-W228 VanDerWaalsContact O-N 3.09Å; Q226-W228 VanDerWaalsContact C-N 3.35Å; Q226-W228 PolarHBondContact O-N 2.83Å; W228-V230 HydrophobicContact CE3-CB 4Å; W228-V230 HydrophobicContact CE3-CG2 3.46Å; W228-V230 VanDerWaalsContact CE3-CG2 3.46Å; W228-V230 HydrophobicContact CZ3-CG2 3.54Å; W228-V230 PolarHBondContact O-N 3.41Å; W228-E231 PolarHBondContact O-N 2.96Å; W228-N232 PolarHBondContact O-N 3Å; W228-L247 HydrophobicContact CH2-CD2 4.2Å; W228-L247 HydrophobicContact CZ3-CD1 4.46Å; W228-L247 HydrophobicContact CZ3-CD2 3.97Å; W228-I267 HydrophobicContact CH2-CG2 4.38Å; W228-I267 HydrophobicContact CZ2-CD1 4.24Å; W228-I267 HydrophobicContact CZ2-CG2 3.75Å
229	P	57.1	Low	57.9	Low	37 Å²	37	62.3 Å²	62.3	24%	0.24	38%	0.382	C	S	.	.	H	α-helix	trans	-52.5	-30.5	179.2	-27.5	33.4	0	0	0	114.3	A233 I269	P229-A233 WeakPolarHBondContact O-CA 3.3Å; P229-A233 WeakPolarHBondContact O-CB 3.24Å; P229-A233 PolarHBondContact O-N 3.22Å; P229-I269 HydrophobicContact CG-CG2 4.39Å
230	V	62.9	Low	57.8	Low	2 Å²	2	63.1 Å²	63.1	1%	0.012	39%	0.386	C	S	.	.	H	α-helix	trans	-69.1	-48.9	-178.7	172.8	0	0	0	0	111.9	M219 W228 A233 R234 I243 L247	M219-V230 HydrophobicContact SD-CG1 4.04Å; M219-V230 HydrophobicContact SD-CG2 4.32Å; W228-V230 HydrophobicContact CE3-CB 4Å; W228-V230 HydrophobicContact CE3-CG2 3.46Å; W228-V230 VanDerWaalsContact CE3-CG2 3.46Å; W228-V230 HydrophobicContact CZ3-CG2 3.54Å; W228-V230 PolarHBondContact O-N 3.41Å; V230-A233 PolarHBondContact O-N 3.34Å; V230-R234 VanDerWaalsContact CG1-NH2 3.3Å; V230-R234 WeakPolarHBondContact O-CG 3.48Å; V230-R234 PolarHBondContact O-N 3.1Å; V230-I243 HydrophobicContact CB-CG2 4.3Å; V230-I243 HydrophobicContact CG1-CG2 4.21Å; V230-I243 HydrophobicContact CG2-CG2 3.75Å; V230-L247 HydrophobicContact CG2-CD1 3.87Å
231	E	63.8	Low	57.7	Low	87 Å²	87	60.5 Å²	60.5	41%	0.407	37%	0.37	S	S	.	.	H	α-helix	trans	-67	-41.1	178.3	-76.8	-174.7	171.8	0	0	111	A224 W228 A233 R234 A235	A224-E231 HydrophobicContact CB-CG 3.78Å; A224-E231 WeakPolarHBondContact CB-OE1 3.5Å; W228-E231 PolarHBondContact O-N 2.96Å; E231-A233 VanDerWaalsContact C-N 3.34Å; E231-A233 PolarHBondContact O-N 2.91Å; E231-R234 PolarHBondContact O-N 3.19Å; E231-A235 VanDerWaalsContact O-CB 3.3Å; E231-A235 WeakPolarHBondContact O-CB 3.42Å; E231-A235 PolarHBondContact O-N 3.41Å
232	N	63.3	Low	57.7	Low	85 Å²	85	59.8 Å²	59.8	46%	0.455	36%	0.363	S	S	.	.	H	α-helix	trans	-61.3	-43.9	173.8	-67.9	-19.7	0	0	0	111	G227 W228 R234 A235 L236	G227-N232 PolarHBondContact O-ND2 3.07Å; W228-N232 PolarHBondContact O-N 3Å; N232-R234 PolarHBondContact O-N 3.38Å; N232-A235 WeakPolarHBondContact O-CB 3.28Å; N232-A235 PolarHBondContact O-N 3.02Å; N232-L236 WeakPolarHBondContact O-CB 3.29Å; N232-L236 VanDerWaalsContact O-CG 3.26Å; N232-L236 WeakPolarHBondContact O-CG 3.46Å; N232-L236 PolarHBondContact O-N 2.86Å
233	A	59.5	Low	58.3	Low	3 Å²	3	54.6 Å²	54.6	3%	0.025	33%	0.326	C	S	.	.	H	α-helix	trans	-64.1	-41.2	177.6	0	0	0	0	0	112	P229 V230 E231 L236 G237 H238 I243	P229-A233 WeakPolarHBondContact O-CA 3.3Å; P229-A233 WeakPolarHBondContact O-CB 3.24Å; P229-A233 PolarHBondContact O-N 3.22Å; V230-A233 PolarHBondContact O-N 3.34Å; E231-A233 VanDerWaalsContact C-N 3.34Å; E231-A233 PolarHBondContact O-N 2.91Å; A233-L236 CarbonylContact O-C 3.14Å; A233-L236 WeakPolarHBondContact O-CB 3.15Å; A233-L236 PolarHBondContact O-N 3.2Å; A233-G237 PolarHBondContact O-N 3.24Å; A233-H238 HydrophobicContact CB-CB 4.23Å; A233-H238 VanDerWaalsContact O-CB 3.24Å; A233-H238 WeakPolarHBondContact O-CB 3.12Å; A233-H238 PolarHBondContact O-CD2 3.36Å; A233-H238 PolarHBondContact O-N 3.18Å; A233-I243 HydrophobicContact CB-CD1 3.72Å; A233-I243 HydrophobicContact CB-CG1 3.72Å
234	R	64.6	Low	59.2	Low	92 Å²	92	49 Å²	49	35%	0.347	29%	0.29	S	S	.	.	H	α-helix	trans	-63.9	-40.2	172.5	-72.4	-174.9	-160.7	129.4	-0.7	111.9	M219 V230 E231 N232 L236 G237 D240 I243	M219-R234 PolarHBondContact O-NH2 3.33Å; V230-R234 VanDerWaalsContact CG1-NH2 3.3Å; V230-R234 WeakPolarHBondContact O-CG 3.48Å; V230-R234 PolarHBondContact O-N 3.1Å; E231-R234 PolarHBondContact O-N 3.19Å; N232-R234 PolarHBondContact O-N 3.38Å; R234-L236 VanDerWaalsContact C-N 3.26Å; R234-L236 PolarHBondContact O-N 2.9Å; R234-G237 WeakPolarHBondContact O-CA 3.5Å; R234-G237 PolarHBondContact O-N 3.07Å; R234-D240 IonicContact CZ-OD1 3.82Å; R234-D240 IonicContact NE-OD1 2.97Å; R234-D240 PolarHBondContact NE-OD1 2.93Å; R234-D240 IonicContact NH2-OD1 3.75Å; R234-I243 HydrophobicContact CG-CD1 3.58Å
235	A	59.6	Low	59.9	Low	89 Å²	89	49.3 Å²	49.3	74%	0.736	29%	0.289	S	S	*	.	H	α-helix	trans	-65.2	-31.8	176.1	0	0	0	0	0	112	E231 N232 G237	E231-A235 VanDerWaalsContact O-CB 3.3Å; E231-A235 WeakPolarHBondContact O-CB 3.42Å; E231-A235 PolarHBondContact O-N 3.41Å; N232-A235 WeakPolarHBondContact O-CB 3.28Å; N232-A235 PolarHBondContact O-N 3.02Å; A235-G237 PolarHBondContact O-N 3.3Å
236	L	58.7	Low	60.7	Low	113 Å²	113	46.3 Å²	46.3	59%	0.592	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-1.5	169.5	-67.7	172.2	0	0	0	113.2	N232 A233 R234	N232-L236 WeakPolarHBondContact O-CB 3.29Å; N232-L236 VanDerWaalsContact O-CG 3.26Å; N232-L236 WeakPolarHBondContact O-CG 3.46Å; N232-L236 PolarHBondContact O-N 2.86Å; A233-L236 CarbonylContact O-C 3.14Å; A233-L236 WeakPolarHBondContact O-CB 3.15Å; A233-L236 PolarHBondContact O-N 3.2Å; R234-L236 VanDerWaalsContact C-N 3.26Å; R234-L236 PolarHBondContact O-N 2.9Å
237	G	56.4	Low	61.7	Low	55 Å²	55	37 Å²	37	57%	0.567	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	15.1	179.5	0	0	0	0	0	114.2	A233 R234 A235	A233-G237 PolarHBondContact O-N 3.24Å; R234-G237 WeakPolarHBondContact O-CA 3.5Å; R234-G237 PolarHBondContact O-N 3.07Å; A235-G237 PolarHBondContact O-N 3.3Å
238	H	57.4	Low	62.4	Low	32 Å²	32	35 Å²	35	15%	0.148	20%	0.203	C	C	.	.			trans	-71.5	137.6	171.1	-57.1	-45.7	0	0	0	110.2	A233 I243 L282	A233-H238 HydrophobicContact CB-CB 4.23Å; A233-H238 VanDerWaalsContact O-CB 3.24Å; A233-H238 WeakPolarHBondContact O-CB 3.12Å; A233-H238 PolarHBondContact O-CD2 3.36Å; A233-H238 PolarHBondContact O-N 3.18Å; H238-I243 HydrophobicContact CB-CD1 4.38Å; H238-I243 HydrophobicContact CB-CG1 4.08Å; H238-L282 WeakPolarHBondContact CE1-CD1 3.21Å
239	S	66.1	Low	63.1	Low	23 Å²	23	37.3 Å²	37.3	16%	0.161	21%	0.212	C	C	.	.			trans	-78.9	150.8	177.1	52.8	0	0	0	0	110.8	D241 L242 I243	S239-D241 WeakPolarHBondContact CB-OD1 3.41Å; S239-D241 PolarHBondContact O-N 3.24Å; S239-D241 VanDerWaalsContact O-N 3.1Å; S239-D241 PolarHBondContact OG-OD1 3.38Å; S239-L242 PolarHBondContact O-N 2.98Å; S239-I243 WeakPolarHBondContact O-CG1 3.41Å; S239-I243 PolarHBondContact O-N 2.94Å; S239-I243 VanDerWaalsContact O-N 3.12Å
240	D	69.5	Low	63	Low	24 Å²	24	37.1 Å²	37.1	13%	0.128	21%	0.209	C	C	.	.	H	α-helix	trans	-55.8	-30.3	-174.7	-85.1	-11.2	0	0	0	113.1	M219 R234 I243 V244	M219-D240 HydrophobicContact CE-CB 3.61Å; M219-D240 VanDerWaalsContact CE-CG 3.48Å; R234-D240 IonicContact CZ-OD1 3.82Å; R234-D240 IonicContact NE-OD1 2.97Å; R234-D240 PolarHBondContact NE-OD1 2.93Å; R234-D240 IonicContact NH2-OD1 3.75Å; D240-I243 PolarHBondContact O-N 2.55Å; D240-V244 WeakPolarHBondContact O-CB 3.18Å; D240-V244 VanDerWaalsContact O-CG2 3.23Å; D240-V244 WeakPolarHBondContact O-CG2 3.43Å; D240-V244 PolarHBondContact O-N 3.48Å
241	D	64.8	Low	62.6	Low	12 Å²	12	39 Å²	39	6%	0.064	22%	0.217	C	C	.	.	H	α-helix	trans	-66.9	-42.8	175.2	60.2	-49.8	0	0	0	113	S42 S239 I243 V244 L245 L370	S42-D241 WeakPolarHBondContact CB-OD2 3.47Å; S239-D241 WeakPolarHBondContact CB-OD1 3.41Å; S239-D241 PolarHBondContact O-N 3.24Å; S239-D241 VanDerWaalsContact O-N 3.1Å; S239-D241 PolarHBondContact OG-OD1 3.38Å; D241-I243 VanDerWaalsContact C-N 3.31Å; D241-V244 PolarHBondContact O-N 2.82Å; D241-L245 WeakPolarHBondContact O-CB 3.16Å; D241-L245 WeakPolarHBondContact O-CG 3.38Å; D241-L245 PolarHBondContact O-N 2.83Å; D241-L370 HydrophobicContact CB-CD1 4.49Å
242	L	64.2	Low	61.9	Low	9 Å²	9	36.5 Å²	36.5	5%	0.047	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-38.5	174.5	-71.8	178.4	0	0	0	111	S239 L245 A246 I281 L282	S239-L242 PolarHBondContact O-N 2.98Å; L242-L245 PolarHBondContact O-N 3.03Å; L242-A246 VanDerWaalsContact O-CB 3.22Å; L242-A246 WeakPolarHBondContact O-CB 3.36Å; L242-A246 PolarHBondContact O-N 3.31Å; L242-I281 HydrophobicContact CD2-CG2 4.41Å; L242-L282 HydrophobicContact CD1-CD2 4.18Å
243	I	68.3	Low	60.9	Low	5 Å²	5	36.8 Å²	36.8	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-44.8	176.1	-62.6	172.8	0	0	0	109.9	M219 V230 A233 R234 H238 S239 D240 D241 A246 L247	M219-I243 HydrophobicContact SD-CG2 3.9Å; V230-I243 HydrophobicContact CB-CG2 4.3Å; V230-I243 HydrophobicContact CG1-CG2 4.21Å; V230-I243 HydrophobicContact CG2-CG2 3.75Å; A233-I243 HydrophobicContact CB-CD1 3.72Å; A233-I243 HydrophobicContact CB-CG1 3.72Å; R234-I243 HydrophobicContact CG-CD1 3.58Å; H238-I243 HydrophobicContact CB-CD1 4.38Å; H238-I243 HydrophobicContact CB-CG1 4.08Å; S239-I243 WeakPolarHBondContact O-CG1 3.41Å; S239-I243 PolarHBondContact O-N 2.94Å; S239-I243 VanDerWaalsContact O-N 3.12Å; D240-I243 PolarHBondContact O-N 2.55Å; D241-I243 VanDerWaalsContact C-N 3.31Å; I243-A246 PolarHBondContact O-N 2.92Å; I243-L247 HydrophobicContact CG2-CD1 4.02Å; I243-L247 HydrophobicContact CG2-CG 4.34Å; I243-L247 WeakPolarHBondContact O-CB 3.37Å; I243-L247 VanDerWaalsContact O-CG 3.26Å; I243-L247 WeakPolarHBondContact O-CG 3.47Å; I243-L247 PolarHBondContact O-N 2.57Å
244	V	68.3	Low	60.1	Low	1 Å²	1	38.3 Å²	38.3	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-46.8	175.8	169	0	0	0	0	111.2	L38 I215 M219 D240 D241 A246 L247 W248 F373 L377	L38-V244 HydrophobicContact CD1-CG1 3.73Å; L38-V244 HydrophobicContact CD2-CG1 4.38Å; I215-V244 HydrophobicContact CG2-CG2 4.49Å; M219-V244 HydrophobicContact CE-CG2 3.91Å; M219-V244 HydrophobicContact CG-CG2 4.35Å; M219-V244 HydrophobicContact SD-CG2 4.11Å; D240-V244 WeakPolarHBondContact O-CB 3.18Å; D240-V244 VanDerWaalsContact O-CG2 3.23Å; D240-V244 WeakPolarHBondContact O-CG2 3.43Å; D240-V244 PolarHBondContact O-N 3.48Å; D241-V244 PolarHBondContact O-N 2.82Å; V244-A246 VanDerWaalsContact C-N 3.29Å; V244-A246 PolarHBondContact O-N 3.39Å; V244-L247 PolarHBondContact O-N 2.88Å; V244-W248 WeakPolarHBondContact O-CB 3.25Å; V244-W248 PolarHBondContact O-N 3.11Å; V244-F373 HydrophobicContact CB-CD1 4.2Å; V244-F373 HydrophobicContact CG1-CD1 3.71Å; V244-F373 HydrophobicContact CG1-CE1 3.86Å; V244-F373 HydrophobicContact CG2-CB 4.46Å; V244-F373 HydrophobicContact CG2-CD1 3.95Å; V244-L377 HydrophobicContact CG1-CD1 4.04Å; V244-L377 HydrophobicContact CG2-CD1 4.17Å
