A0A096LSA4_POEFO Loading...

Amyloid-beta A4 protein

Functional neuronal receptor which couples to intracellular signaling pathway through the GTP-binding protein G(O). Functions as a cell surface receptor and performs physiological functions on the surface of neurons relevant to neurite growth, neuronal adhesion and axonogenesis.

AlphaFold DB , UniProt , Accession A0A096LSA4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 765 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.4	Low	49.3	Very low	213 Å²	213	116.2 Å²	116.2	100%	1.049	62%	0.624	S	S	*	*				0	-32.1	0	-91.5	-174.9	176.3	0	0	112.2	D3	M1-D3 PolarHBondContact O-N 3.44Å
2	G	48.5	Very low	49.1	Very low	47 Å²	47	114.4 Å²	114.4	49%	0.485	62%	0.62	S	S	.	*	H	α-helix	trans	-60.1	-41.2	179.1	0	0	0	0	0	114.6	R4 V5 V6	G2-R4 VanDerWaalsContact C-N 3.28Å; G2-R4 PolarHBondContact O-N 3.49Å; G2-V5 WeakPolarHBondContact O-CA 3.4Å; G2-V5 WeakPolarHBondContact O-CB 3.04Å; G2-V5 PolarHBondContact O-N 3.07Å; G2-V6 PolarHBondContact O-N 3.39Å; G2-V6 VanDerWaalsContact O-N 3.09Å
3	D	46	Very low	48.8	Very low	124 Å²	124	112.7 Å²	112.7	66%	0.663	62%	0.615	S	S	*	*	H	α-helix	trans	-61.7	-34.3	-169.3	-29.6	-69.3	0	0	0	113.1	M1 V5 L7	M1-D3 PolarHBondContact O-N 3.44Å; D3-V5 VanDerWaalsContact C-N 3.34Å; D3-L7 PolarHBondContact O-N 3.45Å; D3-L7 VanDerWaalsContact O-N 3.08Å
4	R	47.9	Very low	48.2	Very low	208 Å²	208	109.9 Å²	109.9	79%	0.785	62%	0.615	S	S	*	*	H	α-helix	trans	-72.7	-24	174.4	-77	-172.9	169.2	-175.7	-4.7	113.5	G2 L8	G2-R4 VanDerWaalsContact C-N 3.28Å; G2-R4 PolarHBondContact O-N 3.49Å; R4-L8 WeakPolarHBondContact O-CB 3.35Å; R4-L8 WeakPolarHBondContact O-CD1 3.17Å; R4-L8 WeakPolarHBondContact O-CG 3.46Å; R4-L8 PolarHBondContact O-N 2.62Å
5	V	52.7	Low	47.5	Very low	86 Å²	86	109 Å²	109	52%	0.521	62%	0.619	S	S	.	*	H	α-helix	trans	-78.5	-40.4	174.2	-177.1	0	0	0	0	110.1	G2 D3 L8 L9	G2-V5 WeakPolarHBondContact O-CA 3.4Å; G2-V5 WeakPolarHBondContact O-CB 3.04Å; G2-V5 PolarHBondContact O-N 3.07Å; D3-V5 VanDerWaalsContact C-N 3.34Å; V5-L8 PolarHBondContact O-N 3.15Å; V5-L9 HydrophobicContact CG1-CD1 4.02Å; V5-L9 HydrophobicContact CG1-CG 4.49Å; V5-L9 WeakPolarHBondContact O-CB 3.46Å; V5-L9 WeakPolarHBondContact O-CG 3.47Å; V5-L9 PolarHBondContact O-N 2.76Å
6	V	53.3	Low	46.9	Very low	84 Å²	84	106.6 Å²	106.6	51%	0.509	62%	0.616	S	S	.	*	H	α-helix	trans	-62.6	-46.8	175.5	-179.9	0	0	0	0	111.1	G2 L8 L9 L10	G2-V6 PolarHBondContact O-N 3.39Å; G2-V6 VanDerWaalsContact O-N 3.09Å; V6-L8 VanDerWaalsContact C-N 3.35Å; V6-L8 PolarHBondContact O-N 2.95Å; V6-L9 PolarHBondContact O-N 2.86Å; V6-L10 HydrophobicContact CG1-CD1 4Å; V6-L10 HydrophobicContact CG1-CG 4.48Å; V6-L10 WeakPolarHBondContact O-CG 3.35Å; V6-L10 PolarHBondContact O-N 3.06Å
7	L	51.8	Low	46.3	Very low	124 Å²	124	109.6 Å²	109.6	65%	0.649	63%	0.626	S	S	*	*	H	α-helix	trans	-62.1	-37.7	175.8	-89.3	161.5	0	0	0	113.3	D3 A11	D3-L7 PolarHBondContact O-N 3.45Å; D3-L7 VanDerWaalsContact O-N 3.08Å; L7-A11 WeakPolarHBondContact O-CB 3.04Å; L7-A11 PolarHBondContact O-N 2.94Å
8	L	49.3	Very low	45.8	Very low	119 Å²	119	108.3 Å²	108.3	62%	0.623	63%	0.631	S	S	*	*	H	α-helix	trans	-69.2	-38.6	175	-83.6	167.5	0	0	0	112.6	R4 V5 V6 A11 V12	R4-L8 WeakPolarHBondContact O-CB 3.35Å; R4-L8 WeakPolarHBondContact O-CD1 3.17Å; R4-L8 WeakPolarHBondContact O-CG 3.46Å; R4-L8 PolarHBondContact O-N 2.62Å; V5-L8 PolarHBondContact O-N 3.15Å; V6-L8 VanDerWaalsContact C-N 3.35Å; V6-L8 PolarHBondContact O-N 2.95Å; L8-A11 PolarHBondContact O-N 2.95Å; L8-V12 VanDerWaalsContact O-CG2 3.32Å; L8-V12 WeakPolarHBondContact O-CG2 3.38Å; L8-V12 PolarHBondContact O-N 2.91Å
9	L	48.1	Very low	45.1	Very low	109 Å²	109	108.6 Å²	108.6	57%	0.571	63%	0.634	S	S	*	*	H	α-helix	trans	-66.7	-42.6	175.8	-74.6	168.1	0	0	0	111.8	V5 V6 A11 V12 V13	V5-L9 HydrophobicContact CG1-CD1 4.02Å; V5-L9 HydrophobicContact CG1-CG 4.49Å; V5-L9 WeakPolarHBondContact O-CB 3.46Å; V5-L9 WeakPolarHBondContact O-CG 3.47Å; V5-L9 PolarHBondContact O-N 2.76Å; V6-L9 PolarHBondContact O-N 2.86Å; L9-A11 PolarHBondContact O-N 2.91Å; L9-V12 PolarHBondContact O-N 2.04Å; L9-V13 WeakPolarHBondContact O-CG2 3.12Å; L9-V13 PolarHBondContact O-N 3.43Å
10	L	47.7	Very low	44.6	Very low	113 Å²	113	112.7 Å²	112.7	59%	0.592	65%	0.647	S	S	*	*	H	α-helix	trans	-62.9	-41	175.2	-71.7	170.7	0	0	0	112	V6 V13 A14	V6-L10 HydrophobicContact CG1-CD1 4Å; V6-L10 HydrophobicContact CG1-CG 4.48Å; V6-L10 WeakPolarHBondContact O-CG 3.35Å; V6-L10 PolarHBondContact O-N 3.06Å; L10-V13 PolarHBondContact O-N 3.32Å; L10-A14 WeakPolarHBondContact O-CB 3.16Å; L10-A14 PolarHBondContact O-N 3.38Å
11	A	46.3	Very low	43.9	Very low	51 Å²	51	113.1 Å²	113.1	42%	0.421	65%	0.651	S	S	.	*	H	α-helix	trans	-63.1	-42.6	174.9	0	0	0	0	0	112.5	L7 L8 L9 A14 S15	L7-A11 WeakPolarHBondContact O-CB 3.04Å; L7-A11 PolarHBondContact O-N 2.94Å; L8-A11 PolarHBondContact O-N 2.95Å; L9-A11 PolarHBondContact O-N 2.91Å; A11-A14 PolarHBondContact O-N 3.23Å; A11-S15 PolarHBondContact O-N 3.15Å; A11-S15 PolarHBondContact O-OG 2.03Å; A11-S15 VanDerWaalsContact O-OG 3.05Å
12	V	47.7	Very low	43	Very low	95 Å²	95	108.4 Å²	108.4	58%	0.576	64%	0.636	S	S	*	*	H	α-helix	trans	-67.2	-39.6	177.9	169.4	0	0	0	0	112	L8 L9 S15 A16	L8-V12 VanDerWaalsContact O-CG2 3.32Å; L8-V12 WeakPolarHBondContact O-CG2 3.38Å; L8-V12 PolarHBondContact O-N 2.91Å; L9-V12 PolarHBondContact O-N 2.04Å; V12-S15 PolarHBondContact O-N 3.27Å; V12-A16 WeakPolarHBondContact O-CB 3.04Å; V12-A16 PolarHBondContact O-N 2.74Å; V12-A16 VanDerWaalsContact O-N 3.13Å
13	V	44.6	Very low	42.3	Very low	92 Å²	92	110 Å²	110	56%	0.558	65%	0.645	S	S	*	*	H	α-helix	trans	-67.1	-40.7	175.5	172.6	0	0	0	0	111.2	L9 L10 S15 A16	L9-V13 WeakPolarHBondContact O-CG2 3.12Å; L9-V13 PolarHBondContact O-N 3.43Å; L10-V13 PolarHBondContact O-N 3.32Å; V13-S15 VanDerWaalsContact C-N 3.32Å; V13-S15 PolarHBondContact O-N 2.96Å; V13-A16 PolarHBondContact O-N 2.73Å; V13-A16 VanDerWaalsContact O-N 3.15Å
14	A	40	Very low	41.5	Very low	73 Å²	73	111.3 Å²	111.3	60%	0.603	65%	0.652	S	S	*	*	H	α-helix	trans	-62.2	-38	173.9	0	0	0	0	0	112.5	L10 A11 A16	L10-A14 WeakPolarHBondContact O-CB 3.16Å; L10-A14 PolarHBondContact O-N 3.38Å; A11-A14 PolarHBondContact O-N 3.23Å; A14-A16 VanDerWaalsContact C-N 3.28Å; A14-A16 PolarHBondContact O-N 2.97Å
15	S	38.1	Very low	41.1	Very low	97 Å²	97	104.7 Å²	104.7	68%	0.678	64%	0.635	S	S	*	*	H	α-helix	trans	-73.7	-13.5	175.4	-60.2	0	0	0	0	114.4	A11 V12 V13	A11-S15 PolarHBondContact O-N 3.15Å; A11-S15 PolarHBondContact O-OG 2.03Å; A11-S15 VanDerWaalsContact O-OG 3.05Å; V12-S15 PolarHBondContact O-N 3.27Å; V13-S15 VanDerWaalsContact C-N 3.32Å; V13-S15 PolarHBondContact O-N 2.96Å
16	A	38.7	Very low	40.3	Very low	70 Å²	70	105.7 Å²	105.7	58%	0.579	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-5.7	-178.5	0	0	0	0	0	114.2	V12 V13 A14	V12-A16 WeakPolarHBondContact O-CB 3.04Å; V12-A16 PolarHBondContact O-N 2.74Å; V12-A16 VanDerWaalsContact O-N 3.13Å; V13-A16 PolarHBondContact O-N 2.73Å; V13-A16 VanDerWaalsContact O-N 3.15Å; A14-A16 VanDerWaalsContact C-N 3.28Å; A14-A16 PolarHBondContact O-N 2.97Å
17	M	36.9	Very low	39.9	Very low	159 Å²	159	110.4 Å²	110.4	78%	0.783	66%	0.664	S	S	*	*	S	Bend	trans	-96	-1.9	175.7	-74.4	-70.2	166.9	0	0	113.6	V19	M17-V19 PolarHBondContact O-N 3.13Å
18	A	35.8	Very low	39.5	Very low	86 Å²	86	107.7 Å²	107.7	71%	0.711	67%	0.666	S	S	*	*			trans	-78.8	60.6	170.3	0	0	0	0	0	111.3
19	V	33.4	Very low	39.8	Very low	114 Å²	114	105.4 Å²	105.4	69%	0.691	65%	0.654	S	S	*	*			trans	-83.5	120.4	158.1	175.4	0	0	0	0	106.4	M17 V21	M17-V19 PolarHBondContact O-N 3.13Å; V19-V21 PolarHBondContact O-N 2.92Å
20	E	35.3	Very low	40.4	Very low	190 Å²	190	107 Å²	107	89%	0.888	66%	0.662	S	S	*	*			trans	-64.3	101.1	170.7	-68.6	173.8	141	0	0	108.3
21	V	28.5	Very low	41.6	Very low	121 Å²	121	103 Å²	103	73%	0.733	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-65.9	123.3	165.6	179.4	0	0	0	0	106.2	V19 A23	V19-V21 PolarHBondContact O-N 2.92Å; V21-A23 PolarHBondContact O-N 3.35Å; V21-A23 VanDerWaalsContact O-N 3.12Å
22	P	32.4	Very low	43.5	Very low	115 Å²	115	103.5 Å²	103.5	75%	0.747	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-61.6	119.6	169.7	27	-32.3	0	0	0	107.1	D24	P22-D24 PolarHBondContact O-N 3.45Å
23	A	33.5	Very low	45.5	Very low	81 Å²	81	99.2 Å²	99.2	67%	0.669	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-63	133	176.5	0	0	0	0	0	109.1	V21 V25	V21-A23 PolarHBondContact O-N 3.35Å; V21-A23 VanDerWaalsContact O-N 3.12Å; A23-V25 WeakPolarHBondContact O-CG2 3.32Å; A23-V25 PolarHBondContact O-N 2.84Å
24	D	29.6	Very low	47.9	Very low	150 Å²	150	96.3 Å²	96.3	80%	0.802	59%	0.593	S	S	*	*			trans	-64.1	106	166	-88.3	-51.3	0	0	0	108.1	P22 S26	P22-D24 PolarHBondContact O-N 3.45Å; D24-S26 PolarHBondContact O-N 2.96Å
25	V	38.5	Very low	50.4	Low	70 Å²	70	92.8 Å²	92.8	42%	0.424	56%	0.564	S	S	.	*	S	Bend	trans	-79.3	58.5	-179.3	-164.7	0	0	0	0	109.8	A23 L81	A23-V25 WeakPolarHBondContact O-CG2 3.32Å; A23-V25 PolarHBondContact O-N 2.84Å; V25-L81 HydrophobicContact CB-CD2 4.43Å; V25-L81 HydrophobicContact CG1-CD2 3.67Å
26	S	37.6	Very low	53	Low	106 Å²	106	88.2 Å²	88.2	74%	0.741	53%	0.532	S	S	*	.			trans	-133.2	20.2	-179.5	-154.4	0	0	0	0	112.5	D24	D24-S26 PolarHBondContact O-N 2.96Å
27	M	44.2	Very low	55.5	Low	184 Å²	184	86.1 Å²	86.1	91%	0.906	51%	0.511	S	S	*	.	S	Bend	trans	-132.1	124.4	168.2	-63.5	-172.9	-170.1	0	0	109.7
28	G	44.4	Very low	57.9	Low	66 Å²	66	81.7 Å²	81.7	68%	0.68	49%	0.487	S	S	*	.			trans	105.8	14.9	168.2	0	0	0	0	0	117.9
29	L	53.8	Low	60.3	Low	72 Å²	72	81.8 Å²	81.8	38%	0.377	48%	0.482	S	S	.	.			trans	-79.5	122.3	168.3	-52.1	-173.9	0	0	0	109.6	V48 L81	L29-V48 HydrophobicContact CD2-CB 4.06Å; L29-V48 HydrophobicContact CD2-CG2 3.81Å; L29-L81 HydrophobicContact CD1-CD1 4.37Å; L29-L81 HydrophobicContact CD1-CD2 4.17Å; L29-L81 HydrophobicContact CD2-CD2 4.42Å
30	L	60.5	Low	62.6	Low	143 Å²	143	79.2 Å²	79.2	75%	0.749	48%	0.478	S	S	*	.	S	Bend	trans	-89.9	-10.2	177.8	-81.6	169.9	0	0	0	113.3	V48	L30-V48 PolarHBondContact N-O 3.02Å
31	A	74.9	Confident	65	Low	27 Å²	27	70.9 Å²	70.9	22%	0.223	44%	0.439	C	S	.	.	S	Bend	trans	-153.5	153	172.8	0	0	0	0	0	110.4	I46 V48	A31-I46 HydrophobicContact CB-CG2 3.79Å; A31-V48 PolarHBondContact N-O 2.93Å
32	E	84.3	Confident	67.8	Low	63 Å²	63	65.7 Å²	65.7	29%	0.294	41%	0.407	S	S	.	.			trans	-63.4	139.3	174.6	-172.1	-172.9	-130.8	0	0	111.4	Q34 R117	E32-Q34 HydrophobicContact CB-CG 4.47Å; E32-Q34 HydrophobicContact CG-CG 4.4Å; E32-Q34 PolarHBondContact O-N 2.93Å; E32-Q34 PolarHBondContact OE2-NE2 2.87Å; E32-R117 VanDerWaalsContact CD-NE 3.31Å; E32-R117 IonicContact OE1-CZ 3.36Å; E32-R117 IonicContact OE1-NE 2.73Å; E32-R117 PolarHBondContact OE1-NE 3.34Å; E32-R117 IonicContact OE1-NH2 2.81Å; E32-R117 PolarHBondContact OE1-NH2 3.49Å; E32-R117 WeakPolarHBondContact OE2-CG 3.06Å; E32-R117 IonicContact OE2-NE 3.81Å; E32-R117 PolarHBondContact OE2-NE 3.47Å
33	P	91.3	Very high	70.6	Confident	4 Å²	4	60.2 Å²	60.2	3%	0.026	37%	0.371	C	S	.	.			trans	-66.1	114.2	171.2	27.9	-36.2	0	0	0	111.4	V48 Y78 L81 C118 V120	P33-V48 HydrophobicContact CB-CG1 3.86Å; P33-Y78 HydrophobicContact CB-CD1 4.19Å; P33-Y78 HydrophobicContact CB-CD2 3.83Å; P33-Y78 HydrophobicContact CB-CE1 3.94Å; P33-Y78 HydrophobicContact CB-CE2 3.55Å; P33-Y78 HydrophobicContact CB-CG 4.13Å; P33-L81 HydrophobicContact CB-CD1 3.96Å; P33-L81 HydrophobicContact CG-CD1 3.86Å; P33-C118 HydrophobicContact CB-CB 4.17Å; P33-C118 HydrophobicContact CG-CB 4.35Å; P33-C118 WeakPolarHBondContact CG-O 3.3Å; P33-C118 WeakPolarHBondContact O-CB 3.46Å; P33-C118 PolarHBondContact O-N 2.98Å; P33-V120 HydrophobicContact CG-CG2 3.8Å
34	Q	93.4	Very high	73.3	Confident	31 Å²	31	56.6 Å²	56.6	15%	0.145	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.5	177.6	-56.8	-177	-4.3	0	0	111.5	E32 H45 I46 W53 Y78 Y116 R117	E32-Q34 HydrophobicContact CB-CG 4.47Å; E32-Q34 HydrophobicContact CG-CG 4.4Å; E32-Q34 PolarHBondContact O-N 2.93Å; E32-Q34 PolarHBondContact OE2-NE2 2.87Å; Q34-H45 CarbonylContact O-C 3.51Å; Q34-H45 VanDerWaalsContact O-CA 3.31Å; Q34-H45 WeakPolarHBondContact O-CA 3.28Å; Q34-I46 HydrophobicContact CB-CD1 3.79Å; Q34-I46 HydrophobicContact CB-CG1 4.1Å; Q34-I46 HydrophobicContact CG-CD1 3.98Å; Q34-I46 PolarHBondContact O-N 3.07Å; Q34-W53 HydrophobicContact CB-CH2 3.98Å; Q34-Y78 PolarHBondContact N-OH 2.76Å; Q34-Y78 PolarHBondContact O-OH 3.43Å; Q34-Y116 CarbonylContact C-O 3.58Å; Q34-Y116 VanDerWaalsContact CA-O 3.26Å; Q34-Y116 WeakPolarHBondContact CA-O 3.38Å; Q34-R117 HydrophobicContact CG-CG 4.32Å
35	V	93.8	Very high	76.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.1	175.8	-64.6	0	0	0	0	111.6	M37 M44 H45 I70 Y73 Y78 Y116	V35-M37 HydrophobicContact CG2-CE 4.28Å; V35-M44 WeakPolarHBondContact CA-O 3.45Å; V35-H45 HydrophobicContact CG1-CB 4.09Å; V35-I70 HydrophobicContact CG2-CG2 4.2Å; V35-Y73 HydrophobicContact CB-CD1 4.14Å; V35-Y73 HydrophobicContact CB-CE1 3.94Å; V35-Y73 HydrophobicContact CG1-CD1 4Å; V35-Y73 HydrophobicContact CG1-CE1 3.76Å; V35-Y73 HydrophobicContact CG2-CD1 4.26Å; V35-Y78 HydrophobicContact CG1-CE2 4.06Å; V35-Y116 PolarHBondContact N-O 3.06Å; V35-Y116 PolarHBondContact O-N 3.48Å
36	A	92.6	Very high	78.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.6	-179.3	0	0	0	0	0	111	M44 W53 I95 W98 V113 P115	A36-M44 HydrophobicContact CB-CB 4.4Å; A36-M44 PolarHBondContact N-O 3.13Å; A36-M44 PolarHBondContact O-N 3.07Å; A36-W53 HydrophobicContact CB-CE3 4.27Å; A36-W53 HydrophobicContact CB-CH2 3.75Å; A36-W53 HydrophobicContact CB-CZ3 3.53Å; A36-I95 HydrophobicContact CB-CD1 3.36Å; A36-W98 HydrophobicContact CB-CH2 4.06Å; A36-V113 HydrophobicContact CB-CG2 4.04Å; A36-P115 HydrophobicContact CB-CB 4.3Å
37	M	90.7	Very high	81.3	Confident	27 Å²	27	44.4 Å²	44.4	13%	0.133	26%	0.264	C	S	.	.			trans	-126.1	134.7	-172.2	-59.2	-161.3	-172	0	0	111.7	V35 N43 C63 I64 I70 Y73	V35-M37 HydrophobicContact CG2-CE 4.28Å; M37-N43 HydrophobicContact CG-CB 4.49Å; M37-C63 HydrophobicContact CB-CB 4.22Å; M37-I64 HydrophobicContact CE-CB 4.3Å; M37-I64 HydrophobicContact CE-CD1 3.96Å; M37-I64 HydrophobicContact CE-CG1 4.07Å; M37-I64 HydrophobicContact SD-CB 3.88Å; M37-I64 HydrophobicContact SD-CD1 4.4Å; M37-I64 HydrophobicContact SD-CG1 3.84Å; M37-I64 PolarHBondContact SD-N 2.94Å; M37-I64 VanDerWaalsContact SD-N 3.38Å; M37-I70 HydrophobicContact CE-CB 4.33Å; M37-I70 HydrophobicContact CE-CG1 3.86Å; M37-I70 HydrophobicContact CE-CG2 4.05Å; M37-I70 HydrophobicContact SD-CG1 4.32Å; M37-Y73 HydrophobicContact CE-CD1 3.59Å; M37-Y73 HydrophobicContact CE-CE1 4.18Å; M37-Y73 HydrophobicContact CE-CG 4.29Å
38	F	88	Confident	83.3	Confident	66 Å²	66	36.5 Å²	36.5	29%	0.289	23%	0.226	S	C	.	.			trans	-139	119.1	173.5	-167.6	-82.8	0	0	0	110.1	G40 K41 W98 H111 V113	F38-G40 PolarHBondContact O-N 2.83Å; F38-K41 HydrophobicContact CD1-CB 4.44Å; F38-K41 HydrophobicContact CD1-CD 4.03Å; F38-K41 HydrophobicContact CD1-CG 3.91Å; F38-K41 PolarHBondContact O-N 2.84Å; F38-W98 HydrophobicContact CB-CD2 4.35Å; F38-W98 HydrophobicContact CB-CE3 3.89Å; F38-W98 HydrophobicContact CB-CH2 3.66Å; F38-W98 HydrophobicContact CB-CZ2 4.12Å; F38-W98 HydrophobicContact CB-CZ3 3.53Å; F38-H111 HydrophobicContact CD2-CB 4.21Å; F38-H111 HydrophobicContact CE2-CB 4.2Å; F38-H111 AromaticContact CE2-CG 3.9Å; F38-H111 AromaticContact CE2-ND1 3.35Å; F38-H111 VanDerWaalsContact CE2-ND1 3.35Å; F38-H111 WeakPolarHBondContact CE2-ND1 3.33Å; F38-H111 AromaticContact CZ-CE1 3.63Å; F38-H111 AromaticContact CZ-ND1 3.4Å; F38-H111 WeakPolarHBondContact CZ-ND1 3.21Å; F38-V113 HydrophobicContact CD2-CG1 3.89Å
39	C	86.4	Confident	85.2	Confident	88 Å²	88	39.7 Å²	39.7	60%	0.595	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	132.9	-172	-67	0	0	0	0	113	K41 C63	C39-K41 VanDerWaalsContact C-N 3.28Å; C39-K41 PolarHBondContact O-N 3.48Å; C39-C63 WeakPolarHBondContact CA-SG 3.46Å; C39-C63 HydrophobicContact CB-CB 4.01Å; C39-C63 WeakPolarHBondContact CB-SG 3.05Å; C39-C63 WeakPolarHBondContact SG-CB 3.25Å; C39-C63 CovalentContact SG-SG 2.04Å; C39-C63 PolarHBondContact SG-SG 3.42Å
40	G	80.6	Confident	86.7	Confident	60 Å²	60	39.5 Å²	39.5	62%	0.619	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.7	-4.8	-176.6	0	0	0	0	0	115	F38 S62	F38-G40 PolarHBondContact O-N 2.83Å; G40-S62 PolarHBondContact N-OG 2.83Å
41	K	86.1	Confident	87.8	Confident	15 Å²	15	34.6 Å²	34.6	7%	0.065	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-109.4	171.6	168.2	-60.4	-162.3	-162.5	-178.5	0	110.7	F38 C39 S62 W98 C99 S108 H111	F38-K41 HydrophobicContact CD1-CB 4.44Å; F38-K41 HydrophobicContact CD1-CD 4.03Å; F38-K41 HydrophobicContact CD1-CG 3.91Å; F38-K41 PolarHBondContact O-N 2.84Å; C39-K41 VanDerWaalsContact C-N 3.28Å; C39-K41 PolarHBondContact O-N 3.48Å; K41-S62 VanDerWaalsContact O-CB 3.28Å; K41-S62 WeakPolarHBondContact O-CB 3.38Å; K41-S62 PolarHBondContact O-OG 3.25Å; K41-W98 HydrophobicContact CB-CB 4.48Å; K41-W98 HydrophobicContact CB-CE3 4.16Å; K41-W98 HydrophobicContact CD-CB 3.25Å; K41-W98 HydrophobicContact CD-CD2 4.14Å; K41-W98 HydrophobicContact CD-CE3 4.29Å; K41-W98 HydrophobicContact CD-CG 3.76Å; K41-W98 HydrophobicContact CG-CB 4.47Å; K41-C99 WeakPolarHBondContact CA-O 3.42Å; K41-C99 WeakPolarHBondContact CB-O 3.48Å; K41-S108 PolarHBondContact NZ-OG 3.03Å; K41-H111 PolarHBondContact NZ-CD2 3.09Å; K41-H111 PolarHBondContact NZ-NE2 2.98Å
42	L	88.1	Confident	88.4	Confident	11 Å²	11	39.9 Å²	39.9	6%	0.058	23%	0.227	C	C	.	.			trans	-69.3	152.3	165.6	-64.6	-174.2	0	0	0	109.8	D56 K61 W98 C99 K101	L42-D56 HydrophobicContact CB-CB 4.32Å; L42-K61 WeakPolarHBondContact CA-O 3.34Å; L42-K61 VanDerWaalsContact CD2-O 3.25Å; L42-K61 WeakPolarHBondContact CD2-O 3.45Å; L42-W98 VanDerWaalsContact O-CE3 3.31Å; L42-W98 WeakPolarHBondContact O-CZ3 3.46Å; L42-C99 HydrophobicContact CB-CB 4.27Å; L42-C99 HydrophobicContact CD1-CB 3.85Å; L42-C99 HydrophobicContact CG-CB 4.16Å; L42-C99 PolarHBondContact N-O 3.12Å; L42-K101 HydrophobicContact CD2-CB 4.12Å; L42-K101 HydrophobicContact CD2-CG 4.24Å
43	N	91.4	Very high	88.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.225	C	C	.	.			trans	-67.6	159.2	169	-67.1	-9.7	0	0	0	109.8	M37 D56 S62 C63 Y73	M37-N43 HydrophobicContact CG-CB 4.49Å; N43-D56 PolarHBondContact O-N 2.83Å; N43-S62 PolarHBondContact ND2-O 3.32Å; N43-S62 VanDerWaalsContact ND2-O 3.15Å; N43-S62 WeakPolarHBondContact OD1-CA 3.17Å; N43-S62 PolarHBondContact OD1-O 3Å; N43-C63 PolarHBondContact OD1-N 3.16Å; N43-Y73 HydrophobicContact CB-CE1 3.86Å; N43-Y73 VanDerWaalsContact CB-OH 3.32Å; N43-Y73 WeakPolarHBondContact CB-OH 3.47Å
44	M	90.2	Very high	88.6	Confident	6 Å²	6	43.8 Å²	43.8	3%	0.03	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	156.3	175	-58	-70.4	-61.6	0	0	109	V35 A36 W53 E54 P55 I95 W98	V35-M44 WeakPolarHBondContact CA-O 3.45Å; A36-M44 HydrophobicContact CB-CB 4.4Å; A36-M44 PolarHBondContact N-O 3.13Å; A36-M44 PolarHBondContact O-N 3.07Å; M44-W53 HydrophobicContact CB-CE3 3.85Å; M44-W53 HydrophobicContact CB-CZ3 4.38Å; M44-W53 HydrophobicContact CE-CB 4.03Å; M44-W53 WeakPolarHBondContact CE-O 3.49Å; M44-E54 CarbonylContact C-O 3.51Å; M44-E54 VanDerWaalsContact CA-O 3.3Å; M44-E54 WeakPolarHBondContact CA-O 3.36Å; M44-P55 HydrophobicContact SD-CB 3.94Å; M44-I95 HydrophobicContact CE-CG2 4.3Å; M44-I95 HydrophobicContact CG-CG2 4.24Å; M44-W98 HydrophobicContact CB-CH2 4.49Å; M44-W98 HydrophobicContact CB-CZ3 4.3Å; M44-W98 HydrophobicContact CG-CD2 3.89Å; M44-W98 HydrophobicContact CG-CE3 3.47Å; M44-W98 VanDerWaalsContact CG-CE3 3.47Å; M44-W98 HydrophobicContact CG-CH2 3.98Å; M44-W98 HydrophobicContact CG-CZ2 4.37Å; M44-W98 HydrophobicContact CG-CZ3 3.51Å; M44-W98 HydrophobicContact SD-CE3 4.34Å
45	H	92.3	Very high	88.4	Confident	16 Å²	16	44.9 Å²	44.9	7%	0.074	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	154.5	177	69.2	-58.7	0	0	0	110.8	Q34 V35 W53 E54 P55 V77	Q34-H45 CarbonylContact O-C 3.51Å; Q34-H45 VanDerWaalsContact O-CA 3.31Å; Q34-H45 WeakPolarHBondContact O-CA 3.28Å; V35-H45 HydrophobicContact CG1-CB 4.09Å; H45-W53 CarbonylContact O-C 3.48Å; H45-W53 WeakPolarHBondContact O-CA 3.4Å; H45-E54 PolarHBondContact N-O 2.04Å; H45-E54 PolarHBondContact ND1-O 3.18Å; H45-E54 PolarHBondContact O-N 2.82Å; H45-P55 PolarHBondContact CE1-O 3.43Å; H45-V77 HydrophobicContact CB-CG1 3.7Å; H45-V77 WeakPolarHBondContact CD2-CG1 3.33Å
46	I	91.6	Very high	88.1	Confident	14 Å²	14	45.2 Å²	45.2	7%	0.072	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	123.9	171.9	-65.4	-174.4	0	0	0	109.4	A31 Q34 V48 W53 Y78	A31-I46 HydrophobicContact CB-CG2 3.79Å; Q34-I46 HydrophobicContact CB-CD1 3.79Å; Q34-I46 HydrophobicContact CB-CG1 4.1Å; Q34-I46 HydrophobicContact CG-CD1 3.98Å; Q34-I46 PolarHBondContact O-N 3.07Å; I46-V48 PolarHBondContact O-N 3.36Å; I46-W53 HydrophobicContact CD1-CH2 4.06Å; I46-W53 HydrophobicContact CD1-CZ2 3.69Å; I46-W53 HydrophobicContact CG1-CD2 3.89Å; I46-W53 HydrophobicContact CG1-CE3 3.94Å; I46-W53 HydrophobicContact CG1-CH2 3.68Å; I46-W53 HydrophobicContact CG1-CZ2 3.61Å; I46-W53 HydrophobicContact CG1-CZ3 3.84Å; I46-Y78 PolarHBondContact N-OH 3.14Å; I46-Y78 VanDerWaalsContact N-OH 3.16Å; I46-Y78 VanDerWaalsContact O-CE1 3.3Å; I46-Y78 WeakPolarHBondContact O-CE1 3.32Å; I46-Y78 PolarHBondContact O-OH 3.22Å
47	N	88.6	Confident	87.6	Confident	39 Å²	39	49.7 Å²	49.7	21%	0.209	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	103.3	165.9	179.5	-54.8	0	0	0	108.6	Q49 T50 G51 K52 E54	N47-Q49 PolarHBondContact O-N 3.43Å; N47-Q49 VanDerWaalsContact O-N 3.07Å; N47-Q49 PolarHBondContact OD1-N 3.39Å; N47-T50 WeakPolarHBondContact CB-OG1 3.3Å; N47-T50 PolarHBondContact O-N 3.06Å; N47-T50 PolarHBondContact O-OG1 3.14Å; N47-T50 PolarHBondContact OD1-N 2.59Å; N47-T50 PolarHBondContact OD1-OG1 2.71Å; N47-G51 PolarHBondContact O-N 2.82Å; N47-K52 PolarHBondContact N-O 2.81Å; N47-E54 HydrophobicContact CB-CG 4.12Å; N47-E54 WeakPolarHBondContact CB-OE2 3.28Å; N47-E54 PolarHBondContact ND2-OE2 2.91Å
48	V	86.4	Confident	87.1	Confident	19 Å²	19	50 Å²	50	12%	0.115	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-16.1	-171.8	-64.2	0	0	0	0	114.8	L29 L30 A31 P33 I46 Y78	L29-V48 HydrophobicContact CD2-CB 4.06Å; L29-V48 HydrophobicContact CD2-CG2 3.81Å; L30-V48 PolarHBondContact N-O 3.02Å; A31-V48 PolarHBondContact N-O 2.93Å; P33-V48 HydrophobicContact CB-CG1 3.86Å; I46-V48 PolarHBondContact O-N 3.36Å; V48-Y78 HydrophobicContact CG1-CD1 4.46Å; V48-Y78 HydrophobicContact CG1-CE1 3.92Å
49	Q	84.5	Confident	86.8	Confident	133 Å²	133	48.3 Å²	48.3	62%	0.621	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-9.8	176	-61.4	174.4	4.8	0	0	112.9	N47	N47-Q49 PolarHBondContact O-N 3.43Å; N47-Q49 VanDerWaalsContact O-N 3.07Å; N47-Q49 PolarHBondContact OD1-N 3.39Å
50	T	84.4	Confident	86.5	Confident	68 Å²	68	52.2 Å²	52.2	42%	0.417	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.4	-7.6	-173.6	63.2	0	0	0	0	115.1	N47 K52	N47-T50 WeakPolarHBondContact CB-OG1 3.3Å; N47-T50 PolarHBondContact O-N 3.06Å; N47-T50 PolarHBondContact O-OG1 3.14Å; N47-T50 PolarHBondContact OD1-N 2.59Å; N47-T50 PolarHBondContact OD1-OG1 2.71Å; T50-K52 PolarHBondContact O-N 2.6Å
51	G	84.3	Confident	86.7	Confident	39 Å²	39	52.5 Å²	52.5	40%	0.402	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	11.5	-177.7	0	0	0	0	0	115	N47	N47-G51 PolarHBondContact O-N 2.82Å
52	K	88.3	Confident	86.7	Confident	139 Å²	139	53 Å²	53	60%	0.604	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	144.4	-171.6	-73	169	-173.7	171.1	0	112.5	N47 T50 E54	N47-K52 PolarHBondContact N-O 2.81Å; T50-K52 PolarHBondContact O-N 2.6Å; K52-E54 PolarHBondContact O-N 2.86Å
53	W	90	Very high	86.6	Confident	68 Å²	68	54.8 Å²	54.8	26%	0.258	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	113.2	175.3	-73.9	101	0	0	0	111.4	Q34 A36 M44 H45 I46 V93 I95 P115	Q34-W53 HydrophobicContact CB-CH2 3.98Å; A36-W53 HydrophobicContact CB-CE3 4.27Å; A36-W53 HydrophobicContact CB-CH2 3.75Å; A36-W53 HydrophobicContact CB-CZ3 3.53Å; M44-W53 HydrophobicContact CB-CE3 3.85Å; M44-W53 HydrophobicContact CB-CZ3 4.38Å; M44-W53 HydrophobicContact CE-CB 4.03Å; M44-W53 WeakPolarHBondContact CE-O 3.49Å; H45-W53 CarbonylContact O-C 3.48Å; H45-W53 WeakPolarHBondContact O-CA 3.4Å; I46-W53 HydrophobicContact CD1-CH2 4.06Å; I46-W53 HydrophobicContact CD1-CZ2 3.69Å; I46-W53 HydrophobicContact CG1-CD2 3.89Å; I46-W53 HydrophobicContact CG1-CE3 3.94Å; I46-W53 HydrophobicContact CG1-CH2 3.68Å; I46-W53 HydrophobicContact CG1-CZ2 3.61Å; I46-W53 HydrophobicContact CG1-CZ3 3.84Å; W53-V93 HydrophobicContact CZ2-CG2 3.99Å; W53-I95 HydrophobicContact CB-CG2 4.33Å; W53-I95 HydrophobicContact CD2-CD1 3.57Å; W53-I95 HydrophobicContact CD2-CG1 4.02Å; W53-I95 HydrophobicContact CE3-CD1 3.74Å; W53-I95 HydrophobicContact CG-CD1 4.16Å; W53-I95 HydrophobicContact CG-CG1 4.12Å; W53-I95 HydrophobicContact CG-CG2 4.38Å; W53-I95 HydrophobicContact CH2-CD1 4.03Å; W53-I95 HydrophobicContact CZ2-CD1 3.86Å; W53-I95 HydrophobicContact CZ3-CD1 3.97Å; W53-P115 HydrophobicContact CH2-CB 3.91Å; W53-P115 HydrophobicContact CZ2-CB 4.4Å
54	E	89.6	Confident	86.6	Confident	80 Å²	80	57 Å²	57	37%	0.374	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148.5	178.3	-61.1	-164.3	131.3	0	0	111	M44 H45 N47 K52	M44-E54 CarbonylContact C-O 3.51Å; M44-E54 VanDerWaalsContact CA-O 3.3Å; M44-E54 WeakPolarHBondContact CA-O 3.36Å; H45-E54 PolarHBondContact N-O 2.04Å; H45-E54 PolarHBondContact ND1-O 3.18Å; H45-E54 PolarHBondContact O-N 2.82Å; N47-E54 HydrophobicContact CB-CG 4.12Å; N47-E54 WeakPolarHBondContact CB-OE2 3.28Å; N47-E54 PolarHBondContact ND2-OE2 2.91Å; K52-E54 PolarHBondContact O-N 2.86Å
55	P	88.8	Confident	86.1	Confident	54 Å²	54	61 Å²	61	35%	0.351	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	157.7	179.9	31.4	-36	0	0	0	112.6	M44 H45 P57	M44-P55 HydrophobicContact SD-CB 3.94Å; H45-P55 PolarHBondContact CE1-O 3.43Å; P55-P57 WeakPolarHBondContact O-CD 3.45Å; P55-P57 VanDerWaalsContact O-N 3.16Å
56	D	86.5	Confident	85.8	Confident	7 Å²	7	63 Å²	63	4%	0.037	36%	0.363	C	S	.	.			trans	-36.7	113.3	172.9	168.1	41.6	0	0	0	113	L42 N43 S58 G59 R60 K61	L42-D56 HydrophobicContact CB-CB 4.32Å; N43-D56 PolarHBondContact O-N 2.83Å; D56-S58 PolarHBondContact O-N 2.86Å; D56-S58 VanDerWaalsContact O-N 3.14Å; D56-S58 WeakPolarHBondContact OD1-CB 3.18Å; D56-S58 PolarHBondContact OD1-N 3.16Å; D56-G59 PolarHBondContact O-N 3.34Å; D56-G59 PolarHBondContact OD2-N 2.8Å; D56-R60 PolarHBondContact OD2-N 2.96Å; D56-K61 HydrophobicContact CB-CB 4.47Å; D56-K61 WeakPolarHBondContact OD2-CB 3.41Å; D56-K61 PolarHBondContact OD2-N 3.23Å
57	P	82.8	Confident	85.4	Confident	95 Å²	95	65.1 Å²	65.1	62%	0.617	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.1	178	-25.5	34.9	0	0	0	113	P55 G59	P55-P57 WeakPolarHBondContact O-CD 3.45Å; P55-P57 VanDerWaalsContact O-N 3.16Å; P57-G59 PolarHBondContact O-N 2.95Å
58	S	81.4	Confident	85.3	Confident	33 Å²	33	68.6 Å²	68.6	23%	0.231	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.2	178.1	-120.4	0	0	0	0	113.2	D56 R60 E76	D56-S58 PolarHBondContact O-N 2.86Å; D56-S58 VanDerWaalsContact O-N 3.14Å; D56-S58 WeakPolarHBondContact OD1-CB 3.18Å; D56-S58 PolarHBondContact OD1-N 3.16Å; S58-R60 WeakPolarHBondContact O-CB 3.34Å; S58-R60 WeakPolarHBondContact O-CG 3.21Å; S58-R60 PolarHBondContact O-N 3.42Å; S58-R60 VanDerWaalsContact O-N 3.13Å; S58-R60 PolarHBondContact O-NE 2.99Å; S58-R60 PolarHBondContact O-NH2 3.47Å; S58-E76 PolarHBondContact OG-OE1 2.87Å
59	G	80.9	Confident	85.4	Confident	31 Å²	31	68.1 Å²	68.1	32%	0.32	39%	0.386	S	S	.	.	S	Bend	trans	61.7	12.6	178.1	0	0	0	0	0	115.9	D56 P57	D56-G59 PolarHBondContact O-N 3.34Å; D56-G59 PolarHBondContact OD2-N 2.8Å; P57-G59 PolarHBondContact O-N 2.95Å
60	R	79.9	Confident	85.7	Confident	170 Å²	170	61.9 Å²	61.9	64%	0.642	36%	0.357	S	S	*	.			trans	-146.6	-23	-161.1	-74.6	173.3	-71.1	166.5	2.4	114.9	D56 S58 K101	D56-R60 PolarHBondContact OD2-N 2.96Å; S58-R60 WeakPolarHBondContact O-CB 3.34Å; S58-R60 WeakPolarHBondContact O-CG 3.21Å; S58-R60 PolarHBondContact O-N 3.42Å; S58-R60 VanDerWaalsContact O-N 3.13Å; S58-R60 PolarHBondContact O-NE 2.99Å; S58-R60 PolarHBondContact O-NH2 3.47Å; R60-K101 WeakPolarHBondContact O-CE 2.95Å; R60-K101 PolarHBondContact O-NZ 3.37Å
61	K	85	Confident	85.9	Confident	65 Å²	65	59.8 Å²	59.8	28%	0.283	34%	0.343	S	S	.	.			trans	-68.4	153.3	175.5	-57.2	-66.5	-172.2	104.8	0	109.8	L42 D56 Y73 E76	L42-K61 WeakPolarHBondContact CA-O 3.34Å; L42-K61 VanDerWaalsContact CD2-O 3.25Å; L42-K61 WeakPolarHBondContact CD2-O 3.45Å; D56-K61 HydrophobicContact CB-CB 4.47Å; D56-K61 WeakPolarHBondContact OD2-CB 3.41Å; D56-K61 PolarHBondContact OD2-N 3.23Å; K61-Y73 HydrophobicContact CB-CD2 4.3Å; K61-Y73 HydrophobicContact CB-CE2 3.82Å; K61-Y73 HydrophobicContact CG-CD2 4.02Å; K61-Y73 HydrophobicContact CG-CE2 3.75Å; K61-E76 WeakPolarHBondContact CE-OE1 3.4Å; K61-E76 WeakPolarHBondContact CE-OE2 3.34Å; K61-E76 VanDerWaalsContact NZ-CD 3.27Å; K61-E76 IonicContact NZ-OE1 2.59Å; K61-E76 PolarHBondContact NZ-OE1 2.85Å; K61-E76 IonicContact NZ-OE2 2.66Å; K61-E76 PolarHBondContact NZ-OE2 2.84Å
62	S	86.4	Confident	86.2	Confident	25 Å²	25	64.3 Å²	64.3	18%	0.175	35%	0.354	C	S	.	.			trans	-151.6	-175.9	178.8	-165.3	0	0	0	0	106.8	G40 K41 N43 I64	G40-S62 PolarHBondContact N-OG 2.83Å; K41-S62 VanDerWaalsContact O-CB 3.28Å; K41-S62 WeakPolarHBondContact O-CB 3.38Å; K41-S62 PolarHBondContact O-OG 3.25Å; N43-S62 PolarHBondContact ND2-O 3.32Å; N43-S62 VanDerWaalsContact ND2-O 3.15Å; N43-S62 WeakPolarHBondContact OD1-CA 3.17Å; N43-S62 PolarHBondContact OD1-O 3Å; S62-I64 WeakPolarHBondContact O-CG1 3.47Å; S62-I64 PolarHBondContact O-N 2.85Å
63	C	86.4	Confident	86.4	Confident	50 Å²	50	57.7 Å²	57.7	34%	0.338	33%	0.325	S	S	.	.			trans	-50.3	131.8	-171.6	71.2	0	0	0	0	113.1	M37 C39 N43	M37-C63 HydrophobicContact CB-CB 4.22Å; C39-C63 WeakPolarHBondContact CA-SG 3.46Å; C39-C63 HydrophobicContact CB-CB 4.01Å; C39-C63 WeakPolarHBondContact CB-SG 3.05Å; C39-C63 WeakPolarHBondContact SG-CB 3.25Å; C39-C63 CovalentContact SG-SG 2.04Å; C39-C63 PolarHBondContact SG-SG 3.42Å; N43-C63 PolarHBondContact OD1-N 3.16Å
64	I	89.8	Confident	86.5	Confident	46 Å²	46	54.5 Å²	54.5	24%	0.236	31%	0.313	C	S	.	.			trans	-106.4	131.9	-176.3	-52.2	-177.7	0	0	0	107.7	M37 S62 G69 I70 Y73	M37-I64 HydrophobicContact CE-CB 4.3Å; M37-I64 HydrophobicContact CE-CD1 3.96Å; M37-I64 HydrophobicContact CE-CG1 4.07Å; M37-I64 HydrophobicContact SD-CB 3.88Å; M37-I64 HydrophobicContact SD-CD1 4.4Å; M37-I64 HydrophobicContact SD-CG1 3.84Å; M37-I64 PolarHBondContact SD-N 2.94Å; M37-I64 VanDerWaalsContact SD-N 3.38Å; S62-I64 WeakPolarHBondContact O-CG1 3.47Å; S62-I64 PolarHBondContact O-N 2.85Å; I64-G69 VanDerWaalsContact CD1-O 3.28Å; I64-G69 WeakPolarHBondContact CD1-O 3.45Å; I64-I70 HydrophobicContact CB-CG1 4.12Å; I64-I70 HydrophobicContact CG2-CG1 4.38Å; I64-Y73 HydrophobicContact CD1-CD2 4.38Å; I64-Y73 HydrophobicContact CD1-CG 3.94Å
65	G	79.4	Confident	86.6	Confident	91 Å²	91	54.9 Å²	54.9	94%	0.938	32%	0.315	S	S	*	.	S	Bend	trans	-95.2	1.9	-171.4	0	0	0	0	0	115.6
66	S	86.4	Confident	86.7	Confident	56 Å²	56	56.7 Å²	56.7	39%	0.392	32%	0.319	S	S	.	.	S	Bend	trans	-131.2	137.5	-178.3	53.2	0	0	0	0	109.7	E68 G69 I70	S66-E68 VanDerWaalsContact C-N 3.28Å; S66-E68 WeakPolarHBondContact CB-OE2 3.44Å; S66-E68 PolarHBondContact O-N 3.37Å; S66-G69 PolarHBondContact O-N 3.26Å; S66-I70 WeakPolarHBondContact O-CG1 3.48Å; S66-I70 PolarHBondContact O-N 2.96Å; S66-I70 VanDerWaalsContact O-N 3.13Å
67	K	82.9	Confident	86.9	Confident	60 Å²	60	57.2 Å²	57.2	26%	0.261	32%	0.322	S	S	.	.	H	α-helix	trans	-69.3	-31.1	-174.4	-64	-168.3	169.7	-169.6	0	111.7	G69 I70 L71 E88 I177 D178	K67-G69 VanDerWaalsContact C-N 3.31Å; K67-G69 PolarHBondContact O-N 3.22Å; K67-I70 WeakPolarHBondContact O-CB 3.41Å; K67-I70 PolarHBondContact O-N 3.14Å; K67-I70 VanDerWaalsContact O-N 3.12Å; K67-L71 PolarHBondContact O-N 3.48Å; K67-E88 WeakPolarHBondContact CE-OE1 3.39Å; K67-E88 IonicContact NZ-OE1 2.72Å; K67-E88 PolarHBondContact NZ-OE1 2.64Å; K67-I177 HydrophobicContact CB-CG2 3.78Å; K67-D178 HydrophobicContact CD-CB 3.72Å; K67-D178 IonicContact NZ-OD2 3.07Å; K67-D178 PolarHBondContact NZ-OD2 3.03Å
68	E	87.2	Confident	87.4	Confident	111 Å²	111	53.4 Å²	53.4	52%	0.519	30%	0.296	S	S	.	.	H	α-helix	trans	-57	-43.7	169.1	-55.6	71.8	-160.9	0	0	111.1	S66 I70 L71 E72 I177	S66-E68 VanDerWaalsContact C-N 3.28Å; S66-E68 WeakPolarHBondContact CB-OE2 3.44Å; S66-E68 PolarHBondContact O-N 3.37Å; E68-I70 VanDerWaalsContact C-N 3.32Å; E68-I70 PolarHBondContact O-N 3.39Å; E68-L71 PolarHBondContact O-N 2.93Å; E68-E72 WeakPolarHBondContact O-CG 3.11Å; E68-E72 PolarHBondContact O-N 3.46Å; E68-I177 HydrophobicContact CG-CD1 4.03Å
69	G	88.6	Confident	87.7	Confident	9 Å²	9	56.9 Å²	56.9	9%	0.093	32%	0.317	C	S	.	.	H	α-helix	trans	-74.9	-20.1	177.5	0	0	0	0	0	113.7	I64 S66 K67 Y73	I64-G69 VanDerWaalsContact CD1-O 3.28Å; I64-G69 WeakPolarHBondContact CD1-O 3.45Å; S66-G69 PolarHBondContact O-N 3.26Å; K67-G69 VanDerWaalsContact C-N 3.31Å; K67-G69 PolarHBondContact O-N 3.22Å; G69-Y73 WeakPolarHBondContact O-CB 3.31Å; G69-Y73 PolarHBondContact O-N 3.08Å; G69-Y73 VanDerWaalsContact O-N 3.14Å
70	I	90	Very high	87.9	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.015	34%	0.335	C	S	.	.	H	α-helix	trans	-75.8	-40.5	170.8	-61.9	172	0	0	0	109.5	V35 M37 I64 S66 K67 E68 Y73 C74 V86 Y116	V35-I70 HydrophobicContact CG2-CG2 4.2Å; M37-I70 HydrophobicContact CE-CB 4.33Å; M37-I70 HydrophobicContact CE-CG1 3.86Å; M37-I70 HydrophobicContact CE-CG2 4.05Å; M37-I70 HydrophobicContact SD-CG1 4.32Å; I64-I70 HydrophobicContact CB-CG1 4.12Å; I64-I70 HydrophobicContact CG2-CG1 4.38Å; S66-I70 WeakPolarHBondContact O-CG1 3.48Å; S66-I70 PolarHBondContact O-N 2.96Å; S66-I70 VanDerWaalsContact O-N 3.13Å; K67-I70 WeakPolarHBondContact O-CB 3.41Å; K67-I70 PolarHBondContact O-N 3.14Å; K67-I70 VanDerWaalsContact O-N 3.12Å; E68-I70 VanDerWaalsContact C-N 3.32Å; E68-I70 PolarHBondContact O-N 3.39Å; I70-Y73 PolarHBondContact O-N 3.07Å; I70-Y73 VanDerWaalsContact O-N 3.16Å; I70-C74 PolarHBondContact O-N 3.46Å; I70-V86 HydrophobicContact CB-CG2 4.39Å; I70-V86 HydrophobicContact CG2-CB 4.36Å; I70-V86 HydrophobicContact CG2-CG1 4.31Å; I70-V86 HydrophobicContact CG2-CG2 4.24Å; I70-Y116 HydrophobicContact CD1-CD1 4.11Å; I70-Y116 HydrophobicContact CD1-CD2 4.21Å; I70-Y116 HydrophobicContact CD1-CE1 3.68Å; I70-Y116 HydrophobicContact CD1-CE2 3.83Å; I70-Y116 HydrophobicContact CD1-CG 4.35Å; I70-Y116 HydrophobicContact CG2-CD1 4.07Å; I70-Y116 HydrophobicContact CG2-CD2 4.35Å; I70-Y116 HydrophobicContact CG2-CG 3.88Å
71	L	89.7	Confident	88.2	Confident	24 Å²	24	55.2 Å²	55.2	13%	0.126	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-48.2	171.7	178.8	60	0	0	0	111.8	K67 E68 Y73 C74 Q75 I83 V86 I177	K67-L71 PolarHBondContact O-N 3.48Å; E68-L71 PolarHBondContact O-N 2.93Å; L71-Y73 PolarHBondContact O-N 3.22Å; L71-C74 PolarHBondContact O-N 3.19Å; L71-Q75 WeakPolarHBondContact O-CG 3.26Å; L71-Q75 PolarHBondContact O-N 3.01Å; L71-I83 HydrophobicContact CD1-CG2 3.79Å; L71-V86 HydrophobicContact CB-CG1 4.13Å; L71-V86 HydrophobicContact CB-CG2 4.15Å; L71-V86 HydrophobicContact CD1-CG1 4.06Å; L71-I177 HydrophobicContact CD2-CD1 4.16Å
72	E	90.6	Very high	88.3	Confident	134 Å²	134	59.4 Å²	59.4	63%	0.626	33%	0.329	S	S	*	.	H	α-helix	trans	-55.6	-36.6	171.7	-73.8	178.7	-178.8	0	0	112.2	E68 Q75 E76	E68-E72 WeakPolarHBondContact O-CG 3.11Å; E68-E72 PolarHBondContact O-N 3.46Å; E72-Q75 PolarHBondContact O-N 2.98Å; E72-E76 PolarHBondContact O-N 3.2Å
73	Y	92.4	Very high	88.3	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-75.3	-38.8	178.4	-179.3	-107.5	0	0	0	113	V35 M37 N43 K61 I64 G69 I70 L71 Q75 E76 V77	V35-Y73 HydrophobicContact CB-CD1 4.14Å; V35-Y73 HydrophobicContact CB-CE1 3.94Å; V35-Y73 HydrophobicContact CG1-CD1 4Å; V35-Y73 HydrophobicContact CG1-CE1 3.76Å; V35-Y73 HydrophobicContact CG2-CD1 4.26Å; M37-Y73 HydrophobicContact CE-CD1 3.59Å; M37-Y73 HydrophobicContact CE-CE1 4.18Å; M37-Y73 HydrophobicContact CE-CG 4.29Å; N43-Y73 HydrophobicContact CB-CE1 3.86Å; N43-Y73 VanDerWaalsContact CB-OH 3.32Å; N43-Y73 WeakPolarHBondContact CB-OH 3.47Å; K61-Y73 HydrophobicContact CB-CD2 4.3Å; K61-Y73 HydrophobicContact CB-CE2 3.82Å; K61-Y73 HydrophobicContact CG-CD2 4.02Å; K61-Y73 HydrophobicContact CG-CE2 3.75Å; I64-Y73 HydrophobicContact CD1-CD2 4.38Å; I64-Y73 HydrophobicContact CD1-CG 3.94Å; G69-Y73 WeakPolarHBondContact O-CB 3.31Å; G69-Y73 PolarHBondContact O-N 3.08Å; G69-Y73 VanDerWaalsContact O-N 3.14Å; I70-Y73 PolarHBondContact O-N 3.07Å; I70-Y73 VanDerWaalsContact O-N 3.16Å; L71-Y73 PolarHBondContact O-N 3.22Å; Y73-Q75 VanDerWaalsContact C-N 3.26Å; Y73-Q75 PolarHBondContact O-N 3.29Å; Y73-E76 PolarHBondContact O-N 3.34Å; Y73-V77 HydrophobicContact CD1-CG2 4.35Å; Y73-V77 HydrophobicContact CD2-CG2 4.04Å; Y73-V77 HydrophobicContact CE1-CG2 3.9Å; Y73-V77 HydrophobicContact CE2-CG2 3.56Å; Y73-V77 HydrophobicContact CG-CG2 4.41Å; Y73-V77 VanDerWaalsContact CZ-CG2 3.46Å; Y73-V77 WeakPolarHBondContact O-CB 3.37Å; Y73-V77 VanDerWaalsContact O-CG2 3.26Å; Y73-V77 WeakPolarHBondContact O-CG2 3.38Å; Y73-V77 PolarHBondContact O-N 3Å
74	C	92.1	Very high	88.2	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-57.2	-42.2	168.8	-76.1	0	0	0	0	110.9	I70 L71 V77 Y78 I83 V86 C118	I70-C74 PolarHBondContact O-N 3.46Å; L71-C74 PolarHBondContact O-N 3.19Å; C74-V77 PolarHBondContact O-N 3.28Å; C74-Y78 WeakPolarHBondContact O-CB 3.2Å; C74-Y78 WeakPolarHBondContact O-CD2 3.23Å; C74-Y78 PolarHBondContact O-N 2.93Å; C74-I83 HydrophobicContact CB-CB 4.49Å; C74-I83 HydrophobicContact CB-CG1 4.35Å; C74-I83 HydrophobicContact CB-CG2 3.88Å; C74-V86 HydrophobicContact CB-CG1 4.26Å; C74-V86 WeakPolarHBondContact SG-CG1 3.38Å; C74-C118 HydrophobicContact CB-CB 3.67Å; C74-C118 WeakPolarHBondContact CB-SG 3.39Å; C74-C118 WeakPolarHBondContact SG-CB 3.44Å; C74-C118 CovalentContact SG-SG 2.04Å; C74-C118 PolarHBondContact SG-SG 2.7Å
75	Q	91.4	Very high	88	Confident	89 Å²	89	58.2 Å²	58.2	42%	0.416	32%	0.321	S	S	.	.	H	α-helix	trans	-70.6	-33.5	178.4	-69	171.2	-10.1	0	0	113.3	L71 E72 Y73 I83	L71-Q75 WeakPolarHBondContact O-CG 3.26Å; L71-Q75 PolarHBondContact O-N 3.01Å; E72-Q75 PolarHBondContact O-N 2.98Å; Y73-Q75 VanDerWaalsContact C-N 3.26Å; Y73-Q75 PolarHBondContact O-N 3.29Å; Q75-I83 HydrophobicContact CG-CB 4Å; Q75-I83 PolarHBondContact NE2-O 3.32Å
76	E	91.4	Very high	88.4	Confident	92 Å²	92	53.9 Å²	53.9	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-69.3	-32.6	171.9	-178.1	174.2	142.3	0	0	112.5	S58 K61 E72 Y73	S58-E76 PolarHBondContact OG-OE1 2.87Å; K61-E76 WeakPolarHBondContact CE-OE1 3.4Å; K61-E76 WeakPolarHBondContact CE-OE2 3.34Å; K61-E76 VanDerWaalsContact NZ-CD 3.27Å; K61-E76 IonicContact NZ-OE1 2.59Å; K61-E76 PolarHBondContact NZ-OE1 2.85Å; K61-E76 IonicContact NZ-OE2 2.66Å; K61-E76 PolarHBondContact NZ-OE2 2.84Å; E72-E76 PolarHBondContact O-N 3.2Å; Y73-E76 PolarHBondContact O-N 3.34Å
77	V	90.8	Very high	88.3	Confident	18 Å²	18	51.5 Å²	51.5	11%	0.109	26%	0.259	C	S	.	.	H	α-helix	trans	-86.9	-35	-176.6	170.4	0	0	0	0	112.8	H45 Y73 C74 P79	H45-V77 HydrophobicContact CB-CG1 3.7Å; H45-V77 WeakPolarHBondContact CD2-CG1 3.33Å; Y73-V77 HydrophobicContact CD1-CG2 4.35Å; Y73-V77 HydrophobicContact CD2-CG2 4.04Å; Y73-V77 HydrophobicContact CE1-CG2 3.9Å; Y73-V77 HydrophobicContact CE2-CG2 3.56Å; Y73-V77 HydrophobicContact CG-CG2 4.41Å; Y73-V77 VanDerWaalsContact CZ-CG2 3.46Å; Y73-V77 WeakPolarHBondContact O-CB 3.37Å; Y73-V77 VanDerWaalsContact O-CG2 3.26Å; Y73-V77 WeakPolarHBondContact O-CG2 3.38Å; Y73-V77 PolarHBondContact O-N 3Å; C74-V77 PolarHBondContact O-N 3.28Å; V77-P79 VanDerWaalsContact O-CD 3.23Å; V77-P79 WeakPolarHBondContact O-CD 3.49Å
78	Y	91.7	Very high	88.5	Confident	15 Å²	15	51.7 Å²	51.7	6%	0.059	26%	0.261	C	S	.	.			trans	-118.2	62.1	-178.6	-57.4	-67.3	0	0	0	111.9	P33 Q34 V35 I46 V48 C74 E80 L81 C118	P33-Y78 HydrophobicContact CB-CD1 4.19Å; P33-Y78 HydrophobicContact CB-CD2 3.83Å; P33-Y78 HydrophobicContact CB-CE1 3.94Å; P33-Y78 HydrophobicContact CB-CE2 3.55Å; P33-Y78 HydrophobicContact CB-CG 4.13Å; Q34-Y78 PolarHBondContact N-OH 2.76Å; Q34-Y78 PolarHBondContact O-OH 3.43Å; V35-Y78 HydrophobicContact CG1-CE2 4.06Å; I46-Y78 PolarHBondContact N-OH 3.14Å; I46-Y78 VanDerWaalsContact N-OH 3.16Å; I46-Y78 VanDerWaalsContact O-CE1 3.3Å; I46-Y78 WeakPolarHBondContact O-CE1 3.32Å; I46-Y78 PolarHBondContact O-OH 3.22Å; V48-Y78 HydrophobicContact CG1-CD1 4.46Å; V48-Y78 HydrophobicContact CG1-CE1 3.92Å; C74-Y78 WeakPolarHBondContact O-CB 3.2Å; C74-Y78 WeakPolarHBondContact O-CD2 3.23Å; C74-Y78 PolarHBondContact O-N 2.93Å; Y78-E80 PolarHBondContact O-N 3.25Å; Y78-E80 VanDerWaalsContact O-N 3.12Å; Y78-L81 HydrophobicContact CD1-CD1 4.29Å; Y78-L81 HydrophobicContact CG-CD1 4.28Å; Y78-L81 PolarHBondContact O-N 2.86Å; Y78-C118 HydrophobicContact CD2-CB 4.34Å; Y78-C118 HydrophobicContact CE2-CB 4.43Å
79	P	87.7	Confident	88.3	Confident	105 Å²	105	47.1 Å²	47.1	68%	0.682	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.8	-175.4	29.9	-37.7	0	0	0	114.2	V77	V77-P79 VanDerWaalsContact O-CD 3.23Å; V77-P79 WeakPolarHBondContact O-CD 3.49Å
80	E	85.3	Confident	87.6	Confident	149 Å²	149	49.1 Å²	49.1	70%	0.696	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-7.4	176.2	-63.6	177.1	-179.8	0	0	112.7	Y78	Y78-E80 PolarHBondContact O-N 3.25Å; Y78-E80 VanDerWaalsContact O-N 3.12Å
81	L	86.5	Confident	87	Confident	18 Å²	18	56.2 Å²	56.2	9%	0.094	28%	0.284	C	S	.	.	S	Bend	trans	-112	138.8	-179.5	-58.9	-177.9	0	0	0	111.2	V25 L29 P33 Y78 I83 V120	V25-L81 HydrophobicContact CB-CD2 4.43Å; V25-L81 HydrophobicContact CG1-CD2 3.67Å; L29-L81 HydrophobicContact CD1-CD1 4.37Å; L29-L81 HydrophobicContact CD1-CD2 4.17Å; L29-L81 HydrophobicContact CD2-CD2 4.42Å; P33-L81 HydrophobicContact CB-CD1 3.96Å; P33-L81 HydrophobicContact CG-CD1 3.86Å; Y78-L81 HydrophobicContact CD1-CD1 4.29Å; Y78-L81 HydrophobicContact CG-CD1 4.28Å; Y78-L81 PolarHBondContact O-N 2.86Å; L81-I83 VanDerWaalsContact C-N 3.27Å; L81-I83 HydrophobicContact CB-CD1 3.64Å; L81-I83 HydrophobicContact CB-CG1 4.31Å; L81-I83 HydrophobicContact CD1-CD1 4.36Å; L81-I83 PolarHBondContact O-N 2.03Å; L81-V120 HydrophobicContact CB-CG1 4.26Å; L81-V120 HydrophobicContact CB-CG2 4.38Å; L81-V120 HydrophobicContact CD1-CG2 4.18Å
82	Q	86.6	Confident	86.8	Confident	152 Å²	152	58.5 Å²	58.5	71%	0.71	30%	0.3	S	S	*	.			trans	-79.3	71.8	177.8	-61.5	-172.5	29.4	0	0	111	T84 G121	Q82-T84 PolarHBondContact O-N 3.28Å; Q82-G121 PolarHBondContact O-N 2.85Å
83	I	87.8	Confident	86.7	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.036	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	115.6	-179.1	-47.4	-53.2	0	0	0	110.7	L71 C74 Q75 L81 C118 L119 V120	L71-I83 HydrophobicContact CD1-CG2 3.79Å; C74-I83 HydrophobicContact CB-CB 4.49Å; C74-I83 HydrophobicContact CB-CG1 4.35Å; C74-I83 HydrophobicContact CB-CG2 3.88Å; Q75-I83 HydrophobicContact CG-CB 4Å; Q75-I83 PolarHBondContact NE2-O 3.32Å; L81-I83 VanDerWaalsContact C-N 3.27Å; L81-I83 HydrophobicContact CB-CD1 3.64Å; L81-I83 HydrophobicContact CB-CG1 4.31Å; L81-I83 HydrophobicContact CD1-CD1 4.36Å; L81-I83 PolarHBondContact O-N 2.03Å; I83-C118 HydrophobicContact CD1-CB 3.94Å; I83-C118 HydrophobicContact CG1-CB 4.32Å; I83-C118 HydrophobicContact CG2-CB 3.93Å; I83-L119 CarbonylContact C-O 3.57Å; I83-L119 VanDerWaalsContact CA-O 3.32Å; I83-L119 WeakPolarHBondContact CA-O 3.46Å; I83-V120 HydrophobicContact CD1-CG2 3.82Å
