A0A096N7G0_PAPAN Loading...

Zinc finger protein 81

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096N7G0, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF81, Length 661 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	37.7	Very low	35.2	Very low	242 Å²	242	139.7 Å²	139.7	100%	1.192	84%	0.838	S	S	*	*				0	126.5	0	-72.7	173	160.3	0	0	108.3
2	P	44.9	Very low	34.7	Very low	133 Å²	133	144.1 Å²	144.1	86%	0.864	84%	0.843	S	S	*	*			trans	-98.9	151.5	156.7	35.9	-28.1	0	0	0	110.7
3	A	35.7	Very low	34.7	Very low	95 Å²	95	148 Å²	148	79%	0.785	85%	0.848	S	S	*	*			trans	-144.7	157.5	162.9	0	0	0	0	0	107.7
4	N	36.1	Very low	34.3	Very low	142 Å²	142	142.6 Å²	142.6	76%	0.759	84%	0.841	S	S	*	*			trans	-70.1	173.3	-167.9	-46.8	-14.8	0	0	0	111.4
5	E	35.7	Very low	34.2	Very low	188 Å²	188	140.8 Å²	140.8	88%	0.879	84%	0.839	S	S	*	*				-142.5	123	61.1	-76.8	175.5	166.3	0	0	114.5
6	D	33.5	Very low	34.1	Very low	139 Å²	139	137.1 Å²	137.1	74%	0.743	83%	0.828	S	S	*	*			trans	42.8	112.7	132.1	-54.7	-9.1	0	0	0	121.1
7	A	33.7	Very low	33.8	Very low	90 Å²	90	135.8 Å²	135.8	74%	0.744	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-93.2	143.7	156.1	0	0	0	0	0	110.3	Q9	A7-Q9 PolarHBondContact O-N 2.93Å
8	P	31.6	Very low	33.8	Very low	131 Å²	131	137.7 Å²	137.7	85%	0.851	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-69.8	124.1	178.1	28	-33.6	0	0	0	111.3
9	Q	34.8	Very low	34	Very low	182 Å²	182	136.5 Å²	136.5	85%	0.85	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-70.2	156.9	171.4	-84.8	-165	-37.8	0	0	112.1	A7 G11	A7-Q9 PolarHBondContact O-N 2.93Å; Q9-G11 PolarHBondContact O-N 3.45Å
10	P	33.2	Very low	34.4	Very low	119 Å²	119	134.5 Å²	134.5	77%	0.773	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-64.9	130.2	174.7	27.9	-34.5	0	0	0	110.7
11	G	30.1	Very low	35.2	Very low	76 Å²	76	131.2 Å²	131.2	78%	0.784	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-59.6	145.2	174.9	0	0	0	0	0	111.9	Q9	Q9-G11 PolarHBondContact O-N 3.45Å
12	E	29.8	Very low	36.2	Very low	192 Å²	192	121.7 Å²	121.7	90%	0.897	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-60.5	155.4	-171.1	-62.1	169.1	121.9	0	0	113	G14	E12-G14 VanDerWaalsContact C-N 3.3Å; E12-G14 PolarHBondContact O-N 3.32Å
13	H	34.9	Very low	36.9	Very low	195 Å²	195	115.8 Å²	115.8	90%	0.903	71%	0.708	S	S	*	*			trans	-65	92.8	166.7	-84.2	-95	0	0	0	109.4	S15	H13-S15 PolarHBondContact O-N 3.1Å
14	G	28.9	Very low	38.1	Very low	73 Å²	73	118 Å²	118	75%	0.753	70%	0.702	S	S	*	*			trans	-56.6	104.6	162.7	0	0	0	0	0	108.3	E12 A16	E12-G14 VanDerWaalsContact C-N 3.3Å; E12-G14 PolarHBondContact O-N 3.32Å; G14-A16 PolarHBondContact O-N 3.45Å
15	S	33.3	Very low	39.3	Very low	115 Å²	115	116.3 Å²	116.3	80%	0.804	69%	0.693	S	S	*	*			trans	-55.1	123	-177.7	-169.9	0	0	0	0	109	H13 C17	H13-S15 PolarHBondContact O-N 3.1Å; S15-C17 PolarHBondContact O-N 3.19Å; S15-C17 VanDerWaalsContact O-N 3.11Å
16	A	31.1	Very low	40.4	Very low	81 Å²	81	109.8 Å²	109.8	67%	0.669	67%	0.666	S	S	*	*			trans	-62.9	117.8	171.6	0	0	0	0	0	106.9	G14 E18	G14-A16 PolarHBondContact O-N 3.45Å; A16-E18 PolarHBondContact O-N 3.36Å
17	C	29.4	Very low	41.7	Very low	115 Å²	115	104.2 Å²	104.2	78%	0.777	64%	0.637	S	S	*	*			trans	-72.2	84.3	171.9	-168.2	0	0	0	0	107.7	S15 V19	S15-C17 PolarHBondContact O-N 3.19Å; S15-C17 VanDerWaalsContact O-N 3.11Å; C17-V19 VanDerWaalsContact C-N 3.27Å; C17-V19 PolarHBondContact O-N 3.01Å
18	E	34.4	Very low	43.1	Very low	170 Å²	170	104 Å²	104	79%	0.794	63%	0.626	S	S	*	*			trans	-61.2	95.1	163.1	-71.6	-170.5	130.7	0	0	107.4	A16 S20	A16-E18 PolarHBondContact O-N 3.36Å; E18-S20 PolarHBondContact O-N 3.34Å
19	V	37.3	Very low	44.7	Very low	116 Å²	116	102.8 Å²	102.8	70%	0.703	61%	0.612	S	S	*	*			trans	-72.8	79.6	163	-176.1	0	0	0	0	106.2	C17 V21	C17-V19 VanDerWaalsContact C-N 3.27Å; C17-V19 PolarHBondContact O-N 3.01Å; V19-V21 VanDerWaalsContact C-N 3.31Å; V19-V21 HydrophobicContact CG1-CG2 4.42Å; V19-V21 PolarHBondContact O-N 3.35Å
20	S	42.7	Very low	46	Very low	96 Å²	96	96.8 Å²	96.8	67%	0.671	58%	0.584	S	S	*	*			trans	-68.5	88.7	175.2	56.9	0	0	0	0	108.9	E18 S22	E18-S20 PolarHBondContact O-N 3.34Å; S20-S22 PolarHBondContact O-N 3.07Å; S20-S22 VanDerWaalsContact O-N 3.1Å
21	V	49.8	Very low	47.4	Very low	66 Å²	66	93.4 Å²	93.4	40%	0.4	56%	0.563	S	S	.	*			trans	-62	112	176	-178	0	0	0	0	108.3	V19 D25 V26	V19-V21 VanDerWaalsContact C-N 3.31Å; V19-V21 HydrophobicContact CG1-CG2 4.42Å; V19-V21 PolarHBondContact O-N 3.35Å; V21-D25 VanDerWaalsContact CA-OD2 3.31Å; V21-D25 WeakPolarHBondContact CA-OD2 3.18Å; V21-D25 HydrophobicContact CG1-CB 3.73Å; V21-V26 HydrophobicContact CG1-CG1 4.45Å
22	S	58.6	Low	48.7	Very low	41 Å²	41	96.4 Å²	96.4	29%	0.287	55%	0.551	S	S	.	*			trans	-83.5	-173.9	-179.5	80.5	0	0	0	0	111.2	S20 E24 D25	S20-S22 PolarHBondContact O-N 3.07Å; S20-S22 VanDerWaalsContact O-N 3.1Å; S22-E24 WeakPolarHBondContact CB-OE2 3.47Å; S22-E24 PolarHBondContact OG-N 3.44Å; S22-E24 VanDerWaalsContact OG-N 3.13Å; S22-E24 PolarHBondContact OG-OE2 3.01Å; S22-D25 PolarHBondContact N-OD2 2.96Å; S22-D25 PolarHBondContact OG-N 2.97Å
23	F	59.7	Low	50	Low	9 Å²	9	92.6 Å²	92.6	4%	0.039	53%	0.533	C	S	.	.	S	Bend	trans	-73.9	-34.8	169.4	-171	-105.4	0	0	0	111.3	D25 V26 T27 Y54 L57 V64 P67 I70	F23-D25 VanDerWaalsContact C-N 3.26Å; F23-D25 PolarHBondContact O-N 2.77Å; F23-V26 HydrophobicContact CD2-CG2 4.44Å; F23-V26 CarbonylContact O-C 3.54Å; F23-V26 WeakPolarHBondContact O-CG2 3.23Å; F23-V26 PolarHBondContact O-N 3.09Å; F23-T27 HydrophobicContact CD1-CG2 3.48Å; F23-T27 VanDerWaalsContact CD1-CG2 3.48Å; F23-T27 HydrophobicContact CE1-CG2 3.19Å; F23-T27 HydrophobicContact CG-CG2 4.42Å; F23-T27 HydrophobicContact CZ-CG2 3.93Å; F23-T27 PolarHBondContact O-N 3.16Å; F23-T27 VanDerWaalsContact O-N 3.09Å; F23-Y54 HydrophobicContact CD2-CD2 4.42Å; F23-Y54 HydrophobicContact CE2-CD2 4.38Å; F23-L57 HydrophobicContact CD2-CD1 3.78Å; F23-V64 HydrophobicContact CB-CG1 4.26Å; F23-P67 HydrophobicContact CB-CG 4.03Å; F23-P67 HydrophobicContact CD1-CB 3.57Å; F23-P67 HydrophobicContact CD1-CG 3.32Å; F23-P67 HydrophobicContact CD2-CG 4.06Å; F23-P67 HydrophobicContact CE1-CB 3.76Å; F23-P67 HydrophobicContact CE1-CG 3.72Å; F23-P67 HydrophobicContact CE2-CG 4.43Å; F23-P67 HydrophobicContact CG-CB 4.28Å; F23-P67 HydrophobicContact CG-CG 3.51Å; F23-P67 HydrophobicContact CZ-CG 4.29Å; F23-I70 HydrophobicContact CE1-CD1 4.43Å; F23-I70 HydrophobicContact CE1-CG1 3.98Å; F23-I70 HydrophobicContact CE2-CD1 4.32Å; F23-I70 HydrophobicContact CE2-CG1 4.24Å; F23-I70 HydrophobicContact CZ-CD1 3.67Å; F23-I70 HydrophobicContact CZ-CG1 3.59Å
24	E	60.9	Low	51.2	Low	142 Å²	142	87.9 Å²	87.9	66%	0.664	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-62.4	-29.2	177.2	-57.7	82.8	-172.6	0	0	113	S22 V26 T27	S22-E24 WeakPolarHBondContact CB-OE2 3.47Å; S22-E24 PolarHBondContact OG-N 3.44Å; S22-E24 VanDerWaalsContact OG-N 3.13Å; S22-E24 PolarHBondContact OG-OE2 3.01Å; E24-V26 PolarHBondContact O-N 2.85Å; E24-T27 PolarHBondContact O-OG1 2.91Å
25	D	61.8	Low	53.1	Low	107 Å²	107	85.5 Å²	85.5	57%	0.572	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-66.9	-11.5	174.2	-72.7	-47.8	0	0	0	114	V21 S22 F23	V21-D25 VanDerWaalsContact CA-OD2 3.31Å; V21-D25 WeakPolarHBondContact CA-OD2 3.18Å; V21-D25 HydrophobicContact CG1-CB 3.73Å; S22-D25 PolarHBondContact N-OD2 2.96Å; S22-D25 PolarHBondContact OG-N 2.97Å; F23-D25 VanDerWaalsContact C-N 3.26Å; F23-D25 PolarHBondContact O-N 2.77Å
26	V	59.5	Low	54.6	Low	51 Å²	51	85.7 Å²	85.7	31%	0.309	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-132	8.9	-178.9	-67.2	0	0	0	0	114.1	V21 F23 E24 N53 L57	V21-V26 HydrophobicContact CG1-CG1 4.45Å; F23-V26 HydrophobicContact CD2-CG2 4.44Å; F23-V26 CarbonylContact O-C 3.54Å; F23-V26 WeakPolarHBondContact O-CG2 3.23Å; F23-V26 PolarHBondContact O-N 3.09Å; E24-V26 PolarHBondContact O-N 2.85Å; V26-N53 PolarHBondContact O-ND2 3.29Å; V26-L57 HydrophobicContact CG2-CD1 4.09Å
27	T	59.6	Low	56.1	Low	22 Å²	22	89.2 Å²	89.2	14%	0.135	47%	0.471	C	S	.	.			trans	-76.8	163.5	163.7	50.2	0	0	0	0	111.5	F23 E24 D29	F23-T27 HydrophobicContact CD1-CG2 3.48Å; F23-T27 VanDerWaalsContact CD1-CG2 3.48Å; F23-T27 HydrophobicContact CE1-CG2 3.19Å; F23-T27 HydrophobicContact CG-CG2 4.42Å; F23-T27 HydrophobicContact CZ-CG2 3.93Å; F23-T27 PolarHBondContact O-N 3.16Å; F23-T27 VanDerWaalsContact O-N 3.09Å; E24-T27 PolarHBondContact O-OG1 2.91Å; T27-D29 PolarHBondContact OG1-OD2 2.87Å
28	V	63.8	Low	57.5	Low	84 Å²	84	85.2 Å²	85.2	51%	0.509	44%	0.441	S	S	.	.			trans	-133.3	97.1	164.7	176.8	0	0	0	0	105	F30 Y46 M50	V28-F30 HydrophobicContact CG1-CE2 4.35Å; V28-F30 HydrophobicContact CG1-CZ 4.43Å; V28-Y46 HydrophobicContact CB-CE2 4.33Å; V28-Y46 WeakPolarHBondContact O-CE2 3.38Å; V28-Y46 PolarHBondContact O-OH 3.39Å; V28-M50 HydrophobicContact CB-CE 3.97Å; V28-M50 HydrophobicContact CG2-CE 4.1Å
29	D	64.1	Low	58.7	Low	106 Å²	106	80.4 Å²	80.4	57%	0.567	42%	0.421	S	S	*	.			trans	-81.2	141.3	-174.6	-60.9	-66.3	0	0	0	110.7	T27	T27-D29 PolarHBondContact OG1-OD2 2.87Å
30	F	64	Low	59.3	Low	56 Å²	56	79.3 Å²	79.3	25%	0.246	42%	0.418	C	S	.	.			trans	-117.8	135.6	-178.8	-77.7	-75.6	0	0	0	110.1	V28 E34 W35 L38 Y46	V28-F30 HydrophobicContact CG1-CE2 4.35Å; V28-F30 HydrophobicContact CG1-CZ 4.43Å; F30-E34 HydrophobicContact CD1-CB 3.9Å; F30-W35 HydrophobicContact CB-CB 4.32Å; F30-W35 HydrophobicContact CB-CE3 4.17Å; F30-W35 AromaticContact CD2-CE3 3.89Å; F30-W35 HydrophobicContact CD2-CE3 3.89Å; F30-W35 HydrophobicContact CD2-CZ3 4.11Å; F30-W35 HydrophobicContact CG-CE3 4.21Å; F30-L38 HydrophobicContact CD1-CD1 4.4Å; F30-L38 HydrophobicContact CD2-CD1 4.26Å; F30-L38 HydrophobicContact CE1-CD1 4.14Å; F30-L38 HydrophobicContact CE1-CD2 4.35Å; F30-L38 HydrophobicContact CE2-CD1 3.99Å; F30-L38 HydrophobicContact CG-CD1 4.45Å; F30-L38 HydrophobicContact CZ-CD1 3.92Å; F30-L38 HydrophobicContact CZ-CD2 4.43Å; F30-Y46 HydrophobicContact CD2-CD2 4.18Å; F30-Y46 AromaticContact CD2-CE2 3.82Å; F30-Y46 HydrophobicContact CD2-CE2 3.82Å; F30-Y46 AromaticContact CE2-CD2 3.61Å; F30-Y46 HydrophobicContact CE2-CD2 3.61Å; F30-Y46 AromaticContact CE2-CE2 3.6Å; F30-Y46 HydrophobicContact CE2-CE2 3.6Å; F30-Y46 HydrophobicContact CE2-CG 4.37Å
31	S	62.7	Low	59.8	Low	49 Å²	49	79.3 Å²	79.3	34%	0.343	41%	0.414	S	S	.	.			trans	-62.4	160.2	164	65.9	0	0	0	0	110.9	E33 E34 W35	S31-E33 PolarHBondContact O-N 3.49Å; S31-E34 VanDerWaalsContact CB-OE2 3.26Å; S31-E34 WeakPolarHBondContact CB-OE2 3.35Å; S31-E34 PolarHBondContact N-OE2 3.36Å; S31-E34 PolarHBondContact O-N 2.84Å; S31-E34 WeakPolarHBondContact OG-CB 3.33Å; S31-E34 WeakPolarHBondContact OG-CG 3.37Å; S31-E34 PolarHBondContact OG-N 3.2Å; S31-E34 PolarHBondContact OG-OE2 3.33Å; S31-W35 WeakPolarHBondContact O-CB 3.36Å; S31-W35 PolarHBondContact O-N 3.25Å
32	R	55.3	Low	60	Low	139 Å²	139	80.3 Å²	80.3	53%	0.525	42%	0.415	S	S	.	.	H	α-helix	trans	-60.6	-31.3	177.9	-173.8	-172.2	-176.5	-163.2	3.3	111.7	Q36 W80	R32-Q36 WeakPolarHBondContact O-CB 3.28Å; R32-Q36 VanDerWaalsContact O-CG 3.28Å; R32-Q36 WeakPolarHBondContact O-CG 3.37Å; R32-Q36 PolarHBondContact O-N 3.25Å; R32-Q36 PolarHBondContact O-NE2 3.45Å; R32-W80 HydrophobicContact CG-CD2 4.29Å; R32-W80 HydrophobicContact CG-CE3 4.39Å
33	E	57.6	Low	60.3	Low	111 Å²	111	82.5 Å²	82.5	52%	0.519	42%	0.417	S	S	.	.	H	α-helix	trans	-77.8	-37.2	-178.5	-67.7	58.4	-129.7	0	0	111.7	S31 Q37	S31-E33 PolarHBondContact O-N 3.49Å; E33-Q37 WeakPolarHBondContact O-CG 3.46Å; E33-Q37 PolarHBondContact O-NE2 3.36Å
34	E	59.6	Low	60.3	Low	97 Å²	97	89.3 Å²	89.3	45%	0.453	44%	0.442	S	S	.	.	H	α-helix	trans	-73.2	-43.8	172.7	-69.4	161.4	132.7	0	0	111.4	F30 S31 Q36 Q37 L38	F30-E34 HydrophobicContact CD1-CB 3.9Å; S31-E34 VanDerWaalsContact CB-OE2 3.26Å; S31-E34 WeakPolarHBondContact CB-OE2 3.35Å; S31-E34 PolarHBondContact N-OE2 3.36Å; S31-E34 PolarHBondContact O-N 2.84Å; S31-E34 WeakPolarHBondContact OG-CB 3.33Å; S31-E34 WeakPolarHBondContact OG-CG 3.37Å; S31-E34 PolarHBondContact OG-N 3.2Å; S31-E34 PolarHBondContact OG-OE2 3.33Å; E34-Q36 PolarHBondContact O-N 3.22Å; E34-Q37 WeakPolarHBondContact O-CA 3.33Å; E34-Q37 WeakPolarHBondContact O-CB 3.32Å; E34-Q37 PolarHBondContact O-N 3.12Å; E34-L38 PolarHBondContact O-N 3.07Å
35	W	70.3	Confident	60.3	Low	22 Å²	22	87.9 Å²	87.9	8%	0.083	44%	0.439	C	S	.	.	H	α-helix	trans	-58.7	-37	177.5	-173.6	-94.8	0	0	0	112.2	F30 S31 Q37 L38 R43 Y46 L73 P79 W80	F30-W35 HydrophobicContact CB-CB 4.32Å; F30-W35 HydrophobicContact CB-CE3 4.17Å; F30-W35 AromaticContact CD2-CE3 3.89Å; F30-W35 HydrophobicContact CD2-CE3 3.89Å; F30-W35 HydrophobicContact CD2-CZ3 4.11Å; F30-W35 HydrophobicContact CG-CE3 4.21Å; S31-W35 WeakPolarHBondContact O-CB 3.36Å; S31-W35 PolarHBondContact O-N 3.25Å; W35-Q37 VanDerWaalsContact C-N 3.28Å; W35-Q37 PolarHBondContact O-N 2.99Å; W35-L38 HydrophobicContact CD2-CD1 4.35Å; W35-L38 HydrophobicContact CE3-CD1 3.71Å; W35-L38 HydrophobicContact CZ3-CD1 4.02Å; W35-L38 PolarHBondContact O-N 3.07Å; W35-R43 HydrophobicContact CD2-CG 4.47Å; W35-R43 HydrophobicContact CH2-CB 4.18Å; W35-R43 HydrophobicContact CH2-CG 4.18Å; W35-R43 HydrophobicContact CZ2-CB 4.01Å; W35-R43 HydrophobicContact CZ2-CG 3.84Å; W35-R43 VanDerWaalsContact O-CZ 3.28Å; W35-R43 PolarHBondContact O-NE 3.2Å; W35-R43 PolarHBondContact O-NH2 2.93Å; W35-Y46 AromaticContact CH2-CD1 3.52Å; W35-Y46 HydrophobicContact CH2-CD1 3.52Å; W35-Y46 HydrophobicContact CH2-CE1 4.02Å; W35-Y46 HydrophobicContact CH2-CG 4.21Å; W35-Y46 AromaticContact CZ3-CD1 3.41Å; W35-Y46 HydrophobicContact CZ3-CD1 3.41Å; W35-Y46 VanDerWaalsContact CZ3-CD1 3.41Å; W35-Y46 AromaticContact CZ3-CE1 3.69Å; W35-Y46 HydrophobicContact CZ3-CE1 3.69Å; W35-Y46 AromaticContact CZ3-CG 3.85Å; W35-Y46 HydrophobicContact CZ3-CG 3.85Å; W35-L73 HydrophobicContact CH2-CD2 4.33Å; W35-P79 HydrophobicContact CD2-CG 4.27Å; W35-P79 HydrophobicContact CE3-CG 3.96Å; W35-P79 HydrophobicContact CH2-CG 4.17Å; W35-P79 HydrophobicContact CZ2-CG 4.45Å; W35-P79 HydrophobicContact CZ3-CG 3.92Å; W35-W80 AromaticContact CD1-CZ3 3.6Å; W35-W80 HydrophobicContact CG-CE3 4.44Å; W35-W80 HydrophobicContact CG-CZ3 4.33Å
36	Q	64	Low	60.7	Low	119 Å²	119	83.7 Å²	83.7	56%	0.556	42%	0.415	S	S	*	.	H	α-helix	trans	-65.3	-27.6	173.9	-80.9	176.5	55.4	0	0	113.7	R32 E34 R43	R32-Q36 WeakPolarHBondContact O-CB 3.28Å; R32-Q36 VanDerWaalsContact O-CG 3.28Å; R32-Q36 WeakPolarHBondContact O-CG 3.37Å; R32-Q36 PolarHBondContact O-N 3.25Å; R32-Q36 PolarHBondContact O-NE2 3.45Å; E34-Q36 PolarHBondContact O-N 3.22Å; Q36-R43 PolarHBondContact O-NH2 3.44Å
37	Q	62	Low	61	Low	156 Å²	156	84 Å²	84	73%	0.729	41%	0.413	S	S	*	.	H	α-helix	trans	-80	-21.3	176	-70	168.3	76.2	0	0	113.3	E33 E34 W35	E33-Q37 WeakPolarHBondContact O-CG 3.46Å; E33-Q37 PolarHBondContact O-NE2 3.36Å; E34-Q37 WeakPolarHBondContact O-CA 3.33Å; E34-Q37 WeakPolarHBondContact O-CB 3.32Å; E34-Q37 PolarHBondContact O-N 3.12Å; W35-Q37 VanDerWaalsContact C-N 3.28Å; W35-Q37 PolarHBondContact O-N 2.99Å
38	L	60.2	Low	61	Low	30 Å²	30	87.2 Å²	87.2	16%	0.157	43%	0.429	C	S	.	.	S	Bend	trans	-67	136.7	176.3	-61	179.8	0	0	0	112.1	F30 E34 W35 Q42 R43	F30-L38 HydrophobicContact CD1-CD1 4.4Å; F30-L38 HydrophobicContact CD2-CD1 4.26Å; F30-L38 HydrophobicContact CE1-CD1 4.14Å; F30-L38 HydrophobicContact CE1-CD2 4.35Å; F30-L38 HydrophobicContact CE2-CD1 3.99Å; F30-L38 HydrophobicContact CG-CD1 4.45Å; F30-L38 HydrophobicContact CZ-CD1 3.92Å; F30-L38 HydrophobicContact CZ-CD2 4.43Å; E34-L38 PolarHBondContact O-N 3.07Å; W35-L38 HydrophobicContact CD2-CD1 4.35Å; W35-L38 HydrophobicContact CE3-CD1 3.71Å; W35-L38 HydrophobicContact CZ3-CD1 4.02Å; W35-L38 PolarHBondContact O-N 3.07Å; L38-Q42 VanDerWaalsContact CA-OE1 3.31Å; L38-Q42 HydrophobicContact CB-CB 4.18Å; L38-Q42 HydrophobicContact CD2-CB 4.33Å; L38-R43 HydrophobicContact CB-CG 3.71Å; L38-R43 HydrophobicContact CD1-CG 4.31Å; L38-R43 PolarHBondContact O-NE 3.42Å; L38-R43 VanDerWaalsContact O-NE 3.12Å; L38-R43 PolarHBondContact O-NH2 3.15Å
39	D	58.7	Low	61.2	Low	69 Å²	69	85.9 Å²	85.9	37%	0.369	42%	0.421	S	S	.	.			trans	-76.2	169.2	173.4	76	56.4	0	0	0	113	T41 Q42 R43	D39-T41 VanDerWaalsContact C-N 3.26Å; D39-T41 PolarHBondContact O-N 3.34Å; D39-T41 VanDerWaalsContact OD1-CA 3.26Å; D39-T41 WeakPolarHBondContact OD1-CA 3.18Å; D39-T41 WeakPolarHBondContact OD1-CB 3.43Å; D39-T41 PolarHBondContact OD1-N 3Å; D39-T41 PolarHBondContact OD1-OG1 3.43Å; D39-Q42 PolarHBondContact O-N 2.89Å; D39-Q42 PolarHBondContact OD1-N 3.33Å; D39-Q42 WeakPolarHBondContact OD2-CG 3.35Å; D39-Q42 PolarHBondContact OD2-NE2 3.33Å; D39-R43 WeakPolarHBondContact O-CG 3.49Å; D39-R43 PolarHBondContact O-N 3.22Å
40	S	50.5	Low	61.6	Low	93 Å²	93	81 Å²	81	65%	0.65	40%	0.395	S	S	*	.	H	α-helix	trans	-66.6	-24	-176.2	60.1	0	0	0	0	114.2	R44	S40-R44 WeakPolarHBondContact O-CB 3.49Å; S40-R44 PolarHBondContact O-N 3.19Å
41	T	53.8	Low	61.7	Low	96 Å²	96	80.9 Å²	80.9	59%	0.589	40%	0.396	S	S	*	.	H	α-helix	trans	-76.8	-41.4	171.5	1.9	0	0	0	0	111.3	D39 R44 L45	D39-T41 VanDerWaalsContact C-N 3.26Å; D39-T41 PolarHBondContact O-N 3.34Å; D39-T41 VanDerWaalsContact OD1-CA 3.26Å; D39-T41 WeakPolarHBondContact OD1-CA 3.18Å; D39-T41 WeakPolarHBondContact OD1-CB 3.43Å; D39-T41 PolarHBondContact OD1-N 3Å; D39-T41 PolarHBondContact OD1-OG1 3.43Å; T41-R44 PolarHBondContact O-N 3.45Å; T41-L45 WeakPolarHBondContact O-CB 3.46Å; T41-L45 PolarHBondContact O-N 3.28Å
42	Q	53.4	Low	62.1	Low	88 Å²	88	81.7 Å²	81.7	41%	0.411	40%	0.395	S	S	.	.	H	α-helix	trans	-65.6	-45.3	177	-68.7	169.8	-1.8	0	0	111.9	L38 D39 R44 L45 Y46	L38-Q42 VanDerWaalsContact CA-OE1 3.31Å; L38-Q42 HydrophobicContact CB-CB 4.18Å; L38-Q42 HydrophobicContact CD2-CB 4.33Å; D39-Q42 PolarHBondContact O-N 2.89Å; D39-Q42 PolarHBondContact OD1-N 3.33Å; D39-Q42 WeakPolarHBondContact OD2-CG 3.35Å; D39-Q42 PolarHBondContact OD2-NE2 3.33Å; Q42-R44 VanDerWaalsContact C-N 3.34Å; Q42-R44 PolarHBondContact O-N 3.32Å; Q42-L45 PolarHBondContact O-N 3.36Å; Q42-Y46 PolarHBondContact O-N 3.34Å
43	R	65.1	Low	62.7	Low	86 Å²	86	77.4 Å²	77.4	33%	0.325	38%	0.383	S	S	.	.	H	α-helix	trans	-62	-39.3	175.5	-67.2	-178.1	-168.4	150.3	14.3	112.2	W35 Q36 L38 D39 Y46 Q47	W35-R43 HydrophobicContact CD2-CG 4.47Å; W35-R43 HydrophobicContact CH2-CB 4.18Å; W35-R43 HydrophobicContact CH2-CG 4.18Å; W35-R43 HydrophobicContact CZ2-CB 4.01Å; W35-R43 HydrophobicContact CZ2-CG 3.84Å; W35-R43 VanDerWaalsContact O-CZ 3.28Å; W35-R43 PolarHBondContact O-NE 3.2Å; W35-R43 PolarHBondContact O-NH2 2.93Å; Q36-R43 PolarHBondContact O-NH2 3.44Å; L38-R43 HydrophobicContact CB-CG 3.71Å; L38-R43 HydrophobicContact CD1-CG 4.31Å; L38-R43 PolarHBondContact O-NE 3.42Å; L38-R43 VanDerWaalsContact O-NE 3.12Å; L38-R43 PolarHBondContact O-NH2 3.15Å; D39-R43 WeakPolarHBondContact O-CG 3.49Å; D39-R43 PolarHBondContact O-N 3.22Å; R43-Y46 PolarHBondContact O-N 3.26Å; R43-Q47 WeakPolarHBondContact O-CB 3.26Å; R43-Q47 PolarHBondContact O-N 3.47Å