245	L	62.8	Low	58.8	Low	19 Å²	19	35.1 Å²	35.1	10%	0.099	22%	0.216	C	C	.	.	H	α-helix	trans	-59.4	-40.9	176.6	-80.3	171.7	0	0	0	111.7	L38 Q39 D241 L242 R249	L38-L245 HydrophobicContact CB-CD2 3.82Å; L38-L245 HydrophobicContact CB-CG 4.44Å; Q39-L245 HydrophobicContact CB-CD2 4.25Å; D241-L245 WeakPolarHBondContact O-CB 3.16Å; D241-L245 WeakPolarHBondContact O-CG 3.38Å; D241-L245 PolarHBondContact O-N 2.83Å; L242-L245 PolarHBondContact O-N 3.03Å; L245-R249 WeakPolarHBondContact O-CB 3.42Å; L245-R249 PolarHBondContact O-N 3.28Å
246	A	64.4	Low	57.7	Low	3 Å²	3	34.3 Å²	34.3	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-68.5	-48.4	177.1	0	0	0	0	0	111.8	L242 I243 V244 W248 R249 L250 L278 I281	L242-A246 VanDerWaalsContact O-CB 3.22Å; L242-A246 WeakPolarHBondContact O-CB 3.36Å; L242-A246 PolarHBondContact O-N 3.31Å; I243-A246 PolarHBondContact O-N 2.92Å; V244-A246 VanDerWaalsContact C-N 3.29Å; V244-A246 PolarHBondContact O-N 3.39Å; A246-W248 VanDerWaalsContact C-N 3.26Å; A246-W248 PolarHBondContact O-N 3.02Å; A246-R249 PolarHBondContact O-N 2.85Å; A246-R249 VanDerWaalsContact O-N 3.15Å; A246-L250 WeakPolarHBondContact O-CB 3.5Å; A246-L250 VanDerWaalsContact O-CG 3.23Å; A246-L250 WeakPolarHBondContact O-CG 3.37Å; A246-L250 PolarHBondContact O-N 3.25Å; A246-L278 HydrophobicContact CB-CD2 3.81Å; A246-L278 HydrophobicContact CB-CG 3.93Å; A246-I281 HydrophobicContact CB-CD1 4.23Å
247	L	67.8	Low	56.5	Low	8 Å²	8	36.9 Å²	36.9	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-58.7	-41.8	175.7	-73.8	175.4	0	0	0	111.4	I215 M219 W228 V230 I243 V244 L250 Q251	I215-L247 HydrophobicContact CG2-CD1 4.18Å; M219-L247 HydrophobicContact SD-CD1 4.48Å; W228-L247 HydrophobicContact CH2-CD2 4.2Å; W228-L247 HydrophobicContact CZ3-CD1 4.46Å; W228-L247 HydrophobicContact CZ3-CD2 3.97Å; V230-L247 HydrophobicContact CG2-CD1 3.87Å; I243-L247 HydrophobicContact CG2-CD1 4.02Å; I243-L247 HydrophobicContact CG2-CG 4.34Å; I243-L247 WeakPolarHBondContact O-CB 3.37Å; I243-L247 VanDerWaalsContact O-CG 3.26Å; I243-L247 WeakPolarHBondContact O-CG 3.47Å; I243-L247 PolarHBondContact O-N 2.57Å; V244-L247 PolarHBondContact O-N 2.88Å; L247-L250 HydrophobicContact CD2-CD1 4.43Å; L247-L250 PolarHBondContact O-N 3.05Å; L247-Q251 WeakPolarHBondContact O-CG 3.16Å; L247-Q251 PolarHBondContact O-N 2.81Å
248	W	64.5	Low	55.2	Low	11 Å²	11	37.1 Å²	37.1	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-46.6	174.8	-178.8	93.9	0	0	0	111.4	T31 L32 A35 V244 A246 L250 Q251 A252	T31-W248 HydrophobicContact CG2-CZ2 3.71Å; T31-W248 WeakPolarHBondContact O-CZ2 3.49Å; T31-W248 PolarHBondContact O-NE1 2.63Å; L32-W248 HydrophobicContact CD2-CH2 3.7Å; L32-W248 HydrophobicContact CD2-CZ2 4.09Å; L32-W248 HydrophobicContact CG-CZ2 4.45Å; A35-W248 HydrophobicContact CB-CD2 3.42Å; A35-W248 VanDerWaalsContact CB-CD2 3.42Å; A35-W248 HydrophobicContact CB-CE3 3.52Å; A35-W248 HydrophobicContact CB-CG 4.22Å; A35-W248 HydrophobicContact CB-CH2 3.42Å; A35-W248 VanDerWaalsContact CB-CH2 3.42Å; A35-W248 HydrophobicContact CB-CZ2 3.27Å; A35-W248 HydrophobicContact CB-CZ3 3.52Å; V244-W248 WeakPolarHBondContact O-CB 3.25Å; V244-W248 PolarHBondContact O-N 3.11Å; A246-W248 VanDerWaalsContact C-N 3.26Å; A246-W248 PolarHBondContact O-N 3.02Å; W248-L250 VanDerWaalsContact C-N 3.32Å; W248-L250 PolarHBondContact O-N 2.85Å; W248-Q251 CarbonylContact O-C 3.52Å; W248-Q251 WeakPolarHBondContact O-CB 3.44Å; W248-Q251 PolarHBondContact O-N 3.35Å; W248-Q251 VanDerWaalsContact O-N 3.08Å; W248-A252 HydrophobicContact CH2-CB 4.17Å; W248-A252 HydrophobicContact CZ2-CB 4.44Å; W248-A252 HydrophobicContact CZ3-CB 4.25Å; W248-A252 PolarHBondContact O-N 3.43Å
249	R	60.4	Low	53.7	Low	73 Å²	73	39.6 Å²	39.6	28%	0.275	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-40.7	178.5	-175.5	65.5	-174.2	-173.4	3.8	111.4	L245 A246 Q251 A252 E253 L277	L245-R249 WeakPolarHBondContact O-CB 3.42Å; L245-R249 PolarHBondContact O-N 3.28Å; A246-R249 PolarHBondContact O-N 2.85Å; A246-R249 VanDerWaalsContact O-N 3.15Å; R249-Q251 VanDerWaalsContact C-N 3.34Å; R249-A252 PolarHBondContact O-N 2.82Å; R249-E253 HydrophobicContact CG-CG 4.48Å; R249-E253 IonicContact CZ-OE1 3.66Å; R249-E253 IonicContact NE-OE1 2.87Å; R249-E253 PolarHBondContact NE-OE1 3.17Å; R249-E253 IonicContact NH2-OE1 3.03Å; R249-E253 PolarHBondContact NH2-OE1 3.15Å; R249-E253 WeakPolarHBondContact O-CB 3.5Å; R249-E253 WeakPolarHBondContact O-CG 3.5Å; R249-E253 PolarHBondContact O-N 2.95Å; R249-L277 HydrophobicContact CB-CD2 4.25Å; R249-L277 HydrophobicContact CG-CD1 4.1Å; R249-L277 HydrophobicContact CG-CD2 4.04Å
250	L	55.6	Low	51.8	Low	34 Å²	34	41.5 Å²	41.5	18%	0.178	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-40.8	172.1	-69.7	164.9	0	0	0	111.9	A246 L247 W248 A254 I269 T274 L277	A246-L250 WeakPolarHBondContact O-CB 3.5Å; A246-L250 VanDerWaalsContact O-CG 3.23Å; A246-L250 WeakPolarHBondContact O-CG 3.37Å; A246-L250 PolarHBondContact O-N 3.25Å; L247-L250 HydrophobicContact CD2-CD1 4.43Å; L247-L250 PolarHBondContact O-N 3.05Å; W248-L250 VanDerWaalsContact C-N 3.32Å; W248-L250 PolarHBondContact O-N 2.85Å; L250-A254 WeakPolarHBondContact O-CB 3.49Å; L250-A254 PolarHBondContact O-N 3.31Å; L250-I269 HydrophobicContact CD1-CD1 4.17Å; L250-I269 HydrophobicContact CD1-CG2 4.22Å; L250-T274 HydrophobicContact CD1-CG2 3.16Å; L250-T274 HydrophobicContact CD2-CG2 3.87Å; L250-T274 HydrophobicContact CG-CG2 4.05Å; L250-L277 HydrophobicContact CD2-CD2 3.54Å; L250-L277 HydrophobicContact CG-CD2 3.69Å
251	Q	55.5	Low	50.1	Low	41 Å²	41	41.5 Å²	41.5	19%	0.192	26%	0.263	C	S	.	.	H	α-helix	trans	-66.8	-37.7	175.8	-75.2	-172.8	-2.1	0	0	112.1	I215 L247 W248 R249 A255	I215-Q251 VanDerWaalsContact CG1-NE2 3.34Å; L247-Q251 WeakPolarHBondContact O-CG 3.16Å; L247-Q251 PolarHBondContact O-N 2.81Å; W248-Q251 CarbonylContact O-C 3.52Å; W248-Q251 WeakPolarHBondContact O-CB 3.44Å; W248-Q251 PolarHBondContact O-N 3.35Å; W248-Q251 VanDerWaalsContact O-N 3.08Å; R249-Q251 VanDerWaalsContact C-N 3.34Å; Q251-A255 WeakPolarHBondContact O-CB 3.12Å; Q251-A255 PolarHBondContact O-N 3.08Å
252	A	47.5	Very low	48.3	Very low	35 Å²	35	42.9 Å²	42.9	29%	0.289	27%	0.273	S	S	.	.	H	α-helix	trans	-70.5	-39.5	176.1	0	0	0	0	0	112.3	W248 R249 A255 G256	W248-A252 HydrophobicContact CH2-CB 4.17Å; W248-A252 HydrophobicContact CZ2-CB 4.44Å; W248-A252 HydrophobicContact CZ3-CB 4.25Å; W248-A252 PolarHBondContact O-N 3.43Å; R249-A252 PolarHBondContact O-N 2.82Å; A252-A255 WeakPolarHBondContact O-CA 3.5Å; A252-A255 WeakPolarHBondContact O-CB 3.25Å; A252-A255 PolarHBondContact O-N 3.24Å; A252-G256 PolarHBondContact O-N 3.32Å
253	E	42.7	Very low	46.6	Very low	91 Å²	91	45.8 Å²	45.8	43%	0.425	29%	0.292	S	S	.	.	H	α-helix	trans	-72.2	-39	176.4	-74.9	179.2	-176	0	0	111.9	R249 A255 G256	R249-E253 HydrophobicContact CG-CG 4.48Å; R249-E253 IonicContact CZ-OE1 3.66Å; R249-E253 IonicContact NE-OE1 2.87Å; R249-E253 PolarHBondContact NE-OE1 3.17Å; R249-E253 IonicContact NH2-OE1 3.03Å; R249-E253 PolarHBondContact NH2-OE1 3.15Å; R249-E253 WeakPolarHBondContact O-CB 3.5Å; R249-E253 WeakPolarHBondContact O-CG 3.5Å; R249-E253 PolarHBondContact O-N 2.95Å; E253-A255 PolarHBondContact O-N 3.48Å; E253-G256 PolarHBondContact O-N 3.2Å
254	A	42.7	Very low	44.7	Very low	34 Å²	34	50.3 Å²	50.3	28%	0.281	32%	0.315	S	S	.	.	H	α-helix	trans	-59.1	-33.6	168.2	0	0	0	0	0	111.2	L250 G256 M257	L250-A254 WeakPolarHBondContact O-CB 3.49Å; L250-A254 PolarHBondContact O-N 3.31Å; A254-G256 PolarHBondContact O-N 2.77Å; A254-M257 CarbonylContact O-C 3.6Å; A254-M257 WeakPolarHBondContact O-CA 3.44Å; A254-M257 WeakPolarHBondContact O-CB 3.2Å; A254-M257 PolarHBondContact O-N 2.97Å
255	A	38.6	Very low	42.8	Very low	26 Å²	26	58.3 Å²	58.3	22%	0.215	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-10.5	173.8	0	0	0	0	0	114.7	Q251 A252 E253 M257 G258 L259	Q251-A255 WeakPolarHBondContact O-CB 3.12Å; Q251-A255 PolarHBondContact O-N 3.08Å; A252-A255 WeakPolarHBondContact O-CA 3.5Å; A252-A255 WeakPolarHBondContact O-CB 3.25Å; A252-A255 PolarHBondContact O-N 3.24Å; E253-A255 PolarHBondContact O-N 3.48Å; A255-M257 CarbonylContact O-C 3.57Å; A255-M257 PolarHBondContact O-N 3.29Å; A255-G258 WeakPolarHBondContact O-CA 3.44Å; A255-G258 PolarHBondContact O-N 2.81Å; A255-L259 HydrophobicContact CB-CD2 4.15Å; A255-L259 HydrophobicContact CB-CG 4.44Å; A255-L259 PolarHBondContact O-N 3.34Å; A255-L259 VanDerWaalsContact O-N 3.17Å
256	G	36.2	Very low	41.1	Very low	72 Å²	72	60 Å²	60	74%	0.742	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-21.2	162.6	0	0	0	0	0	112.2	A252 E253 A254 G258	A252-G256 PolarHBondContact O-N 3.32Å; E253-G256 PolarHBondContact O-N 3.2Å; A254-G256 PolarHBondContact O-N 2.77Å; G256-G258 VanDerWaalsContact C-N 3.32Å; G256-G258 PolarHBondContact O-N 3.49Å
257	M	32.5	Very low	39.5	Very low	166 Å²	166	62.4 Å²	62.4	82%	0.818	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	64.2	158.9	-64.1	-84.6	-118.6	0	0	108.6	A254 A255	A254-M257 CarbonylContact O-C 3.6Å; A254-M257 WeakPolarHBondContact O-CA 3.44Å; A254-M257 WeakPolarHBondContact O-CB 3.2Å; A254-M257 PolarHBondContact O-N 2.97Å; A255-M257 CarbonylContact O-C 3.57Å; A255-M257 PolarHBondContact O-N 3.29Å
258	G	29.2	Very low	37.8	Very low	61 Å²	61	71.6 Å²	71.6	63%	0.629	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.6	77.1	172.2	0	0	0	0	0	116.3	A255 G256 A260	A255-G258 WeakPolarHBondContact O-CA 3.44Å; A255-G258 PolarHBondContact O-N 2.81Å; G256-G258 VanDerWaalsContact C-N 3.32Å; G256-G258 PolarHBondContact O-N 3.49Å; G258-A260 PolarHBondContact O-N 2.74Å