84	T	83.9	Confident	86.5	Confident	74 Å²	74	57.5 Å²	57.5	45%	0.454	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-32.6	-177.4	57.9	0	0	0	0	113.5	Q82 L119 G121	Q82-T84 PolarHBondContact O-N 3.28Å; T84-L119 PolarHBondContact N-O 3.49Å; T84-G121 WeakPolarHBondContact CB-O 3.47Å; T84-G121 WeakPolarHBondContact CG2-O 3.31Å; T84-G121 PolarHBondContact OG1-O 3.21Å
85	N	84.7	Confident	86.3	Confident	15 Å²	15	57.8 Å²	57.8	8%	0.08	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	167.2	-175.8	-158.1	-1.1	0	0	0	111.6	L119 G176 I177	N85-L119 HydrophobicContact CB-CB 4.46Å; N85-L119 HydrophobicContact CB-CD1 4.41Å; N85-L119 PolarHBondContact O-N 2.9Å; N85-G176 PolarHBondContact ND2-O 3.11Å; N85-I177 WeakPolarHBondContact OD1-CA 3.26Å
86	V	88.3	Confident	85.9	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	141.5	174.4	-66.3	0	0	0	0	110.8	I70 L71 C74 R117 I177	I70-V86 HydrophobicContact CB-CG2 4.39Å; I70-V86 HydrophobicContact CG2-CB 4.36Å; I70-V86 HydrophobicContact CG2-CG1 4.31Å; I70-V86 HydrophobicContact CG2-CG2 4.24Å; L71-V86 HydrophobicContact CB-CG1 4.13Å; L71-V86 HydrophobicContact CB-CG2 4.15Å; L71-V86 HydrophobicContact CD1-CG1 4.06Å; C74-V86 HydrophobicContact CB-CG1 4.26Å; C74-V86 WeakPolarHBondContact SG-CG1 3.38Å; V86-R117 WeakPolarHBondContact CA-O 3.48Å; V86-I177 HydrophobicContact CG2-CG2 3.82Å
87	V	85.6	Confident	85.4	Confident	6 Å²	6	59 Å²	59	4%	0.036	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154	178.7	-61.2	0	0	0	0	110.9	Y116 R117 L119 D178 F180	V87-Y116 CarbonylContact O-C 3.54Å; V87-Y116 WeakPolarHBondContact O-CA 3.37Å; V87-R117 HydrophobicContact CG2-CB 3.79Å; V87-R117 HydrophobicContact CG2-CG 4.26Å; V87-R117 PolarHBondContact N-O 2.91Å; V87-R117 PolarHBondContact O-N 3.34Å; V87-L119 HydrophobicContact CG1-CD1 3.89Å; V87-L119 HydrophobicContact CG2-CD1 4.24Å; V87-L119 HydrophobicContact CG2-CD2 4.15Å; V87-L119 HydrophobicContact CG2-CG 4.29Å; V87-D178 WeakPolarHBondContact CA-OD1 3.35Å; V87-F180 HydrophobicContact CG1-CE2 4Å; V87-F180 HydrophobicContact CG1-CZ 3.53Å
88	E	86.7	Confident	85.1	Confident	64 Å²	64	58.2 Å²	58.2	30%	0.299	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	134.2	170.5	-69.7	170.2	-141.7	0	0	109.6	K67 V114 Y116	K67-E88 WeakPolarHBondContact CE-OE1 3.39Å; K67-E88 IonicContact NZ-OE1 2.72Å; K67-E88 PolarHBondContact NZ-OE1 2.64Å; E88-V114 HydrophobicContact CB-CG1 4.22Å; E88-Y116 HydrophobicContact CG-CD1 3.79Å; E88-Y116 HydrophobicContact CG-CE1 3.26Å; E88-Y116 HydrophobicContact CG-CE2 4.5Å; E88-Y116 PolarHBondContact OE1-OH 2.82Å
89	A	82.8	Confident	84.7	Confident	14 Å²	14	57.8 Å²	57.8	12%	0.116	31%	0.31	C	S	.	.			trans	-75.9	147	-176.8	0	0	0	0	0	112.9	Q91 V114 P115 R117	A89-Q91 PolarHBondContact O-N 2.95Å; A89-Q91 VanDerWaalsContact O-N 3.07Å; A89-V114 WeakPolarHBondContact O-CG1 3.02Å; A89-P115 HydrophobicContact CB-CG 3.76Å; A89-P115 WeakPolarHBondContact CB-O 3.43Å; A89-P115 PolarHBondContact N-O 3.19Å; A89-R117 HydrophobicContact CB-CG 3.91Å
90	N	74.1	Confident	84.2	Confident	51 Å²	51	58.6 Å²	58.6	27%	0.273	30%	0.303	S	S	.	.	S	Bend	trans	-59	-23.6	-176.9	-67.1	5.9	0	0	0	114.4	H148 Y169	N90-H148 PolarHBondContact OD1-CE1 3.12Å; N90-H148 VanDerWaalsContact OD1-CE1 3.28Å; N90-Y169 HydrophobicContact CB-CE1 4.37Å; N90-Y169 PolarHBondContact ND2-O 2.77Å; N90-Y169 PolarHBondContact OD1-OH 3.36Å
91	Q	76.1	Confident	83.5	Confident	153 Å²	153	57.6 Å²	57.6	72%	0.715	30%	0.296	S	S	*	.	S	Bend	trans	-129.3	140.9	-176.4	-60.4	-171.9	9.7	0	0	113	A89	A89-Q91 PolarHBondContact O-N 2.95Å; A89-Q91 VanDerWaalsContact O-N 3.07Å
92	P	86.1	Confident	82.5	Confident	71 Å²	71	59.7 Å²	59.7	46%	0.461	32%	0.323	S	S	.	.			trans	-80.2	135.3	175.7	32.7	-34.1	0	0	0	112.1	M112 V113 V114	P92-M112 HydrophobicContact CB-CG 3.82Å; P92-M112 HydrophobicContact CB-SD 4.26Å; P92-M112 HydrophobicContact CG-CG 4.4Å; P92-M112 HydrophobicContact CG-SD 4.23Å; P92-V113 CarbonylContact C-O 3.56Å; P92-V113 WeakPolarHBondContact CA-O 3.37Å; P92-V114 HydrophobicContact CB-CG2 4.13Å
93	V	88.3	Confident	81.6	Confident	42 Å²	42	60.9 Å²	60.9	26%	0.255	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	147.7	-178.5	-61.4	0	0	0	0	112.6	W53 I95 M112 V113 P115	W53-V93 HydrophobicContact CZ2-CG2 3.99Å; V93-I95 HydrophobicContact CG2-CD1 3.82Å; V93-I95 HydrophobicContact CG2-CG1 3.87Å; V93-M112 WeakPolarHBondContact O-CA 3.26Å; V93-V113 HydrophobicContact CG2-CG2 4.18Å; V93-V113 PolarHBondContact N-O 3.07Å; V93-V113 PolarHBondContact O-N 3.33Å; V93-P115 HydrophobicContact CG1-CG 4.21Å; V93-P115 HydrophobicContact CG2-CB 4.3Å; V93-P115 HydrophobicContact CG2-CG 3.93Å
94	S	88.6	Confident	80.2	Confident	72 Å²	72	68.4 Å²	68.4	50%	0.503	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	85.4	-177.2	55.2	0	0	0	0	112.4
95	I	87.1	Confident	79.1	Confident	5 Å²	5	72.8 Å²	72.8	3%	0.026	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	130.8	-174.3	-59.4	170.8	0	0	0	111	A36 M44 W53 V93 W98 M110 H111 V113	A36-I95 HydrophobicContact CB-CD1 3.36Å; M44-I95 HydrophobicContact CE-CG2 4.3Å; M44-I95 HydrophobicContact CG-CG2 4.24Å; W53-I95 HydrophobicContact CB-CG2 4.33Å; W53-I95 HydrophobicContact CD2-CD1 3.57Å; W53-I95 HydrophobicContact CD2-CG1 4.02Å; W53-I95 HydrophobicContact CE3-CD1 3.74Å; W53-I95 HydrophobicContact CG-CD1 4.16Å; W53-I95 HydrophobicContact CG-CG1 4.12Å; W53-I95 HydrophobicContact CG-CG2 4.38Å; W53-I95 HydrophobicContact CH2-CD1 4.03Å; W53-I95 HydrophobicContact CZ2-CD1 3.86Å; W53-I95 HydrophobicContact CZ3-CD1 3.97Å; V93-I95 HydrophobicContact CG2-CD1 3.82Å; V93-I95 HydrophobicContact CG2-CG1 3.87Å; I95-W98 HydrophobicContact CB-CZ2 3.87Å; I95-W98 HydrophobicContact CD1-CH2 4.48Å; I95-W98 HydrophobicContact CD1-CZ2 4Å; I95-W98 HydrophobicContact CG1-CZ2 4.5Å; I95-W98 HydrophobicContact CG2-CD2 4.45Å; I95-W98 HydrophobicContact CG2-CZ2 4.06Å; I95-W98 VanDerWaalsContact O-CD1 3.32Å; I95-W98 PolarHBondContact O-NE1 2.98Å; I95-M110 WeakPolarHBondContact O-CA 3.5Å; I95-H111 PolarHBondContact N-O 2.81Å; I95-H111 PolarHBondContact O-N 3.01Å; I95-V113 HydrophobicContact CD1-CG2 3.91Å; I95-V113 HydrophobicContact CG1-CG2 4.48Å
96	Q	84.4	Confident	78.4	Confident	117 Å²	117	73.7 Å²	73.7	55%	0.547	38%	0.383	S	S	.	.			trans	-98.8	175.7	175.9	-57.9	-170.6	15.8	0	0	111.9	W98 M110	Q96-W98 VanDerWaalsContact C-N 3.27Å; Q96-W98 PolarHBondContact O-N 3.45Å; Q96-W98 VanDerWaalsContact O-N 3.07Å; Q96-M110 HydrophobicContact CG-CB 3.97Å; Q96-M110 HydrophobicContact CG-CG 3.76Å; Q96-M110 HydrophobicContact CG-SD 3.84Å
97	N	81.3	Confident	77.3	Confident	90 Å²	90	81.6 Å²	81.6	48%	0.481	42%	0.42	S	S	.	.			trans	54.9	30.6	167.9	-61.2	-39.6	0	0	0	116.5	C99 C106	N97-C99 PolarHBondContact O-N 3.33Å; N97-C106 CarbonylContact C-O 3.16Å; N97-C106 WeakPolarHBondContact CA-O 3.28Å; N97-C106 WeakPolarHBondContact O-CB 3.43Å; N97-C106 VanDerWaalsContact O-O 3.1Å
98	W	84.4	Confident	76.3	Confident	1 Å²	1	82.6 Å²	82.6	0%	0.004	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-63.3	134.1	177.1	-63.7	74.9	0	0	0	112.2	A36 F38 K41 L42 M44 I95 Q96 S108 V113	A36-W98 HydrophobicContact CB-CH2 4.06Å; F38-W98 HydrophobicContact CB-CD2 4.35Å; F38-W98 HydrophobicContact CB-CE3 3.89Å; F38-W98 HydrophobicContact CB-CH2 3.66Å; F38-W98 HydrophobicContact CB-CZ2 4.12Å; F38-W98 HydrophobicContact CB-CZ3 3.53Å; K41-W98 HydrophobicContact CB-CB 4.48Å; K41-W98 HydrophobicContact CB-CE3 4.16Å; K41-W98 HydrophobicContact CD-CB 3.25Å; K41-W98 HydrophobicContact CD-CD2 4.14Å; K41-W98 HydrophobicContact CD-CE3 4.29Å; K41-W98 HydrophobicContact CD-CG 3.76Å; K41-W98 HydrophobicContact CG-CB 4.47Å; L42-W98 VanDerWaalsContact O-CE3 3.31Å; L42-W98 WeakPolarHBondContact O-CZ3 3.46Å; M44-W98 HydrophobicContact CB-CH2 4.49Å; M44-W98 HydrophobicContact CB-CZ3 4.3Å; M44-W98 HydrophobicContact CG-CD2 3.89Å; M44-W98 HydrophobicContact CG-CE3 3.47Å; M44-W98 VanDerWaalsContact CG-CE3 3.47Å; M44-W98 HydrophobicContact CG-CH2 3.98Å; M44-W98 HydrophobicContact CG-CZ2 4.37Å; M44-W98 HydrophobicContact CG-CZ3 3.51Å; M44-W98 HydrophobicContact SD-CE3 4.34Å; I95-W98 HydrophobicContact CB-CZ2 3.87Å; I95-W98 HydrophobicContact CD1-CH2 4.48Å; I95-W98 HydrophobicContact CD1-CZ2 4Å; I95-W98 HydrophobicContact CG1-CZ2 4.5Å; I95-W98 HydrophobicContact CG2-CD2 4.45Å; I95-W98 HydrophobicContact CG2-CZ2 4.06Å; I95-W98 VanDerWaalsContact O-CD1 3.32Å; I95-W98 PolarHBondContact O-NE1 2.98Å; Q96-W98 VanDerWaalsContact C-N 3.27Å; Q96-W98 PolarHBondContact O-N 3.45Å; Q96-W98 VanDerWaalsContact O-N 3.07Å; W98-S108 PolarHBondContact O-OG 2.86Å; W98-V113 HydrophobicContact CH2-CG1 4.38Å; W98-V113 HydrophobicContact CH2-CG2 4.28Å; W98-V113 HydrophobicContact CZ2-CG1 4.05Å; W98-V113 HydrophobicContact CZ2-CG2 3.88Å
99	C	82.3	Confident	75.6	Confident	6 Å²	6	87.3 Å²	87.3	4%	0.041	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-77.7	145.5	175.6	-54.4	0	0	0	0	112.7	K41 L42 N97 C106	K41-C99 WeakPolarHBondContact CA-O 3.42Å; K41-C99 WeakPolarHBondContact CB-O 3.48Å; L42-C99 HydrophobicContact CB-CB 4.27Å; L42-C99 HydrophobicContact CD1-CB 3.85Å; L42-C99 HydrophobicContact CG-CB 4.16Å; L42-C99 PolarHBondContact N-O 3.12Å; N97-C99 PolarHBondContact O-N 3.33Å; C99-C106 VanDerWaalsContact CA-SG 3.56Å; C99-C106 HydrophobicContact CB-CB 3.87Å; C99-C106 WeakPolarHBondContact CB-SG 3.48Å; C99-C106 WeakPolarHBondContact SG-CB 3.28Å; C99-C106 CovalentContact SG-SG 2.03Å; C99-C106 PolarHBondContact SG-SG 2.85Å
100	K	76.8	Confident	75.6	Confident	122 Å²	122	91.8 Å²	91.8	53%	0.53	47%	0.469	S	S	.	.	B	Isolated β-bridge	trans	-86.8	141.5	167.7	-70.7	-173.7	178.8	-178.6	0	109.9	G102 R103	K100-G102 PolarHBondContact O-N 3.28Å; K100-G102 VanDerWaalsContact O-N 3.15Å; K100-R103 PolarHBondContact O-N 2.88Å
101	K	71.1	Confident	76	Confident	128 Å²	128	91.9 Å²	91.9	56%	0.557	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	119.4	-179.1	-175.6	161.3	176.7	152.1	0	111.3	L42 R60	L42-K101 HydrophobicContact CD2-CB 4.12Å; L42-K101 HydrophobicContact CD2-CG 4.24Å; R60-K101 WeakPolarHBondContact O-CE 2.95Å; R60-K101 PolarHBondContact O-NZ 3.37Å
102	G	65.4	Low	76.5	Confident	63 Å²	63	91.3 Å²	91.3	65%	0.649	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	25.9	-176.7	0	0	0	0	0	116	K100	K100-G102 PolarHBondContact O-N 3.28Å; K100-G102 VanDerWaalsContact O-N 3.15Å
103	R	69.1	Low	76.7	Confident	177 Å²	177	88.7 Å²	88.7	67%	0.668	45%	0.449	S	S	*	.			trans	-135.8	133.9	170.5	-68.1	-169.2	179.4	-159.3	-0.1	112.9	K100	K100-R103 PolarHBondContact O-N 2.88Å
104	N	58.3	Low	76.7	Confident	165 Å²	165	90 Å²	90	88%	0.882	46%	0.457	S	S	*	.	S	Bend	trans	-86.3	-4.9	-173.2	-46.6	34.7	0	0	0	114.2
105	Q	60.6	Low	76.8	Confident	165 Å²	165	86.6 Å²	86.6	77%	0.771	43%	0.434	S	S	*	.			trans	-111	118.5	176.8	-79	-179.2	-20.4	0	0	109.4
106	C	69.1	Low	77	Confident	34 Å²	34	88.5 Å²	88.5	23%	0.23	44%	0.441	C	S	.	.			trans	-110.1	47.3	-164.2	-49	0	0	0	0	112.7	N97 C99 S108	N97-C106 CarbonylContact C-O 3.16Å; N97-C106 WeakPolarHBondContact CA-O 3.28Å; N97-C106 WeakPolarHBondContact O-CB 3.43Å; N97-C106 VanDerWaalsContact O-O 3.1Å; C99-C106 VanDerWaalsContact CA-SG 3.56Å; C99-C106 HydrophobicContact CB-CB 3.87Å; C99-C106 WeakPolarHBondContact CB-SG 3.48Å; C99-C106 WeakPolarHBondContact SG-CB 3.28Å; C99-C106 CovalentContact SG-SG 2.03Å; C99-C106 PolarHBondContact SG-SG 2.85Å; C106-S108 PolarHBondContact O-N 3.12Å
107	H	64.7	Low	77.3	Confident	167 Å²	167	84.6 Å²	84.6	77%	0.773	42%	0.421	S	S	*	.			trans	-83.3	109.7	168.7	-66.7	-57.1	0	0	0	110.3
108	S	65.4	Low	77.8	Confident	28 Å²	28	80.4 Å²	80.4	20%	0.196	40%	0.398	C	S	.	.			trans	-150.4	159.8	163.4	66.2	0	0	0	0	110.8	K41 W98 C106	K41-S108 PolarHBondContact NZ-OG 3.03Å; W98-S108 PolarHBondContact O-OG 2.86Å; C106-S108 PolarHBondContact O-N 3.12Å
109	H	72.6	Confident	77.9	Confident	163 Å²	163	81.5 Å²	81.5	76%	0.755	40%	0.404	S	S	*	.			trans	-56.8	158.4	179	-56.4	-76.9	0	0	0	112.1	H111	H109-H111 PolarHBondContact O-CD2 2.91Å
110	M	81.5	Confident	78.1	Confident	107 Å²	107	84.1 Å²	84.1	53%	0.527	42%	0.42	S	S	.	.			trans	-61.1	137.9	171.7	-167.4	162.2	71	0	0	110.5	I95 Q96	I95-M110 WeakPolarHBondContact O-CA 3.5Å; Q96-M110 HydrophobicContact CG-CB 3.97Å; Q96-M110 HydrophobicContact CG-CG 3.76Å; Q96-M110 HydrophobicContact CG-SD 3.84Å
111	H	83.2	Confident	78.1	Confident	53 Å²	53	79.4 Å²	79.4	25%	0.245	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.7	170.7	-68.7	-97.5	0	0	0	110	F38 K41 I95 H109	F38-H111 HydrophobicContact CD2-CB 4.21Å; F38-H111 HydrophobicContact CE2-CB 4.2Å; F38-H111 AromaticContact CE2-CG 3.9Å; F38-H111 AromaticContact CE2-ND1 3.35Å; F38-H111 VanDerWaalsContact CE2-ND1 3.35Å; F38-H111 WeakPolarHBondContact CE2-ND1 3.33Å; F38-H111 AromaticContact CZ-CE1 3.63Å; F38-H111 AromaticContact CZ-ND1 3.4Å; F38-H111 WeakPolarHBondContact CZ-ND1 3.21Å; K41-H111 PolarHBondContact NZ-CD2 3.09Å; K41-H111 PolarHBondContact NZ-NE2 2.98Å; I95-H111 PolarHBondContact N-O 2.81Å; I95-H111 PolarHBondContact O-N 3.01Å; H109-H111 PolarHBondContact O-CD2 2.91Å
112	M	86.5	Confident	78.1	Confident	141 Å²	141	82.1 Å²	82.1	70%	0.695	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	128.9	166.6	-175	178.2	-76.9	0	0	108.8	P92 V93	P92-M112 HydrophobicContact CB-CG 3.82Å; P92-M112 HydrophobicContact CB-SD 4.26Å; P92-M112 HydrophobicContact CG-CG 4.4Å; P92-M112 HydrophobicContact CG-SD 4.23Å; V93-M112 WeakPolarHBondContact O-CA 3.26Å
113	V	89.4	Confident	78.4	Confident	17 Å²	17	81.5 Å²	81.5	10%	0.103	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149.1	177.9	-67.3	0	0	0	0	109.7	A36 F38 P92 V93 I95 W98	A36-V113 HydrophobicContact CB-CG2 4.04Å; F38-V113 HydrophobicContact CD2-CG1 3.89Å; P92-V113 CarbonylContact C-O 3.56Å; P92-V113 WeakPolarHBondContact CA-O 3.37Å; V93-V113 HydrophobicContact CG2-CG2 4.18Å; V93-V113 PolarHBondContact N-O 3.07Å; V93-V113 PolarHBondContact O-N 3.33Å; I95-V113 HydrophobicContact CD1-CG2 3.91Å; I95-V113 HydrophobicContact CG1-CG2 4.48Å; W98-V113 HydrophobicContact CH2-CG1 4.38Å; W98-V113 HydrophobicContact CH2-CG2 4.28Å; W98-V113 HydrophobicContact CZ2-CG1 4.05Å; W98-V113 HydrophobicContact CZ2-CG2 3.88Å
114	V	88.6	Confident	78.3	Confident	69 Å²	69	79 Å²	79	42%	0.418	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-81.8	123.1	163.9	179.4	0	0	0	0	107.4	E88 A89 P92	E88-V114 HydrophobicContact CB-CG1 4.22Å; A89-V114 WeakPolarHBondContact O-CG1 3.02Å; P92-V114 HydrophobicContact CB-CG2 4.13Å
115	P	92	Very high	79	Confident	1 Å²	1	73 Å²	73	1%	0.006	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-83	162.4	174.2	34.4	-30.2	0	0	0	110.6	A36 W53 A89 V93	A36-P115 HydrophobicContact CB-CB 4.3Å; W53-P115 HydrophobicContact CH2-CB 3.91Å; W53-P115 HydrophobicContact CZ2-CB 4.4Å; A89-P115 HydrophobicContact CB-CG 3.76Å; A89-P115 WeakPolarHBondContact CB-O 3.43Å; A89-P115 PolarHBondContact N-O 3.19Å; V93-P115 HydrophobicContact CG1-CG 4.21Å; V93-P115 HydrophobicContact CG2-CB 4.3Å; V93-P115 HydrophobicContact CG2-CG 3.93Å
116	Y	91.3	Very high	79.4	Confident	45 Å²	45	67.6 Å²	67.6	18%	0.176	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.6	168.6	-68.6	-99.2	0	0	0	109.4	Q34 V35 I70 V87 E88	Q34-Y116 CarbonylContact C-O 3.58Å; Q34-Y116 VanDerWaalsContact CA-O 3.26Å; Q34-Y116 WeakPolarHBondContact CA-O 3.38Å; V35-Y116 PolarHBondContact N-O 3.06Å; V35-Y116 PolarHBondContact O-N 3.48Å; I70-Y116 HydrophobicContact CD1-CD1 4.11Å; I70-Y116 HydrophobicContact CD1-CD2 4.21Å; I70-Y116 HydrophobicContact CD1-CE1 3.68Å; I70-Y116 HydrophobicContact CD1-CE2 3.83Å; I70-Y116 HydrophobicContact CD1-CG 4.35Å; I70-Y116 HydrophobicContact CG2-CD1 4.07Å; I70-Y116 HydrophobicContact CG2-CD2 4.35Å; I70-Y116 HydrophobicContact CG2-CG 3.88Å; V87-Y116 CarbonylContact O-C 3.54Å; V87-Y116 WeakPolarHBondContact O-CA 3.37Å; E88-Y116 HydrophobicContact CG-CD1 3.79Å; E88-Y116 HydrophobicContact CG-CE1 3.26Å; E88-Y116 HydrophobicContact CG-CE2 4.5Å; E88-Y116 PolarHBondContact OE1-OH 2.82Å
117	R	90.1	Very high	79.6	Confident	35 Å²	35	70.7 Å²	70.7	13%	0.132	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	132.3	171.5	-53.4	168	62.1	-164.6	-1.7	108.3	E32 Q34 V86 V87 A89 L119 D126	E32-R117 VanDerWaalsContact CD-NE 3.31Å; E32-R117 IonicContact OE1-CZ 3.36Å; E32-R117 IonicContact OE1-NE 2.73Å; E32-R117 PolarHBondContact OE1-NE 3.34Å; E32-R117 IonicContact OE1-NH2 2.81Å; E32-R117 PolarHBondContact OE1-NH2 3.49Å; E32-R117 WeakPolarHBondContact OE2-CG 3.06Å; E32-R117 IonicContact OE2-NE 3.81Å; E32-R117 PolarHBondContact OE2-NE 3.47Å; Q34-R117 HydrophobicContact CG-CG 4.32Å; V86-R117 WeakPolarHBondContact CA-O 3.48Å; V87-R117 HydrophobicContact CG2-CB 3.79Å; V87-R117 HydrophobicContact CG2-CG 4.26Å; V87-R117 PolarHBondContact N-O 2.91Å; V87-R117 PolarHBondContact O-N 3.34Å; A89-R117 HydrophobicContact CB-CG 3.91Å; R117-L119 HydrophobicContact CB-CD2 4.17Å; R117-D126 IonicContact CZ-OD1 2.6Å; R117-D126 IonicContact CZ-OD2 3.81Å; R117-D126 VanDerWaalsContact NH1-CG 3.29Å; R117-D126 IonicContact NH1-OD1 3.72Å; R117-D126 PolarHBondContact NH1-OD1 2.93Å; R117-D126 VanDerWaalsContact NH1-OD1 3.12Å; R117-D126 IonicContact NH1-OD2 3.78Å; R117-D126 PolarHBondContact NH1-OD2 2.79Å; R117-D126 IonicContact NH2-OD1 2.91Å; R117-D126 PolarHBondContact NH2-OD1 3.4Å; R117-D126 IonicContact NH2-OD2 3.6Å
118	C	91	Very high	80.4	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.007	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	97.7	177.4	-56.9	0	0	0	0	108.5	P33 C74 Y78 I83 V120	P33-C118 HydrophobicContact CB-CB 4.17Å; P33-C118 HydrophobicContact CG-CB 4.35Å; P33-C118 WeakPolarHBondContact CG-O 3.3Å; P33-C118 WeakPolarHBondContact O-CB 3.46Å; P33-C118 PolarHBondContact O-N 2.98Å; C74-C118 HydrophobicContact CB-CB 3.67Å; C74-C118 WeakPolarHBondContact CB-SG 3.39Å; C74-C118 WeakPolarHBondContact SG-CB 3.44Å; C74-C118 CovalentContact SG-SG 2.04Å; C74-C118 PolarHBondContact SG-SG 2.7Å; Y78-C118 HydrophobicContact CD2-CB 4.34Å; Y78-C118 HydrophobicContact CE2-CB 4.43Å; I83-C118 HydrophobicContact CD1-CB 3.94Å; I83-C118 HydrophobicContact CG1-CB 4.32Å; I83-C118 HydrophobicContact CG2-CB 3.93Å; C118-V120 PolarHBondContact O-N 2.81Å
119	L	86.3	Confident	81.1	Confident	24 Å²	24	69.3 Å²	69.3	13%	0.126	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	126.1	-170.5	-57	-174.9	0	0	0	111.3	I83 T84 N85 V87 R117 F123	I83-L119 CarbonylContact C-O 3.57Å; I83-L119 VanDerWaalsContact CA-O 3.32Å; I83-L119 WeakPolarHBondContact CA-O 3.46Å; T84-L119 PolarHBondContact N-O 3.49Å; N85-L119 HydrophobicContact CB-CB 4.46Å; N85-L119 HydrophobicContact CB-CD1 4.41Å; N85-L119 PolarHBondContact O-N 2.9Å; V87-L119 HydrophobicContact CG1-CD1 3.89Å; V87-L119 HydrophobicContact CG2-CD1 4.24Å; V87-L119 HydrophobicContact CG2-CD2 4.15Å; V87-L119 HydrophobicContact CG2-CG 4.29Å; R117-L119 HydrophobicContact CB-CD2 4.17Å; L119-F123 HydrophobicContact CD1-CD2 3.68Å; L119-F123 HydrophobicContact CD1-CE2 3.75Å
120	V	86.4	Confident	81.7	Confident	61 Å²	61	64.4 Å²	64.4	37%	0.37	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.9	-176.5	-167	0	0	0	0	110	P33 L81 I83 C118	P33-V120 HydrophobicContact CG-CG2 3.8Å; L81-V120 HydrophobicContact CB-CG1 4.26Å; L81-V120 HydrophobicContact CB-CG2 4.38Å; L81-V120 HydrophobicContact CD1-CG2 4.18Å; I83-V120 HydrophobicContact CD1-CG2 3.82Å; C118-V120 PolarHBondContact O-N 2.81Å
121	G	77.5	Confident	81.6	Confident	24 Å²	24	61.7 Å²	61.7	25%	0.247	35%	0.347	C	S	.	.	S	Bend	trans	77.6	-157.2	174.8	0	0	0	0	0	114.2	Q82 T84	Q82-G121 PolarHBondContact O-N 2.85Å; T84-G121 WeakPolarHBondContact CB-O 3.47Å; T84-G121 WeakPolarHBondContact CG2-O 3.31Å; T84-G121 PolarHBondContact OG1-O 3.21Å
122	E	70.4	Confident	80.8	Confident	185 Å²	185	66.7 Å²	66.7	86%	0.864	38%	0.376	S	S	*	.	S	Bend	trans	-69.6	148.3	173.9	-172.7	157.9	-156.1	0	0	110.5	V124	E122-V124 PolarHBondContact O-N 2.93Å
123	F	71.6	Confident	80.3	Confident	49 Å²	49	69 Å²	69	22%	0.215	38%	0.382	C	S	.	.			trans	-72.1	119.2	-176.7	-178.6	-83.2	0	0	0	110.8	L119 M171 P174 F180	L119-F123 HydrophobicContact CD1-CD2 3.68Å; L119-F123 HydrophobicContact CD1-CE2 3.75Å; F123-M171 VanDerWaalsContact CE1-O 3.3Å; F123-M171 WeakPolarHBondContact CE1-O 3.46Å; F123-M171 HydrophobicContact CZ-CB 4.26Å; F123-M171 VanDerWaalsContact CZ-O 3.29Å; F123-M171 WeakPolarHBondContact CZ-O 3.44Å; F123-P174 HydrophobicContact CB-CG 3.66Å; F123-P174 HydrophobicContact CD1-CG 4.09Å; F123-P174 HydrophobicContact CD2-CB 4.5Å; F123-P174 HydrophobicContact CD2-CG 4.3Å; F123-P174 HydrophobicContact CG-CB 4.41Å; F123-P174 HydrophobicContact CG-CG 3.76Å; F123-F180 HydrophobicContact CD2-CE1 4.29Å; F123-F180 HydrophobicContact CE2-CD1 4.49Å; F123-F180 AromaticContact CE2-CE1 3.56Å; F123-F180 HydrophobicContact CE2-CE1 3.56Å; F123-F180 HydrophobicContact CE2-CZ 4.19Å; F123-F180 HydrophobicContact CZ-CD1 4.27Å; F123-F180 AromaticContact CZ-CE1 3.75Å; F123-F180 HydrophobicContact CZ-CE1 3.75Å
124	V	68.6	Low	80.2	Confident	125 Å²	125	69 Å²	69	76%	0.758	38%	0.383	S	S	*	.			trans	-108.6	142.7	163.8	-171	0	0	0	0	106.9	E122	E122-V124 PolarHBondContact O-N 2.93Å
125	S	71.8	Confident	80	Confident	40 Å²	40	71.7 Å²	71.7	28%	0.28	39%	0.389	S	S	.	.			trans	-77.6	158.3	175.1	65.3	0	0	0	0	111.5	A127 M171 E184	S125-A127 PolarHBondContact O-N 2.92Å; S125-M171 VanDerWaalsContact CB-O 3.24Å; S125-M171 WeakPolarHBondContact CB-O 3.49Å; S125-E184 WeakPolarHBondContact CB-OE1 3.45Å; S125-E184 PolarHBondContact OG-OE1 2.97Å
126	D	70.3	Confident	79.9	Confident	51 Å²	51	74.6 Å²	74.6	27%	0.273	40%	0.401	S	S	.	.			trans	-72.2	119.5	-177.5	-67.2	-62.9	0	0	0	110.6	R117 L128	R117-D126 IonicContact CZ-OD1 2.6Å; R117-D126 IonicContact CZ-OD2 3.81Å; R117-D126 VanDerWaalsContact NH1-CG 3.29Å; R117-D126 IonicContact NH1-OD1 3.72Å; R117-D126 PolarHBondContact NH1-OD1 2.93Å; R117-D126 VanDerWaalsContact NH1-OD1 3.12Å; R117-D126 IonicContact NH1-OD2 3.78Å; R117-D126 PolarHBondContact NH1-OD2 2.79Å; R117-D126 IonicContact NH2-OD1 2.91Å; R117-D126 PolarHBondContact NH2-OD1 3.4Å; R117-D126 IonicContact NH2-OD2 3.6Å; D126-L128 PolarHBondContact O-N 3.02Å
127	A	73.5	Confident	79.6	Confident	99 Å²	99	76 Å²	76	82%	0.818	41%	0.411	S	S	*	.			trans	-66.8	98.7	-179.2	0	0	0	0	0	111.7	S125	S125-A127 PolarHBondContact O-N 2.92Å
128	L	81.4	Confident	79.6	Confident	18 Å²	18	78.9 Å²	78.9	9%	0.094	43%	0.426	C	S	.	.			trans	-73.6	129.9	-177.5	-54.5	-172.5	0	0	0	112	D126 F136 D168 E184 V186	D126-L128 PolarHBondContact O-N 3.02Å; L128-F136 HydrophobicContact CB-CE2 4.37Å; L128-F136 HydrophobicContact CD1-CE2 4.18Å; L128-D168 HydrophobicContact CD2-CB 4.36Å; L128-E184 HydrophobicContact CD1-CG 4.03Å; L128-E184 HydrophobicContact CG-CG 4.43Å; L128-V186 HydrophobicContact CB-CG2 4.07Å; L128-V186 HydrophobicContact CD1-CG2 4.13Å
129	L	80.2	Confident	79.4	Confident	147 Å²	147	82.5 Å²	82.5	77%	0.77	44%	0.443	S	S	*	.			trans	-80.9	132.9	168.9	-63.4	176	0	0	0	109.8	P131	L129-P131 WeakPolarHBondContact O-CD 3.36Å
130	V	83.3	Confident	79.3	Confident	61 Å²	61	85.3 Å²	85.3	37%	0.37	46%	0.455	S	S	.	.			trans	-109.6	106	-179.8	-169.9	0	0	0	0	108.7	C134 F136 V186	V130-C134 HydrophobicContact CG1-CB 4.24Å; V130-F136 HydrophobicContact CG2-CB 3.95Å; V130-F136 HydrophobicContact CG2-CD2 4.07Å; V130-F136 HydrophobicContact CG2-CG 4.39Å; V130-V186 HydrophobicContact CG1-CG1 4.25Å; V130-V186 HydrophobicContact CG2-CG2 3.98Å
131	P	79.6	Confident	79.2	Confident	50 Å²	50	87.2 Å²	87.2	33%	0.325	46%	0.456	S	S	.	.			trans	-71.7	163	175.9	-15.9	30.1	0	0	0	112.5	L129 C134	L129-P131 WeakPolarHBondContact O-CD 3.36Å; P131-C134 WeakPolarHBondContact O-CB 3.46Å; P131-C134 PolarHBondContact O-N 3.1Å; P131-C134 VanDerWaalsContact O-N 3.11Å; P131-C134 PolarHBondContact O-SG 2.73Å
132	D	66.1	Low	79.5	Confident	158 Å²	158	91.4 Å²	91.4	85%	0.845	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	143.7	177.2	-62.5	-52.1	0	0	0	112.6	C134	D132-C134 PolarHBondContact O-N 2.84Å
133	K	77.7	Confident	80.2	Confident	188 Å²	188	88.3 Å²	88.3	82%	0.817	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	2.6	-173.4	-49.5	-177.8	-178.5	-177.8	0	115.1	P189	K133-P189 HydrophobicContact CB-CG 4.24Å; K133-P189 WeakPolarHBondContact O-CD 3.05Å
134	C	86.3	Confident	80.9	Confident	19 Å²	19	89.3 Å²	89.3	13%	0.128	46%	0.464	C	S	.	.			trans	-89.8	158.4	172.6	-51.5	0	0	0	0	112.5	V130 P131 D132 V186 C187 C188	V130-C134 HydrophobicContact CG1-CB 4.24Å; P131-C134 WeakPolarHBondContact O-CB 3.46Å; P131-C134 PolarHBondContact O-N 3.1Å; P131-C134 VanDerWaalsContact O-N 3.11Å; P131-C134 PolarHBondContact O-SG 2.73Å; D132-C134 PolarHBondContact O-N 2.84Å; C134-V186 HydrophobicContact CB-CG1 3.75Å; C134-C187 CarbonylContact C-O 3.57Å; C134-C187 WeakPolarHBondContact CA-O 3.41Å; C134-C187 WeakPolarHBondContact CB-O 3.44Å; C134-C188 HydrophobicContact CB-CB 4.03Å; C134-C188 WeakPolarHBondContact CB-SG 3.04Å; C134-C188 VanDerWaalsContact SG-CA 3.54Å; C134-C188 WeakPolarHBondContact SG-CB 3.46Å; C134-C188 CovalentContact SG-SG 2.03Å; C134-C188 PolarHBondContact SG-SG 3.47Å
135	K	85.3	Confident	81.9	Confident	125 Å²	125	84.4 Å²	84.4	54%	0.543	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.7	177.5	-67	-177.1	176.1	-178.6	0	110.6	M164 V186 C187	K135-M164 HydrophobicContact CD-CE 4.1Å; K135-M164 HydrophobicContact CD-SD 4.25Å; K135-M164 HydrophobicContact CG-CE 4.32Å; K135-V186 CarbonylContact O-C 3.18Å; K135-V186 WeakPolarHBondContact O-CA 3.35Å; K135-C187 PolarHBondContact N-O 3.01Å; K135-C187 PolarHBondContact O-N 3.47Å
136	F	88.6	Confident	82.9	Confident	62 Å²	62	86.1 Å²	86.1	27%	0.272	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	136.1	166.7	-179.3	-93	0	0	0	110	L128 V130 E184 V186	L128-F136 HydrophobicContact CB-CE2 4.37Å; L128-F136 HydrophobicContact CD1-CE2 4.18Å; V130-F136 HydrophobicContact CG2-CB 3.95Å; V130-F136 HydrophobicContact CG2-CD2 4.07Å; V130-F136 HydrophobicContact CG2-CG 4.39Å; F136-E184 HydrophobicContact CE2-CB 4.17Å; F136-E184 HydrophobicContact CZ-CB 3.87Å; F136-E184 WeakPolarHBondContact CZ-OE2 3.39Å; F136-V186 HydrophobicContact CD2-CG2 4.08Å
137	L	86.4	Confident	83.6	Confident	74 Å²	74	85.9 Å²	85.9	39%	0.387	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	155.1	-177.5	-68.9	173	0	0	0	109.6	E184 F185	L137-E184 CarbonylContact O-C 3.37Å; L137-E184 WeakPolarHBondContact O-CA 3.47Å; L137-F185 HydrophobicContact CB-CD1 4.46Å; L137-F185 HydrophobicContact CB-CD2 4.02Å; L137-F185 HydrophobicContact CB-CE1 4.03Å; L137-F185 HydrophobicContact CB-CE2 3.55Å; L137-F185 HydrophobicContact CB-CG 4.45Å; L137-F185 HydrophobicContact CB-CZ 3.54Å; L137-F185 HydrophobicContact CD1-CE2 3.7Å; L137-F185 HydrophobicContact CD1-CZ 4.16Å; L137-F185 HydrophobicContact CG-CE2 4.27Å; L137-F185 PolarHBondContact N-O 2.95Å; L137-F185 WeakPolarHBondContact O-CD1 3.45Å; L137-F185 PolarHBondContact O-N 3.43Å
138	H	89.1	Confident	84.1	Confident	95 Å²	95	81.8 Å²	81.8	44%	0.44	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	158.6	171	70.5	-89.8	0	0	0	111.6	L172 V183 E184	H138-L172 HydrophobicContact CB-CD1 4.1Å; H138-V183 CarbonylContact C-O 3.45Å; H138-V183 VanDerWaalsContact CA-O 3.26Å; H138-V183 WeakPolarHBondContact CA-O 3.35Å; H138-E184 HydrophobicContact CB-CB 4.1Å
139	Q	86.6	Confident	84.3	Confident	78 Å²	78	86.5 Å²	86.5	36%	0.364	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	111.1	174.9	176	67.9	92.3	0	0	109.3	W151 V154 G182 V183	Q139-W151 HydrophobicContact CG-CZ3 4.13Å; Q139-W151 WeakPolarHBondContact O-CZ3 3.36Å; Q139-V154 HydrophobicContact CG-CG1 4.29Å; Q139-G182 CarbonylContact O-C 3.51Å; Q139-G182 WeakPolarHBondContact O-CA 3.3Å; Q139-V183 HydrophobicContact CB-CG1 4.37Å; Q139-V183 PolarHBondContact N-O 3.13Å; Q139-V183 PolarHBondContact O-N 3.15Å
140	E	85.7	Confident	84.7	Confident	82 Å²	82	82.8 Å²	82.8	38%	0.383	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	160.4	171	59.4	151.5	-142.4	0	0	112.9	R181	E140-R181 CarbonylContact C-O 3.54Å; E140-R181 WeakPolarHBondContact CA-O 3.03Å
141	R	83.3	Confident	85.1	Confident	101 Å²	101	79.9 Å²	79.9	38%	0.381	39%	0.391	S	S	.	.			trans	-152.9	106.1	169.7	-90.5	-156.8	-69.2	-134	-6.8	112.1	D143 K144 R181	R141-D143 WeakPolarHBondContact CB-OD1 3.07Å; R141-D143 WeakPolarHBondContact CD-OD1 3.45Å; R141-D143 PolarHBondContact O-N 3.21Å; R141-K144 HydrophobicContact CB-CB 4.31Å; R141-K144 HydrophobicContact CB-CG 4.25Å; R141-K144 PolarHBondContact O-N 2.76Å; R141-R181 PolarHBondContact N-O 3.09Å
142	M	83.4	Confident	85.4	Confident	113 Å²	113	80 Å²	80	56%	0.557	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.8	178.4	-69.9	-68.7	-176.6	0	0	114.7	K144 L173 R181	M142-K144 VanDerWaalsContact C-N 3.29Å; M142-L173 HydrophobicContact CE-CD1 3.58Å; M142-L173 HydrophobicContact SD-CD1 4.35Å; M142-R181 PolarHBondContact O-NH1 3.01Å
143	D	85.4	Confident	86.5	Confident	120 Å²	120	75 Å²	75	64%	0.642	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.9	174.4	68.9	-58.8	0	0	0	113.2	R141	R141-D143 WeakPolarHBondContact CB-OD1 3.07Å; R141-D143 WeakPolarHBondContact CD-OD1 3.45Å; R141-D143 PolarHBondContact O-N 3.21Å
144	K	87.4	Confident	87.1	Confident	69 Å²	69	67.1 Å²	67.1	30%	0.3	33%	0.33	S	S	.	.			trans	-116.4	162.3	-172.6	-52.1	-154.4	-178	-173.6	0	113.1	R141 M142 E146 R181	R141-K144 HydrophobicContact CB-CB 4.31Å; R141-K144 HydrophobicContact CB-CG 4.25Å; R141-K144 PolarHBondContact O-N 2.76Å; M142-K144 VanDerWaalsContact C-N 3.29Å; K144-E146 HydrophobicContact CB-CG 4.44Å; K144-R181 PolarHBondContact O-NH1 2.9Å
145	C	89.6	Confident	87.2	Confident	23 Å²	23	66.2 Å²	66.2	16%	0.155	32%	0.324	C	S	.	.			trans	-154.8	82.7	-177.6	-178.7	0	0	0	0	108.2	C175 R179 F180	C145-C175 WeakPolarHBondContact CA-SG 3.33Å; C145-C175 HydrophobicContact CB-CB 3.87Å; C145-C175 WeakPolarHBondContact CB-SG 3.26Å; C145-C175 WeakPolarHBondContact SG-CB 3.42Å; C145-C175 CovalentContact SG-SG 2.03Å; C145-C175 PolarHBondContact SG-SG 3.02Å; C145-R179 VanDerWaalsContact O-CZ 3.23Å; C145-R179 PolarHBondContact O-NE 3.03Å; C145-R179 PolarHBondContact O-NH2 3.05Å; C145-F180 WeakPolarHBondContact CA-O 3.46Å
146	E	92	Very high	87.4	Confident	75 Å²	75	66.5 Å²	66.5	35%	0.35	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	166.2	-170.5	-60.1	-65.6	174.7	0	0	111.5	K144 H150 R179 F180	K144-E146 HydrophobicContact CB-CG 4.44Å; E146-H150 HydrophobicContact CB-CB 3.92Å; E146-H150 WeakPolarHBondContact CB-CD2 3.13Å; E146-R179 CarbonylContact O-C 3.6Å; E146-R179 VanDerWaalsContact O-CA 3.28Å; E146-R179 WeakPolarHBondContact O-CA 3.45Å; E146-F180 PolarHBondContact N-O 3.48Å; E146-F180 PolarHBondContact O-N 2.77Å
147	S	85.8	Confident	87.4	Confident	47 Å²	47	70.3 Å²	70.3	33%	0.329	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	160.8	-176.9	61.8	0	0	0	0	113.2	L149 H150 W151	S147-L149 PolarHBondContact O-N 2.74Å; S147-H150 WeakPolarHBondContact O-CB 3.4Å; S147-H150 PolarHBondContact O-N 3.05Å; S147-W151 PolarHBondContact O-N 3.41Å
148	H	83.3	Confident	87.5	Confident	13 Å²	13	70.4 Å²	70.4	6%	0.06	34%	0.344	C	S	.	.	H	α-helix	trans	-47.2	-44.9	173.5	-165.5	-84.8	0	0	0	112.9	N90 H150 W151 H152 Y169 M171 D178	N90-H148 PolarHBondContact OD1-CE1 3.12Å; N90-H148 VanDerWaalsContact OD1-CE1 3.28Å; H148-H150 PolarHBondContact O-N 2.8Å; H148-W151 PolarHBondContact O-N 3.34Å; H148-H152 WeakPolarHBondContact O-CB 3.48Å; H148-H152 PolarHBondContact O-N 3.41Å; H148-Y169 AromaticContact CE1-CE2 3.67Å; H148-M171 WeakPolarHBondContact O-CE 3.44Å; H148-D178 WeakPolarHBondContact CB-OD1 3.23Å
149	L	85	Confident	87.4	Confident	116 Å²	116	66 Å²	66	61%	0.607	33%	0.325	S	S	*	.	H	α-helix	trans	-66	-34.4	179.5	-177.4	61.8	0	0	0	113.7	S147 T153	S147-L149 PolarHBondContact O-N 2.74Å; L149-T153 PolarHBondContact O-N 2.66Å; L149-T153 VanDerWaalsContact O-N 3.14Å; L149-T153 PolarHBondContact O-OG1 2.88Å
150	H	89.7	Confident	86.8	Confident	69 Å²	69	65 Å²	65	32%	0.319	33%	0.334	S	S	.	.	H	α-helix	trans	-64.6	-48.4	174.5	177.2	74	0	0	0	110.4	E146 S147 H148 T153 V154	E146-H150 HydrophobicContact CB-CB 3.92Å; E146-H150 WeakPolarHBondContact CB-CD2 3.13Å; S147-H150 WeakPolarHBondContact O-CB 3.4Å; S147-H150 PolarHBondContact O-N 3.05Å; H148-H150 PolarHBondContact O-N 2.8Å; H150-T153 WeakPolarHBondContact O-CA 3.44Å; H150-T153 WeakPolarHBondContact O-CB 3.29Å; H150-T153 PolarHBondContact O-N 2.96Å; H150-T153 VanDerWaalsContact O-N 3.08Å; H150-V154 WeakPolarHBondContact O-CG2 3.5Å; H150-V154 PolarHBondContact O-N 3.19Å
151	W	90.3	Very high	85.7	Confident	1 Å²	1	67 Å²	67	0%	0.004	35%	0.348	C	S	.	.	H	α-helix	trans	-67.1	-40.1	-177.7	-77.5	123.3	0	0	0	113.3	Q139 S147 H148 T153 V154 A155 M171 F180 R181 V183	Q139-W151 HydrophobicContact CG-CZ3 4.13Å; Q139-W151 WeakPolarHBondContact O-CZ3 3.36Å; S147-W151 PolarHBondContact O-N 3.41Å; H148-W151 PolarHBondContact O-N 3.34Å; W151-T153 VanDerWaalsContact C-N 3.28Å; W151-T153 PolarHBondContact O-N 3.28Å; W151-V154 HydrophobicContact CE3-CB 4.28Å; W151-V154 HydrophobicContact CE3-CG1 4.36Å; W151-V154 HydrophobicContact CE3-CG2 4.41Å; W151-V154 HydrophobicContact CZ3-CG1 4.4Å; W151-V154 PolarHBondContact O-N 3.31Å; W151-A155 PolarHBondContact O-N 2.82Å; W151-M171 HydrophobicContact CB-CE 3.63Å; W151-M171 HydrophobicContact CB-SD 3.53Å; W151-M171 VanDerWaalsContact CB-SD 3.53Å; W151-M171 HydrophobicContact CG-SD 4.14Å; W151-F180 PolarHBondContact NE1-O 2.87Å; W151-R181 WeakPolarHBondContact CH2-O 3.49Å; W151-R181 WeakPolarHBondContact CZ2-O 3Å; W151-V183 HydrophobicContact CB-CB 3.97Å; W151-V183 HydrophobicContact CB-CG2 4.24Å; W151-V183 HydrophobicContact CD2-CB 4.38Å; W151-V183 HydrophobicContact CE3-CB 3.98Å; W151-V183 HydrophobicContact CE3-CG1 3.74Å; W151-V183 HydrophobicContact CG-CB 4.41Å; W151-V183 HydrophobicContact CZ3-CG1 4.39Å
152	H	86.7	Confident	84.5	Confident	51 Å²	51	74.1 Å²	74.1	24%	0.236	38%	0.375	C	S	.	.	H	α-helix	trans	-57.8	-39.6	167.9	169.4	-129.2	0	0	0	112.3	H148 A155 K156 Y169	H148-H152 WeakPolarHBondContact O-CB 3.48Å; H148-H152 PolarHBondContact O-N 3.41Å; H152-A155 PolarHBondContact O-N 2.87Å; H152-K156 WeakPolarHBondContact O-CB 3.4Å; H152-K156 PolarHBondContact O-N 2.88Å; H152-Y169 HydrophobicContact CB-CD2 4.28Å; H152-Y169 HydrophobicContact CB-CE2 3.62Å; H152-Y169 AromaticContact CD2-CD1 3.84Å; H152-Y169 AromaticContact CD2-CE1 3.31Å; H152-Y169 WeakPolarHBondContact CD2-CE1 3.44Å; H152-Y169 AromaticContact CD2-CZ 3.41Å; H152-Y169 VanDerWaalsContact CD2-CZ 3.41Å; H152-Y169 AromaticContact CG-CZ 3.61Å; H152-Y169 AromaticContact NE2-CE1 3.93Å
153	T	88.6	Confident	83.9	Confident	55 Å²	55	73 Å²	73	34%	0.337	37%	0.374	S	S	.	.	H	α-helix	trans	-64.9	-43.5	176.8	-52.5	0	0	0	0	110.8	L149 H150 W151 K156 E157	L149-T153 PolarHBondContact O-N 2.66Å; L149-T153 VanDerWaalsContact O-N 3.14Å; L149-T153 PolarHBondContact O-OG1 2.88Å; H150-T153 WeakPolarHBondContact O-CA 3.44Å; H150-T153 WeakPolarHBondContact O-CB 3.29Å; H150-T153 PolarHBondContact O-N 2.96Å; H150-T153 VanDerWaalsContact O-N 3.08Å; W151-T153 VanDerWaalsContact C-N 3.28Å; W151-T153 PolarHBondContact O-N 3.28Å; T153-K156 PolarHBondContact O-N 2.92Å; T153-E157 HydrophobicContact CG2-CG 4.34Å; T153-E157 WeakPolarHBondContact O-CB 3.04Å; T153-E157 WeakPolarHBondContact O-CG 3.38Å; T153-E157 PolarHBondContact O-N 3.33Å
154	V	90.4	Very high	83.8	Confident	22 Å²	22	69.3 Å²	69.3	13%	0.133	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-47.7	175.6	171.3	0	0	0	0	111.7	Q139 H150 W151 K156 E157 N158 V183	Q139-V154 HydrophobicContact CG-CG1 4.29Å; H150-V154 WeakPolarHBondContact O-CG2 3.5Å; H150-V154 PolarHBondContact O-N 3.19Å; W151-V154 HydrophobicContact CE3-CB 4.28Å; W151-V154 HydrophobicContact CE3-CG1 4.36Å; W151-V154 HydrophobicContact CE3-CG2 4.41Å; W151-V154 HydrophobicContact CZ3-CG1 4.4Å; W151-V154 PolarHBondContact O-N 3.31Å; V154-K156 VanDerWaalsContact C-N 3.31Å; V154-K156 PolarHBondContact O-N 2.96Å; V154-E157 PolarHBondContact O-N 2.04Å; V154-N158 WeakPolarHBondContact O-CB 3.32Å; V154-N158 PolarHBondContact O-N 2.85Å; V154-N158 PolarHBondContact O-ND2 2.85Å; V154-V183 HydrophobicContact CG1-CG1 4.37Å
155	A	89.6	Confident	83.8	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-57.9	-43.3	175.3	0	0	0	0	0	112	W151 H152 N158 C159 L166 V183 F185	W151-A155 PolarHBondContact O-N 2.82Å; H152-A155 PolarHBondContact O-N 2.87Å; A155-N158 PolarHBondContact O-N 2.88Å; A155-C159 PolarHBondContact O-N 2.83Å; A155-C159 PolarHBondContact O-SG 2.03Å; A155-L166 HydrophobicContact CB-CD1 4.12Å; A155-L166 HydrophobicContact CB-CD2 4.31Å; A155-V183 HydrophobicContact CB-CG1 4.26Å; A155-V183 HydrophobicContact CB-CG2 3.96Å; A155-F185 HydrophobicContact CB-CB 3.66Å; A155-F185 HydrophobicContact CB-CD1 3.77Å; A155-F185 HydrophobicContact CB-CD2 4.08Å; A155-F185 HydrophobicContact CB-CE1 4.44Å; A155-F185 HydrophobicContact CB-CG 3.58Å
156	K	88.9	Confident	83.7	Confident	131 Å²	131	71.5 Å²	71.5	57%	0.57	37%	0.367	S	S	*	.	H	α-helix	trans	-69.5	-38.3	179.8	-174.7	168.1	-178.1	165.4	0	113.5	H152 T153 V154 G160 L166	H152-K156 WeakPolarHBondContact O-CB 3.4Å; H152-K156 PolarHBondContact O-N 2.88Å; T153-K156 PolarHBondContact O-N 2.92Å; V154-K156 VanDerWaalsContact C-N 3.31Å; V154-K156 PolarHBondContact O-N 2.96Å; K156-G160 PolarHBondContact O-N 2.81Å; K156-L166 HydrophobicContact CB-CD2 3.94Å
157	E	89.3	Confident	83.5	Confident	141 Å²	141	73 Å²	73	66%	0.659	37%	0.374	S	S	*	.	H	α-helix	trans	-69.4	-38.4	175.5	-73.7	177.9	169.8	0	0	111	T153 V154 G160	T153-E157 HydrophobicContact CG2-CG 4.34Å; T153-E157 WeakPolarHBondContact O-CB 3.04Å; T153-E157 WeakPolarHBondContact O-CG 3.38Å; T153-E157 PolarHBondContact O-N 3.33Å; V154-E157 PolarHBondContact O-N 2.04Å; E157-G160 WeakPolarHBondContact O-CA 3.33Å; E157-G160 PolarHBondContact O-N 2.82Å
158	N	88.1	Confident	83.5	Confident	76 Å²	76	73.6 Å²	73.6	41%	0.406	37%	0.374	S	S	.	.	H	α-helix	trans	-68.1	-31.8	176.1	-72.9	-18.8	0	0	0	113.6	V154 A155 G160 F185	V154-N158 WeakPolarHBondContact O-CB 3.32Å; V154-N158 PolarHBondContact O-N 2.85Å; V154-N158 PolarHBondContact O-ND2 2.85Å; A155-N158 PolarHBondContact O-N 2.88Å; N158-G160 PolarHBondContact O-N 2.93Å; N158-F185 HydrophobicContact CB-CE2 3.56Å; N158-F185 HydrophobicContact CB-CZ 3.48Å; N158-F185 VanDerWaalsContact CB-CZ 3.48Å; N158-F185 WeakPolarHBondContact ND2-CZ 3.26Å
159	C	87.1	Confident	83.8	Confident	4 Å²	4	74 Å²	74	3%	0.027	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-3	168.2	-63.4	0	0	0	0	113.7	A155 D161 M164 L166 C187	A155-C159 PolarHBondContact O-N 2.83Å; A155-C159 PolarHBondContact O-SG 2.03Å; C159-D161 PolarHBondContact O-N 2.63Å; C159-D161 VanDerWaalsContact O-N 3.09Å; C159-M164 CarbonylContact O-C 3.55Å; C159-L166 HydrophobicContact CB-CB 4.13Å; C159-C187 WeakPolarHBondContact CA-SG 3.41Å; C159-C187 HydrophobicContact CB-CB 3.8Å; C159-C187 WeakPolarHBondContact CB-SG 3.43Å; C159-C187 VanDerWaalsContact SG-CA 3.53Å; C159-C187 WeakPolarHBondContact SG-CB 3.47Å; C159-C187 CovalentContact SG-SG 2.04Å; C159-C187 PolarHBondContact SG-SG 3.32Å
160	G	73.3	Confident	83.8	Confident	55 Å²	55	68.6 Å²	68.6	57%	0.567	35%	0.346	S	S	*	.			trans	-75.3	7.9	-165.5	0	0	0	0	0	116.6	K156 E157 N158	K156-G160 PolarHBondContact O-N 2.81Å; E157-G160 WeakPolarHBondContact O-CA 3.33Å; E157-G160 PolarHBondContact O-N 2.82Å; N158-G160 PolarHBondContact O-N 2.93Å
161	D	62.3	Low	83.7	Confident	125 Å²	125	65.5 Å²	65.5	67%	0.668	33%	0.332	S	S	*	.	S	Bend	trans	-65.7	147.2	170.9	-86.8	-35.4	0	0	0	111.4	C159 T163 M164	C159-D161 PolarHBondContact O-N 2.63Å; C159-D161 VanDerWaalsContact O-N 3.09Å; D161-T163 PolarHBondContact O-N 2.96Å; D161-M164 PolarHBondContact O-N 2.96Å
162	R	58.1	Low	83.5	Confident	251 Å²	251	66.8 Å²	66.8	95%	0.947	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-0	-162.7	-62.2	180	65.9	-163.8	-1.8	116.2
163	T	70.6	Confident	83.3	Confident	89 Å²	89	68.1 Å²	68.1	55%	0.546	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-15.6	178.9	51.2	0	0	0	0	113.5	D161 P189 S190	D161-T163 PolarHBondContact O-N 2.96Å; T163-P189 WeakPolarHBondContact O-CA 3.1Å; T163-S190 PolarHBondContact O-N 3.27Å
164	M	83	Confident	83	Confident	43 Å²	43	68.2 Å²	68.2	21%	0.212	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	162.8	-171.8	-68.6	-171.8	168.4	0	0	113.1	K135 C159 D161 C187 C188	K135-M164 HydrophobicContact CD-CE 4.1Å; K135-M164 HydrophobicContact CD-SD 4.25Å; K135-M164 HydrophobicContact CG-CE 4.32Å; C159-M164 CarbonylContact O-C 3.55Å; D161-M164 PolarHBondContact O-N 2.96Å; M164-C187 HydrophobicContact CB-CB 4.31Å; M164-C187 HydrophobicContact SD-CB 4.18Å; M164-C188 CarbonylContact C-O 3.55Å; M164-C188 VanDerWaalsContact CA-O 3.26Å; M164-C188 WeakPolarHBondContact CA-O 3.32Å
165	N	87.8	Confident	82.7	Confident	96 Å²	96	69.1 Å²	69.1	51%	0.513	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	150.7	174.7	-77.3	-69.1	0	0	0	110	H167 C187 C188 S190	N165-H167 PolarHBondContact O-N 3.02Å; N165-C187 CarbonylContact O-C 3.5Å; N165-C187 VanDerWaalsContact O-CA 3.32Å; N165-C187 WeakPolarHBondContact O-CA 3.32Å; N165-C188 PolarHBondContact N-O 2.83Å; N165-C188 PolarHBondContact O-N 3.04Å; N165-S190 WeakPolarHBondContact ND2-CB 3.32Å
166	L	88.6	Confident	82.4	Confident	41 Å²	41	70.6 Å²	70.6	22%	0.215	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	121.8	169	-178.4	66.6	0	0	0	110.1	A155 K156 C159 D168 Y169 F185	A155-L166 HydrophobicContact CB-CD1 4.12Å; A155-L166 HydrophobicContact CB-CD2 4.31Å; K156-L166 HydrophobicContact CB-CD2 3.94Å; C159-L166 HydrophobicContact CB-CB 4.13Å; L166-D168 WeakPolarHBondContact CD1-O 3.05Å; L166-Y169 HydrophobicContact CD2-CD1 4.01Å; L166-F185 HydrophobicContact CD1-CB 3.73Å; L166-F185 HydrophobicContact CD1-CD2 4.32Å; L166-F185 HydrophobicContact CD1-CG 4.45Å
167	H	86.7	Confident	82	Confident	107 Å²	107	67 Å²	67	50%	0.495	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-52.2	178.1	-179.1	-86.6	0	0	0	111.4	N165 V186 C188	N165-H167 PolarHBondContact O-N 3.02Å; H167-V186 HydrophobicContact CB-CB 4.33Å; H167-V186 HydrophobicContact CB-CG1 4.18Å; H167-V186 WeakPolarHBondContact CB-O 3.39Å; H167-V186 PolarHBondContact N-O 3.12Å; H167-C188 HydrophobicContact CB-CB 4.15Å; H167-C188 VanDerWaalsContact CB-SG 3.53Å; H167-C188 VanDerWaalsContact CD2-SG 3.55Å; H167-C188 VanDerWaalsContact CG-SG 3.58Å
168	D	86.1	Confident	81.4	Confident	60 Å²	60	60.4 Å²	60.4	32%	0.321	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	163.3	177.5	-154	-2.4	0	0	0	111.6	L128 L166 F185 V186	L128-D168 HydrophobicContact CD2-CB 4.36Å; L166-D168 WeakPolarHBondContact CD1-O 3.05Å; D168-F185 WeakPolarHBondContact O-CA 3.25Å; D168-V186 PolarHBondContact O-N 2.94Å