44	R	59.2	Low	63.2	Low	153 Å²	153	73.7 Å²	73.7	58%	0.577	36%	0.364	S	S	*	.	H	α-helix	trans	-65.7	-43.8	173.4	179.7	174.2	-73.4	129.9	-4	112	S40 T41 Q42 Y46 Q47 D48	S40-R44 WeakPolarHBondContact O-CB 3.49Å; S40-R44 PolarHBondContact O-N 3.19Å; T41-R44 PolarHBondContact O-N 3.45Å; Q42-R44 VanDerWaalsContact C-N 3.34Å; Q42-R44 PolarHBondContact O-N 3.32Å; R44-Y46 VanDerWaalsContact C-N 3.27Å; R44-Y46 PolarHBondContact O-N 3.06Å; R44-Q47 WeakPolarHBondContact O-CB 3.44Å; R44-Q47 PolarHBondContact O-N 3.08Å; R44-D48 VanDerWaalsContact O-CG 3.3Å; R44-D48 PolarHBondContact O-N 3.28Å
45	L	60.5	Low	63.5	Low	112 Å²	112	72.2 Å²	72.2	59%	0.586	36%	0.364	S	S	*	.	H	α-helix	trans	-60.1	-39	176.7	178.5	62.1	0	0	0	111.8	T41 Q42 V49	T41-L45 WeakPolarHBondContact O-CB 3.46Å; T41-L45 PolarHBondContact O-N 3.28Å; Q42-L45 PolarHBondContact O-N 3.36Å; L45-V49 HydrophobicContact CD1-CG2 4.2Å; L45-V49 WeakPolarHBondContact O-CB 3.39Å; L45-V49 VanDerWaalsContact O-CG2 3.24Å; L45-V49 WeakPolarHBondContact O-CG2 3.33Å; L45-V49 PolarHBondContact O-N 2.92Å
46	Y	70.4	Confident	63.2	Low	19 Å²	19	75.2 Å²	75.2	8%	0.075	38%	0.379	C	S	.	.	H	α-helix	trans	-63	-48	173.3	178.9	-95.5	0	0	0	112.5	V28 F30 W35 Q42 R43 R44 D48 V49 M50 L73 P79	V28-Y46 HydrophobicContact CB-CE2 4.33Å; V28-Y46 WeakPolarHBondContact O-CE2 3.38Å; V28-Y46 PolarHBondContact O-OH 3.39Å; F30-Y46 HydrophobicContact CD2-CD2 4.18Å; F30-Y46 AromaticContact CD2-CE2 3.82Å; F30-Y46 HydrophobicContact CD2-CE2 3.82Å; F30-Y46 AromaticContact CE2-CD2 3.61Å; F30-Y46 HydrophobicContact CE2-CD2 3.61Å; F30-Y46 AromaticContact CE2-CE2 3.6Å; F30-Y46 HydrophobicContact CE2-CE2 3.6Å; F30-Y46 HydrophobicContact CE2-CG 4.37Å; W35-Y46 AromaticContact CH2-CD1 3.52Å; W35-Y46 HydrophobicContact CH2-CD1 3.52Å; W35-Y46 HydrophobicContact CH2-CE1 4.02Å; W35-Y46 HydrophobicContact CH2-CG 4.21Å; W35-Y46 AromaticContact CZ3-CD1 3.41Å; W35-Y46 HydrophobicContact CZ3-CD1 3.41Å; W35-Y46 VanDerWaalsContact CZ3-CD1 3.41Å; W35-Y46 AromaticContact CZ3-CE1 3.69Å; W35-Y46 HydrophobicContact CZ3-CE1 3.69Å; W35-Y46 AromaticContact CZ3-CG 3.85Å; W35-Y46 HydrophobicContact CZ3-CG 3.85Å; Q42-Y46 PolarHBondContact O-N 3.34Å; R43-Y46 PolarHBondContact O-N 3.26Å; R44-Y46 VanDerWaalsContact C-N 3.27Å; R44-Y46 PolarHBondContact O-N 3.06Å; Y46-D48 PolarHBondContact O-N 3.39Å; Y46-V49 PolarHBondContact O-N 3.38Å; Y46-M50 HydrophobicContact CD1-CG 4.25Å; Y46-M50 HydrophobicContact CD2-CE 4.2Å; Y46-M50 HydrophobicContact CD2-CG 4.24Å; Y46-M50 HydrophobicContact CE1-CG 3.93Å; Y46-M50 HydrophobicContact CE2-CE 3.65Å; Y46-M50 HydrophobicContact CE2-CG 3.9Å; Y46-M50 HydrophobicContact CG-CG 4.44Å; Y46-M50 WeakPolarHBondContact O-CG 3.21Å; Y46-M50 PolarHBondContact O-N 2.98Å; Y46-L73 HydrophobicContact CD1-CD1 4.25Å; Y46-L73 HydrophobicContact CD1-CD2 4.07Å; Y46-L73 HydrophobicContact CE1-CD1 3.87Å; Y46-L73 HydrophobicContact CE1-CD2 4.1Å; Y46-P79 HydrophobicContact CE1-CG 4.16Å
47	Q	65.9	Low	63.1	Low	57 Å²	57	70.7 Å²	70.7	27%	0.266	36%	0.359	S	S	.	.	H	α-helix	trans	-56.4	-49.4	176.5	-173.3	-176.8	21.9	0	0	111.1	R43 R44 V49 M50 L51 L73	R43-Q47 WeakPolarHBondContact O-CB 3.26Å; R43-Q47 PolarHBondContact O-N 3.47Å; R44-Q47 WeakPolarHBondContact O-CB 3.44Å; R44-Q47 PolarHBondContact O-N 3.08Å; Q47-V49 PolarHBondContact O-N 2.88Å; Q47-M50 PolarHBondContact O-N 3.11Å; Q47-L51 HydrophobicContact CG-CD1 3.98Å; Q47-L51 WeakPolarHBondContact O-CB 3.31Å; Q47-L51 WeakPolarHBondContact O-CD1 3.34Å; Q47-L51 VanDerWaalsContact O-CG 3.22Å; Q47-L51 WeakPolarHBondContact O-CG 3.34Å; Q47-L51 PolarHBondContact O-N 2.8Å; Q47-L51 VanDerWaalsContact O-N 3.09Å; Q47-L73 HydrophobicContact CB-CD2 4.27Å; Q47-L73 HydrophobicContact CG-CB 4.37Å; Q47-L73 HydrophobicContact CG-CD2 4.3Å; Q47-L73 PolarHBondContact NE2-O 3.23Å
48	D	60.2	Low	63	Low	90 Å²	90	67 Å²	67	48%	0.481	34%	0.344	S	S	.	.	H	α-helix	trans	-58.1	-47.9	177	-69.7	-24.3	0	0	0	111.5	R44 Y46 E52	R44-D48 VanDerWaalsContact O-CG 3.3Å; R44-D48 PolarHBondContact O-N 3.28Å; Y46-D48 PolarHBondContact O-N 3.39Å; D48-E52 VanDerWaalsContact O-CB 3.26Å; D48-E52 WeakPolarHBondContact O-CB 3.48Å; D48-E52 PolarHBondContact O-N 2.83Å
49	V	67.3	Low	62.9	Low	55 Å²	55	70.1 Å²	70.1	33%	0.333	37%	0.368	S	S	.	.	H	α-helix	trans	-67	-41.9	-178.1	167.3	0	0	0	0	112.6	L45 Y46 Q47 E52 N53	L45-V49 HydrophobicContact CD1-CG2 4.2Å; L45-V49 WeakPolarHBondContact O-CB 3.39Å; L45-V49 VanDerWaalsContact O-CG2 3.24Å; L45-V49 WeakPolarHBondContact O-CG2 3.33Å; L45-V49 PolarHBondContact O-N 2.92Å; Y46-V49 PolarHBondContact O-N 3.38Å; Q47-V49 PolarHBondContact O-N 2.88Å; V49-E52 PolarHBondContact O-N 2.9Å; V49-N53 WeakPolarHBondContact O-CB 3.41Å; V49-N53 VanDerWaalsContact O-CG 3.31Å; V49-N53 PolarHBondContact O-N 3.42Å
50	M	72.3	Confident	62.8	Low	4 Å²	4	71 Å²	71	2%	0.02	38%	0.376	C	S	.	.	H	α-helix	trans	-70.6	-38.7	-179.5	-69.3	-60.3	156.8	0	0	111.8	V28 Y46 Q47 N53 Y54 I70 L73	V28-M50 HydrophobicContact CB-CE 3.97Å; V28-M50 HydrophobicContact CG2-CE 4.1Å; Y46-M50 HydrophobicContact CD1-CG 4.25Å; Y46-M50 HydrophobicContact CD2-CE 4.2Å; Y46-M50 HydrophobicContact CD2-CG 4.24Å; Y46-M50 HydrophobicContact CE1-CG 3.93Å; Y46-M50 HydrophobicContact CE2-CE 3.65Å; Y46-M50 HydrophobicContact CE2-CG 3.9Å; Y46-M50 HydrophobicContact CG-CG 4.44Å; Y46-M50 WeakPolarHBondContact O-CG 3.21Å; Y46-M50 PolarHBondContact O-N 2.98Å; Q47-M50 PolarHBondContact O-N 3.11Å; M50-N53 PolarHBondContact O-N 3.46Å; M50-Y54 PolarHBondContact O-N 2.93Å; M50-I70 HydrophobicContact CB-CD1 4.1Å; M50-I70 WeakPolarHBondContact O-CD1 3.24Å; M50-L73 HydrophobicContact CB-CD1 3.78Å; M50-L73 HydrophobicContact CG-CD1 4.31Å
51	L	67.3	Low	62.8	Low	53 Å²	53	69.6 Å²	69.6	28%	0.277	38%	0.375	S	S	.	.	H	α-helix	trans	-66	-38.7	172.1	-66.3	170.4	0	0	0	111.8	Q47 S55 I70 E74	Q47-L51 HydrophobicContact CG-CD1 3.98Å; Q47-L51 WeakPolarHBondContact O-CB 3.31Å; Q47-L51 WeakPolarHBondContact O-CD1 3.34Å; Q47-L51 VanDerWaalsContact O-CG 3.22Å; Q47-L51 WeakPolarHBondContact O-CG 3.34Å; Q47-L51 PolarHBondContact O-N 2.8Å; Q47-L51 VanDerWaalsContact O-N 3.09Å; L51-S55 VanDerWaalsContact O-CB 3.23Å; L51-S55 WeakPolarHBondContact O-CB 3.48Å; L51-S55 PolarHBondContact O-N 3.33Å; L51-I70 HydrophobicContact CD2-CD1 4.24Å; L51-I70 HydrophobicContact CD2-CG2 4.08Å; L51-E74 HydrophobicContact CD2-CG 3.87Å
52	E	69.8	Low	63	Low	67 Å²	67	69.9 Å²	69.9	31%	0.313	37%	0.369	S	S	.	.	H	α-helix	trans	-64	-41.4	173.1	-177.7	169.6	-163.9	0	0	111.7	D48 V49 H56	D48-E52 VanDerWaalsContact O-CB 3.26Å; D48-E52 WeakPolarHBondContact O-CB 3.48Å; D48-E52 PolarHBondContact O-N 2.83Å; V49-E52 PolarHBondContact O-N 2.9Å; E52-H56 WeakPolarHBondContact CG-CE1 3.31Å; E52-H56 WeakPolarHBondContact CG-ND1 3.06Å; E52-H56 WeakPolarHBondContact O-CB 3.24Å; E52-H56 PolarHBondContact O-N 3.29Å; E52-H56 PolarHBondContact O-ND1 3.07Å; E52-H56 IonicContact OE1-CE1 2.74Å; E52-H56 PolarHBondContact OE1-CE1 3.36Å
53	N	67.9	Low	62.9	Low	49 Å²	49	75 Å²	75	26%	0.262	39%	0.393	S	S	.	.	H	α-helix	trans	-63.2	-48.2	175.9	-77.7	-6.9	0	0	0	112.2	V26 V49 M50 H56 L57	V26-N53 PolarHBondContact O-ND2 3.29Å; V49-N53 WeakPolarHBondContact O-CB 3.41Å; V49-N53 VanDerWaalsContact O-CG 3.31Å; V49-N53 PolarHBondContact O-N 3.42Å; M50-N53 PolarHBondContact O-N 3.46Å; N53-H56 PolarHBondContact O-N 2.9Å; N53-L57 PolarHBondContact O-N 3.09Å
54	Y	68.8	Low	62.5	Low	33 Å²	33	72.4 Å²	72.4	13%	0.129	39%	0.386	C	S	.	.	H	α-helix	trans	-61.8	-45.2	177.5	180	-114.8	0	0	0	111.8	F23 M50 H56 L57 L58 V64 K66 P67 I70	F23-Y54 HydrophobicContact CD2-CD2 4.42Å; F23-Y54 HydrophobicContact CE2-CD2 4.38Å; M50-Y54 PolarHBondContact O-N 2.93Å; Y54-H56 VanDerWaalsContact C-N 3.29Å; Y54-H56 PolarHBondContact O-N 3.44Å; Y54-L57 PolarHBondContact O-N 2.8Å; Y54-L58 HydrophobicContact CD1-CD1 4.13Å; Y54-L58 HydrophobicContact CE1-CD1 3.62Å; Y54-L58 HydrophobicContact CE1-CG 4.47Å; Y54-L58 HydrophobicContact CE2-CD1 4.33Å; Y54-L58 HydrophobicContact CE2-CG 4.36Å; Y54-L58 PolarHBondContact O-N 3.27Å; Y54-L58 VanDerWaalsContact O-N 3.16Å; Y54-V64 HydrophobicContact CE2-CB 4.44Å; Y54-V64 HydrophobicContact CE2-CG1 4.46Å; Y54-K66 HydrophobicContact CE1-CG 4.37Å; Y54-P67 HydrophobicContact CD2-CG 4.3Å; Y54-P67 VanDerWaalsContact CE2-CD 3.47Å; Y54-P67 HydrophobicContact CE2-CG 4.37Å; Y54-I70 HydrophobicContact CD1-CG2 3.86Å; Y54-I70 HydrophobicContact CD2-CG1 4.42Å; Y54-I70 HydrophobicContact CE1-CG2 4.19Å; Y54-I70 HydrophobicContact CG-CD1 4.37Å; Y54-I70 HydrophobicContact CG-CG1 4.08Å; Y54-I70 HydrophobicContact CG-CG2 4.26Å
55	S	66.3	Low	62.5	Low	65 Å²	65	70.5 Å²	70.5	46%	0.455	39%	0.394	S	S	.	.	H	α-helix	trans	-59.8	-37	174.9	-174.8	0	0	0	0	112.7	L51 S59	L51-S55 VanDerWaalsContact O-CB 3.23Å; L51-S55 WeakPolarHBondContact O-CB 3.48Å; L51-S55 PolarHBondContact O-N 3.33Å; S55-S59 VanDerWaalsContact O-CB 3.23Å; S55-S59 WeakPolarHBondContact O-CB 3.5Å; S55-S59 PolarHBondContact O-N 3.45Å; S55-S59 PolarHBondContact O-OG 2.95Å
56	H	63.7	Low	62.7	Low	86 Å²	86	69.8 Å²	69.8	40%	0.398	39%	0.386	S	S	.	.	H	α-helix	trans	-68.4	-40.9	175.6	-81.2	128	0	0	0	113.5	E52 N53 Y54 S59 V60	E52-H56 WeakPolarHBondContact CG-CE1 3.31Å; E52-H56 WeakPolarHBondContact CG-ND1 3.06Å; E52-H56 WeakPolarHBondContact O-CB 3.24Å; E52-H56 PolarHBondContact O-N 3.29Å; E52-H56 PolarHBondContact O-ND1 3.07Å; E52-H56 IonicContact OE1-CE1 2.74Å; E52-H56 PolarHBondContact OE1-CE1 3.36Å; N53-H56 PolarHBondContact O-N 2.9Å; Y54-H56 VanDerWaalsContact C-N 3.29Å; Y54-H56 PolarHBondContact O-N 3.44Å; H56-S59 CarbonylContact O-C 3.49Å; H56-S59 PolarHBondContact O-N 3.11Å; H56-V60 WeakPolarHBondContact O-CG2 3.4Å; H56-V60 PolarHBondContact O-N 3.44Å
57	L	61.7	Low	62.7	Low	24 Å²	24	70 Å²	70	13%	0.126	39%	0.389	C	S	.	.	H	α-helix	trans	-63	-46.6	177.2	-72.3	164.6	0	0	0	111.5	F23 V26 N53 Y54 S59 V60 G61 F62 V64	F23-L57 HydrophobicContact CD2-CD1 3.78Å; V26-L57 HydrophobicContact CG2-CD1 4.09Å; N53-L57 PolarHBondContact O-N 3.09Å; Y54-L57 PolarHBondContact O-N 2.8Å; L57-S59 VanDerWaalsContact C-N 3.3Å; L57-S59 PolarHBondContact O-N 3.09Å; L57-V60 PolarHBondContact O-N 2.48Å; L57-V60 VanDerWaalsContact O-N 3.17Å; L57-G61 PolarHBondContact O-N 2.86Å; L57-F62 HydrophobicContact CD2-CD2 4.18Å; L57-F62 PolarHBondContact O-N 2.87Å; L57-V64 HydrophobicContact CB-CG2 4.38Å
58	L	60.4	Low	62.6	Low	79 Å²	79	73 Å²	73	41%	0.414	40%	0.404	S	S	.	.	H	α-helix	trans	-58.9	-41.5	172.1	-65.8	177.5	0	0	0	111.8	Y54 V60 G61	Y54-L58 HydrophobicContact CD1-CD1 4.13Å; Y54-L58 HydrophobicContact CE1-CD1 3.62Å; Y54-L58 HydrophobicContact CE1-CG 4.47Å; Y54-L58 HydrophobicContact CE2-CD1 4.33Å; Y54-L58 HydrophobicContact CE2-CG 4.36Å; Y54-L58 PolarHBondContact O-N 3.27Å; Y54-L58 VanDerWaalsContact O-N 3.16Å; L58-V60 VanDerWaalsContact C-N 3.25Å; L58-V60 PolarHBondContact O-N 2.46Å; L58-G61 PolarHBondContact O-N 3.34Å; L58-G61 VanDerWaalsContact O-N 3.11Å
59	S	56.9	Low	62.8	Low	95 Å²	95	69.8 Å²	69.8	66%	0.664	39%	0.387	S	S	*	.	H	α-helix	trans	-69.5	-17.5	178.9	-63.6	0	0	0	0	114.5	S55 H56 L57	S55-S59 VanDerWaalsContact O-CB 3.23Å; S55-S59 WeakPolarHBondContact O-CB 3.5Å; S55-S59 PolarHBondContact O-N 3.45Å; S55-S59 PolarHBondContact O-OG 2.95Å; H56-S59 CarbonylContact O-C 3.49Å; H56-S59 PolarHBondContact O-N 3.11Å; L57-S59 VanDerWaalsContact C-N 3.3Å; L57-S59 PolarHBondContact O-N 3.09Å
60	V	57.2	Low	62.9	Low	88 Å²	88	67.2 Å²	67.2	53%	0.533	37%	0.371	S	S	.	.	H	α-helix	trans	-88.7	-17.5	172.8	172.6	0	0	0	0	111.6	H56 L57 L58 F62	H56-V60 WeakPolarHBondContact O-CG2 3.4Å; H56-V60 PolarHBondContact O-N 3.44Å; L57-V60 PolarHBondContact O-N 2.48Å; L57-V60 VanDerWaalsContact O-N 3.17Å; L58-V60 VanDerWaalsContact C-N 3.25Å; L58-V60 PolarHBondContact O-N 2.46Å; V60-F62 HydrophobicContact CB-CD2 4.21Å; V60-F62 HydrophobicContact CB-CE2 4.28Å; V60-F62 HydrophobicContact CG1-CD2 3.99Å; V60-F62 HydrophobicContact CG1-CE2 3.63Å
61	G	51.5	Low	62.9	Low	63 Å²	63	72.1 Å²	72.1	65%	0.649	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.1	17.4	173.4	0	0	0	0	0	115.1	L57 L58	L57-G61 PolarHBondContact O-N 2.86Å; L58-G61 PolarHBondContact O-N 3.34Å; L58-G61 VanDerWaalsContact O-N 3.11Å
62	F	56.5	Low	62.8	Low	101 Å²	101	71 Å²	71	44%	0.443	39%	0.385	S	S	.	.			trans	-81.1	126.5	171.9	-66.3	-82	0	0	0	110.6	L57 V60 V64	L57-F62 HydrophobicContact CD2-CD2 4.18Å; L57-F62 PolarHBondContact O-N 2.87Å; V60-F62 HydrophobicContact CB-CD2 4.21Å; V60-F62 HydrophobicContact CB-CE2 4.28Å; V60-F62 HydrophobicContact CG1-CD2 3.99Å; V60-F62 HydrophobicContact CG1-CE2 3.63Å; F62-V64 HydrophobicContact CB-CG2 3.74Å; F62-V64 PolarHBondContact O-N 2.67Å
63	E	51.8	Low	62.7	Low	197 Å²	197	68 Å²	68	92%	0.921	37%	0.371	S	S	*	.			trans	-79.1	71.5	171	-67.1	-167.8	160.8	0	0	110.5
64	V	57.3	Low	62.8	Low	31 Å²	31	70.2 Å²	70.2	19%	0.188	38%	0.38	C	S	.	.			trans	-82.2	119.4	177.6	-172.1	0	0	0	0	109.5	F23 Y54 L57 F62	F23-V64 HydrophobicContact CB-CG1 4.26Å; Y54-V64 HydrophobicContact CE2-CB 4.44Å; Y54-V64 HydrophobicContact CE2-CG1 4.46Å; L57-V64 HydrophobicContact CB-CG2 4.38Å; F62-V64 HydrophobicContact CB-CG2 3.74Å; F62-V64 PolarHBondContact O-N 2.67Å
65	P	58.5	Low	62.3	Low	113 Å²	113	74.4 Å²	74.4	73%	0.734	40%	0.401	S	S	*	.			trans	-62.8	139.8	172.2	27.8	-34	0	0	0	109.7	P67	P65-P67 WeakPolarHBondContact O-CD 3.46Å; P65-P67 VanDerWaalsContact O-N 3.11Å
66	K	65.2	Low	61.8	Low	97 Å²	97	74.2 Å²	74.2	42%	0.422	41%	0.409	S	S	.	.			trans	-59.2	114.6	-168.4	-169.7	172.5	-169.9	169.1	0	111.8	Y54 I70 E74	Y54-K66 HydrophobicContact CE1-CG 4.37Å; K66-I70 HydrophobicContact CG-CG2 4.22Å; K66-E74 WeakPolarHBondContact CE-OE1 3.34Å; K66-E74 IonicContact NZ-OE1 2.63Å; K66-E74 PolarHBondContact NZ-OE1 2.81Å; K66-E74 IonicContact NZ-OE2 2.63Å; K66-E74 PolarHBondContact NZ-OE2 3.48Å
67	P	70.5	Confident	61.6	Low	22 Å²	22	75.9 Å²	75.9	14%	0.143	42%	0.417	C	S	.	.			trans	-64.3	145.5	-176.7	-22.3	33	0	0	0	112.4	F23 Y54 P65 V69 I70 F71	F23-P67 HydrophobicContact CB-CG 4.03Å; F23-P67 HydrophobicContact CD1-CB 3.57Å; F23-P67 HydrophobicContact CD1-CG 3.32Å; F23-P67 HydrophobicContact CD2-CG 4.06Å; F23-P67 HydrophobicContact CE1-CB 3.76Å; F23-P67 HydrophobicContact CE1-CG 3.72Å; F23-P67 HydrophobicContact CE2-CG 4.43Å; F23-P67 HydrophobicContact CG-CB 4.28Å; F23-P67 HydrophobicContact CG-CG 3.51Å; F23-P67 HydrophobicContact CZ-CG 4.29Å; Y54-P67 HydrophobicContact CD2-CG 4.3Å; Y54-P67 VanDerWaalsContact CE2-CD 3.47Å; Y54-P67 HydrophobicContact CE2-CG 4.37Å; P65-P67 WeakPolarHBondContact O-CD 3.46Å; P65-P67 VanDerWaalsContact O-N 3.11Å; P67-V69 VanDerWaalsContact C-N 3.26Å; P67-V69 PolarHBondContact O-N 2.86Å; P67-I70 HydrophobicContact CB-CB 4.39Å; P67-I70 HydrophobicContact CB-CG1 4.15Å; P67-I70 HydrophobicContact CG-CG1 4.12Å; P67-I70 WeakPolarHBondContact O-CB 3.31Å; P67-I70 PolarHBondContact O-N 2.77Å; P67-F71 PolarHBondContact O-N 3.44Å
68	E	63.8	Low	61.2	Low	122 Å²	122	75.5 Å²	75.5	57%	0.57	42%	0.419	S	S	*	.	H	α-helix	trans	-60.6	-36.6	179.6	-166.5	-174.4	133.4	0	0	112	I70 F71 K72	E68-I70 VanDerWaalsContact C-N 3.33Å; E68-I70 PolarHBondContact O-N 3.25Å; E68-F71 PolarHBondContact O-N 2.97Å; E68-K72 PolarHBondContact O-N 2.97Å; E68-K72 WeakPolarHBondContact OE1-CE 3.41Å; E68-K72 IonicContact OE1-NZ 3.97Å; E68-K72 PolarHBondContact OE1-NZ 3.46Å
69	V	64.2	Low	60.9	Low	22 Å²	22	72.2 Å²	72.2	13%	0.133	40%	0.402	C	S	.	.	H	α-helix	trans	-57.2	-44.4	172.5	172.9	0	0	0	0	111.3	P67 K72 L73 P79	P67-V69 VanDerWaalsContact C-N 3.26Å; P67-V69 PolarHBondContact O-N 2.86Å; V69-K72 PolarHBondContact O-N 2.81Å; V69-L73 HydrophobicContact CG1-CD1 3.86Å; V69-L73 HydrophobicContact CG1-CG 4.45Å; V69-L73 WeakPolarHBondContact O-CB 3.48Å; V69-L73 WeakPolarHBondContact O-CG 3.45Å; V69-L73 PolarHBondContact O-N 3.38Å; V69-P79 HydrophobicContact CG1-CB 3.95Å
70	I	69.8	Low	61.1	Low	0 Å²	0	72.8 Å²	72.8	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-67.4	-39.5	176.9	-66.7	-63.8	0	0	0	111.2	F23 M50 L51 Y54 K66 P67 E68 L73 E74	F23-I70 HydrophobicContact CE1-CD1 4.43Å; F23-I70 HydrophobicContact CE1-CG1 3.98Å; F23-I70 HydrophobicContact CE2-CD1 4.32Å; F23-I70 HydrophobicContact CE2-CG1 4.24Å; F23-I70 HydrophobicContact CZ-CD1 3.67Å; F23-I70 HydrophobicContact CZ-CG1 3.59Å; M50-I70 HydrophobicContact CB-CD1 4.1Å; M50-I70 WeakPolarHBondContact O-CD1 3.24Å; L51-I70 HydrophobicContact CD2-CD1 4.24Å; L51-I70 HydrophobicContact CD2-CG2 4.08Å; Y54-I70 HydrophobicContact CD1-CG2 3.86Å; Y54-I70 HydrophobicContact CD2-CG1 4.42Å; Y54-I70 HydrophobicContact CE1-CG2 4.19Å; Y54-I70 HydrophobicContact CG-CD1 4.37Å; Y54-I70 HydrophobicContact CG-CG1 4.08Å; Y54-I70 HydrophobicContact CG-CG2 4.26Å; K66-I70 HydrophobicContact CG-CG2 4.22Å; P67-I70 HydrophobicContact CB-CB 4.39Å; P67-I70 HydrophobicContact CB-CG1 4.15Å; P67-I70 HydrophobicContact CG-CG1 4.12Å; P67-I70 WeakPolarHBondContact O-CB 3.31Å; P67-I70 PolarHBondContact O-N 2.77Å; E68-I70 VanDerWaalsContact C-N 3.33Å; E68-I70 PolarHBondContact O-N 3.25Å; I70-L73 PolarHBondContact O-N 2.69Å; I70-E74 PolarHBondContact O-N 3.47Å
71	F	70.9	Confident	60.1	Low	107 Å²	107	73.8 Å²	73.8	47%	0.469	40%	0.396	S	S	.	.	H	α-helix	trans	-62	-47.9	175.8	-177.2	-95.8	0	0	0	112	P67 E68 E74 Q75	P67-F71 PolarHBondContact O-N 3.44Å; E68-F71 PolarHBondContact O-N 2.97Å; F71-E74 PolarHBondContact O-N 3.2Å; F71-Q75 HydrophobicContact CE1-CG 4.3Å; F71-Q75 HydrophobicContact CZ-CG 4.46Å; F71-Q75 WeakPolarHBondContact O-CG 3.37Å; F71-Q75 PolarHBondContact O-N 3.09Å
72	K	65.6	Low	59.2	Low	29 Å²	29	78.8 Å²	78.8	13%	0.126	41%	0.407	C	S	.	.	H	α-helix	trans	-60.3	-45.9	175.6	-73.3	172.7	179.1	165.2	0	112.1	E68 V69 E74 Q75 G76 E77 W80	E68-K72 PolarHBondContact O-N 2.97Å; E68-K72 WeakPolarHBondContact OE1-CE 3.41Å; E68-K72 IonicContact OE1-NZ 3.97Å; E68-K72 PolarHBondContact OE1-NZ 3.46Å; V69-K72 PolarHBondContact O-N 2.81Å; K72-E74 VanDerWaalsContact C-N 3.31Å; K72-E74 PolarHBondContact O-N 3.04Å; K72-Q75 PolarHBondContact O-N 3.39Å; K72-Q75 VanDerWaalsContact O-N 3.13Å; K72-G76 PolarHBondContact O-N 2.83Å; K72-G76 VanDerWaalsContact O-N 3.13Å; K72-E77 HydrophobicContact CB-CB 4.22Å; K72-E77 PolarHBondContact O-N 2.97Å; K72-W80 PolarHBondContact NZ-O 3.11Å
73	L	68.7	Low	58	Low	4 Å²	4	83 Å²	83	2%	0.021	43%	0.428	C	S	.	.	H	α-helix	trans	-63.7	-31	178.9	-73.8	172.8	0	0	0	113.3	W35 Y46 Q47 M50 V69 I70 G76	W35-L73 HydrophobicContact CH2-CD2 4.33Å; Y46-L73 HydrophobicContact CD1-CD1 4.25Å; Y46-L73 HydrophobicContact CD1-CD2 4.07Å; Y46-L73 HydrophobicContact CE1-CD1 3.87Å; Y46-L73 HydrophobicContact CE1-CD2 4.1Å; Q47-L73 HydrophobicContact CB-CD2 4.27Å; Q47-L73 HydrophobicContact CG-CB 4.37Å; Q47-L73 HydrophobicContact CG-CD2 4.3Å; Q47-L73 PolarHBondContact NE2-O 3.23Å; M50-L73 HydrophobicContact CB-CD1 3.78Å; M50-L73 HydrophobicContact CG-CD1 4.31Å; V69-L73 HydrophobicContact CG1-CD1 3.86Å; V69-L73 HydrophobicContact CG1-CG 4.45Å; V69-L73 WeakPolarHBondContact O-CB 3.48Å; V69-L73 WeakPolarHBondContact O-CG 3.45Å; V69-L73 PolarHBondContact O-N 3.38Å; I70-L73 PolarHBondContact O-N 2.69Å; L73-G76 PolarHBondContact O-N 3.11Å