259	L	27	Very low	36.5	Very low	83 Å²	83	73.1 Å²	73.1	44%	0.435	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.4	5.3	163.6	-76.5	165.3	0	0	0	118	A28 R211 A255 C261	A28-L259 HydrophobicContact CB-CD2 4.48Å; R211-L259 PolarHBondContact NH2-O 2.79Å; A255-L259 HydrophobicContact CB-CD2 4.15Å; A255-L259 HydrophobicContact CB-CG 4.44Å; A255-L259 PolarHBondContact O-N 3.34Å; A255-L259 VanDerWaalsContact O-N 3.17Å; L259-C261 PolarHBondContact O-N 3.48Å; L259-C261 VanDerWaalsContact O-N 3.12Å
260	A	26.3	Very low	35.2	Very low	64 Å²	64	73.2 Å²	73.2	53%	0.529	43%	0.425	S	S	.	.			trans	-78.2	106.7	-177.5	0	0	0	0	0	105.3	G258 P262	G258-A260 PolarHBondContact O-N 2.74Å; A260-P262 VanDerWaalsContact O-N 3.11Å
261	C	33.2	Very low	34.1	Very low	24 Å²	24	75.3 Å²	75.3	16%	0.162	44%	0.441	C	S	.	.			trans	-44.1	125.6	159.5	-86.5	0	0	0	0	107.1	Y205 L259 P263	Y205-C261 HydrophobicContact CD2-CB 4.29Å; L259-C261 PolarHBondContact O-N 3.48Å; L259-C261 VanDerWaalsContact O-N 3.12Å; C261-P263 WeakPolarHBondContact O-CD 3.27Å; C261-P263 VanDerWaalsContact O-N 3.09Å
262	P	26.6	Very low	33.3	Very low	41 Å²	41	78.6 Å²	78.6	27%	0.266	46%	0.456	S	S	.	.			trans	-54.6	126	169	19.2	-25.7	0	0	0	105.9	A260 S266	A260-P262 VanDerWaalsContact O-N 3.11Å; P262-S266 VanDerWaalsContact C-OG 3.3Å; P262-S266 WeakPolarHBondContact CA-OG 3.39Å; P262-S266 WeakPolarHBondContact CB-O 3.28Å; P262-S266 WeakPolarHBondContact CB-OG 3.33Å
263	P	28.2	Very low	32.8	Very low	70 Å²	70	79.3 Å²	79.3	46%	0.455	46%	0.462	S	S	.	.			trans	-44.6	154.3	169.4	15.2	-31.7	0	0	0	109.4	C261 K265 S266 I267	C261-P263 WeakPolarHBondContact O-CD 3.27Å; C261-P263 VanDerWaalsContact O-N 3.09Å; P263-K265 CarbonylContact O-C 3.56Å; P263-K265 PolarHBondContact O-N 3.47Å; P263-S266 WeakPolarHBondContact CD-OG 3.31Å; P263-S266 VanDerWaalsContact CG-OG 3.32Å; P263-S266 WeakPolarHBondContact CG-OG 3.47Å; P263-S266 CarbonylContact O-C 3.59Å; P263-S266 WeakPolarHBondContact O-CA 3.46Å; P263-S266 PolarHBondContact O-N 3.06Å; P263-S266 PolarHBondContact O-OG 2.95Å; P263-I267 PolarHBondContact O-N 2.99Å
264	I	29.3	Very low	32.6	Very low	99 Å²	99	75.4 Å²	75.4	51%	0.508	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-47.5	-27.9	176.7	-67.5	169.4	0	0	0	111.8	C203 Y205	C203-I264 HydrophobicContact CB-CD1 4.12Å; Y205-I264 HydrophobicContact CE2-CG1 4.45Å
265	K	28.1	Very low	32.4	Very low	170 Å²	170	75.6 Å²	75.6	74%	0.739	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-79.7	-22.7	174.7	-64.8	-175.9	179.6	177.5	0	116	P263	P263-K265 CarbonylContact O-C 3.56Å; P263-K265 PolarHBondContact O-N 3.47Å
266	S	26.8	Very low	32.7	Very low	54 Å²	54	77.8 Å²	77.8	38%	0.378	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-100.2	16	173.6	76.2	0	0	0	0	113.7	P262 P263 Y268	P262-S266 VanDerWaalsContact C-OG 3.3Å; P262-S266 WeakPolarHBondContact CA-OG 3.39Å; P262-S266 WeakPolarHBondContact CB-O 3.28Å; P262-S266 WeakPolarHBondContact CB-OG 3.33Å; P263-S266 WeakPolarHBondContact CD-OG 3.31Å; P263-S266 VanDerWaalsContact CG-OG 3.32Å; P263-S266 WeakPolarHBondContact CG-OG 3.47Å; P263-S266 CarbonylContact O-C 3.59Å; P263-S266 WeakPolarHBondContact O-CA 3.46Å; P263-S266 PolarHBondContact O-N 3.06Å; P263-S266 PolarHBondContact O-OG 2.95Å; S266-Y268 PolarHBondContact O-N 2.62Å
267	I	30.7	Very low	33	Very low	54 Å²	54	75.5 Å²	75.5	28%	0.277	42%	0.419	S	S	.	.			trans	-69.7	42.3	147.7	-44.8	178.4	0	0	0	109	M218 W228 P263 I269	M218-I267 HydrophobicContact SD-CD1 4.35Å; W228-I267 HydrophobicContact CH2-CG2 4.38Å; W228-I267 HydrophobicContact CZ2-CD1 4.24Å; W228-I267 HydrophobicContact CZ2-CG2 3.75Å; P263-I267 PolarHBondContact O-N 2.99Å; I267-I269 HydrophobicContact CG2-CB 4.47Å; I267-I269 HydrophobicContact CG2-CD1 3.5Å; I267-I269 VanDerWaalsContact CG2-CD1 3.5Å; I267-I269 HydrophobicContact CG2-CG1 3.76Å; I267-I269 PolarHBondContact O-N 2.7Å
268	Y	32.1	Very low	33.5	Very low	201 Å²	201	68.4 Å²	68.4	79%	0.788	38%	0.384	S	S	*	.			trans	-81.8	64	154.8	-155.3	-90.9	0	0	0	105.8	S266 D270	S266-Y268 PolarHBondContact O-N 2.62Å; Y268-D270 VanDerWaalsContact C-N 3.34Å; Y268-D270 PolarHBondContact O-N 2.77Å
269	I	36.6	Very low	34.1	Very low	42 Å²	42	69.4 Å²	69.4	22%	0.215	37%	0.371	C	S	.	.			trans	-65.3	105.7	167.7	-71	173.6	0	0	0	103.7	P229 L250 I267 P271 T274	P229-I269 HydrophobicContact CG-CG2 4.39Å; L250-I269 HydrophobicContact CD1-CD1 4.17Å; L250-I269 HydrophobicContact CD1-CG2 4.22Å; I267-I269 HydrophobicContact CG2-CB 4.47Å; I267-I269 HydrophobicContact CG2-CD1 3.5Å; I267-I269 VanDerWaalsContact CG2-CD1 3.5Å; I267-I269 HydrophobicContact CG2-CG1 3.76Å; I267-I269 PolarHBondContact O-N 2.7Å; I269-P271 VanDerWaalsContact O-CD 3.27Å; I269-P271 WeakPolarHBondContact O-CD 3.24Å; I269-T274 HydrophobicContact CG2-CG2 3.14Å; I269-T274 WeakPolarHBondContact CG2-OG1 3.48Å
270	D	33.8	Very low	34.8	Very low	75 Å²	75	67.7 Å²	67.7	40%	0.401	37%	0.368	S	S	.	.			trans	-54.4	115.7	174.8	171.5	15	0	0	0	106.9	Y268 Q272 A273 T274	Y268-D270 VanDerWaalsContact C-N 3.34Å; Y268-D270 PolarHBondContact O-N 2.77Å; D270-Q272 PolarHBondContact O-N 3.29Å; D270-Q272 VanDerWaalsContact O-N 3.14Å; D270-Q272 WeakPolarHBondContact OD1-CB 3.43Å; D270-Q272 PolarHBondContact OD1-N 3.19Å; D270-A273 HydrophobicContact CB-CB 3.82Å; D270-A273 PolarHBondContact O-N 3.4Å; D270-A273 PolarHBondContact OD2-N 3.1Å; D270-T274 PolarHBondContact O-N 2.84Å; D270-T274 PolarHBondContact O-OG1 2.97Å
271	P	32.4	Very low	35.5	Very low	79 Å²	79	66.5 Å²	66.5	51%	0.513	35%	0.353	S	S	.	.	H	α-helix	trans	-56.3	-32	-180	22.5	-32.7	0	0	0	109.8	I269 T274 T275	I269-P271 VanDerWaalsContact O-CD 3.27Å; I269-P271 WeakPolarHBondContact O-CD 3.24Å; P271-T274 VanDerWaalsContact CA-OG1 3.28Å; P271-T274 WeakPolarHBondContact CA-OG1 3.23Å; P271-T274 PolarHBondContact O-OG1 3.17Å; P271-T275 VanDerWaalsContact O-CB 3.23Å; P271-T275 WeakPolarHBondContact O-CB 3.49Å; P271-T275 PolarHBondContact O-N 3.02Å; P271-T275 PolarHBondContact O-OG1 3.22Å
272	Q	38.7	Very low	35.7	Very low	109 Å²	109	66.7 Å²	66.7	51%	0.509	35%	0.352	S	S	.	.	H	α-helix	trans	-69.4	-48.1	176.5	-159.2	68.1	19.3	0	0	111.2	D270 T274 T275 E276	D270-Q272 PolarHBondContact O-N 3.29Å; D270-Q272 VanDerWaalsContact O-N 3.14Å; D270-Q272 WeakPolarHBondContact OD1-CB 3.43Å; D270-Q272 PolarHBondContact OD1-N 3.19Å; Q272-T274 VanDerWaalsContact C-N 3.33Å; Q272-T274 PolarHBondContact O-N 2.66Å; Q272-T275 CarbonylContact O-C 3.59Å; Q272-T275 PolarHBondContact O-N 3.38Å; Q272-E276 HydrophobicContact CG-CG 4.5Å; Q272-E276 WeakPolarHBondContact O-CB 3.36Å; Q272-E276 VanDerWaalsContact O-CG 3.29Å; Q272-E276 WeakPolarHBondContact O-CG 3.5Å; Q272-E276 PolarHBondContact O-N 3.02Å
273	A	37.9	Very low	36.2	Very low	50 Å²	50	72.7 Å²	72.7	41%	0.413	37%	0.369	S	S	.	.	H	α-helix	trans	-62.8	-37.1	177.3	0	0	0	0	0	112.9	D270 E276 L277	D270-A273 HydrophobicContact CB-CB 3.82Å; D270-A273 PolarHBondContact O-N 3.4Å; D270-A273 PolarHBondContact OD2-N 3.1Å; A273-E276 PolarHBondContact O-N 2.98Å; A273-L277 VanDerWaalsContact O-CB 3.28Å; A273-L277 WeakPolarHBondContact O-CB 3.37Å; A273-L277 PolarHBondContact O-N 3.24Å
274	T	38	Very low	36.7	Very low	9 Å²	9	74 Å²	74	6%	0.055	38%	0.375	C	S	.	.	H	α-helix	trans	-67.6	-42.5	173.2	18.4	0	0	0	0	112.4	L250 I269 D270 P271 Q272 E276 L277 L278	L250-T274 HydrophobicContact CD1-CG2 3.16Å; L250-T274 HydrophobicContact CD2-CG2 3.87Å; L250-T274 HydrophobicContact CG-CG2 4.05Å; I269-T274 HydrophobicContact CG2-CG2 3.14Å; I269-T274 WeakPolarHBondContact CG2-OG1 3.48Å; D270-T274 PolarHBondContact O-N 2.84Å; D270-T274 PolarHBondContact O-OG1 2.97Å; P271-T274 VanDerWaalsContact CA-OG1 3.28Å; P271-T274 WeakPolarHBondContact CA-OG1 3.23Å; P271-T274 PolarHBondContact O-OG1 3.17Å; Q272-T274 VanDerWaalsContact C-N 3.33Å; Q272-T274 PolarHBondContact O-N 2.66Å; T274-E276 VanDerWaalsContact C-N 3.31Å; T274-L277 PolarHBondContact O-N 2.88Å; T274-L278 VanDerWaalsContact O-CB 3.24Å; T274-L278 WeakPolarHBondContact O-CB 3.47Å; T274-L278 WeakPolarHBondContact O-CG 3.34Å; T274-L278 PolarHBondContact O-N 2.85Å
275	T	38.9	Very low	36.9	Very low	39 Å²	39	71.4 Å²	71.4	24%	0.239	36%	0.362	C	S	.	.	H	α-helix	trans	-66.4	-38	176.7	-50.2	0	0	0	0	110	P271 Q272 K279	P271-T275 VanDerWaalsContact O-CB 3.23Å; P271-T275 WeakPolarHBondContact O-CB 3.49Å; P271-T275 PolarHBondContact O-N 3.02Å; P271-T275 PolarHBondContact O-OG1 3.22Å; Q272-T275 CarbonylContact O-C 3.59Å; Q272-T275 PolarHBondContact O-N 3.38Å; T275-K279 HydrophobicContact CG2-CD 4.24Å; T275-K279 HydrophobicContact CG2-CG 4.39Å; T275-K279 WeakPolarHBondContact O-CA 3.42Å; T275-K279 WeakPolarHBondContact O-CB 3.45Å; T275-K279 WeakPolarHBondContact O-CD 3.4Å; T275-K279 WeakPolarHBondContact O-CG 2.91Å; T275-K279 PolarHBondContact O-N 2.81Å
276	E	43	Very low	37.1	Very low	72 Å²	72	67.8 Å²	67.8	34%	0.336	35%	0.347	S	S	.	.	H	α-helix	trans	-68.7	-35.8	174.2	-71.4	-55.6	128.8	0	0	111.9	Q272 A273 T274 K279 A280	Q272-E276 HydrophobicContact CG-CG 4.5Å; Q272-E276 WeakPolarHBondContact O-CB 3.36Å; Q272-E276 VanDerWaalsContact O-CG 3.29Å; Q272-E276 WeakPolarHBondContact O-CG 3.5Å; Q272-E276 PolarHBondContact O-N 3.02Å; A273-E276 PolarHBondContact O-N 2.98Å; T274-E276 VanDerWaalsContact C-N 3.31Å; E276-K279 CarbonylContact O-C 3.34Å; E276-K279 PolarHBondContact O-N 3.26Å; E276-K279 WeakPolarHBondContact OE1-CD 3.15Å; E276-K279 IonicContact OE1-NZ 2.75Å; E276-K279 PolarHBondContact OE1-NZ 2.93Å; E276-A280 WeakPolarHBondContact O-CA 3.28Å; E276-A280 WeakPolarHBondContact O-CB 3.48Å; E276-A280 PolarHBondContact O-N 3.41Å
277	L	42.9	Very low	37.3	Very low	24 Å²	24	67.8 Å²	67.8	13%	0.126	36%	0.356	C	S	.	.	H	α-helix	trans	-69.2	-46.4	172.8	-179.8	67.5	0	0	0	111.3	R249 L250 A273 T274 K279 A280 I281	R249-L277 HydrophobicContact CB-CD2 4.25Å; R249-L277 HydrophobicContact CG-CD1 4.1Å; R249-L277 HydrophobicContact CG-CD2 4.04Å; L250-L277 HydrophobicContact CD2-CD2 3.54Å; L250-L277 HydrophobicContact CG-CD2 3.69Å; A273-L277 VanDerWaalsContact O-CB 3.28Å; A273-L277 WeakPolarHBondContact O-CB 3.37Å; A273-L277 PolarHBondContact O-N 3.24Å; T274-L277 PolarHBondContact O-N 2.88Å; L277-K279 VanDerWaalsContact C-N 3.29Å; L277-K279 PolarHBondContact O-N 3.48Å; L277-A280 WeakPolarHBondContact O-CB 3.23Å; L277-A280 PolarHBondContact O-N 3.27Å; L277-I281 HydrophobicContact CD1-CD1 4.41Å; L277-I281 HydrophobicContact CG-CD1 4.05Å; L277-I281 WeakPolarHBondContact O-CB 3.24Å; L277-I281 VanDerWaalsContact O-CG1 3.25Å; L277-I281 WeakPolarHBondContact O-CG1 3.37Å; L277-I281 PolarHBondContact O-N 3.3Å