169	Y	89.5	Confident	81.3	Confident	22 Å²	22	62.6 Å²	62.6	9%	0.086	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	145.6	179.7	70.4	-78.3	0	0	0	114.4	N90 H148 H152 L166 M171 V183 E184	N90-Y169 HydrophobicContact CB-CE1 4.37Å; N90-Y169 PolarHBondContact ND2-O 2.77Å; N90-Y169 PolarHBondContact OD1-OH 3.36Å; H148-Y169 AromaticContact CE1-CE2 3.67Å; H152-Y169 HydrophobicContact CB-CD2 4.28Å; H152-Y169 HydrophobicContact CB-CE2 3.62Å; H152-Y169 AromaticContact CD2-CD1 3.84Å; H152-Y169 AromaticContact CD2-CE1 3.31Å; H152-Y169 WeakPolarHBondContact CD2-CE1 3.44Å; H152-Y169 AromaticContact CD2-CZ 3.41Å; H152-Y169 VanDerWaalsContact CD2-CZ 3.41Å; H152-Y169 AromaticContact CG-CZ 3.61Å; H152-Y169 AromaticContact NE2-CE1 3.93Å; L166-Y169 HydrophobicContact CD2-CD1 4.01Å; Y169-M171 HydrophobicContact CD2-CE 3.75Å; Y169-M171 HydrophobicContact CE2-CE 3.62Å; Y169-V183 HydrophobicContact CD2-CG2 4.31Å; Y169-E184 CarbonylContact C-O 3.57Å; Y169-E184 VanDerWaalsContact CA-O 3.23Å; Y169-E184 WeakPolarHBondContact CA-O 3.03Å; Y169-E184 WeakPolarHBondContact CB-O 3.37Å
170	G	86.4	Confident	81.4	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	163	177.6	0	0	0	0	0	111.7	V183 E184	G170-V183 WeakPolarHBondContact O-CA 3.38Å; G170-V183 VanDerWaalsContact O-CG2 3.26Å; G170-V183 WeakPolarHBondContact O-CG2 3.21Å; G170-E184 PolarHBondContact N-O 3.35Å; G170-E184 PolarHBondContact O-N 3.44Å
171	M	86.2	Confident	82.2	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.02	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135	-176.8	-69.9	-69.6	147.3	0	0	112	F123 S125 H148 W151 Y169 F180 V183	F123-M171 VanDerWaalsContact CE1-O 3.3Å; F123-M171 WeakPolarHBondContact CE1-O 3.46Å; F123-M171 HydrophobicContact CZ-CB 4.26Å; F123-M171 VanDerWaalsContact CZ-O 3.29Å; F123-M171 WeakPolarHBondContact CZ-O 3.44Å; S125-M171 VanDerWaalsContact CB-O 3.24Å; S125-M171 WeakPolarHBondContact CB-O 3.49Å; H148-M171 WeakPolarHBondContact O-CE 3.44Å; W151-M171 HydrophobicContact CB-CE 3.63Å; W151-M171 HydrophobicContact CB-SD 3.53Å; W151-M171 VanDerWaalsContact CB-SD 3.53Å; W151-M171 HydrophobicContact CG-SD 4.14Å; Y169-M171 HydrophobicContact CD2-CE 3.75Å; Y169-M171 HydrophobicContact CE2-CE 3.62Å; M171-F180 HydrophobicContact CB-CB 4.32Å; M171-F180 HydrophobicContact CB-CD1 3.68Å; M171-F180 HydrophobicContact CB-CD2 3.92Å; M171-F180 HydrophobicContact CB-CE1 3.99Å; M171-F180 HydrophobicContact CB-CE2 4.22Å; M171-F180 HydrophobicContact CB-CG 3.66Å; M171-F180 HydrophobicContact CB-CZ 4.26Å; M171-F180 HydrophobicContact CG-CD1 4.43Å; M171-F180 HydrophobicContact CG-CD2 3.76Å; M171-F180 HydrophobicContact CG-CE2 4.02Å; M171-F180 HydrophobicContact CG-CG 4Å; M171-F180 HydrophobicContact CG-CZ 4.47Å; M171-F180 HydrophobicContact SD-CB 4.16Å; M171-F180 HydrophobicContact SD-CD2 3.72Å; M171-F180 HydrophobicContact SD-CE2 4.48Å; M171-F180 HydrophobicContact SD-CG 4Å; M171-V183 HydrophobicContact CE-CG2 4.16Å
172	L	86.1	Confident	83.6	Confident	29 Å²	29	57.4 Å²	57.4	15%	0.152	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.9	-179.6	-60.5	175.5	0	0	0	112.1	H138 R181 G182 E184	H138-L172 HydrophobicContact CB-CD1 4.1Å; L172-R181 PolarHBondContact O-N 3.37Å; L172-G182 PolarHBondContact N-O 3.43Å; L172-G182 PolarHBondContact O-N 2.8Å; L172-G182 VanDerWaalsContact O-N 3.1Å; L172-E184 HydrophobicContact CD1-CB 4.31Å; L172-E184 HydrophobicContact CD2-CB 4.28Å; L172-E184 HydrophobicContact CD2-CG 4.1Å; L172-E184 WeakPolarHBondContact CD2-OE1 3.3Å; L172-E184 HydrophobicContact CG-CB 4.31Å; L172-E184 HydrophobicContact CG-CG 4.4Å
173	L	82.3	Confident	85.2	Confident	79 Å²	79	45.5 Å²	45.5	41%	0.414	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	49.9	100.6	171.1	-65.7	172.7	0	0	0	114.7	M142 R181	M142-L173 HydrophobicContact CE-CD1 3.58Å; M142-L173 HydrophobicContact SD-CD1 4.35Å; L173-R181 HydrophobicContact CB-CB 4.1Å; L173-R181 HydrophobicContact CB-CG 4.29Å; L173-R181 WeakPolarHBondContact O-CG 3.24Å; L173-R181 PolarHBondContact O-N 3.43Å
174	P	83.1	Confident	86.2	Confident	56 Å²	56	42.4 Å²	42.4	36%	0.364	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	138.2	178.2	30.9	-36.6	0	0	0	111	F123 R179 F180	F123-P174 HydrophobicContact CB-CG 3.66Å; F123-P174 HydrophobicContact CD1-CG 4.09Å; F123-P174 HydrophobicContact CD2-CB 4.5Å; F123-P174 HydrophobicContact CD2-CG 4.3Å; F123-P174 HydrophobicContact CG-CB 4.41Å; F123-P174 HydrophobicContact CG-CG 3.76Å; P174-R179 WeakPolarHBondContact CA-O 3.44Å; P174-F180 HydrophobicContact CB-CD1 4.28Å; P174-F180 HydrophobicContact CB-CE1 4.03Å
175	C	84.1	Confident	86.6	Confident	42 Å²	42	40.5 Å²	40.5	28%	0.284	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-0.3	176.3	61.1	0	0	0	0	112.5	C145 R179 F180 R181	C145-C175 WeakPolarHBondContact CA-SG 3.33Å; C145-C175 HydrophobicContact CB-CB 3.87Å; C145-C175 WeakPolarHBondContact CB-SG 3.26Å; C145-C175 WeakPolarHBondContact SG-CB 3.42Å; C145-C175 CovalentContact SG-SG 2.03Å; C145-C175 PolarHBondContact SG-SG 3.02Å; C175-R179 PolarHBondContact N-O 2.95Å; C175-R179 PolarHBondContact SG-O 2.96Å; C175-R179 VanDerWaalsContact SG-O 3.34Å; C175-F180 PolarHBondContact SG-N 3.16Å; C175-R181 HydrophobicContact CB-CG 3.85Å
176	G	82.3	Confident	86.8	Confident	30 Å²	30	36 Å²	36	31%	0.309	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	-177.2	173.6	0	0	0	0	0	111.5	N85 D178 R179	N85-G176 PolarHBondContact ND2-O 3.11Å; G176-D178 PolarHBondContact O-N 3.19Å; G176-R179 PolarHBondContact N-O 3.45Å; G176-R179 PolarHBondContact O-N 3.34Å
177	I	80.7	Confident	86.9	Confident	55 Å²	55	34.1 Å²	34.1	28%	0.282	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	120.6	175.2	-56.6	171.1	0	0	0	108.5	K67 E68 L71 N85 V86 R179	K67-I177 HydrophobicContact CB-CG2 3.78Å; E68-I177 HydrophobicContact CG-CD1 4.03Å; L71-I177 HydrophobicContact CD2-CD1 4.16Å; N85-I177 WeakPolarHBondContact OD1-CA 3.26Å; V86-I177 HydrophobicContact CG2-CG2 3.82Å; I177-R179 PolarHBondContact O-N 3.41Å
178	D	78.1	Confident	87.1	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.021	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	39.2	-169.9	-166.8	67.2	0	0	0	114.4	K67 V87 H148 G176	K67-D178 HydrophobicContact CD-CB 3.72Å; K67-D178 IonicContact NZ-OD2 3.07Å; K67-D178 PolarHBondContact NZ-OD2 3.03Å; V87-D178 WeakPolarHBondContact CA-OD1 3.35Å; H148-D178 WeakPolarHBondContact CB-OD1 3.23Å; G176-D178 PolarHBondContact O-N 3.19Å
179	R	85.4	Confident	87.1	Confident	122 Å²	122	28.9 Å²	28.9	46%	0.46	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	135.9	176.2	-63.8	176.1	72.8	179.4	6.1	112.3	C145 E146 P174 C175 G176 I177	C145-R179 VanDerWaalsContact O-CZ 3.23Å; C145-R179 PolarHBondContact O-NE 3.03Å; C145-R179 PolarHBondContact O-NH2 3.05Å; E146-R179 CarbonylContact O-C 3.6Å; E146-R179 VanDerWaalsContact O-CA 3.28Å; E146-R179 WeakPolarHBondContact O-CA 3.45Å; P174-R179 WeakPolarHBondContact CA-O 3.44Å; C175-R179 PolarHBondContact N-O 2.95Å; C175-R179 PolarHBondContact SG-O 2.96Å; C175-R179 VanDerWaalsContact SG-O 3.34Å; G176-R179 PolarHBondContact N-O 3.45Å; G176-R179 PolarHBondContact O-N 3.34Å; I177-R179 PolarHBondContact O-N 3.41Å
180	F	89.4	Confident	86.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	160.9	-168	-59.5	-74.1	0	0	0	111.9	V87 F123 C145 E146 W151 M171 P174 C175	V87-F180 HydrophobicContact CG1-CE2 4Å; V87-F180 HydrophobicContact CG1-CZ 3.53Å; F123-F180 HydrophobicContact CD2-CE1 4.29Å; F123-F180 HydrophobicContact CE2-CD1 4.49Å; F123-F180 AromaticContact CE2-CE1 3.56Å; F123-F180 HydrophobicContact CE2-CE1 3.56Å; F123-F180 HydrophobicContact CE2-CZ 4.19Å; F123-F180 HydrophobicContact CZ-CD1 4.27Å; F123-F180 AromaticContact CZ-CE1 3.75Å; F123-F180 HydrophobicContact CZ-CE1 3.75Å; C145-F180 WeakPolarHBondContact CA-O 3.46Å; E146-F180 PolarHBondContact N-O 3.48Å; E146-F180 PolarHBondContact O-N 2.77Å; W151-F180 PolarHBondContact NE1-O 2.87Å; M171-F180 HydrophobicContact CB-CB 4.32Å; M171-F180 HydrophobicContact CB-CD1 3.68Å; M171-F180 HydrophobicContact CB-CD2 3.92Å; M171-F180 HydrophobicContact CB-CE1 3.99Å; M171-F180 HydrophobicContact CB-CE2 4.22Å; M171-F180 HydrophobicContact CB-CG 3.66Å; M171-F180 HydrophobicContact CB-CZ 4.26Å; M171-F180 HydrophobicContact CG-CD1 4.43Å; M171-F180 HydrophobicContact CG-CD2 3.76Å; M171-F180 HydrophobicContact CG-CE2 4.02Å; M171-F180 HydrophobicContact CG-CG 4Å; M171-F180 HydrophobicContact CG-CZ 4.47Å; M171-F180 HydrophobicContact SD-CB 4.16Å; M171-F180 HydrophobicContact SD-CD2 3.72Å; M171-F180 HydrophobicContact SD-CE2 4.48Å; M171-F180 HydrophobicContact SD-CG 4Å; P174-F180 HydrophobicContact CB-CD1 4.28Å; P174-F180 HydrophobicContact CB-CE1 4.03Å; C175-F180 PolarHBondContact SG-N 3.16Å
181	R	90.3	Very high	85.2	Confident	75 Å²	75	36.7 Å²	36.7	28%	0.283	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-13.4	178.9	-57.8	-173.7	167.3	-81.3	21.3	113.4	E140 R141 M142 K144 W151 L172 L173 C175	E140-R181 CarbonylContact C-O 3.54Å; E140-R181 WeakPolarHBondContact CA-O 3.03Å; R141-R181 PolarHBondContact N-O 3.09Å; M142-R181 PolarHBondContact O-NH1 3.01Å; K144-R181 PolarHBondContact O-NH1 2.9Å; W151-R181 WeakPolarHBondContact CH2-O 3.49Å; W151-R181 WeakPolarHBondContact CZ2-O 3Å; L172-R181 PolarHBondContact O-N 3.37Å; L173-R181 HydrophobicContact CB-CB 4.1Å; L173-R181 HydrophobicContact CB-CG 4.29Å; L173-R181 WeakPolarHBondContact O-CG 3.24Å; L173-R181 PolarHBondContact O-N 3.43Å; C175-R181 HydrophobicContact CB-CG 3.85Å
182	G	90.1	Very high	83.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	-175.9	175.3	0	0	0	0	0	113.5	Q139 L172	Q139-G182 CarbonylContact O-C 3.51Å; Q139-G182 WeakPolarHBondContact O-CA 3.3Å; L172-G182 PolarHBondContact N-O 3.43Å; L172-G182 PolarHBondContact O-N 2.8Å; L172-G182 VanDerWaalsContact O-N 3.1Å
183	V	91.9	Very high	82.2	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	141.5	178.2	68.8	0	0	0	0	109.4	H138 Q139 W151 V154 A155 Y169 G170 M171 F185	H138-V183 CarbonylContact C-O 3.45Å; H138-V183 VanDerWaalsContact CA-O 3.26Å; H138-V183 WeakPolarHBondContact CA-O 3.35Å; Q139-V183 HydrophobicContact CB-CG1 4.37Å; Q139-V183 PolarHBondContact N-O 3.13Å; Q139-V183 PolarHBondContact O-N 3.15Å; W151-V183 HydrophobicContact CB-CB 3.97Å; W151-V183 HydrophobicContact CB-CG2 4.24Å; W151-V183 HydrophobicContact CD2-CB 4.38Å; W151-V183 HydrophobicContact CE3-CB 3.98Å; W151-V183 HydrophobicContact CE3-CG1 3.74Å; W151-V183 HydrophobicContact CG-CB 4.41Å; W151-V183 HydrophobicContact CZ3-CG1 4.39Å; V154-V183 HydrophobicContact CG1-CG1 4.37Å; A155-V183 HydrophobicContact CB-CG1 4.26Å; A155-V183 HydrophobicContact CB-CG2 3.96Å; Y169-V183 HydrophobicContact CD2-CG2 4.31Å; G170-V183 WeakPolarHBondContact O-CA 3.38Å; G170-V183 VanDerWaalsContact O-CG2 3.26Å; G170-V183 WeakPolarHBondContact O-CG2 3.21Å; M171-V183 HydrophobicContact CE-CG2 4.16Å; V183-F185 HydrophobicContact CG1-CD1 3.9Å; V183-F185 HydrophobicContact CG1-CE1 4.06Å
184	E	92.2	Very high	80.6	Confident	25 Å²	25	51.7 Å²	51.7	12%	0.117	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	144.7	167.2	61.1	-167.8	148.9	0	0	108.7	S125 L128 F136 L137 H138 Y169 G170 L172	S125-E184 WeakPolarHBondContact CB-OE1 3.45Å; S125-E184 PolarHBondContact OG-OE1 2.97Å; L128-E184 HydrophobicContact CD1-CG 4.03Å; L128-E184 HydrophobicContact CG-CG 4.43Å; F136-E184 HydrophobicContact CE2-CB 4.17Å; F136-E184 HydrophobicContact CZ-CB 3.87Å; F136-E184 WeakPolarHBondContact CZ-OE2 3.39Å; L137-E184 CarbonylContact O-C 3.37Å; L137-E184 WeakPolarHBondContact O-CA 3.47Å; H138-E184 HydrophobicContact CB-CB 4.1Å; Y169-E184 CarbonylContact C-O 3.57Å; Y169-E184 VanDerWaalsContact CA-O 3.23Å; Y169-E184 WeakPolarHBondContact CA-O 3.03Å; Y169-E184 WeakPolarHBondContact CB-O 3.37Å; G170-E184 PolarHBondContact N-O 3.35Å; G170-E184 PolarHBondContact O-N 3.44Å; L172-E184 HydrophobicContact CD1-CB 4.31Å; L172-E184 HydrophobicContact CD2-CB 4.28Å; L172-E184 HydrophobicContact CD2-CG 4.1Å; L172-E184 WeakPolarHBondContact CD2-OE1 3.3Å; L172-E184 HydrophobicContact CG-CB 4.31Å; L172-E184 HydrophobicContact CG-CG 4.4Å
185	F	92.1	Very high	78.5	Confident	3 Å²	3	52.1 Å²	52.1	1%	0.013	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	152.4	-168.5	56.6	-80.7	0	0	0	113.5	L137 A155 N158 L166 D168 V183	L137-F185 HydrophobicContact CB-CD1 4.46Å; L137-F185 HydrophobicContact CB-CD2 4.02Å; L137-F185 HydrophobicContact CB-CE1 4.03Å; L137-F185 HydrophobicContact CB-CE2 3.55Å; L137-F185 HydrophobicContact CB-CG 4.45Å; L137-F185 HydrophobicContact CB-CZ 3.54Å; L137-F185 HydrophobicContact CD1-CE2 3.7Å; L137-F185 HydrophobicContact CD1-CZ 4.16Å; L137-F185 HydrophobicContact CG-CE2 4.27Å; L137-F185 PolarHBondContact N-O 2.95Å; L137-F185 WeakPolarHBondContact O-CD1 3.45Å; L137-F185 PolarHBondContact O-N 3.43Å; A155-F185 HydrophobicContact CB-CB 3.66Å; A155-F185 HydrophobicContact CB-CD1 3.77Å; A155-F185 HydrophobicContact CB-CD2 4.08Å; A155-F185 HydrophobicContact CB-CE1 4.44Å; A155-F185 HydrophobicContact CB-CG 3.58Å; N158-F185 HydrophobicContact CB-CE2 3.56Å; N158-F185 HydrophobicContact CB-CZ 3.48Å; N158-F185 VanDerWaalsContact CB-CZ 3.48Å; N158-F185 WeakPolarHBondContact ND2-CZ 3.26Å; L166-F185 HydrophobicContact CD1-CB 3.73Å; L166-F185 HydrophobicContact CD1-CD2 4.32Å; L166-F185 HydrophobicContact CD1-CG 4.45Å; D168-F185 WeakPolarHBondContact O-CA 3.25Å; V183-F185 HydrophobicContact CG1-CD1 3.9Å; V183-F185 HydrophobicContact CG1-CE1 4.06Å
186	V	91.1	Very high	76.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.7	179.4	-179.5	0	0	0	0	109.7	L128 V130 C134 K135 F136 H167 D168	L128-V186 HydrophobicContact CB-CG2 4.07Å; L128-V186 HydrophobicContact CD1-CG2 4.13Å; V130-V186 HydrophobicContact CG1-CG1 4.25Å; V130-V186 HydrophobicContact CG2-CG2 3.98Å; C134-V186 HydrophobicContact CB-CG1 3.75Å; K135-V186 CarbonylContact O-C 3.18Å; K135-V186 WeakPolarHBondContact O-CA 3.35Å; F136-V186 HydrophobicContact CD2-CG2 4.08Å; H167-V186 HydrophobicContact CB-CB 4.33Å; H167-V186 HydrophobicContact CB-CG1 4.18Å; H167-V186 WeakPolarHBondContact CB-O 3.39Å; H167-V186 PolarHBondContact N-O 3.12Å; D168-V186 PolarHBondContact O-N 2.94Å
187	C	91.8	Very high	74.1	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.02	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.5	171.8	-50	0	0	0	0	110	C134 K135 C159 M164 N165	C134-C187 CarbonylContact C-O 3.57Å; C134-C187 WeakPolarHBondContact CA-O 3.41Å; C134-C187 WeakPolarHBondContact CB-O 3.44Å; K135-C187 PolarHBondContact N-O 3.01Å; K135-C187 PolarHBondContact O-N 3.47Å; C159-C187 WeakPolarHBondContact CA-SG 3.41Å; C159-C187 HydrophobicContact CB-CB 3.8Å; C159-C187 WeakPolarHBondContact CB-SG 3.43Å; C159-C187 VanDerWaalsContact SG-CA 3.53Å; C159-C187 WeakPolarHBondContact SG-CB 3.47Å; C159-C187 CovalentContact SG-SG 2.04Å; C159-C187 PolarHBondContact SG-SG 3.32Å; M164-C187 HydrophobicContact CB-CB 4.31Å; M164-C187 HydrophobicContact SD-CB 4.18Å; N165-C187 CarbonylContact O-C 3.5Å; N165-C187 VanDerWaalsContact O-CA 3.32Å; N165-C187 WeakPolarHBondContact O-CA 3.32Å
188	C	89.5	Confident	72.1	Confident	10 Å²	10	64.8 Å²	64.8	7%	0.068	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	152.1	177.7	-70.7	0	0	0	0	111.5	C134 M164 N165 H167	C134-C188 HydrophobicContact CB-CB 4.03Å; C134-C188 WeakPolarHBondContact CB-SG 3.04Å; C134-C188 VanDerWaalsContact SG-CA 3.54Å; C134-C188 WeakPolarHBondContact SG-CB 3.46Å; C134-C188 CovalentContact SG-SG 2.03Å; C134-C188 PolarHBondContact SG-SG 3.47Å; M164-C188 CarbonylContact C-O 3.55Å; M164-C188 VanDerWaalsContact CA-O 3.26Å; M164-C188 WeakPolarHBondContact CA-O 3.32Å; N165-C188 PolarHBondContact N-O 2.83Å; N165-C188 PolarHBondContact O-N 3.04Å; H167-C188 HydrophobicContact CB-CB 4.15Å; H167-C188 VanDerWaalsContact CB-SG 3.53Å; H167-C188 VanDerWaalsContact CD2-SG 3.55Å; H167-C188 VanDerWaalsContact CG-SG 3.58Å
189	P	86.7	Confident	70.3	Confident	47 Å²	47	70.9 Å²	70.9	31%	0.305	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	143.6	172	-24.5	34.5	0	0	0	112.4	K133 T163	K133-P189 HydrophobicContact CB-CG 4.24Å; K133-P189 WeakPolarHBondContact O-CD 3.05Å; T163-P189 WeakPolarHBondContact O-CA 3.1Å
190	S	74.4	Confident	68.1	Low	40 Å²	40	73.8 Å²	73.8	28%	0.28	41%	0.411	S	S	.	.			trans	-68.4	144.8	173.7	76.3	0	0	0	0	111.3	T163 N165 A192	T163-S190 PolarHBondContact O-N 3.27Å; N165-S190 WeakPolarHBondContact ND2-CB 3.32Å; S190-A192 PolarHBondContact O-N 3.43Å
191	E	61.3	Low	65.5	Low	147 Å²	147	83 Å²	83	69%	0.687	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-66.6	-0.5	-166	-54.7	-169.3	108.9	0	0	116	E193 R194	E191-E193 PolarHBondContact O-N 3.34Å; E191-R194 PolarHBondContact O-N 3.27Å; E191-R194 IonicContact OE1-NH1 2.75Å; E191-R194 PolarHBondContact OE1-NH1 3.5Å
192	A	55.9	Low	62.7	Low	91 Å²	91	87.8 Å²	87.8	75%	0.752	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-62.1	-20.6	178.9	0	0	0	0	0	114.2	S190	S190-A192 PolarHBondContact O-N 3.43Å
193	E	53.8	Low	59.9	Low	157 Å²	157	92.1 Å²	92.1	73%	0.734	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-104.6	8.2	-177.7	-64.9	-178.9	172.6	0	0	113.8	E191 G195	E191-E193 PolarHBondContact O-N 3.34Å; E193-G195 VanDerWaalsContact C-N 3.32Å
194	R	48.3	Very low	57	Low	179 Å²	179	99.1 Å²	99.1	68%	0.675	56%	0.558	S	S	*	*	S	Bend	trans	-84.8	0	172.8	-77.3	-175.5	176.2	148.5	-2.3	114.3	E191	E191-R194 PolarHBondContact O-N 3.27Å; E191-R194 IonicContact OE1-NH1 2.75Å; E191-R194 PolarHBondContact OE1-NH1 3.5Å
195	G	40	Very low	54.2	Low	65 Å²	65	105.2 Å²	105.2	67%	0.67	59%	0.592	S	S	*	*	S	Bend	trans	-91.9	-8.3	-169.4	0	0	0	0	0	116.6	E193	E193-G195 VanDerWaalsContact C-N 3.32Å
196	T	38.2	Very low	51.1	Low	113 Å²	113	109.9 Å²	109.9	69%	0.693	63%	0.625	S	S	*	*	S	Bend	trans	-147.6	89	-172.4	52	0	0	0	0	110.3
197	D	34.4	Very low	48.2	Very low	171 Å²	171	117.7 Å²	117.7	91%	0.914	67%	0.667	S	S	*	*	S	Bend	trans	165.3	61.8	155.6	-84.9	-12.4	0	0	0	108.2
198	S	39	Very low	45.2	Very low	108 Å²	108	123.8 Å²	123.8	76%	0.755	70%	0.703	S	S	*	*			trans	-154.9	28.8	-177	77.4	0	0	0	0	114.2
199	V	40.4	Very low	42.3	Very low	133 Å²	133	134.4 Å²	134.4	81%	0.806	74%	0.742	S	S	*	*	S	Bend	trans	-144.4	143.9	170.8	-164.4	0	0	0	0	106.9
200	E	38.8	Very low	39.5	Very low	183 Å²	183	143.7 Å²	143.7	86%	0.855	77%	0.771	S	S	*	*	S	Bend	trans	72.6	60.9	179.5	-52.2	-168.3	-180	0	0	117.2
201	Q	35.8	Very low	37.2	Very low	192 Å²	192	144.2 Å²	144.2	90%	0.897	78%	0.783	S	S	*	*				-167.3	95.4	120.4	-109.1	-179	-17.9	0	0	111.9
202	D	31.9	Very low	35.5	Very low	176 Å²	176	141 Å²	141	94%	0.941	79%	0.79	S	S	*	*			trans	-169.3	89.5	164.9	-103.9	-31.6	0	0	0	109.5
203	A	31.4	Very low	34	Very low	92 Å²	92	145.1 Å²	145.1	76%	0.76	79%	0.793	S	S	*	*			trans	-171.7	138.6	162.3	0	0	0	0	0	110.4
204	D	30.3	Very low	32.8	Very low	146 Å²	146	145.2 Å²	145.2	78%	0.781	79%	0.794	S	S	*	*			trans	51.8	103.7	166.2	-61.9	10.7	0	0	0	116.9
205	D	32.3	Very low	31.8	Very low	153 Å²	153	142 Å²	142	82%	0.818	79%	0.794	S	S	*	*				92.8	148.4	75	-91.9	8	0	0	0	111.9
206	S	28.7	Very low	31.1	Very low	102 Å²	102	144.5 Å²	144.5	71%	0.713	79%	0.792	S	S	*	*			cis	-157.9	-178.9	0.2	38.4	0	0	0	0	110.2
207	D	29.2	Very low	30.6	Very low	164 Å²	164	148.6 Å²	148.6	88%	0.877	80%	0.796	S	S	*	*			trans	-62.3	130.4	-179.6	-50.8	-91.1	0	0	0	114.4
208	V	29.6	Very low	30.1	Very low	130 Å²	130	146.5 Å²	146.5	79%	0.788	79%	0.79	S	S	*	*			trans	-138.6	129.9	146.5	176	0	0	0	0	111.3
209	W	28.6	Very low	29.5	Very low	234 Å²	234	147.8 Å²	147.8	89%	0.886	79%	0.788	S	S	*	*			trans	-80.8	138.4	176.1	173.6	-61.6	0	0	0	111.3
210	W	27	Very low	28.8	Very low	242 Å²	242	147.4 Å²	147.4	92%	0.917	78%	0.782	S	S	*	*			trans	-100.6	109.5	171.3	-83.7	110.7	0	0	0	112.8
211	G	26.6	Very low	28.2	Very low	50 Å²	50	142.9 Å²	142.9	52%	0.515	77%	0.77	S	S	.	*			trans	-142.5	149.4	154.1	0	0	0	0	0	107.2
212	G	24.4	Very low	27.8	Very low	81 Å²	81	142.1 Å²	142.1	84%	0.835	77%	0.768	S	S	*	*			trans	-65	171.3	177.9	0	0	0	0	0	112.8
213	E	26.4	Very low	27.5	Very low	176 Å²	176	140.2 Å²	140.2	82%	0.822	76%	0.763	S	S	*	*			cis	-158.4	162.2	15.5	-168.3	168.9	-172.3	0	0	109.4
214	E	28.1	Very low	27.3	Very low	160 Å²	160	145.6 Å²	145.6	75%	0.748	76%	0.764	S	S	*	*			trans	17	146.8	161.2	-69.3	-165	172.3	0	0	122.4
215	T	25.9	Very low	27	Very low	110 Å²	110	145.7 Å²	145.7	68%	0.675	76%	0.759	S	S	*	*			cis	-164.4	162.5	19.9	0.2	0	0	0	0	114.1
216	D	27	Very low	27	Very low	118 Å²	118	144.4 Å²	144.4	63%	0.631	76%	0.76	S	S	*	*			trans	80.1	148.4	142.4	-112.1	-11.6	0	0	0	125.9
217	Y	26.7	Very low	26.8	Very low	200 Å²	200	148 Å²	148	78%	0.784	77%	0.765	S	S	*	*			trans	67.3	127.8	170.9	-63.4	-68	0	0	0	122.8
218	T	25.1	Very low	27.5	Very low	127 Å²	127	145.5 Å²	145.5	78%	0.779	76%	0.758	S	S	*	*			trans	-111.9	157.2	-171.2	54.3	0	0	0	0	113.2
219	D	25.3	Very low	27.4	Very low	135 Å²	135	144.3 Å²	144.3	72%	0.722	76%	0.761	S	S	*	*			trans	74.4	137.1	145	-157.7	41.2	0	0	0	115.6
220	N	26.2	Very low	27.3	Very low	125 Å²	125	141.1 Å²	141.1	67%	0.668	76%	0.756	S	S	*	*			cis	-166.7	164	41.6	-160	-47.9	0	0	0	113.9
221	S	26.7	Very low	27.2	Very low	87 Å²	87	137.7 Å²	137.7	61%	0.608	75%	0.75	S	S	*	*			trans	61.2	101.7	153.7	178	0	0	0	0	119.3
222	M	26.3	Very low	27.2	Very low	176 Å²	176	143.4 Å²	143.4	87%	0.867	76%	0.764	S	S	*	*				79.6	156.2	67.6	-74	-164.4	-177.9	0	0	117.3
223	V	26.8	Very low	27.4	Very low	136 Å²	136	148.1 Å²	148.1	82%	0.824	76%	0.764	S	S	*	*			trans	91.1	132.4	161.8	-175.1	0	0	0	0	116.7
224	R	25.3	Very low	27.4	Very low	206 Å²	206	147.8 Å²	147.8	78%	0.777	76%	0.763	S	S	*	*			cis	-169.7	158.7	-22.3	-175.7	164.9	-171.9	157.9	2.9	110.8
225	E	24.6	Very low	27.2	Very low	147 Å²	147	147 Å²	147	69%	0.687	77%	0.769	S	S	*	*			trans	-48.4	163.5	167.6	-36.7	141.3	112.2	0	0	114.8
226	P	32.3	Very low	27.2	Very low	127 Å²	127	151.2 Å²	151.2	83%	0.825	78%	0.778	S	S	*	*				-147.7	152.9	86	39.1	-22.4	0	0	0	118.2
227	E	23.8	Very low	28.2	Very low	177 Å²	177	150.5 Å²	150.5	83%	0.827	78%	0.78	S	S	*	*			trans	-89.5	-170.2	162.1	-84.2	-147.8	138.1	0	0	112.3
228	P	45.8	Very low	28.1	Very low	111 Å²	111	146.1 Å²	146.1	72%	0.721	78%	0.778	S	S	*	*				-132.2	-177	-54.8	38.1	-22.6	0	0	0	112.4
229	A	26.4	Very low	28.4	Very low	105 Å²	105	146 Å²	146	87%	0.868	78%	0.777	S	S	*	*			trans	-158.2	151.8	158	0	0	0	0	0	113.4
230	E	26.5	Very low	28.6	Very low	168 Å²	168	144.4 Å²	144.4	79%	0.785	77%	0.772	S	S	*	*			trans	-100.4	154.5	-172.7	-47.5	162.6	124.8	0	0	113.8
231	Q	26.1	Very low	28.9	Very low	169 Å²	169	145.5 Å²	145.5	79%	0.79	77%	0.773	S	S	*	*				162.7	120.7	115.8	-90.8	157.3	43.6	0	0	117
232	Q	26.5	Very low	29.1	Very low	171 Å²	171	148.3 Å²	148.3	80%	0.799	78%	0.776	S	S	*	*			trans	30	135.3	139.5	-72.2	176.8	-16.6	0	0	125.8
233	E	27.3	Very low	29.3	Very low	180 Å²	180	145.9 Å²	145.9	84%	0.841	77%	0.767	S	S	*	*			trans	85.8	162.9	137.2	-76.5	-171	169.6	0	0	123.5
234	E	27.5	Very low	29.6	Very low	169 Å²	169	147.3 Å²	147.3	79%	0.79	77%	0.765	S	S	*	*			trans	-84.6	155.5	-148.1	-47.3	-180	132.5	0	0	116.8
235	T	24	Very low	29.8	Very low	142 Å²	142	144.8 Å²	144.8	87%	0.871	77%	0.767	S	S	*	*				173	167.6	111.4	33.8	0	0	0	0	114.1
236	K	25.9	Very low	30.2	Very low	199 Å²	199	146.4 Å²	146.4	87%	0.865	77%	0.774	S	S	*	*			trans	-124.4	171.9	177.6	-128.8	-173.8	177.4	175	0	108.5
237	P	46.9	Very low	30.8	Very low	104 Å²	104	145 Å²	145	68%	0.675	77%	0.765	S	S	*	*			cis	-139.7	-157	-4.4	42.4	-22.2	0	0	0	114.5
238	S	25.9	Very low	31.2	Very low	107 Å²	107	145.2 Å²	145.2	75%	0.748	77%	0.766	S	S	*	*			trans	90.5	149.3	154.6	91.1	0	0	0	0	117.3
239	V	30	Very low	30.6	Very low	124 Å²	124	147.7 Å²	147.7	75%	0.752	77%	0.768	S	S	*	*			cis	-172.2	150.9	-9.8	112.1	0	0	0	0	111.3
240	V	30.5	Very low	30.8	Very low	102 Å²	102	151.6 Å²	151.6	62%	0.618	77%	0.769	S	S	*	*			trans	69.7	112.1	155.3	152.4	0	0	0	0	118.6
241	E	31.8	Very low	30.9	Very low	149 Å²	149	147.3 Å²	147.3	70%	0.696	77%	0.769	S	S	*	*				82.7	150.8	101.7	-68.8	163.4	-163.3	0	0	112.9
242	E	30.9	Very low	31.1	Very low	145 Å²	145	146.4 Å²	146.4	68%	0.678	77%	0.77	S	S	*	*			cis	-162.5	168.1	-1.3	-119.1	164.5	-178.3	0	0	109.8
243	D	30.9	Very low	31.4	Very low	126 Å²	126	145.1 Å²	145.1	67%	0.674	77%	0.768	S	S	*	*			trans	59.1	158.9	149.8	-57.3	-9.5	0	0	0	122.3
244	E	32.1	Very low	31.6	Very low	165 Å²	165	143 Å²	143	77%	0.771	76%	0.763	S	S	*	*			cis	-162.4	-168.2	-24.6	-107.3	-170.4	147.9	0	0	108.4
245	D	30.1	Very low	31.9	Very low	153 Å²	153	143.5 Å²	143.5	82%	0.818	77%	0.765	S	S	*	*			trans	81.2	96.1	159	-63.9	-23.2	0	0	0	122.2
246	E	33.6	Very low	32.2	Very low	182 Å²	182	146.1 Å²	146.1	85%	0.85	77%	0.767	S	S	*	*			trans	-65.1	166.9	135	-94.8	179.6	-165.4	0	0	110.6
247	P	44.8	Very low	32.5	Very low	98 Å²	98	145.5 Å²	145.5	64%	0.636	77%	0.768	S	S	*	*				-160.7	-178.3	55	44.8	-21.9	0	0	0	119.9
248	E	32.3	Very low	31.7	Very low	181 Å²	181	150 Å²	150	85%	0.846	78%	0.78	S	S	*	*			trans	58	151.7	140.5	-78.1	169.1	-137.1	0	0	121.6
249	E	32.5	Very low	31.9	Very low	163 Å²	163	152.9 Å²	152.9	76%	0.762	78%	0.781	S	S	*	*			cis	-174.7	-173.7	-20.6	-114.7	-77.8	-167.6	0	0	108.1
250	E	30.1	Very low	31.9	Very low	187 Å²	187	155.2 Å²	155.2	87%	0.874	78%	0.784	S	S	*	*			trans	76.1	134.5	163.5	-58.3	-169.4	-175.7	0	0	120.1
251	G	29	Very low	31.8	Very low	77 Å²	77	159.8 Å²	159.8	79%	0.794	80%	0.799	S	S	*	*			trans	158	46.1	161.2	0	0	0	0	0	119.1
252	D	30.8	Very low	31.6	Very low	151 Å²	151	161 Å²	161	81%	0.807	80%	0.804	S	S	*	*			trans	-66.7	165.1	179.1	-68.5	-60.3	0	0	0	116
253	D	31.8	Very low	31.5	Very low	144 Å²	144	163.3 Å²	163.3	77%	0.77	82%	0.815	S	S	*	*				134	144.4	128.8	-77.1	-29.2	0	0	0	117.9
254	D	32.3	Very low	31.4	Very low	136 Å²	136	165.5 Å²	165.5	73%	0.727	82%	0.821	S	S	*	*			trans	60.1	116.2	162	-55.4	-16.7	0	0	0	119.4
255	E	33	Very low	31.3	Very low	179 Å²	179	164.2 Å²	164.2	84%	0.836	82%	0.82	S	S	*	*				88.9	120.4	54.4	-79.1	-166.8	179.5	0	0	114.6
256	E	30.8	Very low	31.2	Very low	196 Å²	196	163.1 Å²	163.1	92%	0.916	81%	0.814	S	S	*	*				-178.8	159.8	119.6	-99	-179	177.5	0	0	111.2
257	E	33.2	Very low	31.1	Very low	186 Å²	186	161.4 Å²	161.4	87%	0.869	81%	0.811	S	S	*	*			trans	-106	165.8	-172.8	-56.1	171.5	132.4	0	0	112
258	E	29.6	Very low	30.4	Very low	199 Å²	199	164 Å²	164	93%	0.93	82%	0.819	S	S	*	*			trans	-163.1	166.8	138.8	-115.9	174.4	-155	0	0	111.3
259	E	30.5	Very low	30.5	Very low	167 Å²	167	161.8 Å²	161.8	78%	0.78	81%	0.813	S	S	*	*			trans	-109.8	169.8	-147.4	-62	174.6	134.1	0	0	116.4
260	E	28.6	Very low	30.5	Very low	173 Å²	173	161.3 Å²	161.3	81%	0.808	81%	0.811	S	S	*	*			trans	25.8	137.5	146.5	-64.9	175.5	-173.9	0	0	122.7
261	E	28.1	Very low	31.1	Very low	199 Å²	199	159.3 Å²	159.3	93%	0.93	81%	0.805	S	S	*	*				-158.1	149.2	117.5	-113.5	173.4	-164.2	0	0	110.9
262	E	28.6	Very low	31.4	Very low	173 Å²	173	162.9 Å²	162.9	81%	0.808	81%	0.806	S	S	*	*			trans	-107.2	154.1	-177.2	-59	176.5	139.8	0	0	111.5
263	E	29.2	Very low	31.9	Very low	194 Å²	194	162.4 Å²	162.4	91%	0.907	80%	0.804	S	S	*	*			trans	-145.7	135.7	150.9	-75.6	-70	-172.2	0	0	107.6
264	E	29.3	Very low	32.1	Very low	172 Å²	172	163.3 Å²	163.3	80%	0.804	81%	0.809	S	S	*	*			trans	-106.1	-153.3	-179.7	-63.9	-165.3	106.6	0	0	111.8
265	D	29.1	Very low	32.6	Very low	139 Å²	139	165.6 Å²	165.6	74%	0.743	82%	0.815	S	S	*	*			trans	90.7	109.6	160.2	-62.6	-4.3	0	0	0	120.7
266	D	27.8	Very low	32.8	Very low	130 Å²	130	164.5 Å²	164.5	70%	0.695	82%	0.815	S	S	*	*			trans	83.7	106.9	135.6	-61.1	-3.1	0	0	0	122.4
267	D	31.3	Very low	33.1	Very low	146 Å²	146	158.6 Å²	158.6	78%	0.781	81%	0.806	S	S	*	*				59	155.7	123.5	-59.4	-12.7	0	0	0	121
268	D	29.8	Very low	33.2	Very low	153 Å²	153	157.6 Å²	157.6	82%	0.818	81%	0.807	S	S	*	*			cis	-143.8	178.3	10.6	-154	-17.9	0	0	0	110.8
269	D	35.3	Very low	33.3	Very low	134 Å²	134	151.4 Å²	151.4	72%	0.717	80%	0.796	S	S	*	*			trans	-85.2	-173.5	-171.6	-143.3	-36.2	0	0	0	114.4
270	Q	33	Very low	33.7	Very low	153 Å²	153	152.6 Å²	152.6	72%	0.715	80%	0.802	S	S	*	*			trans	104	102.3	150.7	-133.7	95.5	123.8	0	0	120.6
271	L	42.1	Very low	34	Very low	144 Å²	144	153.1 Å²	153.1	75%	0.754	81%	0.805	S	S	*	*			trans	-7.4	148.1	137.1	-51.8	169.3	0	0	0	118.4
272	D	34.4	Very low	34.4	Very low	152 Å²	152	150.6 Å²	150.6	81%	0.813	80%	0.798	S	S	*	*				-162.1	171.6	99.4	-118.9	-34.7	0	0	0	114.8
273	N	41.5	Very low	34.8	Very low	142 Å²	142	150.2 Å²	150.2	76%	0.759	80%	0.796	S	S	*	*			trans	-80	163.4	168.2	-68.1	-89.8	0	0	0	111
274	D	35.7	Very low	34.9	Very low	163 Å²	163	150.5 Å²	150.5	87%	0.872	80%	0.797	S	S	*	*			trans	-142.5	155.6	146.7	-99.8	-39.7	0	0	0	112
275	Q	42.9	Very low	35.2	Very low	183 Å²	183	146.4 Å²	146.4	86%	0.855	79%	0.793	S	S	*	*			trans	-153.1	104.8	-168.9	166.9	168.9	100.3	0	0	110.3
276	D	38.5	Very low	35.3	Very low	156 Å²	156	146.6 Å²	146.6	83%	0.834	80%	0.799	S	S	*	*			trans	-144.5	154.9	176.7	-81.2	-55.8	0	0	0	113.5
277	G	37.4	Very low	35.6	Very low	72 Å²	72	147.5 Å²	147.5	74%	0.742	80%	0.804	S	S	*	*			cis	155.5	-11.9	-16.1	0	0	0	0	0	120.7
278	D	34.6	Very low	35.7	Very low	166 Å²	166	150 Å²	150	89%	0.888	81%	0.811	S	S	*	*			trans	-132	179.6	-165.9	69.9	-19.4	0	0	0	116
279	G	31.2	Very low	36.1	Very low	68 Å²	68	151.2 Å²	151.2	70%	0.701	81%	0.811	S	S	*	*			trans	-177.5	165.5	-178.2	0	0	0	0	0	113.8
280	E	38.6	Very low	36	Very low	192 Å²	192	152 Å²	152	90%	0.897	82%	0.815	S	S	*	*			trans	27.5	118	165	-60.8	-178.2	176.7	0	0	120.5
281	E	35.2	Very low	36.2	Very low	185 Å²	185	151.4 Å²	151.4	86%	0.864	82%	0.817	S	S	*	*				-175	119.8	116.4	-100.4	176.3	-160.1	0	0	113.6
282	D	36.4	Very low	35.8	Very low	146 Å²	146	150.8 Å²	150.8	78%	0.781	81%	0.814	S	S	*	*			trans	53.3	133.4	138	-65.5	5.9	0	0	0	127.5
283	E	37.8	Very low	35.8	Very low	165 Å²	165	150.6 Å²	150.6	77%	0.771	81%	0.814	S	S	*	*			trans	61.1	114.6	133	-65.2	-80.6	174.6	0	0	123.2
284	E	31.4	Very low	35.5	Very low	199 Å²	199	150.7 Å²	150.7	93%	0.93	81%	0.814	S	S	*	*				-163.5	162.6	109.4	-118.3	-173.8	-148.5	0	0	111.5
285	A	35.2	Very low	35.4	Very low	87 Å²	87	149.7 Å²	149.7	72%	0.719	81%	0.807	S	S	*	*			trans	-123.6	156.1	-165.1	0	0	0	0	0	115.4
286	V	31.1	Very low	34.9	Very low	143 Å²	143	148.5 Å²	148.5	87%	0.867	81%	0.805	S	S	*	*			trans	-145.3	133.6	165	-175.3	0	0	0	0	110
287	D	34	Very low	34.6	Very low	149 Å²	149	148 Å²	148	80%	0.797	80%	0.802	S	S	*	*			trans	-84.6	150.9	174.9	-35.1	-95.8	0	0	0	112.8
288	E	34.3	Very low	34.4	Very low	199 Å²	199	148.9 Å²	148.9	93%	0.93	80%	0.803	S	S	*	*			trans	-143.6	146.3	137.6	-72.5	-157	147.4	0	0	109.2
289	E	37.4	Very low	34.3	Very low	178 Å²	178	147.8 Å²	147.8	83%	0.832	80%	0.796	S	S	*	*			trans	-106.2	-163.7	178	-63.2	-173.7	117.2	0	0	110.6
290	D	33.6	Very low	34.3	Very low	149 Å²	149	151 Å²	151	80%	0.797	80%	0.798	S	S	*	*			trans	74	139.8	169.4	-55.3	-4	0	0	0	117.7
291	D	37.1	Very low	34	Very low	141 Å²	141	150.1 Å²	150.1	75%	0.754	80%	0.799	S	S	*	*			cis	-166.5	-174.8	-28.2	-137.8	-17.8	0	0	0	110.4
292	D	34.7	Very low	33.9	Very low	131 Å²	131	145.6 Å²	145.6	70%	0.701	79%	0.793	S	S	*	*			trans	72.1	114.2	157.9	-68.6	-20.5	0	0	0	121.8
293	D	34.2	Very low	33.7	Very low	149 Å²	149	146 Å²	146	80%	0.797	80%	0.795	S	S	*	*				46.4	146.1	125.1	-67.5	-10.4	0	0	0	122.1
294	D	33.7	Very low	33.5	Very low	144 Å²	144	144.3 Å²	144.3	77%	0.77	79%	0.791	S	S	*	*			cis	-161.4	164.2	49.5	-152.8	-13.9	0	0	0	113.7
295	I	34.5	Very low	33.5	Very low	141 Å²	141	140.1 Å²	140.1	72%	0.723	78%	0.779	S	S	*	*			trans	-116.6	130.9	-179.3	-65.4	172.5	0	0	0	111.1
296	I	31.8	Very low	33.4	Very low	159 Å²	159	143.7 Å²	143.7	82%	0.815	79%	0.787	S	S	*	*			trans	-136	113.7	164.2	-56.2	-177.8	0	0	0	111.6
297	D	33.3	Very low	33.5	Very low	144 Å²	144	144 Å²	144	77%	0.77	78%	0.779	S	S	*	*			trans	-83.4	139.4	165.2	-82.1	-51	0	0	0	112
298	A	33.7	Very low	34.2	Very low	91 Å²	91	142 Å²	142	75%	0.752	77%	0.773	S	S	*	*			trans	-158.4	97.7	154	0	0	0	0	0	107.8
299	L	32	Very low	34.1	Very low	143 Å²	143	137.3 Å²	137.3	75%	0.749	76%	0.758	S	S	*	*				61.2	116	79.2	-71	175.8	0	0	0	115
300	D	31.4	Very low	33.7	Very low	137 Å²	137	134.2 Å²	134.2	73%	0.733	75%	0.752	S	S	*	*			trans	48.2	118.6	141.4	-51.9	-13.6	0	0	0	120.2
301	D	30.7	Very low	33.7	Very low	173 Å²	173	134.3 Å²	134.3	93%	0.925	75%	0.753	S	S	*	*				-155.8	154.2	98.1	-110.5	-28.8	0	0	0	110.8
302	A	34.8	Very low	33.4	Very low	89 Å²	89	134.1 Å²	134.1	74%	0.736	76%	0.756	S	S	*	*			trans	-145.6	133.9	-179.7	0	0	0	0	0	111.5
303	D	31.8	Very low	33	Very low	156 Å²	156	132.2 Å²	132.2	83%	0.834	76%	0.759	S	S	*	*			trans	-179.2	157.1	163.3	-106.2	-6.6	0	0	0	108.6
304	D	32.3	Very low	33.1	Very low	128 Å²	128	134.2 Å²	134.2	68%	0.684	77%	0.765	S	S	*	*			cis	-146.4	174.7	1.2	-154.9	-10.5	0	0	0	111.1
305	T	32.3	Very low	32.9	Very low	111 Å²	111	133 Å²	133	68%	0.681	76%	0.764	S	S	*	*			trans	-52.8	158.9	-179.5	59	0	0	0	0	117.4
306	D	32.8	Very low	33.3	Very low	163 Å²	163	133.1 Å²	133.1	87%	0.872	77%	0.771	S	S	*	*				-155.5	125.8	114.4	-122.5	-23.8	0	0	0	112.5
307	E	32.5	Very low	33.3	Very low	150 Å²	150	130.1 Å²	130.1	70%	0.701	76%	0.76	S	S	*	*			trans	-137.3	145.4	164.3	-157.6	-138.3	-104.1	0	0	107.5	T309	E307-T309 PolarHBondContact OE2-N 3.32Å
308	P	50.2	Low	33.7	Very low	105 Å²	105	130.2 Å²	130.2	68%	0.682	77%	0.766	S	S	*	*				-153	115	124	32.8	-12.8	0	0	0	118.2
309	T	30.7	Very low	33.9	Very low	101 Å²	101	131.2 Å²	131.2	62%	0.62	76%	0.763	S	S	*	*				74.7	149.1	122.8	73	0	0	0	0	124.6	E307	E307-T309 PolarHBondContact OE2-N 3.32Å
310	T	30.7	Very low	34.1	Very low	114 Å²	114	129.6 Å²	129.6	70%	0.699	76%	0.759	S	S	*	*			trans	97	91.3	149.1	63.6	0	0	0	0	122.6
311	N	33	Very low	34.5	Very low	151 Å²	151	127.9 Å²	127.9	81%	0.807	75%	0.754	S	S	*	*				46.6	131.1	99.2	-59.6	-28.1	0	0	0	118.4
312	V	31.3	Very low	35.4	Very low	136 Å²	136	125.7 Å²	125.7	82%	0.824	75%	0.747	S	S	*	*			cis	-157.1	142.2	18.5	-178.5	0	0	0	0	110.8
313	A	25.5	Very low	36	Very low	92 Å²	92	129.4 Å²	129.4	76%	0.76	75%	0.749	S	S	*	*			trans	-164.5	136.5	143.2	0	0	0	0	0	111.8
314	M	36.4	Very low	37.3	Very low	190 Å²	190	124 Å²	124	94%	0.936	72%	0.724	S	S	*	*			trans	-90.7	130.7	169.1	-75.5	-174.3	-77.4	0	0	110.6
315	T	29.5	Very low	38.8	Very low	120 Å²	120	121.3 Å²	121.3	74%	0.736	71%	0.712	S	S	*	*			trans	-134.3	123.7	160.3	-45.8	0	0	0	0	108.9	T317	T315-T317 PolarHBondContact O-N 3.46Å
316	T	42.2	Very low	40.6	Very low	142 Å²	142	123.5 Å²	123.5	87%	0.871	71%	0.714	S	S	*	*			trans	-79.3	107.1	173.7	46.7	0	0	0	0	109.9
317	T	33	Very low	42.5	Very low	97 Å²	97	122.4 Å²	122.4	60%	0.595	70%	0.704	S	S	*	*			trans	-124	98.5	177.3	-39.3	0	0	0	0	109.4	T315 T319	T315-T317 PolarHBondContact O-N 3.46Å; T317-T319 VanDerWaalsContact C-N 3.28Å; T317-T319 PolarHBondContact O-N 3.41Å
318	T	40.1	Very low	44.5	Very low	145 Å²	145	118.7 Å²	118.7	89%	0.89	69%	0.691	S	S	*	*			trans	-80.9	76	175.5	47.6	0	0	0	0	110.5
319	T	39.1	Very low	46.1	Very low	112 Å²	112	115.3 Å²	115.3	69%	0.687	67%	0.669	S	S	*	*			trans	-147.8	103.1	169.9	49	0	0	0	0	108.3	T317	T317-T319 VanDerWaalsContact C-N 3.28Å; T317-T319 PolarHBondContact O-N 3.41Å
320	T	35.9	Very low	48.6	Very low	109 Å²	109	114.9 Å²	114.9	67%	0.669	66%	0.658	S	S	*	*			trans	-126.2	117.9	174.4	37.8	0	0	0	0	109.5
321	T	39.8	Very low	51.2	Low	102 Å²	102	115.4 Å²	115.4	63%	0.626	66%	0.657	S	S	*	*			trans	-60.3	144.4	157.2	42.5	0	0	0	0	109	E323 S324	T321-E323 VanDerWaalsContact C-N 3.27Å; T321-E323 PolarHBondContact O-N 2.03Å; T321-S324 PolarHBondContact O-N 3.42Å; T321-S324 VanDerWaalsContact O-N 3.13Å; T321-S324 PolarHBondContact O-OG 2.97Å
322	T	49.5	Very low	53.8	Low	126 Å²	126	109.1 Å²	109.1	77%	0.773	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-37.3	-174	38.1	0	0	0	0	113.1	S324 V325	T322-S324 PolarHBondContact O-N 2.64Å; T322-S324 VanDerWaalsContact O-N 3.14Å; T322-V325 WeakPolarHBondContact O-CB 2.95Å; T322-V325 PolarHBondContact O-N 3.42Å
323	E	47.5	Very low	56.6	Low	168 Å²	168	102.7 Å²	102.7	79%	0.785	58%	0.584	S	S	*	*	H	α-helix	trans	-49.7	-35	174.9	-165.5	172.6	-141.5	0	0	113.6	T321 V325	T321-E323 VanDerWaalsContact C-N 3.27Å; T321-E323 PolarHBondContact O-N 2.03Å; E323-V325 VanDerWaalsContact C-N 3.33Å; E323-V325 PolarHBondContact O-N 2.7Å
324	S	59.3	Low	59.6	Low	43 Å²	43	104.1 Å²	104.1	30%	0.301	57%	0.57	S	S	.	*	H	α-helix	trans	-79.3	-8	179.8	68	0	0	0	0	115.2	T321 T322 V328	T321-S324 PolarHBondContact O-N 3.42Å; T321-S324 VanDerWaalsContact O-N 3.13Å; T321-S324 PolarHBondContact O-OG 2.97Å; T322-S324 PolarHBondContact O-N 2.64Å; T322-S324 VanDerWaalsContact O-N 3.14Å; S324-V328 WeakPolarHBondContact O-CG2 3.34Å
325	V	63.4	Low	62	Low	71 Å²	71	96.6 Å²	96.6	43%	0.43	54%	0.538	S	S	.	.	H	α-helix	trans	-86.4	-38.6	-175.5	-176.9	0	0	0	0	111.2	T322 E323 V328 V329	T322-V325 WeakPolarHBondContact O-CB 2.95Å; T322-V325 PolarHBondContact O-N 3.42Å; E323-V325 VanDerWaalsContact C-N 3.33Å; E323-V325 PolarHBondContact O-N 2.7Å; V325-V328 PolarHBondContact O-N 3.13Å; V325-V329 HydrophobicContact CG1-CG2 4.28Å; V325-V329 WeakPolarHBondContact O-CG2 3.22Å; V325-V329 PolarHBondContact O-N 2.98Å
326	E	69.5	Low	64.9	Low	157 Å²	157	96.9 Å²	96.9	73%	0.734	54%	0.535	S	S	*	.	H	α-helix	trans	-69.5	-42	-174.7	-61.6	-167.2	161.9	0	0	112.5	V328 V329 K330	E326-V328 VanDerWaalsContact C-N 3.34Å; E326-V328 PolarHBondContact O-N 3.08Å; E326-V329 PolarHBondContact O-N 3.32Å; E326-K330 VanDerWaalsContact O-CB 3.26Å; E326-K330 WeakPolarHBondContact O-CB 3.46Å; E326-K330 PolarHBondContact O-N 3.08Å
327	E	72.8	Confident	67.1	Low	140 Å²	140	92 Å²	92	65%	0.654	51%	0.509	S	S	*	.	H	α-helix	trans	-59.5	-44.3	173.4	-64.8	-161.7	129.1	0	0	111.9	V329 K330 D331	E327-V329 VanDerWaalsContact C-N 3.34Å; E327-V329 PolarHBondContact O-N 3.14Å; E327-K330 WeakPolarHBondContact O-CB 3.26Å; E327-K330 PolarHBondContact O-N 3.47Å; E327-D331 PolarHBondContact O-N 3.29Å
328	V	76.2	Confident	70	Confident	71 Å²	71	91.3 Å²	91.3	43%	0.43	50%	0.499	S	S	.	.	H	α-helix	trans	-67	-35.5	179.5	175.2	0	0	0	0	111.7	S324 V325 E326 V332	S324-V328 WeakPolarHBondContact O-CG2 3.34Å; V325-V328 PolarHBondContact O-N 3.13Å; E326-V328 VanDerWaalsContact C-N 3.34Å; E326-V328 PolarHBondContact O-N 3.08Å; V328-V332 WeakPolarHBondContact O-CB 3.38Å; V328-V332 WeakPolarHBondContact O-CG2 3.45Å; V328-V332 PolarHBondContact O-N 3.05Å
329	V	83	Confident	72.4	Confident	35 Å²	35	88 Å²	88	21%	0.212	48%	0.479	C	S	.	.	H	α-helix	trans	-70.2	-39.1	174.2	170.9	0	0	0	0	111	V325 E326 E327 V332 C333 V382 V386	V325-V329 HydrophobicContact CG1-CG2 4.28Å; V325-V329 WeakPolarHBondContact O-CG2 3.22Å; V325-V329 PolarHBondContact O-N 2.98Å; E326-V329 PolarHBondContact O-N 3.32Å; E327-V329 VanDerWaalsContact C-N 3.34Å; E327-V329 PolarHBondContact O-N 3.14Å; V329-V332 WeakPolarHBondContact O-CB 3.47Å; V329-V332 PolarHBondContact O-N 3.26Å; V329-C333 WeakPolarHBondContact O-CB 3.5Å; V329-C333 PolarHBondContact O-N 3.01Å; V329-C333 PolarHBondContact O-SG 3.42Å; V329-V382 HydrophobicContact CG1-CG1 4.37Å; V329-V382 VanDerWaalsContact CG1-O 3.31Å; V329-V382 WeakPolarHBondContact CG1-O 3.38Å; V329-V386 HydrophobicContact CG1-CG2 3.65Å
330	K	83.3	Confident	74.9	Confident	92 Å²	92	83.5 Å²	83.5	40%	0.4	46%	0.455	S	S	.	.	H	α-helix	trans	-60.6	-50.3	175.6	-171.4	-179.9	-177.6	-179	0	111.8	E326 E327 V332 C333 W334 V386	E326-K330 VanDerWaalsContact O-CB 3.26Å; E326-K330 WeakPolarHBondContact O-CB 3.46Å; E326-K330 PolarHBondContact O-N 3.08Å; E327-K330 WeakPolarHBondContact O-CB 3.26Å; E327-K330 PolarHBondContact O-N 3.47Å; K330-V332 VanDerWaalsContact C-N 3.29Å; K330-V332 PolarHBondContact O-N 3.18Å; K330-C333 PolarHBondContact O-N 3.43Å; K330-W334 HydrophobicContact CD-CH2 4.4Å; K330-W334 HydrophobicContact CD-CZ2 4.46Å; K330-W334 HydrophobicContact CG-CD2 3.82Å; K330-W334 HydrophobicContact CG-CE3 4.07Å; K330-W334 HydrophobicContact CG-CG 4.36Å; K330-W334 HydrophobicContact CG-CH2 4.34Å; K330-W334 HydrophobicContact CG-CZ2 4.07Å; K330-W334 HydrophobicContact CG-CZ3 4.32Å; K330-W334 VanDerWaalsContact O-CB 3.26Å; K330-W334 WeakPolarHBondContact O-CB 3.21Å; K330-W334 PolarHBondContact O-N 3.04Å; K330-V386 HydrophobicContact CB-CG1 4.19Å; K330-V386 HydrophobicContact CG-CG1 4.15Å
331	D	84.3	Confident	77.5	Confident	125 Å²	125	83.4 Å²	83.4	67%	0.668	46%	0.456	S	S	*	.	H	α-helix	trans	-57.7	-39.2	174.1	-83.3	-2.9	0	0	0	112.8	E327	E327-D331 PolarHBondContact O-N 3.29Å
332	V	88.8	Confident	80	Confident	19 Å²	19	81.1 Å²	81.1	12%	0.115	44%	0.444	C	S	.	.	H	α-helix	trans	-66.8	-47	177.6	167.3	0	0	0	0	111.3	V328 V329 K330 R370 N371 F373	V328-V332 WeakPolarHBondContact O-CB 3.38Å; V328-V332 WeakPolarHBondContact O-CG2 3.45Å; V328-V332 PolarHBondContact O-N 3.05Å; V329-V332 WeakPolarHBondContact O-CB 3.47Å; V329-V332 PolarHBondContact O-N 3.26Å; K330-V332 VanDerWaalsContact C-N 3.29Å; K330-V332 PolarHBondContact O-N 3.18Å; V332-R370 HydrophobicContact CB-CB 4.31Å; V332-R370 HydrophobicContact CG1-CB 3.99Å; V332-R370 HydrophobicContact CG2-CB 3.73Å; V332-R370 HydrophobicContact CG2-CG 4.36Å; V332-N371 VanDerWaalsContact O-CB 3.29Å; V332-N371 WeakPolarHBondContact O-CB 3.4Å; V332-F373 HydrophobicContact CG1-CZ 4.08Å
333	C	90.4	Very high	81.9	Confident	0 Å²	0	86.9 Å²	86.9	0%	0	45%	0.451	C	S	.	.	H	α-helix	trans	-83.9	-22.1	-171.9	-64.4	0	0	0	0	113.8	V329 K330 F351 C383 V386	V329-C333 WeakPolarHBondContact O-CB 3.5Å; V329-C333 PolarHBondContact O-N 3.01Å; V329-C333 PolarHBondContact O-SG 3.42Å; K330-C333 PolarHBondContact O-N 3.43Å; C333-F351 HydrophobicContact CB-CD1 4.41Å; C333-C383 HydrophobicContact CB-CB 3.68Å; C333-C383 WeakPolarHBondContact CB-SG 3.4Å; C333-C383 WeakPolarHBondContact SG-CA 3.39Å; C333-C383 WeakPolarHBondContact SG-CB 3.45Å; C333-C383 CovalentContact SG-SG 2.04Å; C333-C383 PolarHBondContact SG-SG 3.08Å; C333-V386 HydrophobicContact CB-CG2 4.15Å
334	W	87.3	Confident	83.9	Confident	123 Å²	123	80.9 Å²	80.9	47%	0.466	43%	0.431	S	S	.	.	H	α-helix	trans	-89.7	-9.2	-179.3	-71.2	13	0	0	0	113.9	K330	K330-W334 HydrophobicContact CD-CH2 4.4Å; K330-W334 HydrophobicContact CD-CZ2 4.46Å; K330-W334 HydrophobicContact CG-CD2 3.82Å; K330-W334 HydrophobicContact CG-CE3 4.07Å; K330-W334 HydrophobicContact CG-CG 4.36Å; K330-W334 HydrophobicContact CG-CH2 4.34Å; K330-W334 HydrophobicContact CG-CZ2 4.07Å; K330-W334 HydrophobicContact CG-CZ3 4.32Å; K330-W334 VanDerWaalsContact O-CB 3.26Å; K330-W334 WeakPolarHBondContact O-CB 3.21Å; K330-W334 PolarHBondContact O-N 3.04Å
335	A	87.7	Confident	85.4	Confident	32 Å²	32	86.8 Å²	86.8	26%	0.264	46%	0.456	S	S	.	.	S	Bend	trans	-78.1	140.4	178.2	0	0	0	0	0	112.9	N371	A335-N371 WeakPolarHBondContact O-CB 3.32Å; A335-N371 PolarHBondContact O-ND2 3Å
336	N	89.1	Confident	86.7	Confident	126 Å²	126	87 Å²	87	67%	0.674	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-67.5	153	179.3	-63.7	-28.3	0	0	0	112.8	E338 N369	N336-E338 PolarHBondContact O-N 3.17Å; N336-N369 PolarHBondContact O-ND2 3.45Å
337	A	89.7	Confident	87.8	Confident	39 Å²	39	83.2 Å²	83.2	32%	0.322	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-58.7	123.1	177.3	0	0	0	0	0	113.1	Y350 F361	A337-Y350 HydrophobicContact CB-CD1 3.69Å; A337-Y350 HydrophobicContact CB-CD2 3.71Å; A337-Y350 HydrophobicContact CB-CE1 3.95Å; A337-Y350 HydrophobicContact CB-CE2 3.96Å; A337-Y350 HydrophobicContact CB-CG 3.56Å; A337-F361 HydrophobicContact CB-CB 4.43Å; A337-F361 HydrophobicContact CB-CD1 4.49Å; A337-F361 HydrophobicContact CB-CD2 4.06Å; A337-F361 HydrophobicContact CB-CE2 4.4Å; A337-F361 HydrophobicContact CB-CG 4.1Å