74	E	69.2	Low	56.9	Low	96 Å²	96	77.2 Å²	77.2	45%	0.449	42%	0.422	S	S	.	.	H	α-helix	trans	-71.1	-34.9	172.5	-79	-179.5	-156.4	0	0	113	L51 K66 I70 F71 K72 G76	L51-E74 HydrophobicContact CD2-CG 3.87Å; K66-E74 WeakPolarHBondContact CE-OE1 3.34Å; K66-E74 IonicContact NZ-OE1 2.63Å; K66-E74 PolarHBondContact NZ-OE1 2.81Å; K66-E74 IonicContact NZ-OE2 2.63Å; K66-E74 PolarHBondContact NZ-OE2 3.48Å; I70-E74 PolarHBondContact O-N 3.47Å; F71-E74 PolarHBondContact O-N 3.2Å; K72-E74 VanDerWaalsContact C-N 3.31Å; K72-E74 PolarHBondContact O-N 3.04Å; E74-G76 PolarHBondContact O-N 3.32Å
75	Q	59.6	Low	55.5	Low	122 Å²	122	85 Å²	85	57%	0.57	46%	0.456	S	S	*	.	H	α-helix	trans	-76.8	-8.1	175	-56.1	-63.5	-3	0	0	113.1	F71 K72 E77	F71-Q75 HydrophobicContact CE1-CG 4.3Å; F71-Q75 HydrophobicContact CZ-CG 4.46Å; F71-Q75 WeakPolarHBondContact O-CG 3.37Å; F71-Q75 PolarHBondContact O-N 3.09Å; K72-Q75 PolarHBondContact O-N 3.39Å; K72-Q75 VanDerWaalsContact O-N 3.13Å; Q75-E77 VanDerWaalsContact C-N 3.34Å; Q75-E77 HydrophobicContact CB-CG 4.22Å
76	G	54.9	Low	53.8	Low	60 Å²	60	84.3 Å²	84.3	62%	0.619	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	13.8	-174.6	0	0	0	0	0	114.3	K72 L73 E74	K72-G76 PolarHBondContact O-N 2.83Å; K72-G76 VanDerWaalsContact O-N 3.13Å; L73-G76 PolarHBondContact O-N 3.11Å; E74-G76 PolarHBondContact O-N 3.32Å
77	E	60	Low	52.2	Low	122 Å²	122	85.6 Å²	85.6	57%	0.57	48%	0.478	S	S	*	.			trans	-84	159.1	177	-64.6	-173.3	178.6	0	0	112	K72 Q75	K72-E77 HydrophobicContact CB-CB 4.22Å; K72-E77 PolarHBondContact O-N 2.97Å; Q75-E77 VanDerWaalsContact C-N 3.34Å; Q75-E77 HydrophobicContact CB-CG 4.22Å
78	G	53.4	Low	50.2	Low	15 Å²	15	93.6 Å²	93.6	16%	0.155	51%	0.513	C	S	.	.			trans	-74.3	141.3	175.1	0	0	0	0	0	111.7	W80	G78-W80 VanDerWaalsContact C-N 3.29Å; G78-W80 PolarHBondContact O-N 3.01Å
79	P	54.1	Low	48.4	Very low	10 Å²	10	97.4 Å²	97.4	7%	0.065	53%	0.531	C	S	.	.			trans	-78.2	-2	-164.4	30.9	-37.4	0	0	0	115.7	W35 Y46 V69	W35-P79 HydrophobicContact CD2-CG 4.27Å; W35-P79 HydrophobicContact CE3-CG 3.96Å; W35-P79 HydrophobicContact CH2-CG 4.17Å; W35-P79 HydrophobicContact CZ2-CG 4.45Å; W35-P79 HydrophobicContact CZ3-CG 3.92Å; Y46-P79 HydrophobicContact CE1-CG 4.16Å; V69-P79 HydrophobicContact CG1-CB 3.95Å
80	W	60.3	Low	46.5	Very low	107 Å²	107	101.4 Å²	101.4	41%	0.405	56%	0.56	S	S	.	*			trans	-65.2	149.8	-169.3	59.2	77.3	0	0	0	114	R32 W35 K72 G78	R32-W80 HydrophobicContact CG-CD2 4.29Å; R32-W80 HydrophobicContact CG-CE3 4.39Å; W35-W80 AromaticContact CD1-CZ3 3.6Å; W35-W80 HydrophobicContact CG-CE3 4.44Å; W35-W80 HydrophobicContact CG-CZ3 4.33Å; K72-W80 PolarHBondContact NZ-O 3.11Å; G78-W80 VanDerWaalsContact C-N 3.29Å; G78-W80 PolarHBondContact O-N 3.01Å
81	T	35.4	Very low	44.3	Very low	109 Å²	109	107.9 Å²	107.9	67%	0.669	60%	0.604	S	S	*	*			trans	-84.8	166.6	173.2	43.5	0	0	0	0	111.7
82	L	33	Very low	42.2	Very low	169 Å²	169	107.9 Å²	107.9	89%	0.885	62%	0.617	S	S	*	*			trans	-109.4	108.2	174.5	-160.5	84.6	0	0	0	108.3	G84	L82-G84 PolarHBondContact O-N 3.32Å
83	E	31.5	Very low	40.4	Very low	189 Å²	189	113.3 Å²	113.3	88%	0.883	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-69.7	121.1	172.5	-68.8	-167.5	142.4	0	0	109.7
84	G	30	Very low	38.3	Very low	76 Å²	76	116.7 Å²	116.7	78%	0.784	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-88.5	138.5	177.7	0	0	0	0	0	111.9	L82	L82-G84 PolarHBondContact O-N 3.32Å
85	E	26.5	Very low	36.3	Very low	193 Å²	193	119.9 Å²	119.9	90%	0.902	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-79.9	163.6	-176.1	-63.6	-173.9	123.7	0	0	114.7
86	A	24.1	Very low	34.7	Very low	99 Å²	99	124 Å²	124	82%	0.818	71%	0.712	S	S	*	*			trans	87.8	154.6	157.4	0	0	0	0	0	118.7
87	P	31.8	Very low	33.2	Very low	125 Å²	125	124.3 Å²	124.3	81%	0.812	72%	0.715	S	S	*	*			cis	-118.6	176	-2.5	40.1	-27.6	0	0	0	114.8
88	H	27.7	Very low	31.5	Very low	189 Å²	189	126.9 Å²	126.9	88%	0.875	73%	0.731	S	S	*	*			trans	-58.5	135.1	173.1	-78.1	-99.6	0	0	0	113.6
89	Q	26.5	Very low	30.1	Very low	202 Å²	202	135.2 Å²	135.2	94%	0.944	76%	0.763	S	S	*	*			trans	-148.7	157.4	131.4	-126.2	166	0.4	0	0	111.9
90	S	24.6	Very low	29.1	Very low	107 Å²	107	140.1 Å²	140.1	75%	0.748	80%	0.795	S	S	*	*			trans	-114.1	150	-152.6	55.2	0	0	0	0	115
91	C	22.3	Very low	27.3	Very low	135 Å²	135	141 Å²	141	91%	0.912	82%	0.817	S	S	*	*			trans	-149.9	146.4	139.4	-124.4	0	0	0	0	112.4
92	S	27.1	Very low	26.9	Very low	107 Å²	107	144 Å²	144	75%	0.748	82%	0.823	S	S	*	*			trans	-90.6	178.1	-176.5	-25.5	0	0	0	0	111.3
93	D	26.9	Very low	26.5	Very low	144 Å²	144	145.8 Å²	145.8	77%	0.77	82%	0.824	S	S	*	*			cis	-157.5	162.1	-9	-144.4	-49.4	0	0	0	107.7
94	G	26	Very low	26.1	Very low	74 Å²	74	146.9 Å²	146.9	76%	0.763	82%	0.82	S	S	*	*			trans	167.3	114.3	176.5	0	0	0	0	0	114.8
95	K	26.7	Very low	25.9	Very low	164 Å²	164	151.6 Å²	151.6	71%	0.713	83%	0.826	S	S	*	*			trans	-106.7	164.3	-166	-68.3	178.6	-179.2	171.7	0	115
96	F	25.6	Very low	25.7	Very low	209 Å²	209	147 Å²	147	92%	0.917	81%	0.814	S	S	*	*			trans	75.8	138.2	167.1	-51.3	-80.8	0	0	0	116.6
97	G	23.8	Very low	25.7	Very low	65 Å²	65	146 Å²	146	67%	0.67	81%	0.814	S	S	*	*			cis	166.6	158.6	-10.5	0	0	0	0	0	114.8
98	I	25.3	Very low	25.5	Very low	177 Å²	177	149.2 Å²	149.2	91%	0.908	82%	0.815	S	S	*	*			trans	76.7	140.1	165.3	-59	176.3	0	0	0	117.2
99	K	23.1	Very low	25.4	Very low	190 Å²	190	145.1 Å²	145.1	83%	0.826	81%	0.808	S	S	*	*			trans	-107.7	-170.9	176.8	-61.8	178.5	178	177.4	0	109.6
100	P	32.8	Very low	25.3	Very low	113 Å²	113	140.8 Å²	140.8	73%	0.734	80%	0.796	S	S	*	*				-120.1	-168.6	-65.6	37.6	-22.9	0	0	0	110.2
101	S	22.6	Very low	25.2	Very low	126 Å²	126	143.7 Å²	143.7	88%	0.881	80%	0.802	S	S	*	*			trans	-150.1	106.1	153.3	-84.4	0	0	0	0	112.1
102	Q	26.8	Very low	25.4	Very low	171 Å²	171	144.9 Å²	144.9	80%	0.799	79%	0.793	S	S	*	*			trans	-76.2	144.6	162	-70.5	179.9	-22.3	0	0	109.3
103	K	24.5	Very low	25.3	Very low	206 Å²	206	145.2 Å²	145.2	90%	0.896	80%	0.796	S	S	*	*			trans	-133.1	98.3	155.9	-147.6	171.3	-170.6	177.1	0	109.7
104	R	23.2	Very low	25.5	Very low	213 Å²	213	146.5 Å²	146.5	80%	0.804	80%	0.797	S	S	*	*			trans	-65.3	141.1	168	-68.7	-178.2	-178.5	178.9	-0.1	108.9
105	I	25.4	Very low	25.4	Very low	175 Å²	175	151.5 Å²	151.5	90%	0.897	80%	0.803	S	S	*	*			trans	-119.5	140.1	138.4	-64.6	-177.1	0	0	0	106.1
106	S	23.8	Very low	25.7	Very low	95 Å²	95	153.2 Å²	153.2	66%	0.664	81%	0.814	S	S	*	*			trans	-118.3	118.2	-172.1	161.4	0	0	0	0	109.7
107	G	24	Very low	25.7	Very low	79 Å²	79	146.9 Å²	146.9	81%	0.814	81%	0.807	S	S	*	*			trans	-116.6	122.7	160	0	0	0	0	0	108.1
108	K	26.3	Very low	25.9	Very low	192 Å²	192	152.6 Å²	152.6	84%	0.835	82%	0.816	S	S	*	*			trans	-85.5	157.9	-177.5	-67	-177.1	169.8	-178.7	0	111.6
109	S	26.4	Very low	26.6	Very low	103 Å²	103	150.4 Å²	150.4	72%	0.72	81%	0.806	S	S	*	*			trans	-60.6	174.8	147.7	61.9	0	0	0	0	110.2
110	T	24.6	Very low	26.8	Very low	112 Å²	112	147.5 Å²	147.5	69%	0.687	81%	0.805	S	S	*	*			cis	-163.5	157.7	30.6	-45	0	0	0	0	107.1
111	L	21.5	Very low	26.9	Very low	168 Å²	168	151.2 Å²	151.2	88%	0.88	80%	0.804	S	S	*	*			trans	-163.8	136.8	131.6	-109.3	163.2	0	0	0	111.6
112	H	27.1	Very low	27.4	Very low	159 Å²	159	149.8 Å²	149.8	74%	0.736	79%	0.787	S	S	*	*			trans	-67.4	156.2	153.2	-93.5	-128.6	0	0	0	109
113	S	24	Very low	27.9	Very low	115 Å²	115	146.4 Å²	146.4	80%	0.804	77%	0.774	S	S	*	*			trans	-133.6	130.4	135.7	-166.2	0	0	0	0	107.6
114	E	32.6	Very low	28.5	Very low	170 Å²	170	140.2 Å²	140.2	79%	0.794	76%	0.757	S	S	*	*			trans	-71.5	153.5	157.5	-66.4	155.8	138.7	0	0	108.2
115	M	23	Very low	29.1	Very low	180 Å²	180	135 Å²	135	89%	0.887	74%	0.744	S	S	*	*			trans	-145.7	131.6	150.9	-91.6	-167	69.2	0	0	107.1
116	E	33.6	Very low	29.5	Very low	200 Å²	200	134.7 Å²	134.7	94%	0.935	73%	0.733	S	S	*	*			trans	-68.1	148	171.5	-60	178.4	130.4	0	0	109.6
117	G	26.2	Very low	30.1	Very low	75 Å²	75	133.4 Å²	133.4	77%	0.773	72%	0.724	S	S	*	*			trans	-143.3	118	179	0	0	0	0	0	109
118	E	27.6	Very low	30.7	Very low	186 Å²	186	133.6 Å²	133.6	87%	0.869	71%	0.705	S	S	*	*			trans	-63.7	152.7	-158.1	-67.9	165.9	108.3	0	0	115.6	T120	E118-T120 PolarHBondContact O-N 3.25Å
119	D	38.7	Very low	31.1	Very low	130 Å²	130	129.8 Å²	129.8	70%	0.695	69%	0.693	S	S	*	*			trans	-66.6	97.7	172.2	-177.8	7.8	0	0	0	110.8	R121	D119-R121 PolarHBondContact OD1-N 2.7Å; D119-R121 VanDerWaalsContact OD1-N 3.16Å
120	T	28.1	Very low	31.6	Very low	129 Å²	129	128.7 Å²	128.7	79%	0.791	68%	0.677	S	S	*	*			trans	-110.4	79.1	159	63.3	0	0	0	0	110	E118 D122	E118-T120 PolarHBondContact O-N 3.25Å; T120-D122 PolarHBondContact O-N 2.86Å
121	R	34.6	Very low	32.1	Very low	191 Å²	191	130.3 Å²	130.3	72%	0.721	68%	0.677	S	S	*	*			trans	-43.8	122.1	156.1	-85.6	170.5	157.7	165.5	-6.9	110.7	D119 D123	D119-R121 PolarHBondContact OD1-N 2.7Å; D119-R121 VanDerWaalsContact OD1-N 3.16Å; R121-D123 PolarHBondContact O-N 3.44Å
122	D	33.4	Very low	32.8	Very low	97 Å²	97	127.4 Å²	127.4	52%	0.519	66%	0.661	S	S	.	*			trans	-77.8	75.9	167.3	-171.3	0.3	0	0	0	109.1	T120 S124 L125 Y126	T120-D122 PolarHBondContact O-N 2.86Å; D122-S124 PolarHBondContact O-N 2.95Å; D122-S124 WeakPolarHBondContact OD1-CB 3.19Å; D122-S124 PolarHBondContact OD1-N 2.98Å; D122-L125 PolarHBondContact O-N 3.11Å; D122-L125 WeakPolarHBondContact OD2-CD1 3.44Å; D122-L125 WeakPolarHBondContact OD2-CG 3.26Å; D122-Y126 PolarHBondContact O-N 3.18Å
123	D	36.8	Very low	33.2	Very low	100 Å²	100	126.5 Å²	126.5	54%	0.535	65%	0.652	S	S	.	*	H	α-helix	trans	-59.1	-17.4	-179.2	-77.1	-22.6	0	0	0	112.5	R121 S127	R121-D123 PolarHBondContact O-N 3.44Å; D123-S127 VanDerWaalsContact O-CB 3.25Å; D123-S127 WeakPolarHBondContact O-CB 3.33Å; D123-S127 PolarHBondContact O-N 2.98Å; D123-S127 PolarHBondContact O-OG 2.88Å
124	S	37.9	Very low	33.8	Very low	76 Å²	76	126.3 Å²	126.3	53%	0.531	64%	0.638	S	S	.	*	H	α-helix	trans	-62.6	-47.5	170.3	-166.7	0	0	0	0	111.4	D122 I128	D122-S124 PolarHBondContact O-N 2.95Å; D122-S124 WeakPolarHBondContact OD1-CB 3.19Å; D122-S124 PolarHBondContact OD1-N 2.98Å; S124-I128 WeakPolarHBondContact O-CD1 3.48Å; S124-I128 VanDerWaalsContact O-CG1 3.3Å; S124-I128 WeakPolarHBondContact O-CG1 3.39Å; S124-I128 PolarHBondContact O-N 3.22Å; S124-I128 VanDerWaalsContact O-N 3.13Å
125	L	35.4	Very low	34	Very low	102 Å²	102	123.2 Å²	123.2	53%	0.534	63%	0.627	S	S	.	*	H	α-helix	trans	-71	-36.3	177.9	-76.7	176.1	0	0	0	112.4	D122 I128 L129	D122-L125 PolarHBondContact O-N 3.11Å; D122-L125 WeakPolarHBondContact OD2-CD1 3.44Å; D122-L125 WeakPolarHBondContact OD2-CG 3.26Å; L125-I128 PolarHBondContact O-N 2.9Å; L125-L129 PolarHBondContact O-N 3.29Å
126	Y	34.9	Very low	34.6	Very low	170 Å²	170	116.7 Å²	116.7	67%	0.667	60%	0.602	S	S	*	*	H	α-helix	trans	-68.8	-37.1	177.1	-144.9	-93.1	0	0	0	111.8	D122 L129 E130	D122-Y126 PolarHBondContact O-N 3.18Å; Y126-L129 WeakPolarHBondContact O-CB 3.39Å; Y126-L129 PolarHBondContact O-N 3.23Å; Y126-E130 PolarHBondContact O-N 2.69Å
127	S	35.4	Very low	34.9	Very low	68 Å²	68	110.5 Å²	110.5	48%	0.476	57%	0.573	S	S	.	*	H	α-helix	trans	-64.2	-41.7	174	-59.5	0	0	0	0	112.3	D123 L129 E130 E131	D123-S127 VanDerWaalsContact O-CB 3.25Å; D123-S127 WeakPolarHBondContact O-CB 3.33Å; D123-S127 PolarHBondContact O-N 2.98Å; D123-S127 PolarHBondContact O-OG 2.88Å; S127-L129 VanDerWaalsContact C-N 3.28Å; S127-L129 PolarHBondContact O-N 3.18Å; S127-E130 WeakPolarHBondContact O-CB 3.28Å; S127-E130 PolarHBondContact O-N 3.28Å; S127-E131 PolarHBondContact O-N 3.06Å
128	I	37	Very low	35.4	Very low	83 Å²	83	112 Å²	112	43%	0.426	56%	0.56	S	S	.	*	H	α-helix	trans	-64.4	-34	174.7	-68.1	165.2	0	0	0	111.1	S124 L125 L132	S124-I128 WeakPolarHBondContact O-CD1 3.48Å; S124-I128 VanDerWaalsContact O-CG1 3.3Å; S124-I128 WeakPolarHBondContact O-CG1 3.39Å; S124-I128 PolarHBondContact O-N 3.22Å; S124-I128 VanDerWaalsContact O-N 3.13Å; L125-I128 PolarHBondContact O-N 2.9Å; I128-L132 HydrophobicContact CG2-CD1 4Å; I128-L132 WeakPolarHBondContact O-CB 3.5Å; I128-L132 WeakPolarHBondContact O-CD1 3.44Å; I128-L132 WeakPolarHBondContact O-CG 3.32Å; I128-L132 PolarHBondContact O-N 3.43Å; I128-L132 VanDerWaalsContact O-N 3.14Å
129	L	34	Very low	36	Very low	111 Å²	111	107.8 Å²	107.8	58%	0.581	54%	0.542	S	S	*	.	H	α-helix	trans	-69.5	-35.5	173.2	-88.7	155.8	0	0	0	112.8	L125 Y126 S127 W133	L125-L129 PolarHBondContact O-N 3.29Å; Y126-L129 WeakPolarHBondContact O-CB 3.39Å; Y126-L129 PolarHBondContact O-N 3.23Å; S127-L129 VanDerWaalsContact C-N 3.28Å; S127-L129 PolarHBondContact O-N 3.18Å; L129-W133 VanDerWaalsContact O-CB 3.24Å; L129-W133 WeakPolarHBondContact O-CB 2.99Å; L129-W133 PolarHBondContact O-N 3.44Å
130	E	36.5	Very low	35.9	Very low	81 Å²	81	107.2 Å²	107.2	38%	0.379	53%	0.533	S	S	.	.	H	α-helix	trans	-65	-49.8	172.3	-107	-75.6	165.2	0	0	112.1	Y126 S127 L132 W133 Q134	Y126-E130 PolarHBondContact O-N 2.69Å; S127-E130 WeakPolarHBondContact O-CB 3.28Å; S127-E130 PolarHBondContact O-N 3.28Å; E130-L132 VanDerWaalsContact C-N 3.32Å; E130-L132 PolarHBondContact O-N 2.82Å; E130-W133 WeakPolarHBondContact O-CB 3.35Å; E130-W133 PolarHBondContact O-N 3.1Å; E130-Q134 WeakPolarHBondContact O-CG 3.5Å; E130-Q134 PolarHBondContact O-N 3.21Å; E130-Q134 PolarHBondContact OE2-NE2 3.05Å
131	E	37	Very low	36.3	Very low	145 Å²	145	106.4 Å²	106.4	68%	0.678	52%	0.516	S	S	*	.	H	α-helix	trans	-58.6	-44.6	176.9	-70.8	-169	153.2	0	0	111.5	S127 W133 Q134 D135	S127-E131 PolarHBondContact O-N 3.06Å; E131-W133 VanDerWaalsContact C-N 3.31Å; E131-W133 PolarHBondContact O-N 2.79Å; E131-Q134 PolarHBondContact O-N 2.99Å; E131-D135 PolarHBondContact O-N 3.06Å; E131-D135 VanDerWaalsContact O-N 3.07Å
132	L	34.7	Very low	36.4	Very low	107 Å²	107	101.1 Å²	101.1	56%	0.56	51%	0.507	S	S	*	.	H	α-helix	trans	-67.4	-28.4	175.9	-70.7	172	0	0	0	113.2	I128 E130 A136	I128-L132 HydrophobicContact CG2-CD1 4Å; I128-L132 WeakPolarHBondContact O-CB 3.5Å; I128-L132 WeakPolarHBondContact O-CD1 3.44Å; I128-L132 WeakPolarHBondContact O-CG 3.32Å; I128-L132 PolarHBondContact O-N 3.43Å; I128-L132 VanDerWaalsContact O-N 3.14Å; E130-L132 VanDerWaalsContact C-N 3.32Å; E130-L132 PolarHBondContact O-N 2.82Å; L132-A136 WeakPolarHBondContact O-CB 3.34Å; L132-A136 PolarHBondContact O-N 2.89Å
133	W	36.4	Very low	36.4	Very low	140 Å²	140	101.6 Å²	101.6	53%	0.53	51%	0.506	S	S	.	.	H	α-helix	trans	-71	-44.2	174.2	172.1	70.7	0	0	0	111.5	L129 E130 E131 A136 E137	L129-W133 VanDerWaalsContact O-CB 3.24Å; L129-W133 WeakPolarHBondContact O-CB 2.99Å; L129-W133 PolarHBondContact O-N 3.44Å; E130-W133 WeakPolarHBondContact O-CB 3.35Å; E130-W133 PolarHBondContact O-N 3.1Å; E131-W133 VanDerWaalsContact C-N 3.31Å; E131-W133 PolarHBondContact O-N 2.79Å; W133-A136 PolarHBondContact O-N 3.28Å; W133-E137 PolarHBondContact O-N 3.1Å
134	Q	35.6	Very low	36.6	Very low	111 Å²	111	101.8 Å²	101.8	52%	0.519	50%	0.504	S	S	.	.	H	α-helix	trans	-63.9	-42.5	176.7	-65	-175.2	34.8	0	0	111.6	E130 E131 E137 Q138	E130-Q134 WeakPolarHBondContact O-CG 3.5Å; E130-Q134 PolarHBondContact O-N 3.21Å; E130-Q134 PolarHBondContact OE2-NE2 3.05Å; E131-Q134 PolarHBondContact O-N 2.99Å; Q134-E137 PolarHBondContact O-N 2.59Å; Q134-Q138 WeakPolarHBondContact O-CG 3.33Å; Q134-Q138 PolarHBondContact O-N 3.11Å
135	D	37.9	Very low	36.7	Very low	105 Å²	105	105.4 Å²	105.4	56%	0.561	51%	0.51	S	S	*	.	H	α-helix	trans	-61.9	-44.8	172.6	-105.1	-0.9	0	0	0	112	E131 E137 Q138 I139	E131-D135 PolarHBondContact O-N 3.06Å; E131-D135 VanDerWaalsContact O-N 3.07Å; D135-E137 VanDerWaalsContact C-N 3.31Å; D135-E137 PolarHBondContact O-N 3.34Å; D135-Q138 PolarHBondContact O-N 2.85Å; D135-I139 VanDerWaalsContact O-CG1 3.29Å; D135-I139 WeakPolarHBondContact O-CG1 3.42Å; D135-I139 PolarHBondContact O-N 2.93Å
136	A	35.4	Very low	36.7	Very low	43 Å²	43	106.2 Å²	106.2	36%	0.355	51%	0.511	S	S	.	.	H	α-helix	trans	-62.3	-37.5	177.1	0	0	0	0	0	112.3	L132 W133 I139 K140	L132-A136 WeakPolarHBondContact O-CB 3.34Å; L132-A136 PolarHBondContact O-N 2.89Å; W133-A136 PolarHBondContact O-N 3.28Å; A136-I139 PolarHBondContact O-N 3.13Å; A136-K140 WeakPolarHBondContact O-CB 3.27Å; A136-K140 PolarHBondContact O-N 3.24Å
137	E	39	Very low	36.9	Very low	71 Å²	71	102.7 Å²	102.7	33%	0.332	50%	0.504	S	S	.	.	H	α-helix	trans	-74.3	-33.2	178.3	-150.4	-169.2	-128.3	0	0	112.4	W133 Q134 D135 K140 R141	W133-E137 PolarHBondContact O-N 3.1Å; Q134-E137 PolarHBondContact O-N 2.59Å; D135-E137 VanDerWaalsContact C-N 3.31Å; D135-E137 PolarHBondContact O-N 3.34Å; E137-K140 PolarHBondContact O-N 2.99Å; E137-R141 WeakPolarHBondContact O-CB 3.34Å; E137-R141 VanDerWaalsContact O-CG 3.3Å; E137-R141 WeakPolarHBondContact O-CG 3.45Å; E137-R141 PolarHBondContact O-N 3.03Å; E137-R141 IonicContact OE2-CZ 3.5Å; E137-R141 VanDerWaalsContact OE2-CZ 3.31Å; E137-R141 IonicContact OE2-NE 3.97Å; E137-R141 PolarHBondContact OE2-NE 3.43Å; E137-R141 IonicContact OE2-NH2 3.42Å; E137-R141 PolarHBondContact OE2-NH2 2.95Å
138	Q	37.5	Very low	37.1	Very low	106 Å²	106	107.3 Å²	107.3	50%	0.495	52%	0.515	S	S	.	.	H	α-helix	trans	-64.8	-41.8	169.1	-67.6	-72.3	11.3	0	0	111.6	Q134 D135 K140 R141 C142	Q134-Q138 WeakPolarHBondContact O-CG 3.33Å; Q134-Q138 PolarHBondContact O-N 3.11Å; D135-Q138 PolarHBondContact O-N 2.85Å; Q138-K140 VanDerWaalsContact C-N 3.34Å; Q138-K140 PolarHBondContact O-N 2.83Å; Q138-R141 PolarHBondContact O-N 3.19Å; Q138-C142 WeakPolarHBondContact O-CB 3.32Å; Q138-C142 PolarHBondContact O-N 3.2Å
139	I	40.8	Very low	37.1	Very low	97 Å²	97	108.8 Å²	108.8	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-60.5	-44.1	173.5	-70.2	164.7	0	0	0	110.5	D135 A136 C142 Q143	D135-I139 VanDerWaalsContact O-CG1 3.29Å; D135-I139 WeakPolarHBondContact O-CG1 3.42Å; D135-I139 PolarHBondContact O-N 2.93Å; A136-I139 PolarHBondContact O-N 3.13Å; I139-C142 WeakPolarHBondContact O-CB 3.44Å; I139-C142 PolarHBondContact O-N 3.24Å; I139-Q143 WeakPolarHBondContact O-CG 3.45Å; I139-Q143 PolarHBondContact O-N 3.08Å
140	K	35	Very low	37.3	Very low	118 Å²	118	108.3 Å²	108.3	51%	0.513	52%	0.521	S	S	.	.	H	α-helix	trans	-62.1	-47.4	175.9	-172.2	-179.6	175.8	-172	0	111.8	A136 E137 Q138 C142 Q143 E144	A136-K140 WeakPolarHBondContact O-CB 3.27Å; A136-K140 PolarHBondContact O-N 3.24Å; E137-K140 PolarHBondContact O-N 2.99Å; Q138-K140 VanDerWaalsContact C-N 3.34Å; Q138-K140 PolarHBondContact O-N 2.83Å; K140-C142 VanDerWaalsContact C-N 3.26Å; K140-C142 PolarHBondContact O-N 2.85Å; K140-Q143 PolarHBondContact O-N 3.33Å; K140-Q143 VanDerWaalsContact O-N 3.13Å; K140-E144 WeakPolarHBondContact CE-OE1 3.46Å; K140-E144 WeakPolarHBondContact O-CG 3.49Å; K140-E144 PolarHBondContact O-N 2.77Å
141	R	37.2	Very low	37.2	Very low	113 Å²	113	107.7 Å²	107.7	43%	0.426	53%	0.526	S	S	.	.	H	α-helix	trans	-60.7	-32.5	174.7	-72.7	-174.5	-116.8	178.2	2.5	112.4	E137 Q138 K145	E137-R141 WeakPolarHBondContact O-CB 3.34Å; E137-R141 VanDerWaalsContact O-CG 3.3Å; E137-R141 WeakPolarHBondContact O-CG 3.45Å; E137-R141 PolarHBondContact O-N 3.03Å; E137-R141 IonicContact OE2-CZ 3.5Å; E137-R141 VanDerWaalsContact OE2-CZ 3.31Å; E137-R141 IonicContact OE2-NE 3.97Å; E137-R141 PolarHBondContact OE2-NE 3.43Å; E137-R141 IonicContact OE2-NH2 3.42Å; E137-R141 PolarHBondContact OE2-NH2 2.95Å; Q138-R141 PolarHBondContact O-N 3.19Å; R141-K145 WeakPolarHBondContact O-CD 3.47Å; R141-K145 VanDerWaalsContact O-CG 3.25Å; R141-K145 WeakPolarHBondContact O-CG 3.35Å; R141-K145 PolarHBondContact O-N 3.09Å