278	L	43.4	Very low	37.3	Very low	16 Å²	16	67.5 Å²	67.5	8%	0.084	35%	0.351	C	S	.	.	H	α-helix	trans	-58.9	-44.2	172.5	-86.7	154.4	0	0	0	109.9	A246 T274 A280 I281 L282	A246-L278 HydrophobicContact CB-CD2 3.81Å; A246-L278 HydrophobicContact CB-CG 3.93Å; T274-L278 VanDerWaalsContact O-CB 3.24Å; T274-L278 WeakPolarHBondContact O-CB 3.47Å; T274-L278 WeakPolarHBondContact O-CG 3.34Å; T274-L278 PolarHBondContact O-N 2.85Å; L278-A280 VanDerWaalsContact C-N 3.32Å; L278-A280 PolarHBondContact O-N 2.71Å; L278-I281 PolarHBondContact O-N 3.01Å; L278-L282 WeakPolarHBondContact O-CA 3.22Å; L278-L282 WeakPolarHBondContact O-CB 3.26Å; L278-L282 WeakPolarHBondContact O-CD1 3.24Å; L278-L282 WeakPolarHBondContact O-CG 3.36Å; L278-L282 PolarHBondContact O-N 3.42Å
279	K	41.7	Very low	37.2	Very low	83 Å²	83	63.3 Å²	63.3	36%	0.361	34%	0.343	S	S	.	.	H	α-helix	trans	-65.9	-29.9	172.4	-77.7	171.1	-177.4	173.7	0	112.6	T275 E276 L277 L282 R283	T275-K279 HydrophobicContact CG2-CD 4.24Å; T275-K279 HydrophobicContact CG2-CG 4.39Å; T275-K279 WeakPolarHBondContact O-CA 3.42Å; T275-K279 WeakPolarHBondContact O-CB 3.45Å; T275-K279 WeakPolarHBondContact O-CD 3.4Å; T275-K279 WeakPolarHBondContact O-CG 2.91Å; T275-K279 PolarHBondContact O-N 2.81Å; E276-K279 CarbonylContact O-C 3.34Å; E276-K279 PolarHBondContact O-N 3.26Å; E276-K279 WeakPolarHBondContact OE1-CD 3.15Å; E276-K279 IonicContact OE1-NZ 2.75Å; E276-K279 PolarHBondContact OE1-NZ 2.93Å; L277-K279 VanDerWaalsContact C-N 3.29Å; L277-K279 PolarHBondContact O-N 3.48Å; K279-L282 CarbonylContact O-C 3.58Å; K279-R283 WeakPolarHBondContact O-CA 3.07Å; K279-R283 VanDerWaalsContact O-CB 3.24Å; K279-R283 WeakPolarHBondContact O-CB 3.09Å; K279-R283 VanDerWaalsContact O-CG 3.25Å; K279-R283 WeakPolarHBondContact O-CG 3.36Å; K279-R283 PolarHBondContact O-N 3Å
280	A	42.4	Very low	36.8	Very low	46 Å²	46	67.3 Å²	67.3	38%	0.38	36%	0.363	S	S	.	.	H	α-helix	trans	-75.1	-45.8	176.8	0	0	0	0	0	110	E276 L277 L278 L282 R283 V284	E276-A280 WeakPolarHBondContact O-CA 3.28Å; E276-A280 WeakPolarHBondContact O-CB 3.48Å; E276-A280 PolarHBondContact O-N 3.41Å; L277-A280 WeakPolarHBondContact O-CB 3.23Å; L277-A280 PolarHBondContact O-N 3.27Å; L278-A280 VanDerWaalsContact C-N 3.32Å; L278-A280 PolarHBondContact O-N 2.71Å; A280-L282 PolarHBondContact O-N 3.46Å; A280-R283 PolarHBondContact O-N 2.94Å; A280-V284 VanDerWaalsContact O-CG2 3.3Å; A280-V284 WeakPolarHBondContact O-CG2 3.29Å; A280-V284 PolarHBondContact O-N 3.27Å
281	I	39.9	Very low	36.6	Very low	39 Å²	39	65.7 Å²	65.7	20%	0.2	36%	0.358	C	S	.	.	H	α-helix	trans	-56.1	-41.6	169.3	-66.3	166.2	0	0	0	109.4	L242 A246 L277 L278 V284 Q285	L242-I281 HydrophobicContact CD2-CG2 4.41Å; A246-I281 HydrophobicContact CB-CD1 4.23Å; L277-I281 HydrophobicContact CD1-CD1 4.41Å; L277-I281 HydrophobicContact CG-CD1 4.05Å; L277-I281 WeakPolarHBondContact O-CB 3.24Å; L277-I281 VanDerWaalsContact O-CG1 3.25Å; L277-I281 WeakPolarHBondContact O-CG1 3.37Å; L277-I281 PolarHBondContact O-N 3.3Å; L278-I281 PolarHBondContact O-N 3.01Å; I281-V284 WeakPolarHBondContact O-CB 3.5Å; I281-Q285 WeakPolarHBondContact O-CG 3.44Å; I281-Q285 PolarHBondContact O-N 3.42Å
282	L	38.8	Very low	36.5	Very low	28 Å²	28	65.5 Å²	65.5	15%	0.147	36%	0.359	C	S	.	.	H	α-helix	trans	-76.5	-30.9	176.6	-73.6	165.5	0	0	0	113.1	H238 L242 L278 K279 A280 V284 Q285 E286	H238-L282 WeakPolarHBondContact CE1-CD1 3.21Å; L242-L282 HydrophobicContact CD1-CD2 4.18Å; L278-L282 WeakPolarHBondContact O-CA 3.22Å; L278-L282 WeakPolarHBondContact O-CB 3.26Å; L278-L282 WeakPolarHBondContact O-CD1 3.24Å; L278-L282 WeakPolarHBondContact O-CG 3.36Å; L278-L282 PolarHBondContact O-N 3.42Å; K279-L282 CarbonylContact O-C 3.58Å; A280-L282 PolarHBondContact O-N 3.46Å; L282-V284 VanDerWaalsContact C-N 3.29Å; L282-Q285 CarbonylContact O-C 3.56Å; L282-Q285 WeakPolarHBondContact O-CA 3.4Å; L282-Q285 WeakPolarHBondContact O-CB 3.36Å; L282-Q285 PolarHBondContact O-N 2.83Å; L282-E286 WeakPolarHBondContact O-CA 3.12Å; L282-E286 VanDerWaalsContact O-CB 3.3Å; L282-E286 WeakPolarHBondContact O-CB 3.35Å; L282-E286 WeakPolarHBondContact O-CG 3.48Å; L282-E286 PolarHBondContact O-N 3.38Å
283	R	36.7	Very low	36	Very low	168 Å²	168	69.2 Å²	69.2	63%	0.634	37%	0.373	S	S	*	.	H	α-helix	trans	-68.7	-34.6	173.1	-86.4	-178.9	-175.7	161.3	4	110.3	K279 A280 Q285 E286 G287	K279-R283 WeakPolarHBondContact O-CA 3.07Å; K279-R283 VanDerWaalsContact O-CB 3.24Å; K279-R283 WeakPolarHBondContact O-CB 3.09Å; K279-R283 VanDerWaalsContact O-CG 3.25Å; K279-R283 WeakPolarHBondContact O-CG 3.36Å; K279-R283 PolarHBondContact O-N 3Å; A280-R283 PolarHBondContact O-N 2.94Å; R283-Q285 PolarHBondContact O-N 3.38Å; R283-E286 PolarHBondContact O-N 2.81Å; R283-G287 WeakPolarHBondContact O-CA 3.47Å; R283-G287 PolarHBondContact O-N 3.01Å
284	V	38.6	Very low	35.4	Very low	96 Å²	96	73.6 Å²	73.6	58%	0.582	39%	0.389	S	S	*	.	H	α-helix	trans	-61.2	-21.1	165.6	174	0	0	0	0	111.1	A280 I281 L282	A280-V284 VanDerWaalsContact O-CG2 3.3Å; A280-V284 WeakPolarHBondContact O-CG2 3.29Å; A280-V284 PolarHBondContact O-N 3.27Å; I281-V284 WeakPolarHBondContact O-CB 3.5Å; L282-V284 VanDerWaalsContact C-N 3.29Å
285	Q	34.2	Very low	34.9	Very low	46 Å²	46	79.6 Å²	79.6	22%	0.215	42%	0.421	C	S	.	.	H	α-helix	trans	-103.5	-20.3	173.5	-65	-178.2	-39	0	0	115.6	I281 L282 R283 Y288	I281-Q285 WeakPolarHBondContact O-CG 3.44Å; I281-Q285 PolarHBondContact O-N 3.42Å; L282-Q285 CarbonylContact O-C 3.56Å; L282-Q285 WeakPolarHBondContact O-CA 3.4Å; L282-Q285 WeakPolarHBondContact O-CB 3.36Å; L282-Q285 PolarHBondContact O-N 2.83Å; R283-Q285 PolarHBondContact O-N 3.38Å; Q285-Y288 WeakPolarHBondContact O-CB 3.23Å
286	E	31.7	Very low	34.2	Very low	93 Å²	93	84.2 Å²	84.2	44%	0.435	44%	0.444	S	S	.	.	H	α-helix	trans	-103.7	-23.5	-174.7	-80.9	-174.2	176.2	0	0	110.6	L282 R283 Y288 D289 I290	L282-E286 WeakPolarHBondContact O-CA 3.12Å; L282-E286 VanDerWaalsContact O-CB 3.3Å; L282-E286 WeakPolarHBondContact O-CB 3.35Å; L282-E286 WeakPolarHBondContact O-CG 3.48Å; L282-E286 PolarHBondContact O-N 3.38Å; R283-E286 PolarHBondContact O-N 2.81Å; E286-Y288 PolarHBondContact O-N 2.63Å; E286-D289 PolarHBondContact O-N 3.07Å; E286-I290 PolarHBondContact O-N 3.42Å
287	G	30.5	Very low	33.2	Very low	54 Å²	54	90.1 Å²	90.1	56%	0.557	47%	0.471	S	S	*	.	H	α-helix	trans	-52.6	-18.4	155.2	0	0	0	0	0	111.5	R283	R283-G287 WeakPolarHBondContact O-CA 3.47Å; R283-G287 PolarHBondContact O-N 3.01Å
288	Y	31.9	Very low	32.3	Very low	48 Å²	48	97.6 Å²	97.6	19%	0.188	50%	0.503	C	S	.	.	H	α-helix	trans	-82.9	-47.3	168.5	-154.8	-100.9	0	0	0	113.6	Q285 E286 S360 L363	Q285-Y288 WeakPolarHBondContact O-CB 3.23Å; E286-Y288 PolarHBondContact O-N 2.63Å; Y288-S360 VanDerWaalsContact CE2-O 3.25Å; Y288-S360 WeakPolarHBondContact CE2-O 3.28Å; Y288-S360 VanDerWaalsContact CZ-O 3.23Å; Y288-S360 PolarHBondContact OH-O 3.5Å; Y288-L363 WeakPolarHBondContact CE1-O 3.29Å; Y288-L363 WeakPolarHBondContact OH-CA 3.33Å; Y288-L363 WeakPolarHBondContact OH-CB 3.23Å; Y288-L363 PolarHBondContact OH-N 2.9Å; Y288-L363 PolarHBondContact OH-O 3.06Å
289	D	28.3	Very low	31.3	Very low	114 Å²	114	105.7 Å²	105.7	61%	0.61	53%	0.534	S	S	*	.	H	α-helix	trans	-76.3	-31	-174.3	-87.6	-13.4	0	0	0	114.4	E286 S292	E286-D289 PolarHBondContact O-N 3.07Å; D289-S292 PolarHBondContact O-N 2.91Å
290	I	29	Very low	30.5	Very low	125 Å²	125	110.1 Å²	110.1	64%	0.641	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-30.3	-175.9	-62.7	172.1	0	0	0	111.7	E286 S292	E286-I290 PolarHBondContact O-N 3.42Å; I290-S292 VanDerWaalsContact C-N 3.25Å; I290-S292 PolarHBondContact O-N 3.46Å
291	S	30.1	Very low	29.6	Very low	42 Å²	42	113.1 Å²	113.1	29%	0.294	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.8	-17.1	176.7	-162.4	0	0	0	0	113.1	Y361	S291-Y361 PolarHBondContact OG-OH 2.82Å
292	S	28.9	Very low	29	Very low	75 Å²	75	115.4 Å²	115.4	52%	0.524	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.2	-11.7	-175.7	-169	0	0	0	0	114.7	D289 I290	D289-S292 PolarHBondContact O-N 2.91Å; I290-S292 VanDerWaalsContact C-N 3.25Å; I290-S292 PolarHBondContact O-N 3.46Å
293	K	28.8	Very low	28.4	Very low	187 Å²	187	123.4 Å²	123.4	81%	0.813	63%	0.629	S	S	*	*	S	Bend	trans	-97.5	-15.5	-176.4	-95.9	-178.9	177.4	172.6	0	116.2
294	N	25.9	Very low	27.9	Very low	142 Å²	142	122.4 Å²	122.4	76%	0.759	64%	0.636	S	S	*	*	S	Bend	trans	-115.4	5.7	-172.9	-76.6	2.2	0	0	0	116.3
295	N	26.8	Very low	27.3	Very low	135 Å²	135	127.1 Å²	127.1	72%	0.722	65%	0.652	S	S	*	*			trans	-115.1	76.8	168.2	-68.4	-25.5	0	0	0	107.9
296	L	24.1	Very low	27	Very low	136 Å²	136	133.5 Å²	133.5	71%	0.712	68%	0.682	S	S	*	*				67.2	112.1	92.3	-168.1	68.7	0	0	0	111.2	F298	L296-F298 VanDerWaalsContact C-N 3.3Å; L296-F298 PolarHBondContact O-N 3.09Å
297	E	22.1	Very low	26.6	Very low	195 Å²	195	137.2 Å²	137.2	91%	0.911	70%	0.699	S	S	*	*			trans	-40.2	94.4	152.3	-69.3	169.4	133.9	0	0	109.4
298	F	23.7	Very low	26.5	Very low	182 Å²	182	140.5 Å²	140.5	80%	0.798	71%	0.708	S	S	*	*			trans	-113.5	125.6	164	-162.7	-99.7	0	0	0	108.6	L296	L296-F298 VanDerWaalsContact C-N 3.3Å; L296-F298 PolarHBondContact O-N 3.09Å
299	Y	23.4	Very low	26.1	Very low	186 Å²	186	146.2 Å²	146.2	73%	0.729	74%	0.736	S	S	*	*			trans	-54.4	137.4	-166.7	-140	-115.1	0	0	0	111.9	D301	Y299-D301 VanDerWaalsContact C-N 3.29Å; Y299-D301 PolarHBondContact O-N 3.32Å
300	L	24.7	Very low	26	Very low	175 Å²	175	146.2 Å²	146.2	92%	0.916	75%	0.745	S	S	*	*			trans	-60.8	88.9	162.7	-73.8	154.9	0	0	0	108.6
301	D	24.6	Very low	25.8	Very low	109 Å²	109	144.6 Å²	144.6	58%	0.583	75%	0.75	S	S	*	*			trans	-104	112.3	162.6	-82.2	-24.5	0	0	0	109.1	Y299 F303	Y299-D301 VanDerWaalsContact C-N 3.29Å; Y299-D301 PolarHBondContact O-N 3.32Å; D301-F303 PolarHBondContact O-N 3.18Å