338	E	93	Very high	88.8	Confident	82 Å²	82	80 Å²	80	38%	0.383	43%	0.425	S	S	.	.			trans	-115.7	112	178.8	-162.5	-152.2	139.4	0	0	112.4	N336 G340 G368 N369	N336-E338 PolarHBondContact O-N 3.17Å; E338-G340 PolarHBondContact O-N 3.45Å; E338-G368 VanDerWaalsContact CD-CA 3.42Å; E338-G368 PolarHBondContact OE1-N 3.46Å; E338-G368 VanDerWaalsContact OE2-C 3.32Å; E338-G368 VanDerWaalsContact OE2-CA 3.32Å; E338-G368 WeakPolarHBondContact OE2-CA 3.29Å; E338-N369 PolarHBondContact OE2-N 3.25Å; E338-N369 VanDerWaalsContact OE2-N 3.08Å
339	T	91.9	Very high	89.7	Confident	75 Å²	75	79 Å²	79	46%	0.46	41%	0.413	S	S	.	.			trans	-58.5	-31.7	174.8	-58.3	0	0	0	0	113.2	I362 Y363 G364	T339-I362 WeakPolarHBondContact CG2-O 3.35Å; T339-I362 PolarHBondContact OG1-O 3.32Å; T339-Y363 WeakPolarHBondContact O-CD2 3.47Å; T339-G364 WeakPolarHBondContact O-CA 3.4Å; T339-G364 PolarHBondContact O-N 3.11Å
340	G	90.7	Very high	90.2	Very high	18 Å²	18	79.3 Å²	79.3	19%	0.186	41%	0.411	C	S	.	.			trans	72.3	172.2	-171.2	0	0	0	0	0	114.2	E338 C342	E338-G340 PolarHBondContact O-N 3.45Å; G340-C342 PolarHBondContact O-N 2.92Å
341	P	90.1	Very high	90.6	Very high	108 Å²	108	75.4 Å²	75.4	70%	0.701	39%	0.394	S	S	*	.	S	Bend	trans	-80.9	-10.2	-169.7	30.9	-36.7	0	0	0	115.5	C366	P341-C366 WeakPolarHBondContact CD-O 3.45Å
342	C	92.8	Very high	90.9	Very high	53 Å²	53	70.7 Å²	70.7	36%	0.358	37%	0.369	S	S	.	.			trans	-79.5	165.9	177.5	-78.5	0	0	0	0	112.6	G340 G364 C366	G340-C342 PolarHBondContact O-N 2.92Å; C342-G364 CarbonylContact C-O 3.6Å; C342-G364 WeakPolarHBondContact CB-O 3.31Å; C342-G364 VanDerWaalsContact O-CA 3.31Å; C342-G364 WeakPolarHBondContact O-CA 3.31Å; C342-C366 HydrophobicContact CB-CB 3.84Å; C342-C366 WeakPolarHBondContact CB-SG 3.42Å; C342-C366 WeakPolarHBondContact SG-CB 3.36Å; C342-C366 CovalentContact SG-SG 2.03Å; C342-C366 PolarHBondContact SG-SG 3.32Å
343	R	90.3	Very high	90.5	Very high	247 Å²	247	77.7 Å²	77.7	93%	0.932	39%	0.393	S	S	*	.			trans	-119.5	27	-170.4	-59.7	-175.4	-178.9	-178.1	-1	114.5	G364	R343-G364 PolarHBondContact N-O 3.23Å
344	A	89	Confident	90	Very high	43 Å²	43	86.2 Å²	86.2	36%	0.355	43%	0.433	S	S	.	.			trans	-72.1	165.6	164.3	0	0	0	0	0	110.3	L346 G364	A344-L346 HydrophobicContact CB-CD1 4.43Å; A344-L346 HydrophobicContact CB-CG 4.09Å; A344-G364 WeakPolarHBondContact CB-O 3.37Å; A344-G364 PolarHBondContact N-O 3.02Å
345	M	90.1	Very high	89.6	Confident	167 Å²	167	85.5 Å²	85.5	82%	0.823	44%	0.435	S	S	*	.			trans	-120.2	81.5	170.9	-70	176.5	171.8	0	0	108	I362	M345-I362 HydrophobicContact CB-CG2 4.2Å; M345-I362 HydrophobicContact CG-CG2 4.3Å
346	L	90.9	Very high	89.4	Confident	74 Å²	74	85.6 Å²	85.6	39%	0.387	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.9	178	-60.6	175.3	0	0	0	108.8	A344 R348 Y363	A344-L346 HydrophobicContact CB-CD1 4.43Å; A344-L346 HydrophobicContact CB-CG 4.09Å; L346-R348 PolarHBondContact O-N 3.47Å; L346-Y363 HydrophobicContact CD1-CD1 4.16Å; L346-Y363 PolarHBondContact N-O 2.96Å; L346-Y363 VanDerWaalsContact N-O 3.08Å; L346-Y363 PolarHBondContact O-N 2.88Å
347	P	92.8	Very high	89.3	Confident	79 Å²	79	85.1 Å²	85.1	51%	0.513	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	131.9	170.9	28.1	-32.8	0	0	0	109.3	Q360	P347-Q360 HydrophobicContact CB-CG 4.38Å
348	R	94.4	Very high	89.4	Confident	73 Å²	73	83.3 Å²	83.3	28%	0.275	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	165.4	-179.6	-74.7	-64.3	-171.3	98.6	-16	109.6	L346 Q360 F361 Y363 N372 F373	L346-R348 PolarHBondContact O-N 3.47Å; R348-Q360 CarbonylContact O-C 3.54Å; R348-Q360 VanDerWaalsContact O-CA 3.31Å; R348-Q360 WeakPolarHBondContact O-CA 3.3Å; R348-F361 HydrophobicContact CB-CD1 3.94Å; R348-F361 HydrophobicContact CB-CE1 3.51Å; R348-F361 HydrophobicContact CB-CZ 3.99Å; R348-F361 PolarHBondContact N-O 3.03Å; R348-F361 WeakPolarHBondContact O-CD1 3.24Å; R348-F361 PolarHBondContact O-N 3.3Å; R348-Y363 HydrophobicContact CG-CD1 4.34Å; R348-Y363 HydrophobicContact CG-CG 4.29Å; R348-N372 WeakPolarHBondContact CB-OD1 3.34Å; R348-N372 VanDerWaalsContact CG-OD1 3.26Å; R348-N372 WeakPolarHBondContact CG-OD1 3.34Å; R348-N372 PolarHBondContact NH1-O 3.47Å; R348-N372 PolarHBondContact NH1-OD1 2.95Å; R348-F373 WeakPolarHBondContact CD-O 3.28Å
349	W	94.1	Very high	89.5	Confident	49 Å²	49	80.6 Å²	80.6	19%	0.186	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.1	179.4	-63.4	90	0	0	0	110.3	C358 V359 Q360 F373 S375 E376 C379	W349-C358 HydrophobicContact CE3-CB 4.34Å; W349-V359 WeakPolarHBondContact CA-O 3.34Å; W349-Q360 HydrophobicContact CD2-CB 4.3Å; W349-Q360 HydrophobicContact CE3-CB 4.13Å; W349-Q360 HydrophobicContact CH2-CB 4.26Å; W349-Q360 HydrophobicContact CZ2-CB 4.39Å; W349-Q360 HydrophobicContact CZ3-CB 4.11Å; W349-F373 HydrophobicContact CB-CB 4.32Å; W349-F373 PolarHBondContact N-O 2.98Å; W349-F373 PolarHBondContact O-N 2.94Å; W349-S375 VanDerWaalsContact CD1-C 3.41Å; W349-E376 HydrophobicContact CD2-CB 3.8Å; W349-E376 HydrophobicContact CD2-CG 4.31Å; W349-E376 HydrophobicContact CE3-CB 3.89Å; W349-E376 HydrophobicContact CE3-CG 3.87Å; W349-E376 HydrophobicContact CG-CB 4.41Å; W349-E376 HydrophobicContact CH2-CB 3.94Å; W349-E376 HydrophobicContact CH2-CG 4Å; W349-E376 WeakPolarHBondContact CH2-OE2 3.06Å; W349-E376 HydrophobicContact CZ2-CB 3.88Å; W349-E376 HydrophobicContact CZ2-CG 4.46Å; W349-E376 HydrophobicContact CZ3-CB 3.95Å; W349-E376 HydrophobicContact CZ3-CG 3.69Å; W349-C379 HydrophobicContact CB-CB 4.18Å
350	Y	93.6	Very high	89.5	Confident	42 Å²	42	82.3 Å²	82.3	17%	0.165	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	153.7	170	78.5	-79.2	0	0	0	108.8	A337 D352 C358 V359 F361 N371 C379	A337-Y350 HydrophobicContact CB-CD1 3.69Å; A337-Y350 HydrophobicContact CB-CD2 3.71Å; A337-Y350 HydrophobicContact CB-CE1 3.95Å; A337-Y350 HydrophobicContact CB-CE2 3.96Å; A337-Y350 HydrophobicContact CB-CG 3.56Å; Y350-D352 HydrophobicContact CE2-CB 3.92Å; Y350-D352 PolarHBondContact OH-OD2 2.79Å; Y350-C358 CarbonylContact O-C 3.5Å; Y350-C358 VanDerWaalsContact O-CA 3.31Å; Y350-C358 WeakPolarHBondContact O-CA 3.32Å; Y350-V359 HydrophobicContact CD1-CB 4.21Å; Y350-V359 WeakPolarHBondContact CD1-O 3.25Å; Y350-V359 HydrophobicContact CE1-CB 3.65Å; Y350-V359 HydrophobicContact CE1-CG1 3.91Å; Y350-V359 PolarHBondContact N-O 3.41Å; Y350-V359 PolarHBondContact O-N 3.23Å; Y350-F361 HydrophobicContact CD1-CB 3.9Å; Y350-F361 AromaticContact CD1-CD1 3.71Å; Y350-F361 HydrophobicContact CD1-CD1 3.71Å; Y350-F361 HydrophobicContact CD1-CG 4.06Å; Y350-F361 HydrophobicContact CE1-CB 4.08Å; Y350-F361 HydrophobicContact CG-CD1 4.28Å; Y350-N371 VanDerWaalsContact CA-OD1 3.29Å; Y350-N371 WeakPolarHBondContact CA-OD1 3.22Å; Y350-N371 VanDerWaalsContact CB-O 3.27Å; Y350-N371 WeakPolarHBondContact CB-O 3.39Å; Y350-C379 VanDerWaalsContact C-SG 3.57Å
351	F	92.6	Very high	89.7	Confident	9 Å²	9	82.4 Å²	82.4	4%	0.039	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	122.6	172.4	-175.6	-98.1	0	0	0	110.1	C333 N371 C383 I387	C333-F351 HydrophobicContact CB-CD1 4.41Å; F351-N371 PolarHBondContact N-ND2 3.11Å; F351-N371 PolarHBondContact N-OD1 3.09Å; F351-N371 PolarHBondContact O-ND2 3.13Å; F351-C383 HydrophobicContact CB-CB 3.68Å; F351-C383 HydrophobicContact CD1-CB 4.06Å; F351-C383 HydrophobicContact CD2-CB 3.51Å; F351-C383 HydrophobicContact CE2-CB 4.2Å; F351-C383 HydrophobicContact CG-CB 3.44Å; F351-C383 VanDerWaalsContact CG-CB 3.44Å; F351-I387 HydrophobicContact CE2-CD1 3.95Å; F351-I387 HydrophobicContact CE2-CG1 4.3Å; F351-I387 HydrophobicContact CZ-CD1 3.67Å; F351-I387 HydrophobicContact CZ-CG1 3.63Å
352	D	88.8	Confident	89.9	Confident	27 Å²	27	81.2 Å²	81.2	14%	0.144	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116	174.7	-167.9	-56.6	0	0	0	110.3	Y350 Q354 E355 G356 R357 V359	Y350-D352 HydrophobicContact CE2-CB 3.92Å; Y350-D352 PolarHBondContact OH-OD2 2.79Å; D352-Q354 VanDerWaalsContact C-N 3.32Å; D352-Q354 PolarHBondContact O-N 3.38Å; D352-Q354 WeakPolarHBondContact OD1-CA 3.41Å; D352-Q354 WeakPolarHBondContact OD1-CB 3.16Å; D352-Q354 PolarHBondContact OD1-N 2.99Å; D352-E355 HydrophobicContact CB-CB 4.35Å; D352-E355 PolarHBondContact OD1-N 2.82Å; D352-G356 WeakPolarHBondContact O-CA 3.33Å; D352-G356 PolarHBondContact O-N 3.24Å; D352-R357 PolarHBondContact N-O 3.21Å; D352-R357 PolarHBondContact O-N 2.69Å; D352-V359 HydrophobicContact CB-CG2 3.81Å
353	R	81.3	Confident	89.9	Confident	165 Å²	165	80.2 Å²	80.2	62%	0.623	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-16.5	-179.5	59.3	170.9	-77.8	-165.2	-4	115
354	Q	80	Confident	89.9	Confident	179 Å²	179	68.5 Å²	68.5	84%	0.836	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-39.5	176.8	-59.7	-172	-5.1	0	0	110.8	D352	D352-Q354 VanDerWaalsContact C-N 3.32Å; D352-Q354 PolarHBondContact O-N 3.38Å; D352-Q354 WeakPolarHBondContact OD1-CA 3.41Å; D352-Q354 WeakPolarHBondContact OD1-CB 3.16Å; D352-Q354 PolarHBondContact OD1-N 2.99Å
355	E	79.5	Confident	89.9	Confident	108 Å²	108	68.2 Å²	68.2	51%	0.505	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-5.4	178.4	-60.5	-168.4	153.7	0	0	113.9	D352 R357	D352-E355 HydrophobicContact CB-CB 4.35Å; D352-E355 PolarHBondContact OD1-N 2.82Å; E355-R357 HydrophobicContact CB-CG 3.86Å; E355-R357 PolarHBondContact O-N 3.45Å; E355-R357 IonicContact OE2-CZ 3.78Å; E355-R357 IonicContact OE2-NE 3.4Å; E355-R357 PolarHBondContact OE2-NE 3.31Å; E355-R357 IonicContact OE2-NH2 2.78Å; E355-R357 PolarHBondContact OE2-NH2 2.8Å
356	G	82	Confident	89.9	Confident	35 Å²	35	62.3 Å²	62.3	36%	0.361	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	22.7	176.7	0	0	0	0	0	114.4	D352 I387	D352-G356 WeakPolarHBondContact O-CA 3.33Å; D352-G356 PolarHBondContact O-N 3.24Å; G356-I387 WeakPolarHBondContact O-CD1 3.17Å
357	R	88.6	Confident	89.6	Confident	115 Å²	115	61 Å²	61	43%	0.434	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	164.7	-166.9	73.4	-172	-171.6	92.2	3.2	112.4	D352 E355 V359	D352-R357 PolarHBondContact N-O 3.21Å; D352-R357 PolarHBondContact O-N 2.69Å; E355-R357 HydrophobicContact CB-CG 3.86Å; E355-R357 PolarHBondContact O-N 3.45Å; E355-R357 IonicContact OE2-CZ 3.78Å; E355-R357 IonicContact OE2-NE 3.4Å; E355-R357 PolarHBondContact OE2-NE 3.31Å; E355-R357 IonicContact OE2-NH2 2.78Å; E355-R357 PolarHBondContact OE2-NH2 2.8Å; R357-V359 HydrophobicContact CG-CG2 4.02Å
358	C	92.1	Very high	89.4	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	136.8	172.4	-66.6	0	0	0	0	111.8	W349 Y350 E376 C379 L380	W349-C358 HydrophobicContact CE3-CB 4.34Å; Y350-C358 CarbonylContact O-C 3.5Å; Y350-C358 VanDerWaalsContact O-CA 3.31Å; Y350-C358 WeakPolarHBondContact O-CA 3.32Å; C358-E376 HydrophobicContact CB-CG 4.08Å; C358-C379 HydrophobicContact CB-CB 3.78Å; C358-C379 WeakPolarHBondContact CB-SG 3.45Å; C358-C379 WeakPolarHBondContact SG-CB 3.41Å; C358-C379 CovalentContact SG-SG 2.03Å; C358-C379 PolarHBondContact SG-SG 2.93Å; C358-L380 HydrophobicContact CB-CD2 4.27Å; C358-L380 HydrophobicContact CB-CG 4.21Å; C358-L380 PolarHBondContact SG-N 3.27Å
359	V	93.3	Very high	89.1	Confident	26 Å²	26	57.5 Å²	57.5	16%	0.158	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143	-175.1	-175	0	0	0	0	109.5	W349 Y350 D352 R357	W349-V359 WeakPolarHBondContact CA-O 3.34Å; Y350-V359 HydrophobicContact CD1-CB 4.21Å; Y350-V359 WeakPolarHBondContact CD1-O 3.25Å; Y350-V359 HydrophobicContact CE1-CB 3.65Å; Y350-V359 HydrophobicContact CE1-CG1 3.91Å; Y350-V359 PolarHBondContact N-O 3.41Å; Y350-V359 PolarHBondContact O-N 3.23Å; D352-V359 HydrophobicContact CB-CG2 3.81Å; R357-V359 HydrophobicContact CG-CG2 4.02Å
360	Q	93.3	Very high	89	Confident	111 Å²	111	63.7 Å²	63.7	52%	0.519	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131.3	180	-175.2	169.7	100.7	0	0	111.5	P347 R348 W349	P347-Q360 HydrophobicContact CB-CG 4.38Å; R348-Q360 CarbonylContact O-C 3.54Å; R348-Q360 VanDerWaalsContact O-CA 3.31Å; R348-Q360 WeakPolarHBondContact O-CA 3.3Å; W349-Q360 HydrophobicContact CD2-CB 4.3Å; W349-Q360 HydrophobicContact CE3-CB 4.13Å; W349-Q360 HydrophobicContact CH2-CB 4.26Å; W349-Q360 HydrophobicContact CZ2-CB 4.39Å; W349-Q360 HydrophobicContact CZ3-CB 4.11Å
361	F	94	Very high	88.9	Confident	19 Å²	19	61.7 Å²	61.7	8%	0.083	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	172.6	172.5	81.8	-71.4	0	0	0	111.8	A337 R348 Y350 N372	A337-F361 HydrophobicContact CB-CB 4.43Å; A337-F361 HydrophobicContact CB-CD1 4.49Å; A337-F361 HydrophobicContact CB-CD2 4.06Å; A337-F361 HydrophobicContact CB-CE2 4.4Å; A337-F361 HydrophobicContact CB-CG 4.1Å; R348-F361 HydrophobicContact CB-CD1 3.94Å; R348-F361 HydrophobicContact CB-CE1 3.51Å; R348-F361 HydrophobicContact CB-CZ 3.99Å; R348-F361 PolarHBondContact N-O 3.03Å; R348-F361 WeakPolarHBondContact O-CD1 3.24Å; R348-F361 PolarHBondContact O-N 3.3Å; Y350-F361 HydrophobicContact CD1-CB 3.9Å; Y350-F361 AromaticContact CD1-CD1 3.71Å; Y350-F361 HydrophobicContact CD1-CD1 3.71Å; Y350-F361 HydrophobicContact CD1-CG 4.06Å; Y350-F361 HydrophobicContact CE1-CB 4.08Å; Y350-F361 HydrophobicContact CG-CD1 4.28Å; F361-N372 HydrophobicContact CZ-CB 4.1Å
362	I	93.6	Very high	88.9	Confident	84 Å²	84	62.4 Å²	62.4	43%	0.431	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116	175.5	-57.2	-59.9	0	0	0	109.5	T339 M345	T339-I362 WeakPolarHBondContact CG2-O 3.35Å; T339-I362 PolarHBondContact OG1-O 3.32Å; M345-I362 HydrophobicContact CB-CG2 4.2Å; M345-I362 HydrophobicContact CG-CG2 4.3Å
363	Y	94.2	Very high	89.1	Confident	31 Å²	31	61.7 Å²	61.7	12%	0.122	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.1	172.9	178.5	-122.7	0	0	0	111.2	T339 L346 R348 G365 C366 G367 N372	T339-Y363 WeakPolarHBondContact O-CD2 3.47Å; L346-Y363 HydrophobicContact CD1-CD1 4.16Å; L346-Y363 PolarHBondContact N-O 2.96Å; L346-Y363 VanDerWaalsContact N-O 3.08Å; L346-Y363 PolarHBondContact O-N 2.88Å; R348-Y363 HydrophobicContact CG-CD1 4.34Å; R348-Y363 HydrophobicContact CG-CG 4.29Å; Y363-G365 VanDerWaalsContact C-N 3.27Å; Y363-G365 VanDerWaalsContact CE1-CA 3.44Å; Y363-G365 PolarHBondContact O-N 2.8Å; Y363-C366 VanDerWaalsContact OH-C 3.28Å; Y363-C366 VanDerWaalsContact OH-CA 3.32Å; Y363-C366 WeakPolarHBondContact OH-CA 3.48Å; Y363-C366 PolarHBondContact OH-N 3.33Å; Y363-G367 VanDerWaalsContact CE2-O 3.26Å; Y363-G367 WeakPolarHBondContact CE2-O 3.31Å; Y363-G367 PolarHBondContact OH-O 3Å; Y363-N372 WeakPolarHBondContact CD2-ND2 3.42Å; Y363-N372 VanDerWaalsContact CE2-ND2 3.26Å; Y363-N372 WeakPolarHBondContact CE2-ND2 3.36Å
364	G	90.7	Very high	89.6	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.01	32%	0.316	C	S	.	.			trans	-74.2	-10.8	-176.7	0	0	0	0	0	114.6	T339 C342 R343 A344	T339-G364 WeakPolarHBondContact O-CA 3.4Å; T339-G364 PolarHBondContact O-N 3.11Å; C342-G364 CarbonylContact C-O 3.6Å; C342-G364 WeakPolarHBondContact CB-O 3.31Å; C342-G364 VanDerWaalsContact O-CA 3.31Å; C342-G364 WeakPolarHBondContact O-CA 3.31Å; R343-G364 PolarHBondContact N-O 3.23Å; A344-G364 WeakPolarHBondContact CB-O 3.37Å; A344-G364 PolarHBondContact N-O 3.02Å
365	G	88.7	Confident	90.2	Very high	37 Å²	37	52.3 Å²	52.3	38%	0.381	29%	0.287	S	S	.	.	S	Bend	trans	91.1	4.4	175.3	0	0	0	0	0	116.1	Y363	Y363-G365 VanDerWaalsContact C-N 3.27Å; Y363-G365 VanDerWaalsContact CE1-CA 3.44Å; Y363-G365 PolarHBondContact O-N 2.8Å
366	C	89.1	Confident	90.7	Very high	44 Å²	44	50.8 Å²	50.8	30%	0.297	28%	0.28	S	S	.	.	S	Bend	trans	-158.7	158.7	164.8	79	0	0	0	0	110.4	P341 C342 Y363	P341-C366 WeakPolarHBondContact CD-O 3.45Å; C342-C366 HydrophobicContact CB-CB 3.84Å; C342-C366 WeakPolarHBondContact CB-SG 3.42Å; C342-C366 WeakPolarHBondContact SG-CB 3.36Å; C342-C366 CovalentContact SG-SG 2.03Å; C342-C366 PolarHBondContact SG-SG 3.32Å; Y363-C366 VanDerWaalsContact OH-C 3.28Å; Y363-C366 VanDerWaalsContact OH-CA 3.32Å; Y363-C366 WeakPolarHBondContact OH-CA 3.48Å; Y363-C366 PolarHBondContact OH-N 3.33Å
367	G	85.8	Confident	90.8	Very high	47 Å²	47	55.6 Å²	55.6	49%	0.485	29%	0.293	S	S	.	.			trans	68.3	-148.7	-172.9	0	0	0	0	0	111.3	Y363	Y363-G367 VanDerWaalsContact CE2-O 3.26Å; Y363-G367 WeakPolarHBondContact CE2-O 3.31Å; Y363-G367 PolarHBondContact OH-O 3Å
368	G	87	Confident	90.7	Very high	26 Å²	26	56.2 Å²	56.2	27%	0.268	30%	0.296	S	S	.	.			trans	81.7	154.8	-173.9	0	0	0	0	0	112.8	E338	E338-G368 VanDerWaalsContact CD-CA 3.42Å; E338-G368 PolarHBondContact OE1-N 3.46Å; E338-G368 VanDerWaalsContact OE2-C 3.32Å; E338-G368 VanDerWaalsContact OE2-CA 3.32Å; E338-G368 WeakPolarHBondContact OE2-CA 3.29Å
369	N	90	Very high	90.6	Very high	51 Å²	51	56.2 Å²	56.2	27%	0.273	30%	0.296	S	S	.	.			trans	-82	-170.3	168.7	68.3	28.2	0	0	0	111.7	N336 E338 N371	N336-N369 PolarHBondContact O-ND2 3.45Å; E338-N369 PolarHBondContact OE2-N 3.25Å; E338-N369 VanDerWaalsContact OE2-N 3.08Å; N369-N371 PolarHBondContact OD1-N 2.89Å; N369-N371 VanDerWaalsContact OD1-N 3.09Å
370	R	90	Very high	90.3	Very high	179 Å²	179	58 Å²	58	68%	0.675	31%	0.305	S	S	*	.	S	Bend	trans	-85.5	-8.9	-174.5	-67.1	-176.3	178.5	179.5	2.1	115	V332 N372	V332-R370 HydrophobicContact CB-CB 4.31Å; V332-R370 HydrophobicContact CG1-CB 3.99Å; V332-R370 HydrophobicContact CG2-CB 3.73Å; V332-R370 HydrophobicContact CG2-CG 4.36Å; R370-N372 PolarHBondContact O-N 3.21Å
371	N	92.4	Very high	89.9	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.311	C	S	.	.			trans	-78.5	63.9	175.7	-160.4	-4.6	0	0	0	110.3	V332 A335 Y350 F351 N369 F373	V332-N371 VanDerWaalsContact O-CB 3.29Å; V332-N371 WeakPolarHBondContact O-CB 3.4Å; A335-N371 WeakPolarHBondContact O-CB 3.32Å; A335-N371 PolarHBondContact O-ND2 3Å; Y350-N371 VanDerWaalsContact CA-OD1 3.29Å; Y350-N371 WeakPolarHBondContact CA-OD1 3.22Å; Y350-N371 VanDerWaalsContact CB-O 3.27Å; Y350-N371 WeakPolarHBondContact CB-O 3.39Å; F351-N371 PolarHBondContact N-ND2 3.11Å; F351-N371 PolarHBondContact N-OD1 3.09Å; F351-N371 PolarHBondContact O-ND2 3.13Å; N369-N371 PolarHBondContact OD1-N 2.89Å; N369-N371 VanDerWaalsContact OD1-N 3.09Å; N371-F373 WeakPolarHBondContact OD1-CE2 3.26Å
372	N	92.8	Very high	89.4	Confident	25 Å²	25	57.1 Å²	57.1	13%	0.134	32%	0.316	C	S	.	.			trans	-154.3	73.8	-162.2	-172	-10.9	0	0	0	111.7	R348 F361 Y363 R370	R348-N372 WeakPolarHBondContact CB-OD1 3.34Å; R348-N372 VanDerWaalsContact CG-OD1 3.26Å; R348-N372 WeakPolarHBondContact CG-OD1 3.34Å; R348-N372 PolarHBondContact NH1-O 3.47Å; R348-N372 PolarHBondContact NH1-OD1 2.95Å; F361-N372 HydrophobicContact CZ-CB 4.1Å; Y363-N372 WeakPolarHBondContact CD2-ND2 3.42Å; Y363-N372 VanDerWaalsContact CE2-ND2 3.26Å; Y363-N372 WeakPolarHBondContact CE2-ND2 3.36Å; R370-N372 PolarHBondContact O-N 3.21Å
373	F	93.3	Very high	89.1	Confident	12 Å²	12	53.1 Å²	53.1	5%	0.053	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-91.8	153.2	-176.7	-51.9	-80.9	0	0	0	111.8	V332 R348 W349 N371 Y378 C379 V382	V332-F373 HydrophobicContact CG1-CZ 4.08Å; R348-F373 WeakPolarHBondContact CD-O 3.28Å; W349-F373 HydrophobicContact CB-CB 4.32Å; W349-F373 PolarHBondContact N-O 2.98Å; W349-F373 PolarHBondContact O-N 2.94Å; N371-F373 WeakPolarHBondContact OD1-CE2 3.26Å; F373-Y378 HydrophobicContact CB-CD1 4.31Å; F373-Y378 AromaticContact CD1-CD1 3.8Å; F373-Y378 HydrophobicContact CD1-CD1 3.8Å; F373-Y378 AromaticContact CD1-CE1 3.86Å; F373-Y378 HydrophobicContact CD1-CE1 3.86Å; F373-Y378 HydrophobicContact CD1-CG 4.46Å; F373-C379 HydrophobicContact CB-CB 3.79Å; F373-C379 HydrophobicContact CD2-CB 3.43Å; F373-C379 VanDerWaalsContact CD2-CB 3.43Å; F373-C379 VanDerWaalsContact CD2-SG 3.58Å; F373-C379 HydrophobicContact CE2-CB 4.13Å; F373-C379 HydrophobicContact CG-CB 3.67Å; F373-V382 HydrophobicContact CE1-CB 3.88Å; F373-V382 HydrophobicContact CE1-CG1 3.92Å; F373-V382 HydrophobicContact CE1-CG2 4.04Å; F373-V382 HydrophobicContact CZ-CB 4.12Å; F373-V382 HydrophobicContact CZ-CG1 3.96Å
374	D	91.8	Very high	88.3	Confident	113 Å²	113	54.5 Å²	54.5	60%	0.604	31%	0.31	S	S	*	.	S	Bend	trans	-86.6	-20.9	178.3	59.1	-23.1	0	0	0	113.8	Y378	D374-Y378 WeakPolarHBondContact OD1-CD1 3.19Å
375	S	91.9	Very high	87.1	Confident	33 Å²	33	59 Å²	59	23%	0.231	34%	0.341	C	S	.	.	S	Bend	trans	-132.9	157.1	174.9	112	0	0	0	0	112.6	W349 E377 Y378 C379	W349-S375 VanDerWaalsContact CD1-C 3.41Å; S375-E377 WeakPolarHBondContact CB-OE2 3.45Å; S375-E377 PolarHBondContact OG-N 3.37Å; S375-E377 PolarHBondContact OG-OE2 2.84Å; S375-Y378 PolarHBondContact OG-N 3.02Å; S375-C379 WeakPolarHBondContact O-CB 3.45Å; S375-C379 PolarHBondContact O-N 3.09Å; S375-C379 VanDerWaalsContact O-N 3.16Å
376	E	89.8	Confident	85.9	Confident	76 Å²	76	58.5 Å²	58.5	36%	0.355	33%	0.331	S	S	.	.	H	α-helix	trans	-68.2	-41.2	176.6	-171.7	174.8	-177.6	0	0	110.5	W349 C358 Y378 C379 L380	W349-E376 HydrophobicContact CD2-CB 3.8Å; W349-E376 HydrophobicContact CD2-CG 4.31Å; W349-E376 HydrophobicContact CE3-CB 3.89Å; W349-E376 HydrophobicContact CE3-CG 3.87Å; W349-E376 HydrophobicContact CG-CB 4.41Å; W349-E376 HydrophobicContact CH2-CB 3.94Å; W349-E376 HydrophobicContact CH2-CG 4Å; W349-E376 WeakPolarHBondContact CH2-OE2 3.06Å; W349-E376 HydrophobicContact CZ2-CB 3.88Å; W349-E376 HydrophobicContact CZ2-CG 4.46Å; W349-E376 HydrophobicContact CZ3-CB 3.95Å; W349-E376 HydrophobicContact CZ3-CG 3.69Å; C358-E376 HydrophobicContact CB-CG 4.08Å; E376-Y378 PolarHBondContact O-N 3.18Å; E376-C379 WeakPolarHBondContact O-CB 3.26Å; E376-C379 PolarHBondContact O-N 3.13Å; E376-L380 HydrophobicContact CG-CD1 4.29Å; E376-L380 WeakPolarHBondContact O-CG 3.26Å; E376-L380 PolarHBondContact O-N 2.92Å
377	E	85.1	Confident	84.2	Confident	136 Å²	136	59.1 Å²	59.1	64%	0.636	33%	0.331	S	S	*	.	H	α-helix	trans	-64.8	-39.2	178.9	-48.6	88.1	159.4	0	0	111.8	S375 A381	S375-E377 WeakPolarHBondContact CB-OE2 3.45Å; S375-E377 PolarHBondContact OG-N 3.37Å; S375-E377 PolarHBondContact OG-OE2 2.84Å; E377-A381 VanDerWaalsContact O-CB 3.24Å; E377-A381 WeakPolarHBondContact O-CB 3.5Å; E377-A381 PolarHBondContact O-N 2.63Å
378	Y	86.1	Confident	82.3	Confident	129 Å²	129	62.1 Å²	62.1	51%	0.506	34%	0.342	S	S	.	.	H	α-helix	trans	-71.2	-39.7	176.2	-177	-135.3	0	0	0	111.8	F373 D374 S375 E376 A381 V382	F373-Y378 HydrophobicContact CB-CD1 4.31Å; F373-Y378 AromaticContact CD1-CD1 3.8Å; F373-Y378 HydrophobicContact CD1-CD1 3.8Å; F373-Y378 AromaticContact CD1-CE1 3.86Å; F373-Y378 HydrophobicContact CD1-CE1 3.86Å; F373-Y378 HydrophobicContact CD1-CG 4.46Å; D374-Y378 WeakPolarHBondContact OD1-CD1 3.19Å; S375-Y378 PolarHBondContact OG-N 3.02Å; E376-Y378 PolarHBondContact O-N 3.18Å; Y378-A381 PolarHBondContact O-N 3.11Å; Y378-V382 HydrophobicContact CD2-CG2 3.96Å; Y378-V382 HydrophobicContact CE2-CG2 3.53Å; Y378-V382 WeakPolarHBondContact O-CG2 3.39Å; Y378-V382 PolarHBondContact O-N 3.47Å; Y378-V382 VanDerWaalsContact O-N 3.08Å
379	C	90.3	Very high	80	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-57.7	-47.9	171.3	173.7	0	0	0	0	111.8	W349 Y350 C358 F373 S375 E376 V382 C383	W349-C379 HydrophobicContact CB-CB 4.18Å; Y350-C379 VanDerWaalsContact C-SG 3.57Å; C358-C379 HydrophobicContact CB-CB 3.78Å; C358-C379 WeakPolarHBondContact CB-SG 3.45Å; C358-C379 WeakPolarHBondContact SG-CB 3.41Å; C358-C379 CovalentContact SG-SG 2.03Å; C358-C379 PolarHBondContact SG-SG 2.93Å; F373-C379 HydrophobicContact CB-CB 3.79Å; F373-C379 HydrophobicContact CD2-CB 3.43Å; F373-C379 VanDerWaalsContact CD2-CB 3.43Å; F373-C379 VanDerWaalsContact CD2-SG 3.58Å; F373-C379 HydrophobicContact CE2-CB 4.13Å; F373-C379 HydrophobicContact CG-CB 3.67Å; S375-C379 WeakPolarHBondContact O-CB 3.45Å; S375-C379 PolarHBondContact O-N 3.09Å; S375-C379 VanDerWaalsContact O-N 3.16Å; E376-C379 WeakPolarHBondContact O-CB 3.26Å; E376-C379 PolarHBondContact O-N 3.13Å; C379-V382 PolarHBondContact O-N 2.85Å; C379-C383 WeakPolarHBondContact O-CB 3.2Å; C379-C383 PolarHBondContact O-N 3.45Å
380	L	87.1	Confident	77.6	Confident	65 Å²	65	68.2 Å²	68.2	34%	0.34	38%	0.384	S	S	.	.	H	α-helix	trans	-65.3	-41.4	177.4	-71.1	171.1	0	0	0	111.7	C358 E376 V382 C383 S384	C358-L380 HydrophobicContact CB-CD2 4.27Å; C358-L380 HydrophobicContact CB-CG 4.21Å; C358-L380 PolarHBondContact SG-N 3.27Å; E376-L380 HydrophobicContact CG-CD1 4.29Å; E376-L380 WeakPolarHBondContact O-CG 3.26Å; E376-L380 PolarHBondContact O-N 2.92Å; L380-V382 PolarHBondContact O-N 3.18Å; L380-C383 PolarHBondContact O-N 3.27Å; L380-S384 WeakPolarHBondContact O-CB 3.34Å; L380-S384 PolarHBondContact O-N 3.09Å; L380-S384 PolarHBondContact O-OG 3.08Å
381	A	84.2	Confident	74.8	Confident	78 Å²	78	68.9 Å²	68.9	65%	0.645	39%	0.392	S	S	*	.	H	α-helix	trans	-65.6	-24.5	178.9	0	0	0	0	0	113.9	E377 Y378	E377-A381 VanDerWaalsContact O-CB 3.24Å; E377-A381 WeakPolarHBondContact O-CB 3.5Å; E377-A381 PolarHBondContact O-N 2.63Å; Y378-A381 PolarHBondContact O-N 3.11Å
382	V	84.6	Confident	72.2	Confident	33 Å²	33	74.4 Å²	74.4	20%	0.2	43%	0.428	C	S	.	.	H	α-helix	trans	-91.1	-37.3	175.7	175.4	0	0	0	0	112.3	V329 F373 Y378 C379 L380	V329-V382 HydrophobicContact CG1-CG1 4.37Å; V329-V382 VanDerWaalsContact CG1-O 3.31Å; V329-V382 WeakPolarHBondContact CG1-O 3.38Å; F373-V382 HydrophobicContact CE1-CB 3.88Å; F373-V382 HydrophobicContact CE1-CG1 3.92Å; F373-V382 HydrophobicContact CE1-CG2 4.04Å; F373-V382 HydrophobicContact CZ-CB 4.12Å; F373-V382 HydrophobicContact CZ-CG1 3.96Å; Y378-V382 HydrophobicContact CD2-CG2 3.96Å; Y378-V382 HydrophobicContact CE2-CG2 3.53Å; Y378-V382 WeakPolarHBondContact O-CG2 3.39Å; Y378-V382 PolarHBondContact O-N 3.47Å; Y378-V382 VanDerWaalsContact O-N 3.08Å; C379-V382 PolarHBondContact O-N 2.85Å; L380-V382 PolarHBondContact O-N 3.18Å
383	C	86.6	Confident	69.8	Low	0 Å²	0	78.1 Å²	78.1	0%	0	46%	0.456	C	S	.	.	H	α-helix	trans	-108.5	-13.3	-168.5	-62.9	0	0	0	0	116.4	C333 F351 C379 L380 S385 V386	C333-C383 HydrophobicContact CB-CB 3.68Å; C333-C383 WeakPolarHBondContact CB-SG 3.4Å; C333-C383 WeakPolarHBondContact SG-CA 3.39Å; C333-C383 WeakPolarHBondContact SG-CB 3.45Å; C333-C383 CovalentContact SG-SG 2.04Å; C333-C383 PolarHBondContact SG-SG 3.08Å; F351-C383 HydrophobicContact CB-CB 3.68Å; F351-C383 HydrophobicContact CD1-CB 4.06Å; F351-C383 HydrophobicContact CD2-CB 3.51Å; F351-C383 HydrophobicContact CE2-CB 4.2Å; F351-C383 HydrophobicContact CG-CB 3.44Å; F351-C383 VanDerWaalsContact CG-CB 3.44Å; C379-C383 WeakPolarHBondContact O-CB 3.2Å; C379-C383 PolarHBondContact O-N 3.45Å; L380-C383 PolarHBondContact O-N 3.27Å; C383-S385 VanDerWaalsContact C-N 3.3Å; C383-S385 PolarHBondContact O-N 2.86Å; C383-V386 PolarHBondContact O-N 3.35Å; C383-V386 VanDerWaalsContact O-N 3.13Å
384	S	76.5	Confident	67.8	Low	59 Å²	59	82.5 Å²	82.5	41%	0.413	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-67.3	-27.8	-179.1	57.6	0	0	0	0	113.9	L380 V386 I387	L380-S384 WeakPolarHBondContact O-CB 3.34Å; L380-S384 PolarHBondContact O-N 3.09Å; L380-S384 PolarHBondContact O-OG 3.08Å; S384-V386 PolarHBondContact O-N 2.77Å; S384-I387 PolarHBondContact O-N 3.08Å
385	S	67.3	Low	66.1	Low	96 Å²	96	81.3 Å²	81.3	67%	0.671	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-69.7	-13.7	173.4	50.3	0	0	0	0	114	C383	C383-S385 VanDerWaalsContact C-N 3.3Å; C383-S385 PolarHBondContact O-N 2.86Å
386	V	61.8	Low	65.1	Low	27 Å²	27	81 Å²	81	16%	0.164	48%	0.482	C	S	.	.	G	3₁₀ helix	trans	-94.8	5.9	-179.7	-149.7	0	0	0	0	112.1	V329 K330 C333 C383 S384	V329-V386 HydrophobicContact CG1-CG2 3.65Å; K330-V386 HydrophobicContact CB-CG1 4.19Å; K330-V386 HydrophobicContact CG-CG1 4.15Å; C333-V386 HydrophobicContact CB-CG2 4.15Å; C383-V386 PolarHBondContact O-N 3.35Å; C383-V386 VanDerWaalsContact O-N 3.13Å; S384-V386 PolarHBondContact O-N 2.77Å
387	I	54.3	Low	64.4	Low	57 Å²	57	78.6 Å²	78.6	29%	0.292	48%	0.475	S	S	.	.	S	Bend	trans	-93	122.2	172.1	-51.7	176	0	0	0	108.1	F351 G356 S384 T389	F351-I387 HydrophobicContact CE2-CD1 3.95Å; F351-I387 HydrophobicContact CE2-CG1 4.3Å; F351-I387 HydrophobicContact CZ-CD1 3.67Å; F351-I387 HydrophobicContact CZ-CG1 3.63Å; G356-I387 WeakPolarHBondContact O-CD1 3.17Å; S384-I387 PolarHBondContact O-N 3.08Å; I387-T389 VanDerWaalsContact C-N 3.32Å; I387-T389 HydrophobicContact CB-CG2 4.41Å; I387-T389 HydrophobicContact CG2-CG2 4.32Å; I387-T389 PolarHBondContact O-N 2.75Å
388	P	45.3	Very low	64.1	Low	110 Å²	110	72.7 Å²	72.7	71%	0.714	45%	0.448	S	S	*	.			trans	-65.4	93.9	161.8	-17.5	32.2	0	0	0	108.8	A390	P388-A390 CarbonylContact C-O 3.57Å; P388-A390 PolarHBondContact O-N 3.09Å
389	T	39.2	Very low	63.9	Low	122 Å²	122	70.3 Å²	70.3	75%	0.748	44%	0.444	S	S	*	.			trans	-72.5	95.9	-178.6	49.9	0	0	0	0	109.8	I387	I387-T389 VanDerWaalsContact C-N 3.32Å; I387-T389 HydrophobicContact CB-CG2 4.41Å; I387-T389 HydrophobicContact CG2-CG2 4.32Å; I387-T389 PolarHBondContact O-N 2.75Å
390	A	38.9	Very low	63.5	Low	83 Å²	83	74.8 Å²	74.8	69%	0.686	47%	0.465	S	S	*	.	S	Bend	trans	64.5	172.8	-164.8	0	0	0	0	0	113.3	P388	P388-A390 CarbonylContact C-O 3.57Å; P388-A390 PolarHBondContact O-N 3.09Å
391	K	30.8	Very low	63.4	Low	192 Å²	192	71.9 Å²	71.9	84%	0.835	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-59.5	140	167.1	-57.9	175	-178.9	177.9	0	107.5	S393	K391-S393 PolarHBondContact O-N 2.77Å
392	P	38.6	Very low	63.5	Low	116 Å²	116	70.6 Å²	70.6	75%	0.753	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-53.9	135	150.2	27.6	-32.3	0	0	0	106.6
393	S	43.2	Very low	63.4	Low	104 Å²	104	76.5 Å²	76.5	73%	0.727	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-51.1	145.4	161.8	42.2	0	0	0	0	107.9	K391	K391-S393 PolarHBondContact O-N 2.77Å
394	S	50.2	Low	63	Low	103 Å²	103	78.1 Å²	78.1	72%	0.72	47%	0.467	S	S	*	.	S	Bend	trans	-45	132.8	167.7	47.4	0	0	0	0	108.4	D396	S394-D396 PolarHBondContact O-N 2.84Å
395	P	57	Low	63.1	Low	88 Å²	88	80 Å²	80	57%	0.571	48%	0.477	S	S	*	.			trans	-48.7	130.6	-173.4	20.2	-32.9	0	0	0	108.9	A397	P395-A397 PolarHBondContact O-N 3.31Å
396	D	71.4	Confident	63.7	Low	28 Å²	28	77.4 Å²	77.4	15%	0.15	46%	0.462	C	S	.	.			trans	-54.2	142.6	-173.5	-165.8	-31.5	0	0	0	107.9	S394 V398 D399 H400 K424	S394-D396 PolarHBondContact O-N 2.84Å; D396-V398 CarbonylContact O-C 3.5Å; D396-V398 PolarHBondContact O-N 3.17Å; D396-V398 PolarHBondContact OD1-N 2.91Å; D396-D399 HydrophobicContact CB-CB 4.15Å; D396-D399 VanDerWaalsContact CB-OD2 3.26Å; D396-D399 WeakPolarHBondContact CB-OD2 3.42Å; D396-D399 PolarHBondContact N-OD2 3.27Å; D396-D399 PolarHBondContact O-N 3.34Å; D396-H400 WeakPolarHBondContact O-CB 3.45Å; D396-H400 PolarHBondContact O-N 3.28Å; D396-K424 WeakPolarHBondContact OD2-CD 3.32Å; D396-K424 VanDerWaalsContact OD2-CE 3.25Å; D396-K424 WeakPolarHBondContact OD2-CE 3.19Å; D396-K424 IonicContact OD2-NZ 2.68Å; D396-K424 PolarHBondContact OD2-NZ 2.83Å
397	A	73.8	Confident	64.5	Low	24 Å²	24	79.4 Å²	79.4	20%	0.198	47%	0.472	C	S	.	.	H	α-helix	trans	-60.3	-21.3	177.3	0	0	0	0	0	111.2	P395 Y401 A417	P395-A397 PolarHBondContact O-N 3.31Å; A397-Y401 WeakPolarHBondContact O-CB 3.45Å; A397-Y401 PolarHBondContact O-N 2.98Å; A397-Y401 VanDerWaalsContact O-N 3.16Å; A397-A417 WeakPolarHBondContact O-CB 3.46Å
398	V	79.4	Confident	65.4	Low	12 Å²	12	83.9 Å²	83.9	7%	0.073	49%	0.492	C	S	.	.	H	α-helix	trans	-67.5	-55.7	165.5	-179.1	0	0	0	0	111.9	D396 H400 Y401 L402 L421 L476	D396-V398 CarbonylContact O-C 3.5Å; D396-V398 PolarHBondContact O-N 3.17Å; D396-V398 PolarHBondContact OD1-N 2.91Å; V398-H400 PolarHBondContact O-N 2.91Å; V398-Y401 WeakPolarHBondContact O-CB 3.32Å; V398-Y401 PolarHBondContact O-N 3.29Å; V398-L402 HydrophobicContact CG1-CD1 4.09Å; V398-L402 HydrophobicContact CG1-CG 4.45Å; V398-L402 VanDerWaalsContact O-CG 3.32Å; V398-L402 WeakPolarHBondContact O-CG 3.26Å; V398-L402 PolarHBondContact O-N 3.24Å; V398-L421 HydrophobicContact CG2-CB 3.81Å; V398-L421 HydrophobicContact CG2-CD1 4.34Å; V398-L421 HydrophobicContact CG2-CD2 4.45Å; V398-L421 HydrophobicContact CG2-CG 4.42Å; V398-L476 HydrophobicContact CG1-CD1 4.33Å
399	D	80.8	Confident	67.3	Low	80 Å²	80	82.9 Å²	82.9	43%	0.428	48%	0.48	S	S	.	.	H	α-helix	trans	-57.9	-49.5	-179.4	-60	-28.1	0	0	0	111	D396 Y401 L402 E403	D396-D399 HydrophobicContact CB-CB 4.15Å; D396-D399 VanDerWaalsContact CB-OD2 3.26Å; D396-D399 WeakPolarHBondContact CB-OD2 3.42Å; D396-D399 PolarHBondContact N-OD2 3.27Å; D396-D399 PolarHBondContact O-N 3.34Å; D399-Y401 VanDerWaalsContact C-N 3.33Å; D399-Y401 PolarHBondContact O-N 2.72Å; D399-L402 PolarHBondContact O-N 2.86Å; D399-L402 VanDerWaalsContact O-N 3.12Å; D399-E403 WeakPolarHBondContact O-CG 3.34Å; D399-E403 PolarHBondContact O-N 3Å
400	H	83.1	Confident	69.6	Low	93 Å²	93	77.2 Å²	77.2	43%	0.431	45%	0.445	S	S	.	.	H	α-helix	trans	-57.9	-44.1	176.6	177.8	54.2	0	0	0	111.8	D396 V398 E403 T404	D396-H400 WeakPolarHBondContact O-CB 3.45Å; D396-H400 PolarHBondContact O-N 3.28Å; V398-H400 PolarHBondContact O-N 2.91Å; H400-E403 PolarHBondContact O-N 3.38Å; H400-T404 VanDerWaalsContact CE1-CG2 3.46Å; H400-T404 WeakPolarHBondContact CE1-CG2 3.37Å; H400-T404 WeakPolarHBondContact O-CG2 3.32Å; H400-T404 PolarHBondContact O-N 3.44Å; H400-T404 PolarHBondContact O-OG1 3.44Å; H400-T404 VanDerWaalsContact O-OG1 3.05Å
401	Y	85.4	Confident	71.8	Confident	4 Å²	4	78.3 Å²	78.3	2%	0.016	44%	0.436	C	S	.	.	H	α-helix	trans	-61.7	-44.2	175.3	164	-96.9	0	0	0	111.9	A397 V398 D399 T404 E410 H413 F414 A417 L476 T479 H480 R483	A397-Y401 WeakPolarHBondContact O-CB 3.45Å; A397-Y401 PolarHBondContact O-N 2.98Å; A397-Y401 VanDerWaalsContact O-N 3.16Å; V398-Y401 WeakPolarHBondContact O-CB 3.32Å; V398-Y401 PolarHBondContact O-N 3.29Å; D399-Y401 VanDerWaalsContact C-N 3.33Å; D399-Y401 PolarHBondContact O-N 2.72Å; Y401-T404 WeakPolarHBondContact CA-OG1 3.38Å; Y401-T404 PolarHBondContact O-N 3.28Å; Y401-T404 PolarHBondContact O-OG1 3.01Å; Y401-E410 PolarHBondContact OH-OE1 2.94Å; Y401-H413 HydrophobicContact CD2-CB 4Å; Y401-H413 HydrophobicContact CE2-CB 4.46Å; Y401-F414 HydrophobicContact CE2-CB 4.07Å; Y401-A417 HydrophobicContact CD1-CB 4.28Å; Y401-A417 HydrophobicContact CG-CB 3.94Å; Y401-L476 HydrophobicContact CD1-CD1 3.36Å; Y401-L476 HydrophobicContact CE1-CD1 3.46Å; Y401-L476 VanDerWaalsContact CE1-CD1 3.46Å; Y401-L476 HydrophobicContact CE1-CG 4.4Å; Y401-L476 HydrophobicContact CG-CD1 4.31Å; Y401-T479 HydrophobicContact CE1-CG2 4.14Å; Y401-H480 WeakPolarHBondContact OH-CA 3.43Å; Y401-H480 VanDerWaalsContact OH-CB 3.25Å; Y401-H480 WeakPolarHBondContact OH-CB 3.49Å; Y401-H480 PolarHBondContact OH-N 3.36Å; Y401-R483 VanDerWaalsContact CE2-NH1 3.32Å; Y401-R483 VanDerWaalsContact O-CZ 3.3Å; Y401-R483 PolarHBondContact O-NH1 3.46Å; Y401-R483 PolarHBondContact O-NH2 2.88Å
402	L	85.1	Confident	74.5	Confident	52 Å²	52	71.1 Å²	71.1	27%	0.272	41%	0.412	S	S	.	.	H	α-helix	trans	-64	-39	178.5	-68	175.9	0	0	0	112.3	V398 D399 T479 R483	V398-L402 HydrophobicContact CG1-CD1 4.09Å; V398-L402 HydrophobicContact CG1-CG 4.45Å; V398-L402 VanDerWaalsContact O-CG 3.32Å; V398-L402 WeakPolarHBondContact O-CG 3.26Å; V398-L402 PolarHBondContact O-N 3.24Å; D399-L402 PolarHBondContact O-N 2.86Å; D399-L402 VanDerWaalsContact O-N 3.12Å; L402-T479 HydrophobicContact CD2-CG2 3.92Å; L402-R483 PolarHBondContact O-NH2 2.93Å; L402-R483 VanDerWaalsContact O-NH2 3.08Å
403	E	82.8	Confident	76.8	Confident	156 Å²	156	68.7 Å²	68.7	73%	0.729	39%	0.391	S	S	*	.	H	α-helix	trans	-72.9	-37.7	176.8	-71.7	-179.7	167.6	0	0	113.5	D399 H400	D399-E403 WeakPolarHBondContact O-CG 3.34Å; D399-E403 PolarHBondContact O-N 3Å; H400-E403 PolarHBondContact O-N 3.38Å
404	T	78.4	Confident	79	Confident	34 Å²	34	64.9 Å²	64.9	21%	0.209	36%	0.361	C	S	.	.	S	Bend	trans	-65.1	138.2	179.1	48.1	0	0	0	0	112	H400 Y401 R483	H400-T404 VanDerWaalsContact CE1-CG2 3.46Å; H400-T404 WeakPolarHBondContact CE1-CG2 3.37Å; H400-T404 WeakPolarHBondContact O-CG2 3.32Å; H400-T404 PolarHBondContact O-N 3.44Å; H400-T404 PolarHBondContact O-OG1 3.44Å; H400-T404 VanDerWaalsContact O-OG1 3.05Å; Y401-T404 WeakPolarHBondContact CA-OG1 3.38Å; Y401-T404 PolarHBondContact O-N 3.28Å; Y401-T404 PolarHBondContact O-OG1 3.01Å; T404-R483 VanDerWaalsContact O-CZ 3.31Å; T404-R483 PolarHBondContact O-NH1 3.38Å; T404-R483 PolarHBondContact O-NH2 3.49Å
405	P	78.9	Confident	80.9	Confident	98 Å²	98	64.1 Å²	64.1	64%	0.636	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-66.8	153.2	170.5	30.5	-35.3	0	0	0	110.9	D407	P405-D407 PolarHBondContact O-N 3.3Å
406	A	79.1	Confident	82.4	Confident	43 Å²	43	66.7 Å²	66.7	36%	0.355	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-64.1	133	175.7	0	0	0	0	0	111.2	R483 L487	A406-R483 HydrophobicContact CB-CB 4Å; A406-R483 HydrophobicContact CB-CG 3.93Å; A406-L487 HydrophobicContact CB-CD1 4.26Å; A406-L487 HydrophobicContact CB-CG 4.44Å
407	D	78.3	Confident	83.3	Confident	69 Å²	69	65.4 Å²	65.4	37%	0.369	34%	0.342	S	S	.	.			trans	-126.2	-171.9	-178.7	82.4	-20.3	0	0	0	112.2	P405 N409 E410 H413 L487	P405-D407 PolarHBondContact O-N 3.3Å; D407-N409 PolarHBondContact O-N 2.91Å; D407-N409 VanDerWaalsContact OD1-C 3.28Å; D407-N409 WeakPolarHBondContact OD1-CA 3.44Å; D407-N409 PolarHBondContact OD1-N 3.36Å; D407-E410 PolarHBondContact OD1-N 2.84Å; D407-H413 IonicContact OD1-CD2 3.59Å; D407-H413 IonicContact OD2-NE2 3.67Å; D407-L487 VanDerWaalsContact O-CD1 3.27Å; D407-L487 WeakPolarHBondContact O-CD1 3.42Å
408	E	73.8	Confident	84.1	Confident	151 Å²	151	68.3 Å²	68.3	71%	0.706	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-21	178.4	-71.3	-114.9	99.1	0	0	113.5	R491	E408-R491 VanDerWaalsContact CD-NH2 3.35Å; E408-R491 PolarHBondContact O-NH2 3.05Å; E408-R491 IonicContact OE1-CZ 2.79Å; E408-R491 VanDerWaalsContact OE1-CZ 3.3Å; E408-R491 IonicContact OE1-NE 3.06Å; E408-R491 PolarHBondContact OE1-NE 3.41Å; E408-R491 IonicContact OE1-NH2 3.62Å; E408-R491 PolarHBondContact OE1-NH2 2.89Å
409	N	84.6	Confident	84.7	Confident	88 Å²	88	73.2 Å²	73.2	47%	0.471	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	1.7	-170.9	-165.3	47.9	0	0	0	113.6	D407 H411 A412 H413	D407-N409 PolarHBondContact O-N 2.91Å; D407-N409 VanDerWaalsContact OD1-C 3.28Å; D407-N409 WeakPolarHBondContact OD1-CA 3.44Å; D407-N409 PolarHBondContact OD1-N 3.36Å; N409-H411 PolarHBondContact O-N 3.16Å; N409-A412 WeakPolarHBondContact O-CB 3.12Å; N409-A412 PolarHBondContact O-N 3.49Å; N409-H413 PolarHBondContact ND2-CD2 3.01Å; N409-H413 PolarHBondContact ND2-NE2 2.84Å; N409-H413 VanDerWaalsContact ND2-NE2 3.2Å; N409-H413 PolarHBondContact O-CD2 2.87Å
410	E	87.8	Confident	85.1	Confident	4 Å²	4	71.2 Å²	71.2	2%	0.019	36%	0.364	C	S	.	.	H	α-helix	trans	-31.8	-36.7	179.1	164.1	62.3	-155.1	0	0	115.8	Y401 D407 H413 F414 H480 R483 V484 L487	Y401-E410 PolarHBondContact OH-OE1 2.94Å; D407-E410 PolarHBondContact OD1-N 2.84Å; E410-H413 PolarHBondContact O-N 3.24Å; E410-F414 WeakPolarHBondContact O-CB 3.41Å; E410-F414 PolarHBondContact O-N 3.26Å; E410-H480 IonicContact OE1-CE1 3.51Å; E410-H480 IonicContact OE1-CG 3.91Å; E410-H480 IonicContact OE1-ND1 2.78Å; E410-H480 PolarHBondContact OE1-ND1 3.03Å; E410-R483 VanDerWaalsContact CD-CD 3.45Å; E410-R483 HydrophobicContact CG-CB 4.21Å; E410-R483 WeakPolarHBondContact OE1-CD 3.44Å; E410-R483 WeakPolarHBondContact OE2-CD 2.96Å; E410-R483 IonicContact OE2-CZ 3.68Å; E410-R483 IonicContact OE2-NE 2.73Å; E410-R483 IonicContact OE2-NH1 3.24Å; E410-R483 PolarHBondContact OE2-NH1 2.85Å; E410-R483 VanDerWaalsContact OE2-NH1 3.07Å; E410-V484 HydrophobicContact CG-CG2 4.24Å; E410-L487 HydrophobicContact CB-CD1 3.8Å; E410-L487 HydrophobicContact CG-CD1 3.89Å
411	H	85.9	Confident	85.5	Confident	105 Å²	105	66.9 Å²	66.9	49%	0.486	34%	0.344	S	S	.	.	H	α-helix	trans	-68.4	-36.7	176.9	-165.8	60.8	0	0	0	114.2	N409 Q415 H480	N409-H411 PolarHBondContact O-N 3.16Å; H411-Q415 PolarHBondContact CD2-NE2 3.15Å; H411-Q415 PolarHBondContact NE2-NE2 3.42Å; H411-Q415 VanDerWaalsContact O-CG 3.32Å; H411-Q415 WeakPolarHBondContact O-CG 3.22Å; H411-Q415 PolarHBondContact O-N 3.32Å; H411-H480 AromaticContact ND1-CE1 3.76Å; H411-H480 AromaticContact ND1-NE2 3.23Å; H411-H480 PolarHBondContact ND1-NE2 2.98Å
412	A	87	Confident	85.6	Confident	41 Å²	41	69 Å²	69	34%	0.339	35%	0.354	S	S	.	.	H	α-helix	trans	-71	-35.8	174.2	0	0	0	0	0	111.5	N409 Q415 K416	N409-A412 WeakPolarHBondContact O-CB 3.12Å; N409-A412 PolarHBondContact O-N 3.49Å; A412-Q415 PolarHBondContact O-N 2.99Å; A412-K416 WeakPolarHBondContact O-CB 3.18Å; A412-K416 PolarHBondContact O-N 3.06Å
413	H	87.5	Confident	85.9	Confident	65 Å²	65	68.5 Å²	68.5	30%	0.301	36%	0.358	S	S	.	.	H	α-helix	trans	-65.5	-42.4	173.8	-67.8	-88.3	0	0	0	111.3	Y401 D407 N409 E410 A417	Y401-H413 HydrophobicContact CD2-CB 4Å; Y401-H413 HydrophobicContact CE2-CB 4.46Å; D407-H413 IonicContact OD1-CD2 3.59Å; D407-H413 IonicContact OD2-NE2 3.67Å; N409-H413 PolarHBondContact ND2-CD2 3.01Å; N409-H413 PolarHBondContact ND2-NE2 2.84Å; N409-H413 VanDerWaalsContact ND2-NE2 3.2Å; N409-H413 PolarHBondContact O-CD2 2.87Å; E410-H413 PolarHBondContact O-N 3.24Å; H413-A417 WeakPolarHBondContact O-CB 3.35Å; H413-A417 PolarHBondContact O-N 3.3Å
414	F	89.8	Confident	86.1	Confident	25 Å²	25	63.2 Å²	63.2	11%	0.11	33%	0.333	C	S	.	.	H	α-helix	trans	-62.4	-44.8	171.6	168.5	-104.9	0	0	0	113.2	Y401 E410 A417 K418 L476 V477 H480	Y401-F414 HydrophobicContact CE2-CB 4.07Å; E410-F414 WeakPolarHBondContact O-CB 3.41Å; E410-F414 PolarHBondContact O-N 3.26Å; F414-A417 PolarHBondContact O-N 2.81Å; F414-K418 VanDerWaalsContact O-CB 3.26Å; F414-K418 WeakPolarHBondContact O-CB 3.34Å; F414-K418 PolarHBondContact O-N 2.96Å; F414-L476 HydrophobicContact CD2-CD2 4.25Å; F414-L476 HydrophobicContact CD2-CG 4.02Å; F414-L476 HydrophobicContact CE2-CD2 4.03Å; F414-L476 HydrophobicContact CE2-CG 3.93Å; F414-V477 HydrophobicContact CE2-CG2 4.17Å; F414-V477 HydrophobicContact CZ-CG2 4.11Å; F414-H480 HydrophobicContact CB-CB 4.44Å; F414-H480 WeakPolarHBondContact CB-ND1 3.49Å; F414-H480 AromaticContact CD1-CD2 3.36Å; F414-H480 WeakPolarHBondContact CD1-CD2 3.16Å; F414-H480 AromaticContact CD1-CE1 3.95Å; F414-H480 AromaticContact CD1-CG 3.86Å; F414-H480 AromaticContact CD1-NE2 3.44Å; F414-H480 WeakPolarHBondContact CD1-NE2 3.4Å; F414-H480 HydrophobicContact CD2-CB 3.45Å; F414-H480 VanDerWaalsContact CD2-CB 3.45Å; F414-H480 AromaticContact CD2-CD2 3.77Å; F414-H480 AromaticContact CD2-CG 3.48Å; F414-H480 VanDerWaalsContact CD2-CG 3.48Å; F414-H480 AromaticContact CE1-CD2 3.63Å; F414-H480 HydrophobicContact CE2-CB 3.75Å; F414-H480 AromaticContact CE2-CG 3.99Å; F414-H480 HydrophobicContact CG-CB 3.94Å; F414-H480 AromaticContact CG-CD2 3.43Å; F414-H480 VanDerWaalsContact CG-CD2 3.43Å; F414-H480 WeakPolarHBondContact CG-CD2 3.36Å; F414-H480 AromaticContact CG-CE1 3.78Å; F414-H480 AromaticContact CG-CG 3.39Å; F414-H480 AromaticContact CG-ND1 3.62Å; F414-H480 AromaticContact CG-NE2 3.69Å; F414-H480 HydrophobicContact CZ-CB 4.48Å; F414-H480 AromaticContact CZ-CD2 3.94Å
415	Q	88.7	Confident	86.7	Confident	86 Å²	86	63.1 Å²	63.1	40%	0.402	33%	0.33	S	S	.	.	H	α-helix	trans	-57.3	-51.1	176	-77	176.7	6.6	0	0	111	H411 A412 A417 K418 E419	H411-Q415 PolarHBondContact CD2-NE2 3.15Å; H411-Q415 PolarHBondContact NE2-NE2 3.42Å; H411-Q415 VanDerWaalsContact O-CG 3.32Å; H411-Q415 WeakPolarHBondContact O-CG 3.22Å; H411-Q415 PolarHBondContact O-N 3.32Å; A412-Q415 PolarHBondContact O-N 2.99Å; Q415-A417 PolarHBondContact O-N 3.06Å; Q415-K418 WeakPolarHBondContact O-CB 3.44Å; Q415-K418 PolarHBondContact O-N 2.79Å; Q415-E419 WeakPolarHBondContact O-CB 3.38Å; Q415-E419 WeakPolarHBondContact O-CG 3.29Å; Q415-E419 PolarHBondContact O-N 2.73Å