142	C	35.7	Very low	37.1	Very low	79 Å²	79	106.3 Å²	106.3	53%	0.534	52%	0.519	S	S	.	.	H	α-helix	trans	-70.7	-45.1	171.2	-84.6	0	0	0	0	112.7	Q138 I139 K140 K145 Q146	Q138-C142 WeakPolarHBondContact O-CB 3.32Å; Q138-C142 PolarHBondContact O-N 3.2Å; I139-C142 WeakPolarHBondContact O-CB 3.44Å; I139-C142 PolarHBondContact O-N 3.24Å; K140-C142 VanDerWaalsContact C-N 3.26Å; K140-C142 PolarHBondContact O-N 2.85Å; C142-K145 PolarHBondContact O-N 3.18Å; C142-Q146 WeakPolarHBondContact O-CB 3.35Å; C142-Q146 PolarHBondContact O-N 3.05Å
143	Q	35.4	Very low	37.1	Very low	107 Å²	107	104.2 Å²	104.2	50%	0.5	51%	0.511	S	S	.	.	H	α-helix	trans	-64.9	-38.7	177.3	-72.5	179.7	6	0	0	112.2	I139 K140 Q146 N147	I139-Q143 WeakPolarHBondContact O-CG 3.45Å; I139-Q143 PolarHBondContact O-N 3.08Å; K140-Q143 PolarHBondContact O-N 3.33Å; K140-Q143 VanDerWaalsContact O-N 3.13Å; Q143-Q146 PolarHBondContact O-N 3.02Å; Q143-N147 VanDerWaalsContact O-CB 3.29Å; Q143-N147 WeakPolarHBondContact O-CB 3.49Å; Q143-N147 PolarHBondContact O-N 3.39Å; Q143-N147 PolarHBondContact O-ND2 3.46Å
144	E	39.2	Very low	37	Very low	105 Å²	105	100.6 Å²	100.6	49%	0.491	51%	0.507	S	S	.	.	H	α-helix	trans	-66.2	-39.1	175.6	-73.4	175.1	-171.9	0	0	112.3	K140 N147 K148	K140-E144 WeakPolarHBondContact CE-OE1 3.46Å; K140-E144 WeakPolarHBondContact O-CG 3.49Å; K140-E144 PolarHBondContact O-N 2.77Å; E144-N147 PolarHBondContact O-N 3.46Å; E144-K148 WeakPolarHBondContact O-CB 3.49Å; E144-K148 PolarHBondContact O-N 3.32Å
145	K	40.5	Very low	36.9	Very low	152 Å²	152	102.3 Å²	102.3	66%	0.661	51%	0.513	S	S	*	.	H	α-helix	trans	-62.7	-42.6	170.2	-74.4	169.2	-176.8	173.8	0	111.7	R141 C142 K148 L149	R141-K145 WeakPolarHBondContact O-CD 3.47Å; R141-K145 VanDerWaalsContact O-CG 3.25Å; R141-K145 WeakPolarHBondContact O-CG 3.35Å; R141-K145 PolarHBondContact O-N 3.09Å; C142-K145 PolarHBondContact O-N 3.18Å; K145-K148 PolarHBondContact O-N 2.89Å; K145-L149 PolarHBondContact O-N 3.02Å
146	Q	36.3	Very low	36.7	Very low	119 Å²	119	101.2 Å²	101.2	56%	0.556	51%	0.507	S	S	*	.	H	α-helix	trans	-67.9	-36.5	178.4	-165.5	171.2	17	0	0	112.3	C142 Q143 L149 L150	C142-Q146 WeakPolarHBondContact O-CB 3.35Å; C142-Q146 PolarHBondContact O-N 3.05Å; Q143-Q146 PolarHBondContact O-N 3.02Å; Q146-L149 WeakPolarHBondContact O-CB 3.24Å; Q146-L149 PolarHBondContact O-N 2.98Å; Q146-L150 PolarHBondContact O-N 3.12Å
147	N	37.8	Very low	36.7	Very low	96 Å²	96	103.7 Å²	103.7	51%	0.513	51%	0.514	S	S	.	.	H	α-helix	trans	-73.6	-35.4	176.2	-72	-24.9	0	0	0	112.4	Q143 E144 L149 L150 S151	Q143-N147 VanDerWaalsContact O-CB 3.29Å; Q143-N147 WeakPolarHBondContact O-CB 3.49Å; Q143-N147 PolarHBondContact O-N 3.39Å; Q143-N147 PolarHBondContact O-ND2 3.46Å; E144-N147 PolarHBondContact O-N 3.46Å; N147-L149 VanDerWaalsContact C-N 3.29Å; N147-L149 PolarHBondContact O-N 3.42Å; N147-L150 PolarHBondContact O-N 2.99Å; N147-S151 PolarHBondContact O-N 3.31Å; N147-S151 PolarHBondContact O-OG 3.02Å
148	K	40.2	Very low	36.4	Very low	165 Å²	165	107.4 Å²	107.4	72%	0.717	53%	0.529	S	S	*	.	H	α-helix	trans	-62.1	-35.7	166.9	-90	-176.2	172.9	176.7	0	112.3	E144 K145 S151 H152	E144-K148 WeakPolarHBondContact O-CB 3.49Å; E144-K148 PolarHBondContact O-N 3.32Å; K145-K148 PolarHBondContact O-N 2.89Å; K148-S151 PolarHBondContact O-OG 3.36Å; K148-S151 VanDerWaalsContact O-OG 3.08Å; K148-H152 WeakPolarHBondContact O-CB 3.36Å; K148-H152 PolarHBondContact O-N 3.37Å; K148-H152 VanDerWaalsContact O-N 3.11Å
149	L	36.6	Very low	36.2	Very low	114 Å²	114	109.3 Å²	109.3	60%	0.597	54%	0.536	S	S	*	.	H	α-helix	trans	-69.9	-39.9	174.9	-167.4	65	0	0	0	111.6	K145 Q146 N147 H152 T153	K145-L149 PolarHBondContact O-N 3.02Å; Q146-L149 WeakPolarHBondContact O-CB 3.24Å; Q146-L149 PolarHBondContact O-N 2.98Å; N147-L149 VanDerWaalsContact C-N 3.29Å; N147-L149 PolarHBondContact O-N 3.42Å; L149-H152 PolarHBondContact O-N 3.27Å; L149-T153 PolarHBondContact O-N 3.47Å; L149-T153 PolarHBondContact O-OG1 2.96Å
150	L	38	Very low	35.8	Very low	100 Å²	100	109.3 Å²	109.3	52%	0.524	54%	0.536	S	S	.	.	H	α-helix	trans	-67.6	-36.7	174.2	-105.1	72.2	0	0	0	113.5	Q146 N147 T153 S154	Q146-L150 PolarHBondContact O-N 3.12Å; N147-L150 PolarHBondContact O-N 2.99Å; L150-T153 WeakPolarHBondContact CA-OG1 3.38Å; L150-T153 PolarHBondContact O-OG1 3.15Å; L150-S154 WeakPolarHBondContact O-CB 3.2Å; L150-S154 PolarHBondContact O-N 2.82Å; L150-S154 PolarHBondContact O-OG 3.31Å
151	S	35.8	Very low	35.7	Very low	69 Å²	69	109.5 Å²	109.5	48%	0.483	54%	0.542	S	S	.	.	H	α-helix	trans	-69.1	-35.6	175	66.5	0	0	0	0	111.6	N147 K148 S154 F155	N147-S151 PolarHBondContact O-N 3.31Å; N147-S151 PolarHBondContact O-OG 3.02Å; K148-S151 PolarHBondContact O-OG 3.36Å; K148-S151 VanDerWaalsContact O-OG 3.08Å; S151-S154 WeakPolarHBondContact CA-OG 3.47Å; S151-S154 PolarHBondContact O-OG 3.07Å; S151-S154 VanDerWaalsContact O-OG 3.1Å; S151-F155 WeakPolarHBondContact O-CB 3.34Å; S151-F155 PolarHBondContact O-N 2.87Å
152	H	33.6	Very low	35.4	Very low	116 Å²	116	110.2 Å²	110.2	54%	0.537	55%	0.554	S	S	.	*	H	α-helix	trans	-67.7	-41.3	173.3	-159.4	-101.2	0	0	0	112.9	K148 L149 F155 L156	K148-H152 WeakPolarHBondContact O-CB 3.36Å; K148-H152 PolarHBondContact O-N 3.37Å; K148-H152 VanDerWaalsContact O-N 3.11Å; L149-H152 PolarHBondContact O-N 3.27Å; H152-F155 PolarHBondContact O-N 2.87Å; H152-L156 WeakPolarHBondContact O-CG 3.23Å; H152-L156 PolarHBondContact O-N 3.13Å
153	T	35.2	Very low	35.3	Very low	62 Å²	62	111.8 Å²	111.8	38%	0.38	56%	0.561	S	S	.	*	H	α-helix	trans	-71.8	-34.8	176.3	54.3	0	0	0	0	113	L149 L150 L156 N157	L149-T153 PolarHBondContact O-N 3.47Å; L149-T153 PolarHBondContact O-OG1 2.96Å; L150-T153 WeakPolarHBondContact CA-OG1 3.38Å; L150-T153 PolarHBondContact O-OG1 3.15Å; T153-L156 PolarHBondContact O-N 3.5Å; T153-N157 WeakPolarHBondContact O-CB 3.25Å; T153-N157 PolarHBondContact O-N 3.19Å; T153-N157 PolarHBondContact O-OD1 3.04Å
154	S	34.5	Very low	35.1	Very low	65 Å²	65	113.9 Å²	113.9	46%	0.455	57%	0.571	S	S	.	*	H	α-helix	trans	-69.7	-33.2	172.5	54.4	0	0	0	0	113	L150 S151 N157 K158	L150-S154 WeakPolarHBondContact O-CB 3.2Å; L150-S154 PolarHBondContact O-N 2.82Å; L150-S154 PolarHBondContact O-OG 3.31Å; S151-S154 WeakPolarHBondContact CA-OG 3.47Å; S151-S154 PolarHBondContact O-OG 3.07Å; S151-S154 VanDerWaalsContact O-OG 3.1Å; S154-N157 PolarHBondContact O-N 3.04Å; S154-K158 VanDerWaalsContact O-CB 3.3Å; S154-K158 WeakPolarHBondContact O-CB 3.24Å; S154-K158 PolarHBondContact O-N 3.33Å
155	F	33.2	Very low	34.6	Very low	146 Å²	146	120.2 Å²	120.2	64%	0.64	59%	0.591	S	S	*	*	H	α-helix	trans	-63.8	-43.5	170.4	-173.2	-99.7	0	0	0	111.7	S151 H152 K158 K159	S151-F155 WeakPolarHBondContact O-CB 3.34Å; S151-F155 PolarHBondContact O-N 2.87Å; H152-F155 PolarHBondContact O-N 2.87Å; F155-K158 PolarHBondContact O-N 3.42Å; F155-K159 PolarHBondContact O-N 3.28Å
156	L	34.3	Very low	34.1	Very low	83 Å²	83	120.1 Å²	120.1	44%	0.435	60%	0.597	S	S	.	*	H	α-helix	trans	-62.4	-47.9	173.3	-72.7	167.7	0	0	0	112.1	H152 T153 K158 K159 I160	H152-L156 WeakPolarHBondContact O-CG 3.23Å; H152-L156 PolarHBondContact O-N 3.13Å; T153-L156 PolarHBondContact O-N 3.5Å; L156-K158 VanDerWaalsContact C-N 3.31Å; L156-K158 PolarHBondContact O-N 3.16Å; L156-K159 WeakPolarHBondContact O-CA 3.33Å; L156-K159 WeakPolarHBondContact O-CB 3.4Å; L156-K159 PolarHBondContact O-N 3.27Å; L156-I160 WeakPolarHBondContact O-CG1 3.16Å; L156-I160 PolarHBondContact O-N 3.07Å
157	N	34.3	Very low	33.6	Very low	95 Å²	95	124.7 Å²	124.7	51%	0.508	61%	0.611	S	S	.	*	H	α-helix	trans	-63	-35.8	178.5	-70.1	-8	0	0	0	112.5	T153 S154 K159 I160 L161	T153-N157 WeakPolarHBondContact O-CB 3.25Å; T153-N157 PolarHBondContact O-N 3.19Å; T153-N157 PolarHBondContact O-OD1 3.04Å; S154-N157 PolarHBondContact O-N 3.04Å; N157-K159 VanDerWaalsContact C-N 3.3Å; N157-I160 PolarHBondContact O-N 3.21Å; N157-L161 PolarHBondContact O-N 3.4Å
158	K	34.3	Very low	33	Very low	148 Å²	148	128.5 Å²	128.5	64%	0.643	63%	0.626	S	S	*	*	H	α-helix	trans	-69.8	-27	173.8	-166	173.6	-176	-178.9	0	112.4	S154 F155 L156 N162	S154-K158 VanDerWaalsContact O-CB 3.3Å; S154-K158 WeakPolarHBondContact O-CB 3.24Å; S154-K158 PolarHBondContact O-N 3.33Å; F155-K158 PolarHBondContact O-N 3.42Å; L156-K158 VanDerWaalsContact C-N 3.31Å; L156-K158 PolarHBondContact O-N 3.16Å; K158-N162 PolarHBondContact O-N 2.85Å; K158-N162 PolarHBondContact O-OD1 3.22Å
159	K	31.6	Very low	32.3	Very low	147 Å²	147	130.8 Å²	130.8	64%	0.639	63%	0.631	S	S	*	*	H	α-helix	trans	-74.1	-35.5	171.8	-161.9	174.8	-177	-178.3	0	112.1	F155 L156 N157 T163	F155-K159 PolarHBondContact O-N 3.28Å; L156-K159 WeakPolarHBondContact O-CA 3.33Å; L156-K159 WeakPolarHBondContact O-CB 3.4Å; L156-K159 PolarHBondContact O-N 3.27Å; N157-K159 VanDerWaalsContact C-N 3.3Å; K159-T163 PolarHBondContact O-OG1 2.89Å
160	I	34.2	Very low	31.7	Very low	97 Å²	97	133.5 Å²	133.5	50%	0.497	64%	0.638	S	S	.	*	H	α-helix	trans	-68.9	-46.1	176.2	-66.4	164	0	0	0	111.4	L156 N157 N162 T163	L156-I160 WeakPolarHBondContact O-CG1 3.16Å; L156-I160 PolarHBondContact O-N 3.07Å; N157-I160 PolarHBondContact O-N 3.21Å; I160-N162 PolarHBondContact O-N 2.96Å; I160-T163 PolarHBondContact O-N 3.49Å; I160-T163 PolarHBondContact O-OG1 3.41Å
161	L	32.6	Very low	31.1	Very low	122 Å²	122	134.3 Å²	134.3	64%	0.639	64%	0.643	S	S	*	*	H	α-helix	trans	-62.1	-23.4	177.2	-83.9	162.7	0	0	0	113.8	N157 T163	N157-L161 PolarHBondContact O-N 3.4Å; L161-T163 VanDerWaalsContact C-N 3.33Å
162	N	30	Very low	30.7	Very low	127 Å²	127	138.7 Å²	138.7	68%	0.679	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	4.1	176.9	-78	24.7	0	0	0	113.5	K158 I160	K158-N162 PolarHBondContact O-N 2.85Å; K158-N162 PolarHBondContact O-OD1 3.22Å; I160-N162 PolarHBondContact O-N 2.96Å
163	T	34.1	Very low	30.2	Very low	112 Å²	112	136 Å²	136	69%	0.687	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	11	-178.9	45.7	0	0	0	0	114.4	K159 I160 L161	K159-T163 PolarHBondContact O-OG1 2.89Å; I160-T163 PolarHBondContact O-N 3.49Å; I160-T163 PolarHBondContact O-OG1 3.41Å; L161-T163 VanDerWaalsContact C-N 3.33Å
164	E	32.1	Very low	29.8	Very low	151 Å²	151	140 Å²	140	71%	0.706	68%	0.683	S	S	*	*	S	Bend	trans	-118.8	13.9	-173.1	-111.5	178.4	177.4	0	0	114.2
165	W	28.7	Very low	29.2	Very low	239 Å²	239	145.9 Å²	145.9	91%	0.905	70%	0.7	S	S	*	*			trans	-134.7	37	-173.7	-98.9	72.6	0	0	0	114.6
166	D	28.5	Very low	28.8	Very low	150 Å²	150	145 Å²	145	80%	0.802	71%	0.706	S	S	*	*			trans	-123.4	150.9	163.5	-85.7	-57.3	0	0	0	109.5
167	Y	25.6	Very low	28.3	Very low	214 Å²	214	149.4 Å²	149.4	84%	0.839	72%	0.724	S	S	*	*			trans	69.3	127.6	-161.9	-62.1	-89.9	0	0	0	114.3
168	E	26	Very low	28	Very low	177 Å²	177	150.3 Å²	150.3	83%	0.827	74%	0.735	S	S	*	*			cis	-147.6	172	-4.7	-155.2	165	-132.2	0	0	110.9
169	Y	24.8	Very low	27.4	Very low	213 Å²	213	148 Å²	148	84%	0.835	74%	0.738	S	S	*	*			trans	-119.6	171.4	-161.9	-149.7	-93.5	0	0	0	112.6
170	K	25.1	Very low	27.7	Very low	171 Å²	171	146.1 Å²	146.1	74%	0.743	74%	0.741	S	S	*	*			trans	88.6	145.2	172.3	-59.8	-178.6	-179.8	-179.7	0	116.5
171	D	25.6	Very low	27.2	Very low	117 Å²	117	148.7 Å²	148.7	63%	0.626	76%	0.756	S	S	*	*			cis	-151.6	154.8	-1.3	-117.2	-24.5	0	0	0	113
172	I	26.1	Very low	26.8	Very low	160 Å²	160	151.1 Å²	151.1	82%	0.821	77%	0.768	S	S	*	*			trans	49.4	130.3	150.7	-54.7	158.9	0	0	0	119.3
173	G	24.1	Very low	26.6	Very low	61 Å²	61	152.8 Å²	152.8	63%	0.629	78%	0.776	S	S	*	*			cis	161.7	154.2	-6.4	0	0	0	0	0	114.9
174	N	26.2	Very low	26	Very low	146 Å²	146	155.3 Å²	155.3	78%	0.781	78%	0.784	S	S	*	*			trans	66.7	118.1	154.9	-68.3	-8.8	0	0	0	123.8
175	F	22.9	Very low	25.6	Very low	188 Å²	188	153.3 Å²	153.3	83%	0.825	79%	0.787	S	S	*	*			trans	49.5	133.9	137.8	-67	-87.6	0	0	0	120.8
176	V	23.1	Very low	25.5	Very low	127 Å²	127	150.8 Å²	150.8	77%	0.77	79%	0.785	S	S	*	*				-163	144.6	75.8	150.6	0	0	0	0	111.6
177	H	25.1	Very low	25.4	Very low	175 Å²	175	153.3 Å²	153.3	81%	0.81	79%	0.789	S	S	*	*			trans	-102.3	145.9	158.6	-94.8	-75.2	0	0	0	109.4
178	P	26.4	Very low	25.3	Very low	114 Å²	114	153.8 Å²	153.8	74%	0.74	79%	0.789	S	S	*	*				-138.9	165.8	111.1	38.1	-27.6	0	0	0	114.6
179	S	21.9	Very low	25.3	Very low	101 Å²	101	150.8 Å²	150.8	71%	0.706	79%	0.785	S	S	*	*			trans	-99.3	-160.9	172.1	-58.6	0	0	0	0	110.2
180	P	38.3	Very low	25.3	Very low	106 Å²	106	148.7 Å²	148.7	69%	0.688	78%	0.783	S	S	*	*				-119	-164.3	-87.2	39.3	-25.2	0	0	0	112.8
181	N	23.5	Very low	25.3	Very low	151 Å²	151	150.1 Å²	150.1	81%	0.807	79%	0.789	S	S	*	*			trans	91	114.3	172.4	-51.3	-52.4	0	0	0	117.2
182	L	25.3	Very low	25.2	Very low	174 Å²	174	155.3 Å²	155.3	91%	0.911	80%	0.799	S	S	*	*				-157	160.1	127.4	-110.9	170.6	0	0	0	109.9
183	I	25.1	Very low	25.1	Very low	162 Å²	162	155 Å²	155	83%	0.831	80%	0.8	S	S	*	*			trans	-85.9	141.5	-158.1	-67.4	172	0	0	0	113.3
184	L	22.6	Very low	25.3	Very low	164 Å²	164	157 Å²	157	86%	0.859	80%	0.804	S	S	*	*			trans	-67.4	130.8	177.6	-179	69	0	0	0	112.4
185	S	23.2	Very low	25.2	Very low	109 Å²	109	160 Å²	160	76%	0.762	81%	0.81	S	S	*	*			trans	-131.3	161.1	160.4	70.8	0	0	0	0	111.3
186	Q	27.2	Very low	25.2	Very low	186 Å²	186	154 Å²	154	87%	0.869	80%	0.803	S	S	*	*			trans	-88.6	133.4	-152.7	-58	173.6	2.3	0	0	114.8
187	K	24.8	Very low	25.4	Very low	204 Å²	204	157.7 Å²	157.7	89%	0.887	81%	0.808	S	S	*	*			trans	-166.5	128.5	139.7	-104.7	146.9	-172.1	172.1	0	111.6	P189	K187-P189 WeakPolarHBondContact O-CD 3.25Å
188	R	24.6	Very low	25.4	Very low	223 Å²	223	154.2 Å²	154.2	84%	0.842	80%	0.803	S	S	*	*			trans	-82.1	131.4	176.6	-70.5	-179.5	178.7	166.2	0.4	111.6
189	P	24.8	Very low	25.3	Very low	115 Å²	115	155.5 Å²	155.5	75%	0.747	80%	0.798	S	S	*	*			trans	-103.2	112.3	156.6	31.7	-21.5	0	0	0	110.5	K187 K191	K187-P189 WeakPolarHBondContact O-CD 3.25Å; P189-K191 PolarHBondContact O-N 3.27Å
190	H	24.8	Very low	25.4	Very low	169 Å²	169	158.6 Å²	158.6	78%	0.782	80%	0.798	S	S	*	*			trans	-70	101	169.4	-83.8	-81.6	0	0	0	110
191	K	26.1	Very low	24.8	Very low	200 Å²	200	161.8 Å²	161.8	87%	0.87	80%	0.803	S	S	*	*			trans	-75.6	152.3	165.1	-87.2	-172	174.1	-179.2	0	111.3	P189	P189-K191 PolarHBondContact O-N 3.27Å
192	R	23.5	Very low	24.9	Very low	226 Å²	226	160.3 Å²	160.3	85%	0.853	80%	0.796	S	S	*	*			trans	-133.5	89	-158.7	174.7	-155.9	-171	-179.1	5.1	108.5
193	D	24.6	Very low	24.9	Very low	154 Å²	154	158.2 Å²	158.2	82%	0.824	79%	0.785	S	S	*	*			trans	-88	122.3	-179.8	-76.5	-57	0	0	0	112.7
194	S	27.1	Very low	24.9	Very low	104 Å²	104	156.9 Å²	156.9	73%	0.727	78%	0.779	S	S	*	*			trans	-108.2	94	-174.1	56.2	0	0	0	0	111.5
195	F	24.6	Very low	25.2	Very low	207 Å²	207	153.2 Å²	153.2	91%	0.908	76%	0.76	S	S	*	*			trans	-112.6	105.8	164.4	-85.9	-82.7	0	0	0	111.1
196	G	23	Very low	25.3	Very low	64 Å²	64	155.4 Å²	155.4	66%	0.66	76%	0.758	S	S	*	*			trans	-101.8	155.3	-179.7	0	0	0	0	0	113.2
197	K	26.8	Very low	25.2	Very low	204 Å²	204	152.3 Å²	152.3	89%	0.887	75%	0.746	S	S	*	*			trans	67.8	122.1	176.2	-46.3	174.4	-177.4	175.7	0	112.2
198	S	24.2	Very low	25.4	Very low	101 Å²	101	150 Å²	150	71%	0.706	74%	0.738	S	S	*	*			cis	-164	133.1	38.1	-63.3	0	0	0	0	113.4
199	F	24.2	Very low	25.4	Very low	142 Å²	142	146.2 Å²	146.2	62%	0.623	73%	0.734	S	S	*	*			trans	-154.6	117.1	136.5	-107.9	-71.6	0	0	0	109.8	K421	F199-K421 HydrophobicContact CE2-CD 4.03Å; F199-K421 HydrophobicContact CZ-CD 3.98Å
200	K	24.7	Very low	25.5	Very low	165 Å²	165	150.5 Å²	150.5	72%	0.717	74%	0.742	S	S	*	*			trans	-96.3	101.5	177	-166.2	-177.8	-176.1	-174.3	0	107.2	N202	K200-N202 PolarHBondContact O-N 3.09Å; K200-N202 VanDerWaalsContact O-N 3.07Å
201	H	26.3	Very low	25.6	Very low	173 Å²	173	147.9 Å²	147.9	80%	0.801	74%	0.742	S	S	*	*			trans	-74.5	95.6	175.5	-105.1	-86.5	0	0	0	109.6	L203	H201-L203 PolarHBondContact O-N 3.5Å; H201-L203 VanDerWaalsContact O-N 3.14Å
202	N	25.2	Very low	25.5	Very low	121 Å²	121	146 Å²	146	65%	0.647	74%	0.742	S	S	*	*			trans	-73.5	97.1	160.9	-73.9	5.8	0	0	0	107.8	K200	K200-N202 PolarHBondContact O-N 3.09Å; K200-N202 VanDerWaalsContact O-N 3.07Å
203	L	26.4	Very low	25.5	Very low	129 Å²	129	140.1 Å²	140.1	68%	0.675	74%	0.741	S	S	*	*			trans	-123.9	69.2	163.2	-175	67.2	0	0	0	107.5	H201 L205	H201-L203 PolarHBondContact O-N 3.5Å; H201-L203 VanDerWaalsContact O-N 3.14Å; L203-L205 VanDerWaalsContact C-N 3.28Å; L203-L205 HydrophobicContact CD1-CD1 4.31Å; L203-L205 HydrophobicContact CG-CD1 4.41Å; L203-L205 PolarHBondContact O-N 3.41Å
204	D	25.1	Very low	25.6	Very low	134 Å²	134	137.2 Å²	137.2	72%	0.717	74%	0.739	S	S	*	*			trans	-72.3	84.3	175.9	-75.3	-55.8	0	0	0	109.9	H206	D204-H206 PolarHBondContact O-N 3.5Å
205	L	27.4	Very low	25.7	Very low	88 Å²	88	141.6 Å²	141.6	46%	0.461	75%	0.745	S	S	.	*			trans	-78.1	66	173.6	-138.7	86.1	0	0	0	110.4	L203 I207 I463	L203-L205 VanDerWaalsContact C-N 3.28Å; L203-L205 HydrophobicContact CD1-CD1 4.31Å; L203-L205 HydrophobicContact CG-CD1 4.41Å; L203-L205 PolarHBondContact O-N 3.41Å; L205-I207 PolarHBondContact O-N 3.24Å; L205-I207 VanDerWaalsContact O-N 3.15Å; L205-I463 HydrophobicContact CD1-CD1 3.88Å; L205-I463 HydrophobicContact CD2-CD1 3.94Å; L205-I463 HydrophobicContact CD2-CG1 4.37Å; L205-I463 HydrophobicContact CG-CD1 4Å
206	H	26.4	Very low	25.7	Very low	154 Å²	154	139.8 Å²	139.8	71%	0.713	75%	0.745	S	S	*	*			trans	-79.1	96.4	176	-124.3	81.4	0	0	0	110.3	D204 H208	D204-H206 PolarHBondContact O-N 3.5Å; H206-H208 PolarHBondContact O-N 2.95Å; H206-H208 VanDerWaalsContact O-N 3.07Å
207	I	25.5	Very low	25.8	Very low	121 Å²	121	144.5 Å²	144.5	62%	0.621	75%	0.754	S	S	*	*			trans	-69.5	101.9	168.8	-59	174.9	0	0	0	107.4	L205	L205-I207 PolarHBondContact O-N 3.24Å; L205-I207 VanDerWaalsContact O-N 3.15Å
208	H	27.2	Very low	25.8	Very low	157 Å²	157	140.2 Å²	140.2	73%	0.727	74%	0.741	S	S	*	*			trans	-103.4	107.3	172.6	-136.5	-62.5	0	0	0	109.7	H206 K210	H206-H208 PolarHBondContact O-N 2.95Å; H206-H208 VanDerWaalsContact O-N 3.07Å; H208-K210 PolarHBondContact O-N 3.31Å
209	N	26.1	Very low	26	Very low	142 Å²	142	143.2 Å²	143.2	76%	0.759	74%	0.741	S	S	*	*			trans	-60.2	133.9	162.1	-80.1	8.6	0	0	0	108.5
210	K	26.1	Very low	25.9	Very low	206 Å²	206	142.6 Å²	142.6	90%	0.896	75%	0.749	S	S	*	*			trans	-136.5	133.9	153.3	-141.6	175.8	-175.7	-176.9	0	106.9	H208	H208-K210 PolarHBondContact O-N 3.31Å
211	S	27.2	Very low	26	Very low	113 Å²	113	142.3 Å²	142.3	79%	0.79	75%	0.753	S	S	*	*			trans	-81.9	158.2	-155.9	-50.8	0	0	0	0	114.4
212	N	24.2	Very low	25.8	Very low	161 Å²	161	137.7 Å²	137.7	86%	0.861	75%	0.753	S	S	*	*			trans	-66.8	172.4	150.6	-82.8	-28.3	0	0	0	110.8
213	A	24	Very low	25.8	Very low	102 Å²	102	141 Å²	141	84%	0.843	76%	0.764	S	S	*	*			trans	76.8	127.4	-175.4	0	0	0	0	0	114.3
214	A	25.8	Very low	25.7	Very low	94 Å²	94	138.2 Å²	138.2	78%	0.777	77%	0.767	S	S	*	*			cis	-151.5	158.6	-5.9	0	0	0	0	0	112.4