302	A	26.2	Very low	25.4	Very low	88 Å²	88	146.4 Å²	146.4	73%	0.727	78%	0.776	S	S	*	*			trans	-53.6	117.4	168.8	0	0	0	0	0	109.5
303	F	26.4	Very low	25.3	Very low	196 Å²	196	151.8 Å²	151.8	86%	0.86	79%	0.792	S	S	*	*			trans	-92.3	107.7	160.1	-74.8	-80.6	0	0	0	106.9	D301	D301-F303 PolarHBondContact O-N 3.18Å
304	D	26.1	Very low	25.2	Very low	146 Å²	146	149.5 Å²	149.5	78%	0.781	80%	0.795	S	S	*	*			trans	-56.1	138.7	172.1	-70.8	-51.2	0	0	0	110.5	E306	D304-E306 PolarHBondContact O-N 3.4Å
305	E	25.7	Very low	25.3	Very low	195 Å²	195	150.6 Å²	150.6	91%	0.911	80%	0.8	S	S	*	*			trans	-67.6	108.8	177.8	-59.9	-155	160.6	0	0	110.4
306	E	27.8	Very low	25.6	Very low	180 Å²	180	149.8 Å²	149.8	84%	0.841	80%	0.804	S	S	*	*			trans	-91.5	106.3	163.8	-73.9	-158.6	165.2	0	0	110.3	D304 V308	D304-E306 PolarHBondContact O-N 3.4Å; E306-V308 PolarHBondContact O-N 3.42Å; E306-V308 VanDerWaalsContact O-N 3.09Å
307	E	23.8	Very low	25.9	Very low	172 Å²	172	152.2 Å²	152.2	80%	0.804	81%	0.812	S	S	*	*			trans	-59.9	92.4	171.7	-166	175.3	-149.2	0	0	110.8
308	V	27.4	Very low	26.5	Very low	123 Å²	123	146 Å²	146	75%	0.745	80%	0.8	S	S	*	*			trans	-97.3	98.3	173.4	-176.9	0	0	0	0	110.1	E306 S310	E306-V308 PolarHBondContact O-N 3.42Å; E306-V308 VanDerWaalsContact O-N 3.09Å; V308-S310 PolarHBondContact O-N 3.37Å
309	H	23.8	Very low	27.2	Very low	168 Å²	168	144.9 Å²	144.9	78%	0.778	80%	0.803	S	S	*	*			trans	-60.2	117.7	156.6	-71.1	-71.5	0	0	0	109.7
310	S	25.9	Very low	28	Very low	114 Å²	114	145.9 Å²	145.9	80%	0.797	81%	0.814	S	S	*	*			trans	-143.3	140.3	159.2	-168.3	0	0	0	0	111.6	V308	V308-S310 PolarHBondContact O-N 3.37Å
311	A	25.4	Very low	29.1	Very low	90 Å²	90	140 Å²	140	74%	0.744	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-71.8	153.2	-159.8	0	0	0	0	0	113.6	E313	A311-E313 PolarHBondContact O-N 3.4Å
312	G	22.9	Very low	30.2	Very low	81 Å²	81	142.3 Å²	142.3	84%	0.835	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-56.9	130.3	-176.6	0	0	0	0	0	114
313	E	26.5	Very low	31.7	Very low	187 Å²	187	142.6 Å²	142.6	87%	0.874	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-95.3	128.1	158.7	-73.8	-173.4	152.1	0	0	109	A311 L315	A311-E313 PolarHBondContact O-N 3.4Å; E313-L315 PolarHBondContact O-N 2.91Å
314	T	25.2	Very low	33.6	Very low	140 Å²	140	136.5 Å²	136.5	86%	0.859	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-52.7	116.3	178.8	40.6	0	0	0	0	111.3	S316	T314-S316 PolarHBondContact O-N 2.81Å
315	L	29.6	Very low	34.9	Very low	165 Å²	165	133 Å²	133	86%	0.864	77%	0.766	S	S	*	*			trans	-52.6	110.7	168	-66.5	164.1	0	0	0	108.9	E313 E317	E313-L315 PolarHBondContact O-N 2.91Å; L315-E317 PolarHBondContact O-N 3.47Å; L315-E317 VanDerWaalsContact O-N 3.1Å
316	S	32.7	Very low	36.2	Very low	117 Å²	117	130.6 Å²	130.6	82%	0.818	76%	0.755	S	S	*	*			trans	-63.4	110.3	162.6	-179	0	0	0	0	106.6	T314 G318	T314-S316 PolarHBondContact O-N 2.81Å; S316-G318 PolarHBondContact O-N 3.12Å
317	E	31.3	Very low	37.8	Very low	187 Å²	187	126.3 Å²	126.3	87%	0.874	74%	0.738	S	S	*	*			trans	-60	74.7	172.4	-63.8	177.3	160	0	0	109.5	L315 N319	L315-E317 PolarHBondContact O-N 3.47Å; L315-E317 VanDerWaalsContact O-N 3.1Å; E317-N319 PolarHBondContact O-N 3.02Å
318	G	34.3	Very low	39.4	Very low	64 Å²	64	118.4 Å²	118.4	66%	0.66	70%	0.702	S	S	*	*			trans	-71.4	116.9	162.3	0	0	0	0	0	106.8	S316 E320	S316-G318 PolarHBondContact O-N 3.12Å; G318-E320 PolarHBondContact O-N 3.1Å
319	N	37.8	Very low	40.6	Very low	160 Å²	160	115.8 Å²	115.8	86%	0.856	68%	0.682	S	S	*	*			trans	-29.5	137.3	173.2	-91.4	3.4	0	0	0	111.9	E317 G321	E317-N319 PolarHBondContact O-N 3.02Å; N319-G321 PolarHBondContact O-N 2.52Å
320	E	39.5	Very low	42.2	Very low	207 Å²	207	111.6 Å²	111.6	97%	0.967	67%	0.668	S	S	*	*			trans	-61.8	56.7	163.4	-65.5	-176.6	151	0	0	110.7	G318 D322	G318-E320 PolarHBondContact O-N 3.1Å; E320-D322 PolarHBondContact O-N 3.12Å
321	G	47.7	Very low	44	Very low	50 Å²	50	108 Å²	108	52%	0.515	65%	0.646	S	S	.	*			trans	-66.1	115	163.4	0	0	0	0	0	105.8	N319 I323	N319-G321 PolarHBondContact O-N 2.52Å; G321-I323 PolarHBondContact O-N 2.72Å
322	D	48.7	Very low	45.4	Very low	158 Å²	158	103.8 Å²	103.8	85%	0.845	61%	0.61	S	S	*	*			trans	-44.6	107.2	168.3	-145.4	4.6	0	0	0	107.5	E320 T324	E320-D322 PolarHBondContact O-N 3.12Å; D322-T324 PolarHBondContact O-N 3.03Å
323	I	58.4	Low	46.7	Very low	94 Å²	94	103.5 Å²	103.5	48%	0.482	59%	0.589	S	S	.	*			trans	-63.1	114.1	-176.2	-90.7	164.8	0	0	0	106.3	G321 A328	G321-I323 PolarHBondContact O-N 2.72Å; I323-A328 HydrophobicContact CG2-CB 3.99Å
324	T	64.9	Low	48.4	Very low	68 Å²	68	97.4 Å²	97.4	42%	0.417	57%	0.567	S	S	.	*			trans	-70.1	153.1	178.9	71.1	0	0	0	0	109.2	D322 E326 D327 A328	D322-T324 PolarHBondContact O-N 3.03Å; T324-E326 PolarHBondContact O-N 3.48Å; T324-D327 PolarHBondContact O-N 2.83Å; T324-D327 VanDerWaalsContact O-N 3.08Å; T324-D327 PolarHBondContact OG1-N 3.32Å; T324-D327 VanDerWaalsContact OG1-N 3.13Å; T324-D327 PolarHBondContact OG1-OD2 2.83Å; T324-A328 PolarHBondContact O-N 2.96Å
325	A	54.9	Low	49.9	Very low	73 Å²	73	92.1 Å²	92.1	60%	0.603	53%	0.532	S	S	*	.	H	α-helix	trans	-56.7	-34.4	175.1	0	0	0	0	0	111.7	A328 E329	A325-A328 PolarHBondContact O-N 2.7Å; A325-E329 WeakPolarHBondContact O-CG 3.34Å; A325-E329 PolarHBondContact O-N 3.37Å
326	E	51.5	Low	50.8	Low	144 Å²	144	84.6 Å²	84.6	67%	0.673	49%	0.493	S	S	*	.	H	α-helix	trans	-66.2	-41.8	175.6	-172.6	176.7	-179.4	0	0	112.1	T324 A328 E329 T330	T324-E326 PolarHBondContact O-N 3.48Å; E326-A328 VanDerWaalsContact C-N 3.34Å; E326-E329 PolarHBondContact O-N 2.82Å; E326-T330 WeakPolarHBondContact O-CB 3.47Å; E326-T330 PolarHBondContact O-N 2.81Å; E326-T330 PolarHBondContact O-OG1 3.37Å
327	D	62.8	Low	51.8	Low	90 Å²	90	87.6 Å²	87.6	48%	0.481	49%	0.486	S	S	.	.	H	α-helix	trans	-64.6	-40	175.1	-66.1	-43.5	0	0	0	111.3	T324 T330 A331	T324-D327 PolarHBondContact O-N 2.83Å; T324-D327 VanDerWaalsContact O-N 3.08Å; T324-D327 PolarHBondContact OG1-N 3.32Å; T324-D327 VanDerWaalsContact OG1-N 3.13Å; T324-D327 PolarHBondContact OG1-OD2 2.83Å; D327-T330 PolarHBondContact O-N 2.58Å; D327-A331 VanDerWaalsContact O-CB 3.32Å; D327-A331 WeakPolarHBondContact O-CB 2.98Å; D327-A331 PolarHBondContact O-N 2.99Å
328	A	57.5	Low	52.7	Low	7 Å²	7	85 Å²	85	6%	0.058	47%	0.468	C	S	.	.	H	α-helix	trans	-65.7	-42.7	177	0	0	0	0	0	112.3	Q116 A119 I323 T324 A325 E326 T330 A331 A332	Q116-A328 HydrophobicContact CB-CB 3.88Å; Q116-A328 HydrophobicContact CG-CB 3.51Å; A119-A328 HydrophobicContact CB-CB 4.37Å; I323-A328 HydrophobicContact CG2-CB 3.99Å; T324-A328 PolarHBondContact O-N 2.96Å; A325-A328 PolarHBondContact O-N 2.7Å; E326-A328 VanDerWaalsContact C-N 3.34Å; A328-T330 VanDerWaalsContact C-N 3.34Å; A328-A331 PolarHBondContact O-N 3.48Å; A328-A332 WeakPolarHBondContact O-CB 3.46Å; A328-A332 PolarHBondContact O-N 2.75Å
329	E	52.6	Low	53.3	Low	67 Å²	67	86.7 Å²	86.7	31%	0.313	46%	0.455	S	S	.	.	H	α-helix	trans	-61.4	-43.4	172.8	-76.2	-175	179.7	0	0	111.2	A119 R157 A325 E326 A332 L333	A119-E329 HydrophobicContact CB-CB 4.38Å; A119-E329 HydrophobicContact CB-CG 3.6Å; R157-E329 IonicContact NH2-OE1 2.73Å; A325-E329 WeakPolarHBondContact O-CG 3.34Å; A325-E329 PolarHBondContact O-N 3.37Å; E326-E329 PolarHBondContact O-N 2.82Å; E329-A332 PolarHBondContact O-N 2.87Å; E329-L333 WeakPolarHBondContact O-CB 3.38Å; E329-L333 WeakPolarHBondContact O-CG 3.42Å; E329-L333 PolarHBondContact O-N 3.32Å
330	T	56.8	Low	53.3	Low	80 Å²	80	82.5 Å²	82.5	49%	0.491	43%	0.433	S	S	.	.	H	α-helix	trans	-66	-40.8	178.6	-55.7	0	0	0	0	111.6	E326 D327 A328 L333 S334	E326-T330 WeakPolarHBondContact O-CB 3.47Å; E326-T330 PolarHBondContact O-N 2.81Å; E326-T330 PolarHBondContact O-OG1 3.37Å; D327-T330 PolarHBondContact O-N 2.58Å; A328-T330 VanDerWaalsContact C-N 3.34Å; T330-L333 PolarHBondContact O-N 2.8Å; T330-S334 VanDerWaalsContact O-CB 3.25Å; T330-S334 WeakPolarHBondContact O-CB 3.37Å; T330-S334 PolarHBondContact O-N 3.46Å
331	A	63	Low	53.1	Low	40 Å²	40	82.2 Å²	82.2	33%	0.331	42%	0.423	S	S	.	.	H	α-helix	trans	-62.8	-45.8	173.7	0	0	0	0	0	111.1	D327 A328 S334 R335	D327-A331 VanDerWaalsContact O-CB 3.32Å; D327-A331 WeakPolarHBondContact O-CB 2.98Å; D327-A331 PolarHBondContact O-N 2.99Å; A328-A331 PolarHBondContact O-N 3.48Å; A331-S334 PolarHBondContact O-N 2.73Å; A331-R335 WeakPolarHBondContact O-CG 3.22Å; A331-R335 PolarHBondContact O-N 3.18Å; A331-R335 PolarHBondContact O-NE 3.32Å
332	A	54.2	Low	52.4	Low	0 Å²	0	84.3 Å²	84.3	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-59.2	-48.6	175	0	0	0	0	0	112	A123 A328 E329 S334 R335 C336	A123-A332 HydrophobicContact CB-CB 3.7Å; A328-A332 WeakPolarHBondContact O-CB 3.46Å; A328-A332 PolarHBondContact O-N 2.75Å; E329-A332 PolarHBondContact O-N 2.87Å; A332-S334 PolarHBondContact O-N 2.88Å; A332-R335 WeakPolarHBondContact O-CB 3.4Å; A332-R335 PolarHBondContact O-N 3.2Å; A332-R335 VanDerWaalsContact O-N 3.17Å; A332-C336 PolarHBondContact O-N 3.1Å; A332-C336 PolarHBondContact O-SG 3.1Å
333	L	51.8	Low	51.8	Low	75 Å²	75	83 Å²	83	39%	0.393	43%	0.428	S	S	.	.	H	α-helix	trans	-62.6	-42	177.3	-74	173.6	0	0	0	112.8	A123 E329 T330 R335 C336 R337	A123-L333 HydrophobicContact CB-CD2 3.88Å; A123-L333 HydrophobicContact CB-CG 4.18Å; E329-L333 WeakPolarHBondContact O-CB 3.38Å; E329-L333 WeakPolarHBondContact O-CG 3.42Å; E329-L333 PolarHBondContact O-N 3.32Å; T330-L333 PolarHBondContact O-N 2.8Å; L333-R335 PolarHBondContact O-N 2.84Å; L333-C336 PolarHBondContact O-N 3.3Å; L333-R337 WeakPolarHBondContact O-CG 3.15Å; L333-R337 PolarHBondContact O-N 3.22Å
334	S	61.2	Low	50.7	Low	59 Å²	59	86.5 Å²	86.5	41%	0.413	44%	0.442	S	S	.	.	H	α-helix	trans	-59.4	-38.5	175.3	-178.4	0	0	0	0	111.3	T330 A331 A332 R338	T330-S334 VanDerWaalsContact O-CB 3.25Å; T330-S334 WeakPolarHBondContact O-CB 3.37Å; T330-S334 PolarHBondContact O-N 3.46Å; A331-S334 PolarHBondContact O-N 2.73Å; A332-S334 PolarHBondContact O-N 2.88Å; S334-R338 PolarHBondContact O-N 3.18Å