416	K	90	Very high	87.4	Confident	143 Å²	143	65.7 Å²	65.7	62%	0.622	33%	0.327	S	S	*	.	H	α-helix	trans	-60.3	-42.1	178.1	-174.6	178.9	-179.6	-178.4	0	112.9	A412 S420	A412-K416 WeakPolarHBondContact O-CB 3.18Å; A412-K416 PolarHBondContact O-N 3.06Å; K416-S420 WeakPolarHBondContact O-CB 3.25Å; K416-S420 PolarHBondContact O-N 2.69Å
417	A	90.2	Very high	88	Confident	1 Å²	1	70.4 Å²	70.4	1%	0.008	34%	0.342	C	S	.	.	H	α-helix	trans	-65.4	-40.6	176.2	0	0	0	0	0	111.9	A397 Y401 H413 F414 Q415 L421 L476	A397-A417 WeakPolarHBondContact O-CB 3.46Å; Y401-A417 HydrophobicContact CD1-CB 4.28Å; Y401-A417 HydrophobicContact CG-CB 3.94Å; H413-A417 WeakPolarHBondContact O-CB 3.35Å; H413-A417 PolarHBondContact O-N 3.3Å; F414-A417 PolarHBondContact O-N 2.81Å; Q415-A417 PolarHBondContact O-N 3.06Å; A417-L421 WeakPolarHBondContact O-CB 3.27Å; A417-L421 PolarHBondContact O-N 3.01Å; A417-L476 HydrophobicContact CB-CD1 3.81Å; A417-L476 HydrophobicContact CB-CD2 4.34Å
418	K	90.6	Very high	88.6	Confident	85 Å²	85	71.1 Å²	71.1	37%	0.37	34%	0.339	S	S	.	.	H	α-helix	trans	-64.7	-46	176.4	-175.6	-153.7	163.3	-147.4	0	111.5	F414 Q415 L421 E422 L476	F414-K418 VanDerWaalsContact O-CB 3.26Å; F414-K418 WeakPolarHBondContact O-CB 3.34Å; F414-K418 PolarHBondContact O-N 2.96Å; Q415-K418 WeakPolarHBondContact O-CB 3.44Å; Q415-K418 PolarHBondContact O-N 2.79Å; K418-L421 PolarHBondContact O-N 3.3Å; K418-E422 VanDerWaalsContact CE-CD 3.49Å; K418-E422 WeakPolarHBondContact CE-OE1 3.27Å; K418-E422 IonicContact NZ-OE1 2.76Å; K418-E422 IonicContact NZ-OE2 2.8Å; K418-E422 WeakPolarHBondContact O-CB 3.32Å; K418-E422 WeakPolarHBondContact O-CG 3.46Å; K418-E422 PolarHBondContact O-N 3.06Å; K418-L476 HydrophobicContact CB-CD2 3.86Å; K418-L476 HydrophobicContact CG-CD2 4.5Å
419	E	90.8	Very high	89.6	Confident	114 Å²	114	65.5 Å²	65.5	53%	0.533	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-43.7	177.6	-74.7	164.9	-167.2	0	0	111.8	Q415 E422 A423	Q415-E419 WeakPolarHBondContact O-CB 3.38Å; Q415-E419 WeakPolarHBondContact O-CG 3.29Å; Q415-E419 PolarHBondContact O-N 2.73Å; E419-E422 PolarHBondContact O-N 3.09Å; E419-A423 WeakPolarHBondContact O-CB 3.4Å; E419-A423 PolarHBondContact O-N 3.41Å
420	S	90.2	Very high	90	Very high	39 Å²	39	65 Å²	65	27%	0.273	32%	0.316	S	S	.	.	H	α-helix	trans	-59.2	-46.8	173.3	-172.6	0	0	0	0	111.8	K416 E422 A423 K424	K416-S420 WeakPolarHBondContact O-CB 3.25Å; K416-S420 PolarHBondContact O-N 2.69Å; S420-E422 PolarHBondContact O-N 3Å; S420-A423 PolarHBondContact O-N 3.46Å; S420-K424 WeakPolarHBondContact O-CB 3.26Å; S420-K424 PolarHBondContact O-N 3.13Å
421	L	89.9	Confident	90.4	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-63.1	-41.7	177.7	-179.9	57.8	0	0	0	112.5	V398 A417 K418 K424 H425 E472 R473 L476	V398-L421 HydrophobicContact CG2-CB 3.81Å; V398-L421 HydrophobicContact CG2-CD1 4.34Å; V398-L421 HydrophobicContact CG2-CD2 4.45Å; V398-L421 HydrophobicContact CG2-CG 4.42Å; A417-L421 WeakPolarHBondContact O-CB 3.27Å; A417-L421 PolarHBondContact O-N 3.01Å; K418-L421 PolarHBondContact O-N 3.3Å; L421-K424 HydrophobicContact CD1-CD 4.46Å; L421-H425 WeakPolarHBondContact O-CB 3.46Å; L421-H425 PolarHBondContact O-N 3.11Å; L421-E472 HydrophobicContact CD1-CB 3.71Å; L421-E472 HydrophobicContact CD1-CG 4.25Å; L421-E472 WeakPolarHBondContact CD1-OE2 3.45Å; L421-E472 HydrophobicContact CD2-CB 3.89Å; L421-E472 HydrophobicContact CG-CB 4.42Å; L421-R473 HydrophobicContact CD2-CB 4.36Å; L421-R473 HydrophobicContact CD2-CG 3.72Å; L421-R473 HydrophobicContact CG-CG 4.37Å; L421-L476 HydrophobicContact CD2-CD2 4.18Å
422	E	89.2	Confident	90.8	Very high	48 Å²	48	64.5 Å²	64.5	22%	0.224	31%	0.314	C	S	.	.	H	α-helix	trans	-68.9	-37	176.6	-74.4	179.1	172.2	0	0	112.1	K418 E419 S420 R426 R473	K418-E422 VanDerWaalsContact CE-CD 3.49Å; K418-E422 WeakPolarHBondContact CE-OE1 3.27Å; K418-E422 IonicContact NZ-OE1 2.76Å; K418-E422 IonicContact NZ-OE2 2.8Å; K418-E422 WeakPolarHBondContact O-CB 3.32Å; K418-E422 WeakPolarHBondContact O-CG 3.46Å; K418-E422 PolarHBondContact O-N 3.06Å; E419-E422 PolarHBondContact O-N 3.09Å; S420-E422 PolarHBondContact O-N 3Å; E422-R426 WeakPolarHBondContact O-CG 3.29Å; E422-R426 PolarHBondContact O-N 3.07Å; E422-R473 IonicContact OE1-NE 3.7Å
423	A	90	Very high	91	Very high	43 Å²	43	66.9 Å²	66.9	36%	0.355	32%	0.32	S	S	.	.	H	α-helix	trans	-65.1	-50	172.7	0	0	0	0	0	112.2	E419 S420 H425 R426 E427	E419-A423 WeakPolarHBondContact O-CB 3.4Å; E419-A423 PolarHBondContact O-N 3.41Å; S420-A423 PolarHBondContact O-N 3.46Å; A423-H425 VanDerWaalsContact C-N 3.27Å; A423-H425 PolarHBondContact O-N 2.95Å; A423-R426 PolarHBondContact O-N 3.17Å; A423-R426 VanDerWaalsContact O-N 3.09Å; A423-E427 PolarHBondContact O-N 3.07Å
424	K	88.3	Confident	91.4	Very high	45 Å²	45	70.3 Å²	70.3	20%	0.196	33%	0.33	C	S	.	.	H	α-helix	trans	-53.7	-41.7	174.1	177.1	-171	177.9	-169	0	111.8	D396 S420 L421 R428 E472	D396-K424 WeakPolarHBondContact OD2-CD 3.32Å; D396-K424 VanDerWaalsContact OD2-CE 3.25Å; D396-K424 WeakPolarHBondContact OD2-CE 3.19Å; D396-K424 IonicContact OD2-NZ 2.68Å; D396-K424 PolarHBondContact OD2-NZ 2.83Å; S420-K424 WeakPolarHBondContact O-CB 3.26Å; S420-K424 PolarHBondContact O-N 3.13Å; L421-K424 HydrophobicContact CD1-CD 4.46Å; K424-R428 WeakPolarHBondContact O-CB 3.04Å; K424-R428 VanDerWaalsContact O-CG 3.28Å; K424-R428 WeakPolarHBondContact O-CG 3.34Å; K424-R428 PolarHBondContact O-N 3.25Å; K424-E472 IonicContact NZ-OE1 3.78Å; K424-E472 PolarHBondContact NZ-OE1 3.3Å
425	H	90.4	Very high	91.6	Very high	32 Å²	32	71.7 Å²	71.7	15%	0.148	34%	0.337	C	S	.	.	H	α-helix	trans	-69.1	-44.2	174.8	176.9	72.6	0	0	0	112.8	L421 A423 E427 R428 M429 A469 R473	L421-H425 WeakPolarHBondContact O-CB 3.46Å; L421-H425 PolarHBondContact O-N 3.11Å; A423-H425 VanDerWaalsContact C-N 3.27Å; A423-H425 PolarHBondContact O-N 2.95Å; H425-E427 VanDerWaalsContact C-N 3.33Å; H425-E427 PolarHBondContact O-N 3.17Å; H425-R428 PolarHBondContact O-N 3.14Å; H425-M429 VanDerWaalsContact O-CB 3.29Å; H425-M429 WeakPolarHBondContact O-CB 3.36Å; H425-M429 PolarHBondContact O-N 2.84Å; H425-A469 HydrophobicContact CB-CB 4.18Å; H425-A469 WeakPolarHBondContact ND1-CB 3.44Å; H425-R473 PolarHBondContact CD2-NH2 3.48Å
426	R	92.7	Very high	91.8	Very high	152 Å²	152	71.9 Å²	71.9	57%	0.574	33%	0.334	S	S	*	.	H	α-helix	trans	-59.3	-42.2	175.2	-76.4	-171.7	-61.4	-110.6	3.4	111.8	E422 A423 S430	E422-R426 WeakPolarHBondContact O-CG 3.29Å; E422-R426 PolarHBondContact O-N 3.07Å; A423-R426 PolarHBondContact O-N 3.17Å; A423-R426 VanDerWaalsContact O-N 3.09Å; R426-S430 VanDerWaalsContact O-CB 3.3Å; R426-S430 WeakPolarHBondContact O-CB 3.39Å; R426-S430 PolarHBondContact O-N 3.35Å; R426-S430 PolarHBondContact O-OG 3.28Å
427	E	92.8	Very high	91.9	Very high	142 Å²	142	70 Å²	70	66%	0.664	33%	0.328	S	S	*	.	H	α-helix	trans	-64.3	-53.7	177.2	-174.8	-176.7	-163	0	0	111.5	A423 H425 M429 S430 Q431	A423-E427 PolarHBondContact O-N 3.07Å; H425-E427 VanDerWaalsContact C-N 3.33Å; H425-E427 PolarHBondContact O-N 3.17Å; E427-M429 VanDerWaalsContact C-N 3.3Å; E427-M429 PolarHBondContact O-N 3.36Å; E427-S430 PolarHBondContact O-N 2.96Å; E427-S430 VanDerWaalsContact O-N 3.14Å; E427-Q431 PolarHBondContact O-N 3.15Å
428	R	91.3	Very high	92.1	Very high	84 Å²	84	73.5 Å²	73.5	32%	0.317	34%	0.344	S	S	.	.	H	α-helix	trans	-55.8	-44	177.3	-75.8	174.6	170.7	-158.9	2	112	K424 H425 Q431 V432 E468	K424-R428 WeakPolarHBondContact O-CB 3.04Å; K424-R428 VanDerWaalsContact O-CG 3.28Å; K424-R428 WeakPolarHBondContact O-CG 3.34Å; K424-R428 PolarHBondContact O-N 3.25Å; H425-R428 PolarHBondContact O-N 3.14Å; R428-Q431 PolarHBondContact O-N 2.96Å; R428-V432 WeakPolarHBondContact O-CG2 3.01Å; R428-V432 PolarHBondContact O-N 3.37Å; R428-V432 VanDerWaalsContact O-N 3.13Å; R428-E468 IonicContact CZ-OE1 3.26Å; R428-E468 IonicContact NH1-OE1 2.62Å; R428-E468 PolarHBondContact NH1-OE1 3.04Å; R428-E468 IonicContact NH1-OE2 3.22Å; R428-E468 PolarHBondContact NH1-OE2 2.82Å; R428-E468 IonicContact NH2-OE1 3.83Å
429	M	93.7	Very high	92	Very high	32 Å²	32	70.6 Å²	70.6	16%	0.158	34%	0.335	C	S	.	.	H	α-helix	trans	-65	-44.7	177.4	-170.5	59.9	74.4	0	0	111.3	H425 E427 Q431 V432 M433 V462 L465 E466	H425-M429 VanDerWaalsContact O-CB 3.29Å; H425-M429 WeakPolarHBondContact O-CB 3.36Å; H425-M429 PolarHBondContact O-N 2.84Å; E427-M429 VanDerWaalsContact C-N 3.3Å; E427-M429 PolarHBondContact O-N 3.36Å; M429-Q431 VanDerWaalsContact C-N 3.33Å; M429-Q431 PolarHBondContact O-N 3.49Å; M429-V432 PolarHBondContact O-N 3.23Å; M429-V432 VanDerWaalsContact O-N 3.09Å; M429-M433 HydrophobicContact CG-CG 4.46Å; M429-M433 WeakPolarHBondContact O-CG 3.49Å; M429-M433 PolarHBondContact O-N 3.41Å; M429-V462 HydrophobicContact CE-CG1 4.1Å; M429-V462 HydrophobicContact SD-CG1 4.18Å; M429-V462 HydrophobicContact SD-CG2 4.2Å; M429-L465 HydrophobicContact CE-CB 4.28Å; M429-E466 HydrophobicContact CE-CG 3.9Å
430	S	94.2	Very high	92	Very high	77 Å²	77	68.3 Å²	68.3	54%	0.538	32%	0.324	S	S	.	.	H	α-helix	trans	-61.4	-38.8	177.5	-59.2	0	0	0	0	112.4	R426 E427 M433 R434	R426-S430 VanDerWaalsContact O-CB 3.3Å; R426-S430 WeakPolarHBondContact O-CB 3.39Å; R426-S430 PolarHBondContact O-N 3.35Å; R426-S430 PolarHBondContact O-OG 3.28Å; E427-S430 PolarHBondContact O-N 2.96Å; E427-S430 VanDerWaalsContact O-N 3.14Å; S430-M433 PolarHBondContact O-N 2.93Å; S430-R434 PolarHBondContact O-N 2.83Å
431	Q	94.8	Very high	91.9	Very high	95 Å²	95	72 Å²	72	44%	0.444	33%	0.333	S	S	.	.	H	α-helix	trans	-60	-46.9	171.4	-178.6	-175.4	-23.9	0	0	111.4	E427 R428 M429 M433 R434 E435	E427-Q431 PolarHBondContact O-N 3.15Å; R428-Q431 PolarHBondContact O-N 2.96Å; M429-Q431 VanDerWaalsContact C-N 3.33Å; M429-Q431 PolarHBondContact O-N 3.49Å; Q431-M433 PolarHBondContact O-N 2.81Å; Q431-R434 PolarHBondContact O-N 3.4Å; Q431-E435 HydrophobicContact CG-CG 4.49Å; Q431-E435 PolarHBondContact NE2-OE1 2.91Å; Q431-E435 WeakPolarHBondContact O-CG 3.41Å; Q431-E435 PolarHBondContact O-N 2.93Å
432	V	95	Very high	91.8	Very high	4 Å²	4	79.3 Å²	79.3	2%	0.024	37%	0.366	C	S	.	.	H	α-helix	trans	-65	-38.5	179.3	172.4	0	0	0	0	112.4	R428 M429 R434 E435 W436 F458 K461 V462 L465	R428-V432 WeakPolarHBondContact O-CG2 3.01Å; R428-V432 PolarHBondContact O-N 3.37Å; R428-V432 VanDerWaalsContact O-N 3.13Å; M429-V432 PolarHBondContact O-N 3.23Å; M429-V432 VanDerWaalsContact O-N 3.09Å; V432-R434 VanDerWaalsContact C-N 3.35Å; V432-E435 PolarHBondContact O-N 3.49Å; V432-W436 VanDerWaalsContact O-CB 3.31Å; V432-W436 WeakPolarHBondContact O-CB 3.31Å; V432-W436 PolarHBondContact O-N 2.83Å; V432-F458 HydrophobicContact CG1-CD1 4.13Å; V432-K461 HydrophobicContact CG1-CB 4.48Å; V432-K461 HydrophobicContact CG1-CD 3.97Å; V432-K461 HydrophobicContact CG1-CG 4.23Å; V432-K461 HydrophobicContact CG2-CD 3.72Å; V432-K461 VanDerWaalsContact CG2-CE 3.48Å; V432-K461 HydrophobicContact CG2-CG 4.16Å; V432-V462 HydrophobicContact CG1-CG2 3.9Å; V432-L465 HydrophobicContact CB-CD1 4.26Å; V432-L465 HydrophobicContact CG2-CD1 3.46Å; V432-L465 VanDerWaalsContact CG2-CD1 3.46Å
433	M	91.9	Very high	91.8	Very high	91 Å²	91	77.1 Å²	77.1	45%	0.448	36%	0.357	S	S	.	.	H	α-helix	trans	-63.8	-39.3	175	-67.9	-64.3	-70.8	0	0	111.8	M429 S430 Q431 W436 E437	M429-M433 HydrophobicContact CG-CG 4.46Å; M429-M433 WeakPolarHBondContact O-CG 3.49Å; M429-M433 PolarHBondContact O-N 3.41Å; S430-M433 PolarHBondContact O-N 2.93Å; Q431-M433 PolarHBondContact O-N 2.81Å; M433-W436 HydrophobicContact CE-CE3 4Å; M433-W436 HydrophobicContact CE-CZ3 3.9Å; M433-W436 PolarHBondContact O-N 2.8Å; M433-W436 HydrophobicContact SD-CE3 3.73Å; M433-W436 HydrophobicContact SD-CZ3 3.98Å; M433-E437 PolarHBondContact O-N 2.79Å
434	R	94.7	Very high	91.6	Very high	138 Å²	138	81.4 Å²	81.4	52%	0.521	37%	0.368	S	S	.	.	H	α-helix	trans	-67.9	-46.1	174.4	-175.5	174.5	59.6	73.5	-2.4	112.4	S430 Q431 V432 W436 E437 E438	S430-R434 PolarHBondContact O-N 2.83Å; Q431-R434 PolarHBondContact O-N 3.4Å; V432-R434 VanDerWaalsContact C-N 3.35Å; R434-W436 PolarHBondContact O-N 2.93Å; R434-E437 PolarHBondContact O-N 3.29Å; R434-E438 WeakPolarHBondContact CG-OE1 3.19Å; R434-E438 IonicContact CZ-OE1 3.99Å; R434-E438 IonicContact NH1-OE1 3.3Å; R434-E438 PolarHBondContact NH1-OE1 2.76Å; R434-E438 IonicContact NH1-OE2 2.66Å; R434-E438 WeakPolarHBondContact O-CB 3.43Å; R434-E438 WeakPolarHBondContact O-CG 3.19Å; R434-E438 PolarHBondContact O-N 2.04Å
435	E	94.4	Very high	91.5	Very high	54 Å²	54	86.4 Å²	86.4	25%	0.252	40%	0.396	S	S	.	.	H	α-helix	trans	-57.5	-36.8	172.9	-75.2	177.3	-156.4	0	0	111.8	Q431 V432 A439 F458 K461	Q431-E435 HydrophobicContact CG-CG 4.49Å; Q431-E435 PolarHBondContact NE2-OE1 2.91Å; Q431-E435 WeakPolarHBondContact O-CG 3.41Å; Q431-E435 PolarHBondContact O-N 2.93Å; V432-E435 PolarHBondContact O-N 3.49Å; E435-A439 VanDerWaalsContact O-CB 3.24Å; E435-A439 WeakPolarHBondContact O-CB 3.47Å; E435-A439 PolarHBondContact O-N 3.16Å; E435-F458 HydrophobicContact CB-CE1 3.78Å; E435-F458 HydrophobicContact CB-CZ 4.07Å; E435-F458 WeakPolarHBondContact O-CZ 3.48Å; E435-K461 IonicContact OE1-NZ 3.95Å; E435-K461 PolarHBondContact OE1-NZ 3.42Å; E435-K461 IonicContact OE2-NZ 2.67Å; E435-K461 PolarHBondContact OE2-NZ 2.85Å
436	W	93.3	Very high	91.5	Very high	90 Å²	90	89 Å²	89	34%	0.341	41%	0.411	S	S	.	.	H	α-helix	trans	-68.8	-44.9	177.8	179.7	25.7	0	0	0	112.1	V432 M433 R434 A439 E440 F458	V432-W436 VanDerWaalsContact O-CB 3.31Å; V432-W436 WeakPolarHBondContact O-CB 3.31Å; V432-W436 PolarHBondContact O-N 2.83Å; M433-W436 HydrophobicContact CE-CE3 4Å; M433-W436 HydrophobicContact CE-CZ3 3.9Å; M433-W436 PolarHBondContact O-N 2.8Å; M433-W436 HydrophobicContact SD-CE3 3.73Å; M433-W436 HydrophobicContact SD-CZ3 3.98Å; R434-W436 PolarHBondContact O-N 2.93Å; W436-A439 PolarHBondContact O-N 3.35Å; W436-E440 PolarHBondContact O-N 2.95Å; W436-F458 HydrophobicContact CB-CB 4.41Å; W436-F458 HydrophobicContact CB-CD1 3.6Å; W436-F458 HydrophobicContact CB-CD2 4.38Å; W436-F458 HydrophobicContact CB-CE1 3.89Å; W436-F458 HydrophobicContact CB-CG 3.87Å; W436-F458 HydrophobicContact CB-CZ 4.41Å; W436-F458 AromaticContact CD1-CD2 3.83Å; W436-F458 AromaticContact CD1-CG 3.78Å; W436-F458 HydrophobicContact CG-CB 4.04Å; W436-F458 HydrophobicContact CG-CD1 4.14Å; W436-F458 HydrophobicContact CG-CD2 4.34Å; W436-F458 AromaticContact CG-CG 3.91Å; W436-F458 HydrophobicContact CG-CG 3.91Å
437	E	92.2	Very high	91.5	Very high	104 Å²	104	85.6 Å²	85.6	49%	0.486	41%	0.408	S	S	.	.	H	α-helix	trans	-65.6	-40.7	178	-158.3	-108.1	119.3	0	0	111.3	M433 R434 E440 R441	M433-E437 PolarHBondContact O-N 2.79Å; R434-E437 PolarHBondContact O-N 3.29Å; E437-E440 PolarHBondContact O-N 3.31Å; E437-R441 WeakPolarHBondContact O-CB 3.4Å; E437-R441 PolarHBondContact O-N 3.36Å; E437-R441 IonicContact OE1-CZ 3.94Å; E437-R441 VanDerWaalsContact OE1-CZ 3.3Å; E437-R441 IonicContact OE1-NE 3.22Å; E437-R441 PolarHBondContact OE1-NE 3.45Å; E437-R441 IonicContact OE1-NH2 3.98Å; E437-R441 PolarHBondContact OE1-NH2 3.4Å; E437-R441 IonicContact OE2-CZ 3.17Å; E437-R441 IonicContact OE2-NH2 3.07Å; E437-R441 PolarHBondContact OE2-NH2 3.04Å
438	E	93.1	Very high	91.3	Very high	74 Å²	74	90.2 Å²	90.2	35%	0.346	42%	0.42	S	S	.	.	H	α-helix	trans	-57.6	-50.3	170.7	-73	172	-155.2	0	0	111.7	R434 R441 E442	R434-E438 WeakPolarHBondContact CG-OE1 3.19Å; R434-E438 IonicContact CZ-OE1 3.99Å; R434-E438 IonicContact NH1-OE1 3.3Å; R434-E438 PolarHBondContact NH1-OE1 2.76Å; R434-E438 IonicContact NH1-OE2 2.66Å; R434-E438 WeakPolarHBondContact O-CB 3.43Å; R434-E438 WeakPolarHBondContact O-CG 3.19Å; R434-E438 PolarHBondContact O-N 2.04Å; E438-R441 WeakPolarHBondContact O-CB 3.44Å; E438-R441 PolarHBondContact O-N 3.26Å; E438-R441 VanDerWaalsContact O-N 3.15Å; E438-E442 PolarHBondContact O-N 3.34Å; E438-E442 VanDerWaalsContact O-N 3.16Å
439	A	90.1	Very high	91.2	Very high	23 Å²	23	89.6 Å²	89.6	19%	0.19	43%	0.433	C	S	.	.	H	α-helix	trans	-68.3	-34.3	-179.8	0	0	0	0	0	113.7	E435 W436 R441 E442 A443 V454 F458	E435-A439 VanDerWaalsContact O-CB 3.24Å; E435-A439 WeakPolarHBondContact O-CB 3.47Å; E435-A439 PolarHBondContact O-N 3.16Å; W436-A439 PolarHBondContact O-N 3.35Å; A439-R441 VanDerWaalsContact C-N 3.32Å; A439-E442 PolarHBondContact O-N 3.08Å; A439-A443 WeakPolarHBondContact O-CB 3.37Å; A439-A443 PolarHBondContact O-N 3.44Å; A439-V454 HydrophobicContact CB-CG1 4.02Å; A439-F458 HydrophobicContact CB-CD2 4.42Å; A439-F458 HydrophobicContact CB-CE2 3.41Å; A439-F458 VanDerWaalsContact CB-CE2 3.41Å; A439-F458 HydrophobicContact CB-CZ 3.81Å
440	E	89.3	Confident	91.1	Very high	66 Å²	66	91.7 Å²	91.7	31%	0.308	44%	0.444	S	S	.	.	H	α-helix	trans	-67.5	-35.8	170.9	178.8	164.7	-132.8	0	0	111.1	W436 E437 E442 A443 K444 K451	W436-E440 PolarHBondContact O-N 2.95Å; E437-E440 PolarHBondContact O-N 3.31Å; E440-E442 VanDerWaalsContact C-N 3.3Å; E440-E442 PolarHBondContact O-N 2.94Å; E440-A443 PolarHBondContact O-N 3.1Å; E440-K444 WeakPolarHBondContact O-CG 3.4Å; E440-K444 PolarHBondContact O-N 3.49Å; E440-K444 VanDerWaalsContact O-N 3.12Å; E440-K451 VanDerWaalsContact OE1-CE 3.27Å; E440-K451 WeakPolarHBondContact OE1-CE 3.31Å; E440-K451 IonicContact OE1-NZ 3.81Å; E440-K451 PolarHBondContact OE1-NZ 3.34Å
441	R	89.4	Confident	90.8	Very high	118 Å²	118	90.9 Å²	90.9	45%	0.445	43%	0.431	S	S	.	.	H	α-helix	trans	-58.1	-43	176.2	-147.6	178.5	-56.9	126.6	-7.4	111.4	E437 E438 A439	E437-R441 WeakPolarHBondContact O-CB 3.4Å; E437-R441 PolarHBondContact O-N 3.36Å; E437-R441 IonicContact OE1-CZ 3.94Å; E437-R441 VanDerWaalsContact OE1-CZ 3.3Å; E437-R441 IonicContact OE1-NE 3.22Å; E437-R441 PolarHBondContact OE1-NE 3.45Å; E437-R441 IonicContact OE1-NH2 3.98Å; E437-R441 PolarHBondContact OE1-NH2 3.4Å; E437-R441 IonicContact OE2-CZ 3.17Å; E437-R441 IonicContact OE2-NH2 3.07Å; E437-R441 PolarHBondContact OE2-NH2 3.04Å; E438-R441 WeakPolarHBondContact O-CB 3.44Å; E438-R441 PolarHBondContact O-N 3.26Å; E438-R441 VanDerWaalsContact O-N 3.15Å; A439-R441 VanDerWaalsContact C-N 3.32Å
442	E	87.8	Confident	90.6	Very high	153 Å²	153	93.5 Å²	93.5	72%	0.715	44%	0.441	S	S	*	.	H	α-helix	trans	-71	-44.5	173.1	-62.6	-166.8	155.3	0	0	112.5	E438 A439 E440 K444 N445	E438-E442 PolarHBondContact O-N 3.34Å; E438-E442 VanDerWaalsContact O-N 3.16Å; A439-E442 PolarHBondContact O-N 3.08Å; E440-E442 VanDerWaalsContact C-N 3.3Å; E440-E442 PolarHBondContact O-N 2.94Å; E442-K444 PolarHBondContact O-N 3.33Å; E442-N445 PolarHBondContact O-N 3.29Å; E442-N445 VanDerWaalsContact O-N 3.11Å
443	A	87.9	Confident	90.4	Very high	3 Å²	3	96.3 Å²	96.3	3%	0.025	47%	0.465	C	S	.	.	H	α-helix	trans	-64.6	-11	-177.5	0	0	0	0	0	114.6	A439 E440 N445 L446 K451 V454	A439-A443 WeakPolarHBondContact O-CB 3.37Å; A439-A443 PolarHBondContact O-N 3.44Å; E440-A443 PolarHBondContact O-N 3.1Å; A443-N445 PolarHBondContact O-N 2.92Å; A443-L446 HydrophobicContact CB-CD1 4.17Å; A443-L446 PolarHBondContact O-N 3.29Å; A443-L446 VanDerWaalsContact O-N 3.16Å; A443-K451 HydrophobicContact CB-CB 4.38Å; A443-K451 HydrophobicContact CB-CG 4.28Å; A443-V454 HydrophobicContact CB-CG1 4.5Å; A443-V454 HydrophobicContact CB-CG2 4.47Å
444	K	87.3	Confident	90.4	Very high	133 Å²	133	93.6 Å²	93.6	58%	0.578	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.7	168.9	-75.4	162	-168.6	169.6	0	113.1	E440 E442	E440-K444 WeakPolarHBondContact O-CG 3.4Å; E440-K444 PolarHBondContact O-N 3.49Å; E440-K444 VanDerWaalsContact O-N 3.12Å; E442-K444 PolarHBondContact O-N 3.33Å
445	N	85.9	Confident	90.2	Very high	150 Å²	150	89.7 Å²	89.7	80%	0.802	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-0.8	179	-64	-48.8	0	0	0	114.2	E442 A443	E442-N445 PolarHBondContact O-N 3.29Å; E442-N445 VanDerWaalsContact O-N 3.11Å; A443-N445 PolarHBondContact O-N 2.92Å
446	L	89.9	Confident	90.1	Very high	87 Å²	87	91.4 Å²	91.4	46%	0.455	45%	0.45	S	S	.	.	S	Bend	trans	-94.2	157.5	-173.7	-67.5	-179.1	0	0	0	113.5	A443 D450	A443-L446 HydrophobicContact CB-CD1 4.17Å; A443-L446 PolarHBondContact O-N 3.29Å; A443-L446 VanDerWaalsContact O-N 3.16Å; L446-D450 HydrophobicContact CB-CB 4.25Å; L446-D450 HydrophobicContact CD1-CB 4.23Å
447	P	92.1	Very high	90.1	Very high	80 Å²	80	95.5 Å²	95.5	52%	0.519	47%	0.465	S	S	.	.			trans	-54.2	150.9	166.6	-23.9	32.9	0	0	0	113.3	A449 D450 K451	P447-A449 PolarHBondContact O-N 3Å; P447-A449 VanDerWaalsContact O-N 3.1Å; P447-D450 WeakPolarHBondContact CB-OD2 3.47Å; P447-D450 VanDerWaalsContact CD-OD2 3.24Å; P447-D450 WeakPolarHBondContact CD-OD2 3.36Å; P447-D450 VanDerWaalsContact CG-OD2 3.25Å; P447-D450 WeakPolarHBondContact CG-OD2 3.46Å; P447-D450 PolarHBondContact O-N 3.48Å; P447-K451 PolarHBondContact O-N 3.31Å
448	R	88.4	Confident	90.2	Very high	238 Å²	238	91.3 Å²	91.3	90%	0.898	45%	0.445	S	S	*	.	H	α-helix	trans	-58.6	-27.5	-176.9	-174.2	177.2	179.2	-172.3	0.8	114.1	K452	R448-K452 PolarHBondContact O-N 3.2Å
449	A	90.3	Very high	90.3	Very high	72 Å²	72	92.7 Å²	92.7	60%	0.595	45%	0.452	S	S	*	.	H	α-helix	trans	-67.6	-49.6	175.3	0	0	0	0	0	111	P447 K452 A453	P447-A449 PolarHBondContact O-N 3Å; P447-A449 VanDerWaalsContact O-N 3.1Å; A449-K452 WeakPolarHBondContact O-CB 3.44Å; A449-K452 PolarHBondContact O-N 3.45Å; A449-K452 VanDerWaalsContact O-N 3.09Å; A449-A453 PolarHBondContact O-N 3.41Å
450	D	90.2	Very high	90.5	Very high	75 Å²	75	96.5 Å²	96.5	40%	0.401	47%	0.466	S	S	.	.	H	α-helix	trans	-69.6	-39.4	-176	-47.7	-44.7	0	0	0	110.9	L446 P447 K452 A453 V454	L446-D450 HydrophobicContact CB-CB 4.25Å; L446-D450 HydrophobicContact CD1-CB 4.23Å; P447-D450 WeakPolarHBondContact CB-OD2 3.47Å; P447-D450 VanDerWaalsContact CD-OD2 3.24Å; P447-D450 WeakPolarHBondContact CD-OD2 3.36Å; P447-D450 VanDerWaalsContact CG-OD2 3.25Å; P447-D450 WeakPolarHBondContact CG-OD2 3.46Å; P447-D450 PolarHBondContact O-N 3.48Å; D450-K452 VanDerWaalsContact C-N 3.27Å; D450-K452 PolarHBondContact O-N 2.84Å; D450-A453 WeakPolarHBondContact O-CB 3.36Å; D450-A453 PolarHBondContact O-N 2.86Å; D450-A453 VanDerWaalsContact O-N 3.09Å; D450-V454 WeakPolarHBondContact O-CG2 3Å; D450-V454 PolarHBondContact O-N 3.23Å
451	K	89.8	Confident	90.7	Very high	60 Å²	60	96.9 Å²	96.9	26%	0.261	47%	0.466	S	S	.	.	H	α-helix	trans	-59	-36.6	170.2	178.7	163.5	-179.1	165.9	0	112.5	E440 A443 P447 I455	E440-K451 VanDerWaalsContact OE1-CE 3.27Å; E440-K451 WeakPolarHBondContact OE1-CE 3.31Å; E440-K451 IonicContact OE1-NZ 3.81Å; E440-K451 PolarHBondContact OE1-NZ 3.34Å; A443-K451 HydrophobicContact CB-CB 4.38Å; A443-K451 HydrophobicContact CB-CG 4.28Å; P447-K451 PolarHBondContact O-N 3.31Å; K451-I455 HydrophobicContact CG-CD1 4.1Å; K451-I455 WeakPolarHBondContact O-CG1 3.29Å; K451-I455 PolarHBondContact O-N 3.47Å
452	K	90.1	Very high	91.1	Very high	151 Å²	151	92.6 Å²	92.6	66%	0.657	45%	0.453	S	S	*	.	H	α-helix	trans	-67.4	-40.5	174.4	-165.3	-166.6	174.1	-164.3	0	111.2	R448 A449 D450 I455 H456	R448-K452 PolarHBondContact O-N 3.2Å; A449-K452 WeakPolarHBondContact O-CB 3.44Å; A449-K452 PolarHBondContact O-N 3.45Å; A449-K452 VanDerWaalsContact O-N 3.09Å; D450-K452 VanDerWaalsContact C-N 3.27Å; D450-K452 PolarHBondContact O-N 2.84Å; K452-I455 PolarHBondContact O-N 3.18Å; K452-H456 WeakPolarHBondContact O-CB 3.49Å; K452-H456 PolarHBondContact O-N 2.93Å
453	A	91.3	Very high	91.3	Very high	62 Å²	62	91 Å²	91	51%	0.512	45%	0.446	S	S	.	.	H	α-helix	trans	-64.1	-39.4	177.8	0	0	0	0	0	112.4	A449 D450 H456 R457	A449-A453 PolarHBondContact O-N 3.41Å; D450-A453 WeakPolarHBondContact O-CB 3.36Å; D450-A453 PolarHBondContact O-N 2.86Å; D450-A453 VanDerWaalsContact O-N 3.09Å; A453-H456 PolarHBondContact O-N 3.36Å; A453-R457 WeakPolarHBondContact O-CB 3.5Å; A453-R457 PolarHBondContact O-N 2.88Å
454	V	91.1	Very high	91.6	Very high	34 Å²	34	93.4 Å²	93.4	21%	0.206	47%	0.466	C	S	.	.	H	α-helix	trans	-59.8	-51.7	173.1	172.3	0	0	0	0	110.9	A439 A443 D450 H456 R457 F458	A439-V454 HydrophobicContact CB-CG1 4.02Å; A443-V454 HydrophobicContact CB-CG1 4.5Å; A443-V454 HydrophobicContact CB-CG2 4.47Å; D450-V454 WeakPolarHBondContact O-CG2 3Å; D450-V454 PolarHBondContact O-N 3.23Å; V454-H456 VanDerWaalsContact C-N 3.35Å; V454-H456 PolarHBondContact O-N 2.85Å; V454-R457 PolarHBondContact O-N 2.91Å; V454-F458 HydrophobicContact CG1-CD2 4.04Å; V454-F458 HydrophobicContact CG1-CE2 4.09Å; V454-F458 WeakPolarHBondContact O-CD2 3.3Å; V454-F458 PolarHBondContact O-N 3.42Å
455	I	89.9	Confident	91.9	Very high	56 Å²	56	88.2 Å²	88.2	29%	0.287	44%	0.444	S	S	.	.	H	α-helix	trans	-59	-46.6	179.7	-66.1	165.5	0	0	0	110.9	K451 K452 R457 F458 Q459	K451-I455 HydrophobicContact CG-CD1 4.1Å; K451-I455 WeakPolarHBondContact O-CG1 3.29Å; K451-I455 PolarHBondContact O-N 3.47Å; K452-I455 PolarHBondContact O-N 3.18Å; I455-R457 VanDerWaalsContact C-N 3.35Å; I455-R457 PolarHBondContact O-N 3.21Å; I455-F458 PolarHBondContact O-N 3.41Å; I455-F458 VanDerWaalsContact O-N 3.14Å; I455-Q459 HydrophobicContact CG2-CG 4.39Å; I455-Q459 WeakPolarHBondContact O-CG 3.45Å; I455-Q459 PolarHBondContact O-N 3.31Å
456	H	93.3	Very high	92.1	Very high	90 Å²	90	86.3 Å²	86.3	42%	0.417	43%	0.431	S	S	.	.	H	α-helix	trans	-57.5	-45.8	179	-165	-79.4	0	0	0	112.1	K452 A453 V454 F458 Q459 E460	K452-H456 WeakPolarHBondContact O-CB 3.49Å; K452-H456 PolarHBondContact O-N 2.93Å; A453-H456 PolarHBondContact O-N 3.36Å; V454-H456 VanDerWaalsContact C-N 3.35Å; V454-H456 PolarHBondContact O-N 2.85Å; H456-F458 VanDerWaalsContact C-N 3.28Å; H456-F458 PolarHBondContact O-N 2.9Å; H456-Q459 WeakPolarHBondContact O-CB 3.33Å; H456-Q459 PolarHBondContact O-N 3.02Å; H456-E460 IonicContact CE1-OE1 2.61Å; H456-E460 PolarHBondContact CE1-OE1 3.26Å; H456-E460 VanDerWaalsContact CE1-OE1 3.26Å; H456-E460 IonicContact CE1-OE2 2.8Å; H456-E460 IonicContact CG-OE2 2.81Å; H456-E460 IonicContact ND1-OE1 3.02Å; H456-E460 PolarHBondContact ND1-OE1 2.93Å; H456-E460 IonicContact ND1-OE2 3.3Å; H456-E460 PolarHBondContact ND1-OE2 2.91Å; H456-E460 WeakPolarHBondContact O-CG 3.43Å; H456-E460 PolarHBondContact O-N 2.92Å
457	R	93.3	Very high	92.2	Very high	176 Å²	176	89.3 Å²	89.3	66%	0.664	44%	0.442	S	S	*	.	H	α-helix	trans	-60.6	-35.3	177.7	-178.6	-177.2	176	-140.4	-3.5	112.9	A453 V454 I455 K461	A453-R457 WeakPolarHBondContact O-CB 3.5Å; A453-R457 PolarHBondContact O-N 2.88Å; V454-R457 PolarHBondContact O-N 2.91Å; I455-R457 VanDerWaalsContact C-N 3.35Å; I455-R457 PolarHBondContact O-N 3.21Å; R457-K461 WeakPolarHBondContact O-CB 3.41Å; R457-K461 PolarHBondContact O-N 3.15Å
458	F	94.4	Very high	92.1	Very high	16 Å²	16	89 Å²	89	7%	0.07	43%	0.434	C	S	.	.	H	α-helix	trans	-77.1	-34.8	175.9	-81.4	-75.9	0	0	0	112.6	V432 E435 W436 A439 V454 I455 H456 K461 V462	V432-F458 HydrophobicContact CG1-CD1 4.13Å; E435-F458 HydrophobicContact CB-CE1 3.78Å; E435-F458 HydrophobicContact CB-CZ 4.07Å; E435-F458 WeakPolarHBondContact O-CZ 3.48Å; W436-F458 HydrophobicContact CB-CB 4.41Å; W436-F458 HydrophobicContact CB-CD1 3.6Å; W436-F458 HydrophobicContact CB-CD2 4.38Å; W436-F458 HydrophobicContact CB-CE1 3.89Å; W436-F458 HydrophobicContact CB-CG 3.87Å; W436-F458 HydrophobicContact CB-CZ 4.41Å; W436-F458 AromaticContact CD1-CD2 3.83Å; W436-F458 AromaticContact CD1-CG 3.78Å; W436-F458 HydrophobicContact CG-CB 4.04Å; W436-F458 HydrophobicContact CG-CD1 4.14Å; W436-F458 HydrophobicContact CG-CD2 4.34Å; W436-F458 AromaticContact CG-CG 3.91Å; W436-F458 HydrophobicContact CG-CG 3.91Å; A439-F458 HydrophobicContact CB-CD2 4.42Å; A439-F458 HydrophobicContact CB-CE2 3.41Å; A439-F458 VanDerWaalsContact CB-CE2 3.41Å; A439-F458 HydrophobicContact CB-CZ 3.81Å; V454-F458 HydrophobicContact CG1-CD2 4.04Å; V454-F458 HydrophobicContact CG1-CE2 4.09Å; V454-F458 WeakPolarHBondContact O-CD2 3.3Å; V454-F458 PolarHBondContact O-N 3.42Å; I455-F458 PolarHBondContact O-N 3.41Å; I455-F458 VanDerWaalsContact O-N 3.14Å; H456-F458 VanDerWaalsContact C-N 3.28Å; H456-F458 PolarHBondContact O-N 2.9Å; F458-K461 PolarHBondContact O-N 3.4Å; F458-V462 WeakPolarHBondContact O-CG2 3.36Å; F458-V462 PolarHBondContact O-N 3.07Å
459	Q	94	Very high	92.1	Very high	104 Å²	104	77.8 Å²	77.8	49%	0.486	39%	0.392	S	S	.	.	H	α-helix	trans	-59.8	-49.6	169.5	-65.7	-176.8	-91	0	0	110.8	I455 H456 K461 V462 E463	I455-Q459 HydrophobicContact CG2-CG 4.39Å; I455-Q459 WeakPolarHBondContact O-CG 3.45Å; I455-Q459 PolarHBondContact O-N 3.31Å; H456-Q459 WeakPolarHBondContact O-CB 3.33Å; H456-Q459 PolarHBondContact O-N 3.02Å; Q459-K461 VanDerWaalsContact C-N 3.28Å; Q459-K461 PolarHBondContact O-N 3.38Å; Q459-V462 PolarHBondContact O-N 2.94Å; Q459-E463 WeakPolarHBondContact O-CB 3.4Å; Q459-E463 WeakPolarHBondContact O-CG 3.02Å; Q459-E463 PolarHBondContact O-N 3.31Å
460	E	95.2	Very high	91.8	Very high	102 Å²	102	77 Å²	77	48%	0.477	39%	0.386	S	S	.	.	H	α-helix	trans	-58.7	-35.9	175	-70.6	168.5	127.4	0	0	112.5	H456 A464	H456-E460 IonicContact CE1-OE1 2.61Å; H456-E460 PolarHBondContact CE1-OE1 3.26Å; H456-E460 VanDerWaalsContact CE1-OE1 3.26Å; H456-E460 IonicContact CE1-OE2 2.8Å; H456-E460 IonicContact CG-OE2 2.81Å; H456-E460 IonicContact ND1-OE1 3.02Å; H456-E460 PolarHBondContact ND1-OE1 2.93Å; H456-E460 IonicContact ND1-OE2 3.3Å; H456-E460 PolarHBondContact ND1-OE2 2.91Å; H456-E460 WeakPolarHBondContact O-CG 3.43Å; H456-E460 PolarHBondContact O-N 2.92Å; E460-A464 VanDerWaalsContact O-CB 3.22Å; E460-A464 WeakPolarHBondContact O-CB 3.14Å; E460-A464 PolarHBondContact O-N 2.78Å; E460-A464 VanDerWaalsContact O-N 3.08Å
461	K	94.1	Very high	91.5	Very high	74 Å²	74	76.6 Å²	76.6	32%	0.322	39%	0.389	S	S	.	.	H	α-helix	trans	-71.6	-37	177.2	-164.1	-179.2	-174.1	-165.5	0	112.5	V432 E435 R457 F458 Q459 L465	V432-K461 HydrophobicContact CG1-CB 4.48Å; V432-K461 HydrophobicContact CG1-CD 3.97Å; V432-K461 HydrophobicContact CG1-CG 4.23Å; V432-K461 HydrophobicContact CG2-CD 3.72Å; V432-K461 VanDerWaalsContact CG2-CE 3.48Å; V432-K461 HydrophobicContact CG2-CG 4.16Å; E435-K461 IonicContact OE1-NZ 3.95Å; E435-K461 PolarHBondContact OE1-NZ 3.42Å; E435-K461 IonicContact OE2-NZ 2.67Å; E435-K461 PolarHBondContact OE2-NZ 2.85Å; R457-K461 WeakPolarHBondContact O-CB 3.41Å; R457-K461 PolarHBondContact O-N 3.15Å; F458-K461 PolarHBondContact O-N 3.4Å; Q459-K461 VanDerWaalsContact C-N 3.28Å; Q459-K461 PolarHBondContact O-N 3.38Å; K461-L465 WeakPolarHBondContact O-CG 3.49Å; K461-L465 PolarHBondContact O-N 2.86Å
462	V	96.1	Very high	91.3	Very high	28 Å²	28	75.4 Å²	75.4	17%	0.17	38%	0.384	C	S	.	.	H	α-helix	trans	-71.6	-50.2	176	170.8	0	0	0	0	110.5	M429 V432 F458 Q459 A464 L465 E466	M429-V462 HydrophobicContact CE-CG1 4.1Å; M429-V462 HydrophobicContact SD-CG1 4.18Å; M429-V462 HydrophobicContact SD-CG2 4.2Å; V432-V462 HydrophobicContact CG1-CG2 3.9Å; F458-V462 WeakPolarHBondContact O-CG2 3.36Å; F458-V462 PolarHBondContact O-N 3.07Å; Q459-V462 PolarHBondContact O-N 2.94Å; V462-A464 PolarHBondContact O-N 3.25Å; V462-L465 PolarHBondContact O-N 2.73Å; V462-E466 HydrophobicContact CG1-CG 4.32Å; V462-E466 WeakPolarHBondContact O-CG 3.3Å; V462-E466 PolarHBondContact O-N 2.78Å
463	E	94	Very high	91.2	Very high	119 Å²	119	71.8 Å²	71.8	56%	0.556	37%	0.366	S	S	*	.	H	α-helix	trans	-56.2	-39.5	177.5	-71.4	172.8	-163.2	0	0	111.6	Q459 Q467	Q459-E463 WeakPolarHBondContact O-CB 3.4Å; Q459-E463 WeakPolarHBondContact O-CG 3.02Å; Q459-E463 PolarHBondContact O-N 3.31Å; E463-Q467 WeakPolarHBondContact O-CB 3.44Å; E463-Q467 PolarHBondContact O-N 2.85Å
464	A	94	Very high	90.9	Very high	55 Å²	55	73.7 Å²	73.7	46%	0.455	36%	0.364	S	S	.	.	H	α-helix	trans	-66.1	-42.7	174.7	0	0	0	0	0	113.5	E460 V462 Q467 E468	E460-A464 VanDerWaalsContact O-CB 3.22Å; E460-A464 WeakPolarHBondContact O-CB 3.14Å; E460-A464 PolarHBondContact O-N 2.78Å; E460-A464 VanDerWaalsContact O-N 3.08Å; V462-A464 PolarHBondContact O-N 3.25Å; A464-Q467 PolarHBondContact O-N 2.68Å; A464-E468 WeakPolarHBondContact O-CB 3.47Å; A464-E468 PolarHBondContact O-N 3.22Å
465	L	92.4	Very high	90.6	Very high	23 Å²	23	77.2 Å²	77.2	12%	0.12	38%	0.379	C	S	.	.	H	α-helix	trans	-71.3	-32.8	178.2	-77.4	177.3	0	0	0	113.1	M429 V432 K461 V462 E468 A469	M429-L465 HydrophobicContact CE-CB 4.28Å; V432-L465 HydrophobicContact CB-CD1 4.26Å; V432-L465 HydrophobicContact CG2-CD1 3.46Å; V432-L465 VanDerWaalsContact CG2-CD1 3.46Å; K461-L465 WeakPolarHBondContact O-CG 3.49Å; K461-L465 PolarHBondContact O-N 2.86Å; V462-L465 PolarHBondContact O-N 2.73Å; L465-E468 WeakPolarHBondContact CD2-OE2 3.26Å; L465-A469 WeakPolarHBondContact O-CB 3.3Å; L465-A469 PolarHBondContact O-N 3.24Å; L465-A469 VanDerWaalsContact O-N 3.11Å
466	E	91.5	Very high	90.5	Very high	110 Å²	110	74.7 Å²	74.7	51%	0.514	37%	0.366	S	S	.	.	H	α-helix	trans	-65.7	-42.8	170.8	-72.1	-177.8	174.2	0	0	110.7	M429 V462 A470	M429-E466 HydrophobicContact CE-CG 3.9Å; V462-E466 HydrophobicContact CG1-CG 4.32Å; V462-E466 WeakPolarHBondContact O-CG 3.3Å; V462-E466 PolarHBondContact O-N 2.78Å; E466-A470 VanDerWaalsContact O-CB 3.25Å; E466-A470 WeakPolarHBondContact O-CB 3.39Å; E466-A470 PolarHBondContact O-N 2.95Å
467	Q	91	Very high	90	Very high	150 Å²	150	73 Å²	73	70%	0.701	36%	0.361	S	S	*	.	H	α-helix	trans	-67.5	-42.9	176.8	-173.6	176.3	-10.3	0	0	112.7	E463 A464 A470 S471	E463-Q467 WeakPolarHBondContact O-CB 3.44Å; E463-Q467 PolarHBondContact O-N 2.85Å; A464-Q467 PolarHBondContact O-N 2.68Å; Q467-A470 PolarHBondContact O-N 3.48Å; Q467-S471 PolarHBondContact O-N 2.84Å; Q467-S471 PolarHBondContact O-OG 3.38Å
468	E	89.2	Confident	89.5	Confident	75 Å²	75	69.2 Å²	69.2	35%	0.35	35%	0.352	S	S	.	.	H	α-helix	trans	-56.3	-56.2	175.1	-173.4	-176.8	177.3	0	0	110.1	R428 A464 L465 A470 S471 E472	R428-E468 IonicContact CZ-OE1 3.26Å; R428-E468 IonicContact NH1-OE1 2.62Å; R428-E468 PolarHBondContact NH1-OE1 3.04Å; R428-E468 IonicContact NH1-OE2 3.22Å; R428-E468 PolarHBondContact NH1-OE2 2.82Å; R428-E468 IonicContact NH2-OE1 3.83Å; A464-E468 WeakPolarHBondContact O-CB 3.47Å; A464-E468 PolarHBondContact O-N 3.22Å; L465-E468 WeakPolarHBondContact CD2-OE2 3.26Å; E468-A470 VanDerWaalsContact C-N 3.28Å; E468-A470 PolarHBondContact O-N 2.8Å; E468-S471 WeakPolarHBondContact O-CA 3.16Å; E468-S471 PolarHBondContact O-N 3.23Å; E468-S471 PolarHBondContact O-OG 2.82Å; E468-E472 PolarHBondContact O-N 2.93Å
469	A	88.4	Confident	89.1	Confident	2 Å²	2	70.3 Å²	70.3	2%	0.017	36%	0.359	C	S	.	.	H	α-helix	trans	-73.5	-14.7	-178	0	0	0	0	0	114.2	H425 L465 R473	H425-A469 HydrophobicContact CB-CB 4.18Å; H425-A469 WeakPolarHBondContact ND1-CB 3.44Å; L465-A469 WeakPolarHBondContact O-CB 3.3Å; L465-A469 PolarHBondContact O-N 3.24Å; L465-A469 VanDerWaalsContact O-N 3.11Å; A469-R473 WeakPolarHBondContact O-CB 3.29Å; A469-R473 WeakPolarHBondContact O-CD 3.38Å; A469-R473 WeakPolarHBondContact O-CG 3.33Å; A469-R473 PolarHBondContact O-N 3.41Å; A469-R473 PolarHBondContact O-NH1 2.85Å
470	A	85.1	Confident	88.6	Confident	55 Å²	55	66 Å²	66	46%	0.455	34%	0.339	S	S	.	.	H	α-helix	trans	-72.7	-40.3	165.2	0	0	0	0	0	110.8	E466 Q467 E468 Q474	E466-A470 VanDerWaalsContact O-CB 3.25Å; E466-A470 WeakPolarHBondContact O-CB 3.39Å; E466-A470 PolarHBondContact O-N 2.95Å; Q467-A470 PolarHBondContact O-N 3.48Å; E468-A470 VanDerWaalsContact C-N 3.28Å; E468-A470 PolarHBondContact O-N 2.8Å; A470-Q474 WeakPolarHBondContact O-CB 3.23Å; A470-Q474 PolarHBondContact O-N 3.03Å
471	S	84.3	Confident	88	Confident	67 Å²	67	63 Å²	63	47%	0.469	33%	0.326	S	S	.	.	H	α-helix	trans	-71.7	-43.3	177.7	67.9	0	0	0	0	113.4	Q467 E468 R473 Q474 Q475	Q467-S471 PolarHBondContact O-N 2.84Å; Q467-S471 PolarHBondContact O-OG 3.38Å; E468-S471 WeakPolarHBondContact O-CA 3.16Å; E468-S471 PolarHBondContact O-N 3.23Å; E468-S471 PolarHBondContact O-OG 2.82Å; S471-R473 VanDerWaalsContact C-N 3.34Å; S471-R473 PolarHBondContact O-N 2.8Å; S471-Q474 PolarHBondContact O-N 3.49Å; S471-Q475 PolarHBondContact O-N 3.11Å
472	E	85.8	Confident	87.5	Confident	34 Å²	34	62.2 Å²	62.2	16%	0.159	33%	0.333	C	S	.	.	H	α-helix	trans	-58.1	-45.7	173.8	-70.4	177.4	113.4	0	0	110.9	L421 K424 E468 Q475 L476	L421-E472 HydrophobicContact CD1-CB 3.71Å; L421-E472 HydrophobicContact CD1-CG 4.25Å; L421-E472 WeakPolarHBondContact CD1-OE2 3.45Å; L421-E472 HydrophobicContact CD2-CB 3.89Å; L421-E472 HydrophobicContact CG-CB 4.42Å; K424-E472 IonicContact NZ-OE1 3.78Å; K424-E472 PolarHBondContact NZ-OE1 3.3Å; E468-E472 PolarHBondContact O-N 2.93Å; E472-Q475 PolarHBondContact O-N 2.7Å; E472-L476 WeakPolarHBondContact O-CB 3.2Å; E472-L476 PolarHBondContact O-N 2.86Å
473	R	86.2	Confident	87	Confident	75 Å²	75	62.4 Å²	62.4	28%	0.283	33%	0.331	S	S	.	.	H	α-helix	trans	-64	-40.6	176.9	-75.6	178.7	-172.7	106.7	-13.3	112.1	L421 E422 H425 A469 S471 L476 V477	L421-R473 HydrophobicContact CD2-CB 4.36Å; L421-R473 HydrophobicContact CD2-CG 3.72Å; L421-R473 HydrophobicContact CG-CG 4.37Å; E422-R473 IonicContact OE1-NE 3.7Å; H425-R473 PolarHBondContact CD2-NH2 3.48Å; A469-R473 WeakPolarHBondContact O-CB 3.29Å; A469-R473 WeakPolarHBondContact O-CD 3.38Å; A469-R473 WeakPolarHBondContact O-CG 3.33Å; A469-R473 PolarHBondContact O-N 3.41Å; A469-R473 PolarHBondContact O-NH1 2.85Å; S471-R473 VanDerWaalsContact C-N 3.34Å; S471-R473 PolarHBondContact O-N 2.8Å; R473-L476 PolarHBondContact O-N 2.89Å; R473-V477 WeakPolarHBondContact O-CB 3.45Å; R473-V477 VanDerWaalsContact O-CG2 3.31Å; R473-V477 WeakPolarHBondContact O-CG2 3.4Å; R473-V477 PolarHBondContact O-N 3.25Å
474	Q	84.8	Confident	86.5	Confident	102 Å²	102	58 Å²	58	48%	0.477	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-45.7	177.6	-177.3	174.5	-12.6	0	0	111.1	A470 S471 L476 V477 E478	A470-Q474 WeakPolarHBondContact O-CB 3.23Å; A470-Q474 PolarHBondContact O-N 3.03Å; S471-Q474 PolarHBondContact O-N 3.49Å; Q474-L476 PolarHBondContact O-N 3.3Å; Q474-V477 PolarHBondContact O-N 3.35Å; Q474-E478 HydrophobicContact CG-CG 4.25Å; Q474-E478 WeakPolarHBondContact CG-OE1 3.41Å; Q474-E478 PolarHBondContact NE2-OE1 2.84Å; Q474-E478 WeakPolarHBondContact O-CB 3.2Å; Q474-E478 WeakPolarHBondContact O-CG 3.38Å; Q474-E478 PolarHBondContact O-N 2.84Å
475	Q	86.4	Confident	85.8	Confident	109 Å²	109	59.1 Å²	59.1	51%	0.509	31%	0.308	S	S	.	.	H	α-helix	trans	-58.4	-47.7	176.1	-179.9	179.1	-10.8	0	0	111.5	S471 E472 V477 E478 T479	S471-Q475 PolarHBondContact O-N 3.11Å; E472-Q475 PolarHBondContact O-N 2.7Å; Q475-V477 PolarHBondContact O-N 3.15Å; Q475-E478 PolarHBondContact O-N 3.48Å; Q475-T479 PolarHBondContact O-N 3.36Å; Q475-T479 PolarHBondContact O-OG1 3.4Å; Q475-T479 VanDerWaalsContact O-OG1 3.06Å
476	L	86.5	Confident	85.5	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.016	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-46.2	178.4	-172.4	75.5	0	0	0	112	V398 Y401 F414 A417 K418 L421 E472 R473 Q474 H480	V398-L476 HydrophobicContact CG1-CD1 4.33Å; Y401-L476 HydrophobicContact CD1-CD1 3.36Å; Y401-L476 HydrophobicContact CE1-CD1 3.46Å; Y401-L476 VanDerWaalsContact CE1-CD1 3.46Å; Y401-L476 HydrophobicContact CE1-CG 4.4Å; Y401-L476 HydrophobicContact CG-CD1 4.31Å; F414-L476 HydrophobicContact CD2-CD2 4.25Å; F414-L476 HydrophobicContact CD2-CG 4.02Å; F414-L476 HydrophobicContact CE2-CD2 4.03Å; F414-L476 HydrophobicContact CE2-CG 3.93Å; A417-L476 HydrophobicContact CB-CD1 3.81Å; A417-L476 HydrophobicContact CB-CD2 4.34Å; K418-L476 HydrophobicContact CB-CD2 3.86Å; K418-L476 HydrophobicContact CG-CD2 4.5Å; L421-L476 HydrophobicContact CD2-CD2 4.18Å; E472-L476 WeakPolarHBondContact O-CB 3.2Å; E472-L476 PolarHBondContact O-N 2.86Å; R473-L476 PolarHBondContact O-N 2.89Å; Q474-L476 PolarHBondContact O-N 3.3Å; L476-H480 WeakPolarHBondContact O-CB 3.39Å; L476-H480 PolarHBondContact O-N 2.75Å
477	V	84.1	Confident	85.2	Confident	53 Å²	53	56.7 Å²	56.7	32%	0.321	31%	0.305	S	S	.	.	H	α-helix	trans	-67.3	-42.2	178.5	170.4	0	0	0	0	111.6	F414 R473 Q474 Q475 H480 M481	F414-V477 HydrophobicContact CE2-CG2 4.17Å; F414-V477 HydrophobicContact CZ-CG2 4.11Å; R473-V477 WeakPolarHBondContact O-CB 3.45Å; R473-V477 VanDerWaalsContact O-CG2 3.31Å; R473-V477 WeakPolarHBondContact O-CG2 3.4Å; R473-V477 PolarHBondContact O-N 3.25Å; Q474-V477 PolarHBondContact O-N 3.35Å; Q475-V477 PolarHBondContact O-N 3.15Å; V477-H480 PolarHBondContact O-N 3.34Å; V477-M481 HydrophobicContact CG1-CG 4.25Å; V477-M481 WeakPolarHBondContact O-CB 3.02Å; V477-M481 VanDerWaalsContact O-CG 3.24Å; V477-M481 WeakPolarHBondContact O-CG 3.31Å; V477-M481 PolarHBondContact O-N 3.3Å
478	E	82.3	Confident	84.8	Confident	98 Å²	98	50.3 Å²	50.3	46%	0.458	28%	0.275	S	S	.	.	H	α-helix	trans	-67.7	-36.8	179.3	-73.3	176.7	176.8	0	0	111.7	Q474 Q475 A482	Q474-E478 HydrophobicContact CG-CG 4.25Å; Q474-E478 WeakPolarHBondContact CG-OE1 3.41Å; Q474-E478 PolarHBondContact NE2-OE1 2.84Å; Q474-E478 WeakPolarHBondContact O-CB 3.2Å; Q474-E478 WeakPolarHBondContact O-CG 3.38Å; Q474-E478 PolarHBondContact O-N 2.84Å; Q475-E478 PolarHBondContact O-N 3.48Å; E478-A482 PolarHBondContact O-N 2.87Å
479	T	85.4	Confident	84.6	Confident	38 Å²	38	47.5 Å²	47.5	23%	0.233	26%	0.263	C	S	.	.	H	α-helix	trans	-63.6	-46.5	169.7	-58	0	0	0	0	112	Y401 L402 Q475 M481 A482 R483	Y401-T479 HydrophobicContact CE1-CG2 4.14Å; L402-T479 HydrophobicContact CD2-CG2 3.92Å; Q475-T479 PolarHBondContact O-N 3.36Å; Q475-T479 PolarHBondContact O-OG1 3.4Å; Q475-T479 VanDerWaalsContact O-OG1 3.06Å; T479-M481 PolarHBondContact O-N 2.86Å; T479-A482 PolarHBondContact O-N 2.87Å; T479-R483 HydrophobicContact CG2-CG 4.47Å; T479-R483 WeakPolarHBondContact O-CG 3.45Å; T479-R483 PolarHBondContact O-N 3.27Å
480	H	84.9	Confident	84.5	Confident	13 Å²	13	50.7 Å²	50.7	6%	0.06	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-46.3	178.5	-172.3	49.4	0	0	0	112.3	Y401 E410 H411 F414 L476 V477 A482 R483 V484	Y401-H480 WeakPolarHBondContact OH-CA 3.43Å; Y401-H480 VanDerWaalsContact OH-CB 3.25Å; Y401-H480 WeakPolarHBondContact OH-CB 3.49Å; Y401-H480 PolarHBondContact OH-N 3.36Å; E410-H480 IonicContact OE1-CE1 3.51Å; E410-H480 IonicContact OE1-CG 3.91Å; E410-H480 IonicContact OE1-ND1 2.78Å; E410-H480 PolarHBondContact OE1-ND1 3.03Å; H411-H480 AromaticContact ND1-CE1 3.76Å; H411-H480 AromaticContact ND1-NE2 3.23Å; H411-H480 PolarHBondContact ND1-NE2 2.98Å; F414-H480 HydrophobicContact CB-CB 4.44Å; F414-H480 WeakPolarHBondContact CB-ND1 3.49Å; F414-H480 AromaticContact CD1-CD2 3.36Å; F414-H480 WeakPolarHBondContact CD1-CD2 3.16Å; F414-H480 AromaticContact CD1-CE1 3.95Å; F414-H480 AromaticContact CD1-CG 3.86Å; F414-H480 AromaticContact CD1-NE2 3.44Å; F414-H480 WeakPolarHBondContact CD1-NE2 3.4Å; F414-H480 HydrophobicContact CD2-CB 3.45Å; F414-H480 VanDerWaalsContact CD2-CB 3.45Å; F414-H480 AromaticContact CD2-CD2 3.77Å; F414-H480 AromaticContact CD2-CG 3.48Å; F414-H480 VanDerWaalsContact CD2-CG 3.48Å; F414-H480 AromaticContact CE1-CD2 3.63Å; F414-H480 HydrophobicContact CE2-CB 3.75Å; F414-H480 AromaticContact CE2-CG 3.99Å; F414-H480 HydrophobicContact CG-CB 3.94Å; F414-H480 AromaticContact CG-CD2 3.43Å; F414-H480 VanDerWaalsContact CG-CD2 3.43Å; F414-H480 WeakPolarHBondContact CG-CD2 3.36Å; F414-H480 AromaticContact CG-CE1 3.78Å; F414-H480 AromaticContact CG-CG 3.39Å; F414-H480 AromaticContact CG-ND1 3.62Å; F414-H480 AromaticContact CG-NE2 3.69Å; F414-H480 HydrophobicContact CZ-CB 4.48Å; F414-H480 AromaticContact CZ-CD2 3.94Å; L476-H480 WeakPolarHBondContact O-CB 3.39Å; L476-H480 PolarHBondContact O-N 2.75Å; V477-H480 PolarHBondContact O-N 3.34Å; H480-A482 VanDerWaalsContact C-N 3.33Å; H480-A482 PolarHBondContact O-N 2.92Å; H480-R483 PolarHBondContact O-N 2.94Å; H480-V484 WeakPolarHBondContact CE1-CG2 3.31Å; H480-V484 WeakPolarHBondContact O-CB 3.25Å; H480-V484 WeakPolarHBondContact O-CG2 3.44Å; H480-V484 PolarHBondContact O-N 3.31Å