215	K	29	Very low	25.8	Very low	195 Å²	195	140.3 Å²	140.3	85%	0.848	77%	0.772	S	S	*	*			trans	-75.1	135.7	149.3	-66	177.6	178.1	179.6	0	107.5
216	N	25.5	Very low	25.7	Very low	170 Å²	170	142.3 Å²	142.3	91%	0.909	79%	0.788	S	S	*	*			trans	-168.5	144.4	135.5	-95.8	-14.3	0	0	0	109.1
217	L	24.8	Very low	25.5	Very low	163 Å²	163	143 Å²	143	85%	0.853	79%	0.789	S	S	*	*			trans	-146.1	104.2	-175.4	176.3	91.4	0	0	0	107.9
218	D	27.3	Very low	25.4	Very low	114 Å²	114	141.9 Å²	141.9	61%	0.61	79%	0.788	S	S	*	*				-169.6	164.2	127.4	-125.6	-25.5	0	0	0	113
219	K	27.2	Very low	25.3	Very low	163 Å²	163	142.4 Å²	142.4	71%	0.709	79%	0.791	S	S	*	*			trans	10.9	152	154.7	-64.2	144.7	-164.5	144.7	0	120.3
220	T	23.7	Very low	25.2	Very low	129 Å²	129	140.5 Å²	140.5	79%	0.791	79%	0.789	S	S	*	*			cis	-154.9	167.4	33.7	-31.1	0	0	0	0	114.2
221	I	25.1	Very low	25.1	Very low	159 Å²	159	136.1 Å²	136.1	82%	0.815	78%	0.784	S	S	*	*			trans	-56.1	150	177.1	-60.8	151	0	0	0	114.5
222	G	23.6	Very low	25	Very low	77 Å²	77	135 Å²	135	79%	0.794	78%	0.776	S	S	*	*			trans	-178.5	121	165.5	0	0	0	0	0	116.5
223	H	25	Very low	25.1	Very low	189 Å²	189	137.1 Å²	137.1	88%	0.875	77%	0.773	S	S	*	*			trans	-62.5	168.4	-172.4	-87.5	-117.5	0	0	0	120
224	G	24.4	Very low	25.2	Very low	71 Å²	71	139.2 Å²	139.2	73%	0.732	77%	0.77	S	S	*	*			trans	108.8	106	159.9	0	0	0	0	0	114.2
225	Q	25.7	Very low	25	Very low	179 Å²	179	141.5 Å²	141.5	84%	0.836	77%	0.765	S	S	*	*			cis	79.5	108.3	28.9	-141.1	-175	25.4	0	0	115.4
226	V	25.8	Very low	24.9	Very low	129 Å²	129	141.2 Å²	141.2	78%	0.782	77%	0.766	S	S	*	*			trans	172.2	108.7	157.1	146	0	0	0	0	105.6
227	F	22.6	Very low	24.8	Very low	170 Å²	170	139.3 Å²	139.3	75%	0.746	75%	0.751	S	S	*	*				54.7	128.2	91.7	-81.9	-102.8	0	0	0	114.1
228	T	23.3	Very low	24.9	Very low	97 Å²	97	137.9 Å²	137.9	60%	0.595	75%	0.745	S	S	*	*			cis	-154.8	-153	-10.8	2.3	0	0	0	0	106.8
229	Q	25.2	Very low	24.8	Very low	167 Å²	167	137.8 Å²	137.8	78%	0.78	75%	0.749	S	S	*	*			cis	-144.5	-170	6.6	-135	115.2	-15.1	0	0	109.8
230	S	23.6	Very low	24.6	Very low	103 Å²	103	138.2 Å²	138.2	72%	0.72	75%	0.753	S	S	*	*			trans	-160.6	130.6	-136.7	51.1	0	0	0	0	117.5
231	S	25.2	Very low	24.7	Very low	113 Å²	113	138.6 Å²	138.6	79%	0.79	76%	0.755	S	S	*	*			trans	-146.8	124.3	156.4	56.5	0	0	0	0	109.1
232	S	25.1	Very low	24.7	Very low	89 Å²	89	134.8 Å²	134.8	62%	0.622	76%	0.755	S	S	*	*			cis	60.5	131.7	45.2	82.8	0	0	0	0	112.7
233	Y	24.7	Very low	24.7	Very low	206 Å²	206	137.8 Å²	137.8	81%	0.808	76%	0.758	S	S	*	*			cis	-127.1	175	13.4	-73.4	-104	0	0	0	110.6
234	N	26.2	Very low	24.7	Very low	147 Å²	147	138.4 Å²	138.4	79%	0.786	76%	0.758	S	S	*	*			cis	-144.6	161.2	2.3	-143.8	-13.6	0	0	0	111
235	H	22.5	Very low	24.6	Very low	142 Å²	142	144.9 Å²	144.9	66%	0.657	77%	0.766	S	S	*	*			trans	-106.3	154.6	179.8	-133.9	-83.9	0	0	0	111.8	E237	H235-E237 WeakPolarHBondContact ND1-CG 3.32Å
236	H	25.8	Very low	24.4	Very low	188 Å²	188	141.5 Å²	141.5	87%	0.87	76%	0.761	S	S	*	*			trans	-144.1	120.4	147.5	-131.2	-67.3	0	0	0	109.4
237	E	24.7	Very low	24.3	Very low	130 Å²	130	142.3 Å²	142.3	61%	0.607	76%	0.756	S	S	*	*			trans	-88.6	160.9	171.2	-51.9	175.5	128.7	0	0	107.6	H235	H235-E237 WeakPolarHBondContact ND1-CG 3.32Å
238	N	26.1	Very low	24.4	Very low	133 Å²	133	143.1 Å²	143.1	71%	0.711	75%	0.754	S	S	*	*			cis	-164.1	169.6	45.6	-94.2	-59	0	0	0	108.5
239	T	24.4	Very low	24.6	Very low	113 Å²	113	146.6 Å²	146.6	69%	0.693	77%	0.77	S	S	*	*			cis	-152.8	173.8	3	-2.2	0	0	0	0	109.9
240	H	24.3	Very low	24.7	Very low	171 Å²	171	146.9 Å²	146.9	79%	0.792	77%	0.771	S	S	*	*			trans	-30.8	151.1	170.2	-51.9	-76.6	0	0	0	117.1
241	T	26.1	Very low	24.7	Very low	137 Å²	137	148.5 Å²	148.5	84%	0.84	78%	0.78	S	S	*	*				-160.3	150.2	55.2	47.9	0	0	0	0	116.5
242	G	24.7	Very low	24.7	Very low	79 Å²	79	146.8 Å²	146.8	81%	0.814	78%	0.781	S	S	*	*			trans	62.2	85.3	134.1	0	0	0	0	0	120.6
243	V	23.8	Very low	24.8	Very low	140 Å²	140	152.3 Å²	152.3	85%	0.848	79%	0.794	S	S	*	*			trans	-93.6	124.3	167.3	178.9	0	0	0	0	111.6
244	K	24.7	Very low	24.7	Very low	202 Å²	202	148.6 Å²	148.6	88%	0.878	79%	0.792	S	S	*	*			trans	-133	147.5	156.2	-88.5	-173.2	176.7	177.3	0	109.8
245	F	21.3	Very low	24.6	Very low	207 Å²	207	149.2 Å²	149.2	91%	0.908	80%	0.795	S	S	*	*			trans	-67.9	139.7	-178.5	-82.7	-119.4	0	0	0	112.5
246	C	21.9	Very low	24.7	Very low	108 Å²	108	148.2 Å²	148.2	73%	0.73	80%	0.804	S	S	*	*				-162.3	154.3	113	-152.9	0	0	0	0	113.1
247	E	23.7	Very low	24.6	Very low	147 Å²	147	147.1 Å²	147.1	69%	0.687	80%	0.803	S	S	*	*			trans	79.4	155.4	141.8	-117	174.9	-99.1	0	0	124.1
248	R	26.3	Very low	24.5	Very low	186 Å²	186	150.9 Å²	150.9	70%	0.702	82%	0.818	S	S	*	*			trans	74.5	81.4	157.3	-151.1	159.4	-62	173.5	7.8	119.2	Q250	R248-Q250 HydrophobicContact CG-CG 4.34Å; R248-Q250 PolarHBondContact O-N 2.89Å
249	N	26	Very low	24.4	Very low	171 Å²	171	154.9 Å²	154.9	91%	0.914	82%	0.823	S	S	*	*			trans	-54.9	131.8	151.1	-68.2	-32	0	0	0	110.4
250	Q	26.9	Very low	24.3	Very low	172 Å²	172	155 Å²	155	80%	0.804	83%	0.828	S	S	*	*			trans	-120.1	161.2	163	-73.9	-166.5	-9.4	0	0	110.7	R248	R248-Q250 HydrophobicContact CG-CG 4.34Å; R248-Q250 PolarHBondContact O-N 2.89Å
251	C	25.2	Very low	24.1	Very low	137 Å²	137	153.2 Å²	153.2	93%	0.926	82%	0.824	S	S	*	*			trans	-76.9	145.1	-177.5	-63.5	0	0	0	0	112.9
252	G	23.6	Very low	24	Very low	78 Å²	78	151.2 Å²	151.2	80%	0.804	82%	0.815	S	S	*	*			trans	-145.5	105.2	165.2	0	0	0	0	0	110.7
253	K	28	Very low	24	Very low	205 Å²	205	155.9 Å²	155.9	89%	0.891	82%	0.816	S	S	*	*			trans	-81.1	155.9	164.1	-67.6	175.2	178.6	173	0	108.4
254	V	23.2	Very low	23.8	Very low	128 Å²	128	156.5 Å²	156.5	78%	0.776	82%	0.815	S	S	*	*				-179.6	128.6	122.4	144.2	0	0	0	0	111
255	L	23.7	Very low	23.8	Very low	159 Å²	159	153.6 Å²	153.6	83%	0.832	81%	0.813	S	S	*	*			trans	31.1	141	144.7	-49.4	178.8	0	0	0	119.9
256	S	24.4	Very low	23.9	Very low	122 Å²	122	153.1 Å²	153.1	85%	0.853	81%	0.811	S	S	*	*				-153.3	149.3	52.5	54.3	0	0	0	0	116.1
257	L	23.1	Very low	24	Very low	164 Å²	164	157.3 Å²	157.3	86%	0.859	82%	0.817	S	S	*	*			trans	-121.3	135.5	166.5	-179	65.9	0	0	0	107.2
258	K	24.3	Very low	24.1	Very low	210 Å²	210	155.9 Å²	155.9	91%	0.913	82%	0.821	S	S	*	*			trans	-73.9	152.4	176.2	-87.6	-171.9	173.9	-176.8	0	111.5
259	R	23.1	Very low	24	Very low	216 Å²	216	154.9 Å²	154.9	82%	0.815	83%	0.828	S	S	*	*			trans	-109.4	140.6	-164.8	-175.9	-170.7	-162.3	175.9	6.1	111.2	L261	R259-L261 HydrophobicContact CG-CD1 4.01Å
260	S	22.8	Very low	23.8	Very low	116 Å²	116	150.2 Å²	150.2	81%	0.811	82%	0.82	S	S	*	*			trans	-135.7	132.7	156.7	31.4	0	0	0	0	109.2
261	L	20.5	Very low	23.8	Very low	134 Å²	134	149.6 Å²	149.6	70%	0.702	82%	0.817	S	S	*	*			trans	-85.9	172.5	164.3	-94	63.2	0	0	0	107.7	R259	R259-L261 HydrophobicContact CG-CD1 4.01Å
262	S	22.9	Very low	23.9	Very low	94 Å²	94	151.4 Å²	151.4	66%	0.657	81%	0.81	S	S	*	*			cis	-149.1	-173.1	22	47.3	0	0	0	0	109.3
263	Q	23.8	Very low	24.2	Very low	177 Å²	177	152 Å²	152	83%	0.827	81%	0.807	S	S	*	*			cis	-158.2	169	17.1	-144.2	149	6.9	0	0	110.2
264	N	21.2	Very low	24.3	Very low	154 Å²	154	148.5 Å²	148.5	82%	0.824	80%	0.798	S	S	*	*			trans	-108	152.7	-169.6	-54.7	-74.3	0	0	0	114.6
265	V	23.5	Very low	24.7	Very low	140 Å²	140	149.6 Å²	149.6	85%	0.848	81%	0.805	S	S	*	*			trans	-139.8	103.4	146.8	-173.8	0	0	0	0	112.2
266	K	23	Very low	25.1	Very low	197 Å²	197	147.4 Å²	147.4	86%	0.857	80%	0.802	S	S	*	*			trans	35.5	139.6	147.7	-60.1	-177.6	177.9	179.9	0	123.9
267	F	25.7	Very low	25.6	Very low	196 Å²	196	144.9 Å²	144.9	86%	0.86	78%	0.781	S	S	*	*			trans	-88.5	167.4	163.1	-71.1	-98.7	0	0	0	112
268	P	24.2	Very low	26.1	Very low	118 Å²	118	144.4 Å²	144.4	77%	0.766	78%	0.775	S	S	*	*				-128.4	137.9	90.6	36.2	-27.7	0	0	0	112.8
269	I	24	Very low	26.4	Very low	164 Å²	164	143.5 Å²	143.5	84%	0.841	77%	0.771	S	S	*	*				53.1	101.9	90.4	-54.6	177.7	0	0	0	113.1
270	G	23.6	Very low	26.8	Very low	74 Å²	74	140.5 Å²	140.5	76%	0.763	77%	0.766	S	S	*	*			trans	-157.7	141	172.4	0	0	0	0	0	109.8
271	E	25.3	Very low	27.3	Very low	158 Å²	158	141.7 Å²	141.7	74%	0.738	76%	0.757	S	S	*	*			trans	-70.1	173.2	-162	-58.5	-177.8	137.9	0	0	117.3
272	K	28.1	Very low	27.8	Very low	176 Å²	176	141.6 Å²	141.6	77%	0.765	76%	0.756	S	S	*	*			trans	75.4	100.6	158.4	-70.1	138.1	-178.7	155	0	117.5
273	A	30.6	Very low	28.1	Very low	91 Å²	91	146.2 Å²	146.2	75%	0.752	76%	0.764	S	S	*	*			trans	-64.3	138.4	145.8	0	0	0	0	0	109.9
274	N	30.6	Very low	28.3	Very low	130 Å²	130	142.6 Å²	142.6	70%	0.695	76%	0.755	S	S	*	*			trans	169.7	78.2	149.7	-88.7	-16.2	0	0	0	111.1
275	T	31.2	Very low	28.8	Very low	151 Å²	151	143.7 Å²	143.7	93%	0.926	76%	0.755	S	S	*	*	S	Bend	trans	-135.2	23.4	170.7	48.9	0	0	0	0	113.3
276	C	31.4	Very low	29	Very low	114 Å²	114	148.9 Å²	148.9	77%	0.77	76%	0.759	S	S	*	*	S	Bend	trans	-135.6	27	173	-142.3	0	0	0	0	112.6
277	T	34.8	Very low	29.3	Very low	68 Å²	68	144 Å²	144	42%	0.417	75%	0.75	S	S	.	*	S	Bend	trans	-128.1	18.7	-171.2	47	0	0	0	0	113.6	K281	T277-K281 WeakPolarHBondContact O-CD 3.49Å; T277-K281 WeakPolarHBondContact O-CE 3.42Å
278	E	34.1	Very low	29.5	Very low	154 Å²	154	143.2 Å²	143.2	72%	0.72	75%	0.749	S	S	*	*	S	Bend	trans	-123.6	-29	-179.1	-160.5	146.6	-125.3	0	0	113.2	K281	E278-K281 PolarHBondContact O-N 2.84Å
279	F	30	Very low	29.4	Very low	192 Å²	192	146.3 Å²	146.3	84%	0.842	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-25	171.3	-100.5	-90.7	0	0	0	114.2
280	E	30.8	Very low	29.4	Very low	152 Å²	152	147.2 Å²	147.2	71%	0.71	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-13.1	173.1	-66.6	-165.1	136.3	0	0	113.6	T284	E280-T284 PolarHBondContact O-OG1 3.09Å
281	K	33.7	Very low	29.4	Very low	141 Å²	141	147.9 Å²	147.9	61%	0.613	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-18.4	178.4	-73.1	-173.8	179.5	177.5	0	114.2	T277 E278	T277-K281 WeakPolarHBondContact O-CD 3.49Å; T277-K281 WeakPolarHBondContact O-CE 3.42Å; E278-K281 PolarHBondContact O-N 2.84Å
282	I	32.1	Very low	29.5	Very low	133 Å²	133	146.5 Å²	146.5	68%	0.682	75%	0.752	S	S	*	*	S	Bend	trans	-79.7	-24.9	177.5	-62.9	178.1	0	0	0	111.6
283	F	28.2	Very low	29.4	Very low	190 Å²	190	147.4 Å²	147.4	83%	0.833	76%	0.758	S	S	*	*	S	Bend	trans	-96.9	-5.9	-179.1	-124.8	-89.1	0	0	0	115
284	T	29.1	Very low	29.2	Very low	102 Å²	102	152.5 Å²	152.5	63%	0.626	76%	0.764	S	S	*	*	S	Bend	trans	-101.6	16.1	-177	40.8	0	0	0	0	114.3	E280	E280-T284 PolarHBondContact O-OG1 3.09Å
285	Q	30.4	Very low	28.9	Very low	176 Å²	176	154.3 Å²	154.3	82%	0.822	77%	0.771	S	S	*	*	S	Bend	trans	-125.9	37.9	179	-147.3	-179.9	27.9	0	0	115.2
286	R	28.5	Very low	28.6	Very low	249 Å²	249	155 Å²	155	94%	0.94	76%	0.764	S	S	*	*	S	Bend	trans	-149.5	22	161.7	-133.9	171.2	-176.1	130	2.6	116.8
287	S	29.3	Very low	28.2	Very low	95 Å²	95	155.7 Å²	155.7	66%	0.664	77%	0.765	S	S	*	*			trans	-117.2	49	-179.2	61.6	0	0	0	0	113.1
288	H	29.2	Very low	28	Very low	180 Å²	180	158.7 Å²	158.7	83%	0.833	78%	0.782	S	S	*	*			trans	-142.1	67.4	173.2	-102.3	-80.7	0	0	0	111.6
289	F	22.9	Very low	27.6	Very low	183 Å²	183	160 Å²	160	80%	0.803	79%	0.788	S	S	*	*	S	Bend	trans	179	113.7	160.6	-85.3	-53.2	0	0	0	105.9
290	F	24.4	Very low	27.5	Very low	183 Å²	183	159.9 Å²	159.9	80%	0.803	79%	0.788	S	S	*	*			cis	-133.3	154.6	-5.4	-89.4	-91.9	0	0	0	109.9
291	A	23.7	Very low	27.3	Very low	88 Å²	88	158.7 Å²	158.7	73%	0.727	79%	0.793	S	S	*	*			trans	-116.1	127.2	152	0	0	0	0	0	107.4
292	P	26.6	Very low	27	Very low	129 Å²	129	160.2 Å²	160.2	84%	0.838	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-78.1	138.7	-175.7	30.1	-33.8	0	0	0	112
293	Q	25.3	Very low	26.8	Very low	194 Å²	194	160 Å²	160	91%	0.907	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-86.1	161.9	166	-69.4	-172	-5.1	0	0	110.9
294	K	27	Very low	26.7	Very low	199 Å²	199	159.6 Å²	159.6	87%	0.865	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-74.7	132.1	-177.8	-62.9	176.6	178.9	180	0	112.4
295	I	24.7	Very low	26.6	Very low	167 Å²	167	159.3 Å²	159.3	86%	0.856	81%	0.806	S	S	*	*			trans	-135	143.3	140.2	-60.1	-175.5	0	0	0	107.1
296	H	24.5	Very low	26.6	Very low	167 Å²	167	157.8 Å²	157.8	77%	0.773	80%	0.796	S	S	*	*			trans	-79.9	130	172.7	-82.6	-118.2	0	0	0	110.3
297	T	22.6	Very low	26.6	Very low	128 Å²	128	151.8 Å²	151.8	79%	0.785	79%	0.791	S	S	*	*				-176.6	130.7	105.8	33.2	0	0	0	0	111.8
298	V	31.6	Very low	26.6	Very low	130 Å²	130	153.1 Å²	153.1	79%	0.788	80%	0.795	S	S	*	*			trans	33.4	105.7	147.5	-160.4	0	0	0	0	118.8
299	E	25.7	Very low	26.6	Very low	181 Å²	181	149.3 Å²	149.3	85%	0.846	78%	0.781	S	S	*	*				-171.5	-173.3	110.3	-92.8	-150.1	147.5	0	0	111.4
300	K	26.7	Very low	27	Very low	191 Å²	191	145.9 Å²	145.9	83%	0.83	78%	0.775	S	S	*	*			trans	-89.2	149.5	-152.4	-66.9	167.7	-176.5	160.3	0	115.6
301	P	26.6	Very low	27.1	Very low	126 Å²	126	146.2 Å²	146.2	82%	0.818	78%	0.776	S	S	*	*			trans	-92.8	125.2	179.6	34.5	-32.5	0	0	0	113.9
302	H	27.4	Very low	27.6	Very low	174 Å²	174	146.6 Å²	146.6	81%	0.806	77%	0.77	S	S	*	*			trans	-150.5	16	168.9	-151.6	-87	0	0	0	116.6
303	E	28.7	Very low	28.2	Very low	128 Å²	128	145.6 Å²	145.6	60%	0.598	75%	0.754	S	S	*	*			trans	-126.8	56.1	-177.4	-74.3	-62.2	162.7	0	0	114.3	K306	E303-K306 IonicContact OE1-NZ 3.72Å; E303-K306 PolarHBondContact OE1-NZ 2.94Å; E303-K306 WeakPolarHBondContact OE2-CD 3.34Å; E303-K306 VanDerWaalsContact OE2-CE 3.23Å; E303-K306 WeakPolarHBondContact OE2-CE 3.38Å; E303-K306 IonicContact OE2-NZ 2.76Å; E303-K306 PolarHBondContact OE2-NZ 3.12Å
304	L	26.4	Very low	28.8	Very low	182 Å²	182	144 Å²	144	95%	0.953	74%	0.744	S	S	*	*	S	Bend	trans	-136.4	39.1	170.2	-153.9	74.4	0	0	0	113.2
305	S	26.9	Very low	29.4	Very low	95 Å²	95	138.1 Å²	138.1	66%	0.664	73%	0.726	S	S	*	*	S	Bend	trans	-121.9	-24.6	-176.7	-168.8	0	0	0	0	114.3	C307	S305-C307 PolarHBondContact O-N 3.38Å
306	K	30.7	Very low	30.1	Very low	144 Å²	144	135.1 Å²	135.1	63%	0.626	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-73.3	-31	-167.2	-68.3	173	-179	156.6	0	114.9	E303 V308	E303-K306 IonicContact OE1-NZ 3.72Å; E303-K306 PolarHBondContact OE1-NZ 2.94Å; E303-K306 WeakPolarHBondContact OE2-CD 3.34Å; E303-K306 VanDerWaalsContact OE2-CE 3.23Å; E303-K306 WeakPolarHBondContact OE2-CE 3.38Å; E303-K306 IonicContact OE2-NZ 2.76Å; E303-K306 PolarHBondContact OE2-NZ 3.12Å; K306-V308 VanDerWaalsContact C-N 3.3Å; K306-V308 PolarHBondContact O-N 2.92Å; K306-V308 VanDerWaalsContact O-N 3.15Å
307	C	27	Very low	30.9	Very low	123 Å²	123	132.3 Å²	132.3	83%	0.831	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-77.2	2.5	-168.5	-58.5	0	0	0	0	116.7	S305	S305-C307 PolarHBondContact O-N 3.38Å
308	V	29.8	Very low	31.8	Very low	124 Å²	124	128.6 Å²	128.6	75%	0.752	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-88.6	-20.8	-179.6	-179.9	0	0	0	0	112.8	K306 V310	K306-V308 VanDerWaalsContact C-N 3.3Å; K306-V308 PolarHBondContact O-N 2.92Å; K306-V308 VanDerWaalsContact O-N 3.15Å; V308-V310 PolarHBondContact O-N 2.98Å
309	N	30.5	Very low	32.4	Very low	99 Å²	99	124.6 Å²	124.6	53%	0.529	65%	0.654	S	S	.	*	G	3₁₀ helix	trans	-90.1	22.4	-167.7	-80.1	-33.5	0	0	0	116.3	F311 T312	N309-F311 VanDerWaalsContact C-N 3.32Å; N309-F311 PolarHBondContact O-N 3.09Å; N309-T312 PolarHBondContact O-OG1 3.15Å
310	V	31.1	Very low	33.3	Very low	111 Å²	111	122.1 Å²	122.1	67%	0.673	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-71	-25.6	-179.8	-176.2	0	0	0	0	112.8	V308 T312	V308-V310 PolarHBondContact O-N 2.98Å; V310-T312 PolarHBondContact O-N 3.45Å
311	F	26.4	Very low	34.2	Very low	190 Å²	190	118.2 Å²	118.2	83%	0.833	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-77.7	-13.7	-177.5	-90.3	-84.5	0	0	0	115.4	N309	N309-F311 VanDerWaalsContact C-N 3.32Å; N309-F311 PolarHBondContact O-N 3.09Å
312	T	32.6	Very low	35.4	Very low	97 Å²	97	117 Å²	117	60%	0.595	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-88.9	-18.4	178.6	50.1	0	0	0	0	113.4	N309 V310 K314 P315	N309-T312 PolarHBondContact O-OG1 3.15Å; V310-T312 PolarHBondContact O-N 3.45Å; T312-K314 PolarHBondContact O-N 2.92Å; T312-P315 WeakPolarHBondContact O-CD 3.04Å
313	Q	40.6	Very low	36.3	Very low	107 Å²	107	112.8 Å²	112.8	50%	0.5	59%	0.591	S	S	.	*			trans	-86.6	6.6	-168.9	-60.2	-163.3	-4.8	0	0	116.2	P315 L316 L317	Q313-P315 VanDerWaalsContact C-N 3.31Å; Q313-L316 HydrophobicContact CB-CD1 4.25Å; Q313-L316 HydrophobicContact CG-CD1 4.05Å; Q313-L316 PolarHBondContact O-N 3.37Å; Q313-L317 PolarHBondContact O-N 3.13Å; Q313-L317 VanDerWaalsContact O-N 3.09Å
314	K	37	Very low	37	Very low	162 Å²	162	113 Å²	113	70%	0.704	59%	0.592	S	S	*	*	H	α-helix	trans	-55.6	-34.4	175.9	-70.8	-157.4	173.3	-160.4	0	115.2	T312 S318	T312-K314 PolarHBondContact O-N 2.92Å; K314-S318 PolarHBondContact O-N 3.4Å; K314-S318 PolarHBondContact O-OG 2.87Å
315	P	39.8	Very low	37.8	Very low	75 Å²	75	112.7 Å²	112.7	49%	0.487	58%	0.578	S	S	.	*	H	α-helix	trans	-63.4	-45.7	171	-22.1	35.1	0	0	0	112.2	T312 Q313 L317 S318 I319	T312-P315 WeakPolarHBondContact O-CD 3.04Å; Q313-P315 VanDerWaalsContact C-N 3.31Å; P315-L317 PolarHBondContact O-N 2.87Å; P315-S318 CarbonylContact O-C 3.43Å; P315-S318 WeakPolarHBondContact O-CA 3.44Å; P315-S318 PolarHBondContact O-N 3.45Å; P315-S318 VanDerWaalsContact O-N 3.07Å; P315-S318 PolarHBondContact O-OG 3.09Å; P315-I319 WeakPolarHBondContact O-CG1 3.39Å; P315-I319 PolarHBondContact O-N 3.43Å
316	L	40.1	Very low	38.6	Very low	103 Å²	103	115.8 Å²	115.8	54%	0.539	59%	0.587	S	S	.	*	H	α-helix	trans	-61.7	-45.3	-177.2	-62.2	173.7	0	0	0	111.9	Q313 S318 I319 Y320	Q313-L316 HydrophobicContact CB-CD1 4.25Å; Q313-L316 HydrophobicContact CG-CD1 4.05Å; Q313-L316 PolarHBondContact O-N 3.37Å; L316-S318 VanDerWaalsContact C-N 3.25Å; L316-S318 PolarHBondContact O-N 3.46Å; L316-I319 PolarHBondContact O-N 3.44Å; L316-I319 VanDerWaalsContact O-N 3.07Å; L316-Y320 PolarHBondContact O-N 2.99Å
317	L	40.7	Very low	39.7	Very low	109 Å²	109	111.7 Å²	111.7	57%	0.571	57%	0.57	S	S	*	*	H	α-helix	trans	-62.4	-33.1	175.5	-171	65.6	0	0	0	112.3	Q313 P315 L321	Q313-L317 PolarHBondContact O-N 3.13Å; Q313-L317 VanDerWaalsContact O-N 3.09Å; P315-L317 PolarHBondContact O-N 2.87Å; L317-L321 HydrophobicContact CG-CD1 4.24Å; L317-L321 WeakPolarHBondContact O-CB 3.42Å; L317-L321 VanDerWaalsContact O-CG 3.32Å; L317-L321 WeakPolarHBondContact O-CG 3.41Å; L317-L321 PolarHBondContact O-N 3.17Å
318	S	41.6	Very low	41	Very low	49 Å²	49	113 Å²	113	34%	0.343	56%	0.562	S	S	.	*	H	α-helix	trans	-76.1	-19.6	175.3	73.6	0	0	0	0	114.4	K314 P315 L316 R322	K314-S318 PolarHBondContact O-N 3.4Å; K314-S318 PolarHBondContact O-OG 2.87Å; P315-S318 CarbonylContact O-C 3.43Å; P315-S318 WeakPolarHBondContact O-CA 3.44Å; P315-S318 PolarHBondContact O-N 3.45Å; P315-S318 VanDerWaalsContact O-N 3.07Å; P315-S318 PolarHBondContact O-OG 3.09Å; L316-S318 VanDerWaalsContact C-N 3.25Å; L316-S318 PolarHBondContact O-N 3.46Å; S318-R322 VanDerWaalsContact O-CD 3.26Å; S318-R322 WeakPolarHBondContact O-CD 3.5Å; S318-R322 WeakPolarHBondContact O-CG 3.46Å