335	R	56.4	Low	49.3	Very low	30 Å²	30	92.2 Å²	92.2	11%	0.113	46%	0.464	C	S	.	.	H	α-helix	trans	-69.3	-44.9	175.4	-68.6	177.4	-63.1	-154.4	7.5	112	D115 A331 A332 L333 R337 R338 Y339 S354	D115-R335 IonicContact OD1-CZ 2.75Å; D115-R335 IonicContact OD1-NH1 3.42Å; D115-R335 PolarHBondContact OD1-NH1 2.87Å; D115-R335 IonicContact OD1-NH2 3.85Å; D115-R335 PolarHBondContact OD1-NH2 3.39Å; A331-R335 WeakPolarHBondContact O-CG 3.22Å; A331-R335 PolarHBondContact O-N 3.18Å; A331-R335 PolarHBondContact O-NE 3.32Å; A332-R335 WeakPolarHBondContact O-CB 3.4Å; A332-R335 PolarHBondContact O-N 3.2Å; A332-R335 VanDerWaalsContact O-N 3.17Å; L333-R335 PolarHBondContact O-N 2.84Å; R335-R337 VanDerWaalsContact C-N 3.31Å; R335-R337 PolarHBondContact O-N 2.84Å; R335-R338 WeakPolarHBondContact O-CB 3.03Å; R335-R338 PolarHBondContact O-N 3.43Å; R335-Y339 WeakPolarHBondContact O-CD2 3.5Å; R335-S354 WeakPolarHBondContact CD-O 3.5Å; R335-S354 PolarHBondContact NE-O 3.48Å; R335-S354 PolarHBondContact NH1-O 2.83Å
336	C	49.2	Very low	48.4	Very low	7 Å²	7	95.8 Å²	95.8	5%	0.047	47%	0.468	C	S	.	.	H	α-helix	trans	-58	-41.2	173.9	-61.5	0	0	0	0	112.5	Y124 A127 A332 L333 R338 Y339 L340	Y124-C336 VanDerWaalsContact CD1-SG 3.58Å; Y124-C336 VanDerWaalsContact CE1-SG 3.51Å; A127-C336 HydrophobicContact CB-CB 4.12Å; A332-C336 PolarHBondContact O-N 3.1Å; A332-C336 PolarHBondContact O-SG 3.1Å; L333-C336 PolarHBondContact O-N 3.3Å; C336-R338 VanDerWaalsContact C-N 3.33Å; C336-R338 PolarHBondContact O-N 3.08Å; C336-Y339 PolarHBondContact O-N 3.47Å; C336-L340 PolarHBondContact O-N 2.74Å
337	R	53.1	Low	47.2	Very low	180 Å²	180	97.5 Å²	97.5	68%	0.679	48%	0.476	S	S	*	.	H	α-helix	trans	-64.2	-33.7	178.2	-73.9	177.5	-175	174.4	4	113.3	L333 R335 Y339 L340	L333-R337 WeakPolarHBondContact O-CG 3.15Å; L333-R337 PolarHBondContact O-N 3.22Å; R335-R337 VanDerWaalsContact C-N 3.31Å; R335-R337 PolarHBondContact O-N 2.84Å; R337-Y339 PolarHBondContact O-N 3.3Å; R337-L340 PolarHBondContact O-N 2.79Å
338	R	49.9	Very low	45.9	Very low	132 Å²	132	101.4 Å²	101.4	50%	0.498	49%	0.489	S	S	.	.	H	α-helix	trans	-61.8	-29.2	175.8	-79.2	-172.3	-98.2	171.2	-7	112.3	S334 R335 C336	S334-R338 PolarHBondContact O-N 3.18Å; R335-R338 WeakPolarHBondContact O-CB 3.03Å; R335-R338 PolarHBondContact O-N 3.43Å; C336-R338 VanDerWaalsContact C-N 3.33Å; C336-R338 PolarHBondContact O-N 3.08Å
339	Y	47.1	Very low	44.6	Very low	99 Å²	99	106.6 Å²	106.6	39%	0.388	53%	0.525	S	S	.	.	H	α-helix	trans	-89.3	-26.9	-179	-68.5	-69.3	0	0	0	114.7	R335 C336 R337 R341 S353	R335-Y339 WeakPolarHBondContact O-CD2 3.5Å; C336-Y339 PolarHBondContact O-N 3.47Å; R337-Y339 PolarHBondContact O-N 3.3Å; Y339-R341 PolarHBondContact O-N 3.32Å; Y339-S353 WeakPolarHBondContact OH-CB 3.48Å; Y339-S353 PolarHBondContact OH-O 2.91Å; Y339-S353 PolarHBondContact OH-OG 2.8Å
340	L	39	Very low	43.9	Very low	72 Å²	72	107.8 Å²	107.8	38%	0.377	53%	0.533	S	S	.	.	S	Bend	trans	-71.6	-3.7	174.1	-69.9	170.6	0	0	0	113	A131 M134 C336 R337	A131-L340 HydrophobicContact CB-CD2 3.99Å; M134-L340 HydrophobicContact CE-CB 4.49Å; M134-L340 HydrophobicContact CE-CD2 4.33Å; C336-L340 PolarHBondContact O-N 2.74Å; R337-L340 PolarHBondContact O-N 2.79Å
341	R	34.9	Very low	42.8	Very low	202 Å²	202	109.6 Å²	109.6	76%	0.762	55%	0.549	S	S	*	.	S	Bend	trans	-75.6	131.1	174.3	-112.4	-177.6	-172.2	173	3.3	109.8	Y339	Y339-R341 PolarHBondContact O-N 3.32Å
342	P	31.9	Very low	42	Very low	94 Å²	94	112.1 Å²	112.1	61%	0.61	56%	0.561	S	S	*	*			trans	-57.5	151.8	173.8	21.8	-30.6	0	0	0	111	Q344	P342-Q344 PolarHBondContact O-N 2.97Å
343	P	36.5	Very low	41.9	Very low	131 Å²	131	113.4 Å²	113.4	85%	0.851	57%	0.57	S	S	*	*	S	Bend	trans	-71.5	73.3	-177.3	29.7	-34.6	0	0	0	110.9
344	Q	36	Very low	42.1	Very low	166 Å²	166	110.6 Å²	110.6	78%	0.776	56%	0.556	S	S	*	*	S	Bend	trans	-102	105	160.4	-75.8	-177.2	-15.3	0	0	106.7	P342	P342-Q344 PolarHBondContact O-N 2.97Å
345	Q	36.2	Very low	42.1	Very low	189 Å²	189	107.8 Å²	107.8	88%	0.883	54%	0.536	S	S	*	.			trans	55.4	63.9	163	-62.7	171.6	-28.1	0	0	115.3	Q347	Q345-Q347 VanDerWaalsContact C-N 3.32Å; Q345-Q347 PolarHBondContact O-N 3.49Å
346	Q	34.4	Very low	42.5	Very low	148 Å²	148	110.7 Å²	110.7	69%	0.692	55%	0.547	S	S	*	.			trans	-90.1	75.2	158.4	-84.8	175.9	-18	0	0	109.6	F348	Q346-F348 VanDerWaalsContact C-N 3.28Å; Q346-F348 PolarHBondContact O-N 2.91Å
347	Q	27.1	Very low	43.2	Very low	180 Å²	180	113.1 Å²	113.1	84%	0.841	57%	0.565	S	S	*	*			trans	-85.4	74.7	153.3	-81.8	-175.9	-38.9	0	0	107.5	Q345	Q345-Q347 VanDerWaalsContact C-N 3.32Å; Q345-Q347 PolarHBondContact O-N 3.49Å
348	F	35.3	Very low	43.5	Very low	171 Å²	171	105.3 Å²	105.3	75%	0.75	54%	0.537	S	S	*	.			trans	-143.3	111.7	163.1	-100.8	-82.6	0	0	0	108.4	Q346 D350	Q346-F348 VanDerWaalsContact C-N 3.28Å; Q346-F348 PolarHBondContact O-N 2.91Å; F348-D350 PolarHBondContact O-N 2.94Å
349	S	30.7	Very low	43.6	Very low	116 Å²	116	105.8 Å²	105.8	81%	0.811	55%	0.545	S	S	*	.			trans	-73.4	45.5	176	50.6	0	0	0	0	111.7	S351	S349-S351 PolarHBondContact O-N 3.25Å
350	D	36.5	Very low	43.5	Very low	93 Å²	93	102 Å²	102	50%	0.497	53%	0.533	S	S	.	.			trans	-89.5	93.6	-178.8	-71.1	-10.7	0	0	0	109.1	F348 T352	F348-D350 PolarHBondContact O-N 2.94Å; D350-T352 PolarHBondContact O-N 2.84Å
351	S	34.9	Very low	43.6	Very low	117 Å²	117	103.1 Å²	103.1	82%	0.818	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	18.1	172.2	-48.1	0	0	0	0	114.1	S349	S349-S351 PolarHBondContact O-N 3.25Å
352	T	45.8	Very low	43.7	Very low	94 Å²	94	96.9 Å²	96.9	58%	0.577	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	6.8	-171	53.4	0	0	0	0	114	Q112 D350 S354	Q112-T352 PolarHBondContact NE2-O 3.19Å; Q112-T352 VanDerWaalsContact NE2-O 3.16Å; D350-T352 PolarHBondContact O-N 2.84Å; T352-S354 PolarHBondContact O-N 3.44Å
353	S	52.6	Low	44.1	Very low	27 Å²	27	94.5 Å²	94.5	19%	0.189	51%	0.513	C	S	.	.			trans	-88.6	90	-174.3	59.2	0	0	0	0	112.6	Y339 R356	Y339-S353 WeakPolarHBondContact OH-CB 3.48Å; Y339-S353 PolarHBondContact OH-O 2.91Å; Y339-S353 PolarHBondContact OH-OG 2.8Å; S353-R356 VanDerWaalsContact O-CG 3.27Å; S353-R356 WeakPolarHBondContact O-CG 2.86Å; S353-R356 PolarHBondContact O-NE 3.32Å; S353-R356 VanDerWaalsContact O-NE 3.13Å; S353-R356 PolarHBondContact OG-NH2 3.27Å
354	S	55.7	Low	44.1	Very low	15 Å²	15	96.6 Å²	96.6	11%	0.105	51%	0.512	C	S	.	.			trans	-126	152.9	-177.8	-67	0	0	0	0	112.9	D110 Q112 R335 T352	D110-S354 WeakPolarHBondContact O-CB 2.88Å; D110-S354 PolarHBondContact O-OG 2.68Å; Q112-S354 WeakPolarHBondContact CG-OG 3.26Å; Q112-S354 PolarHBondContact NE2-OG 3.48Å; R335-S354 WeakPolarHBondContact CD-O 3.5Å; R335-S354 PolarHBondContact NE-O 3.48Å; R335-S354 PolarHBondContact NH1-O 2.83Å; T352-S354 PolarHBondContact O-N 3.44Å
355	P	61	Low	44.2	Very low	0 Å²	0	91.9 Å²	91.9	0%	0	49%	0.49	C	S	.	.	S	Bend	cis	-77.7	153.3	-18.2	29.5	-24.8	0	0	0	109.4	R109 W111 D115 C120 Y124	R109-P355 CarbonylContact O-C 3.44Å; R109-P355 VanDerWaalsContact O-CA 3.24Å; R109-P355 WeakPolarHBondContact O-CA 3.27Å; R109-P355 VanDerWaalsContact O-CB 3.26Å; R109-P355 WeakPolarHBondContact O-CB 3.36Å; W111-P355 HydrophobicContact CD2-CB 4.23Å; W111-P355 HydrophobicContact CE3-CB 4.1Å; W111-P355 HydrophobicContact CE3-CG 4.12Å; W111-P355 HydrophobicContact CZ3-CG 4.15Å; D115-P355 VanDerWaalsContact OD2-CD 3.29Å; D115-P355 WeakPolarHBondContact OD2-CD 3.38Å; C120-P355 HydrophobicContact CB-CG 4.25Å; Y124-P355 HydrophobicContact CE2-CG 4.04Å; Y124-P355 PolarHBondContact OH-O 2.86Å
356	R	65	Low	44.3	Very low	91 Å²	91	90.7 Å²	90.7	34%	0.343	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136.6	178.5	-60.8	-169.5	176.4	174.6	-10.6	110	L108 R109 D110 S353 V358	L108-R356 CarbonylContact C-O 3.56Å; L108-R356 WeakPolarHBondContact CA-O 3.1Å; R109-R356 HydrophobicContact CG-CB 3.97Å; R109-R356 PolarHBondContact N-O 3.49Å; R109-R356 PolarHBondContact O-N 3.42Å; D110-R356 HydrophobicContact CB-CG 4.38Å; D110-R356 VanDerWaalsContact OD2-CD 3.23Å; D110-R356 WeakPolarHBondContact OD2-CD 3.17Å; D110-R356 IonicContact OD2-NE 3.2Å; S353-R356 VanDerWaalsContact O-CG 3.27Å; S353-R356 WeakPolarHBondContact O-CG 2.86Å; S353-R356 PolarHBondContact O-NE 3.32Å; S353-R356 VanDerWaalsContact O-NE 3.13Å; S353-R356 PolarHBondContact OG-NH2 3.27Å; R356-V358 PolarHBondContact O-N 2.9Å
357	S	63	Low	44.6	Very low	59 Å²	59	92 Å²	92	41%	0.413	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	126.6	167.2	-169.1	0	0	0	0	108.4	G107	G107-S357 WeakPolarHBondContact O-CA 3Å
358	V	60	Low	45.5	Very low	15 Å²	15	86.2 Å²	86.2	9%	0.091	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	136.8	165.8	-173.3	0	0	0	0	107.7	E98 G107 R109 R356 S360	E98-V358 HydrophobicContact CG-CG2 4Å; E98-V358 VanDerWaalsContact OE1-CG1 3.3Å; E98-V358 WeakPolarHBondContact OE1-CG1 3.45Å; G107-V358 PolarHBondContact O-N 3.19Å; R109-V358 HydrophobicContact CB-CG2 3.51Å; R109-V358 HydrophobicContact CG-CG2 3.41Å; R109-V358 VanDerWaalsContact CG-CG2 3.41Å; R356-V358 PolarHBondContact O-N 2.9Å; V358-S360 PolarHBondContact O-N 2.86Å; V358-S360 VanDerWaalsContact O-N 3.08Å
359	E	51.6	Low	46.1	Very low	142 Å²	142	83.6 Å²	83.6	66%	0.664	45%	0.45	S	S	*	.			trans	-68.7	101.3	164.7	-67.9	-179.2	170.5	0	0	107.2	Y361	E359-Y361 HydrophobicContact CB-CD2 3.52Å; E359-Y361 HydrophobicContact CB-CE2 3.49Å; E359-Y361 VanDerWaalsContact CB-CE2 3.49Å; E359-Y361 HydrophobicContact CB-CG 4.5Å; E359-Y361 HydrophobicContact CG-CD2 4.43Å; E359-Y361 HydrophobicContact CG-CE2 3.94Å; E359-Y361 PolarHBondContact O-N 3.32Å; E359-Y361 WeakPolarHBondContact OE2-CE2 3.03Å
360	S	45.3	Very low	47	Very low	20 Å²	20	78.4 Å²	78.4	14%	0.14	41%	0.413	C	S	.	.			trans	-62.6	10.6	-169.2	-62.7	0	0	0	0	115.4	G105 G107 Y288 V358 G362 L363	G105-S360 WeakPolarHBondContact O-CB 3.4Å; G105-S360 PolarHBondContact O-OG 3.3Å; G107-S360 PolarHBondContact N-OG 3.03Å; G107-S360 VanDerWaalsContact N-OG 3.17Å; Y288-S360 VanDerWaalsContact CE2-O 3.25Å; Y288-S360 WeakPolarHBondContact CE2-O 3.28Å; Y288-S360 VanDerWaalsContact CZ-O 3.23Å; Y288-S360 PolarHBondContact OH-O 3.5Å; V358-S360 PolarHBondContact O-N 2.86Å; V358-S360 VanDerWaalsContact O-N 3.08Å; S360-G362 PolarHBondContact O-N 3.32Å; S360-L363 PolarHBondContact O-N 3.41Å