481	M	80.6	Confident	84.7	Confident	39 Å²	39	52.5 Å²	52.5	19%	0.192	27%	0.274	C	S	.	.	H	α-helix	trans	-56.9	-46	177.8	-74.5	-61.4	-52.7	0	0	111.7	V477 T479 V484 E485 H530 H534	V477-M481 HydrophobicContact CG1-CG 4.25Å; V477-M481 WeakPolarHBondContact O-CB 3.02Å; V477-M481 VanDerWaalsContact O-CG 3.24Å; V477-M481 WeakPolarHBondContact O-CG 3.31Å; V477-M481 PolarHBondContact O-N 3.3Å; T479-M481 PolarHBondContact O-N 2.86Å; M481-V484 PolarHBondContact O-N 2.9Å; M481-E485 VanDerWaalsContact O-CB 3.28Å; M481-E485 WeakPolarHBondContact O-CB 3.32Å; M481-E485 PolarHBondContact O-N 3.35Å; M481-H530 WeakPolarHBondContact CE-CE1 3.26Å; M481-H534 HydrophobicContact CE-CB 3.95Å; M481-H534 VanDerWaalsContact CE-ND1 3.27Å; M481-H534 WeakPolarHBondContact CE-ND1 3.25Å; M481-H534 HydrophobicContact SD-CB 4.34Å; M481-H534 PolarHBondContact SD-ND1 2.89Å
482	A	84.1	Confident	84.9	Confident	59 Å²	59	50 Å²	50	49%	0.488	26%	0.255	S	S	.	.	H	α-helix	trans	-65.6	-39.9	178.7	0	0	0	0	0	112.8	E478 T479 H480 A486	E478-A482 PolarHBondContact O-N 2.87Å; T479-A482 PolarHBondContact O-N 2.87Å; H480-A482 VanDerWaalsContact C-N 3.33Å; H480-A482 PolarHBondContact O-N 2.92Å; A482-A486 WeakPolarHBondContact O-CB 3.46Å; A482-A486 PolarHBondContact O-N 2.8Å
483	R	85.9	Confident	85.1	Confident	32 Å²	32	55.2 Å²	55.2	12%	0.121	27%	0.273	C	S	.	.	H	α-helix	trans	-67	-45.3	176.1	-70.7	-178.4	179.5	-174.8	4	112.2	Y401 L402 T404 A406 E410 T479 H480 A486 L487	Y401-R483 VanDerWaalsContact CE2-NH1 3.32Å; Y401-R483 VanDerWaalsContact O-CZ 3.3Å; Y401-R483 PolarHBondContact O-NH1 3.46Å; Y401-R483 PolarHBondContact O-NH2 2.88Å; L402-R483 PolarHBondContact O-NH2 2.93Å; L402-R483 VanDerWaalsContact O-NH2 3.08Å; T404-R483 VanDerWaalsContact O-CZ 3.31Å; T404-R483 PolarHBondContact O-NH1 3.38Å; T404-R483 PolarHBondContact O-NH2 3.49Å; A406-R483 HydrophobicContact CB-CB 4Å; A406-R483 HydrophobicContact CB-CG 3.93Å; E410-R483 VanDerWaalsContact CD-CD 3.45Å; E410-R483 HydrophobicContact CG-CB 4.21Å; E410-R483 WeakPolarHBondContact OE1-CD 3.44Å; E410-R483 WeakPolarHBondContact OE2-CD 2.96Å; E410-R483 IonicContact OE2-CZ 3.68Å; E410-R483 IonicContact OE2-NE 2.73Å; E410-R483 IonicContact OE2-NH1 3.24Å; E410-R483 PolarHBondContact OE2-NH1 2.85Å; E410-R483 VanDerWaalsContact OE2-NH1 3.07Å; T479-R483 HydrophobicContact CG2-CG 4.47Å; T479-R483 WeakPolarHBondContact O-CG 3.45Å; T479-R483 PolarHBondContact O-N 3.27Å; H480-R483 PolarHBondContact O-N 2.94Å; R483-A486 PolarHBondContact O-N 3.26Å; R483-L487 WeakPolarHBondContact O-CB 3.39Å; R483-L487 VanDerWaalsContact O-CG 3.31Å; R483-L487 WeakPolarHBondContact O-CG 3.42Å; R483-L487 PolarHBondContact O-N 2.95Å
484	V	84.3	Confident	85.3	Confident	25 Å²	25	56.9 Å²	56.9	15%	0.152	29%	0.287	C	S	.	.	H	α-helix	trans	-65.4	-40.1	177.8	174	0	0	0	0	110.9	E410 H480 M481 L487 L488	E410-V484 HydrophobicContact CG-CG2 4.24Å; H480-V484 WeakPolarHBondContact CE1-CG2 3.31Å; H480-V484 WeakPolarHBondContact O-CB 3.25Å; H480-V484 WeakPolarHBondContact O-CG2 3.44Å; H480-V484 PolarHBondContact O-N 3.31Å; M481-V484 PolarHBondContact O-N 2.9Å; V484-L487 PolarHBondContact O-N 2.03Å; V484-L488 HydrophobicContact CG1-CD1 3.72Å; V484-L488 HydrophobicContact CG1-CG 4.23Å; V484-L488 VanDerWaalsContact O-CB 3.31Å; V484-L488 WeakPolarHBondContact O-CB 3.35Å; V484-L488 WeakPolarHBondContact O-CD1 3.13Å; V484-L488 WeakPolarHBondContact O-CG 3.42Å; V484-L488 PolarHBondContact O-N 3.46Å
485	E	79.6	Confident	85.8	Confident	79 Å²	79	52.1 Å²	52.1	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-60.5	-45.6	173.1	-176	172.5	171.2	0	0	111.7	M481 L488 N489	M481-E485 VanDerWaalsContact O-CB 3.28Å; M481-E485 WeakPolarHBondContact O-CB 3.32Å; M481-E485 PolarHBondContact O-N 3.35Å; E485-L488 PolarHBondContact O-N 3.13Å; E485-N489 WeakPolarHBondContact O-CB 3.35Å; E485-N489 VanDerWaalsContact O-CG 3.26Å; E485-N489 PolarHBondContact O-N 2.82Å; E485-N489 PolarHBondContact O-ND2 3.23Å
486	A	84.6	Confident	86.1	Confident	46 Å²	46	48.1 Å²	48.1	38%	0.38	25%	0.247	S	C	.	.	H	α-helix	trans	-60.6	-48.6	174.8	0	0	0	0	0	112.6	A482 R483 L488 N489 D490	A482-A486 WeakPolarHBondContact O-CB 3.46Å; A482-A486 PolarHBondContact O-N 2.8Å; R483-A486 PolarHBondContact O-N 3.26Å; A486-L488 VanDerWaalsContact C-N 3.32Å; A486-L488 PolarHBondContact O-N 2.84Å; A486-N489 PolarHBondContact O-N 3.41Å; A486-D490 PolarHBondContact O-N 2.65Å
487	L	85	Confident	86.5	Confident	36 Å²	36	52.3 Å²	52.3	19%	0.188	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-35.1	178.2	-71.4	168.8	0	0	0	112.7	A406 D407 E410 R483 V484 R491	A406-L487 HydrophobicContact CB-CD1 4.26Å; A406-L487 HydrophobicContact CB-CG 4.44Å; D407-L487 VanDerWaalsContact O-CD1 3.27Å; D407-L487 WeakPolarHBondContact O-CD1 3.42Å; E410-L487 HydrophobicContact CB-CD1 3.8Å; E410-L487 HydrophobicContact CG-CD1 3.89Å; R483-L487 WeakPolarHBondContact O-CB 3.39Å; R483-L487 VanDerWaalsContact O-CG 3.31Å; R483-L487 WeakPolarHBondContact O-CG 3.42Å; R483-L487 PolarHBondContact O-N 2.95Å; V484-L487 PolarHBondContact O-N 2.03Å; L487-R491 WeakPolarHBondContact O-CB 3.27Å; L487-R491 WeakPolarHBondContact O-CD 3.24Å; L487-R491 WeakPolarHBondContact O-CG 3.17Å; L487-R491 PolarHBondContact O-N 3.13Å
488	L	84.3	Confident	87	Confident	16 Å²	16	51.9 Å²	51.9	8%	0.084	27%	0.266	C	S	.	.	H	α-helix	trans	-69.6	-44.9	174	-74.5	166.6	0	0	0	111.4	V484 E485 A486 R491 R492 K526 H530	V484-L488 HydrophobicContact CG1-CD1 3.72Å; V484-L488 HydrophobicContact CG1-CG 4.23Å; V484-L488 VanDerWaalsContact O-CB 3.31Å; V484-L488 WeakPolarHBondContact O-CB 3.35Å; V484-L488 WeakPolarHBondContact O-CD1 3.13Å; V484-L488 WeakPolarHBondContact O-CG 3.42Å; V484-L488 PolarHBondContact O-N 3.46Å; E485-L488 PolarHBondContact O-N 3.13Å; A486-L488 VanDerWaalsContact C-N 3.32Å; A486-L488 PolarHBondContact O-N 2.84Å; L488-R491 PolarHBondContact O-N 3.37Å; L488-R492 VanDerWaalsContact O-CB 3.29Å; L488-R492 WeakPolarHBondContact O-CB 3.12Å; L488-R492 PolarHBondContact O-N 2.9Å; L488-K526 HydrophobicContact CD2-CB 3.78Å; L488-H530 HydrophobicContact CD1-CB 3.9Å
489	N	85.1	Confident	87.7	Confident	16 Å²	16	47.2 Å²	47.2	9%	0.086	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-45.8	176.8	-76.4	-37.8	0	0	0	111.8	E485 A486 R492 R493	E485-N489 WeakPolarHBondContact O-CB 3.35Å; E485-N489 VanDerWaalsContact O-CG 3.26Å; E485-N489 PolarHBondContact O-N 2.82Å; E485-N489 PolarHBondContact O-ND2 3.23Å; A486-N489 PolarHBondContact O-N 3.41Å; N489-R492 PolarHBondContact O-N 3.47Å; N489-R492 PolarHBondContact OD1-NH1 3.33Å; N489-R492 PolarHBondContact OD1-NH2 3.5Å; N489-R493 WeakPolarHBondContact O-CB 3.36Å; N489-R493 PolarHBondContact O-N 2.9Å
490	D	86.3	Confident	88.1	Confident	69 Å²	69	47.3 Å²	47.3	37%	0.369	24%	0.243	S	C	.	.	H	α-helix	trans	-73	-38.7	179.5	-74.6	-17	0	0	0	111.9	A486 R492 R493 L494 R742	A486-D490 PolarHBondContact O-N 2.65Å; D490-R492 PolarHBondContact O-N 2.93Å; D490-R493 PolarHBondContact O-N 3.33Å; D490-L494 WeakPolarHBondContact O-CB 3.37Å; D490-L494 VanDerWaalsContact O-CG 3.32Å; D490-L494 WeakPolarHBondContact O-CG 3.38Å; D490-L494 PolarHBondContact O-N 3.36Å; D490-R742 IonicContact OD1-NH1 2.74Å
491	R	88.6	Confident	88.5	Confident	93 Å²	93	50.5 Å²	50.5	35%	0.351	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-38.1	171.6	-76	169.9	168.6	159.3	-9.2	112.1	E408 L487 L488 A495	E408-R491 VanDerWaalsContact CD-NH2 3.35Å; E408-R491 PolarHBondContact O-NH2 3.05Å; E408-R491 IonicContact OE1-CZ 2.79Å; E408-R491 VanDerWaalsContact OE1-CZ 3.3Å; E408-R491 IonicContact OE1-NE 3.06Å; E408-R491 PolarHBondContact OE1-NE 3.41Å; E408-R491 IonicContact OE1-NH2 3.62Å; E408-R491 PolarHBondContact OE1-NH2 2.89Å; L487-R491 WeakPolarHBondContact O-CB 3.27Å; L487-R491 WeakPolarHBondContact O-CD 3.24Å; L487-R491 WeakPolarHBondContact O-CG 3.17Å; L487-R491 PolarHBondContact O-N 3.13Å; L488-R491 PolarHBondContact O-N 3.37Å; R491-A495 WeakPolarHBondContact O-CB 3.31Å; R491-A495 PolarHBondContact O-N 3.17Å
492	R	88.7	Confident	89.2	Confident	15 Å²	15	48.7 Å²	48.7	6%	0.057	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-52.7	171.5	176.3	174.5	76.2	-105.3	-1.1	110.7	L488 N489 D490 A495 L496 Y520 A523 E524 D527 R563 E732	L488-R492 VanDerWaalsContact O-CB 3.29Å; L488-R492 WeakPolarHBondContact O-CB 3.12Å; L488-R492 PolarHBondContact O-N 2.9Å; N489-R492 PolarHBondContact O-N 3.47Å; N489-R492 PolarHBondContact OD1-NH1 3.33Å; N489-R492 PolarHBondContact OD1-NH2 3.5Å; D490-R492 PolarHBondContact O-N 2.93Å; R492-A495 PolarHBondContact O-N 2.56Å; R492-L496 WeakPolarHBondContact O-CB 3.46Å; R492-L496 PolarHBondContact O-N 3.28Å; R492-Y520 HydrophobicContact CG-CE2 3.99Å; R492-A523 HydrophobicContact CB-CB 4.47Å; R492-E524 WeakPolarHBondContact CD-OE1 3.32Å; R492-E524 WeakPolarHBondContact CD-OE2 3.44Å; R492-D527 IonicContact NH1-OD2 2.69Å; R492-D527 PolarHBondContact NH1-OD2 2.78Å; R492-R563 VanDerWaalsContact CD-CZ 3.4Å; R492-R563 VanDerWaalsContact CD-NE 3.29Å; R492-R563 VanDerWaalsContact CZ-CZ 3.44Å; R492-E732 IonicContact CZ-OE2 2.83Å; R492-E732 VanDerWaalsContact CZ-OE2 3.24Å; R492-E732 IonicContact NE-OE2 3.89Å; R492-E732 PolarHBondContact NE-OE2 2.87Å; R492-E732 VanDerWaalsContact NE-OE2 3.09Å; R492-E732 IonicContact NH2-OE2 3.74Å; R492-E732 PolarHBondContact NH2-OE2 3.19Å
493	R	88.9	Confident	89.6	Confident	144 Å²	144	46.9 Å²	46.9	54%	0.543	24%	0.237	S	C	.	.	H	α-helix	trans	-58.2	-51.4	-178.7	179.8	-175	161.8	178.9	-3.7	111.8	N489 D490 A495 L496 E497	N489-R493 WeakPolarHBondContact O-CB 3.36Å; N489-R493 PolarHBondContact O-N 2.9Å; D490-R493 PolarHBondContact O-N 3.33Å; R493-A495 VanDerWaalsContact C-N 3.29Å; R493-A495 PolarHBondContact O-N 2.9Å; R493-L496 WeakPolarHBondContact O-CB 3.4Å; R493-L496 PolarHBondContact O-N 3.5Å; R493-L496 VanDerWaalsContact O-N 3.16Å; R493-E497 IonicContact CZ-OE2 3.2Å; R493-E497 IonicContact NE-OE2 3.96Å; R493-E497 PolarHBondContact NE-OE2 2.73Å; R493-E497 IonicContact NH2-OE2 3.38Å; R493-E497 PolarHBondContact NH2-OE2 2.66Å; R493-E497 VanDerWaalsContact O-CB 3.32Å; R493-E497 WeakPolarHBondContact O-CB 3.22Å; R493-E497 PolarHBondContact O-N 3.33Å
494	L	91.6	Very high	89.9	Confident	109 Å²	109	52.5 Å²	52.5	57%	0.571	27%	0.265	S	S	*	.	H	α-helix	trans	-62.7	-36.1	-178	-69.8	169.7	0	0	0	112.2	D490 S498	D490-L494 WeakPolarHBondContact O-CB 3.37Å; D490-L494 VanDerWaalsContact O-CG 3.32Å; D490-L494 WeakPolarHBondContact O-CG 3.38Å; D490-L494 PolarHBondContact O-N 3.36Å; L494-S498 WeakPolarHBondContact O-CB 3.38Å; L494-S498 PolarHBondContact O-N 3.41Å; L494-S498 PolarHBondContact O-OG 3.26Å
495	A	94.2	Very high	90.3	Very high	3 Å²	3	54.6 Å²	54.6	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-69.5	-39.8	174.5	0	0	0	0	0	112.5	R491 R492 R493 Y499 K519 Y520	R491-A495 WeakPolarHBondContact O-CB 3.31Å; R491-A495 PolarHBondContact O-N 3.17Å; R492-A495 PolarHBondContact O-N 2.56Å; R493-A495 VanDerWaalsContact C-N 3.29Å; R493-A495 PolarHBondContact O-N 2.9Å; A495-Y499 WeakPolarHBondContact O-CB 3.46Å; A495-Y499 PolarHBondContact O-N 3.02Å; A495-K519 HydrophobicContact CB-CG 4.37Å; A495-Y520 HydrophobicContact CB-CD2 4.39Å
496	L	93.3	Very high	90.8	Very high	24 Å²	24	58.5 Å²	58.5	13%	0.126	30%	0.296	C	S	.	.	H	α-helix	trans	-63.3	-47.6	174.6	-177.1	55.6	0	0	0	111.3	R492 R493 S498 Y499 L500 Y520	R492-L496 WeakPolarHBondContact O-CB 3.46Å; R492-L496 PolarHBondContact O-N 3.28Å; R493-L496 WeakPolarHBondContact O-CB 3.4Å; R493-L496 PolarHBondContact O-N 3.5Å; R493-L496 VanDerWaalsContact O-N 3.16Å; L496-S498 PolarHBondContact O-N 3Å; L496-Y499 HydrophobicContact CD1-CD1 4.2Å; L496-Y499 PolarHBondContact O-N 2.89Å; L496-L500 HydrophobicContact CD1-CD1 4.21Å; L496-L500 HydrophobicContact CD1-CG 4.22Å; L496-L500 HydrophobicContact CG-CD1 3.97Å; L496-L500 HydrophobicContact CG-CG 4.42Å; L496-L500 WeakPolarHBondContact O-CB 3.46Å; L496-L500 VanDerWaalsContact O-CG 3.26Å; L496-L500 WeakPolarHBondContact O-CG 3.5Å; L496-L500 PolarHBondContact O-N 2.89Å; L496-Y520 HydrophobicContact CB-CD2 3.67Å; L496-Y520 HydrophobicContact CB-CE2 3.62Å; L496-Y520 HydrophobicContact CD1-CD2 4.2Å; L496-Y520 HydrophobicContact CD1-CE2 3.8Å; L496-Y520 HydrophobicContact CD2-CE2 4.23Å; L496-Y520 HydrophobicContact CG-CD2 4.47Å; L496-Y520 HydrophobicContact CG-CE2 4.07Å
497	E	94.3	Very high	90.9	Very high	91 Å²	91	61.1 Å²	61.1	43%	0.425	31%	0.309	S	S	.	.	H	α-helix	trans	-59.8	-46.2	178.9	-163.8	160.9	166.2	0	0	110.2	R493 Y499 L500 T501	R493-E497 IonicContact CZ-OE2 3.2Å; R493-E497 IonicContact NE-OE2 3.96Å; R493-E497 PolarHBondContact NE-OE2 2.73Å; R493-E497 IonicContact NH2-OE2 3.38Å; R493-E497 PolarHBondContact NH2-OE2 2.66Å; R493-E497 VanDerWaalsContact O-CB 3.32Å; R493-E497 WeakPolarHBondContact O-CB 3.22Å; R493-E497 PolarHBondContact O-N 3.33Å; E497-Y499 PolarHBondContact O-N 3.12Å; E497-L500 PolarHBondContact O-N 2.87Å; E497-T501 PolarHBondContact O-N 3.08Å; E497-T501 PolarHBondContact O-OG1 3.25Å; E497-T501 VanDerWaalsContact O-OG1 3.08Å
498	S	95.6	Very high	91.2	Very high	45 Å²	45	61.1 Å²	61.1	32%	0.315	31%	0.312	S	S	.	.	H	α-helix	trans	-58.1	-47.5	173.8	-56.6	0	0	0	0	113	L494 L496 T501 A502	L494-S498 WeakPolarHBondContact O-CB 3.38Å; L494-S498 PolarHBondContact O-N 3.41Å; L494-S498 PolarHBondContact O-OG 3.26Å; L496-S498 PolarHBondContact O-N 3Å; S498-T501 PolarHBondContact O-N 3.07Å; S498-A502 PolarHBondContact O-N 3.11Å
499	Y	95.5	Very high	91.7	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.3	-41.3	178.3	161.3	-114.1	0	0	0	112.3	A495 L496 E497 A502 L503 V513 L517 S567 L570 L571	A495-Y499 WeakPolarHBondContact O-CB 3.46Å; A495-Y499 PolarHBondContact O-N 3.02Å; L496-Y499 HydrophobicContact CD1-CD1 4.2Å; L496-Y499 PolarHBondContact O-N 2.89Å; E497-Y499 PolarHBondContact O-N 3.12Å; Y499-A502 PolarHBondContact O-N 3.05Å; Y499-L503 HydrophobicContact CD1-CD1 4.48Å; Y499-L503 HydrophobicContact CD2-CD1 4.23Å; Y499-L503 HydrophobicContact CD2-CG 4.35Å; Y499-L503 HydrophobicContact CE1-CD1 3.96Å; Y499-L503 HydrophobicContact CE2-CD1 3.64Å; Y499-L503 HydrophobicContact CE2-CG 4Å; Y499-L503 PolarHBondContact O-N 3.29Å; Y499-V513 HydrophobicContact CD2-CG1 4.2Å; Y499-V513 HydrophobicContact CE2-CG1 3.91Å; Y499-L517 HydrophobicContact CD2-CB 3.89Å; Y499-L517 HydrophobicContact CD2-CD1 4.49Å; Y499-L517 HydrophobicContact CE1-CD1 4.31Å; Y499-L517 HydrophobicContact CE2-CB 3.83Å; Y499-L517 HydrophobicContact CE2-CD1 4.01Å; Y499-L517 HydrophobicContact CE2-CD2 4.44Å; Y499-L517 HydrophobicContact CE2-CG 4.31Å; Y499-S567 WeakPolarHBondContact CE1-O 3.34Å; Y499-S567 PolarHBondContact OH-O 3.42Å; Y499-L570 HydrophobicContact CE1-CD1 4.3Å; Y499-L571 HydrophobicContact CE2-CD2 4.09Å; Y499-L571 WeakPolarHBondContact OH-CD2 3.32Å
500	L	93.8	Very high	92.1	Very high	40 Å²	40	69.4 Å²	69.4	21%	0.209	35%	0.345	C	S	.	.	H	α-helix	trans	-63.1	-40.4	174.5	-74.1	172.4	0	0	0	112.1	L496 E497 L503 Q504 L570	L496-L500 HydrophobicContact CD1-CD1 4.21Å; L496-L500 HydrophobicContact CD1-CG 4.22Å; L496-L500 HydrophobicContact CG-CD1 3.97Å; L496-L500 HydrophobicContact CG-CG 4.42Å; L496-L500 WeakPolarHBondContact O-CB 3.46Å; L496-L500 VanDerWaalsContact O-CG 3.26Å; L496-L500 WeakPolarHBondContact O-CG 3.5Å; L496-L500 PolarHBondContact O-N 2.89Å; E497-L500 PolarHBondContact O-N 2.87Å; L500-L503 PolarHBondContact O-N 3.39Å; L500-Q504 VanDerWaalsContact O-CG 3.3Å; L500-Q504 WeakPolarHBondContact O-CG 3.31Å; L500-Q504 PolarHBondContact O-N 2.89Å; L500-Q504 PolarHBondContact O-NE2 3.06Å; L500-Q504 VanDerWaalsContact O-NE2 3.16Å; L500-L570 HydrophobicContact CD2-CD1 3.55Å
501	T	94.6	Very high	92.4	Very high	80 Å²	80	76.5 Å²	76.5	49%	0.491	37%	0.367	S	S	.	.	H	α-helix	trans	-64.6	-44.2	174.4	-61.8	0	0	0	0	111.1	E497 S498 L503 Q504 Q505	E497-T501 PolarHBondContact O-N 3.08Å; E497-T501 PolarHBondContact O-OG1 3.25Å; E497-T501 VanDerWaalsContact O-OG1 3.08Å; S498-T501 PolarHBondContact O-N 3.07Å; T501-L503 VanDerWaalsContact C-N 3.33Å; T501-L503 PolarHBondContact O-N 3.27Å; T501-Q504 CarbonylContact O-C 3.36Å; T501-Q504 WeakPolarHBondContact O-CA 3.18Å; T501-Q504 PolarHBondContact O-N 3.13Å; T501-Q505 PolarHBondContact O-N 2.96Å; T501-Q505 VanDerWaalsContact O-N 3.08Å
502	A	94.7	Very high	92.7	Very high	1 Å²	1	75.9 Å²	75.9	1%	0.008	37%	0.368	C	S	.	.	H	α-helix	trans	-65.4	-32.2	177.6	0	0	0	0	0	113.7	S498 Y499 Q504 V513 L516	S498-A502 PolarHBondContact O-N 3.11Å; Y499-A502 PolarHBondContact O-N 3.05Å; A502-Q504 VanDerWaalsContact C-N 3.26Å; A502-Q504 PolarHBondContact O-N 3.4Å; A502-V513 HydrophobicContact CB-CG2 4.05Å; A502-L516 HydrophobicContact CB-CD1 3.54Å
503	L	92.4	Very high	93	Very high	20 Å²	20	75.2 Å²	75.2	11%	0.105	37%	0.365	C	S	.	.	H	α-helix	trans	-70.4	-18.7	170.1	-80.1	176	0	0	0	113.9	Y499 L500 T501 V513 L570 L571 V574	Y499-L503 HydrophobicContact CD1-CD1 4.48Å; Y499-L503 HydrophobicContact CD2-CD1 4.23Å; Y499-L503 HydrophobicContact CD2-CG 4.35Å; Y499-L503 HydrophobicContact CE1-CD1 3.96Å; Y499-L503 HydrophobicContact CE2-CD1 3.64Å; Y499-L503 HydrophobicContact CE2-CG 4Å; Y499-L503 PolarHBondContact O-N 3.29Å; L500-L503 PolarHBondContact O-N 3.39Å; T501-L503 VanDerWaalsContact C-N 3.33Å; T501-L503 PolarHBondContact O-N 3.27Å; L503-V513 HydrophobicContact CD2-CG1 3.64Å; L503-V513 HydrophobicContact CD2-CG2 4.25Å; L503-V513 HydrophobicContact CG-CG1 4.07Å; L503-L570 HydrophobicContact CD1-CB 4.21Å; L503-L571 HydrophobicContact CD2-CD2 4.16Å; L503-V574 HydrophobicContact CD2-CG2 4.23Å
504	Q	92.2	Very high	93.3	Very high	151 Å²	151	69.6 Å²	69.6	71%	0.706	34%	0.344	S	S	*	.	H	α-helix	trans	-103.3	-1.1	-179.7	-70.9	172.4	56.8	0	0	113.4	L500 T501 A502	L500-Q504 VanDerWaalsContact O-CG 3.3Å; L500-Q504 WeakPolarHBondContact O-CG 3.31Å; L500-Q504 PolarHBondContact O-N 2.89Å; L500-Q504 PolarHBondContact O-NE2 3.06Å; L500-Q504 VanDerWaalsContact O-NE2 3.16Å; T501-Q504 CarbonylContact O-C 3.36Å; T501-Q504 WeakPolarHBondContact O-CA 3.18Å; T501-Q504 PolarHBondContact O-N 3.13Å; A502-Q504 VanDerWaalsContact C-N 3.26Å; A502-Q504 PolarHBondContact O-N 3.4Å
505	Q	93.1	Very high	93.4	Very high	68 Å²	68	67.9 Å²	67.9	32%	0.318	34%	0.341	S	S	.	.	S	Bend	trans	-64.3	143.8	169.1	-73.8	169.8	5.8	0	0	110.1	T501 P507 P508	T501-Q505 PolarHBondContact O-N 2.96Å; T501-Q505 VanDerWaalsContact O-N 3.08Å; Q505-P507 CarbonylContact O-C 3.53Å; Q505-P508 WeakPolarHBondContact O-CA 3.37Å; Q505-P508 WeakPolarHBondContact O-CB 3.39Å; Q505-P508 WeakPolarHBondContact O-CD 3.34Å
506	D	90.1	Very high	93.5	Very high	161 Å²	161	68.8 Å²	68.8	86%	0.861	35%	0.346	S	S	*	.	S	Bend	trans	-122.6	112.3	176.6	-173.4	16.5	0	0	0	110.1
507	P	87.6	Confident	93.5	Very high	101 Å²	101	67.7 Å²	67.7	66%	0.656	34%	0.34	S	S	*	.	S	Bend	cis	-74.9	146.9	-8.1	32.1	-35	0	0	0	112.1	Q505	Q505-P507 CarbonylContact O-C 3.53Å
508	P	90.2	Very high	93.5	Very high	37 Å²	37	65.7 Å²	65.7	24%	0.24	33%	0.33	C	S	.	.			trans	-73.3	141.9	178.2	30.1	-34.4	0	0	0	110.9	Q505 P510 V574 V577	Q505-P508 WeakPolarHBondContact O-CA 3.37Å; Q505-P508 WeakPolarHBondContact O-CB 3.39Å; Q505-P508 WeakPolarHBondContact O-CD 3.34Å; P508-P510 WeakPolarHBondContact O-CD 3.28Å; P508-V574 HydrophobicContact CG-CG1 4.02Å; P508-V577 HydrophobicContact CB-CG2 3.93Å; P508-V577 HydrophobicContact CG-CG2 3.61Å
509	R	94.4	Very high	93.4	Very high	172 Å²	172	69.6 Å²	69.6	65%	0.649	34%	0.341	S	S	*	.			trans	-102.4	108.3	-173.7	-64.8	177.8	-178.6	-179.4	0.5	111.4	R511 H512 V513	R509-R511 PolarHBondContact O-N 3.04Å; R509-H512 HydrophobicContact CB-CB 3.9Å; R509-H512 WeakPolarHBondContact O-CB 3.31Å; R509-H512 PolarHBondContact O-N 3.24Å; R509-V513 PolarHBondContact O-N 3.34Å
510	P	94	Very high	93.3	Very high	34 Å²	34	69.7 Å²	69.7	22%	0.221	34%	0.342	C	S	.	.	H	α-helix	trans	-54.9	-48.9	-170.5	-25.9	31.1	0	0	0	115	P508 H512 V513 F514 V577 D580 I581	P508-P510 WeakPolarHBondContact O-CD 3.28Å; P510-H512 VanDerWaalsContact C-N 3.27Å; P510-H512 PolarHBondContact O-N 3.49Å; P510-V513 PolarHBondContact O-N 2.91Å; P510-F514 PolarHBondContact O-N 2.87Å; P510-V577 HydrophobicContact CB-CG1 4.48Å; P510-V577 HydrophobicContact CG-CG2 4.43Å; P510-D580 HydrophobicContact CB-CB 3.79Å; P510-D580 HydrophobicContact CG-CB 3.91Å; P510-D580 WeakPolarHBondContact CG-OD2 3.4Å; P510-I581 HydrophobicContact CB-CG2 3.77Å
511	R	93.3	Very high	93.2	Very high	218 Å²	218	68 Å²	68	82%	0.823	33%	0.333	S	S	*	.	H	α-helix	trans	-60.7	-33.6	177.8	-69.3	-176.9	177	176.6	-1.6	113.3	R509 S515	R509-R511 PolarHBondContact O-N 3.04Å; R511-S515 WeakPolarHBondContact O-CB 3.46Å; R511-S515 PolarHBondContact O-N 3.05Å; R511-S515 VanDerWaalsContact O-N 3.1Å
512	H	94.1	Very high	93	Very high	80 Å²	80	71.2 Å²	71.2	37%	0.37	34%	0.336	S	S	.	.	H	α-helix	trans	-75.1	-43.3	178.6	-174.6	61.7	0	0	0	111.1	R509 P510 F514 S515 L516	R509-H512 HydrophobicContact CB-CB 3.9Å; R509-H512 WeakPolarHBondContact O-CB 3.31Å; R509-H512 PolarHBondContact O-N 3.24Å; P510-H512 VanDerWaalsContact C-N 3.27Å; P510-H512 PolarHBondContact O-N 3.49Å; H512-F514 PolarHBondContact O-N 3.5Å; H512-S515 PolarHBondContact O-N 3.14Å; H512-L516 PolarHBondContact O-N 3.36Å
513	V	94.8	Very high	92.9	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-57.8	-47.2	172.9	172.4	0	0	0	0	110.9	Y499 A502 L503 R509 P510 L516 L517 L571 V577 I581	Y499-V513 HydrophobicContact CD2-CG1 4.2Å; Y499-V513 HydrophobicContact CE2-CG1 3.91Å; A502-V513 HydrophobicContact CB-CG2 4.05Å; L503-V513 HydrophobicContact CD2-CG1 3.64Å; L503-V513 HydrophobicContact CD2-CG2 4.25Å; L503-V513 HydrophobicContact CG-CG1 4.07Å; R509-V513 PolarHBondContact O-N 3.34Å; P510-V513 PolarHBondContact O-N 2.91Å; V513-L516 PolarHBondContact O-N 3.45Å; V513-L517 VanDerWaalsContact O-CB 3.31Å; V513-L517 WeakPolarHBondContact O-CB 3.39Å; V513-L517 PolarHBondContact O-N 3.09Å; V513-L571 HydrophobicContact CG1-CD2 4.15Å; V513-V577 HydrophobicContact CB-CG1 4.15Å; V513-V577 HydrophobicContact CG1-CG1 4Å; V513-V577 HydrophobicContact CG2-CG1 4.25Å; V513-I581 HydrophobicContact CG1-CD1 4.33Å
514	F	94.6	Very high	92.7	Very high	26 Å²	26	71 Å²	71	11%	0.114	34%	0.337	C	S	.	.	H	α-helix	trans	-63.5	-41.7	177.2	-179.8	-106.6	0	0	0	112.9	P510 H512 L516 L517 K518 I581 Q584 V585 L588	P510-F514 PolarHBondContact O-N 2.87Å; H512-F514 PolarHBondContact O-N 3.5Å; F514-L516 PolarHBondContact O-N 2.94Å; F514-L517 PolarHBondContact O-N 2.9Å; F514-K518 HydrophobicContact CE1-CD 4.19Å; F514-K518 HydrophobicContact CZ-CD 4.19Å; F514-K518 WeakPolarHBondContact O-CB 3.4Å; F514-K518 PolarHBondContact O-N 2.86Å; F514-I581 HydrophobicContact CB-CB 4.42Å; F514-I581 HydrophobicContact CB-CD1 4.33Å; F514-I581 HydrophobicContact CB-CG2 4.18Å; F514-Q584 HydrophobicContact CD1-CB 4.37Å; F514-Q584 HydrophobicContact CD2-CB 3.99Å; F514-Q584 HydrophobicContact CE1-CB 4.04Å; F514-Q584 HydrophobicContact CE2-CB 3.63Å; F514-Q584 WeakPolarHBondContact CE2-O 3.4Å; F514-Q584 HydrophobicContact CG-CB 4.36Å; F514-Q584 HydrophobicContact CZ-CB 3.66Å; F514-V585 HydrophobicContact CD2-CG2 3.97Å; F514-V585 HydrophobicContact CE2-CG2 4.11Å; F514-L588 HydrophobicContact CE2-CB 4.5Å; F514-L588 HydrophobicContact CE2-CD2 4.19Å
515	S	95	Very high	92.4	Very high	73 Å²	73	66.5 Å²	66.5	51%	0.51	32%	0.316	S	S	.	.	H	α-helix	trans	-60	-44.5	176.9	-175.2	0	0	0	0	112.2	R511 H512 K518 K519	R511-S515 WeakPolarHBondContact O-CB 3.46Å; R511-S515 PolarHBondContact O-N 3.05Å; R511-S515 VanDerWaalsContact O-N 3.1Å; H512-S515 PolarHBondContact O-N 3.14Å; S515-K518 PolarHBondContact O-N 3.43Å; S515-K519 PolarHBondContact O-N 2.89Å
516	L	95.6	Very high	92.1	Very high	23 Å²	23	69.3 Å²	69.3	12%	0.12	33%	0.327	C	S	.	.	H	α-helix	trans	-72.3	-35.5	178.3	-68.8	170.8	0	0	0	112.8	A502 H512 V513 F514 K519 Y520	A502-L516 HydrophobicContact CB-CD1 3.54Å; H512-L516 PolarHBondContact O-N 3.36Å; V513-L516 PolarHBondContact O-N 3.45Å; F514-L516 PolarHBondContact O-N 2.94Å; L516-K519 HydrophobicContact CD2-CD 4.41Å; L516-K519 WeakPolarHBondContact O-CB 3.43Å; L516-K519 PolarHBondContact O-N 3.28Å; L516-Y520 PolarHBondContact O-N 3.18Å
517	L	94.1	Very high	91.8	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60	-45	168.9	177.2	60	0	0	0	111.3	Y499 V513 F514 K519 Y520 V521 L568 L571 V585	Y499-L517 HydrophobicContact CD2-CB 3.89Å; Y499-L517 HydrophobicContact CD2-CD1 4.49Å; Y499-L517 HydrophobicContact CE1-CD1 4.31Å; Y499-L517 HydrophobicContact CE2-CB 3.83Å; Y499-L517 HydrophobicContact CE2-CD1 4.01Å; Y499-L517 HydrophobicContact CE2-CD2 4.44Å; Y499-L517 HydrophobicContact CE2-CG 4.31Å; V513-L517 VanDerWaalsContact O-CB 3.31Å; V513-L517 WeakPolarHBondContact O-CB 3.39Å; V513-L517 PolarHBondContact O-N 3.09Å; F514-L517 PolarHBondContact O-N 2.9Å; L517-K519 VanDerWaalsContact C-N 3.3Å; L517-K519 PolarHBondContact O-N 3.29Å; L517-Y520 PolarHBondContact O-N 3.22Å; L517-V521 HydrophobicContact CD1-CG2 4.12Å; L517-V521 HydrophobicContact CG-CG2 4.5Å; L517-V521 WeakPolarHBondContact O-CG2 3.48Å; L517-V521 PolarHBondContact O-N 2.9Å; L517-L568 HydrophobicContact CD1-CD2 3.9Å; L517-L568 HydrophobicContact CD2-CD2 3.9Å; L517-L568 HydrophobicContact CG-CD2 4.33Å; L517-L571 HydrophobicContact CD2-CD1 4.02Å; L517-V585 HydrophobicContact CD2-CG2 3.88Å
518	K	93.5	Very high	91.8	Very high	50 Å²	50	60.1 Å²	60.1	22%	0.217	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-33.4	175.7	-169.1	159.3	-172.3	154.7	0	111.8	F514 S515 R522 L588 E591	F514-K518 HydrophobicContact CE1-CD 4.19Å; F514-K518 HydrophobicContact CZ-CD 4.19Å; F514-K518 WeakPolarHBondContact O-CB 3.4Å; F514-K518 PolarHBondContact O-N 2.86Å; S515-K518 PolarHBondContact O-N 3.43Å; K518-R522 WeakPolarHBondContact O-CB 3.34Å; K518-R522 WeakPolarHBondContact O-CD 3.43Å; K518-R522 WeakPolarHBondContact O-CG 3.45Å; K518-R522 PolarHBondContact O-N 3.46Å; K518-R522 VanDerWaalsContact O-N 3.13Å; K518-L588 HydrophobicContact CB-CD2 4.38Å; K518-L588 HydrophobicContact CD-CD1 4.16Å; K518-L588 HydrophobicContact CG-CD1 4.06Å; K518-L588 HydrophobicContact CG-CD2 4.48Å; K518-E591 IonicContact NZ-OE1 3.9Å; K518-E591 IonicContact NZ-OE2 3.41Å
519	K	93.6	Very high	91.5	Very high	127 Å²	127	62 Å²	62	55%	0.552	27%	0.273	S	S	*	.	H	α-helix	trans	-65.1	-43.8	171.1	-170.9	179.5	-178.5	179.6	0	112	A495 S515 L516 L517 A523	A495-K519 HydrophobicContact CB-CG 4.37Å; S515-K519 PolarHBondContact O-N 2.89Å; L516-K519 HydrophobicContact CD2-CD 4.41Å; L516-K519 WeakPolarHBondContact O-CB 3.43Å; L516-K519 PolarHBondContact O-N 3.28Å; L517-K519 VanDerWaalsContact C-N 3.3Å; L517-K519 PolarHBondContact O-N 3.29Å; K519-A523 PolarHBondContact O-N 3.31Å
520	Y	94.3	Very high	90.9	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-48.8	176.7	169.6	-91.2	0	0	0	112.7	R492 A495 L496 L516 L517 R522 A523 E524 S567	R492-Y520 HydrophobicContact CG-CE2 3.99Å; A495-Y520 HydrophobicContact CB-CD2 4.39Å; L496-Y520 HydrophobicContact CB-CD2 3.67Å; L496-Y520 HydrophobicContact CB-CE2 3.62Å; L496-Y520 HydrophobicContact CD1-CD2 4.2Å; L496-Y520 HydrophobicContact CD1-CE2 3.8Å; L496-Y520 HydrophobicContact CD2-CE2 4.23Å; L496-Y520 HydrophobicContact CG-CD2 4.47Å; L496-Y520 HydrophobicContact CG-CE2 4.07Å; L516-Y520 PolarHBondContact O-N 3.18Å; L517-Y520 PolarHBondContact O-N 3.22Å; Y520-R522 PolarHBondContact O-N 2.95Å; Y520-A523 WeakPolarHBondContact O-CA 3.44Å; Y520-A523 WeakPolarHBondContact O-CB 3.4Å; Y520-A523 PolarHBondContact O-N 3.19Å; Y520-E524 HydrophobicContact CD1-CG 4.29Å; Y520-E524 HydrophobicContact CE1-CG 3.75Å; Y520-E524 HydrophobicContact CE2-CG 4.38Å; Y520-E524 VanDerWaalsContact CZ-OE1 3.3Å; Y520-E524 PolarHBondContact O-N 2.89Å; Y520-E524 VanDerWaalsContact O-N 3.09Å; Y520-E524 PolarHBondContact OH-OE1 3.49Å; Y520-S567 WeakPolarHBondContact CE1-OG 3.25Å; Y520-S567 PolarHBondContact OH-OG 2.98Å
521	V	91.7	Very high	90.4	Very high	3 Å²	3	55 Å²	55	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-59	-37.7	177.8	171.2	0	0	0	0	110.9	L517 A523 E524 Q525 M564 L588 Q592	L517-V521 HydrophobicContact CD1-CG2 4.12Å; L517-V521 HydrophobicContact CG-CG2 4.5Å; L517-V521 WeakPolarHBondContact O-CG2 3.48Å; L517-V521 PolarHBondContact O-N 2.9Å; V521-A523 VanDerWaalsContact C-N 3.31Å; V521-A523 PolarHBondContact O-N 3.23Å; V521-E524 PolarHBondContact O-N 3.43Å; V521-Q525 WeakPolarHBondContact O-CG 3.4Å; V521-Q525 PolarHBondContact O-N 3.25Å; V521-M564 HydrophobicContact CG1-SD 4.1Å; V521-M564 HydrophobicContact CG2-CG 4.46Å; V521-M564 HydrophobicContact CG2-SD 4.48Å; V521-L588 HydrophobicContact CB-CD2 4.31Å; V521-L588 HydrophobicContact CG1-CD2 4.37Å; V521-L588 HydrophobicContact CG1-CG 4.41Å; V521-L588 HydrophobicContact CG2-CD2 4.18Å; V521-Q592 HydrophobicContact CG1-CG 4.08Å
522	R	90.7	Very high	90	Very high	148 Å²	148	45.2 Å²	45.2	56%	0.558	21%	0.21	S	C	*	.	H	α-helix	trans	-64.3	-28.5	172.4	-78.1	170.3	166.4	-178.8	-6.4	114.1	K518 Y520 K526	K518-R522 WeakPolarHBondContact O-CB 3.34Å; K518-R522 WeakPolarHBondContact O-CD 3.43Å; K518-R522 WeakPolarHBondContact O-CG 3.45Å; K518-R522 PolarHBondContact O-N 3.46Å; K518-R522 VanDerWaalsContact O-N 3.13Å; Y520-R522 PolarHBondContact O-N 2.95Å; R522-K526 WeakPolarHBondContact O-CG 3.33Å; R522-K526 PolarHBondContact O-N 3.09Å
523	A	90.8	Very high	89.4	Confident	14 Å²	14	47.3 Å²	47.3	12%	0.116	22%	0.218	C	C	.	.	H	α-helix	trans	-71.9	-44.8	172.6	0	0	0	0	0	110.9	R492 K519 Y520 V521 Q525 K526 D527	R492-A523 HydrophobicContact CB-CB 4.47Å; K519-A523 PolarHBondContact O-N 3.31Å; Y520-A523 WeakPolarHBondContact O-CA 3.44Å; Y520-A523 WeakPolarHBondContact O-CB 3.4Å; Y520-A523 PolarHBondContact O-N 3.19Å; V521-A523 VanDerWaalsContact C-N 3.31Å; V521-A523 PolarHBondContact O-N 3.23Å; A523-Q525 VanDerWaalsContact C-N 3.34Å; A523-Q525 PolarHBondContact O-N 3.47Å; A523-K526 PolarHBondContact O-N 2.98Å; A523-K526 VanDerWaalsContact O-N 3.14Å; A523-D527 PolarHBondContact O-N 3.2Å
524	E	88.5	Confident	88.7	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.009	23%	0.231	C	C	.	.	H	α-helix	trans	-59.7	-40.9	174	-64.2	-71.5	-160.2	0	0	112.5	R492 Y520 V521 K526 D527 R528 I560 R563 M564	R492-E524 WeakPolarHBondContact CD-OE1 3.32Å; R492-E524 WeakPolarHBondContact CD-OE2 3.44Å; Y520-E524 HydrophobicContact CD1-CG 4.29Å; Y520-E524 HydrophobicContact CE1-CG 3.75Å; Y520-E524 HydrophobicContact CE2-CG 4.38Å; Y520-E524 VanDerWaalsContact CZ-OE1 3.3Å; Y520-E524 PolarHBondContact O-N 2.89Å; Y520-E524 VanDerWaalsContact O-N 3.09Å; Y520-E524 PolarHBondContact OH-OE1 3.49Å; V521-E524 PolarHBondContact O-N 3.43Å; E524-K526 VanDerWaalsContact C-N 3.34Å; E524-K526 PolarHBondContact O-N 2.88Å; E524-D527 PolarHBondContact O-N 3Å; E524-R528 WeakPolarHBondContact O-CB 3.41Å; E524-R528 PolarHBondContact O-N 2.92Å; E524-I560 HydrophobicContact CB-CG2 4.27Å; E524-R563 WeakPolarHBondContact OE1-CD 3.4Å; E524-R563 WeakPolarHBondContact OE1-CG 3.43Å; E524-R563 IonicContact OE1-CZ 3.46Å; E524-R563 IonicContact OE1-NE 3.87Å; E524-R563 PolarHBondContact OE1-NE 3.1Å; E524-R563 IonicContact OE1-NH2 2.79Å; E524-R563 IonicContact OE2-CZ 3.82Å; E524-R563 IonicContact OE2-NE 3.14Å; E524-R563 PolarHBondContact OE2-NE 2.86Å; E524-R563 IonicContact OE2-NH2 2.69Å; E524-R563 PolarHBondContact OE2-NH2 3.02Å; E524-M564 HydrophobicContact CG-CB 4.48Å
525	Q	87.6	Confident	88.2	Confident	57 Å²	57	49.8 Å²	49.8	27%	0.266	23%	0.229	S	C	.	.	H	α-helix	trans	-60.1	-41.1	173.6	-76.8	-174.3	-48.8	0	0	112.7	V521 A523 Q529	V521-Q525 WeakPolarHBondContact O-CG 3.4Å; V521-Q525 PolarHBondContact O-N 3.25Å; A523-Q525 VanDerWaalsContact C-N 3.34Å; A523-Q525 PolarHBondContact O-N 3.47Å; Q525-Q529 WeakPolarHBondContact O-CB 3.43Å; Q525-Q529 PolarHBondContact O-N 2.7Å
526	K	85.8	Confident	87.7	Confident	127 Å²	127	49.4 Å²	49.4	55%	0.552	22%	0.219	S	C	*	.	H	α-helix	trans	-67.2	-41.5	178.2	-76.4	-177.3	176.4	-170.7	0	111.5	L488 R522 A523 E524 Q529 H530	L488-K526 HydrophobicContact CD2-CB 3.78Å; R522-K526 WeakPolarHBondContact O-CG 3.33Å; R522-K526 PolarHBondContact O-N 3.09Å; A523-K526 PolarHBondContact O-N 2.98Å; A523-K526 VanDerWaalsContact O-N 3.14Å; E524-K526 VanDerWaalsContact C-N 3.34Å; E524-K526 PolarHBondContact O-N 2.88Å; K526-Q529 PolarHBondContact O-N 3.26Å; K526-H530 VanDerWaalsContact O-CB 3.27Å; K526-H530 WeakPolarHBondContact O-CB 3.44Å; K526-H530 PolarHBondContact O-N 3.12Å
527	D	84.9	Confident	86.9	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.027	24%	0.235	C	C	.	.	H	α-helix	trans	-59.9	-48.3	174.7	-170.6	6.7	0	0	0	111.6	R492 A523 E524 Q529 H530 T531 H556 I560 R563	R492-D527 IonicContact NH1-OD2 2.69Å; R492-D527 PolarHBondContact NH1-OD2 2.78Å; A523-D527 PolarHBondContact O-N 3.2Å; E524-D527 PolarHBondContact O-N 3Å; D527-Q529 PolarHBondContact O-N 3.42Å; D527-H530 PolarHBondContact O-N 2.93Å; D527-T531 WeakPolarHBondContact O-CB 3.32Å; D527-T531 PolarHBondContact O-N 3.31Å; D527-T531 PolarHBondContact O-OG1 2.72Å; D527-H556 IonicContact OD1-CE1 3.09Å; D527-H556 PolarHBondContact OD1-CE1 3.45Å; D527-H556 VanDerWaalsContact OD1-CE1 3.22Å; D527-H556 IonicContact OD2-CE1 3.72Å; D527-H556 IonicContact OD2-NE2 2.66Å; D527-I560 HydrophobicContact CB-CD1 4.44Å; D527-R563 IonicContact OD2-CZ 2.8Å; D527-R563 IonicContact OD2-NH2 3.25Å; D527-R563 PolarHBondContact OD2-NH2 3.03Å
528	R	85.8	Confident	86.2	Confident	64 Å²	64	53.4 Å²	53.4	24%	0.242	24%	0.238	C	C	.	.	H	α-helix	trans	-58.5	-46.9	173.3	-174.9	174.3	177.4	-82.2	-7.7	112.7	E524 L532 L557 I560 M595 A596	E524-R528 WeakPolarHBondContact O-CB 3.41Å; E524-R528 PolarHBondContact O-N 2.92Å; R528-L532 HydrophobicContact CG-CD1 4.07Å; R528-L532 WeakPolarHBondContact O-CD1 3.2Å; R528-L532 VanDerWaalsContact O-CG 3.3Å; R528-L532 WeakPolarHBondContact O-CG 3.46Å; R528-L532 PolarHBondContact O-N 2.94Å; R528-L532 VanDerWaalsContact O-N 3.1Å; R528-L557 HydrophobicContact CG-CD2 3.82Å; R528-I560 HydrophobicContact CB-CD1 4.3Å; R528-I560 HydrophobicContact CB-CG2 4.3Å; R528-M595 PolarHBondContact NH1-O 3.43Å; R528-A596 VanDerWaalsContact NH2-CA 3.29Å; R528-A596 PolarHBondContact NH2-O 2.86Å
529	Q	84.1	Confident	85.8	Confident	76 Å²	76	54.3 Å²	54.3	36%	0.355	24%	0.24	S	C	.	.	H	α-helix	trans	-67.7	-40.4	-178.9	-165.7	-170	48.4	0	0	111.7	Q525 K526 D527 L532 K533	Q525-Q529 WeakPolarHBondContact O-CB 3.43Å; Q525-Q529 PolarHBondContact O-N 2.7Å; K526-Q529 PolarHBondContact O-N 3.26Å; D527-Q529 PolarHBondContact O-N 3.42Å; Q529-L532 PolarHBondContact O-N 3.02Å; Q529-K533 HydrophobicContact CG-CD 4.25Å; Q529-K533 WeakPolarHBondContact O-CB 3.12Å; Q529-K533 WeakPolarHBondContact O-CG 3.43Å; Q529-K533 PolarHBondContact O-N 2.77Å
530	H	82.4	Confident	85.2	Confident	42 Å²	42	54.7 Å²	54.7	19%	0.194	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-50	175.8	178.2	-122.6	0	0	0	111.3	M481 L488 K526 D527 L532 K533 H534	M481-H530 WeakPolarHBondContact CE-CE1 3.26Å; L488-H530 HydrophobicContact CD1-CB 3.9Å; K526-H530 VanDerWaalsContact O-CB 3.27Å; K526-H530 WeakPolarHBondContact O-CB 3.44Å; K526-H530 PolarHBondContact O-N 3.12Å; D527-H530 PolarHBondContact O-N 2.93Å; H530-L532 VanDerWaalsContact C-N 3.27Å; H530-L532 PolarHBondContact O-N 3.38Å; H530-K533 PolarHBondContact O-N 3.33Å; H530-H534 WeakPolarHBondContact O-CB 3.49Å; H530-H534 PolarHBondContact O-N 2.81Å
531	T	83.9	Confident	84.5	Confident	17 Å²	17	59.6 Å²	59.6	10%	0.104	28%	0.276	C	S	.	.	H	α-helix	trans	-53.1	-43.2	175.2	-67	0	0	0	0	112	D527 F535 V553 H556 L557	D527-T531 WeakPolarHBondContact O-CB 3.32Å; D527-T531 PolarHBondContact O-N 3.31Å; D527-T531 PolarHBondContact O-OG1 2.72Å; T531-F535 WeakPolarHBondContact O-CB 3.49Å; T531-F535 PolarHBondContact O-N 2.66Å; T531-V553 HydrophobicContact CG2-CG1 3.98Å; T531-H556 PolarHBondContact OG1-ND1 2.9Å; T531-L557 HydrophobicContact CG2-CD2 3.85Å; T531-L557 HydrophobicContact CG2-CG 3.97Å
532	L	84.1	Confident	83.9	Confident	14 Å²	14	62.4 Å²	62.4	7%	0.073	29%	0.29	C	S	.	.	H	α-helix	trans	-71.4	-46.4	179.3	-72.3	165.9	0	0	0	112.9	R528 Q529 H530 H534 F535 E536 L557 L599 Q603	R528-L532 HydrophobicContact CG-CD1 4.07Å; R528-L532 WeakPolarHBondContact O-CD1 3.2Å; R528-L532 VanDerWaalsContact O-CG 3.3Å; R528-L532 WeakPolarHBondContact O-CG 3.46Å; R528-L532 PolarHBondContact O-N 2.94Å; R528-L532 VanDerWaalsContact O-N 3.1Å; Q529-L532 PolarHBondContact O-N 3.02Å; H530-L532 VanDerWaalsContact C-N 3.27Å; H530-L532 PolarHBondContact O-N 3.38Å; L532-H534 VanDerWaalsContact C-N 3.35Å; L532-H534 PolarHBondContact O-N 3.27Å; L532-F535 PolarHBondContact O-N 3.22Å; L532-E536 WeakPolarHBondContact O-CB 3.47Å; L532-E536 PolarHBondContact O-N 3.19Å; L532-L557 HydrophobicContact CD1-CD2 4.35Å; L532-L557 HydrophobicContact CD2-CD1 3.76Å; L532-L557 HydrophobicContact CD2-CD2 4.25Å; L532-L557 HydrophobicContact CG-CD1 4.39Å; L532-L557 HydrophobicContact CG-CD2 3.99Å; L532-L599 HydrophobicContact CD1-CB 4.13Å; L532-L599 HydrophobicContact CD1-CD1 3.91Å; L532-Q603 VanDerWaalsContact CD2-NE2 3.28Å
533	K	81.6	Confident	83.7	Confident	124 Å²	124	59.5 Å²	59.5	54%	0.539	29%	0.291	S	S	.	.	H	α-helix	trans	-61.6	-40.5	177.6	-77	179.3	173.1	179.2	0	112.2	Q529 H530 E536 H537	Q529-K533 HydrophobicContact CG-CD 4.25Å; Q529-K533 WeakPolarHBondContact O-CB 3.12Å; Q529-K533 WeakPolarHBondContact O-CG 3.43Å; Q529-K533 PolarHBondContact O-N 2.77Å; H530-K533 PolarHBondContact O-N 3.33Å; K533-E536 PolarHBondContact O-N 3.45Å; K533-H537 PolarHBondContact O-N 3.32Å
534	H	81.3	Confident	83.6	Confident	59 Å²	59	66.4 Å²	66.4	27%	0.273	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-48.2	173.8	178.3	84.4	0	0	0	111.5	M481 H530 L532 E536 H537 V538	M481-H534 HydrophobicContact CE-CB 3.95Å; M481-H534 VanDerWaalsContact CE-ND1 3.27Å; M481-H534 WeakPolarHBondContact CE-ND1 3.25Å; M481-H534 HydrophobicContact SD-CB 4.34Å; M481-H534 PolarHBondContact SD-ND1 2.89Å; H530-H534 WeakPolarHBondContact O-CB 3.49Å; H530-H534 PolarHBondContact O-N 2.81Å; L532-H534 VanDerWaalsContact C-N 3.35Å; L532-H534 PolarHBondContact O-N 3.27Å; H534-E536 VanDerWaalsContact C-N 3.29Å; H534-E536 PolarHBondContact O-N 2.97Å; H534-H537 PolarHBondContact O-N 3.2Å; H534-V538 WeakPolarHBondContact O-CG2 3.43Å; H534-V538 PolarHBondContact O-N 3.49Å
535	F	82.5	Confident	83.2	Confident	18 Å²	18	70.4 Å²	70.4	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-61.5	-37.1	178	179	-107.5	0	0	0	112.8	T531 L532 R539 A546 I549 R550 V553	T531-F535 WeakPolarHBondContact O-CB 3.49Å; T531-F535 PolarHBondContact O-N 2.66Å; L532-F535 PolarHBondContact O-N 3.22Å; F535-R539 VanDerWaalsContact O-CB 3.3Å; F535-R539 WeakPolarHBondContact O-CB 3.11Å; F535-R539 PolarHBondContact O-N 3.49Å; F535-A546 HydrophobicContact CE2-CB 4.37Å; F535-A546 WeakPolarHBondContact CE2-O 3.27Å; F535-I549 HydrophobicContact CD2-CD1 4.11Å; F535-I549 HydrophobicContact CD2-CG1 4.07Å; F535-I549 HydrophobicContact CE2-CG1 4.3Å; F535-R550 HydrophobicContact CE2-CB 3.83Å; F535-R550 HydrophobicContact CE2-CG 4.13Å; F535-R550 HydrophobicContact CZ-CB 4.05Å; F535-R550 HydrophobicContact CZ-CG 3.86Å; F535-V553 HydrophobicContact CB-CG1 4Å; F535-V553 HydrophobicContact CB-CG2 4.16Å; F535-V553 HydrophobicContact CD2-CB 4.28Å; F535-V553 HydrophobicContact CD2-CG1 4.26Å; F535-V553 HydrophobicContact CD2-CG2 3.86Å; F535-V553 HydrophobicContact CG-CG1 4.01Å; F535-V553 HydrophobicContact CG-CG2 4.27Å
536	E	84.4	Confident	82.9	Confident	65 Å²	65	67.8 Å²	67.8	30%	0.304	32%	0.324	S	S	.	.	H	α-helix	trans	-66.4	-45.3	174.6	172.9	151.1	-112.2	0	0	112.8	L532 K533 H534 V538 R539 M540	L532-E536 WeakPolarHBondContact O-CB 3.47Å; L532-E536 PolarHBondContact O-N 3.19Å; K533-E536 PolarHBondContact O-N 3.45Å; H534-E536 VanDerWaalsContact C-N 3.29Å; H534-E536 PolarHBondContact O-N 2.97Å; E536-V538 PolarHBondContact O-N 2.83Å; E536-R539 WeakPolarHBondContact O-CB 3.32Å; E536-R539 PolarHBondContact O-N 3.16Å; E536-R539 VanDerWaalsContact O-N 3.15Å; E536-R539 IonicContact OE1-CZ 3.83Å; E536-R539 IonicContact OE1-NH2 3.23Å; E536-R539 PolarHBondContact OE1-NH2 3.05Å; E536-M540 HydrophobicContact CG-CE 4.06Å; E536-M540 PolarHBondContact O-N 3.49Å
537	H	79.5	Confident	83	Confident	97 Å²	97	64.4 Å²	64.4	45%	0.449	32%	0.32	S	S	.	.	H	α-helix	trans	-58.6	-47.4	173.9	177	75.3	0	0	0	111.3	K533 H534 R539 M540 V541	K533-H537 PolarHBondContact O-N 3.32Å; H534-H537 PolarHBondContact O-N 3.2Å; H537-R539 VanDerWaalsContact C-N 3.31Å; H537-R539 PolarHBondContact O-N 3.38Å; H537-M540 PolarHBondContact O-N 2.81Å; H537-M540 VanDerWaalsContact O-N 3.14Å; H537-V541 WeakPolarHBondContact O-CG2 3.47Å; H537-V541 PolarHBondContact O-N 2.91Å
538	V	80	Confident	83.1	Confident	11 Å²	11	71 Å²	71	7%	0.067	35%	0.35	C	S	.	.	H	α-helix	trans	-64.7	-34.3	176	-179.7	0	0	0	0	111.5	H534 E536 M540 V541 D542 K545 A546 I549	H534-V538 WeakPolarHBondContact O-CG2 3.43Å; H534-V538 PolarHBondContact O-N 3.49Å; E536-V538 PolarHBondContact O-N 2.83Å; V538-M540 VanDerWaalsContact C-N 3.29Å; V538-M540 PolarHBondContact O-N 2.83Å; V538-V541 PolarHBondContact O-N 2.87Å; V538-D542 CarbonylContact O-C 3.18Å; V538-D542 PolarHBondContact O-N 2.75Å; V538-K545 HydrophobicContact CG1-CB 3.99Å; V538-K545 HydrophobicContact CG1-CD 4.25Å; V538-K545 HydrophobicContact CG1-CG 3.95Å; V538-A546 HydrophobicContact CG1-CB 4.11Å; V538-I549 HydrophobicContact CB-CD1 4.09Å; V538-I549 HydrophobicContact CG1-CD1 3.88Å; V538-I549 HydrophobicContact CG2-CD1 4.25Å
539	R	85.1	Confident	82.9	Confident	68 Å²	68	69.4 Å²	69.4	26%	0.257	35%	0.346	S	S	.	.	H	α-helix	trans	-58.8	-38.2	172.4	169.8	175.9	75.5	162.8	-7.1	112.2	F535 E536 H537 A546 L602 S606	F535-R539 VanDerWaalsContact O-CB 3.3Å; F535-R539 WeakPolarHBondContact O-CB 3.11Å; F535-R539 PolarHBondContact O-N 3.49Å; E536-R539 WeakPolarHBondContact O-CB 3.32Å; E536-R539 PolarHBondContact O-N 3.16Å; E536-R539 VanDerWaalsContact O-N 3.15Å; E536-R539 IonicContact OE1-CZ 3.83Å; E536-R539 IonicContact OE1-NH2 3.23Å; E536-R539 PolarHBondContact OE1-NH2 3.05Å; H537-R539 VanDerWaalsContact C-N 3.31Å; H537-R539 PolarHBondContact O-N 3.38Å; R539-A546 HydrophobicContact CB-CB 4.3Å; R539-L602 PolarHBondContact NH1-O 2.97Å; R539-L602 PolarHBondContact NH2-O 2.93Å; R539-S606 PolarHBondContact NH1-OG 3.45Å
540	M	79.8	Confident	82.9	Confident	136 Å²	136	71.9 Å²	71.9	67%	0.67	35%	0.352	S	S	*	.	H	α-helix	trans	-79.6	-40	179.3	-66.5	-173.2	-69	0	0	113	E536 H537 V538	E536-M540 HydrophobicContact CG-CE 4.06Å; E536-M540 PolarHBondContact O-N 3.49Å; H537-M540 PolarHBondContact O-N 2.81Å; H537-M540 VanDerWaalsContact O-N 3.14Å; V538-M540 VanDerWaalsContact C-N 3.29Å; V538-M540 PolarHBondContact O-N 2.83Å