319	I	45.1	Very low	42.5	Very low	46 Å²	46	108.9 Å²	108.9	24%	0.236	54%	0.535	C	S	.	.	H	α-helix	trans	-81.9	-49.5	173.1	-68.3	161.8	0	0	0	109	P315 L316 L321 R322 V323 L329 A338	P315-I319 WeakPolarHBondContact O-CG1 3.39Å; P315-I319 PolarHBondContact O-N 3.43Å; L316-I319 PolarHBondContact O-N 3.44Å; L316-I319 VanDerWaalsContact O-N 3.07Å; I319-L321 VanDerWaalsContact C-N 3.33Å; I319-L321 PolarHBondContact O-N 2.93Å; I319-R322 PolarHBondContact O-N 2.92Å; I319-V323 HydrophobicContact CG2-CG2 4.14Å; I319-V323 WeakPolarHBondContact O-CG2 3.43Å; I319-V323 PolarHBondContact O-N 3.22Å; I319-L329 HydrophobicContact CG2-CD1 4.13Å; I319-A338 HydrophobicContact CD1-CB 4.22Å; I319-A338 HydrophobicContact CG1-CB 4.1Å
320	Y	43.8	Very low	44.1	Very low	130 Å²	130	107.2 Å²	107.2	51%	0.51	52%	0.522	S	S	.	.	H	α-helix	trans	-53.1	-46.3	177.3	179.3	-103.5	0	0	0	112.9	L316 R322 H324	L316-Y320 PolarHBondContact O-N 2.99Å; Y320-R322 PolarHBondContact O-N 2.86Å; Y320-R322 VanDerWaalsContact O-N 3.15Å; Y320-H324 AromaticContact CE2-CD2 3.85Å; Y320-H324 AromaticContact CE2-NE2 3.52Å; Y320-H324 AromaticContact CZ-CD2 3.78Å; Y320-H324 AromaticContact CZ-NE2 3.55Å; Y320-H324 PolarHBondContact OH-NE2 3.06Å
321	L	44.5	Very low	45.7	Very low	108 Å²	108	106.7 Å²	106.7	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-70.4	-3.3	178	-69.5	171.9	0	0	0	115	L317 I319	L317-L321 HydrophobicContact CG-CD1 4.24Å; L317-L321 WeakPolarHBondContact O-CB 3.42Å; L317-L321 VanDerWaalsContact O-CG 3.32Å; L317-L321 WeakPolarHBondContact O-CG 3.41Å; L317-L321 PolarHBondContact O-N 3.17Å; I319-L321 VanDerWaalsContact C-N 3.33Å; I319-L321 PolarHBondContact O-N 2.93Å
322	R	52	Low	48	Very low	102 Å²	102	97.6 Å²	97.6	39%	0.385	47%	0.474	S	S	.	.	H	α-helix	trans	-114.6	-30.8	178.2	-68.9	177.1	-175.6	167.8	-3.8	113.2	S318 I319 Y320 H324 R325 L329	S318-R322 VanDerWaalsContact O-CD 3.26Å; S318-R322 WeakPolarHBondContact O-CD 3.5Å; S318-R322 WeakPolarHBondContact O-CG 3.46Å; I319-R322 PolarHBondContact O-N 2.92Å; Y320-R322 PolarHBondContact O-N 2.86Å; Y320-R322 VanDerWaalsContact O-N 3.15Å; R322-H324 PolarHBondContact O-N 2.99Å; R322-R325 WeakPolarHBondContact O-CB 3.39Å; R322-R325 PolarHBondContact O-N 2.99Å; R322-R325 VanDerWaalsContact O-N 3.12Å; R322-L329 HydrophobicContact CB-CD1 4.41Å
323	V	47.2	Very low	49.7	Very low	85 Å²	85	99 Å²	99	52%	0.515	48%	0.483	S	S	.	.	H	α-helix	trans	-59.3	-37.6	169.5	173.3	0	0	0	0	110.5	I319 R325 D326 L329	I319-V323 HydrophobicContact CG2-CG2 4.14Å; I319-V323 WeakPolarHBondContact O-CG2 3.43Å; I319-V323 PolarHBondContact O-N 3.22Å; V323-R325 PolarHBondContact O-N 3.44Å; V323-D326 PolarHBondContact O-N 3.48Å; V323-L329 HydrophobicContact CG2-CD1 4.33Å
324	H	43.4	Very low	51	Low	133 Å²	133	100 Å²	100	62%	0.616	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	26.4	171.7	-78.3	-63.5	0	0	0	115.3	Y320 R322	Y320-H324 AromaticContact CE2-CD2 3.85Å; Y320-H324 AromaticContact CE2-NE2 3.52Å; Y320-H324 AromaticContact CZ-CD2 3.78Å; Y320-H324 AromaticContact CZ-NE2 3.55Å; Y320-H324 PolarHBondContact OH-NE2 3.06Å; R322-H324 PolarHBondContact O-N 2.99Å
325	R	42.6	Very low	52.7	Low	175 Å²	175	94.9 Å²	94.9	66%	0.66	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.4	5.7	172.6	-65.7	-177.4	166.2	-160	-7	113.5	R322 V323 E327	R322-R325 WeakPolarHBondContact O-CB 3.39Å; R322-R325 PolarHBondContact O-N 2.99Å; R322-R325 VanDerWaalsContact O-N 3.12Å; V323-R325 PolarHBondContact O-N 3.44Å; R325-E327 HydrophobicContact CB-CG 3.91Å; R325-E327 WeakPolarHBondContact CD-OE1 3.47Å; R325-E327 IonicContact CZ-OE1 3.07Å; R325-E327 IonicContact NE-OE1 3.38Å; R325-E327 IonicContact NH1-OE1 3.64Å; R325-E327 PolarHBondContact NH1-OE1 3Å; R325-E327 PolarHBondContact O-N 2.91Å; R325-E327 VanDerWaalsContact O-N 3.08Å
326	D	43.9	Very low	53.9	Low	160 Å²	160	93.8 Å²	93.8	86%	0.856	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	21.9	-173.2	-55.2	-43.1	0	0	0	114.3	V323 K328	V323-D326 PolarHBondContact O-N 3.48Å; D326-K328 PolarHBondContact O-N 3.33Å
327	E	54.8	Low	55.2	Low	58 Å²	58	94 Å²	94	27%	0.271	47%	0.468	S	S	.	.			trans	-69.3	109.4	172.8	-69.9	174.5	-163.1	0	0	109.2	R325 L329	R325-E327 HydrophobicContact CB-CG 3.91Å; R325-E327 WeakPolarHBondContact CD-OE1 3.47Å; R325-E327 IonicContact CZ-OE1 3.07Å; R325-E327 IonicContact NE-OE1 3.38Å; R325-E327 IonicContact NH1-OE1 3.64Å; R325-E327 PolarHBondContact NH1-OE1 3Å; R325-E327 PolarHBondContact O-N 2.91Å; R325-E327 VanDerWaalsContact O-N 3.08Å; E327-L329 PolarHBondContact O-N 3.05Å
328	K	54	Low	56.1	Low	151 Å²	151	90 Å²	90	66%	0.657	45%	0.452	S	S	*	.			trans	-65.5	98.7	-178.4	-176.5	-177.2	175.7	-173.7	0	112	D326 Y330	D326-K328 PolarHBondContact O-N 3.33Å; K328-Y330 HydrophobicContact CG-CE2 4.43Å; K328-Y330 WeakPolarHBondContact O-CD2 3.47Å; K328-Y330 WeakPolarHBondContact O-CE2 3.4Å
329	L	60.1	Low	57.4	Low	37 Å²	37	89.5 Å²	89.5	19%	0.194	44%	0.443	C	S	.	.			trans	-80.9	137.7	179.5	-64.2	176.7	0	0	0	113.2	I319 R322 V323 E327 A338 F339 I340	I319-L329 HydrophobicContact CG2-CD1 4.13Å; R322-L329 HydrophobicContact CB-CD1 4.41Å; V323-L329 HydrophobicContact CG2-CD1 4.33Å; E327-L329 PolarHBondContact O-N 3.05Å; L329-A338 HydrophobicContact CB-CB 4.35Å; L329-A338 HydrophobicContact CD1-CB 4.25Å; L329-F339 CarbonylContact C-O 3.59Å; L329-F339 WeakPolarHBondContact CA-O 3.42Å; L329-I340 HydrophobicContact CD2-CG1 4.16Å
330	Y	65.5	Low	58	Low	63 Å²	63	91 Å²	91	25%	0.247	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.6	177.4	-66.4	-90.2	0	0	0	109.8	K328 A338 F339 N342	K328-Y330 HydrophobicContact CG-CE2 4.43Å; K328-Y330 WeakPolarHBondContact O-CD2 3.47Å; K328-Y330 WeakPolarHBondContact O-CE2 3.4Å; Y330-A338 CarbonylContact O-C 3.53Å; Y330-A338 WeakPolarHBondContact O-CA 3.34Å; Y330-F339 PolarHBondContact N-O 2.79Å; Y330-F339 PolarHBondContact O-N 3.2Å; Y330-N342 HydrophobicContact CD1-CB 3.77Å; Y330-N342 WeakPolarHBondContact CD1-OD1 3.25Å; Y330-N342 HydrophobicContact CD2-CB 4.43Å; Y330-N342 HydrophobicContact CE1-CB 3.66Å; Y330-N342 HydrophobicContact CE2-CB 4.33Å; Y330-N342 HydrophobicContact CG-CB 4.19Å
331	I	64.3	Low	58.7	Low	100 Å²	100	90.1 Å²	90.1	51%	0.513	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.8	-171	-54	179.4	0	0	0	111.7	T333 K337 A338	I331-T333 PolarHBondContact O-N 3.46Å; I331-K337 WeakPolarHBondContact CA-O 3.26Å; I331-A338 HydrophobicContact CG1-CB 4.12Å
332	C	73.8	Confident	59.6	Low	0 Å²	0	88.5 Å²	88.5	0%	0	44%	0.443	C	S	.	.			trans	-72.7	109.4	175.5	-178.7	0	0	0	0	111.7	K334 C335 G336 K337 F339 L345 E349 H352	C332-K334 PolarHBondContact O-N 3.37Å; C332-K334 VanDerWaalsContact O-N 3.1Å; C332-C335 PolarHBondContact O-N 2.95Å; C332-C335 VanDerWaalsContact O-N 3.14Å; C332-G336 PolarHBondContact O-N 3.46Å; C332-K337 PolarHBondContact N-O 3.24Å; C332-F339 HydrophobicContact CB-CE2 4.27Å; C332-L345 VanDerWaalsContact CA-CD1 3.47Å; C332-L345 HydrophobicContact CB-CD1 3.48Å; C332-L345 VanDerWaalsContact CB-CD1 3.48Å; C332-E349 PolarHBondContact SG-OE1 3.3Å; C332-H352 PolarHBondContact SG-NE2 3.05Å; C332-H352 VanDerWaalsContact SG-NE2 3.36Å
333	T	69.7	Low	60.2	Low	125 Å²	125	85.3 Å²	85.3	77%	0.767	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-31.9	178.4	56.8	0	0	0	0	113.3	I331	I331-T333 PolarHBondContact O-N 3.46Å
334	K	67.3	Low	60.8	Low	128 Å²	128	85 Å²	85	56%	0.557	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.9	-176	-65.2	172.2	-176.4	164.8	0	114.8	C332 H352	C332-K334 PolarHBondContact O-N 3.37Å; C332-K334 VanDerWaalsContact O-N 3.1Å; K334-H352 HydrophobicContact CD-CB 4.04Å
335	C	73.2	Confident	61.9	Low	55 Å²	55	79.5 Å²	79.5	37%	0.372	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.1	8	-178.3	77.5	0	0	0	0	116.8	C332 K337 H348	C332-C335 PolarHBondContact O-N 2.95Å; C332-C335 VanDerWaalsContact O-N 3.14Å; C335-K337 VanDerWaalsContact C-N 3.29Å; C335-K337 PolarHBondContact O-N 3Å; C335-H348 PolarHBondContact SG-NE2 3.28Å
336	G	64.1	Low	63.2	Low	52 Å²	52	74.9 Å²	74.9	54%	0.536	39%	0.392	S	S	.	.			trans	70.1	14.8	174.3	0	0	0	0	0	115.8	C332	C332-G336 PolarHBondContact O-N 3.46Å
337	K	66.8	Low	64.1	Low	108 Å²	108	70.4 Å²	70.4	47%	0.47	37%	0.367	S	S	.	.			trans	-83.6	126.5	176.7	-72.3	-179.9	-168.6	168.8	0	111.4	I331 C332 C335 F339	I331-K337 WeakPolarHBondContact CA-O 3.26Å; C332-K337 PolarHBondContact N-O 3.24Å; C335-K337 VanDerWaalsContact C-N 3.29Å; C335-K337 PolarHBondContact O-N 3Å; K337-F339 HydrophobicContact CB-CE2 3.59Å; K337-F339 HydrophobicContact CB-CZ 3.8Å; K337-F339 HydrophobicContact CD-CZ 4.2Å; K337-F339 WeakPolarHBondContact O-CD2 3.26Å; K337-F339 WeakPolarHBondContact O-CE2 3.44Å
338	A	60.1	Low	64.8	Low	26 Å²	26	68.7 Å²	68.7	22%	0.215	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	141.2	170.5	0	0	0	0	0	111.7	I319 L329 Y330 I331	I319-A338 HydrophobicContact CD1-CB 4.22Å; I319-A338 HydrophobicContact CG1-CB 4.1Å; L329-A338 HydrophobicContact CB-CB 4.35Å; L329-A338 HydrophobicContact CD1-CB 4.25Å; Y330-A338 CarbonylContact O-C 3.53Å; Y330-A338 WeakPolarHBondContact O-CA 3.34Å; I331-A338 HydrophobicContact CG1-CB 4.12Å
339	F	69.1	Low	65.4	Low	38 Å²	38	63.9 Å²	63.9	17%	0.167	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	158.9	176.2	-61.8	-83.6	0	0	0	109.6	L329 Y330 C332 K337 E344 L345 H348	L329-F339 CarbonylContact C-O 3.59Å; L329-F339 WeakPolarHBondContact CA-O 3.42Å; Y330-F339 PolarHBondContact N-O 2.79Å; Y330-F339 PolarHBondContact O-N 3.2Å; C332-F339 HydrophobicContact CB-CE2 4.27Å; K337-F339 HydrophobicContact CB-CE2 3.59Å; K337-F339 HydrophobicContact CB-CZ 3.8Å; K337-F339 HydrophobicContact CD-CZ 4.2Å; K337-F339 WeakPolarHBondContact O-CD2 3.26Å; K337-F339 WeakPolarHBondContact O-CE2 3.44Å; F339-E344 HydrophobicContact CB-CB 3.81Å; F339-E344 HydrophobicContact CD1-CB 3.78Å; F339-E344 HydrophobicContact CG-CB 4.04Å; F339-L345 HydrophobicContact CB-CB 4.33Å; F339-L345 HydrophobicContact CD2-CB 4.04Å; F339-L345 HydrophobicContact CD2-CD1 3.9Å; F339-L345 HydrophobicContact CE2-CD1 4.16Å; F339-L345 HydrophobicContact CG-CB 4.39Å; F339-H348 HydrophobicContact CE1-CB 3.99Å; F339-H348 HydrophobicContact CE2-CB 3.79Å; F339-H348 AromaticContact CE2-CD2 3.45Å; F339-H348 VanDerWaalsContact CE2-CD2 3.45Å; F339-H348 WeakPolarHBondContact CE2-CD2 3.4Å; F339-H348 AromaticContact CE2-CG 3.79Å; F339-H348 HydrophobicContact CZ-CB 3.42Å; F339-H348 VanDerWaalsContact CZ-CB 3.42Å; F339-H348 AromaticContact CZ-CD2 3.39Å; F339-H348 WeakPolarHBondContact CZ-CD2 3.48Å; F339-H348 AromaticContact CZ-CG 3.35Å
340	I	57.8	Low	65.9	Low	78 Å²	78	65.9 Å²	65.9	40%	0.4	35%	0.346	S	S	.	.	S	Bend	trans	-89.8	-30	-177.2	-58.7	176.8	0	0	0	110.1	L329 E344	L329-I340 HydrophobicContact CD2-CG1 4.16Å; I340-E344 PolarHBondContact N-OE2 3.34Å
341	Q	58.4	Low	65.9	Low	111 Å²	111	65.8 Å²	65.8	52%	0.519	35%	0.352	S	S	.	.	S	Bend	trans	-116	152.6	176.2	-58.9	178.6	-15.2	0	0	112.2	S343 E344 L345	Q341-S343 VanDerWaalsContact C-N 3.29Å; Q341-S343 VanDerWaalsContact CB-OG 3.27Å; Q341-S343 WeakPolarHBondContact CB-OG 3.48Å; Q341-S343 PolarHBondContact O-N 3.32Å; Q341-S343 PolarHBondContact OE1-OG 3.19Å; Q341-S343 VanDerWaalsContact OE1-OG 3.1Å; Q341-E344 HydrophobicContact CB-CG 4.18Å; Q341-E344 PolarHBondContact N-OE2 3.06Å; Q341-E344 VanDerWaalsContact N-OE2 3.17Å; Q341-E344 WeakPolarHBondContact O-CB 3.23Å; Q341-E344 PolarHBondContact O-N 3.29Å; Q341-L345 PolarHBondContact O-N 3.27Å
342	N	63.5	Low	66	Low	74 Å²	74	64.4 Å²	64.4	40%	0.396	34%	0.343	S	S	.	.	H	α-helix	trans	-68.6	-31.6	175	-162.2	33.7	0	0	0	111.7	Y330 L345 I346	Y330-N342 HydrophobicContact CD1-CB 3.77Å; Y330-N342 WeakPolarHBondContact CD1-OD1 3.25Å; Y330-N342 HydrophobicContact CD2-CB 4.43Å; Y330-N342 HydrophobicContact CE1-CB 3.66Å; Y330-N342 HydrophobicContact CE2-CB 4.33Å; Y330-N342 HydrophobicContact CG-CB 4.19Å; N342-L345 PolarHBondContact O-N 3.14Å; N342-I346 WeakPolarHBondContact O-CB 3.38Å; N342-I346 WeakPolarHBondContact O-CD1 3.49Å; N342-I346 VanDerWaalsContact O-CG1 3.26Å; N342-I346 WeakPolarHBondContact O-CG1 3.43Å; N342-I346 PolarHBondContact O-N 3.29Å
343	S	64.3	Low	65.5	Low	35 Å²	35	67.4 Å²	67.4	25%	0.245	36%	0.361	C	S	.	.	H	α-helix	trans	-56.5	-48.6	171.7	51.4	0	0	0	0	111.7	Q341 L345 I346 M347	Q341-S343 VanDerWaalsContact C-N 3.29Å; Q341-S343 VanDerWaalsContact CB-OG 3.27Å; Q341-S343 WeakPolarHBondContact CB-OG 3.48Å; Q341-S343 PolarHBondContact O-N 3.32Å; Q341-S343 PolarHBondContact OE1-OG 3.19Å; Q341-S343 VanDerWaalsContact OE1-OG 3.1Å; S343-L345 PolarHBondContact O-N 3.18Å; S343-I346 PolarHBondContact O-N 2.98Å; S343-M347 WeakPolarHBondContact O-CB 3.42Å; S343-M347 PolarHBondContact O-N 3.42Å
344	E	59.2	Low	64.9	Low	79 Å²	79	71.9 Å²	71.9	37%	0.369	36%	0.364	S	S	.	.	H	α-helix	trans	-59.3	-44.3	174.1	-69.2	-174.8	125.4	0	0	112.2	F339 I340 Q341 M347 H348	F339-E344 HydrophobicContact CB-CB 3.81Å; F339-E344 HydrophobicContact CD1-CB 3.78Å; F339-E344 HydrophobicContact CG-CB 4.04Å; I340-E344 PolarHBondContact N-OE2 3.34Å; Q341-E344 HydrophobicContact CB-CG 4.18Å; Q341-E344 PolarHBondContact N-OE2 3.06Å; Q341-E344 VanDerWaalsContact N-OE2 3.17Å; Q341-E344 WeakPolarHBondContact O-CB 3.23Å; Q341-E344 PolarHBondContact O-N 3.29Å; E344-M347 PolarHBondContact O-N 3.32Å; E344-H348 WeakPolarHBondContact O-CB 3.29Å; E344-H348 PolarHBondContact O-N 2.82Å
345	L	68.2	Low	64.6	Low	17 Å²	17	72 Å²	72	9%	0.089	37%	0.367	C	S	.	.	H	α-helix	trans	-61.7	-53.6	176.6	171.8	59.2	0	0	0	110.8	C332 F339 Q341 N342 S343 M347 H348 E349	C332-L345 VanDerWaalsContact CA-CD1 3.47Å; C332-L345 HydrophobicContact CB-CD1 3.48Å; C332-L345 VanDerWaalsContact CB-CD1 3.48Å; F339-L345 HydrophobicContact CB-CB 4.33Å; F339-L345 HydrophobicContact CD2-CB 4.04Å; F339-L345 HydrophobicContact CD2-CD1 3.9Å; F339-L345 HydrophobicContact CE2-CD1 4.16Å; F339-L345 HydrophobicContact CG-CB 4.39Å; Q341-L345 PolarHBondContact O-N 3.27Å; N342-L345 PolarHBondContact O-N 3.14Å; S343-L345 PolarHBondContact O-N 3.18Å; L345-M347 PolarHBondContact O-N 3.07Å; L345-H348 CarbonylContact O-C 3.48Å; L345-H348 WeakPolarHBondContact O-CA 3.05Å; L345-H348 WeakPolarHBondContact O-CB 3.34Å; L345-H348 PolarHBondContact O-N 3.01Å; L345-E349 HydrophobicContact CD1-CG 3.74Å; L345-E349 HydrophobicContact CG-CG 4.29Å; L345-E349 WeakPolarHBondContact O-CG 3.35Å; L345-E349 PolarHBondContact O-N 3.31Å
346	I	68.8	Low	64.5	Low	77 Å²	77	74 Å²	74	40%	0.395	37%	0.369	S	S	.	.	H	α-helix	trans	-57.5	-40.3	179.1	-69.9	164.2	0	0	0	110.8	N342 S343 E349 K350	N342-I346 WeakPolarHBondContact O-CB 3.38Å; N342-I346 WeakPolarHBondContact O-CD1 3.49Å; N342-I346 VanDerWaalsContact O-CG1 3.26Å; N342-I346 WeakPolarHBondContact O-CG1 3.43Å; N342-I346 PolarHBondContact O-N 3.29Å; S343-I346 PolarHBondContact O-N 2.98Å; I346-E349 PolarHBondContact O-N 3.08Å; I346-K350 WeakPolarHBondContact O-CG 3.39Å; I346-K350 PolarHBondContact O-N 2.92Å
347	M	62.8	Low	64.8	Low	67 Å²	67	75.5 Å²	75.5	33%	0.33	37%	0.369	S	S	.	.	H	α-helix	trans	-66	-36.4	175	-166.6	-172.8	-55.1	0	0	112.1	S343 E344 L345 Q369	S343-M347 WeakPolarHBondContact O-CB 3.42Å; S343-M347 PolarHBondContact O-N 3.42Å; E344-M347 PolarHBondContact O-N 3.32Å; L345-M347 PolarHBondContact O-N 3.07Å; M347-Q369 HydrophobicContact CG-CG 4.44Å; M347-Q369 HydrophobicContact SD-CG 3.97Å; M347-Q369 PolarHBondContact SD-NE2 3.35Å
348	H	69.3	Low	65.1	Low	22 Å²	22	74.1 Å²	74.1	10%	0.102	36%	0.362	C	S	.	.	H	α-helix	trans	-69.6	-40.1	172.3	-179.6	41	0	0	0	112.4	C335 F339 E344 L345 K350 T351 H352	C335-H348 PolarHBondContact SG-NE2 3.28Å; F339-H348 HydrophobicContact CE1-CB 3.99Å; F339-H348 HydrophobicContact CE2-CB 3.79Å; F339-H348 AromaticContact CE2-CD2 3.45Å; F339-H348 VanDerWaalsContact CE2-CD2 3.45Å; F339-H348 WeakPolarHBondContact CE2-CD2 3.4Å; F339-H348 AromaticContact CE2-CG 3.79Å; F339-H348 HydrophobicContact CZ-CB 3.42Å; F339-H348 VanDerWaalsContact CZ-CB 3.42Å; F339-H348 AromaticContact CZ-CD2 3.39Å; F339-H348 WeakPolarHBondContact CZ-CD2 3.48Å; F339-H348 AromaticContact CZ-CG 3.35Å; E344-H348 WeakPolarHBondContact O-CB 3.29Å; E344-H348 PolarHBondContact O-N 2.82Å; L345-H348 CarbonylContact O-C 3.48Å; L345-H348 WeakPolarHBondContact O-CA 3.05Å; L345-H348 WeakPolarHBondContact O-CB 3.34Å; L345-H348 PolarHBondContact O-N 3.01Å; H348-K350 VanDerWaalsContact C-N 3.29Å; H348-K350 PolarHBondContact O-N 3.1Å; H348-T351 PolarHBondContact CE1-OG1 3.26Å; H348-T351 VanDerWaalsContact CE1-OG1 3.27Å; H348-T351 PolarHBondContact ND1-OG1 3.03Å; H348-T351 VanDerWaalsContact ND1-OG1 3.12Å; H348-T351 WeakPolarHBondContact O-CA 3.45Å; H348-T351 VanDerWaalsContact O-CB 3.27Å; H348-T351 WeakPolarHBondContact O-CB 3.36Å; H348-T351 PolarHBondContact O-N 2.96Å; H348-T351 PolarHBondContact O-OG1 3.44Å; H348-H352 AromaticContact CD2-NE2 3.84Å; H348-H352 AromaticContact CE1-CE1 3.8Å; H348-H352 AromaticContact CE1-NE2 3.51Å; H348-H352 AromaticContact NE2-CE1 3.65Å; H348-H352 AromaticContact NE2-NE2 3.06Å; H348-H352 PolarHBondContact NE2-NE2 3.49Å
349	E	68.2	Low	65.8	Low	50 Å²	50	78.7 Å²	78.7	23%	0.234	38%	0.377	C	S	.	.	H	α-helix	trans	-68.1	-29.7	-177.7	-62.3	-149.9	142	0	0	112.9	C332 L345 I346 T351 H352 T353	C332-E349 PolarHBondContact SG-OE1 3.3Å; L345-E349 HydrophobicContact CD1-CG 3.74Å; L345-E349 HydrophobicContact CG-CG 4.29Å; L345-E349 WeakPolarHBondContact O-CG 3.35Å; L345-E349 PolarHBondContact O-N 3.31Å; I346-E349 PolarHBondContact O-N 3.08Å; E349-T351 PolarHBondContact O-N 2.92Å; E349-T351 VanDerWaalsContact O-N 3.16Å; E349-H352 WeakPolarHBondContact O-CB 3.41Å; E349-H352 PolarHBondContact O-N 2.94Å; E349-T353 PolarHBondContact O-N 2.91Å
350	K	70.5	Confident	66.3	Low	79 Å²	79	77 Å²	77	34%	0.343	37%	0.369	S	S	.	.	H	α-helix	trans	-57.6	-21.9	165.9	-69.3	167	-174.7	175	0	113.1	I346 H348 T353 F368	I346-K350 WeakPolarHBondContact O-CG 3.39Å; I346-K350 PolarHBondContact O-N 2.92Å; H348-K350 VanDerWaalsContact C-N 3.29Å; H348-K350 PolarHBondContact O-N 3.1Å; K350-T353 PolarHBondContact O-OG1 3.32Å; K350-F368 VanDerWaalsContact O-CE1 3.29Å; K350-F368 WeakPolarHBondContact O-CE1 3.48Å
351	T	64.1	Low	67.3	Low	61 Å²	61	80.6 Å²	80.6	37%	0.374	39%	0.39	S	S	.	.	H	α-helix	trans	-76	-22.1	172.4	74.8	0	0	0	0	113.4	H348 E349	H348-T351 PolarHBondContact CE1-OG1 3.26Å; H348-T351 VanDerWaalsContact CE1-OG1 3.27Å; H348-T351 PolarHBondContact ND1-OG1 3.03Å; H348-T351 VanDerWaalsContact ND1-OG1 3.12Å; H348-T351 WeakPolarHBondContact O-CA 3.45Å; H348-T351 VanDerWaalsContact O-CB 3.27Å; H348-T351 WeakPolarHBondContact O-CB 3.36Å; H348-T351 PolarHBondContact O-N 2.96Å; H348-T351 PolarHBondContact O-OG1 3.44Å; E349-T351 PolarHBondContact O-N 2.92Å; E349-T351 VanDerWaalsContact O-N 3.16Å
352	H	67.8	Low	68	Low	70 Å²	70	81 Å²	81	32%	0.324	39%	0.392	S	S	.	.	H	α-helix	trans	-84.7	-34.4	175.8	-62.6	-56.8	0	0	0	112.7	C332 K334 H348 E349 R354	C332-H352 PolarHBondContact SG-NE2 3.05Å; C332-H352 VanDerWaalsContact SG-NE2 3.36Å; K334-H352 HydrophobicContact CD-CB 4.04Å; H348-H352 AromaticContact CD2-NE2 3.84Å; H348-H352 AromaticContact CE1-CE1 3.8Å; H348-H352 AromaticContact CE1-NE2 3.51Å; H348-H352 AromaticContact NE2-CE1 3.65Å; H348-H352 AromaticContact NE2-NE2 3.06Å; H348-H352 PolarHBondContact NE2-NE2 3.49Å; E349-H352 WeakPolarHBondContact O-CB 3.41Å; E349-H352 PolarHBondContact O-N 2.94Å; H352-R354 PolarHBondContact O-N 3.29Å