361	Y	40.9	Very low	47.8	Very low	96 Å²	96	76.2 Å²	76.2	38%	0.376	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-11	-170.3	-57.9	-57.3	0	0	0	115.8	S291 E359	S291-Y361 PolarHBondContact OG-OH 2.82Å; E359-Y361 HydrophobicContact CB-CD2 3.52Å; E359-Y361 HydrophobicContact CB-CE2 3.49Å; E359-Y361 VanDerWaalsContact CB-CE2 3.49Å; E359-Y361 HydrophobicContact CB-CG 4.5Å; E359-Y361 HydrophobicContact CG-CD2 4.43Å; E359-Y361 HydrophobicContact CG-CE2 3.94Å; E359-Y361 PolarHBondContact O-N 3.32Å; E359-Y361 WeakPolarHBondContact OE2-CE2 3.03Å
362	G	38.3	Very low	49.1	Very low	71 Å²	71	77.7 Å²	77.7	73%	0.732	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-16.3	-177.2	0	0	0	0	0	116.9	S360 Q364	S360-G362 PolarHBondContact O-N 3.32Å; G362-Q364 PolarHBondContact O-N 3.16Å; G362-Q364 VanDerWaalsContact O-N 3.14Å
363	L	40.2	Very low	50	Low	44 Å²	44	73.3 Å²	73.3	23%	0.23	36%	0.364	C	S	.	.			trans	-81.3	98.6	179.8	-70	-176.7	0	0	0	111.3	F91 I100 Y288 S360 M365	F91-L363 HydrophobicContact CZ-CD1 3.99Å; I100-L363 HydrophobicContact CB-CD1 4.26Å; I100-L363 HydrophobicContact CD1-CD1 3.43Å; I100-L363 VanDerWaalsContact CD1-CD1 3.43Å; I100-L363 HydrophobicContact CD1-CD2 4.25Å; I100-L363 HydrophobicContact CD1-CG 3.66Å; I100-L363 HydrophobicContact CG1-CD1 4.4Å; I100-L363 HydrophobicContact CG2-CD1 3.74Å; Y288-L363 WeakPolarHBondContact CE1-O 3.29Å; Y288-L363 WeakPolarHBondContact OH-CA 3.33Å; Y288-L363 WeakPolarHBondContact OH-CB 3.23Å; Y288-L363 PolarHBondContact OH-N 2.9Å; Y288-L363 PolarHBondContact OH-O 3.06Å; S360-L363 PolarHBondContact O-N 3.41Å; L363-M365 VanDerWaalsContact C-N 3.27Å; L363-M365 PolarHBondContact O-N 3.32Å
364	Q	36.5	Very low	50.7	Low	175 Å²	175	74 Å²	74	82%	0.818	36%	0.363	S	S	*	.			trans	-58.8	90.9	162.4	-69.3	-78.7	-42.6	0	0	109.3	G362 K366	G362-Q364 PolarHBondContact O-N 3.16Å; G362-Q364 VanDerWaalsContact O-N 3.14Å; Q364-K366 VanDerWaalsContact C-N 3.31Å; Q364-K366 PolarHBondContact O-N 2.94Å
365	M	36.9	Very low	51.5	Low	66 Å²	66	77.6 Å²	77.6	33%	0.325	38%	0.378	S	S	.	.			trans	-67.2	94.3	171.8	-70.2	-168.9	-171.6	0	0	107.5	R43 L363 K367	R43-M365 HydrophobicContact CB-SD 4.33Å; R43-M365 HydrophobicContact CG-SD 4.18Å; L363-M365 VanDerWaalsContact C-N 3.27Å; L363-M365 PolarHBondContact O-N 3.32Å; M365-K367 PolarHBondContact O-N 3.03Å
366	K	38.7	Very low	52	Low	164 Å²	164	77.7 Å²	77.7	71%	0.713	38%	0.379	S	S	*	.			trans	-61.2	117	165.7	-72.3	-173.2	178.5	-178.1	0	106.1	Q364 I368	Q364-K366 VanDerWaalsContact C-N 3.31Å; Q364-K366 PolarHBondContact O-N 2.94Å; K366-I368 HydrophobicContact CB-CG1 4.21Å; K366-I368 PolarHBondContact O-N 3.14Å
367	K	40.1	Very low	52.2	Low	176 Å²	176	73.5 Å²	73.5	77%	0.765	36%	0.363	S	S	*	.			trans	-57	91.1	164	-74.9	-176	179	179.5	0	107.2	M365 H369	M365-K367 PolarHBondContact O-N 3.03Å; K367-H369 PolarHBondContact O-N 2.56Å
368	I	45.9	Very low	52.6	Low	59 Å²	59	72.8 Å²	72.8	30%	0.303	36%	0.356	S	S	.	.			trans	-83.3	104.4	173.1	-68.8	166.9	0	0	0	104.3	P45 K366 L370	P45-I368 HydrophobicContact CG-CB 4.26Å; P45-I368 HydrophobicContact CG-CD1 3.24Å; P45-I368 HydrophobicContact CG-CG1 4.32Å; P45-I368 HydrophobicContact CG-CG2 4.24Å; K366-I368 HydrophobicContact CB-CG1 4.21Å; K366-I368 PolarHBondContact O-N 3.14Å; I368-L370 PolarHBondContact O-N 3.22Å
369	H	48	Very low	53.4	Low	116 Å²	116	75.7 Å²	75.7	54%	0.537	37%	0.366	S	S	.	.			trans	-63.9	103.6	170.6	-159	-48	0	0	0	106.9	K367	K367-H369 PolarHBondContact O-N 2.56Å
370	L	49.9	Very low	54.3	Low	7 Å²	7	69.1 Å²	69.1	4%	0.037	34%	0.335	C	S	.	.			trans	-58.1	138.8	166.8	-80.4	111.7	0	0	0	107.8	L7 H41 D241 I368 R372 F373	L7-L370 HydrophobicContact CD2-CD2 4.32Å; H41-L370 HydrophobicContact CB-CD1 4.17Å; H41-L370 HydrophobicContact CB-CD2 4.06Å; D241-L370 HydrophobicContact CB-CD1 4.49Å; I368-L370 PolarHBondContact O-N 3.22Å; L370-R372 PolarHBondContact O-N 2.89Å; L370-F373 HydrophobicContact CB-CD2 4.49Å; L370-F373 HydrophobicContact CD2-CD2 4.35Å
371	P	52.9	Low	55.5	Low	47 Å²	47	68.5 Å²	68.5	31%	0.305	33%	0.33	S	S	.	.	S	Bend	trans	-57.3	139.3	172.5	27	-31.9	0	0	0	108.1	C3 F4 F373	C3-P371 VanDerWaalsContact CB-CD 3.42Å; C3-P371 HydrophobicContact CB-CG 4.07Å; F4-P371 HydrophobicContact CB-CG 4.02Å; P371-F373 VanDerWaalsContact C-N 3.33Å; P371-F373 WeakPolarHBondContact O-CA 3.27Å; P371-F373 PolarHBondContact O-N 3.31Å
372	R	62.5	Low	56.8	Low	148 Å²	148	70.4 Å²	70.4	56%	0.558	34%	0.342	S	S	*	.			trans	5.1	76.7	169.4	-74	-179.4	173.1	-147	8.2	113.5	L370 Y374 Q375	L370-R372 PolarHBondContact O-N 2.89Å; R372-Y374 HydrophobicContact CB-CD1 3.74Å; R372-Y374 HydrophobicContact CB-CE1 3.38Å; R372-Y374 WeakPolarHBondContact CD-OH 3.38Å; R372-Y374 HydrophobicContact CG-CD1 4.2Å; R372-Y374 HydrophobicContact CG-CE1 3.5Å; R372-Y374 VanDerWaalsContact CG-CE1 3.5Å; R372-Y374 PolarHBondContact NH1-OH 2.76Å; R372-Y374 PolarHBondContact O-N 3.29Å; R372-Q375 HydrophobicContact CB-CG 3.99Å; R372-Q375 VanDerWaalsContact O-CB 3.31Å; R372-Q375 WeakPolarHBondContact O-CB 3.33Å; R372-Q375 PolarHBondContact O-N 3.25Å
373	F	65.7	Low	58.2	Low	2 Å²	2	74 Å²	74	1%	0.009	33%	0.334	C	S	.	.	H	α-helix	trans	-58.9	-25.5	-171.7	-165.1	-86.9	0	0	0	112.5	L7 L34 L38 V244 L370 P371 Q375 F376 L377	L7-F373 HydrophobicContact CD2-CD2 4.2Å; L7-F373 HydrophobicContact CD2-CE2 3.33Å; L7-F373 HydrophobicContact CD2-CZ 3.94Å; L34-F373 HydrophobicContact CD1-CZ 4.39Å; L38-F373 HydrophobicContact CD1-CE1 3.56Å; L38-F373 HydrophobicContact CD1-CE2 4.44Å; L38-F373 HydrophobicContact CD1-CZ 3.56Å; L38-F373 HydrophobicContact CD2-CD1 3.93Å; L38-F373 HydrophobicContact CD2-CD2 3.58Å; L38-F373 HydrophobicContact CD2-CE1 3.47Å; L38-F373 VanDerWaalsContact CD2-CE1 3.47Å; L38-F373 HydrophobicContact CD2-CE2 3.04Å; L38-F373 HydrophobicContact CD2-CG 4.01Å; L38-F373 HydrophobicContact CD2-CZ 3.04Å; L38-F373 HydrophobicContact CG-CE1 3.69Å; L38-F373 HydrophobicContact CG-CE2 3.64Å; L38-F373 HydrophobicContact CG-CZ 3.15Å; V244-F373 HydrophobicContact CB-CD1 4.2Å; V244-F373 HydrophobicContact CG1-CD1 3.71Å; V244-F373 HydrophobicContact CG1-CE1 3.86Å; V244-F373 HydrophobicContact CG2-CB 4.46Å; V244-F373 HydrophobicContact CG2-CD1 3.95Å; L370-F373 HydrophobicContact CB-CD2 4.49Å; L370-F373 HydrophobicContact CD2-CD2 4.35Å; P371-F373 VanDerWaalsContact C-N 3.33Å; P371-F373 WeakPolarHBondContact O-CA 3.27Å; P371-F373 PolarHBondContact O-N 3.31Å; F373-Q375 PolarHBondContact O-N 3.17Å; F373-F376 AromaticContact CE1-CD1 3.92Å; F373-F376 HydrophobicContact CE1-CD1 3.92Å; F373-F376 AromaticContact CE2-CD1 3.97Å; F373-F376 HydrophobicContact CE2-CD1 3.97Å; F373-F376 HydrophobicContact CE2-CE1 4.5Å; F373-F376 HydrophobicContact CE2-CG 4.45Å; F373-F376 AromaticContact CZ-CD1 3.41Å; F373-F376 HydrophobicContact CZ-CD1 3.41Å; F373-F376 VanDerWaalsContact CZ-CD1 3.41Å; F373-F376 AromaticContact CZ-CE1 3.88Å; F373-F376 HydrophobicContact CZ-CE1 3.88Å; F373-F376 HydrophobicContact CZ-CG 4.27Å; F373-F376 WeakPolarHBondContact O-CA 3.01Å; F373-F376 WeakPolarHBondContact O-CB 3.26Å; F373-F376 PolarHBondContact O-N 3.04Å; F373-L377 HydrophobicContact CD1-CD1 3.96Å; F373-L377 HydrophobicContact CD1-CD2 4.34Å; F373-L377 HydrophobicContact CD1-CG 3.75Å; F373-L377 HydrophobicContact CE1-CD1 4.15Å; F373-L377 HydrophobicContact CE1-CD2 3.71Å; F373-L377 HydrophobicContact CE1-CG 3.61Å; F373-L377 PolarHBondContact O-N 3.26Å
374	Y	66.5	Low	59.1	Low	42 Å²	42	73 Å²	73	17%	0.165	33%	0.327	C	S	.	.	H	α-helix	trans	-54.4	-35.2	170.9	79.1	-103	0	0	0	112.8	T220 R372 F376 L377 V378	T220-Y374 HydrophobicContact CG2-CD1 4.18Å; T220-Y374 HydrophobicContact CG2-CD2 3.23Å; T220-Y374 HydrophobicContact CG2-CE1 4.29Å; T220-Y374 HydrophobicContact CG2-CE2 3.43Å; T220-Y374 VanDerWaalsContact CG2-CE2 3.43Å; T220-Y374 HydrophobicContact CG2-CG 3.65Å; R372-Y374 HydrophobicContact CB-CD1 3.74Å; R372-Y374 HydrophobicContact CB-CE1 3.38Å; R372-Y374 WeakPolarHBondContact CD-OH 3.38Å; R372-Y374 HydrophobicContact CG-CD1 4.2Å; R372-Y374 HydrophobicContact CG-CE1 3.5Å; R372-Y374 VanDerWaalsContact CG-CE1 3.5Å; R372-Y374 PolarHBondContact NH1-OH 2.76Å; R372-Y374 PolarHBondContact O-N 3.29Å; Y374-F376 VanDerWaalsContact C-N 3.27Å; Y374-F376 PolarHBondContact O-N 3.39Å; Y374-L377 PolarHBondContact O-N 3.29Å; Y374-V378 VanDerWaalsContact O-CG2 3.29Å; Y374-V378 WeakPolarHBondContact O-CG2 3.5Å; Y374-V378 PolarHBondContact O-N 2.79Å
375	Q	72.1	Confident	59.9	Low	90 Å²	90	68 Å²	68	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-64.1	-37.2	177.1	-66.6	-179.1	-26.3	0	0	111.1	F4 R372 F373 V378 W379	F4-Q375 HydrophobicContact CE2-CB 4.41Å; R372-Q375 HydrophobicContact CB-CG 3.99Å; R372-Q375 VanDerWaalsContact O-CB 3.31Å; R372-Q375 WeakPolarHBondContact O-CB 3.33Å; R372-Q375 PolarHBondContact O-N 3.25Å; F373-Q375 PolarHBondContact O-N 3.17Å; Q375-V378 PolarHBondContact O-N 2.8Å; Q375-W379 WeakPolarHBondContact O-CB 3.3Å; Q375-W379 PolarHBondContact O-N 3.21Å