541	V	79.8	Confident	83	Confident	105 Å²	105	73.6 Å²	73.6	64%	0.636	37%	0.367	S	S	*	.	H	α-helix	trans	-84.4	-44	-175.1	178.9	0	0	0	0	113.1	H537 V538	H537-V541 WeakPolarHBondContact O-CG2 3.47Å; H537-V541 PolarHBondContact O-N 2.91Å; V538-V541 PolarHBondContact O-N 2.87Å
542	D	79.7	Confident	82.9	Confident	61 Å²	61	79.2 Å²	79.2	33%	0.326	39%	0.392	S	S	.	.			trans	-140.9	94.9	175.5	-177.8	-2.9	0	0	0	111.7	V538 K544 K545 A546	V538-D542 CarbonylContact O-C 3.18Å; V538-D542 PolarHBondContact O-N 2.75Å; D542-K544 PolarHBondContact O-N 2.91Å; D542-K544 VanDerWaalsContact O-N 3.1Å; D542-K544 WeakPolarHBondContact OD1-CA 3.48Å; D542-K544 VanDerWaalsContact OD1-CB 3.24Å; D542-K544 WeakPolarHBondContact OD1-CB 3.36Å; D542-K544 PolarHBondContact OD1-N 2.99Å; D542-K545 HydrophobicContact CB-CB 3.88Å; D542-K545 VanDerWaalsContact CG-N 3.32Å; D542-K545 PolarHBondContact O-N 3.3Å; D542-K545 VanDerWaalsContact O-N 3.16Å; D542-K545 PolarHBondContact OD1-N 3.47Å; D542-K545 VanDerWaalsContact OD1-N 3.1Å; D542-K545 VanDerWaalsContact OD2-CB 3.26Å; D542-K545 WeakPolarHBondContact OD2-CB 3.33Å; D542-K545 PolarHBondContact OD2-N 3.27Å; D542-A546 WeakPolarHBondContact O-CB 3.44Å; D542-A546 PolarHBondContact O-N 3Å
543	P	86.5	Confident	82.8	Confident	88 Å²	88	79.4 Å²	79.4	57%	0.571	39%	0.394	S	S	*	.	H	α-helix	trans	-63.4	-17	178.1	25.2	-34.3	0	0	0	113.9	A547	P543-A547 WeakPolarHBondContact O-CB 3.25Å; P543-A547 PolarHBondContact O-N 3.3Å; P543-A547 VanDerWaalsContact O-N 3.08Å
544	K	87.8	Confident	82.8	Confident	158 Å²	158	77.8 Å²	77.8	69%	0.687	39%	0.391	S	S	*	.	H	α-helix	trans	-81.5	-41.2	174.3	-57.1	171	-176	163.7	0	111.4	D542 A546 A547 Q548	D542-K544 PolarHBondContact O-N 2.91Å; D542-K544 VanDerWaalsContact O-N 3.1Å; D542-K544 WeakPolarHBondContact OD1-CA 3.48Å; D542-K544 VanDerWaalsContact OD1-CB 3.24Å; D542-K544 WeakPolarHBondContact OD1-CB 3.36Å; D542-K544 PolarHBondContact OD1-N 2.99Å; K544-A546 VanDerWaalsContact C-N 3.35Å; K544-A547 PolarHBondContact O-N 2.87Å; K544-Q548 WeakPolarHBondContact O-CG 3.41Å; K544-Q548 PolarHBondContact O-N 3.34Å; K544-Q548 PolarHBondContact O-NE2 2.87Å
545	K	81.1	Confident	83	Confident	87 Å²	87	78.3 Å²	78.3	38%	0.378	40%	0.398	S	S	.	.	H	α-helix	trans	-64.1	-42.6	169.9	-171.5	174.1	-176.6	178.1	0	109.9	V538 D542 A547 Q548 I549	V538-K545 HydrophobicContact CG1-CB 3.99Å; V538-K545 HydrophobicContact CG1-CD 4.25Å; V538-K545 HydrophobicContact CG1-CG 3.95Å; D542-K545 HydrophobicContact CB-CB 3.88Å; D542-K545 VanDerWaalsContact CG-N 3.32Å; D542-K545 PolarHBondContact O-N 3.3Å; D542-K545 VanDerWaalsContact O-N 3.16Å; D542-K545 PolarHBondContact OD1-N 3.47Å; D542-K545 VanDerWaalsContact OD1-N 3.1Å; D542-K545 VanDerWaalsContact OD2-CB 3.26Å; D542-K545 WeakPolarHBondContact OD2-CB 3.33Å; D542-K545 PolarHBondContact OD2-N 3.27Å; K545-A547 VanDerWaalsContact C-N 3.35Å; K545-A547 PolarHBondContact O-N 2.98Å; K545-Q548 WeakPolarHBondContact O-CB 3.44Å; K545-Q548 PolarHBondContact O-N 3.48Å; K545-I549 PolarHBondContact O-N 3.48Å
546	A	81.5	Confident	82.9	Confident	2 Å²	2	80 Å²	80	2%	0.017	41%	0.406	C	S	.	.	H	α-helix	trans	-56.8	-44.3	174	0	0	0	0	0	112.6	F535 V538 R539 D542 K544 Q548 I549 R550	F535-A546 HydrophobicContact CE2-CB 4.37Å; F535-A546 WeakPolarHBondContact CE2-O 3.27Å; V538-A546 HydrophobicContact CG1-CB 4.11Å; R539-A546 HydrophobicContact CB-CB 4.3Å; D542-A546 WeakPolarHBondContact O-CB 3.44Å; D542-A546 PolarHBondContact O-N 3Å; K544-A546 VanDerWaalsContact C-N 3.35Å; A546-Q548 VanDerWaalsContact C-N 3.25Å; A546-Q548 PolarHBondContact O-N 2.89Å; A546-I549 PolarHBondContact O-N 3.38Å; A546-R550 WeakPolarHBondContact O-CB 3.32Å; A546-R550 PolarHBondContact O-N 3.07Å
547	A	87.6	Confident	83	Confident	56 Å²	56	78.2 Å²	78.2	46%	0.463	40%	0.399	S	S	.	.	H	α-helix	trans	-63.4	-29.3	175.8	0	0	0	0	0	113.4	P543 K544 K545	P543-A547 WeakPolarHBondContact O-CB 3.25Å; P543-A547 PolarHBondContact O-N 3.3Å; P543-A547 VanDerWaalsContact O-N 3.08Å; K544-A547 PolarHBondContact O-N 2.87Å; K545-A547 VanDerWaalsContact C-N 3.35Å; K545-A547 PolarHBondContact O-N 2.98Å
548	Q	87.2	Confident	83.3	Confident	143 Å²	143	80.2 Å²	80.2	67%	0.668	40%	0.402	S	S	*	.	H	α-helix	trans	-78.2	-43.2	177.5	-70.5	168.6	70.6	0	0	112.8	K544 K545 A546 P551	K544-Q548 WeakPolarHBondContact O-CG 3.41Å; K544-Q548 PolarHBondContact O-N 3.34Å; K544-Q548 PolarHBondContact O-NE2 2.87Å; K545-Q548 WeakPolarHBondContact O-CB 3.44Å; K545-Q548 PolarHBondContact O-N 3.48Å; A546-Q548 VanDerWaalsContact C-N 3.25Å; A546-Q548 PolarHBondContact O-N 2.89Å; Q548-P551 WeakPolarHBondContact O-CD 3.49Å
549	I	80.4	Confident	83.6	Confident	30 Å²	30	80.7 Å²	80.7	15%	0.154	41%	0.405	C	S	.	.	H	α-helix	trans	-80.7	-18.8	-178.1	67.4	171.6	0	0	0	113.7	F535 V538 K545 A546 P551 Q552 V553	F535-I549 HydrophobicContact CD2-CD1 4.11Å; F535-I549 HydrophobicContact CD2-CG1 4.07Å; F535-I549 HydrophobicContact CE2-CG1 4.3Å; V538-I549 HydrophobicContact CB-CD1 4.09Å; V538-I549 HydrophobicContact CG1-CD1 3.88Å; V538-I549 HydrophobicContact CG2-CD1 4.25Å; K545-I549 PolarHBondContact O-N 3.48Å; A546-I549 PolarHBondContact O-N 3.38Å; I549-P551 VanDerWaalsContact C-N 3.32Å; I549-P551 VanDerWaalsContact O-N 3.14Å; I549-Q552 WeakPolarHBondContact O-CA 3.24Å; I549-Q552 WeakPolarHBondContact O-CB 3.42Å; I549-Q552 PolarHBondContact O-N 3.28Å; I549-V553 HydrophobicContact CD1-CG2 4.44Å; I549-V553 HydrophobicContact CG1-CG2 4.41Å; I549-V553 PolarHBondContact O-N 3.31Å
550	R	84.6	Confident	83.6	Confident	128 Å²	128	77.6 Å²	77.6	48%	0.483	39%	0.393	S	S	.	.	H	α-helix	trans	-47.1	-42.5	-178.4	-170.8	-177.3	-56.8	-178.9	-0.7	114.6	F535 A546 V553 L554	F535-R550 HydrophobicContact CE2-CB 3.83Å; F535-R550 HydrophobicContact CE2-CG 4.13Å; F535-R550 HydrophobicContact CZ-CB 4.05Å; F535-R550 HydrophobicContact CZ-CG 3.86Å; A546-R550 WeakPolarHBondContact O-CB 3.32Å; A546-R550 PolarHBondContact O-N 3.07Å; R550-V553 PolarHBondContact O-N 3.2Å; R550-L554 HydrophobicContact CG-CD1 4.02Å; R550-L554 HydrophobicContact CG-CG 4.43Å; R550-L554 WeakPolarHBondContact O-CB 3.37Å; R550-L554 VanDerWaalsContact O-CG 3.31Å; R550-L554 WeakPolarHBondContact O-CG 3.38Å; R550-L554 PolarHBondContact O-N 3.25Å
551	P	84.4	Confident	83.8	Confident	79 Å²	79	76.7 Å²	76.7	51%	0.513	39%	0.388	S	S	.	.	H	α-helix	trans	-68.1	-32.9	178.2	-19.6	34.9	0	0	0	113.2	Q548 I549 T555	Q548-P551 WeakPolarHBondContact O-CD 3.49Å; I549-P551 VanDerWaalsContact C-N 3.32Å; I549-P551 VanDerWaalsContact O-N 3.14Å; P551-T555 WeakPolarHBondContact O-CB 3.36Å; P551-T555 PolarHBondContact O-N 3.47Å; P551-T555 VanDerWaalsContact O-N 3.12Å; P551-T555 PolarHBondContact O-OG1 3.48Å
552	Q	81.1	Confident	84.1	Confident	135 Å²	135	75.2 Å²	75.2	63%	0.631	37%	0.374	S	S	*	.	H	α-helix	trans	-68.6	-48	175.2	-64.1	167.3	-67.4	0	0	110.3	I549 L554 T555 H556	I549-Q552 WeakPolarHBondContact O-CA 3.24Å; I549-Q552 WeakPolarHBondContact O-CB 3.42Å; I549-Q552 PolarHBondContact O-N 3.28Å; Q552-L554 PolarHBondContact O-N 3.02Å; Q552-T555 WeakPolarHBondContact O-CA 3.27Å; Q552-T555 WeakPolarHBondContact O-CB 3.39Å; Q552-T555 PolarHBondContact O-N 3.1Å; Q552-H556 PolarHBondContact O-N 2.95Å
553	V	82.4	Confident	84.4	Confident	17 Å²	17	73.4 Å²	73.4	10%	0.103	36%	0.362	C	S	.	.	H	α-helix	trans	-56.2	-48.6	175.2	171.9	0	0	0	0	111.5	T531 F535 I549 R550 T555 H556 L557	T531-V553 HydrophobicContact CG2-CG1 3.98Å; F535-V553 HydrophobicContact CB-CG1 4Å; F535-V553 HydrophobicContact CB-CG2 4.16Å; F535-V553 HydrophobicContact CD2-CB 4.28Å; F535-V553 HydrophobicContact CD2-CG1 4.26Å; F535-V553 HydrophobicContact CD2-CG2 3.86Å; F535-V553 HydrophobicContact CG-CG1 4.01Å; F535-V553 HydrophobicContact CG-CG2 4.27Å; I549-V553 HydrophobicContact CD1-CG2 4.44Å; I549-V553 HydrophobicContact CG1-CG2 4.41Å; I549-V553 PolarHBondContact O-N 3.31Å; R550-V553 PolarHBondContact O-N 3.2Å; V553-T555 PolarHBondContact O-N 2.99Å; V553-H556 PolarHBondContact O-N 2.68Å; V553-L557 HydrophobicContact CG1-CD1 3.87Å; V553-L557 HydrophobicContact CG1-CG 4.46Å; V553-L557 VanDerWaalsContact O-CG 3.27Å; V553-L557 WeakPolarHBondContact O-CG 3.47Å; V553-L557 PolarHBondContact O-N 3.34Å
554	L	82.4	Confident	84.5	Confident	91 Å²	91	70.6 Å²	70.6	48%	0.476	34%	0.342	S	S	.	.	H	α-helix	trans	-65.3	-22	176.3	-71.2	172.8	0	0	0	113.8	R550 Q552	R550-L554 HydrophobicContact CG-CD1 4.02Å; R550-L554 HydrophobicContact CG-CG 4.43Å; R550-L554 WeakPolarHBondContact O-CB 3.37Å; R550-L554 VanDerWaalsContact O-CG 3.31Å; R550-L554 WeakPolarHBondContact O-CG 3.38Å; R550-L554 PolarHBondContact O-N 3.25Å; Q552-L554 PolarHBondContact O-N 3.02Å
555	T	84.7	Confident	84.5	Confident	69 Å²	69	66.9 Å²	66.9	42%	0.423	33%	0.329	S	S	.	.	H	α-helix	trans	-80.2	-45.1	174.2	-56.4	0	0	0	0	109.7	P551 Q552 V553 L557 R558 V559	P551-T555 WeakPolarHBondContact O-CB 3.36Å; P551-T555 PolarHBondContact O-N 3.47Å; P551-T555 VanDerWaalsContact O-N 3.12Å; P551-T555 PolarHBondContact O-OG1 3.48Å; Q552-T555 WeakPolarHBondContact O-CA 3.27Å; Q552-T555 WeakPolarHBondContact O-CB 3.39Å; Q552-T555 PolarHBondContact O-N 3.1Å; V553-T555 PolarHBondContact O-N 2.99Å; T555-L557 PolarHBondContact O-N 3.02Å; T555-R558 PolarHBondContact O-N 3.41Å; T555-V559 WeakPolarHBondContact O-CG2 3.3Å; T555-V559 PolarHBondContact O-N 2.93Å
556	H	82.1	Confident	84.9	Confident	55 Å²	55	65.9 Å²	65.9	26%	0.255	33%	0.326	S	S	.	.	H	α-helix	trans	-60.9	-44.6	177.5	-166.3	-137	0	0	0	112.4	D527 T531 Q552 V553 R558 V559 I560	D527-H556 IonicContact OD1-CE1 3.09Å; D527-H556 PolarHBondContact OD1-CE1 3.45Å; D527-H556 VanDerWaalsContact OD1-CE1 3.22Å; D527-H556 IonicContact OD2-CE1 3.72Å; D527-H556 IonicContact OD2-NE2 2.66Å; T531-H556 PolarHBondContact OG1-ND1 2.9Å; Q552-H556 PolarHBondContact O-N 2.95Å; V553-H556 PolarHBondContact O-N 2.68Å; H556-R558 VanDerWaalsContact C-N 3.28Å; H556-R558 PolarHBondContact O-N 2.92Å; H556-V559 PolarHBondContact O-N 3.35Å; H556-V559 VanDerWaalsContact O-N 3.09Å; H556-I560 WeakPolarHBondContact O-CG1 3.38Å; H556-I560 PolarHBondContact O-N 2.86Å
557	L	84.9	Confident	85.3	Confident	27 Å²	27	66 Å²	66	14%	0.141	33%	0.327	C	S	.	.	H	α-helix	trans	-60	-36	176.6	-67.5	169.1	0	0	0	112.9	R528 T531 L532 V553 T555 E561	R528-L557 HydrophobicContact CG-CD2 3.82Å; T531-L557 HydrophobicContact CG2-CD2 3.85Å; T531-L557 HydrophobicContact CG2-CG 3.97Å; L532-L557 HydrophobicContact CD1-CD2 4.35Å; L532-L557 HydrophobicContact CD2-CD1 3.76Å; L532-L557 HydrophobicContact CD2-CD2 4.25Å; L532-L557 HydrophobicContact CG-CD1 4.39Å; L532-L557 HydrophobicContact CG-CD2 3.99Å; V553-L557 HydrophobicContact CG1-CD1 3.87Å; V553-L557 HydrophobicContact CG1-CG 4.46Å; V553-L557 VanDerWaalsContact O-CG 3.27Å; V553-L557 WeakPolarHBondContact O-CG 3.47Å; V553-L557 PolarHBondContact O-N 3.34Å; T555-L557 PolarHBondContact O-N 3.02Å; L557-E561 PolarHBondContact O-N 2.95Å
558	R	85.4	Confident	85.4	Confident	139 Å²	139	64 Å²	64	53%	0.525	31%	0.309	S	S	.	.	H	α-helix	trans	-70.5	-41.2	173.1	-174.9	-179.1	-59.4	126.2	6.8	111.9	T555 H556 I560 E561 E562	T555-R558 PolarHBondContact O-N 3.41Å; H556-R558 VanDerWaalsContact C-N 3.28Å; H556-R558 PolarHBondContact O-N 2.92Å; R558-I560 VanDerWaalsContact C-N 3.33Å; R558-I560 PolarHBondContact O-N 3.03Å; R558-E561 PolarHBondContact O-N 2.93Å; R558-E562 WeakPolarHBondContact CD-OE1 3.27Å; R558-E562 HydrophobicContact CG-CG 4.03Å; R558-E562 VanDerWaalsContact CG-OE1 3.3Å; R558-E562 WeakPolarHBondContact CG-OE1 3.5Å; R558-E562 WeakPolarHBondContact O-CB 3.41Å; R558-E562 WeakPolarHBondContact O-CG 3.46Å; R558-E562 PolarHBondContact O-N 3.27Å
559	V	86.3	Confident	85.4	Confident	20 Å²	20	58.8 Å²	58.8	12%	0.121	29%	0.292	C	S	.	.	H	α-helix	trans	-59.9	-45	177.2	171.7	0	0	0	0	110.5	T555 H556 E561 E562 R563 I726 E732	T555-V559 WeakPolarHBondContact O-CG2 3.3Å; T555-V559 PolarHBondContact O-N 2.93Å; H556-V559 PolarHBondContact O-N 3.35Å; H556-V559 VanDerWaalsContact O-N 3.09Å; V559-E561 VanDerWaalsContact C-N 3.34Å; V559-E561 PolarHBondContact O-N 3.19Å; V559-E562 PolarHBondContact O-N 3.27Å; V559-R563 WeakPolarHBondContact O-CB 3.31Å; V559-R563 PolarHBondContact O-N 3.41Å; V559-I726 HydrophobicContact CG2-CD1 3.6Å; V559-E732 WeakPolarHBondContact CG1-OE1 3.31Å
560	I	85.1	Confident	85.9	Confident	4 Å²	4	58 Å²	58	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-56.1	-46.9	174.1	-65.9	158	0	0	0	111.2	E524 D527 R528 H556 R558 R563 M564	E524-I560 HydrophobicContact CB-CG2 4.27Å; D527-I560 HydrophobicContact CB-CD1 4.44Å; R528-I560 HydrophobicContact CB-CD1 4.3Å; R528-I560 HydrophobicContact CB-CG2 4.3Å; H556-I560 WeakPolarHBondContact O-CG1 3.38Å; H556-I560 PolarHBondContact O-N 2.86Å; R558-I560 VanDerWaalsContact C-N 3.33Å; R558-I560 PolarHBondContact O-N 3.03Å; I560-R563 PolarHBondContact O-N 2.98Å; I560-M564 VanDerWaalsContact O-CB 3.31Å; I560-M564 WeakPolarHBondContact O-CB 3.21Å; I560-M564 PolarHBondContact O-N 3.38Å
561	E	85.1	Confident	86.2	Confident	117 Å²	117	52.2 Å²	52.2	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-66.4	-45.5	179.5	-175.3	177.4	-169.3	0	0	112.6	L557 R558 V559 R563 N565	L557-E561 PolarHBondContact O-N 2.95Å; R558-E561 PolarHBondContact O-N 2.93Å; V559-E561 VanDerWaalsContact C-N 3.34Å; V559-E561 PolarHBondContact O-N 3.19Å; E561-R563 VanDerWaalsContact C-N 3.34Å; E561-R563 PolarHBondContact O-N 3.47Å; E561-N565 WeakPolarHBondContact O-CB 3.22Å; E561-N565 PolarHBondContact O-N 2.76Å; E561-N565 PolarHBondContact O-ND2 3.5Å
562	E	86.1	Confident	86.3	Confident	74 Å²	74	56.7 Å²	56.7	35%	0.346	28%	0.275	S	S	.	.	H	α-helix	trans	-63.6	-38.9	176.5	-74.2	174.2	178	0	0	111.6	R558 V559 Q566	R558-E562 WeakPolarHBondContact CD-OE1 3.27Å; R558-E562 HydrophobicContact CG-CG 4.03Å; R558-E562 VanDerWaalsContact CG-OE1 3.3Å; R558-E562 WeakPolarHBondContact CG-OE1 3.5Å; R558-E562 WeakPolarHBondContact O-CB 3.41Å; R558-E562 WeakPolarHBondContact O-CG 3.46Å; R558-E562 PolarHBondContact O-N 3.27Å; V559-E562 PolarHBondContact O-N 3.27Å; E562-Q566 WeakPolarHBondContact O-CB 3.42Å; E562-Q566 VanDerWaalsContact O-CG 3.22Å; E562-Q566 WeakPolarHBondContact O-CG 3.25Å; E562-Q566 PolarHBondContact O-N 3.03Å; E562-Q566 PolarHBondContact O-NE2 3.42Å; E562-Q566 VanDerWaalsContact O-NE2 3.11Å
563	R	86.8	Confident	86.6	Confident	22 Å²	22	57.6 Å²	57.6	8%	0.083	28%	0.277	C	S	.	.	H	α-helix	trans	-68.7	-46.9	178.5	-178.5	171.6	69.4	-155	8.6	112.2	R492 E524 D527 V559 I560 E561 N565 Q566 S567 E732	R492-R563 VanDerWaalsContact CD-CZ 3.4Å; R492-R563 VanDerWaalsContact CD-NE 3.29Å; R492-R563 VanDerWaalsContact CZ-CZ 3.44Å; E524-R563 WeakPolarHBondContact OE1-CD 3.4Å; E524-R563 WeakPolarHBondContact OE1-CG 3.43Å; E524-R563 IonicContact OE1-CZ 3.46Å; E524-R563 IonicContact OE1-NE 3.87Å; E524-R563 PolarHBondContact OE1-NE 3.1Å; E524-R563 IonicContact OE1-NH2 2.79Å; E524-R563 IonicContact OE2-CZ 3.82Å; E524-R563 IonicContact OE2-NE 3.14Å; E524-R563 PolarHBondContact OE2-NE 2.86Å; E524-R563 IonicContact OE2-NH2 2.69Å; E524-R563 PolarHBondContact OE2-NH2 3.02Å; D527-R563 IonicContact OD2-CZ 2.8Å; D527-R563 IonicContact OD2-NH2 3.25Å; D527-R563 PolarHBondContact OD2-NH2 3.03Å; V559-R563 WeakPolarHBondContact O-CB 3.31Å; V559-R563 PolarHBondContact O-N 3.41Å; I560-R563 PolarHBondContact O-N 2.98Å; E561-R563 VanDerWaalsContact C-N 3.34Å; E561-R563 PolarHBondContact O-N 3.47Å; R563-N565 PolarHBondContact O-N 3.19Å; R563-Q566 PolarHBondContact O-N 2.97Å; R563-S567 PolarHBondContact O-N 3Å; R563-S567 PolarHBondContact O-OG 2.83Å; R563-E732 VanDerWaalsContact CD-OE1 3.3Å; R563-E732 WeakPolarHBondContact CD-OE1 3.46Å; R563-E732 WeakPolarHBondContact CD-OE2 3.34Å; R563-E732 IonicContact CZ-OE1 2.69Å; R563-E732 IonicContact CZ-OE2 2.68Å; R563-E732 IonicContact NE-OE1 3.95Å; R563-E732 IonicContact NE-OE2 2.72Å; R563-E732 VanDerWaalsContact NH1-CD 3.3Å; R563-E732 IonicContact NH1-OE1 3.24Å; R563-E732 PolarHBondContact NH1-OE1 2.94Å; R563-E732 IonicContact NH1-OE2 3.38Å; R563-E732 PolarHBondContact NH1-OE2 3.32Å
564	M	87.6	Confident	87.1	Confident	30 Å²	30	58.6 Å²	58.6	15%	0.148	28%	0.283	C	S	.	.	H	α-helix	trans	-61.5	-42.3	174.7	-175.9	177.4	66.4	0	0	111.8	V521 E524 I560 S567 L568 Q592	V521-M564 HydrophobicContact CG1-SD 4.1Å; V521-M564 HydrophobicContact CG2-CG 4.46Å; V521-M564 HydrophobicContact CG2-SD 4.48Å; E524-M564 HydrophobicContact CG-CB 4.48Å; I560-M564 VanDerWaalsContact O-CB 3.31Å; I560-M564 WeakPolarHBondContact O-CB 3.21Å; I560-M564 PolarHBondContact O-N 3.38Å; M564-S567 WeakPolarHBondContact CA-OG 3.35Å; M564-S567 PolarHBondContact O-N 3.42Å; M564-S567 PolarHBondContact O-OG 3.18Å; M564-L568 HydrophobicContact CG-CD1 4.18Å; M564-L568 WeakPolarHBondContact O-CG 3.26Å; M564-L568 PolarHBondContact O-N 3.18Å; M564-Q592 HydrophobicContact CE-CG 4.36Å; M564-Q592 HydrophobicContact SD-CG 4.32Å
565	N	88.1	Confident	87.4	Confident	79 Å²	79	58.2 Å²	58.2	42%	0.422	29%	0.286	S	S	.	.	H	α-helix	trans	-67.2	-36.3	175.9	-75.3	-46.5	0	0	0	112.4	E561 R563 G569	E561-N565 WeakPolarHBondContact O-CB 3.22Å; E561-N565 PolarHBondContact O-N 2.76Å; E561-N565 PolarHBondContact O-ND2 3.5Å; R563-N565 PolarHBondContact O-N 3.19Å; N565-G569 PolarHBondContact O-N 2.97Å
566	Q	89.8	Confident	87.6	Confident	66 Å²	66	57 Å²	57	31%	0.308	29%	0.287	S	S	.	.	H	α-helix	trans	-64	-42.3	173.4	-79.6	170.7	72.7	0	0	112.7	E562 R563 G569 L570	E562-Q566 WeakPolarHBondContact O-CB 3.42Å; E562-Q566 VanDerWaalsContact O-CG 3.22Å; E562-Q566 WeakPolarHBondContact O-CG 3.25Å; E562-Q566 PolarHBondContact O-N 3.03Å; E562-Q566 PolarHBondContact O-NE2 3.42Å; E562-Q566 VanDerWaalsContact O-NE2 3.11Å; R563-Q566 PolarHBondContact O-N 2.97Å; Q566-G569 PolarHBondContact O-N 3.06Å; Q566-L570 PolarHBondContact O-N 3.32Å
567	S	89.3	Confident	88	Confident	4 Å²	4	54.8 Å²	54.8	3%	0.028	28%	0.277	C	S	.	.	H	α-helix	trans	-69.2	-35.1	177.6	53.3	0	0	0	0	113.4	Y499 Y520 R563 M564 G569 L570	Y499-S567 WeakPolarHBondContact CE1-O 3.34Å; Y499-S567 PolarHBondContact OH-O 3.42Å; Y520-S567 WeakPolarHBondContact CE1-OG 3.25Å; Y520-S567 PolarHBondContact OH-OG 2.98Å; R563-S567 PolarHBondContact O-N 3Å; R563-S567 PolarHBondContact O-OG 2.83Å; M564-S567 WeakPolarHBondContact CA-OG 3.35Å; M564-S567 PolarHBondContact O-N 3.42Å; M564-S567 PolarHBondContact O-OG 3.18Å; S567-G569 VanDerWaalsContact C-N 3.34Å; S567-L570 WeakPolarHBondContact O-CB 3.34Å; S567-L570 PolarHBondContact O-N 2.72Å
568	L	89.2	Confident	88.3	Confident	16 Å²	16	53.7 Å²	53.7	8%	0.084	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-40	171.4	-73.8	165.1	0	0	0	110.7	L517 M564 L570 L571 V585 Q589	L517-L568 HydrophobicContact CD1-CD2 3.9Å; L517-L568 HydrophobicContact CD2-CD2 3.9Å; L517-L568 HydrophobicContact CG-CD2 4.33Å; M564-L568 HydrophobicContact CG-CD1 4.18Å; M564-L568 WeakPolarHBondContact O-CG 3.26Å; M564-L568 PolarHBondContact O-N 3.18Å; L568-L570 PolarHBondContact O-N 2.86Å; L568-L571 WeakPolarHBondContact O-CB 3.43Å; L568-L571 WeakPolarHBondContact O-CG 3.41Å; L568-L571 PolarHBondContact O-N 3.35Å; L568-V585 HydrophobicContact CD2-CG1 3.9Å; L568-Q589 HydrophobicContact CD1-CG 4.36Å
569	G	88.6	Confident	88.6	Confident	32 Å²	32	53 Å²	53	33%	0.33	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-9.2	174.4	0	0	0	0	0	115.4	N565 Q566 S567	N565-G569 PolarHBondContact O-N 2.97Å; Q566-G569 PolarHBondContact O-N 3.06Å; S567-G569 VanDerWaalsContact C-N 3.34Å
570	L	90.1	Very high	88.9	Confident	13 Å²	13	57.2 Å²	57.2	7%	0.068	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-25.2	172.4	-59.7	176.8	0	0	0	113	Y499 L500 L503 Q566 S567 L568 Y572 K573 V730	Y499-L570 HydrophobicContact CE1-CD1 4.3Å; L500-L570 HydrophobicContact CD2-CD1 3.55Å; L503-L570 HydrophobicContact CD1-CB 4.21Å; Q566-L570 PolarHBondContact O-N 3.32Å; S567-L570 WeakPolarHBondContact O-CB 3.34Å; S567-L570 PolarHBondContact O-N 2.72Å; L568-L570 PolarHBondContact O-N 2.86Å; L570-Y572 PolarHBondContact O-N 2.96Å; L570-K573 HydrophobicContact CD2-CD 4.16Å; L570-K573 VanDerWaalsContact O-CB 3.31Å; L570-K573 WeakPolarHBondContact O-CB 3.48Å; L570-K573 PolarHBondContact O-N 3.41Å; L570-V730 HydrophobicContact CD1-CG1 4.12Å
571	L	89.7	Confident	89.2	Confident	7 Å²	7	57.1 Å²	57.1	4%	0.037	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-58.2	-38.1	178	-64.2	179.2	0	0	0	111.8	Y499 L503 V513 L517 L568 K573 V574 A578 I581 V585	Y499-L571 HydrophobicContact CE2-CD2 4.09Å; Y499-L571 WeakPolarHBondContact OH-CD2 3.32Å; L503-L571 HydrophobicContact CD2-CD2 4.16Å; V513-L571 HydrophobicContact CG1-CD2 4.15Å; L517-L571 HydrophobicContact CD2-CD1 4.02Å; L568-L571 WeakPolarHBondContact O-CB 3.43Å; L568-L571 WeakPolarHBondContact O-CG 3.41Å; L568-L571 PolarHBondContact O-N 3.35Å; L571-K573 PolarHBondContact O-N 2.93Å; L571-V574 CarbonylContact O-C 3.51Å; L571-V574 PolarHBondContact O-N 3.01Å; L571-A578 HydrophobicContact CB-CB 4.05Å; L571-I581 HydrophobicContact CD1-CD1 4.08Å; L571-I581 HydrophobicContact CD2-CD1 3.94Å; L571-V585 HydrophobicContact CD1-CG1 4.41Å; L571-V585 HydrophobicContact CD1-CG2 3.98Å
572	Y	87.8	Confident	89.5	Confident	174 Å²	174	54.9 Å²	54.9	68%	0.682	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-61.3	-8.9	176.7	-60.1	-61.5	0	0	0	114.8	L570	L570-Y572 PolarHBondContact O-N 2.96Å
573	K	88	Confident	89.8	Confident	153 Å²	153	57.9 Å²	57.9	67%	0.665	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-83.6	-16.2	171.9	-59.4	176.8	179.8	174.7	0	112.9	L570 L571	L570-K573 HydrophobicContact CD2-CD 4.16Å; L570-K573 VanDerWaalsContact O-CB 3.31Å; L570-K573 WeakPolarHBondContact O-CB 3.48Å; L570-K573 PolarHBondContact O-N 3.41Å; L571-K573 PolarHBondContact O-N 2.93Å
574	V	91.3	Very high	90.1	Very high	38 Å²	38	60.6 Å²	60.6	23%	0.23	32%	0.322	C	S	.	.	S	Bend	trans	-129.7	68.5	-178.4	-167.6	0	0	0	0	108.5	L503 P508 L571 G576 V577 A578	L503-V574 HydrophobicContact CD2-CG2 4.23Å; P508-V574 HydrophobicContact CG-CG1 4.02Å; L571-V574 CarbonylContact O-C 3.51Å; L571-V574 PolarHBondContact O-N 3.01Å; V574-G576 PolarHBondContact O-N 3.23Å; V574-V577 HydrophobicContact CB-CB 4.38Å; V574-V577 HydrophobicContact CG1-CB 3.89Å; V574-V577 HydrophobicContact CG1-CG2 3.66Å; V574-V577 PolarHBondContact O-N 2.69Å; V574-A578 PolarHBondContact O-N 3.44Å; V574-A578 VanDerWaalsContact O-N 3.15Å
575	P	89.5	Confident	90.2	Very high	83 Å²	83	59.4 Å²	59.4	54%	0.539	32%	0.317	S	S	.	.	H	α-helix	trans	-56.7	-41.8	-163.4	18.7	-32.1	0	0	0	114.4	V577 A578 D579	P575-V577 VanDerWaalsContact C-N 3.26Å; P575-V577 PolarHBondContact O-N 3.33Å; P575-A578 WeakPolarHBondContact O-CA 3.42Å; P575-A578 WeakPolarHBondContact O-CB 3.45Å; P575-A578 PolarHBondContact O-N 3.29Å; P575-D579 VanDerWaalsContact O-CG 3.31Å; P575-D579 PolarHBondContact O-N 2.91Å
576	G	89.5	Confident	90.3	Very high	44 Å²	44	59.6 Å²	59.6	45%	0.454	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-30.9	178.1	0	0	0	0	0	114.1	V574 D580	V574-G576 PolarHBondContact O-N 3.23Å; G576-D580 PolarHBondContact O-N 3.23Å
577	V	89.9	Confident	90.3	Very high	8 Å²	8	61.1 Å²	61.1	5%	0.048	33%	0.325	C	S	.	.	H	α-helix	trans	-76.5	-33.7	172.7	172.6	0	0	0	0	111.2	P508 P510 V513 V574 P575 I581	P508-V577 HydrophobicContact CB-CG2 3.93Å; P508-V577 HydrophobicContact CG-CG2 3.61Å; P510-V577 HydrophobicContact CB-CG1 4.48Å; P510-V577 HydrophobicContact CG-CG2 4.43Å; V513-V577 HydrophobicContact CB-CG1 4.15Å; V513-V577 HydrophobicContact CG1-CG1 4Å; V513-V577 HydrophobicContact CG2-CG1 4.25Å; V574-V577 HydrophobicContact CB-CB 4.38Å; V574-V577 HydrophobicContact CG1-CB 3.89Å; V574-V577 HydrophobicContact CG1-CG2 3.66Å; V574-V577 PolarHBondContact O-N 2.69Å; P575-V577 VanDerWaalsContact C-N 3.26Å; P575-V577 PolarHBondContact O-N 3.33Å; V577-I581 HydrophobicContact CG1-CD1 4.41Å; V577-I581 WeakPolarHBondContact O-CG1 3.29Å; V577-I581 PolarHBondContact O-N 2.68Å
578	A	90.7	Very high	90.2	Very high	5 Å²	5	61.2 Å²	61.2	4%	0.041	33%	0.325	C	S	.	.	H	α-helix	trans	-65.5	-47.9	176.1	0	0	0	0	0	111.1	L571 V574 P575 D580 I581 Q582	L571-A578 HydrophobicContact CB-CB 4.05Å; V574-A578 PolarHBondContact O-N 3.44Å; V574-A578 VanDerWaalsContact O-N 3.15Å; P575-A578 WeakPolarHBondContact O-CA 3.42Å; P575-A578 WeakPolarHBondContact O-CB 3.45Å; P575-A578 PolarHBondContact O-N 3.29Å; A578-D580 VanDerWaalsContact C-N 3.34Å; A578-D580 PolarHBondContact O-N 2.99Å; A578-I581 CarbonylContact O-C 3.52Å; A578-I581 PolarHBondContact O-N 3.43Å; A578-I581 VanDerWaalsContact O-N 3.15Å; A578-Q582 WeakPolarHBondContact O-CA 3.47Å; A578-Q582 WeakPolarHBondContact O-CB 3.42Å; A578-Q582 PolarHBondContact O-N 3.06Å
579	D	92.3	Very high	90.1	Very high	123 Å²	123	64.2 Å²	64.2	66%	0.658	34%	0.339	S	S	*	.	H	α-helix	trans	-57.9	-45	177.9	-63	-30.1	0	0	0	111	P575 I581	P575-D579 VanDerWaalsContact O-CG 3.31Å; P575-D579 PolarHBondContact O-N 2.91Å; D579-I581 PolarHBondContact O-N 3.4Å
580	D	91.7	Very high	90	Very high	109 Å²	109	69.2 Å²	69.2	58%	0.583	35%	0.348	S	S	*	.	H	α-helix	trans	-64.1	-18.1	178.2	-82.3	-11.1	0	0	0	115.1	P510 G576 A578	P510-D580 HydrophobicContact CB-CB 3.79Å; P510-D580 HydrophobicContact CG-CB 3.91Å; P510-D580 WeakPolarHBondContact CG-OD2 3.4Å; G576-D580 PolarHBondContact O-N 3.23Å; A578-D580 VanDerWaalsContact C-N 3.34Å; A578-D580 PolarHBondContact O-N 2.99Å
581	I	92.6	Very high	89.7	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-123.7	1.9	-176.8	76.5	-176.9	0	0	0	114.1	P510 V513 F514 L571 V577 A578 D579 D583 Q584 V585	P510-I581 HydrophobicContact CB-CG2 3.77Å; V513-I581 HydrophobicContact CG1-CD1 4.33Å; F514-I581 HydrophobicContact CB-CB 4.42Å; F514-I581 HydrophobicContact CB-CD1 4.33Å; F514-I581 HydrophobicContact CB-CG2 4.18Å; L571-I581 HydrophobicContact CD1-CD1 4.08Å; L571-I581 HydrophobicContact CD2-CD1 3.94Å; V577-I581 HydrophobicContact CG1-CD1 4.41Å; V577-I581 WeakPolarHBondContact O-CG1 3.29Å; V577-I581 PolarHBondContact O-N 2.68Å; A578-I581 CarbonylContact O-C 3.52Å; A578-I581 PolarHBondContact O-N 3.43Å; A578-I581 VanDerWaalsContact O-N 3.15Å; D579-I581 PolarHBondContact O-N 3.4Å; I581-D583 PolarHBondContact O-N 3.21Å; I581-Q584 WeakPolarHBondContact O-CB 3.47Å; I581-Q584 PolarHBondContact O-N 3.39Å; I581-V585 HydrophobicContact CB-CG2 4.49Å; I581-V585 HydrophobicContact CD1-CG2 4.02Å; I581-V585 HydrophobicContact CG1-CG2 3.82Å; I581-V585 WeakPolarHBondContact O-CG2 3.31Å; I581-V585 PolarHBondContact O-N 3.37Å
582	Q	91.4	Very high	89.2	Confident	71 Å²	71	73.1 Å²	73.1	33%	0.332	37%	0.365	S	S	.	.	H	α-helix	trans	-54.3	-48.6	-170.1	-177.3	59.4	35.2	0	0	112.5	A578 Q584 V585 E586	A578-Q582 WeakPolarHBondContact O-CA 3.47Å; A578-Q582 WeakPolarHBondContact O-CB 3.42Å; A578-Q582 PolarHBondContact O-N 3.06Å; Q582-Q584 VanDerWaalsContact C-N 3.32Å; Q582-Q584 PolarHBondContact O-N 2.94Å; Q582-V585 PolarHBondContact O-N 3.46Å; Q582-E586 PolarHBondContact O-N 2.96Å
583	D	91.7	Very high	88.8	Confident	136 Å²	136	67.4 Å²	67.4	73%	0.727	35%	0.354	S	S	*	.	H	α-helix	trans	-62.8	-38.1	179.4	-59.3	-28.4	0	0	0	112.5	I581 E586 L587	I581-D583 PolarHBondContact O-N 3.21Å; D583-E586 PolarHBondContact O-N 3.01Å; D583-L587 WeakPolarHBondContact O-CB 3.39Å; D583-L587 PolarHBondContact O-N 3.45Å
584	Q	92.4	Very high	88.3	Confident	79 Å²	79	65.9 Å²	65.9	37%	0.369	35%	0.349	S	S	.	.	H	α-helix	trans	-71.2	-34.2	179.6	-61.7	172.9	72.7	0	0	111.3	F514 I581 Q582 L588	F514-Q584 HydrophobicContact CD1-CB 4.37Å; F514-Q584 HydrophobicContact CD2-CB 3.99Å; F514-Q584 HydrophobicContact CE1-CB 4.04Å; F514-Q584 HydrophobicContact CE2-CB 3.63Å; F514-Q584 WeakPolarHBondContact CE2-O 3.4Å; F514-Q584 HydrophobicContact CG-CB 4.36Å; F514-Q584 HydrophobicContact CZ-CB 3.66Å; I581-Q584 WeakPolarHBondContact O-CB 3.47Å; I581-Q584 PolarHBondContact O-N 3.39Å; Q582-Q584 VanDerWaalsContact C-N 3.32Å; Q582-Q584 PolarHBondContact O-N 2.94Å; Q584-L588 WeakPolarHBondContact O-CB 3.37Å; Q584-L588 PolarHBondContact O-N 2.92Å; Q584-L588 VanDerWaalsContact O-N 3.11Å
585	V	90.1	Very high	87.2	Confident	6 Å²	6	68 Å²	68	4%	0.036	36%	0.357	C	S	.	.	H	α-helix	trans	-72.6	-40.9	174.3	173.1	0	0	0	0	111	F514 L517 L568 L571 I581 Q582 L588 Q589	F514-V585 HydrophobicContact CD2-CG2 3.97Å; F514-V585 HydrophobicContact CE2-CG2 4.11Å; L517-V585 HydrophobicContact CD2-CG2 3.88Å; L568-V585 HydrophobicContact CD2-CG1 3.9Å; L571-V585 HydrophobicContact CD1-CG1 4.41Å; L571-V585 HydrophobicContact CD1-CG2 3.98Å; I581-V585 HydrophobicContact CB-CG2 4.49Å; I581-V585 HydrophobicContact CD1-CG2 4.02Å; I581-V585 HydrophobicContact CG1-CG2 3.82Å; I581-V585 WeakPolarHBondContact O-CG2 3.31Å; I581-V585 PolarHBondContact O-N 3.37Å; Q582-V585 PolarHBondContact O-N 3.46Å; V585-L588 PolarHBondContact O-N 3.21Å; V585-Q589 HydrophobicContact CG1-CG 4.5Å; V585-Q589 WeakPolarHBondContact O-CG 3.42Å; V585-Q589 PolarHBondContact O-N 3.14Å
586	E	90.3	Very high	86.2	Confident	82 Å²	82	65.5 Å²	65.5	38%	0.383	34%	0.344	S	S	.	.	H	α-helix	trans	-65.2	-41.7	176	-165.8	-177.7	173.4	0	0	111.5	Q582 D583 L588 Q589 R590	Q582-E586 PolarHBondContact O-N 2.96Å; D583-E586 PolarHBondContact O-N 3.01Å; E586-L588 PolarHBondContact O-N 2.89Å; E586-Q589 PolarHBondContact O-N 3.06Å; E586-R590 WeakPolarHBondContact O-CG 3.46Å; E586-R590 PolarHBondContact O-N 3.29Å; E586-R590 IonicContact OE1-CZ 3.99Å; E586-R590 IonicContact OE1-NE 2.85Å; E586-R590 PolarHBondContact OE1-NE 2.91Å; E586-R590 IonicContact OE1-NH2 3.73Å; E586-R590 PolarHBondContact OE1-NH2 2.84Å; E586-R590 IonicContact OE2-NH2 3.38Å; E586-R590 PolarHBondContact OE2-NH2 3.24Å
587	L	90.9	Very high	85.3	Confident	99 Å²	99	69.4 Å²	69.4	52%	0.518	35%	0.35	S	S	.	.	H	α-helix	trans	-56.4	-49.8	172.1	-169.8	87.8	0	0	0	111.1	D583 Q589 R590 E591	D583-L587 WeakPolarHBondContact O-CB 3.39Å; D583-L587 PolarHBondContact O-N 3.45Å; L587-Q589 VanDerWaalsContact C-N 3.26Å; L587-Q589 PolarHBondContact O-N 2.96Å; L587-R590 PolarHBondContact O-N 3.37Å; L587-R590 VanDerWaalsContact O-N 3.1Å; L587-E591 PolarHBondContact O-N 3.14Å
588	L	87.6	Confident	83.9	Confident	6 Å²	6	74.8 Å²	74.8	3%	0.031	38%	0.375	C	S	.	.	H	α-helix	trans	-59.6	-36.3	178.1	-177	67	0	0	0	112.1	F514 K518 V521 Q584 V585 E586 E591 Q592	F514-L588 HydrophobicContact CE2-CB 4.5Å; F514-L588 HydrophobicContact CE2-CD2 4.19Å; K518-L588 HydrophobicContact CB-CD2 4.38Å; K518-L588 HydrophobicContact CD-CD1 4.16Å; K518-L588 HydrophobicContact CG-CD1 4.06Å; K518-L588 HydrophobicContact CG-CD2 4.48Å; V521-L588 HydrophobicContact CB-CD2 4.31Å; V521-L588 HydrophobicContact CG1-CD2 4.37Å; V521-L588 HydrophobicContact CG1-CG 4.41Å; V521-L588 HydrophobicContact CG2-CD2 4.18Å; Q584-L588 WeakPolarHBondContact O-CB 3.37Å; Q584-L588 PolarHBondContact O-N 2.92Å; Q584-L588 VanDerWaalsContact O-N 3.11Å; V585-L588 PolarHBondContact O-N 3.21Å; E586-L588 PolarHBondContact O-N 2.89Å; L588-E591 WeakPolarHBondContact O-CB 3.48Å; L588-Q592 VanDerWaalsContact O-CG 3.25Å; L588-Q592 WeakPolarHBondContact O-CG 3.4Å; L588-Q592 PolarHBondContact O-N 3.24Å; L588-Q592 PolarHBondContact O-NE2 2.88Å
589	Q	86.1	Confident	82.4	Confident	79 Å²	79	76.6 Å²	76.6	37%	0.369	38%	0.384	S	S	.	.	H	α-helix	trans	-70.5	-33.7	175.4	-74.8	179.4	-57.7	0	0	113	L568 V585 E586 L587 Q592 A593	L568-Q589 HydrophobicContact CD1-CG 4.36Å; V585-Q589 HydrophobicContact CG1-CG 4.5Å; V585-Q589 WeakPolarHBondContact O-CG 3.42Å; V585-Q589 PolarHBondContact O-N 3.14Å; E586-Q589 PolarHBondContact O-N 3.06Å; L587-Q589 VanDerWaalsContact C-N 3.26Å; L587-Q589 PolarHBondContact O-N 2.96Å; Q589-Q592 WeakPolarHBondContact O-CB 3.38Å; Q589-Q592 PolarHBondContact O-N 3.41Å; Q589-A593 PolarHBondContact O-N 3.01Å
590	R	86.7	Confident	80.8	Confident	137 Å²	137	72.8 Å²	72.8	52%	0.517	37%	0.369	S	S	.	.	H	α-helix	trans	-67.8	-44.7	172.2	-66.4	172.9	-169.9	171.9	3.4	111	E586 L587 Q592 A593 E594	E586-R590 WeakPolarHBondContact O-CG 3.46Å; E586-R590 PolarHBondContact O-N 3.29Å; E586-R590 IonicContact OE1-CZ 3.99Å; E586-R590 IonicContact OE1-NE 2.85Å; E586-R590 PolarHBondContact OE1-NE 2.91Å; E586-R590 IonicContact OE1-NH2 3.73Å; E586-R590 PolarHBondContact OE1-NH2 2.84Å; E586-R590 IonicContact OE2-NH2 3.38Å; E586-R590 PolarHBondContact OE2-NH2 3.24Å; L587-R590 PolarHBondContact O-N 3.37Å; L587-R590 VanDerWaalsContact O-N 3.1Å; R590-Q592 PolarHBondContact O-N 3.34Å; R590-A593 PolarHBondContact O-N 3.37Å; R590-E594 PolarHBondContact O-N 3.05Å
591	E	83.3	Confident	79.1	Confident	77 Å²	77	72 Å²	72	36%	0.36	37%	0.365	S	S	.	.	H	α-helix	trans	-53.9	-39	169.3	-66.9	174.8	-174.7	0	0	111.5	K518 L587 L588 M595	K518-E591 IonicContact NZ-OE1 3.9Å; K518-E591 IonicContact NZ-OE2 3.41Å; L587-E591 PolarHBondContact O-N 3.14Å; L588-E591 WeakPolarHBondContact O-CB 3.48Å; E591-M595 WeakPolarHBondContact O-CB 3.49Å; E591-M595 VanDerWaalsContact O-CG 3.29Å; E591-M595 WeakPolarHBondContact O-CG 3.26Å; E591-M595 PolarHBondContact O-N 3.2Å
592	Q	79.1	Confident	77.1	Confident	25 Å²	25	76.8 Å²	76.8	12%	0.117	39%	0.39	C	S	.	.	H	α-helix	trans	-64	-45.9	174.5	-62.2	-36.1	-71.2	0	0	112.3	V521 M564 L588 Q589 R590 A596	V521-Q592 HydrophobicContact CG1-CG 4.08Å; M564-Q592 HydrophobicContact CE-CG 4.36Å; M564-Q592 HydrophobicContact SD-CG 4.32Å; L588-Q592 VanDerWaalsContact O-CG 3.25Å; L588-Q592 WeakPolarHBondContact O-CG 3.4Å; L588-Q592 PolarHBondContact O-N 3.24Å; L588-Q592 PolarHBondContact O-NE2 2.88Å; Q589-Q592 WeakPolarHBondContact O-CB 3.38Å; Q589-Q592 PolarHBondContact O-N 3.41Å; R590-Q592 PolarHBondContact O-N 3.34Å; Q592-A596 WeakPolarHBondContact O-CB 3.4Å; Q592-A596 PolarHBondContact O-N 3.49Å
593	A	79	Confident	75.4	Confident	53 Å²	53	77.4 Å²	77.4	44%	0.438	39%	0.393	S	S	.	.	H	α-helix	trans	-66.8	-41.2	-174.1	0	0	0	0	0	112.2	Q589 R590 A596 Q597	Q589-A593 PolarHBondContact O-N 3.01Å; R590-A593 PolarHBondContact O-N 3.37Å; A593-A596 WeakPolarHBondContact O-CA 3.39Å; A593-A596 WeakPolarHBondContact O-CB 3.47Å; A593-A596 PolarHBondContact O-N 3.08Å; A593-A596 VanDerWaalsContact O-N 3.14Å; A593-Q597 WeakPolarHBondContact O-CB 3.3Å; A593-Q597 PolarHBondContact O-N 2.98Å
594	E	77.7	Confident	73.5	Confident	122 Å²	122	75.4 Å²	75.4	57%	0.57	39%	0.386	S	S	*	.	H	α-helix	trans	-65.4	-49.6	177.8	-69.2	170.5	-167.5	0	0	111.3	R590 A596 Q597 Q598	R590-E594 PolarHBondContact O-N 3.05Å; E594-A596 PolarHBondContact O-N 3.02Å; E594-Q597 PolarHBondContact O-N 3.1Å; E594-Q597 VanDerWaalsContact O-N 3.14Å; E594-Q598 WeakPolarHBondContact O-CG 3.46Å; E594-Q598 PolarHBondContact O-N 3.26Å
595	M	69.2	Low	71.1	Confident	82 Å²	82	79 Å²	79	40%	0.404	41%	0.407	S	S	.	.	H	α-helix	trans	-61.2	-24.6	171.6	-69.6	-66	-66.5	0	0	112.6	R528 E591	R528-M595 PolarHBondContact NH1-O 3.43Å; E591-M595 WeakPolarHBondContact O-CB 3.49Å; E591-M595 VanDerWaalsContact O-CG 3.29Å; E591-M595 WeakPolarHBondContact O-CG 3.26Å; E591-M595 PolarHBondContact O-N 3.2Å
596	A	68.8	Low	68.9	Low	31 Å²	31	81.7 Å²	81.7	26%	0.256	43%	0.427	S	S	.	.	H	α-helix	trans	-75.9	-41.9	174.2	0	0	0	0	0	112.6	R528 Q592 A593 E594 A600	R528-A596 VanDerWaalsContact NH2-CA 3.29Å; R528-A596 PolarHBondContact NH2-O 2.86Å; Q592-A596 WeakPolarHBondContact O-CB 3.4Å; Q592-A596 PolarHBondContact O-N 3.49Å; A593-A596 WeakPolarHBondContact O-CA 3.39Å; A593-A596 WeakPolarHBondContact O-CB 3.47Å; A593-A596 PolarHBondContact O-N 3.08Å; A593-A596 VanDerWaalsContact O-N 3.14Å; E594-A596 PolarHBondContact O-N 3.02Å; A596-A600 PolarHBondContact O-N 3.3Å
597	Q	69.7	Low	66.3	Low	126 Å²	126	89.1 Å²	89.1	59%	0.589	45%	0.451	S	S	*	.	H	α-helix	trans	-76.3	-39.7	-176	-170.7	166.9	-15	0	0	112.6	A593 E594 L599 A600 N601	A593-Q597 WeakPolarHBondContact O-CB 3.3Å; A593-Q597 PolarHBondContact O-N 2.98Å; E594-Q597 PolarHBondContact O-N 3.1Å; E594-Q597 VanDerWaalsContact O-N 3.14Å; Q597-L599 VanDerWaalsContact C-N 3.31Å; Q597-L599 PolarHBondContact O-N 3.33Å; Q597-A600 WeakPolarHBondContact O-CB 3.45Å; Q597-A600 PolarHBondContact O-N 3.5Å; Q597-N601 VanDerWaalsContact O-CG 3.31Å; Q597-N601 PolarHBondContact O-N 3.37Å; Q597-N601 PolarHBondContact O-OD1 2.88Å
598	Q	60.9	Low	63.8	Low	121 Å²	121	89.5 Å²	89.5	57%	0.565	46%	0.457	S	S	*	.	H	α-helix	trans	-54.9	-46.1	172.9	-72.1	173.9	-2.8	0	0	111.8	E594 A600 N601	E594-Q598 WeakPolarHBondContact O-CG 3.46Å; E594-Q598 PolarHBondContact O-N 3.26Å; Q598-A600 VanDerWaalsContact C-N 3.32Å; Q598-A600 PolarHBondContact O-N 2.86Å; Q598-N601 PolarHBondContact O-N 2.86Å
599	L	58.3	Low	61.2	Low	43 Å²	43	94.6 Å²	94.6	23%	0.225	49%	0.493	C	S	.	.	H	α-helix	trans	-73.6	-18.9	177.7	-70.6	171.1	0	0	0	114	L532 Q597 L602	L532-L599 HydrophobicContact CD1-CB 4.13Å; L532-L599 HydrophobicContact CD1-CD1 3.91Å; Q597-L599 VanDerWaalsContact C-N 3.31Å; Q597-L599 PolarHBondContact O-N 3.33Å; L599-L602 HydrophobicContact CD2-CD1 4.4Å
600	A	60.5	Low	58.9	Low	43 Å²	43	101 Å²	101	36%	0.355	52%	0.516	S	S	.	.	H	α-helix	trans	-80.2	-36.7	174.8	0	0	0	0	0	112.1	A596 Q597 Q598 L602 Q603	A596-A600 PolarHBondContact O-N 3.3Å; Q597-A600 WeakPolarHBondContact O-CB 3.45Å; Q597-A600 PolarHBondContact O-N 3.5Å; Q598-A600 VanDerWaalsContact C-N 3.32Å; Q598-A600 PolarHBondContact O-N 2.86Å; A600-L602 VanDerWaalsContact C-N 3.27Å; A600-L602 PolarHBondContact O-N 3.24Å; A600-Q603 VanDerWaalsContact O-CB 3.31Å; A600-Q603 WeakPolarHBondContact O-CB 3.43Å; A600-Q603 PolarHBondContact O-N 3.11Å
601	N	55.3	Low	56.4	Low	92 Å²	92	97.2 Å²	97.2	49%	0.492	52%	0.519	S	S	.	.	H	α-helix	trans	-64.2	-31.1	179.6	-65.3	-12.1	0	0	0	112.3	Q597 Q598 Q603 T604	Q597-N601 VanDerWaalsContact O-CG 3.31Å; Q597-N601 PolarHBondContact O-N 3.37Å; Q597-N601 PolarHBondContact O-OD1 2.88Å; Q598-N601 PolarHBondContact O-N 2.86Å; N601-Q603 PolarHBondContact O-N 2.96Å; N601-Q603 VanDerWaalsContact O-N 3.07Å; N601-T604 PolarHBondContact O-N 2.92Å; N601-T604 PolarHBondContact O-OG1 3.35Å
602	L	50.3	Low	54.2	Low	102 Å²	102	101 Å²	101	53%	0.534	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-5.7	171.1	-69	169.3	0	0	0	114.5	R539 L599 A600	R539-L602 PolarHBondContact NH1-O 2.97Å; R539-L602 PolarHBondContact NH2-O 2.93Å; L599-L602 HydrophobicContact CD2-CD1 4.4Å; A600-L602 VanDerWaalsContact C-N 3.27Å; A600-L602 PolarHBondContact O-N 3.24Å
603	Q	55.7	Low	51.9	Low	84 Å²	84	108.1 Å²	108.1	39%	0.393	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.8	-17.4	177.3	-53.4	-170.6	-4.6	0	0	113.7	L532 A600 N601	L532-Q603 VanDerWaalsContact CD2-NE2 3.28Å; A600-Q603 VanDerWaalsContact O-CB 3.31Å; A600-Q603 WeakPolarHBondContact O-CB 3.43Å; A600-Q603 PolarHBondContact O-N 3.11Å; N601-Q603 PolarHBondContact O-N 2.96Å; N601-Q603 VanDerWaalsContact O-N 3.07Å
604	T	51.5	Low	49.6	Very low	95 Å²	95	110 Å²	110	58%	0.583	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-39.9	-177.2	39.7	0	0	0	0	113.2	N601 S606	N601-T604 PolarHBondContact O-N 2.92Å; N601-T604 PolarHBondContact O-OG1 3.35Å; T604-S606 PolarHBondContact O-N 3.36Å
605	D	41.2	Very low	47.5	Very low	153 Å²	153	112 Å²	112	82%	0.818	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	61	-179.2	-73.8	-47.1	0	0	0	113.3
606	S	44.2	Very low	45.5	Very low	63 Å²	63	116.1 Å²	116.1	44%	0.441	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-152	38.1	159.7	38.5	0	0	0	0	112	R539 T604 V608	R539-S606 PolarHBondContact NH1-OG 3.45Å; T604-S606 PolarHBondContact O-N 3.36Å; S606-V608 VanDerWaalsContact C-N 3.26Å; S606-V608 PolarHBondContact O-N 3.07Å
607	R	36.3	Very low	44	Very low	238 Å²	238	119.8 Å²	119.8	90%	0.898	65%	0.652	S	S	*	*			trans	-72.4	80.8	169.3	-165	-174.6	-163.4	103.9	-0.8	110.1	S609	R607-S609 PolarHBondContact O-N 3.22Å
608	V	38.3	Very low	42.1	Very low	107 Å²	107	120.9 Å²	120.9	65%	0.648	66%	0.662	S	S	*	*			trans	-53.3	104.8	179.3	-178.9	0	0	0	0	110.3	S606 Y610	S606-V608 VanDerWaalsContact C-N 3.26Å; S606-V608 PolarHBondContact O-N 3.07Å; V608-Y610 HydrophobicContact CG1-CD2 3.8Å; V608-Y610 HydrophobicContact CG1-CE2 3.63Å; V608-Y610 PolarHBondContact O-N 3.08Å
609	S	33.3	Very low	40.6	Very low	113 Å²	113	124.6 Å²	124.6	79%	0.79	68%	0.679	S	S	*	*			trans	-77.9	88.5	178.5	-169.8	0	0	0	0	109.5	R607 G611	R607-S609 PolarHBondContact O-N 3.22Å; S609-G611 PolarHBondContact O-N 3.26Å
610	Y	37.3	Very low	39.1	Very low	214 Å²	214	129.3 Å²	129.3	84%	0.839	70%	0.7	S	S	*	*			trans	-68.9	86.2	162.7	-84.9	-77.1	0	0	0	108.9	V608 N612	V608-Y610 HydrophobicContact CG1-CD2 3.8Å; V608-Y610 HydrophobicContact CG1-CE2 3.63Å; V608-Y610 PolarHBondContact O-N 3.08Å; Y610-N612 PolarHBondContact O-N 2.87Å
611	G	35.1	Very low	37.5	Very low	57 Å²	57	135.3 Å²	135.3	59%	0.588	72%	0.718	S	S	*	*			trans	-65.7	95.6	175.7	0	0	0	0	0	111.2	S609	S609-G611 PolarHBondContact O-N 3.26Å
612	N	35.4	Very low	36.1	Very low	157 Å²	157	136.6 Å²	136.6	84%	0.84	73%	0.725	S	S	*	*			trans	178.8	92.2	143.3	-89.5	-30.1	0	0	0	110.3	Y610	Y610-N612 PolarHBondContact O-N 2.87Å
613	D	32.1	Very low	35	Very low	175 Å²	175	138.9 Å²	138.9	94%	0.936	73%	0.733	S	S	*	*			trans	-161	96.9	137.6	-110.4	-20.6	0	0	0	109
614	A	30.9	Very low	33.5	Very low	93 Å²	93	141.1 Å²	141.1	77%	0.769	75%	0.753	S	S	*	*			trans	-98.4	117.1	171.6	0	0	0	0	0	108.9
615	L	32.7	Very low	32.3	Very low	163 Å²	163	143 Å²	143	85%	0.853	76%	0.759	S	S	*	*			trans	-176.5	145.1	146.3	-103.8	164.6	0	0	0	112.8
616	M	28	Very low	32.1	Very low	168 Å²	168	141.4 Å²	141.4	83%	0.828	76%	0.757	S	S	*	*			trans	75.8	146.6	175.8	-63.7	-59.6	-173.8	0	0	117
617	P	37.8	Very low	31.2	Very low	108 Å²	108	145.7 Å²	145.7	70%	0.701	77%	0.774	S	S	*	*			trans	-127.7	-172.5	-135.2	42.2	-26.2	0	0	0	114.7
618	D	28.6	Very low	31.3	Very low	149 Å²	149	139.4 Å²	139.4	80%	0.797	76%	0.764	S	S	*	*			trans	-61.9	157.7	-168.8	-44	-88.5	0	0	0	115.6
619	Q	28.9	Very low	30.8	Very low	199 Å²	199	142.1 Å²	142.1	93%	0.93	77%	0.77	S	S	*	*			trans	-135.1	121	153.4	-161.9	163.8	17.4	0	0	108.6
620	E	28.1	Very low	30.6	Very low	143 Å²	143	143.9 Å²	143.9	67%	0.668	77%	0.766	S	S	*	*			trans	-93.6	179.5	-158.6	-57.9	163.1	106.9	0	0	114.4
621	F	26.5	Very low	30	Very low	169 Å²	169	141.5 Å²	141.5	74%	0.741	77%	0.768	S	S	*	*			trans	80.9	137.8	150.1	-71	-50.7	0	0	0	119.2
622	D	25.5	Very low	29.6	Very low	118 Å²	118	143.8 Å²	143.8	63%	0.631	77%	0.77	S	S	*	*			cis	-166.8	178.9	-1.9	-166.9	18.8	0	0	0	112.1
623	Q	27.7	Very low	29.2	Very low	150 Å²	150	144.7 Å²	144.7	70%	0.701	77%	0.774	S	S	*	*			trans	79.5	134.8	157.7	-76.1	148	57	0	0	118.4
624	T	25	Very low	29	Very low	131 Å²	131	140 Å²	140	80%	0.804	77%	0.767	S	S	*	*			cis	-156.7	143.6	-3.5	0.1	0	0	0	0	112.8
625	D	26.1	Very low	28.7	Very low	136 Å²	136	139.2 Å²	139.2	73%	0.727	77%	0.768	S	S	*	*			trans	-84.1	163.2	159.4	-129.6	-33.9	0	0	0	109.9
626	P	35.6	Very low	28.4	Very low	119 Å²	119	139.2 Å²	139.2	77%	0.773	77%	0.774	S	S	*	*				-154.3	158.3	66.9	40.4	-19.7	0	0	0	119.5
627	L	26.8	Very low	28.2	Very low	153 Å²	153	134.6 Å²	134.6	80%	0.801	77%	0.769	S	S	*	*			trans	-88.6	158.9	157.9	-80.9	163.8	0	0	0	113.5
628	P	38	Very low	27.6	Very low	106 Å²	106	139.3 Å²	139.3	69%	0.688	78%	0.779	S	S	*	*				-131	142.1	123.9	7.4	15	0	0	0	112.6
629	Q	27.9	Very low	27.5	Very low	164 Å²	164	139.6 Å²	139.6	77%	0.766	78%	0.779	S	S	*	*				80.3	122.9	54.5	-167.4	-167.4	6.6	0	0	112.3
630	E	27.7	Very low	27.5	Very low	149 Å²	149	137.6 Å²	137.6	70%	0.696	77%	0.77	S	S	*	*			cis	-161.4	150.7	-3.8	-113.3	171.6	119.2	0	0	108.6
631	D	24.9	Very low	27.9	Very low	165 Å²	165	136.3 Å²	136.3	88%	0.882	77%	0.773	S	S	*	*			trans	-158	161.2	143.4	-131.6	-30.4	0	0	0	114.5
632	V	27.7	Very low	27.9	Very low	104 Å²	104	136.6 Å²	136.6	63%	0.63	78%	0.777	S	S	*	*			trans	-146.4	141.2	-152.4	172.3	0	0	0	0	115.1