353	T	62.4	Low	68.5	Low	63 Å²	63	80 Å²	80	39%	0.387	39%	0.39	S	S	.	.	S	Bend	trans	-71.1	-11.5	177.8	67.6	0	0	0	0	113.3	E349 K350 E355	E349-T353 PolarHBondContact O-N 2.91Å; K350-T353 PolarHBondContact O-OG1 3.32Å; T353-E355 WeakPolarHBondContact CB-OE2 3.43Å; T353-E355 PolarHBondContact O-N 3.08Å; T353-E355 PolarHBondContact OG1-OE2 3.11Å
354	R	57.7	Low	69	Low	219 Å²	219	80.2 Å²	80.2	83%	0.826	40%	0.397	S	S	*	.			trans	60.8	-7.7	-172.5	-69.7	-176.2	169.4	-174.8	0.5	115.6	H352	H352-R354 PolarHBondContact O-N 3.29Å
355	E	60.5	Low	69.7	Low	131 Å²	131	81.5 Å²	81.5	61%	0.612	40%	0.402	S	S	*	.			trans	-62.4	141.6	175.5	-66.5	163.7	148.1	0	0	110.4	T353 F368	T353-E355 WeakPolarHBondContact CB-OE2 3.43Å; T353-E355 PolarHBondContact O-N 3.08Å; T353-E355 PolarHBondContact OG1-OE2 3.11Å; E355-F368 WeakPolarHBondContact O-CD1 3.34Å; E355-F368 WeakPolarHBondContact O-CE1 3.32Å
356	K	71	Confident	70.1	Confident	97 Å²	97	82.5 Å²	82.5	42%	0.422	41%	0.41	S	S	.	.			trans	-133.7	87.1	-179.3	-65.6	-166.8	-167.1	176.2	0	107.8	Y358 S366 F367 F368	K356-Y358 PolarHBondContact O-N 3.39Å; K356-S366 WeakPolarHBondContact CD-O 3.29Å; K356-S366 WeakPolarHBondContact O-CB 3.45Å; K356-F367 CarbonylContact C-O 3.41Å; K356-F367 WeakPolarHBondContact CA-O 3.47Å; K356-F367 WeakPolarHBondContact CB-O 3.24Å; K356-F368 HydrophobicContact CD-CE1 4.4Å; K356-F368 HydrophobicContact CD-CE2 4.23Å; K356-F368 HydrophobicContact CD-CZ 4.17Å; K356-F368 HydrophobicContact CG-CD1 3.84Å; K356-F368 HydrophobicContact CG-CD2 4.48Å; K356-F368 HydrophobicContact CG-CE1 3.62Å; K356-F368 HydrophobicContact CG-CE2 4.29Å; K356-F368 HydrophobicContact CG-CG 4.27Å; K356-F368 HydrophobicContact CG-CZ 3.87Å
357	P	70.1	Confident	70.5	Confident	83 Å²	83	81 Å²	81	54%	0.539	40%	0.401	S	S	.	.			trans	-59.9	-35.8	-170.9	-26	35.5	0	0	0	112.8	K359	P357-K359 PolarHBondContact O-N 3.21Å; P357-K359 VanDerWaalsContact O-N 3.14Å
358	Y	74.3	Confident	70.6	Confident	79 Å²	79	81 Å²	81	31%	0.31	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	90.4	-170.8	-49.6	-69.9	0	0	0	110.7	K356 S366 F367 Q369 V370	K356-Y358 PolarHBondContact O-N 3.39Å; Y358-S366 CarbonylContact O-C 3.31Å; Y358-S366 VanDerWaalsContact O-CA 3.32Å; Y358-S366 WeakPolarHBondContact O-CA 3.38Å; Y358-F367 PolarHBondContact N-O 2.85Å; Y358-F367 PolarHBondContact O-N 3.1Å; Y358-Q369 VanDerWaalsContact CD2-C 3.42Å; Y358-V370 HydrophobicContact CD1-CG2 3.63Å; Y358-V370 HydrophobicContact CE1-CG2 3.33Å; Y358-V370 HydrophobicContact CE2-CG2 4.32Å; Y358-V370 HydrophobicContact CG-CG2 4.24Å
359	K	75	Confident	70.5	Confident	123 Å²	123	83.2 Å²	83.2	54%	0.535	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.7	178	-173.6	-178.7	175.4	-169.9	0	111.3	P357	P357-K359 PolarHBondContact O-N 3.21Å; P357-K359 VanDerWaalsContact O-N 3.14Å
360	C	79.5	Confident	70.6	Confident	1 Å²	1	84.9 Å²	84.9	1%	0.007	42%	0.423	C	S	.	.			trans	-77.1	121.2	168.2	172.6	0	0	0	0	109.9	G364 K365 F367 L373 H380	C360-G364 VanDerWaalsContact O-CA 3.23Å; C360-G364 WeakPolarHBondContact O-CA 3.4Å; C360-G364 PolarHBondContact O-N 3.23Å; C360-K365 VanDerWaalsContact CB-O 3.3Å; C360-K365 WeakPolarHBondContact CB-O 3.3Å; C360-K365 PolarHBondContact N-O 3.07Å; C360-F367 HydrophobicContact CB-CE2 4.44Å; C360-L373 HydrophobicContact CB-CD1 3.53Å; C360-H380 PolarHBondContact SG-NE2 3.45Å
361	N	77.3	Confident	70.6	Confident	155 Å²	155	84 Å²	84	83%	0.829	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-37.9	-177.4	-66.5	-17.9	0	0	0	112.3	C363	N361-C363 PolarHBondContact O-N 3.44Å
362	E	73.6	Confident	71	Confident	120 Å²	120	81.9 Å²	81.9	56%	0.561	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-26.8	-174	-59.9	165.4	106.3	0	0	114.3	H380	E362-H380 IonicContact OE2-CD2 3.36Å; E362-H380 PolarHBondContact OE2-CD2 3.47Å; E362-H380 IonicContact OE2-CG 3.86Å
363	C	74.7	Confident	71.4	Confident	52 Å²	52	79.5 Å²	79.5	35%	0.351	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.9	10.2	-176.6	75.8	0	0	0	0	115.2	N361 K365 H376 H380	N361-C363 PolarHBondContact O-N 3.44Å; C363-K365 PolarHBondContact O-N 3.14Å; C363-K365 PolarHBondContact SG-NZ 3.04Å; C363-H376 PolarHBondContact SG-NE2 3.41Å; C363-H380 PolarHBondContact SG-CE1 2.91Å; C363-H380 PolarHBondContact SG-NE2 2.78Å; C363-H380 VanDerWaalsContact SG-NE2 3.38Å
364	G	73.7	Confident	71.8	Confident	39 Å²	39	80.7 Å²	80.7	40%	0.402	41%	0.407	S	S	.	.			trans	68.3	-0.4	174.2	0	0	0	0	0	116.7	C360	C360-G364 VanDerWaalsContact O-CA 3.23Å; C360-G364 WeakPolarHBondContact O-CA 3.4Å; C360-G364 PolarHBondContact O-N 3.23Å
365	K	74.1	Confident	72.4	Confident	107 Å²	107	75.3 Å²	75.3	47%	0.465	39%	0.387	S	S	.	.			trans	-71.9	131.7	179.5	-62.8	-172.9	-155.2	98.2	0	110.9	C360 C363 F367 H376	C360-K365 VanDerWaalsContact CB-O 3.3Å; C360-K365 WeakPolarHBondContact CB-O 3.3Å; C360-K365 PolarHBondContact N-O 3.07Å; C363-K365 PolarHBondContact O-N 3.14Å; C363-K365 PolarHBondContact SG-NZ 3.04Å; K365-F367 HydrophobicContact CB-CE2 3.87Å; K365-F367 HydrophobicContact CB-CZ 4.02Å; K365-F367 VanDerWaalsContact O-CE2 3.27Å; K365-F367 WeakPolarHBondContact O-CE2 3.48Å; K365-H376 PolarHBondContact NZ-CE1 2.93Å; K365-H376 VanDerWaalsContact NZ-CE1 3.32Å; K365-H376 PolarHBondContact NZ-NE2 2.96Å
366	S	76.3	Confident	73.1	Confident	38 Å²	38	70.1 Å²	70.1	27%	0.266	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	152.6	177.1	-50.8	0	0	0	0	114	K356 Y358	K356-S366 WeakPolarHBondContact CD-O 3.29Å; K356-S366 WeakPolarHBondContact O-CB 3.45Å; Y358-S366 CarbonylContact O-C 3.31Å; Y358-S366 VanDerWaalsContact O-CA 3.32Å; Y358-S366 WeakPolarHBondContact O-CA 3.38Å
367	F	76.8	Confident	73.1	Confident	45 Å²	45	68.9 Å²	68.9	20%	0.197	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	159.4	-174.3	-58.2	-89.9	0	0	0	112	K356 Y358 C360 K365 L373 H376	K356-F367 CarbonylContact C-O 3.41Å; K356-F367 WeakPolarHBondContact CA-O 3.47Å; K356-F367 WeakPolarHBondContact CB-O 3.24Å; Y358-F367 PolarHBondContact N-O 2.85Å; Y358-F367 PolarHBondContact O-N 3.1Å; C360-F367 HydrophobicContact CB-CE2 4.44Å; K365-F367 HydrophobicContact CB-CE2 3.87Å; K365-F367 HydrophobicContact CB-CZ 4.02Å; K365-F367 VanDerWaalsContact O-CE2 3.27Å; K365-F367 WeakPolarHBondContact O-CE2 3.48Å; F367-L373 HydrophobicContact CB-CB 4.3Å; F367-L373 HydrophobicContact CD2-CB 3.96Å; F367-L373 HydrophobicContact CD2-CD1 3.91Å; F367-L373 HydrophobicContact CE2-CD1 4.14Å; F367-L373 HydrophobicContact CG-CB 4.31Å; F367-H376 HydrophobicContact CE1-CB 4.05Å; F367-H376 HydrophobicContact CE2-CB 3.9Å; F367-H376 AromaticContact CE2-CD2 3.35Å; F367-H376 WeakPolarHBondContact CE2-CD2 3.21Å; F367-H376 AromaticContact CE2-CG 3.82Å; F367-H376 HydrophobicContact CZ-CB 3.53Å; F367-H376 AromaticContact CZ-CD2 3.29Å; F367-H376 WeakPolarHBondContact CZ-CD2 3.24Å; F367-H376 AromaticContact CZ-CG 3.39Å
368	F	65.7	Low	73.3	Confident	66 Å²	66	65.6 Å²	65.6	29%	0.289	34%	0.337	S	S	.	.	S	Bend	trans	-87.2	-9.8	179.3	-62	-75.5	0	0	0	113.9	K350 E355 K356	K350-F368 VanDerWaalsContact O-CE1 3.29Å; K350-F368 WeakPolarHBondContact O-CE1 3.48Å; E355-F368 WeakPolarHBondContact O-CD1 3.34Å; E355-F368 WeakPolarHBondContact O-CE1 3.32Å; K356-F368 HydrophobicContact CD-CE1 4.4Å; K356-F368 HydrophobicContact CD-CE2 4.23Å; K356-F368 HydrophobicContact CD-CZ 4.17Å; K356-F368 HydrophobicContact CG-CD1 3.84Å; K356-F368 HydrophobicContact CG-CD2 4.48Å; K356-F368 HydrophobicContact CG-CE1 3.62Å; K356-F368 HydrophobicContact CG-CE2 4.29Å; K356-F368 HydrophobicContact CG-CG 4.27Å; K356-F368 HydrophobicContact CG-CZ 3.87Å
369	Q	68	Low	73	Confident	69 Å²	69	65.6 Å²	65.6	32%	0.322	35%	0.345	S	S	.	.	S	Bend	trans	-141.4	147.7	-177.1	-60.3	163	-36.4	0	0	110	M347 Y358 S372 L373	M347-Q369 HydrophobicContact CG-CG 4.44Å; M347-Q369 HydrophobicContact SD-CG 3.97Å; M347-Q369 PolarHBondContact SD-NE2 3.35Å; Y358-Q369 VanDerWaalsContact CD2-C 3.42Å; Q369-S372 PolarHBondContact O-N 3.01Å; Q369-S372 PolarHBondContact OE1-OG 2.82Å; Q369-L373 PolarHBondContact O-N 2.81Å; Q369-L373 VanDerWaalsContact O-N 3.17Å
370	V	70.7	Confident	72.9	Confident	85 Å²	85	63 Å²	63	52%	0.515	34%	0.335	S	S	.	.	H	α-helix	trans	-58.6	-49.4	171.5	-177.7	0	0	0	0	110.9	Y358 S372 L373 L374	Y358-V370 HydrophobicContact CD1-CG2 3.63Å; Y358-V370 HydrophobicContact CE1-CG2 3.33Å; Y358-V370 HydrophobicContact CE2-CG2 4.32Å; Y358-V370 HydrophobicContact CG-CG2 4.24Å; V370-S372 PolarHBondContact O-N 3.2Å; V370-S372 VanDerWaalsContact O-N 3.14Å; V370-L373 CarbonylContact O-C 3.56Å; V370-L373 WeakPolarHBondContact O-CA 3.23Å; V370-L373 WeakPolarHBondContact O-CB 3.35Å; V370-L373 PolarHBondContact O-N 3.43Å; V370-L374 PolarHBondContact O-N 3.38Å
371	S	68.8	Low	72.3	Confident	61 Å²	61	66.8 Å²	66.8	43%	0.427	36%	0.358	S	S	.	.	H	α-helix	trans	-58.7	-28.4	178.2	58.9	0	0	0	0	113.7	R375	S371-R375 WeakPolarHBondContact O-CB 3.36Å; S371-R375 PolarHBondContact O-N 2.87Å
372	S	72.3	Confident	71.7	Confident	17 Å²	17	61.5 Å²	61.5	12%	0.119	34%	0.341	C	S	.	.	H	α-helix	trans	-78.2	-27.8	173.1	-77.6	0	0	0	0	113.6	Q369 V370 R375 H376	Q369-S372 PolarHBondContact O-N 3.01Å; Q369-S372 PolarHBondContact OE1-OG 2.82Å; V370-S372 PolarHBondContact O-N 3.2Å; V370-S372 VanDerWaalsContact O-N 3.14Å; S372-R375 PolarHBondContact OG-NH2 2.85Å; S372-H376 PolarHBondContact O-N 3.14Å
373	L	76.6	Confident	71.4	Confident	20 Å²	20	60.8 Å²	60.8	11%	0.105	34%	0.337	C	S	.	.	H	α-helix	trans	-76	-47.9	170.9	168.6	60	0	0	0	111.2	C360 F367 Q369 V370 R375 H376 Q377	C360-L373 HydrophobicContact CB-CD1 3.53Å; F367-L373 HydrophobicContact CB-CB 4.3Å; F367-L373 HydrophobicContact CD2-CB 3.96Å; F367-L373 HydrophobicContact CD2-CD1 3.91Å; F367-L373 HydrophobicContact CE2-CD1 4.14Å; F367-L373 HydrophobicContact CG-CB 4.31Å; Q369-L373 PolarHBondContact O-N 2.81Å; Q369-L373 VanDerWaalsContact O-N 3.17Å; V370-L373 CarbonylContact O-C 3.56Å; V370-L373 WeakPolarHBondContact O-CA 3.23Å; V370-L373 WeakPolarHBondContact O-CB 3.35Å; V370-L373 PolarHBondContact O-N 3.43Å; L373-R375 PolarHBondContact O-N 3.21Å; L373-H376 CarbonylContact O-C 3.59Å; L373-H376 VanDerWaalsContact O-CA 3.28Å; L373-H376 WeakPolarHBondContact O-CA 3.48Å; L373-H376 VanDerWaalsContact O-CB 3.26Å; L373-H376 WeakPolarHBondContact O-CB 3.45Å; L373-H376 PolarHBondContact O-N 3.04Å; L373-Q377 HydrophobicContact CD1-CG 4.28Å; L373-Q377 PolarHBondContact O-N 3.12Å
374	L	70.5	Confident	71	Confident	87 Å²	87	65.1 Å²	65.1	46%	0.455	35%	0.35	S	S	.	.	H	α-helix	trans	-59.1	-47.8	179.8	-172.4	65.1	0	0	0	111.2	V370 H376 Q377 T378	V370-L374 PolarHBondContact O-N 3.38Å; L374-H376 PolarHBondContact O-N 3.36Å; L374-H376 VanDerWaalsContact O-N 3.16Å; L374-Q377 WeakPolarHBondContact O-CB 3.38Å; L374-Q377 PolarHBondContact O-N 3.06Å; L374-T378 PolarHBondContact O-N 3.16Å
375	R	70.4	Confident	70.8	Confident	107 Å²	107	68.8 Å²	68.8	40%	0.404	36%	0.36	S	S	.	.	H	α-helix	trans	-58	-27.7	170.5	-179.7	178.4	61	-140.8	-6.9	113.2	S371 S372 L373 T378 L397	S371-R375 WeakPolarHBondContact O-CB 3.36Å; S371-R375 PolarHBondContact O-N 2.87Å; S372-R375 PolarHBondContact OG-NH2 2.85Å; L373-R375 PolarHBondContact O-N 3.21Å; R375-T378 PolarHBondContact O-OG1 3.39Å; R375-L397 HydrophobicContact CG-CD2 4.47Å
376	H	76.1	Confident	70.7	Confident	21 Å²	21	67 Å²	67	10%	0.097	35%	0.352	C	S	.	.	H	α-helix	trans	-77.5	-35.5	173.1	178.5	37.4	0	0	0	112.5	C363 K365 F367 S372 L373 L374 T378 T379 H380	C363-H376 PolarHBondContact SG-NE2 3.41Å; K365-H376 PolarHBondContact NZ-CE1 2.93Å; K365-H376 VanDerWaalsContact NZ-CE1 3.32Å; K365-H376 PolarHBondContact NZ-NE2 2.96Å; F367-H376 HydrophobicContact CE1-CB 4.05Å; F367-H376 HydrophobicContact CE2-CB 3.9Å; F367-H376 AromaticContact CE2-CD2 3.35Å; F367-H376 WeakPolarHBondContact CE2-CD2 3.21Å; F367-H376 AromaticContact CE2-CG 3.82Å; F367-H376 HydrophobicContact CZ-CB 3.53Å; F367-H376 AromaticContact CZ-CD2 3.29Å; F367-H376 WeakPolarHBondContact CZ-CD2 3.24Å; F367-H376 AromaticContact CZ-CG 3.39Å; S372-H376 PolarHBondContact O-N 3.14Å; L373-H376 CarbonylContact O-C 3.59Å; L373-H376 VanDerWaalsContact O-CA 3.28Å; L373-H376 WeakPolarHBondContact O-CA 3.48Å; L373-H376 VanDerWaalsContact O-CB 3.26Å; L373-H376 WeakPolarHBondContact O-CB 3.45Å; L373-H376 PolarHBondContact O-N 3.04Å; L374-H376 PolarHBondContact O-N 3.36Å; L374-H376 VanDerWaalsContact O-N 3.16Å; H376-T378 PolarHBondContact O-N 3Å; H376-T379 PolarHBondContact CE1-OG1 3.18Å; H376-T379 PolarHBondContact ND1-OG1 3.24Å; H376-T379 WeakPolarHBondContact O-CB 3.45Å; H376-T379 PolarHBondContact O-N 2.91Å; H376-T379 PolarHBondContact O-OG1 3.35Å; H376-H380 AromaticContact CD2-NE2 3.84Å; H376-H380 AromaticContact CE1-CE1 3.49Å; H376-H380 PolarHBondContact CE1-CE1 3.05Å; H376-H380 VanDerWaalsContact CE1-CE1 3.49Å; H376-H380 AromaticContact CE1-NE2 3.26Å; H376-H380 PolarHBondContact CE1-NE2 2.87Å; H376-H380 VanDerWaalsContact CE1-NE2 3.26Å; H376-H380 AromaticContact NE2-CE1 3.59Å; H376-H380 AromaticContact NE2-NE2 3.08Å; H376-H380 PolarHBondContact NE2-NE2 3.43Å
377	Q	71.7	Confident	70.6	Confident	71 Å²	71	71.1 Å²	71.1	33%	0.332	37%	0.367	S	S	.	.	H	α-helix	trans	-60.5	-34.3	176.7	-70.9	165.5	-88	0	0	112	L373 L374 T379 H380 T381	L373-Q377 HydrophobicContact CD1-CG 4.28Å; L373-Q377 PolarHBondContact O-N 3.12Å; L374-Q377 WeakPolarHBondContact O-CB 3.38Å; L374-Q377 PolarHBondContact O-N 3.06Å; Q377-T379 PolarHBondContact O-N 3.25Å; Q377-H380 PolarHBondContact O-N 2.76Å; Q377-T381 PolarHBondContact O-N 3.47Å; Q377-T381 PolarHBondContact O-OG1 3.3Å
378	T	73.1	Confident	70.7	Confident	14 Å²	14	69 Å²	69	9%	0.086	36%	0.358	C	S	.	.	H	α-helix	trans	-55.5	-18	170.3	74.3	0	0	0	0	114.5	L374 R375 H376 T381 G382 E383 L385 S396	L374-T378 PolarHBondContact O-N 3.16Å; R375-T378 PolarHBondContact O-OG1 3.39Å; H376-T378 PolarHBondContact O-N 3Å; T378-T381 WeakPolarHBondContact CA-OG1 3.45Å; T378-G382 WeakPolarHBondContact O-CA 3.46Å; T378-G382 PolarHBondContact O-N 2.82Å; T378-G382 VanDerWaalsContact O-N 3.14Å; T378-E383 PolarHBondContact O-N 3.02Å; T378-L385 HydrophobicContact CG2-CD1 4.19Å; T378-S396 VanDerWaalsContact OG1-CB 3.27Å; T378-S396 WeakPolarHBondContact OG1-CB 3.28Å
379	T	69.2	Low	71.2	Confident	79 Å²	79	71 Å²	71	49%	0.485	38%	0.38	S	S	.	.	H	α-helix	trans	-87.1	-7.1	176.9	71.1	0	0	0	0	114.2	H376 Q377	H376-T379 PolarHBondContact CE1-OG1 3.18Å; H376-T379 PolarHBondContact ND1-OG1 3.24Å; H376-T379 WeakPolarHBondContact O-CB 3.45Å; H376-T379 PolarHBondContact O-N 2.91Å; H376-T379 PolarHBondContact O-OG1 3.35Å; Q377-T379 PolarHBondContact O-N 3.25Å
380	H	72.3	Confident	71.5	Confident	70 Å²	70	73.3 Å²	73.3	32%	0.324	39%	0.391	S	S	.	.	H	α-helix	trans	-103.3	-46.5	171.9	-52.8	-58	0	0	0	111.1	C360 E362 C363 H376 Q377 G382	C360-H380 PolarHBondContact SG-NE2 3.45Å; E362-H380 IonicContact OE2-CD2 3.36Å; E362-H380 PolarHBondContact OE2-CD2 3.47Å; E362-H380 IonicContact OE2-CG 3.86Å; C363-H380 PolarHBondContact SG-CE1 2.91Å; C363-H380 PolarHBondContact SG-NE2 2.78Å; C363-H380 VanDerWaalsContact SG-NE2 3.38Å; H376-H380 AromaticContact CD2-NE2 3.84Å; H376-H380 AromaticContact CE1-CE1 3.49Å; H376-H380 PolarHBondContact CE1-CE1 3.05Å; H376-H380 VanDerWaalsContact CE1-CE1 3.49Å; H376-H380 AromaticContact CE1-NE2 3.26Å; H376-H380 PolarHBondContact CE1-NE2 2.87Å; H376-H380 VanDerWaalsContact CE1-NE2 3.26Å; H376-H380 AromaticContact NE2-CE1 3.59Å; H376-H380 AromaticContact NE2-NE2 3.08Å; H376-H380 PolarHBondContact NE2-NE2 3.43Å; Q377-H380 PolarHBondContact O-N 2.76Å; H380-G382 PolarHBondContact O-N 3.15Å
381	T	67.2	Low	71.8	Confident	79 Å²	79	71.7 Å²	71.7	49%	0.485	38%	0.383	S	S	.	.	H	α-helix	trans	-62.2	-28.3	171.8	60.3	0	0	0	0	112.2	Q377 T378 E383	Q377-T381 PolarHBondContact O-N 3.47Å; Q377-T381 PolarHBondContact O-OG1 3.3Å; T378-T381 WeakPolarHBondContact CA-OG1 3.45Å; T381-E383 VanDerWaalsContact C-N 3.29Å; T381-E383 VanDerWaalsContact CB-OE2 3.26Å; T381-E383 WeakPolarHBondContact CB-OE2 3.25Å; T381-E383 WeakPolarHBondContact OG1-CG 3.35Å; T381-E383 PolarHBondContact OG1-N 3.26Å; T381-E383 PolarHBondContact OG1-OE2 3.43Å
382	G	64.4	Low	72	Confident	45 Å²	45	71.1 Å²	71.1	46%	0.464	39%	0.387	S	S	.	.			trans	79.5	10.8	-178.7	0	0	0	0	0	114	T378 H380	T378-G382 WeakPolarHBondContact O-CA 3.46Å; T378-G382 PolarHBondContact O-N 2.82Å; T378-G382 VanDerWaalsContact O-N 3.14Å; H380-G382 PolarHBondContact O-N 3.15Å
383	E	65.9	Low	72	Confident	104 Å²	104	75.6 Å²	75.6	49%	0.486	40%	0.404	S	S	.	.			trans	-61.6	137.8	-177.4	-70.9	158.9	141.9	0	0	112.5	T378 T381	T378-E383 PolarHBondContact O-N 3.02Å; T381-E383 VanDerWaalsContact C-N 3.29Å; T381-E383 VanDerWaalsContact CB-OE2 3.26Å; T381-E383 WeakPolarHBondContact CB-OE2 3.25Å; T381-E383 WeakPolarHBondContact OG1-CG 3.35Å; T381-E383 PolarHBondContact OG1-N 3.26Å; T381-E383 PolarHBondContact OG1-OE2 3.43Å
384	K	66.7	Low	71.7	Confident	143 Å²	143	75.7 Å²	75.7	62%	0.622	41%	0.409	S	S	*	.			trans	-121.1	62.7	-169.1	-79.9	164.2	-178.3	167.4	0	110.3	F386	K384-F386 PolarHBondContact O-N 3.47Å
385	L	69.3	Low	71.9	Confident	116 Å²	116	74 Å²	74	61%	0.607	40%	0.398	S	S	*	.	S	Bend	trans	-51.4	-22.8	-175.7	-59.4	173.9	0	0	0	114.5	T378 F395	T378-L385 HydrophobicContact CG2-CD1 4.19Å; L385-F395 PolarHBondContact N-O 2.99Å
386	F	72	Confident	71.9	Confident	70 Å²	70	70.9 Å²	70.9	31%	0.307	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	101.8	-178.6	-54.6	-77.1	0	0	0	111.6	K384 G394 F395 L397 N398 L401	K384-F386 PolarHBondContact O-N 3.47Å; F386-G394 CarbonylContact O-C 3.17Å; F386-G394 WeakPolarHBondContact O-CA 3.32Å; F386-F395 PolarHBondContact N-O 3.35Å; F386-F395 PolarHBondContact O-N 3.37Å; F386-L397 VanDerWaalsContact CD2-C 3.44Å; F386-N398 HydrophobicContact CD1-CB 3.69Å; F386-N398 HydrophobicContact CD2-CB 4.24Å; F386-N398 HydrophobicContact CE1-CB 3.7Å; F386-N398 HydrophobicContact CE2-CB 4.24Å; F386-N398 HydrophobicContact CG-CB 3.97Å; F386-N398 HydrophobicContact CZ-CB 3.98Å; F386-L401 HydrophobicContact CB-CB 4.17Å; F386-L401 HydrophobicContact CB-CD2 3.85Å
387	E	74.8	Confident	71.8	Confident	124 Å²	124	72.8 Å²	72.8	58%	0.579	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	139.3	178.8	-174.9	159.1	-147.7	0	0	113.9	S389 G392	E387-S389 PolarHBondContact O-N 3.33Å; E387-G392 WeakPolarHBondContact OE1-CA 3.39Å
388	C	79.4	Confident	71.9	Confident	0 Å²	0	73 Å²	73	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	103.3	172.4	-171.3	0	0	0	0	111.3	E390 C391 G392 K393 F395 L401 H408	C388-E390 PolarHBondContact O-N 2.92Å; C388-E390 VanDerWaalsContact O-N 3.07Å; C388-C391 PolarHBondContact O-N 2.93Å; C388-G392 PolarHBondContact O-N 2.97Å; C388-K393 HydrophobicContact CB-CB 4.26Å; C388-K393 WeakPolarHBondContact CB-O 3.35Å; C388-K393 PolarHBondContact N-O 2.97Å; C388-F395 HydrophobicContact CB-CE2 4.47Å; C388-L401 HydrophobicContact CB-CD1 3.5Å; C388-H408 PolarHBondContact SG-NE2 3.22Å
389	S	75.6	Confident	72	Confident	108 Å²	108	75.6 Å²	75.6	76%	0.755	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.6	-33.3	175.6	50.3	0	0	0	0	114.9	E387	E387-S389 PolarHBondContact O-N 3.33Å