376	F	71.7	Confident	60.5	Low	2 Å²	2	68.2 Å²	68.2	1%	0.009	32%	0.322	C	S	.	.	H	α-helix	trans	-69.2	-41.9	175.3	-178.8	-93.6	0	0	0	112.3	F4 L7 L11 L34 F373 Y374 V378 W379 W380	F4-F376 HydrophobicContact CD2-CB 3.85Å; F4-F376 HydrophobicContact CD2-CD2 4.12Å; F4-F376 VanDerWaalsContact CE2-CA 3.48Å; F4-F376 HydrophobicContact CE2-CB 3.8Å; F4-F376 AromaticContact CE2-CD2 3.97Å; F4-F376 HydrophobicContact CE2-CD2 3.97Å; F4-F376 HydrophobicContact CE2-CG 4.38Å; L7-F376 HydrophobicContact CB-CD2 4.46Å; L7-F376 HydrophobicContact CB-CE2 4.1Å; L7-F376 HydrophobicContact CD1-CZ 4.25Å; L7-F376 HydrophobicContact CD2-CB 4.28Å; L7-F376 HydrophobicContact CD2-CD1 3.58Å; L7-F376 HydrophobicContact CD2-CD2 3.49Å; L7-F376 VanDerWaalsContact CD2-CD2 3.49Å; L7-F376 HydrophobicContact CD2-CE1 3.53Å; L7-F376 HydrophobicContact CD2-CE2 3.45Å; L7-F376 VanDerWaalsContact CD2-CE2 3.45Å; L7-F376 HydrophobicContact CD2-CG 3.49Å; L7-F376 VanDerWaalsContact CD2-CG 3.49Å; L7-F376 HydrophobicContact CD2-CZ 3.4Å; L7-F376 VanDerWaalsContact CD2-CZ 3.4Å; L7-F376 HydrophobicContact CG-CD1 4.49Å; L7-F376 HydrophobicContact CG-CD2 3.98Å; L7-F376 HydrophobicContact CG-CE1 4.02Å; L7-F376 HydrophobicContact CG-CE2 3.44Å; L7-F376 VanDerWaalsContact CG-CE2 3.44Å; L7-F376 HydrophobicContact CG-CG 4.41Å; L7-F376 HydrophobicContact CG-CZ 3.4Å; L7-F376 VanDerWaalsContact CG-CZ 3.4Å; L11-F376 HydrophobicContact CD1-CE1 4.17Å; L11-F376 HydrophobicContact CD1-CE2 3.97Å; L11-F376 HydrophobicContact CD1-CZ 3.27Å; L11-F376 HydrophobicContact CG-CZ 4.26Å; L34-F376 HydrophobicContact CD1-CD1 4.31Å; L34-F376 HydrophobicContact CD1-CE1 3.48Å; L34-F376 VanDerWaalsContact CD1-CE1 3.48Å; L34-F376 HydrophobicContact CD1-CZ 4.37Å; F373-F376 AromaticContact CE1-CD1 3.92Å; F373-F376 HydrophobicContact CE1-CD1 3.92Å; F373-F376 AromaticContact CE2-CD1 3.97Å; F373-F376 HydrophobicContact CE2-CD1 3.97Å; F373-F376 HydrophobicContact CE2-CE1 4.5Å; F373-F376 HydrophobicContact CE2-CG 4.45Å; F373-F376 AromaticContact CZ-CD1 3.41Å; F373-F376 HydrophobicContact CZ-CD1 3.41Å; F373-F376 VanDerWaalsContact CZ-CD1 3.41Å; F373-F376 AromaticContact CZ-CE1 3.88Å; F373-F376 HydrophobicContact CZ-CE1 3.88Å; F373-F376 HydrophobicContact CZ-CG 4.27Å; F373-F376 WeakPolarHBondContact O-CA 3.01Å; F373-F376 WeakPolarHBondContact O-CB 3.26Å; F373-F376 PolarHBondContact O-N 3.04Å; Y374-F376 VanDerWaalsContact C-N 3.27Å; Y374-F376 PolarHBondContact O-N 3.39Å; F376-V378 VanDerWaalsContact C-N 3.3Å; F376-V378 PolarHBondContact O-N 3.23Å; F376-W379 AromaticContact CD2-CE3 3.85Å; F376-W379 HydrophobicContact CD2-CE3 3.85Å; F376-W379 HydrophobicContact CD2-CZ3 4.2Å; F376-W379 AromaticContact CE2-CE3 3.69Å; F376-W379 HydrophobicContact CE2-CE3 3.69Å; F376-W379 AromaticContact CE2-CZ3 3.57Å; F376-W379 HydrophobicContact CE2-CZ3 3.57Å; F376-W379 HydrophobicContact CZ-CE3 4.34Å; F376-W379 HydrophobicContact CZ-CZ3 4.06Å; F376-W379 PolarHBondContact O-N 2.8Å; F376-W380 VanDerWaalsContact O-CB 3.28Å; F376-W380 WeakPolarHBondContact O-CB 3.26Å; F376-W380 PolarHBondContact O-N 3.3Å
377	L	69.7	Low	60.8	Low	2 Å²	2	64.7 Å²	64.7	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-60.9	-40	173.1	-69.4	174.3	0	0	0	112.2	L34 L212 I215 A216 V244 F373 Y374 S381	L34-L377 HydrophobicContact CD2-CD2 3.86Å; L212-L377 HydrophobicContact CD2-CD2 3.59Å; I215-L377 HydrophobicContact CB-CD1 4.09Å; I215-L377 HydrophobicContact CG2-CD1 3.49Å; I215-L377 VanDerWaalsContact CG2-CD1 3.49Å; A216-L377 HydrophobicContact CB-CB 4.04Å; V244-L377 HydrophobicContact CG1-CD1 4.04Å; V244-L377 HydrophobicContact CG2-CD1 4.17Å; F373-L377 HydrophobicContact CD1-CD1 3.96Å; F373-L377 HydrophobicContact CD1-CD2 4.34Å; F373-L377 HydrophobicContact CD1-CG 3.75Å; F373-L377 HydrophobicContact CE1-CD1 4.15Å; F373-L377 HydrophobicContact CE1-CD2 3.71Å; F373-L377 HydrophobicContact CE1-CG 3.61Å; F373-L377 PolarHBondContact O-N 3.26Å; Y374-L377 PolarHBondContact O-N 3.29Å; L377-S381 VanDerWaalsContact O-CB 3.28Å; L377-S381 WeakPolarHBondContact O-CB 3.32Å; L377-S381 PolarHBondContact O-N 3.44Å; L377-S381 PolarHBondContact O-OG 2.94Å
378	V	71.1	Confident	60.8	Low	45 Å²	45	64.8 Å²	64.8	27%	0.273	32%	0.317	S	S	.	.	H	α-helix	trans	-62.6	-50.8	174.1	171.7	0	0	0	0	110.2	A216 Y374 Q375 F376 W380 S381 H382	A216-V378 HydrophobicContact CB-CG2 3.57Å; Y374-V378 VanDerWaalsContact O-CG2 3.29Å; Y374-V378 WeakPolarHBondContact O-CG2 3.5Å; Y374-V378 PolarHBondContact O-N 2.79Å; Q375-V378 PolarHBondContact O-N 2.8Å; F376-V378 VanDerWaalsContact C-N 3.3Å; F376-V378 PolarHBondContact O-N 3.23Å; V378-W380 PolarHBondContact O-N 3.19Å; V378-S381 WeakPolarHBondContact CA-OG 3.27Å; V378-S381 PolarHBondContact O-N 2.91Å; V378-S381 PolarHBondContact O-OG 3.02Å; V378-H382 PolarHBondContact O-CD2 3.28Å; V378-H382 PolarHBondContact O-N 2.81Å
379	W	76.3	Confident	60.4	Low	76 Å²	76	68.6 Å²	68.6	29%	0.288	34%	0.338	S	S	.	.	H	α-helix	trans	-55.9	-49	177.2	171.3	81.9	0	0	0	112	F4 L11 Q375 F376 S381 H382 R383	F4-W379 HydrophobicContact CE2-CB 4.23Å; F4-W379 HydrophobicContact CZ-CB 3.92Å; F4-W379 HydrophobicContact CZ-CD2 4.32Å; F4-W379 AromaticContact CZ-CG 3.9Å; F4-W379 HydrophobicContact CZ-CG 3.9Å; L11-W379 HydrophobicContact CD1-CH2 4.45Å; L11-W379 HydrophobicContact CD1-CZ3 3.9Å; Q375-W379 WeakPolarHBondContact O-CB 3.3Å; Q375-W379 PolarHBondContact O-N 3.21Å; F376-W379 AromaticContact CD2-CE3 3.85Å; F376-W379 HydrophobicContact CD2-CE3 3.85Å; F376-W379 HydrophobicContact CD2-CZ3 4.2Å; F376-W379 AromaticContact CE2-CE3 3.69Å; F376-W379 HydrophobicContact CE2-CE3 3.69Å; F376-W379 AromaticContact CE2-CZ3 3.57Å; F376-W379 HydrophobicContact CE2-CZ3 3.57Å; F376-W379 HydrophobicContact CZ-CE3 4.34Å; F376-W379 HydrophobicContact CZ-CZ3 4.06Å; F376-W379 PolarHBondContact O-N 2.8Å; W379-S381 PolarHBondContact O-N 2.7Å; W379-H382 PolarHBondContact O-N 3.05Å; W379-R383 PolarHBondContact O-N 3.43Å
380	W	71.9	Confident	59.9	Low	3 Å²	3	69.2 Å²	69.2	1%	0.011	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-41.4	179.2	-170.3	-119	0	0	0	112	L11 F15 L212 F376 V378 H382 R383 W384	L11-W380 HydrophobicContact CB-CZ3 4.47Å; L11-W380 HydrophobicContact CD1-CD2 4.09Å; L11-W380 HydrophobicContact CD1-CE3 3.52Å; L11-W380 HydrophobicContact CD1-CH2 3.97Å; L11-W380 HydrophobicContact CD1-CZ2 4.45Å; L11-W380 HydrophobicContact CD1-CZ3 3.47Å; L11-W380 VanDerWaalsContact CD1-CZ3 3.47Å; L11-W380 HydrophobicContact CD2-CH2 4.09Å; L11-W380 HydrophobicContact CD2-CZ2 4.35Å; L11-W380 HydrophobicContact CD2-CZ3 4.4Å; L11-W380 HydrophobicContact CG-CZ3 4.39Å; F15-W380 HydrophobicContact CD2-CH2 4.41Å; F15-W380 AromaticContact CE2-CH2 3.55Å; F15-W380 HydrophobicContact CE2-CH2 3.55Å; F15-W380 HydrophobicContact CE2-CZ2 4.16Å; F15-W380 HydrophobicContact CZ-CH2 4.17Å; F15-W380 HydrophobicContact CZ-CZ2 4.41Å; L212-W380 HydrophobicContact CD1-CG 4.26Å; F376-W380 VanDerWaalsContact O-CB 3.28Å; F376-W380 WeakPolarHBondContact O-CB 3.26Å; F376-W380 PolarHBondContact O-N 3.3Å; V378-W380 PolarHBondContact O-N 3.19Å; W380-H382 VanDerWaalsContact C-N 3.3Å; W380-H382 PolarHBondContact O-N 2.94Å; W380-R383 WeakPolarHBondContact O-CB 3.18Å; W380-R383 PolarHBondContact O-N 3.09Å; W380-R383 VanDerWaalsContact O-N 3.17Å; W380-W384 HydrophobicContact CZ2-CZ3 4.27Å; W380-W384 PolarHBondContact O-N 3.02Å
381	S	68.7	Low	59.2	Low	7 Å²	7	77.1 Å²	77.1	5%	0.049	39%	0.387	C	S	.	.	H	α-helix	trans	-62.5	-35.7	175.7	70.7	0	0	0	0	113.1	A209 L377 V378 W379	A209-S381 VanDerWaalsContact CB-O 3.27Å; A209-S381 WeakPolarHBondContact CB-O 3.48Å; A209-S381 WeakPolarHBondContact O-CB 3.02Å; L377-S381 VanDerWaalsContact O-CB 3.28Å; L377-S381 WeakPolarHBondContact O-CB 3.32Å; L377-S381 PolarHBondContact O-N 3.44Å; L377-S381 PolarHBondContact O-OG 2.94Å; V378-S381 WeakPolarHBondContact CA-OG 3.27Å; V378-S381 PolarHBondContact O-N 2.91Å; V378-S381 PolarHBondContact O-OG 3.02Å; W379-S381 PolarHBondContact O-N 2.7Å
382	H	70	Confident	58.2	Low	137 Å²	137	79.5 Å²	79.5	63%	0.634	41%	0.412	S	S	*	.	H	α-helix	trans	-77.5	-23.3	177.1	-74.1	-57.9	0	0	0	112.9	V378 W379 W380	V378-H382 PolarHBondContact O-CD2 3.28Å; V378-H382 PolarHBondContact O-N 2.81Å; W379-H382 PolarHBondContact O-N 3.05Å; W380-H382 VanDerWaalsContact C-N 3.3Å; W380-H382 PolarHBondContact O-N 2.94Å
383	R	67	Low	57	Low	146 Å²	146	79.6 Å²	79.6	55%	0.551	42%	0.422	S	S	*	.	H	α-helix	trans	-72.9	-32.9	178.4	-171.4	59.7	171.6	-175.4	-2.9	112	W379 W380	W379-R383 PolarHBondContact O-N 3.43Å; W380-R383 WeakPolarHBondContact O-CB 3.18Å; W380-R383 PolarHBondContact O-N 3.09Å; W380-R383 VanDerWaalsContact O-N 3.17Å
384	W	59.8	Low	55.4	Low	23 Å²	23	92.7 Å²	92.7	9%	0.087	48%	0.479	C	S	.	.	S	Bend	trans	-69	129.3	176.9	-150.6	-88.9	0	0	0	110.1	E22 L25 Y27 A30 L208 A209 W380 A386	E22-W384 VanDerWaalsContact O-CH2 3.24Å; E22-W384 WeakPolarHBondContact O-CH2 3.32Å; L25-W384 HydrophobicContact CB-CH2 4.27Å; L25-W384 WeakPolarHBondContact O-CZ2 3.27Å; Y27-W384 AromaticContact CE1-NE1 3.56Å; A30-W384 HydrophobicContact CB-CH2 3.57Å; A30-W384 HydrophobicContact CB-CZ2 4.34Å; A30-W384 HydrophobicContact CB-CZ3 3.79Å; L208-W384 HydrophobicContact CD2-CE3 4.38Å; A209-W384 HydrophobicContact CB-CB 4.35Å; W380-W384 HydrophobicContact CZ2-CZ3 4.27Å; W380-W384 PolarHBondContact O-N 3.02Å; W384-A386 PolarHBondContact O-N 2.95Å
385	P	52.8	Low	54.8	Low	71 Å²	71	95.3 Å²	95.3	46%	0.461	50%	0.495	S	S	.	.			trans	-59.1	115.1	173.3	22.1	-29.5	0	0	0	108.1	T387	P385-T387 VanDerWaalsContact C-N 3.35Å; P385-T387 PolarHBondContact O-N 3.09Å
386	A	48.2	Very low	53.9	Low	69 Å²	69	95.5 Å²	95.5	57%	0.57	50%	0.499	S	S	*	.			trans	-57.5	108.7	163.8	0	0	0	0	0	105	W384 H388	W384-A386 PolarHBondContact O-N 2.95Å; A386-H388 PolarHBondContact O-N 3.38Å
387	T	46.6	Very low	52.9	Low	91 Å²	91	100.7 Å²	100.7	56%	0.558	53%	0.526	S	S	*	.			trans	-65.7	82.7	174	52.4	0	0	0	0	106.7	Y27 P385 N389	Y27-T387 PolarHBondContact OH-OG1 3.16Å; P385-T387 VanDerWaalsContact C-N 3.35Å; P385-T387 PolarHBondContact O-N 3.09Å; T387-N389 PolarHBondContact O-N 3.36Å
388	H	40	Very low	51.9	Low	178 Å²	178	106.5 Å²	106.5	82%	0.824	56%	0.556	S	S	*	*			trans	-74.5	60.4	168	-121.1	-64.7	0	0	0	107	A386 N390	A386-H388 PolarHBondContact O-N 3.38Å; H388-N390 PolarHBondContact O-N 3.2Å
389	N	36.5	Very low	50.7	Low	139 Å²	139	110.4 Å²	110.4	74%	0.743	57%	0.574	S	S	*	*			trans	-86.1	94.7	165.9	-122.8	0	0	0	0	106.2	T387	T387-N389 PolarHBondContact O-N 3.36Å
390	N	37.5	Very low	49	Very low	128 Å²	128	112.7 Å²	112.7	68%	0.684	59%	0.593	S	S	*	*	S	Bend	trans	168	79.5	142.6	-82	-24.2	0	0	0	108.5	H388	H388-N390 PolarHBondContact O-N 3.2Å
391	N	36	Very low	47.4	Very low	173 Å²	173	120.5 Å²	120.5	93%	0.925	64%	0.635	S	S	*	*	S	Bend	trans	-170.8	38.8	144.1	-88.6	-18.8	0	0	0	111.5
392	A	31.1	Very low	45.7	Very low	98 Å²	98	129.2 Å²	129.2	81%	0.81	68%	0.68	S	S	*	*			trans	-120.7	55.2	165.3	0	0	0	0	0	109.4
393	L	37	Very low	43.7	Very low	149 Å²	149	128.6 Å²	128.6	78%	0.78	68%	0.684	S	S	*	*			trans	-121.6	101.5	162.7	-82.4	168.2	0	0	0	107.5
394	K	31.7	Very low	41.6	Very low	278 Å²	278	127 Å²	127	100%	1.209	70%	0.696	S	S	*	*			trans	56.6	0	147.2	-73.1	177.8	175.9	176.2	0	119.8

Retrieved 394 of 394 residues in 387.4 ms (Link to these results)

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