633	L	27.4	Very low	27.9	Very low	176 Å²	176	135.7 Å²	135.7	92%	0.921	78%	0.78	S	S	*	*			trans	-164.6	126.4	141	-135.5	73.5	0	0	0	117
634	G	26.5	Very low	27.6	Very low	77 Å²	77	137 Å²	137	79%	0.794	78%	0.784	S	S	*	*			trans	74.6	127.9	150.1	0	0	0	0	0	120.1
635	G	25.1	Very low	27.6	Very low	77 Å²	77	137.8 Å²	137.8	79%	0.794	78%	0.783	S	S	*	*			cis	125.7	90.3	-19.5	0	0	0	0	0	117.4
636	V	27.1	Very low	27.8	Very low	163 Å²	163	139.5 Å²	139.5	99%	0.988	79%	0.787	S	S	*	*			trans	-164.8	168	151.1	-95.4	0	0	0	0	110
637	G	24.3	Very low	27.4	Very low	70 Å²	70	141.8 Å²	141.8	72%	0.722	79%	0.787	S	S	*	*			trans	176.8	-145.8	173.4	0	0	0	0	0	113.4
638	F	25.3	Very low	27.3	Very low	208 Å²	208	141.3 Å²	141.3	91%	0.912	79%	0.785	S	S	*	*			trans	87.6	149.1	163.4	-117.1	-64.6	0	0	0	120.5
639	I	25.8	Very low	26.8	Very low	154 Å²	154	141.6 Å²	141.6	79%	0.79	79%	0.785	S	S	*	*			trans	80.7	127.8	157.6	-0.6	-179.3	0	0	0	122.7
640	H	29.4	Very low	26.8	Very low	158 Å²	158	141.1 Å²	141.1	73%	0.731	78%	0.783	S	S	*	*			trans	-94.4	155.6	165.2	-173.1	-35.6	0	0	0	110
641	P	35	Very low	26.8	Very low	115 Å²	115	139.3 Å²	139.3	75%	0.747	78%	0.778	S	S	*	*			trans	-132	163.5	156.9	37.5	-25.6	0	0	0	114.3
642	E	26.4	Very low	26.9	Very low	176 Å²	176	139 Å²	139	82%	0.822	77%	0.771	S	S	*	*			trans	-121.1	166.5	168.4	-95.1	-160.3	110.1	0	0	110.7
643	S	25.9	Very low	26.8	Very low	98 Å²	98	139.2 Å²	139.2	69%	0.685	77%	0.773	S	S	*	*			trans	74.7	125.9	159.4	75	0	0	0	0	119.7
644	F	21.9	Very low	26.6	Very low	179 Å²	179	137.5 Å²	137.5	79%	0.785	77%	0.769	S	S	*	*				180	154.3	94.7	-121.4	-86.4	0	0	0	115.1
645	N	25.7	Very low	26.5	Very low	147 Å²	147	137.2 Å²	137.2	79%	0.786	77%	0.767	S	S	*	*			trans	77.2	141.2	157.3	-83.7	-29.6	0	0	0	123.6
646	Q	29.8	Very low	26.6	Very low	172 Å²	172	140.7 Å²	140.7	80%	0.804	77%	0.772	S	S	*	*			trans	-115.1	166.1	168	-59.2	169.2	-23.3	0	0	108.9
647	Q	26.6	Very low	26.5	Very low	167 Å²	167	139.4 Å²	139.4	78%	0.78	75%	0.753	S	S	*	*				164.4	130.4	114.4	-91.4	-179.6	-18.9	0	0	114.7
648	N	25.7	Very low	26.5	Very low	143 Å²	143	143.4 Å²	143.4	77%	0.765	76%	0.755	S	S	*	*			trans	170.3	127.8	132	-82.7	-30	0	0	0	106.8
649	T	26.9	Very low	26.5	Very low	111 Å²	111	139.8 Å²	139.8	68%	0.681	75%	0.745	S	S	*	*				64.2	138.2	58.6	69.4	0	0	0	0	112.7
650	E	26.7	Very low	26.6	Very low	154 Å²	154	137 Å²	137	72%	0.72	75%	0.745	S	S	*	*			cis	-161.7	159.4	15.7	-143.2	178.1	-133.5	0	0	113
651	N	28.1	Very low	26.7	Very low	112 Å²	112	136.1 Å²	136.1	60%	0.599	75%	0.75	S	S	*	*			trans	64	159.8	156.5	-66.5	-40.5	0	0	0	119.2
652	Q	26.6	Very low	26.9	Very low	158 Å²	158	135.6 Å²	135.6	74%	0.738	75%	0.747	S	S	*	*			cis	-168.8	166.1	-13.6	-106.7	175.7	37.9	0	0	107.1
653	V	26.1	Very low	26.7	Very low	109 Å²	109	136 Å²	136	66%	0.661	75%	0.749	S	S	*	*			cis	177.1	127	-22.9	124	0	0	0	0	108.6
654	T	23.8	Very low	26.6	Very low	139 Å²	139	139.6 Å²	139.6	85%	0.853	76%	0.757	S	S	*	*			trans	68.2	139.1	150.6	61.9	0	0	0	0	126.6
655	G	25.1	Very low	26.8	Very low	72 Å²	72	141.9 Å²	141.9	74%	0.742	76%	0.76	S	S	*	*			trans	128.2	147.5	140.3	0	0	0	0	0	115.7
656	V	27	Very low	26.7	Very low	149 Å²	149	143.3 Å²	143.3	90%	0.903	77%	0.765	S	S	*	*			cis	-175	151.9	-5.8	124	0	0	0	0	107
657	K	24	Very low	26.5	Very low	137 Å²	137	142.9 Å²	142.9	60%	0.596	76%	0.763	S	S	*	*			cis	-160.4	135.4	-17.9	173.8	-169.4	164.2	-74.3	0	110.7	D659	K657-D659 IonicContact NZ-OD1 3.96Å; K657-D659 PolarHBondContact NZ-OD1 3.37Å; K657-D659 IonicContact NZ-OD2 2.81Å; K657-D659 PolarHBondContact NZ-OD2 3.02Å
658	M	25.3	Very low	26.5	Very low	154 Å²	154	140.8 Å²	140.8	76%	0.759	76%	0.761	S	S	*	*			trans	12.5	142.1	138.9	-135.9	111.8	71.9	0	0	123.2
659	D	25.3	Very low	26.7	Very low	132 Å²	132	142.6 Å²	142.6	71%	0.706	77%	0.765	S	S	*	*				-178.5	159.7	110.1	-88.4	-14.6	0	0	0	116.5	K657	K657-D659 IonicContact NZ-OD1 3.96Å; K657-D659 PolarHBondContact NZ-OD1 3.37Å; K657-D659 IonicContact NZ-OD2 2.81Å; K657-D659 PolarHBondContact NZ-OD2 3.02Å
660	A	26.7	Very low	26.7	Very low	95 Å²	95	145 Å²	145	79%	0.785	77%	0.774	S	S	*	*			trans	73.9	138	169.5	0	0	0	0	0	119.9
661	V	31.2	Very low	26.8	Very low	139 Å²	139	149.3 Å²	149.3	84%	0.842	78%	0.784	S	S	*	*			cis	132.8	143.8	-2	150.4	0	0	0	0	109.2
662	P	39.3	Very low	26.8	Very low	105 Å²	105	152.6 Å²	152.6	68%	0.682	80%	0.796	S	S	*	*			cis	-127	156.1	-12.6	39.7	-21.6	0	0	0	114.8
663	E	24.1	Very low	26.9	Very low	183 Å²	183	150.6 Å²	150.6	86%	0.855	80%	0.799	S	S	*	*				73.8	113.8	97.6	-163.4	179.8	176.8	0	0	119.7
664	M	23.5	Very low	26.8	Very low	174 Å²	174	150.6 Å²	150.6	86%	0.857	80%	0.799	S	S	*	*				-177.1	171.3	101.6	-144.8	-150	-71.4	0	0	112.4
665	R	24.8	Very low	26.8	Very low	227 Å²	227	153 Å²	153	86%	0.857	80%	0.801	S	S	*	*			trans	-125.1	138.6	173	-92.6	-178.7	156.7	100.4	-6.3	110.2
666	M	24.1	Very low	26.9	Very low	178 Å²	178	159 Å²	159	88%	0.877	80%	0.802	S	S	*	*				-174.9	169.5	120.2	-103.9	-171.3	73.6	0	0	112
667	E	26.7	Very low	26.8	Very low	163 Å²	163	157.9 Å²	157.9	76%	0.762	79%	0.787	S	S	*	*			trans	-92.6	158.9	-171	-58.6	146.3	147.3	0	0	112.5
668	T	26.2	Very low	26.9	Very low	122 Å²	122	158.1 Å²	158.1	75%	0.748	80%	0.8	S	S	*	*				177.4	126.3	109.9	40.6	0	0	0	0	112.7
669	E	30.2	Very low	27	Very low	181 Å²	181	157.5 Å²	157.5	85%	0.846	80%	0.795	S	S	*	*			trans	61.8	163	142.5	-73.6	172.2	110.8	0	0	123.9
670	D	25.3	Very low	27.1	Very low	163 Å²	163	160.5 Å²	160.5	87%	0.872	80%	0.804	S	S	*	*			trans	63	121	175.5	-72.7	-32.4	0	0	0	122.2
671	R	29.6	Very low	27.1	Very low	244 Å²	244	164.5 Å²	164.5	92%	0.921	81%	0.807	S	S	*	*			trans	-84.6	113.1	176.6	-85.3	163	43	106.7	-4.7	111.1
672	Q	28.4	Very low	26.8	Very low	181 Å²	181	167 Å²	167	85%	0.846	81%	0.807	S	S	*	*			trans	-148.9	111.2	156.4	-132.8	171.9	15.5	0	0	113.6	T674	Q672-T674 HydrophobicContact CG-CG2 4.48Å
673	S	27.8	Very low	26.3	Very low	116 Å²	116	169 Å²	169	81%	0.811	81%	0.811	S	S	*	*			trans	-147.5	120	160.4	47.9	0	0	0	0	106
674	T	24.7	Very low	26.7	Very low	109 Å²	109	165.2 Å²	165.2	67%	0.669	80%	0.8	S	S	*	*			cis	68.3	84.6	27.7	84.8	0	0	0	0	114.4	Q672	Q672-T674 HydrophobicContact CG-CG2 4.48Å
675	E	23.7	Very low	26.8	Very low	190 Å²	190	165.7 Å²	165.7	89%	0.888	80%	0.797	S	S	*	*			trans	-109.5	124.8	154.1	-169.6	173.5	138	0	0	107
676	Y	26.3	Very low	27	Very low	196 Å²	196	163.8 Å²	163.8	77%	0.769	80%	0.796	S	S	*	*			trans	-92.1	119	168.1	-89.7	-103.8	0	0	0	106.5
677	E	26.3	Very low	27.7	Very low	126 Å²	126	159.8 Å²	159.8	59%	0.589	79%	0.791	S	S	*	*				65.2	114.6	73.8	-170.9	-173.5	-170.6	0	0	113.2	H679	E677-H679 IonicContact OE1-ND1 3.91Å
678	V	24.7	Very low	28.2	Very low	143 Å²	143	160.8 Å²	160.8	87%	0.867	80%	0.796	S	S	*	*			trans	-124.4	103.2	146.8	179.5	0	0	0	0	108.1
679	H	27.4	Very low	29	Very low	140 Å²	140	162.3 Å²	162.3	65%	0.648	80%	0.799	S	S	*	*			trans	7.7	133.8	164.6	-60.9	-52.4	0	0	0	120.5	E677	E677-H679 IonicContact OE1-ND1 3.91Å
680	H	27.1	Very low	29.5	Very low	195 Å²	195	160.4 Å²	160.4	90%	0.903	80%	0.799	S	S	*	*				-134	142.6	120	-125.9	-96.3	0	0	0	111.8	K682	H680-K682 PolarHBondContact O-N 2.88Å
681	Q	26.8	Very low	30.6	Very low	179 Å²	179	158.2 Å²	158.2	84%	0.836	80%	0.797	S	S	*	*			trans	-85.8	103.8	-154.7	-169.7	172.4	4.8	0	0	113.6	L683	Q681-L683 PolarHBondContact O-N 2.98Å
682	K	25.7	Very low	31.5	Very low	193 Å²	193	150.1 Å²	150.1	84%	0.839	78%	0.778	S	S	*	*			trans	-80.4	110.5	174.9	-169.4	172.5	-174.1	173.5	0	111.1	H680 V684	H680-K682 PolarHBondContact O-N 2.88Å; K682-V684 PolarHBondContact O-N 3.48Å
683	L	28.7	Very low	32.9	Very low	147 Å²	147	148.2 Å²	148.2	77%	0.77	77%	0.773	S	S	*	*			trans	-80.3	117.8	178.1	-137.6	152.2	0	0	0	109.9	Q681 F685	Q681-L683 PolarHBondContact O-N 2.98Å; L683-F685 HydrophobicContact CD2-CD2 4.4Å; L683-F685 HydrophobicContact CD2-CE2 4.3Å
684	V	32	Very low	34.1	Very low	103 Å²	103	150.1 Å²	150.1	62%	0.624	77%	0.767	S	S	*	*			trans	-87.6	135.6	-175.8	-175.5	0	0	0	0	110.2	K682	K682-V684 PolarHBondContact O-N 3.48Å
685	F	25.7	Very low	35.5	Very low	183 Å²	183	147.2 Å²	147.2	80%	0.803	76%	0.759	S	S	*	*			trans	-131.1	149.7	150.5	-97.9	-81.9	0	0	0	110.4	L683	L683-F685 HydrophobicContact CD2-CD2 4.4Å; L683-F685 HydrophobicContact CD2-CE2 4.3Å
686	F	30.4	Very low	37.1	Very low	188 Å²	188	141.4 Å²	141.4	83%	0.825	74%	0.743	S	S	*	*			trans	-75.9	144.5	-161.1	-70.8	-104.1	0	0	0	112.9
687	A	38.6	Very low	38.8	Very low	94 Å²	94	136.9 Å²	136.9	78%	0.777	73%	0.732	S	S	*	*			trans	-89.9	116.4	150.5	0	0	0	0	0	108.2
688	E	36.3	Very low	40.6	Very low	184 Å²	184	136.1 Å²	136.1	86%	0.86	73%	0.73	S	S	*	*			trans	-168	159.5	138.7	-108.3	168.8	175.5	0	0	110.3
689	D	43.7	Very low	42.5	Very low	154 Å²	154	131.5 Å²	131.5	82%	0.824	71%	0.712	S	S	*	*			trans	48.1	89.6	172	-71.9	-16.2	0	0	0	120.1
690	V	39.6	Very low	44.5	Very low	140 Å²	140	131.3 Å²	131.3	85%	0.848	72%	0.715	S	S	*	*				-141.7	116.4	116.6	-162.9	0	0	0	0	111.3	S692	V690-S692 PolarHBondContact O-N 3.14Å
691	S	48.1	Very low	46.7	Very low	117 Å²	117	128.4 Å²	128.4	82%	0.818	70%	0.703	S	S	*	*			trans	-74.2	109.1	163.8	177.9	0	0	0	0	110.5
692	S	48.9	Very low	49.1	Very low	74 Å²	74	124.1 Å²	124.1	52%	0.517	69%	0.689	S	S	.	*			trans	-158.8	119.5	164.9	-150.9	0	0	0	0	113.9	V690 K694 G695	V690-S692 PolarHBondContact O-N 3.14Å; S692-K694 PolarHBondContact O-N 3.05Å; S692-G695 PolarHBondContact O-N 3.4Å
693	N	57.9	Low	51.7	Low	141 Å²	141	116.3 Å²	116.3	75%	0.754	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	11.9	-179.5	-59.6	-7.6	0	0	0	114.6	I697	N693-I697 VanDerWaalsContact O-CD1 3.25Å; N693-I697 WeakPolarHBondContact O-CD1 3.4Å; N693-I697 WeakPolarHBondContact O-CG1 3.35Å
694	K	54.3	Low	54.2	Low	156 Å²	156	111.1 Å²	111.1	68%	0.678	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-31.9	176.7	-66.7	-177.2	176.3	-178	0	113	S692 I697 I698	S692-K694 PolarHBondContact O-N 3.05Å; K694-I697 PolarHBondContact O-N 3.4Å; K694-I698 WeakPolarHBondContact O-CG1 3.37Å; K694-I698 PolarHBondContact O-N 3.47Å; K694-I698 VanDerWaalsContact O-N 3.13Å
695	G	53.9	Low	56.5	Low	48 Å²	48	110.7 Å²	110.7	50%	0.495	64%	0.643	S	S	.	*	H	α-helix	trans	-62.8	-47.8	-178	0	0	0	0	0	112.5	S692 I697 I698 G699	S692-G695 PolarHBondContact O-N 3.4Å; G695-I697 VanDerWaalsContact C-N 3.32Å; G695-I697 PolarHBondContact O-N 3.15Å; G695-I698 PolarHBondContact O-N 3.21Å; G695-G699 PolarHBondContact O-N 3.5Å
696	A	57.6	Low	59.1	Low	69 Å²	69	105.8 Å²	105.8	57%	0.57	63%	0.628	S	S	*	*	H	α-helix	trans	-61.1	-37.4	177.5	0	0	0	0	0	113.1	G699 L700	A696-G699 PolarHBondContact O-N 3.04Å; A696-L700 WeakPolarHBondContact O-CB 3.22Å; A696-L700 WeakPolarHBondContact O-CG 3.36Å; A696-L700 PolarHBondContact O-N 3.45Å
697	I	61	Low	61.7	Low	101 Å²	101	101.9 Å²	101.9	52%	0.518	61%	0.614	S	S	.	*	H	α-helix	trans	-67.2	-41.2	177.7	-60.6	175.8	0	0	0	110.6	N693 K694 G695 L700 M701	N693-I697 VanDerWaalsContact O-CD1 3.25Å; N693-I697 WeakPolarHBondContact O-CD1 3.4Å; N693-I697 WeakPolarHBondContact O-CG1 3.35Å; K694-I697 PolarHBondContact O-N 3.4Å; G695-I697 VanDerWaalsContact C-N 3.32Å; G695-I697 PolarHBondContact O-N 3.15Å; I697-L700 PolarHBondContact O-N 2.66Å; I697-M701 HydrophobicContact CG2-CG 4.41Å; I697-M701 WeakPolarHBondContact O-CB 3.33Å; I697-M701 WeakPolarHBondContact O-CG 3.49Å; I697-M701 PolarHBondContact O-N 3.06Å
698	I	63.4	Low	63.7	Low	109 Å²	109	99.8 Å²	99.8	56%	0.559	60%	0.597	S	S	*	*	H	α-helix	trans	-66.5	-42.5	176.4	-65.1	165.7	0	0	0	110.5	K694 G695 L700 M701 V702	K694-I698 WeakPolarHBondContact O-CG1 3.37Å; K694-I698 PolarHBondContact O-N 3.47Å; K694-I698 VanDerWaalsContact O-N 3.13Å; G695-I698 PolarHBondContact O-N 3.21Å; I698-L700 PolarHBondContact O-N 3.06Å; I698-M701 PolarHBondContact O-N 3.34Å; I698-V702 HydrophobicContact CG2-CG2 4.45Å; I698-V702 WeakPolarHBondContact O-CG2 3.47Å; I698-V702 PolarHBondContact O-N 3.41Å
699	G	65.1	Low	65.6	Low	47 Å²	47	94.3 Å²	94.3	49%	0.485	58%	0.576	S	S	.	*	H	α-helix	trans	-59.5	-44.5	174.8	0	0	0	0	0	113.1	G695 A696 G703	G695-G699 PolarHBondContact O-N 3.5Å; A696-G699 PolarHBondContact O-N 3.04Å; G699-G703 PolarHBondContact O-N 2.89Å
700	L	70.2	Confident	67.4	Low	135 Å²	135	90.8 Å²	90.8	71%	0.707	56%	0.56	S	S	*	*	H	α-helix	trans	-69.4	-34.7	176.4	-71.5	171.1	0	0	0	113	A696 I697 I698 G704	A696-L700 WeakPolarHBondContact O-CB 3.22Å; A696-L700 WeakPolarHBondContact O-CG 3.36Å; A696-L700 PolarHBondContact O-N 3.45Å; I697-L700 PolarHBondContact O-N 2.66Å; I698-L700 PolarHBondContact O-N 3.06Å; L700-G704 PolarHBondContact O-N 3.1Å
701	M	73.7	Confident	69.6	Low	135 Å²	135	88.2 Å²	88.2	67%	0.665	54%	0.541	S	S	*	.	H	α-helix	trans	-64.3	-48.3	173	-76.4	-78	-174.3	0	0	111.5	I697 I698 G704 V705	I697-M701 HydrophobicContact CG2-CG 4.41Å; I697-M701 WeakPolarHBondContact O-CB 3.33Å; I697-M701 WeakPolarHBondContact O-CG 3.49Å; I697-M701 PolarHBondContact O-N 3.06Å; I698-M701 PolarHBondContact O-N 3.34Å; M701-G704 PolarHBondContact O-N 3.16Å; M701-V705 WeakPolarHBondContact O-CG2 3.28Å; M701-V705 PolarHBondContact O-N 2.96Å
702	V	76.3	Confident	71.2	Confident	88 Å²	88	86.9 Å²	86.9	53%	0.533	53%	0.527	S	S	.	.	H	α-helix	trans	-66.9	-44.2	179.1	174.7	0	0	0	0	110.9	I698 G704 V705 V706	I698-V702 HydrophobicContact CG2-CG2 4.45Å; I698-V702 WeakPolarHBondContact O-CG2 3.47Å; I698-V702 PolarHBondContact O-N 3.41Å; V702-G704 VanDerWaalsContact C-N 3.34Å; V702-G704 PolarHBondContact O-N 3.07Å; V702-V705 PolarHBondContact O-N 3.31Å; V702-V706 WeakPolarHBondContact O-CG2 3.35Å; V702-V706 PolarHBondContact O-N 2.79Å
703	G	79.6	Confident	72.5	Confident	30 Å²	30	88 Å²	88	31%	0.309	53%	0.526	S	S	.	.	H	α-helix	trans	-60	-42.4	174	0	0	0	0	0	112.6	G699 V706 I707	G699-G703 PolarHBondContact O-N 2.89Å; G703-V706 PolarHBondContact O-N 3.42Å; G703-I707 WeakPolarHBondContact O-CB 3.45Å; G703-I707 VanDerWaalsContact O-CG1 3.25Å; G703-I707 WeakPolarHBondContact O-CG1 3.46Å; G703-I707 PolarHBondContact O-N 3.44Å
704	G	82.1	Confident	73.2	Confident	37 Å²	37	84.3 Å²	84.3	38%	0.381	51%	0.509	S	S	.	.	H	α-helix	trans	-62.8	-40.3	175	0	0	0	0	0	113.3	L700 M701 V702 A708	L700-G704 PolarHBondContact O-N 3.1Å; M701-G704 PolarHBondContact O-N 3.16Å; V702-G704 VanDerWaalsContact C-N 3.34Å; V702-G704 PolarHBondContact O-N 3.07Å; G704-A708 WeakPolarHBondContact O-CB 3.03Å; G704-A708 PolarHBondContact O-N 2.88Å
705	V	81.2	Confident	74.1	Confident	94 Å²	94	81.4 Å²	81.4	57%	0.57	50%	0.501	S	S	*	.	H	α-helix	trans	-65.9	-44.9	173.6	170.1	0	0	0	0	111.2	M701 V702 A708 T709	M701-V705 WeakPolarHBondContact O-CG2 3.28Å; M701-V705 PolarHBondContact O-N 2.96Å; V702-V705 PolarHBondContact O-N 3.31Å; V705-A708 PolarHBondContact O-N 3.24Å; V705-T709 WeakPolarHBondContact O-CG2 3.45Å; V705-T709 PolarHBondContact O-N 3.09Å; V705-T709 PolarHBondContact O-OG1 3.13Å
706	V	79.8	Confident	74.9	Confident	80 Å²	80	83.3 Å²	83.3	49%	0.485	50%	0.503	S	S	.	.	H	α-helix	trans	-60.9	-49.6	177	172.1	0	0	0	0	110.6	V702 G703 A708 T709 V710	V702-V706 WeakPolarHBondContact O-CG2 3.35Å; V702-V706 PolarHBondContact O-N 2.79Å; G703-V706 PolarHBondContact O-N 3.42Å; V706-A708 VanDerWaalsContact C-N 3.33Å; V706-A708 PolarHBondContact O-N 3.46Å; V706-T709 WeakPolarHBondContact CA-OG1 3.4Å; V706-T709 PolarHBondContact O-N 3.31Å; V706-T709 VanDerWaalsContact O-N 3.15Å; V706-T709 PolarHBondContact O-OG1 3.45Å; V706-V710 WeakPolarHBondContact O-CG2 3.38Å; V706-V710 PolarHBondContact O-N 2.9Å
707	I	84.3	Confident	75.1	Confident	106 Å²	106	86.1 Å²	86.1	54%	0.544	51%	0.505	S	S	.	.	H	α-helix	trans	-59.5	-43.3	176.8	-68.7	165.2	0	0	0	110.9	G703 T709 V710 I711	G703-I707 WeakPolarHBondContact O-CB 3.45Å; G703-I707 VanDerWaalsContact O-CG1 3.25Å; G703-I707 WeakPolarHBondContact O-CG1 3.46Å; G703-I707 PolarHBondContact O-N 3.44Å; I707-T709 PolarHBondContact O-N 2.82Å; I707-V710 PolarHBondContact O-N 3.14Å; I707-I711 HydrophobicContact CG2-CD1 3.7Å; I707-I711 HydrophobicContact CG2-CG1 4.4Å; I707-I711 WeakPolarHBondContact O-CB 3.41Å; I707-I711 VanDerWaalsContact O-CG1 3.29Å; I707-I711 WeakPolarHBondContact O-CG1 3.15Å; I707-I711 PolarHBondContact O-N 3.33Å
708	A	80.3	Confident	74.9	Confident	50 Å²	50	86.2 Å²	86.2	41%	0.413	51%	0.506	S	S	.	.	H	α-helix	trans	-62.5	-41.3	175.4	0	0	0	0	0	112.3	G704 V705 V706 I711 V712	G704-A708 WeakPolarHBondContact O-CB 3.03Å; G704-A708 PolarHBondContact O-N 2.88Å; V705-A708 PolarHBondContact O-N 3.24Å; V706-A708 VanDerWaalsContact C-N 3.33Å; V706-A708 PolarHBondContact O-N 3.46Å; A708-I711 PolarHBondContact O-N 2.91Å; A708-V712 WeakPolarHBondContact O-CB 3.07Å; A708-V712 VanDerWaalsContact O-CG2 3.32Å; A708-V712 WeakPolarHBondContact O-CG2 3.22Å; A708-V712 PolarHBondContact O-N 3.46Å
709	T	77.9	Confident	74.4	Confident	69 Å²	69	89.4 Å²	89.4	42%	0.423	51%	0.511	S	S	.	.	H	α-helix	trans	-65.8	-39.3	174.8	55	0	0	0	0	112.4	V705 V706 I707 V712 I713	V705-T709 WeakPolarHBondContact O-CG2 3.45Å; V705-T709 PolarHBondContact O-N 3.09Å; V705-T709 PolarHBondContact O-OG1 3.13Å; V706-T709 WeakPolarHBondContact CA-OG1 3.4Å; V706-T709 PolarHBondContact O-N 3.31Å; V706-T709 VanDerWaalsContact O-N 3.15Å; V706-T709 PolarHBondContact O-OG1 3.45Å; I707-T709 PolarHBondContact O-N 2.82Å; T709-V712 PolarHBondContact O-N 3.4Å; T709-I713 WeakPolarHBondContact O-CB 3.38Å; T709-I713 WeakPolarHBondContact O-CD1 3.48Å; T709-I713 WeakPolarHBondContact O-CG1 3.25Å; T709-I713 PolarHBondContact O-N 2.94Å
710	V	80.4	Confident	73.4	Confident	81 Å²	81	95.7 Å²	95.7	49%	0.491	53%	0.525	S	S	.	.	H	α-helix	trans	-65.8	-39.2	174.7	172.8	0	0	0	0	111.1	V706 I707 I713 T714	V706-V710 WeakPolarHBondContact O-CG2 3.38Å; V706-V710 PolarHBondContact O-N 2.9Å; I707-V710 PolarHBondContact O-N 3.14Å; V710-I713 PolarHBondContact O-N 3.23Å; V710-T714 WeakPolarHBondContact O-CB 3.34Å; V710-T714 WeakPolarHBondContact O-CG2 3.31Å; V710-T714 PolarHBondContact O-N 3.05Å; V710-T714 PolarHBondContact O-OG1 2.87Å
711	I	84.9	Confident	72	Confident	86 Å²	86	97.6 Å²	97.6	44%	0.441	53%	0.528	S	S	.	.	H	α-helix	trans	-66.4	-42.4	174.6	-70.4	168.9	0	0	0	111	I707 A708 T714 L715	I707-I711 HydrophobicContact CG2-CD1 3.7Å; I707-I711 HydrophobicContact CG2-CG1 4.4Å; I707-I711 WeakPolarHBondContact O-CB 3.41Å; I707-I711 VanDerWaalsContact O-CG1 3.29Å; I707-I711 WeakPolarHBondContact O-CG1 3.15Å; I707-I711 PolarHBondContact O-N 3.33Å; A708-I711 PolarHBondContact O-N 2.91Å; I711-T714 WeakPolarHBondContact CA-OG1 3.24Å; I711-T714 PolarHBondContact O-OG1 3.18Å; I711-T714 VanDerWaalsContact O-OG1 3.11Å; I711-L715 HydrophobicContact CG2-CD1 3.8Å; I711-L715 HydrophobicContact CG2-CG 4.35Å; I711-L715 VanDerWaalsContact O-CB 3.27Å; I711-L715 WeakPolarHBondContact O-CB 3.49Å; I711-L715 VanDerWaalsContact O-CG 3.23Å; I711-L715 WeakPolarHBondContact O-CG 3.41Å; I711-L715 PolarHBondContact O-N 2.94Å
712	V	82.3	Confident	70.1	Confident	88 Å²	88	98.6 Å²	98.6	53%	0.533	53%	0.531	S	S	.	.	H	α-helix	trans	-66	-43.1	175.8	169.7	0	0	0	0	111.3	A708 T709 L715 V716	A708-V712 WeakPolarHBondContact O-CB 3.07Å; A708-V712 VanDerWaalsContact O-CG2 3.32Å; A708-V712 WeakPolarHBondContact O-CG2 3.22Å; A708-V712 PolarHBondContact O-N 3.46Å; T709-V712 PolarHBondContact O-N 3.4Å; V712-L715 PolarHBondContact O-N 3.06Å; V712-V716 HydrophobicContact CG1-CG2 4.37Å; V712-V716 WeakPolarHBondContact O-CB 3.29Å; V712-V716 VanDerWaalsContact O-CG2 3.25Å; V712-V716 WeakPolarHBondContact O-CG2 3.35Å; V712-V716 PolarHBondContact O-N 3.29Å
713	I	75.9	Confident	68.1	Low	97 Å²	97	103.5 Å²	103.5	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-63.3	-46.3	176.9	-70.8	164	0	0	0	110.6	T709 V710 V716 M717	T709-I713 WeakPolarHBondContact O-CB 3.38Å; T709-I713 WeakPolarHBondContact O-CD1 3.48Å; T709-I713 WeakPolarHBondContact O-CG1 3.25Å; T709-I713 PolarHBondContact O-N 2.94Å; V710-I713 PolarHBondContact O-N 3.23Å; I713-V716 PolarHBondContact O-N 3.25Å; I713-M717 HydrophobicContact CG2-CG 4.42Å; I713-M717 HydrophobicContact CG2-SD 3.94Å; I713-M717 WeakPolarHBondContact O-CB 3.42Å; I713-M717 VanDerWaalsContact O-CG 3.3Å; I713-M717 WeakPolarHBondContact O-CG 3.42Å; I713-M717 PolarHBondContact O-N 3.26Å
714	T	72.4	Confident	65.8	Low	65 Å²	65	107.5 Å²	107.5	40%	0.399	56%	0.56	S	S	.	*	H	α-helix	trans	-66.4	-38.8	176.9	48.3	0	0	0	0	112.3	V710 I711 M717 L718	V710-T714 WeakPolarHBondContact O-CB 3.34Å; V710-T714 WeakPolarHBondContact O-CG2 3.31Å; V710-T714 PolarHBondContact O-N 3.05Å; V710-T714 PolarHBondContact O-OG1 2.87Å; I711-T714 WeakPolarHBondContact CA-OG1 3.24Å; I711-T714 PolarHBondContact O-OG1 3.18Å; I711-T714 VanDerWaalsContact O-OG1 3.11Å; T714-M717 PolarHBondContact O-N 2.89Å; T714-L718 VanDerWaalsContact O-CB 3.26Å; T714-L718 WeakPolarHBondContact O-CB 3.36Å; T714-L718 WeakPolarHBondContact O-CD1 3.47Å; T714-L718 WeakPolarHBondContact O-CG 3.43Å; T714-L718 PolarHBondContact O-N 2.93Å
715	L	73.9	Confident	63.5	Low	95 Å²	95	109.7 Å²	109.7	50%	0.497	57%	0.569	S	S	.	*	H	α-helix	trans	-66.1	-35	172.3	-73.7	172	0	0	0	112.9	I711 V712 R719	I711-L715 HydrophobicContact CG2-CD1 3.8Å; I711-L715 HydrophobicContact CG2-CG 4.35Å; I711-L715 VanDerWaalsContact O-CB 3.27Å; I711-L715 WeakPolarHBondContact O-CB 3.49Å; I711-L715 VanDerWaalsContact O-CG 3.23Å; I711-L715 WeakPolarHBondContact O-CG 3.41Å; I711-L715 PolarHBondContact O-N 2.94Å; V712-L715 PolarHBondContact O-N 3.06Å; L715-R719 WeakPolarHBondContact O-CB 3.43Å; L715-R719 WeakPolarHBondContact O-CG 3.44Å; L715-R719 PolarHBondContact O-N 2.92Å
716	V	70.4	Confident	61.3	Low	88 Å²	88	108.9 Å²	108.9	53%	0.533	56%	0.561	S	S	.	*	H	α-helix	trans	-69.2	-42.4	173.3	166.6	0	0	0	0	110.9	V712 I713 R719 K720	V712-V716 HydrophobicContact CG1-CG2 4.37Å; V712-V716 WeakPolarHBondContact O-CB 3.29Å; V712-V716 VanDerWaalsContact O-CG2 3.25Å; V712-V716 WeakPolarHBondContact O-CG2 3.35Å; V712-V716 PolarHBondContact O-N 3.29Å; I713-V716 PolarHBondContact O-N 3.25Å; V716-R719 PolarHBondContact O-N 2.78Å; V716-K720 WeakPolarHBondContact O-CB 3.32Å; V716-K720 PolarHBondContact O-N 3.41Å
717	M	61.1	Low	58.9	Low	128 Å²	128	113.1 Å²	113.1	63%	0.631	58%	0.575	S	S	*	*	H	α-helix	trans	-68	-37.4	175.8	-70.6	179.3	115.7	0	0	112.4	I713 T714 K720 K721	I713-M717 HydrophobicContact CG2-CG 4.42Å; I713-M717 HydrophobicContact CG2-SD 3.94Å; I713-M717 WeakPolarHBondContact O-CB 3.42Å; I713-M717 VanDerWaalsContact O-CG 3.3Å; I713-M717 WeakPolarHBondContact O-CG 3.42Å; I713-M717 PolarHBondContact O-N 3.26Å; T714-M717 PolarHBondContact O-N 2.89Å; M717-K720 PolarHBondContact O-N 2.89Å; M717-K721 PolarHBondContact O-N 3.02Å
718	L	56.9	Low	56.5	Low	102 Å²	102	114.1 Å²	114.1	53%	0.534	58%	0.577	S	S	.	*	H	α-helix	trans	-67.2	-40.9	173.7	-73.6	167	0	0	0	111.4	T714 K721 Q722	T714-L718 VanDerWaalsContact O-CB 3.26Å; T714-L718 WeakPolarHBondContact O-CB 3.36Å; T714-L718 WeakPolarHBondContact O-CD1 3.47Å; T714-L718 WeakPolarHBondContact O-CG 3.43Å; T714-L718 PolarHBondContact O-N 2.93Å; L718-K721 CarbonylContact O-C 3.54Å; L718-K721 WeakPolarHBondContact O-CA 3.3Å; L718-K721 PolarHBondContact O-N 2.9Å; L718-K721 VanDerWaalsContact O-N 3.14Å; L718-Q722 PolarHBondContact O-N 2.62Å; L718-Q722 VanDerWaalsContact O-N 3.15Å
719	R	52.8	Low	54.2	Low	176 Å²	176	113.5 Å²	113.5	66%	0.664	58%	0.576	S	S	*	*	H	α-helix	trans	-62.6	-42.6	170.4	-79.2	177.5	171.6	179.9	-3.7	112	L715 V716 K721 Q722 Y723	L715-R719 WeakPolarHBondContact O-CB 3.43Å; L715-R719 WeakPolarHBondContact O-CG 3.44Å; L715-R719 PolarHBondContact O-N 2.92Å; V716-R719 PolarHBondContact O-N 2.78Å; R719-K721 PolarHBondContact O-N 3.28Å; R719-Q722 PolarHBondContact O-N 3.43Å; R719-Y723 WeakPolarHBondContact O-CD2 3.44Å; R719-Y723 PolarHBondContact O-N 2.89Å
720	K	45.7	Very low	52.3	Low	180 Å²	180	113.4 Å²	113.4	78%	0.783	58%	0.575	S	S	*	*	H	α-helix	trans	-62	-26.6	173.9	-126	-169.8	179.1	-163.4	0	112.6	V716 M717	V716-K720 WeakPolarHBondContact O-CB 3.32Å; V716-K720 PolarHBondContact O-N 3.41Å; M717-K720 PolarHBondContact O-N 2.89Å
721	K	40.2	Very low	50.3	Low	174 Å²	174	116.2 Å²	116.2	76%	0.757	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-5.7	171.1	-90.6	-163.6	169.4	-167.2	0	115.5	M717 L718 R719	M717-K721 PolarHBondContact O-N 3.02Å; L718-K721 CarbonylContact O-C 3.54Å; L718-K721 WeakPolarHBondContact O-CA 3.3Å; L718-K721 PolarHBondContact O-N 2.9Å; L718-K721 VanDerWaalsContact O-N 3.14Å; R719-K721 PolarHBondContact O-N 3.28Å
722	Q	34.5	Very low	48.1	Very low	156 Å²	156	115.4 Å²	115.4	73%	0.729	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-14.3	175.3	-72.9	-170.3	-72.2	0	0	113.7	L718 R719 T724	L718-Q722 PolarHBondContact O-N 2.62Å; L718-Q722 VanDerWaalsContact O-N 3.15Å; R719-Q722 PolarHBondContact O-N 3.43Å; Q722-T724 VanDerWaalsContact C-N 3.26Å; Q722-T724 PolarHBondContact O-N 3.09Å
723	Y	32.4	Very low	46.1	Very low	191 Å²	191	116.5 Å²	116.5	75%	0.749	59%	0.587	S	S	*	*			trans	-88.8	56.3	173.7	-76.8	-76.8	0	0	0	112.6	R719	R719-Y723 WeakPolarHBondContact O-CD2 3.44Å; R719-Y723 PolarHBondContact O-N 2.89Å
724	T	32.6	Very low	44.2	Very low	114 Å²	114	113.4 Å²	113.4	70%	0.699	57%	0.572	S	S	*	*			trans	-126.4	55.4	159.4	56.7	0	0	0	0	108.4	Q722 I726	Q722-T724 VanDerWaalsContact C-N 3.26Å; Q722-T724 PolarHBondContact O-N 3.09Å; T724-I726 PolarHBondContact O-N 3.28Å; T724-I726 VanDerWaalsContact O-N 3.07Å
725	S	32.8	Very low	42.7	Very low	83 Å²	83	114.6 Å²	114.6	58%	0.58	59%	0.588	S	S	*	*			trans	-72.7	94.2	173.5	50.8	0	0	0	0	109.2	H727	S725-H727 PolarHBondContact O-CD2 3.43Å; S725-H727 PolarHBondContact O-N 3.39Å; S725-H727 VanDerWaalsContact O-N 3.09Å
726	I	35.3	Very low	41.2	Very low	77 Å²	77	113.6 Å²	113.6	40%	0.395	59%	0.593	S	S	.	*			trans	-58.8	113.2	177.7	-60.3	173.3	0	0	0	108.4	V559 T724 H728	V559-I726 HydrophobicContact CG2-CD1 3.6Å; T724-I726 PolarHBondContact O-N 3.28Å; T724-I726 VanDerWaalsContact O-N 3.07Å; I726-H728 PolarHBondContact O-N 2.88Å; I726-H728 VanDerWaalsContact O-N 3.13Å; I726-H728 PolarHBondContact O-ND1 3.49Å
727	H	28.7	Very low	39.9	Very low	170 Å²	170	112 Å²	112	79%	0.787	58%	0.583	S	S	*	*			trans	-64.7	114.7	179.1	-88.2	-108.9	0	0	0	109.3	S725 G729	S725-H727 PolarHBondContact O-CD2 3.43Å; S725-H727 PolarHBondContact O-N 3.39Å; S725-H727 VanDerWaalsContact O-N 3.09Å; H727-G729 VanDerWaalsContact C-N 3.26Å; H727-G729 PolarHBondContact O-N 3.01Å
728	H	35.8	Very low	39.1	Very low	126 Å²	126	108.8 Å²	108.8	58%	0.583	57%	0.571	S	S	*	*			trans	-71.6	80.1	177.6	-76.5	34.7	0	0	0	110.8	I726	I726-H728 PolarHBondContact O-N 2.88Å; I726-H728 VanDerWaalsContact O-N 3.13Å; I726-H728 PolarHBondContact O-ND1 3.49Å
729	G	30.6	Very low	38.5	Very low	38 Å²	38	108.1 Å²	108.1	39%	0.392	57%	0.573	S	S	.	*			trans	-103.5	147.3	162.9	0	0	0	0	0	110.1	H727 I731	H727-G729 VanDerWaalsContact C-N 3.26Å; H727-G729 PolarHBondContact O-N 3.01Å; G729-I731 PolarHBondContact O-N 2.71Å; G729-I731 VanDerWaalsContact O-N 3.13Å
730	V	37.9	Very low	38	Very low	67 Å²	67	106.9 Å²	106.9	41%	0.406	58%	0.575	S	S	.	*	S	Bend	trans	-68.8	-6.6	176.2	179.1	0	0	0	0	112.2	L570	L570-V730 HydrophobicContact CD1-CG1 4.12Å
731	I	38.9	Very low	38	Very low	140 Å²	140	103.1 Å²	103.1	72%	0.718	56%	0.56	S	S	*	*	S	Bend	trans	-116.4	118.1	165.7	-58.2	172.2	0	0	0	106.2	G729	G729-I731 PolarHBondContact O-N 2.71Å; G729-I731 VanDerWaalsContact O-N 3.13Å
732	E	39.1	Very low	38.4	Very low	69 Å²	69	99.1 Å²	99.1	32%	0.322	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-70.3	134.2	170.5	-69.7	175.5	125.7	0	0	110.3	R492 V559 R563	R492-E732 IonicContact CZ-OE2 2.83Å; R492-E732 VanDerWaalsContact CZ-OE2 3.24Å; R492-E732 IonicContact NE-OE2 3.89Å; R492-E732 PolarHBondContact NE-OE2 2.87Å; R492-E732 VanDerWaalsContact NE-OE2 3.09Å; R492-E732 IonicContact NH2-OE2 3.74Å; R492-E732 PolarHBondContact NH2-OE2 3.19Å; V559-E732 WeakPolarHBondContact CG1-OE1 3.31Å; R563-E732 VanDerWaalsContact CD-OE1 3.3Å; R563-E732 WeakPolarHBondContact CD-OE1 3.46Å; R563-E732 WeakPolarHBondContact CD-OE2 3.34Å; R563-E732 IonicContact CZ-OE1 2.69Å; R563-E732 IonicContact CZ-OE2 2.68Å; R563-E732 IonicContact NE-OE1 3.95Å; R563-E732 IonicContact NE-OE2 2.72Å; R563-E732 VanDerWaalsContact NH1-CD 3.3Å; R563-E732 IonicContact NH1-OE1 3.24Å; R563-E732 PolarHBondContact NH1-OE1 2.94Å; R563-E732 IonicContact NH1-OE2 3.38Å; R563-E732 PolarHBondContact NH1-OE2 3.32Å
733	V	40.1	Very low	38.9	Very low	110 Å²	110	96.2 Å²	96.2	67%	0.667	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-98.5	124.7	151.8	179.6	0	0	0	0	105.2	A735 P739	V733-A735 PolarHBondContact O-N 3.14Å; V733-P739 HydrophobicContact CG1-CG 3.69Å
734	D	36.2	Very low	39.5	Very low	33 Å²	33	89.7 Å²	89.7	18%	0.176	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-55.3	128.6	-172.2	-65.9	-45.3	0	0	0	111.8	A736 V737 R742	D734-A736 VanDerWaalsContact C-N 3.28Å; D734-V737 VanDerWaalsContact O-O 3.11Å; D734-R742 IonicContact OD2-CZ 2.77Å; D734-R742 IonicContact OD2-NE 3.05Å; D734-R742 PolarHBondContact OD2-NE 3.48Å; D734-R742 IonicContact OD2-NH2 3.12Å; D734-R742 PolarHBondContact OD2-NH2 3.09Å
735	A	39.8	Very low	40.1	Very low	90 Å²	90	87.4 Å²	87.4	74%	0.744	49%	0.492	S	S	*	.	S	Bend	trans	-84.1	-5.4	171.4	0	0	0	0	0	112.8	V733	V733-A735 PolarHBondContact O-N 3.14Å
736	A	44	Very low	40.6	Very low	73 Å²	73	89.6 Å²	89.6	60%	0.603	49%	0.491	S	S	*	.	S	Bend	trans	-93.1	-25.9	177.3	0	0	0	0	0	113.1	D734	D734-A736 VanDerWaalsContact C-N 3.28Å
737	V	42.8	Very low	41	Very low	54 Å²	54	87.6 Å²	87.6	33%	0.327	48%	0.481	S	S	.	.	S	Bend	trans	-142.4	110.7	-177.5	-179.4	0	0	0	0	106.9	D734 E741 R742	D734-V737 VanDerWaalsContact O-O 3.11Å; V737-E741 HydrophobicContact CG1-CB 3.55Å; V737-R742 HydrophobicContact CG1-CB 3.9Å; V737-R742 HydrophobicContact CG1-CG 4.34Å; V737-R742 VanDerWaalsContact CG1-N 3.34Å
738	T	44	Very low	41.9	Very low	61 Å²	61	85.4 Å²	85.4	37%	0.374	47%	0.471	S	S	.	.			trans	-59.2	159.2	178.3	58	0	0	0	0	111.3	E740 E741 R742	T738-E740 PolarHBondContact O-N 3.28Å; T738-E740 VanDerWaalsContact O-N 3.11Å; T738-E741 VanDerWaalsContact CB-OE2 3.3Å; T738-E741 WeakPolarHBondContact CB-OE2 3.39Å; T738-E741 WeakPolarHBondContact CG2-OE2 3.49Å; T738-E741 PolarHBondContact N-OE2 2.92Å; T738-E741 PolarHBondContact O-N 3.41Å; T738-E741 VanDerWaalsContact OG1-CD 3.29Å; T738-E741 VanDerWaalsContact OG1-CG 3.32Å; T738-E741 WeakPolarHBondContact OG1-CG 3.43Å; T738-E741 PolarHBondContact OG1-N 2.96Å; T738-E741 PolarHBondContact OG1-OE2 3.17Å; T738-R742 PolarHBondContact O-N 3.04Å
739	P	44.5	Very low	42.2	Very low	88 Å²	88	86.3 Å²	86.3	57%	0.571	48%	0.475	S	S	*	.	H	α-helix	trans	-51.8	-34.6	172.4	-28.3	36.1	0	0	0	112.9	V733 H743	V733-P739 HydrophobicContact CG1-CG 3.69Å; P739-H743 VanDerWaalsContact O-CB 3.25Å; P739-H743 WeakPolarHBondContact O-CB 3.5Å; P739-H743 PolarHBondContact O-N 3.02Å
740	E	42.5	Very low	42.6	Very low	151 Å²	151	91.3 Å²	91.3	71%	0.706	49%	0.493	S	S	*	.	H	α-helix	trans	-65.3	-46.6	175.1	-61.6	176.3	-175.2	0	0	111.9	T738 H743 L744	T738-E740 PolarHBondContact O-N 3.28Å; T738-E740 VanDerWaalsContact O-N 3.11Å; E740-H743 PolarHBondContact O-N 3.39Å; E740-L744 WeakPolarHBondContact O-CB 3.43Å; E740-L744 VanDerWaalsContact O-CG 3.28Å; E740-L744 WeakPolarHBondContact O-CG 3.39Å; E740-L744 PolarHBondContact O-N 2.94Å
741	E	45.2	Very low	42.5	Very low	100 Å²	100	91.3 Å²	91.3	47%	0.467	51%	0.507	S	S	.	.	H	α-helix	trans	-69.5	-36.4	177.9	-69.4	159.3	132	0	0	112.6	V737 T738 H743 L744 S745	V737-E741 HydrophobicContact CG1-CB 3.55Å; T738-E741 VanDerWaalsContact CB-OE2 3.3Å; T738-E741 WeakPolarHBondContact CB-OE2 3.39Å; T738-E741 WeakPolarHBondContact CG2-OE2 3.49Å; T738-E741 PolarHBondContact N-OE2 2.92Å; T738-E741 PolarHBondContact O-N 3.41Å; T738-E741 VanDerWaalsContact OG1-CD 3.29Å; T738-E741 VanDerWaalsContact OG1-CG 3.32Å; T738-E741 WeakPolarHBondContact OG1-CG 3.43Å; T738-E741 PolarHBondContact OG1-N 2.96Å; T738-E741 PolarHBondContact OG1-OE2 3.17Å; E741-H743 VanDerWaalsContact C-N 3.28Å; E741-H743 PolarHBondContact O-N 2.98Å; E741-L744 PolarHBondContact O-N 2.76Å; E741-S745 PolarHBondContact O-N 3.01Å
742	R	48.1	Very low	42.6	Very low	91 Å²	91	88.7 Å²	88.7	34%	0.343	49%	0.489	S	S	.	.	H	α-helix	trans	-67.5	-32.2	174.9	-145.4	-172.9	-138.3	-108.3	8.1	110.7	D490 D734 V737 T738	D490-R742 IonicContact OD1-NH1 2.74Å; D734-R742 IonicContact OD2-CZ 2.77Å; D734-R742 IonicContact OD2-NE 3.05Å; D734-R742 PolarHBondContact OD2-NE 3.48Å; D734-R742 IonicContact OD2-NH2 3.12Å; D734-R742 PolarHBondContact OD2-NH2 3.09Å; V737-R742 HydrophobicContact CG1-CB 3.9Å; V737-R742 HydrophobicContact CG1-CG 4.34Å; V737-R742 VanDerWaalsContact CG1-N 3.34Å; T738-R742 PolarHBondContact O-N 3.04Å
743	H	45.3	Very low	42.7	Very low	95 Å²	95	91.5 Å²	91.5	44%	0.44	50%	0.502	S	S	.	.	H	α-helix	trans	-74.5	-43.9	172.7	-157.3	176.7	0	0	0	111.3	P739 E740 E741 S745 K746 M747	P739-H743 VanDerWaalsContact O-CB 3.25Å; P739-H743 WeakPolarHBondContact O-CB 3.5Å; P739-H743 PolarHBondContact O-N 3.02Å; E740-H743 PolarHBondContact O-N 3.39Å; E741-H743 VanDerWaalsContact C-N 3.28Å; E741-H743 PolarHBondContact O-N 2.98Å; H743-S745 PolarHBondContact O-N 3.39Å; H743-K746 CarbonylContact O-C 3.6Å; H743-K746 PolarHBondContact O-N 2.9Å; H743-M747 WeakPolarHBondContact O-CB 3.22Å; H743-M747 VanDerWaalsContact O-CG 3.29Å; H743-M747 WeakPolarHBondContact O-CG 3.2Å; H743-M747 PolarHBondContact O-N 3.29Å
744	L	45.8	Very low	42.5	Very low	54 Å²	54	88.1 Å²	88.1	28%	0.283	48%	0.48	S	S	.	.	H	α-helix	trans	-58	-42.7	176.4	-80.4	164.9	0	0	0	112.4	E740 E741 M747 Q748 Y752	E740-L744 WeakPolarHBondContact O-CB 3.43Å; E740-L744 VanDerWaalsContact O-CG 3.28Å; E740-L744 WeakPolarHBondContact O-CG 3.39Å; E740-L744 PolarHBondContact O-N 2.94Å; E741-L744 PolarHBondContact O-N 2.76Å; L744-M747 WeakPolarHBondContact O-CB 3.24Å; L744-M747 PolarHBondContact O-N 3.32Å; L744-Q748 WeakPolarHBondContact O-CB 3.49Å; L744-Q748 VanDerWaalsContact O-CG 3.31Å; L744-Q748 WeakPolarHBondContact O-CG 3.33Å; L744-Q748 PolarHBondContact O-N 2.82Å; L744-Y752 HydrophobicContact CD2-CE1 4.43Å
745	S	44.1	Very low	42.9	Very low	65 Å²	65	90.1 Å²	90.1	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-61.6	-45.9	176.3	179.5	0	0	0	0	112.1	E741 H743 M747 Q748 Q749	E741-S745 PolarHBondContact O-N 3.01Å; H743-S745 PolarHBondContact O-N 3.39Å; S745-M747 VanDerWaalsContact C-N 3.33Å; S745-M747 PolarHBondContact O-N 3.48Å; S745-Q748 PolarHBondContact O-N 3.49Å; S745-Q749 PolarHBondContact O-N 2.91Å
746	K	44.8	Very low	42.6	Very low	129 Å²	129	89.6 Å²	89.6	56%	0.561	48%	0.483	S	S	*	.	H	α-helix	trans	-68.6	-28.7	174.3	-71.9	-165.9	172.3	-165.3	0	113.6	H743 N750	H743-K746 CarbonylContact O-C 3.6Å; H743-K746 PolarHBondContact O-N 2.9Å; K746-N750 PolarHBondContact O-N 3.3Å; K746-N750 PolarHBondContact O-ND2 3.15Å
747	M	43.6	Very low	42.3	Very low	36 Å²	36	94 Å²	94	18%	0.177	49%	0.485	C	S	.	.	H	α-helix	trans	-69.9	-43.1	172.4	-79.8	178.5	160.5	0	0	111	H743 L744 S745 N750 G751 Y752	H743-M747 WeakPolarHBondContact O-CB 3.22Å; H743-M747 VanDerWaalsContact O-CG 3.29Å; H743-M747 WeakPolarHBondContact O-CG 3.2Å; H743-M747 PolarHBondContact O-N 3.29Å; L744-M747 WeakPolarHBondContact O-CB 3.24Å; L744-M747 PolarHBondContact O-N 3.32Å; S745-M747 VanDerWaalsContact C-N 3.33Å; S745-M747 PolarHBondContact O-N 3.48Å; M747-N750 CarbonylContact O-C 3.42Å; M747-N750 WeakPolarHBondContact O-CA 3.45Å; M747-N750 PolarHBondContact O-N 2.94Å; M747-G751 PolarHBondContact O-N 3.04Å; M747-Y752 HydrophobicContact CB-CD1 3.83Å; M747-Y752 HydrophobicContact CB-CG 4Å; M747-Y752 HydrophobicContact CG-CD1 4.43Å; M747-Y752 WeakPolarHBondContact O-CB 3.34Å; M747-Y752 PolarHBondContact O-N 3.06Å; M747-Y752 HydrophobicContact SD-CD1 4.05Å; M747-Y752 HydrophobicContact SD-CE1 4.06Å; M747-Y752 HydrophobicContact SD-CG 4.49Å
748	Q	47.4	Very low	42	Very low	124 Å²	124	95.6 Å²	95.6	58%	0.579	49%	0.487	S	S	*	.	H	α-helix	trans	-63.1	-43.3	177	-76.3	172.1	-29.8	0	0	112.1	L744 S745 N750 G751	L744-Q748 WeakPolarHBondContact O-CB 3.49Å; L744-Q748 VanDerWaalsContact O-CG 3.31Å; L744-Q748 WeakPolarHBondContact O-CG 3.33Å; L744-Q748 PolarHBondContact O-N 2.82Å; S745-Q748 PolarHBondContact O-N 3.49Å; Q748-N750 PolarHBondContact O-N 3.16Å; Q748-N750 VanDerWaalsContact O-N 3.17Å; Q748-G751 PolarHBondContact O-N 3.39Å
749	Q	41.6	Very low	41.8	Very low	144 Å²	144	98.9 Å²	98.9	67%	0.673	50%	0.497	S	S	*	.	H	α-helix	trans	-58	-25.9	171.4	-86.5	-174.6	-34.1	0	0	113.6	S745	S745-Q749 PolarHBondContact O-N 2.91Å
750	N	38.3	Very low	41.2	Very low	143 Å²	143	100.9 Å²	100.9	77%	0.765	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	17.7	178	-69	-27.9	0	0	0	113.4	K746 M747 Q748	K746-N750 PolarHBondContact O-N 3.3Å; K746-N750 PolarHBondContact O-ND2 3.15Å; M747-N750 CarbonylContact O-C 3.42Å; M747-N750 WeakPolarHBondContact O-CA 3.45Å; M747-N750 PolarHBondContact O-N 2.94Å; Q748-N750 PolarHBondContact O-N 3.16Å; Q748-N750 VanDerWaalsContact O-N 3.17Å
751	G	36.9	Very low	41.2	Very low	68 Å²	68	99.5 Å²	99.5	70%	0.701	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	16.6	172.8	0	0	0	0	0	116.1	M747 Q748 E753	M747-G751 PolarHBondContact O-N 3.04Å; Q748-G751 PolarHBondContact O-N 3.39Å; G751-E753 PolarHBondContact O-N 3.32Å
752	Y	40.2	Very low	41	Very low	84 Å²	84	101.5 Å²	101.5	33%	0.329	50%	0.5	S	S	.	.			trans	-83.3	104.2	176.6	-176.4	-101.8	0	0	0	112	L744 M747	L744-Y752 HydrophobicContact CD2-CE1 4.43Å; M747-Y752 HydrophobicContact CB-CD1 3.83Å; M747-Y752 HydrophobicContact CB-CG 4Å; M747-Y752 HydrophobicContact CG-CD1 4.43Å; M747-Y752 WeakPolarHBondContact O-CB 3.34Å; M747-Y752 PolarHBondContact O-N 3.06Å; M747-Y752 HydrophobicContact SD-CD1 4.05Å; M747-Y752 HydrophobicContact SD-CE1 4.06Å; M747-Y752 HydrophobicContact SD-CG 4.49Å
753	E	40.9	Very low	40.6	Very low	128 Å²	128	103.7 Å²	103.7	60%	0.598	52%	0.515	S	S	*	.			trans	-70.1	127.9	162.7	-68.8	-175.8	132	0	0	110.5	G751 P755 K758	G751-E753 PolarHBondContact O-N 3.32Å; E753-P755 VanDerWaalsContact O-CD 3.25Å; E753-P755 WeakPolarHBondContact O-CD 3.25Å; E753-K758 IonicContact OE1-NZ 3.48Å; E753-K758 PolarHBondContact OE1-NZ 3.09Å; E753-K758 WeakPolarHBondContact OE2-CE 3.24Å; E753-K758 IonicContact OE2-NZ 3.41Å; E753-K758 PolarHBondContact OE2-NZ 3.29Å
754	N	36.3	Very low	40.3	Very low	39 Å²	39	107.4 Å²	107.4	21%	0.209	53%	0.533	C	S	.	.			trans	-70.6	116	172.5	-179.1	-22.6	0	0	0	110.2	T756 Y757	N754-T756 PolarHBondContact O-N 3.19Å; N754-T756 WeakPolarHBondContact OD1-CB 3.38Å; N754-T756 PolarHBondContact OD1-N 3.11Å; N754-T756 PolarHBondContact OD1-OG1 3.41Å; N754-Y757 HydrophobicContact CB-CD2 4.11Å; N754-Y757 PolarHBondContact O-N 3.05Å; N754-Y757 VanDerWaalsContact O-N 3.11Å
755	P	44.3	Very low	39.7	Very low	76 Å²	76	114.7 Å²	114.7	49%	0.494	57%	0.572	S	S	.	*	H	α-helix	trans	-59.1	-24.6	-175.2	-25.4	35.6	0	0	0	114.3	E753 Y757 K758 F759	E753-P755 VanDerWaalsContact O-CD 3.25Å; E753-P755 WeakPolarHBondContact O-CD 3.25Å; P755-Y757 VanDerWaalsContact C-N 3.33Å; P755-Y757 PolarHBondContact O-N 2.81Å; P755-K758 PolarHBondContact O-N 2.8Å; P755-F759 PolarHBondContact O-N 3.02Å; P755-F759 VanDerWaalsContact O-N 3.09Å
756	T	34.4	Very low	39.4	Very low	78 Å²	78	117.2 Å²	117.2	48%	0.479	58%	0.578	S	S	.	*	H	α-helix	trans	-60.6	-40.5	178.8	-44.9	0	0	0	0	112	N754 F759 F760	N754-T756 PolarHBondContact O-N 3.19Å; N754-T756 WeakPolarHBondContact OD1-CB 3.38Å; N754-T756 PolarHBondContact OD1-N 3.11Å; N754-T756 PolarHBondContact OD1-OG1 3.41Å; T756-F759 PolarHBondContact O-N 3.23Å; T756-F760 HydrophobicContact CG2-CD2 4.32Å; T756-F760 HydrophobicContact CG2-CE2 3.93Å; T756-F760 WeakPolarHBondContact O-CD2 3.42Å; T756-F760 PolarHBondContact O-N 3.04Å
757	Y	36.8	Very low	39.2	Very low	166 Å²	166	116.5 Å²	116.5	65%	0.651	58%	0.579	S	S	*	*	H	α-helix	trans	-71	-43.6	179.5	-79.7	-96.9	0	0	0	111.1	N754 P755 F759 F760 E761	N754-Y757 HydrophobicContact CB-CD2 4.11Å; N754-Y757 PolarHBondContact O-N 3.05Å; N754-Y757 VanDerWaalsContact O-N 3.11Å; P755-Y757 VanDerWaalsContact C-N 3.33Å; P755-Y757 PolarHBondContact O-N 2.81Å; Y757-F759 PolarHBondContact O-N 3.12Å; Y757-F760 PolarHBondContact O-N 2.97Å; Y757-E761 PolarHBondContact O-N 3.16Å
758	K	37.3	Very low	38.9	Very low	87 Å²	87	121 Å²	121	38%	0.378	60%	0.601	S	S	.	*	H	α-helix	trans	-57.5	-34.3	176.1	-142.8	174.9	-163.7	75	0	112.3	E753 P755 Q762	E753-K758 IonicContact OE1-NZ 3.48Å; E753-K758 PolarHBondContact OE1-NZ 3.09Å; E753-K758 WeakPolarHBondContact OE2-CE 3.24Å; E753-K758 IonicContact OE2-NZ 3.41Å; E753-K758 PolarHBondContact OE2-NZ 3.29Å; P755-K758 PolarHBondContact O-N 2.8Å; K758-Q762 WeakPolarHBondContact O-CB 3.36Å; K758-Q762 WeakPolarHBondContact O-CG 3.42Å; K758-Q762 PolarHBondContact O-N 3.1Å; K758-Q762 VanDerWaalsContact O-N 3.09Å
759	F	38.5	Very low	38.4	Very low	130 Å²	130	120.8 Å²	120.8	57%	0.57	60%	0.602	S	S	*	*	H	α-helix	trans	-69	-34	174.1	-171.8	-93.4	0	0	0	113.3	P755 T756 Y757 M763	P755-F759 PolarHBondContact O-N 3.02Å; P755-F759 VanDerWaalsContact O-N 3.09Å; T756-F759 PolarHBondContact O-N 3.23Å; Y757-F759 PolarHBondContact O-N 3.12Å; F759-M763 VanDerWaalsContact O-CG 3.24Å; F759-M763 WeakPolarHBondContact O-CG 3.27Å
760	F	33.9	Very low	38.2	Very low	130 Å²	130	119.4 Å²	119.4	57%	0.57	60%	0.598	S	S	*	*	H	α-helix	trans	-78.2	-35.3	175.5	-74.3	-62.6	0	0	0	112.9	T756 Y757 M763 Q764	T756-F760 HydrophobicContact CG2-CD2 4.32Å; T756-F760 HydrophobicContact CG2-CE2 3.93Å; T756-F760 WeakPolarHBondContact O-CD2 3.42Å; T756-F760 PolarHBondContact O-N 3.04Å; Y757-F760 PolarHBondContact O-N 2.97Å; F760-M763 PolarHBondContact O-N 2.67Å; F760-M763 VanDerWaalsContact O-N 3.11Å; F760-Q764 PolarHBondContact O-N 2.81Å
761	E	40.6	Very low	38.2	Very low	122 Å²	122	117.8 Å²	117.8	57%	0.57	59%	0.587	S	S	*	*	H	α-helix	trans	-64.9	-39.9	172.9	-67.9	179.9	142.4	0	0	112.1	Y757 M763 Q764	Y757-E761 PolarHBondContact O-N 3.16Å; E761-M763 PolarHBondContact O-N 3.23Å; E761-M763 VanDerWaalsContact O-N 3.13Å; E761-Q764 PolarHBondContact O-N 2.61Å; E761-Q764 VanDerWaalsContact O-N 3.17Å
762	Q	41.9	Very low	38.3	Very low	143 Å²	143	121.4 Å²	121.4	67%	0.668	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-3.4	172.2	-75.2	-174.6	-2.2	0	0	114.3	K758	K758-Q762 WeakPolarHBondContact O-CB 3.36Å; K758-Q762 WeakPolarHBondContact O-CG 3.42Å; K758-Q762 PolarHBondContact O-N 3.1Å; K758-Q762 VanDerWaalsContact O-N 3.09Å
763	M	39.2	Very low	38.2	Very low	137 Å²	137	124.2 Å²	124.2	68%	0.675	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	3	175.6	-71.3	-87.8	-74.2	0	0	112.9	F759 F760 E761	F759-M763 VanDerWaalsContact O-CG 3.24Å; F759-M763 WeakPolarHBondContact O-CG 3.27Å; F760-M763 PolarHBondContact O-N 2.67Å; F760-M763 VanDerWaalsContact O-N 3.11Å; E761-M763 PolarHBondContact O-N 3.23Å; E761-M763 VanDerWaalsContact O-N 3.13Å
764	Q	38.9	Very low	37.9	Very low	173 Å²	173	123.9 Å²	123.9	81%	0.808	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	-0.8	175.6	-68.3	-168.3	-7.7	0	0	114.3	F760 E761	F760-Q764 PolarHBondContact O-N 2.81Å; E761-Q764 PolarHBondContact O-N 2.61Å; E761-Q764 VanDerWaalsContact O-N 3.17Å
765	N	33	Very low	38.1	Very low	206 Å²	206	131.6 Å²	131.6	100%	1.102	63%	0.633	S	S	*	*			trans	-111.1	0	165.5	-70.2	-74.8	0	0	0	111.2

Retrieved 765 of 765 residues in 142.2 ms (Link to these results)

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