390	E	74.9	Confident	72.3	Confident	118 Å²	118	73.3 Å²	73.3	55%	0.551	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-20.7	-179	-67.7	-176.4	-112.1	0	0	114.8	C388 H408	C388-E390 PolarHBondContact O-N 2.92Å; C388-E390 VanDerWaalsContact O-N 3.07Å; E390-H408 IonicContact OE1-CD2 3.89Å; E390-H408 VanDerWaalsContact OE2-CB 3.23Å; E390-H408 WeakPolarHBondContact OE2-CB 3.32Å; E390-H408 IonicContact OE2-CD2 3.38Å; E390-H408 IonicContact OE2-CG 2.92Å
391	C	76.9	Confident	72.6	Confident	51 Å²	51	70.6 Å²	70.6	35%	0.345	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.3	17.9	-175.5	84	0	0	0	0	117.2	C388 K393 H404 H408	C388-C391 PolarHBondContact O-N 2.93Å; C391-K393 VanDerWaalsContact C-N 3.3Å; C391-K393 PolarHBondContact O-N 3.49Å; C391-K393 VanDerWaalsContact SG-CD 3.58Å; C391-H404 PolarHBondContact SG-NE2 3.45Å; C391-H408 VanDerWaalsContact SG-CE1 3.55Å
392	G	72.6	Confident	73	Confident	50 Å²	50	70.4 Å²	70.4	52%	0.515	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	34.1	174.1	0	0	0	0	0	114.3	E387 C388	E387-G392 WeakPolarHBondContact OE1-CA 3.39Å; C388-G392 PolarHBondContact O-N 2.97Å
393	K	72.3	Confident	73.6	Confident	111 Å²	111	71.9 Å²	71.9	48%	0.483	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	108.6	179.8	-78.3	-178.8	-168.7	147.4	0	110.4	C388 C391 F395	C388-K393 HydrophobicContact CB-CB 4.26Å; C388-K393 WeakPolarHBondContact CB-O 3.35Å; C388-K393 PolarHBondContact N-O 2.97Å; C391-K393 VanDerWaalsContact C-N 3.3Å; C391-K393 PolarHBondContact O-N 3.49Å; C391-K393 VanDerWaalsContact SG-CD 3.58Å; K393-F395 HydrophobicContact CB-CE2 3.81Å; K393-F395 HydrophobicContact CB-CZ 4.19Å; K393-F395 WeakPolarHBondContact O-CD2 3.41Å; K393-F395 WeakPolarHBondContact O-CE2 3.35Å
394	G	70.3	Confident	74.2	Confident	21 Å²	21	67.7 Å²	67.7	22%	0.216	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	143.5	172.1	0	0	0	0	0	114.4	F386	F386-G394 CarbonylContact O-C 3.17Å; F386-G394 WeakPolarHBondContact O-CA 3.32Å
395	F	74.9	Confident	74.8	Confident	51 Å²	51	63.3 Å²	63.3	22%	0.224	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.8	177.1	-61.4	-93.5	0	0	0	110.1	L385 F386 C388 K393 L397 A400 L401 H404	L385-F395 PolarHBondContact N-O 2.99Å; F386-F395 PolarHBondContact N-O 3.35Å; F386-F395 PolarHBondContact O-N 3.37Å; C388-F395 HydrophobicContact CB-CE2 4.47Å; K393-F395 HydrophobicContact CB-CE2 3.81Å; K393-F395 HydrophobicContact CB-CZ 4.19Å; K393-F395 WeakPolarHBondContact O-CD2 3.41Å; K393-F395 WeakPolarHBondContact O-CE2 3.35Å; F395-L397 PolarHBondContact O-N 3.13Å; F395-A400 HydrophobicContact CB-CB 4.29Å; F395-A400 HydrophobicContact CD1-CB 3.84Å; F395-A400 HydrophobicContact CG-CB 4.32Å; F395-L401 HydrophobicContact CD2-CB 4.06Å; F395-L401 HydrophobicContact CD2-CD1 4.04Å; F395-L401 HydrophobicContact CE2-CD1 4.15Å; F395-L401 HydrophobicContact CG-CB 4.43Å; F395-H404 HydrophobicContact CE1-CB 4.11Å; F395-H404 HydrophobicContact CE2-CB 3.94Å; F395-H404 AromaticContact CE2-CD2 3.29Å; F395-H404 WeakPolarHBondContact CE2-CD2 3.45Å; F395-H404 AromaticContact CE2-CG 3.8Å; F395-H404 HydrophobicContact CZ-CB 3.51Å; F395-H404 AromaticContact CZ-CD2 3.33Å; F395-H404 WeakPolarHBondContact CZ-CD2 3.45Å; F395-H404 AromaticContact CZ-CG 3.4Å; F395-H404 VanDerWaalsContact CZ-CG 3.4Å
396	S	70.3	Confident	75.3	Confident	42 Å²	42	61.8 Å²	61.8	29%	0.294	35%	0.346	S	S	.	.	S	Bend	trans	-83.7	8.8	172	54.1	0	0	0	0	113.9	T378	T378-S396 VanDerWaalsContact OG1-CB 3.27Å; T378-S396 WeakPolarHBondContact OG1-CB 3.28Å
397	L	73.2	Confident	75.3	Confident	62 Å²	62	63.5 Å²	63.5	33%	0.325	36%	0.357	S	S	.	.			trans	-150	125.3	-179.1	-89.4	177.9	0	0	0	111	R375 F386 F395 S399 A400 L401	R375-L397 HydrophobicContact CG-CD2 4.47Å; F386-L397 VanDerWaalsContact CD2-C 3.44Å; F395-L397 PolarHBondContact O-N 3.13Å; L397-S399 PolarHBondContact O-N 3.43Å; L397-A400 HydrophobicContact CB-CB 3.95Å; L397-A400 WeakPolarHBondContact O-CA 3.35Å; L397-A400 WeakPolarHBondContact O-CB 3.31Å; L397-A400 PolarHBondContact O-N 3.05Å; L397-L401 PolarHBondContact O-N 3.38Å; L397-L401 VanDerWaalsContact O-N 3.09Å
398	N	74.3	Confident	75.2	Confident	76 Å²	76	60.7 Å²	60.7	41%	0.406	34%	0.344	S	S	.	.	H	α-helix	trans	-56.8	-37.8	171.9	-168.4	4.3	0	0	0	111.7	F386 A400 L401 N402	F386-N398 HydrophobicContact CD1-CB 3.69Å; F386-N398 HydrophobicContact CD2-CB 4.24Å; F386-N398 HydrophobicContact CE1-CB 3.7Å; F386-N398 HydrophobicContact CE2-CB 4.24Å; F386-N398 HydrophobicContact CG-CB 3.97Å; F386-N398 HydrophobicContact CZ-CB 3.98Å; N398-A400 VanDerWaalsContact C-N 3.25Å; N398-A400 PolarHBondContact O-N 3.11Å; N398-L401 PolarHBondContact O-N 3.36Å; N398-L401 VanDerWaalsContact O-N 3.16Å; N398-N402 WeakPolarHBondContact O-CB 3.4Å; N398-N402 PolarHBondContact O-N 3.4Å; N398-N402 PolarHBondContact O-ND2 3.09Å; N398-N402 PolarHBondContact OD1-ND2 3.41Å
399	S	75.4	Confident	74.9	Confident	67 Å²	67	64.5 Å²	64.5	47%	0.469	37%	0.367	S	S	.	.	H	α-helix	trans	-61.6	-31.2	174.5	59.1	0	0	0	0	113.3	L397 I403	L397-S399 PolarHBondContact O-N 3.43Å; S399-I403 WeakPolarHBondContact O-CB 3.45Å; S399-I403 VanDerWaalsContact O-CD1 3.25Å; S399-I403 WeakPolarHBondContact O-CD1 3.49Å; S399-I403 WeakPolarHBondContact O-CG1 3.25Å; S399-I403 PolarHBondContact O-N 3.14Å
400	A	74.6	Confident	74.5	Confident	31 Å²	31	61.2 Å²	61.2	26%	0.256	35%	0.351	S	S	.	.	H	α-helix	trans	-76	-36.7	174.1	0	0	0	0	0	112	F395 L397 N398 I403 H404	F395-A400 HydrophobicContact CB-CB 4.29Å; F395-A400 HydrophobicContact CD1-CB 3.84Å; F395-A400 HydrophobicContact CG-CB 4.32Å; L397-A400 HydrophobicContact CB-CB 3.95Å; L397-A400 WeakPolarHBondContact O-CA 3.35Å; L397-A400 WeakPolarHBondContact O-CB 3.31Å; L397-A400 PolarHBondContact O-N 3.05Å; N398-A400 VanDerWaalsContact C-N 3.25Å; N398-A400 PolarHBondContact O-N 3.11Å; A400-I403 PolarHBondContact O-N 3.09Å; A400-H404 WeakPolarHBondContact O-CB 3.46Å; A400-H404 PolarHBondContact O-N 2.88Å
401	L	79	Confident	74.4	Confident	13 Å²	13	59.2 Å²	59.2	7%	0.068	34%	0.341	C	S	.	.	H	α-helix	trans	-62	-49.1	171.3	174.7	58.2	0	0	0	111.6	F386 C388 F395 L397 N398 I403 H404 Q405	F386-L401 HydrophobicContact CB-CB 4.17Å; F386-L401 HydrophobicContact CB-CD2 3.85Å; C388-L401 HydrophobicContact CB-CD1 3.5Å; F395-L401 HydrophobicContact CD2-CB 4.06Å; F395-L401 HydrophobicContact CD2-CD1 4.04Å; F395-L401 HydrophobicContact CE2-CD1 4.15Å; F395-L401 HydrophobicContact CG-CB 4.43Å; L397-L401 PolarHBondContact O-N 3.38Å; L397-L401 VanDerWaalsContact O-N 3.09Å; N398-L401 PolarHBondContact O-N 3.36Å; N398-L401 VanDerWaalsContact O-N 3.16Å; L401-I403 PolarHBondContact O-N 3.11Å; L401-H404 CarbonylContact O-C 3.51Å; L401-H404 WeakPolarHBondContact O-CA 3.38Å; L401-H404 WeakPolarHBondContact O-CB 3.47Å; L401-H404 PolarHBondContact O-N 2.86Å; L401-Q405 HydrophobicContact CD1-CG 4.02Å; L401-Q405 HydrophobicContact CG-CG 4.45Å; L401-Q405 PolarHBondContact O-N 2.83Å
402	N	77.1	Confident	74.2	Confident	75 Å²	75	63.6 Å²	63.6	40%	0.401	35%	0.351	S	S	.	.	H	α-helix	trans	-61	-28.5	176.2	-73.1	-49.8	0	0	0	113.4	N398 Q405	N398-N402 WeakPolarHBondContact O-CB 3.4Å; N398-N402 PolarHBondContact O-N 3.4Å; N398-N402 PolarHBondContact O-ND2 3.09Å; N398-N402 PolarHBondContact OD1-ND2 3.41Å; N402-Q405 PolarHBondContact OD1-OE1 3.48Å
403	I	76.7	Confident	74.4	Confident	77 Å²	77	67.5 Å²	67.5	40%	0.395	36%	0.355	S	S	.	.	H	α-helix	trans	-75.2	-33.9	171	-77	164	0	0	0	111.3	S399 A400 L401 Q425	S399-I403 WeakPolarHBondContact O-CB 3.45Å; S399-I403 VanDerWaalsContact O-CD1 3.25Å; S399-I403 WeakPolarHBondContact O-CD1 3.49Å; S399-I403 WeakPolarHBondContact O-CG1 3.25Å; S399-I403 PolarHBondContact O-N 3.14Å; A400-I403 PolarHBondContact O-N 3.09Å; L401-I403 PolarHBondContact O-N 3.11Å; I403-Q425 VanDerWaalsContact CG2-NE2 3.27Å
404	H	78.9	Confident	74.7	Confident	15 Å²	15	65.2 Å²	65.2	7%	0.069	35%	0.346	C	S	.	.	H	α-helix	trans	-75.7	-41.5	179.9	173.4	39.2	0	0	0	113.1	C391 F395 A400 L401 K406 I407 H408	C391-H404 PolarHBondContact SG-NE2 3.45Å; F395-H404 HydrophobicContact CE1-CB 4.11Å; F395-H404 HydrophobicContact CE2-CB 3.94Å; F395-H404 AromaticContact CE2-CD2 3.29Å; F395-H404 WeakPolarHBondContact CE2-CD2 3.45Å; F395-H404 AromaticContact CE2-CG 3.8Å; F395-H404 HydrophobicContact CZ-CB 3.51Å; F395-H404 AromaticContact CZ-CD2 3.33Å; F395-H404 WeakPolarHBondContact CZ-CD2 3.45Å; F395-H404 AromaticContact CZ-CG 3.4Å; F395-H404 VanDerWaalsContact CZ-CG 3.4Å; A400-H404 WeakPolarHBondContact O-CB 3.46Å; A400-H404 PolarHBondContact O-N 2.88Å; L401-H404 CarbonylContact O-C 3.51Å; L401-H404 WeakPolarHBondContact O-CA 3.38Å; L401-H404 WeakPolarHBondContact O-CB 3.47Å; L401-H404 PolarHBondContact O-N 2.86Å; H404-K406 PolarHBondContact O-N 3.15Å; H404-K406 VanDerWaalsContact O-N 3.16Å; H404-I407 WeakPolarHBondContact O-CB 3.44Å; H404-I407 WeakPolarHBondContact O-CG1 3.16Å; H404-I407 PolarHBondContact O-N 2.81Å; H404-H408 AromaticContact CE1-CE1 3.72Å; H404-H408 AromaticContact CE1-NE2 3.48Å; H404-H408 PolarHBondContact CE1-NE2 3.03Å; H404-H408 AromaticContact NE2-CE1 3.9Å; H404-H408 AromaticContact NE2-NE2 3.33Å; H404-H408 PolarHBondContact NE2-NE2 3.11Å
405	Q	77.4	Confident	75.2	Confident	52 Å²	52	71.7 Å²	71.7	24%	0.243	37%	0.368	C	S	.	.	H	α-helix	trans	-56.8	-31.6	178.4	-74.7	161.8	-36.5	0	0	112.2	L401 N402 I407 H408 T409	L401-Q405 HydrophobicContact CD1-CG 4.02Å; L401-Q405 HydrophobicContact CG-CG 4.45Å; L401-Q405 PolarHBondContact O-N 2.83Å; N402-Q405 PolarHBondContact OD1-OE1 3.48Å; Q405-I407 PolarHBondContact O-N 3.14Å; Q405-H408 PolarHBondContact O-N 3.38Å; Q405-T409 PolarHBondContact O-N 3.41Å; Q405-T409 VanDerWaalsContact O-N 3.11Å
406	K	79.8	Confident	75.7	Confident	83 Å²	83	69.4 Å²	69.4	36%	0.361	36%	0.359	S	S	.	.	H	α-helix	trans	-65.4	-3.9	172.8	-64.5	178.8	-179.2	-175.6	0	114.8	H404 E411 T424	H404-K406 PolarHBondContact O-N 3.15Å; H404-K406 VanDerWaalsContact O-N 3.16Å; K406-E411 HydrophobicContact CB-CB 4.33Å; K406-E411 HydrophobicContact CG-CB 4.34Å; K406-E411 PolarHBondContact O-N 3.29Å; K406-T424 HydrophobicContact CB-CG2 4.25Å
407	I	73.1	Confident	76.3	Confident	107 Å²	107	72.4 Å²	72.4	55%	0.549	38%	0.38	S	S	.	.	H	α-helix	trans	-83.4	-35.9	167.5	-57.4	-179.5	0	0	0	110.5	H404 Q405	H404-I407 WeakPolarHBondContact O-CB 3.44Å; H404-I407 WeakPolarHBondContact O-CG1 3.16Å; H404-I407 PolarHBondContact O-N 2.81Å; Q405-I407 PolarHBondContact O-N 3.14Å
408	H	73.3	Confident	76.6	Confident	65 Å²	65	74.4 Å²	74.4	30%	0.301	39%	0.388	S	S	.	.	H	α-helix	trans	-80.4	-46.2	-179.8	-52.9	-52.7	0	0	0	111.7	C388 E390 C391 H404 Q405 G410	C388-H408 PolarHBondContact SG-NE2 3.22Å; E390-H408 IonicContact OE1-CD2 3.89Å; E390-H408 VanDerWaalsContact OE2-CB 3.23Å; E390-H408 WeakPolarHBondContact OE2-CB 3.32Å; E390-H408 IonicContact OE2-CD2 3.38Å; E390-H408 IonicContact OE2-CG 2.92Å; C391-H408 VanDerWaalsContact SG-CE1 3.55Å; H404-H408 AromaticContact CE1-CE1 3.72Å; H404-H408 AromaticContact CE1-NE2 3.48Å; H404-H408 PolarHBondContact CE1-NE2 3.03Å; H404-H408 AromaticContact NE2-CE1 3.9Å; H404-H408 AromaticContact NE2-NE2 3.33Å; H404-H408 PolarHBondContact NE2-NE2 3.11Å; Q405-H408 PolarHBondContact O-N 3.38Å; H408-G410 PolarHBondContact O-N 2.9Å; H408-G410 VanDerWaalsContact O-N 3.09Å
409	T	72.3	Confident	77	Confident	79 Å²	79	73.3 Å²	73.3	49%	0.485	39%	0.385	S	S	.	.	S	Bend	trans	-67	-8.7	173.2	67.6	0	0	0	0	113.5	Q405 E411	Q405-T409 PolarHBondContact O-N 3.41Å; Q405-T409 VanDerWaalsContact O-N 3.11Å; T409-E411 PolarHBondContact O-N 2.93Å; T409-E411 VanDerWaalsContact O-N 3.14Å; T409-E411 WeakPolarHBondContact OG1-CG 3.36Å
410	G	67.8	Low	77.1	Confident	40 Å²	40	72.7 Å²	72.7	41%	0.412	39%	0.389	S	S	.	.			trans	70.9	0.2	-178.5	0	0	0	0	0	115.1	H408 R412	H408-G410 PolarHBondContact O-N 2.9Å; H408-G410 VanDerWaalsContact O-N 3.09Å; G410-R412 WeakPolarHBondContact O-CG 3.49Å; G410-R412 PolarHBondContact O-N 3.36Å
411	E	71.8	Confident	77.3	Confident	76 Å²	76	74.8 Å²	74.8	36%	0.355	39%	0.393	S	S	.	.			trans	-59.6	103.8	-172	-82.4	180	-156	0	0	114.3	K406 T409 H413	K406-E411 HydrophobicContact CB-CB 4.33Å; K406-E411 HydrophobicContact CG-CB 4.34Å; K406-E411 PolarHBondContact O-N 3.29Å; T409-E411 PolarHBondContact O-N 2.93Å; T409-E411 VanDerWaalsContact O-N 3.14Å; T409-E411 WeakPolarHBondContact OG1-CG 3.36Å; E411-H413 IonicContact OE2-CE1 3.15Å; E411-H413 PolarHBondContact OE2-CE1 2.72Å; E411-H413 IonicContact OE2-ND1 3.6Å
412	R	72.7	Confident	77.5	Confident	142 Å²	142	75.4 Å²	75.4	54%	0.536	40%	0.399	S	S	.	.			trans	-122.2	67.5	-179.5	-68.4	165	-178	-137	12.9	111.3	G410 H414 A422 F423 T424	G410-R412 WeakPolarHBondContact O-CG 3.49Å; G410-R412 PolarHBondContact O-N 3.36Å; R412-H414 PolarHBondContact O-N 3.48Å; R412-A422 HydrophobicContact CB-CB 3.48Å; R412-A422 VanDerWaalsContact CB-CB 3.48Å; R412-A422 WeakPolarHBondContact CD-O 3.42Å; R412-A422 HydrophobicContact CG-CB 4.44Å; R412-A422 PolarHBondContact NH1-O 2.87Å; R412-F423 CarbonylContact C-O 3.56Å; R412-F423 WeakPolarHBondContact CA-O 3.35Å; R412-T424 HydrophobicContact CG-CG2 4.15Å
413	H	76.4	Confident	77.7	Confident	132 Å²	132	74 Å²	74	61%	0.611	39%	0.39	S	S	*	.			trans	-60	-24.8	-177.9	-67.5	104.1	0	0	0	114.4	E411 K415	E411-H413 IonicContact OE2-CE1 3.15Å; E411-H413 PolarHBondContact OE2-CE1 2.72Å; E411-H413 IonicContact OE2-ND1 3.6Å; H413-K415 PolarHBondContact O-N 3.19Å
414	H	80.3	Confident	77.8	Confident	64 Å²	64	72.5 Å²	72.5	30%	0.296	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	85.5	-176.6	-58.6	-59.6	0	0	0	111.4	R412 F423 Q425 K426 L429	R412-H414 PolarHBondContact O-N 3.48Å; H414-F423 HydrophobicContact CB-CB 4.33Å; H414-F423 WeakPolarHBondContact CB-O 3.42Å; H414-F423 PolarHBondContact N-O 2.8Å; H414-F423 VanDerWaalsContact N-O 3.11Å; H414-F423 PolarHBondContact O-N 3.25Å; H414-Q425 VanDerWaalsContact CD2-CA 3.49Å; H414-Q425 WeakPolarHBondContact CD2-CA 3.25Å; H414-K426 PolarHBondContact CD2-N 3.24Å; H414-K426 PolarHBondContact NE2-N 3.08Å; H414-L429 HydrophobicContact CB-CB 4.07Å; H414-L429 HydrophobicContact CB-CD2 3.83Å
415	K	79.6	Confident	77.8	Confident	156 Å²	156	74.5 Å²	74.5	68%	0.678	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	138.9	176.6	-62.4	178.5	-177.7	175.2	0	111.7	H413 A422	H413-K415 PolarHBondContact O-N 3.19Å; K415-A422 HydrophobicContact CG-CB 3.97Å
416	C	86.3	Confident	77.9	Confident	4 Å²	4	78.8 Å²	78.8	3%	0.027	41%	0.411	C	S	.	.			trans	-83.6	124.4	169.3	178.7	0	0	0	0	110.1	E418 G420 K421 F423 L429 H436	C416-E418 VanDerWaalsContact C-N 3.33Å; C416-E418 PolarHBondContact O-N 3.01Å; C416-G420 VanDerWaalsContact O-CA 3.24Å; C416-G420 WeakPolarHBondContact O-CA 3.49Å; C416-G420 PolarHBondContact O-N 3.18Å; C416-K421 WeakPolarHBondContact CB-O 3.29Å; C416-K421 PolarHBondContact N-O 3.13Å; C416-F423 HydrophobicContact CB-CE2 4.45Å; C416-L429 HydrophobicContact CB-CD1 3.6Å; C416-H436 PolarHBondContact SG-NE2 2.94Å; C416-H436 VanDerWaalsContact SG-NE2 3.39Å
417	S	82.3	Confident	77.9	Confident	105 Å²	105	78 Å²	78	73%	0.734	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-38.8	177.2	41.8	0	0	0	0	113.3
418	E	79.8	Confident	78.2	Confident	104 Å²	104	74.9 Å²	74.9	49%	0.486	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-21	-169.1	-63	165.1	-90.1	0	0	114.3	C416 H436	C416-E418 VanDerWaalsContact C-N 3.33Å; C416-E418 PolarHBondContact O-N 3.01Å; E418-H436 IonicContact OE1-CD2 3.62Å; E418-H436 PolarHBondContact OE1-CD2 2.97Å; E418-H436 IonicContact OE1-CG 3.78Å; E418-H436 WeakPolarHBondContact OE2-CB 3.4Å; E418-H436 IonicContact OE2-CD2 2.8Å; E418-H436 IonicContact OE2-CG 3.25Å
419	C	81.8	Confident	78.7	Confident	52 Å²	52	72.7 Å²	72.7	35%	0.351	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145	14.8	179.2	72.8	0	0	0	0	115.2	K421 H432 H436	C419-K421 PolarHBondContact O-N 2.84Å; C419-H432 PolarHBondContact SG-NE2 3.26Å; C419-H436 VanDerWaalsContact SG-CE1 3.51Å; C419-H436 PolarHBondContact SG-NE2 2.87Å; C419-H436 VanDerWaalsContact SG-NE2 3.44Å
420	G	79.1	Confident	79.2	Confident	54 Å²	54	77.2 Å²	77.2	56%	0.557	40%	0.401	S	S	*	.			trans	67.9	-8.2	177	0	0	0	0	0	116.2	C416 A422	C416-G420 VanDerWaalsContact O-CA 3.24Å; C416-G420 WeakPolarHBondContact O-CA 3.49Å; C416-G420 PolarHBondContact O-N 3.18Å; G420-A422 PolarHBondContact O-N 2.94Å
421	K	78.8	Confident	79.9	Confident	76 Å²	76	79.1 Å²	79.1	33%	0.33	40%	0.4	S	S	.	.			trans	-64.7	129.5	-174	-71.6	178.8	-173.5	173.9	0	111.5	F199 C416 C419 F423	F199-K421 HydrophobicContact CE2-CD 4.03Å; F199-K421 HydrophobicContact CZ-CD 3.98Å; C416-K421 WeakPolarHBondContact CB-O 3.29Å; C416-K421 PolarHBondContact N-O 3.13Å; C419-K421 PolarHBondContact O-N 2.84Å; K421-F423 HydrophobicContact CB-CE2 3.84Å; K421-F423 HydrophobicContact CB-CZ 4.11Å; K421-F423 WeakPolarHBondContact O-CD2 3.47Å; K421-F423 VanDerWaalsContact O-CE2 3.28Å; K421-F423 WeakPolarHBondContact O-CE2 3.35Å
422	A	82.1	Confident	80.4	Confident	25 Å²	25	76.1 Å²	76.1	21%	0.207	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136.1	-172.7	0	0	0	0	0	111.6	R412 K415 G420	R412-A422 HydrophobicContact CB-CB 3.48Å; R412-A422 VanDerWaalsContact CB-CB 3.48Å; R412-A422 WeakPolarHBondContact CD-O 3.42Å; R412-A422 HydrophobicContact CG-CB 4.44Å; R412-A422 PolarHBondContact NH1-O 2.87Å; K415-A422 HydrophobicContact CG-CB 3.97Å; G420-A422 PolarHBondContact O-N 2.94Å
423	F	81.7	Confident	80.8	Confident	46 Å²	46	72.5 Å²	72.5	20%	0.202	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.4	-173.6	-61.1	-91.4	0	0	0	111.8	R412 H414 C416 K421 Q425 L429 H432	R412-F423 CarbonylContact C-O 3.56Å; R412-F423 WeakPolarHBondContact CA-O 3.35Å; H414-F423 HydrophobicContact CB-CB 4.33Å; H414-F423 WeakPolarHBondContact CB-O 3.42Å; H414-F423 PolarHBondContact N-O 2.8Å; H414-F423 VanDerWaalsContact N-O 3.11Å; H414-F423 PolarHBondContact O-N 3.25Å; C416-F423 HydrophobicContact CB-CE2 4.45Å; K421-F423 HydrophobicContact CB-CE2 3.84Å; K421-F423 HydrophobicContact CB-CZ 4.11Å; K421-F423 WeakPolarHBondContact O-CD2 3.47Å; K421-F423 VanDerWaalsContact O-CE2 3.28Å; K421-F423 WeakPolarHBondContact O-CE2 3.35Å; F423-Q425 VanDerWaalsContact C-N 3.33Å; F423-L429 HydrophobicContact CB-CB 4.33Å; F423-L429 HydrophobicContact CD2-CB 4.07Å; F423-L429 HydrophobicContact CD2-CD1 3.89Å; F423-L429 HydrophobicContact CE2-CD1 4.12Å; F423-L429 HydrophobicContact CG-CB 4.34Å; F423-H432 HydrophobicContact CE1-CB 4.05Å; F423-H432 HydrophobicContact CE2-CB 3.97Å; F423-H432 AromaticContact CE2-CD2 3.31Å; F423-H432 WeakPolarHBondContact CE2-CD2 3.23Å; F423-H432 AromaticContact CE2-CG 3.71Å; F423-H432 HydrophobicContact CZ-CB 3.55Å; F423-H432 AromaticContact CZ-CD2 3.35Å; F423-H432 WeakPolarHBondContact CZ-CD2 3.23Å; F423-H432 AromaticContact CZ-CG 3.29Å; F423-H432 AromaticContact CZ-ND1 3.95Å
424	T	78.8	Confident	81.1	Confident	45 Å²	45	69.5 Å²	69.5	28%	0.276	36%	0.359	S	S	.	.	S	Bend	trans	-79	-12.6	176.3	53.6	0	0	0	0	113.4	K406 R412	K406-T424 HydrophobicContact CB-CG2 4.25Å; R412-T424 HydrophobicContact CG-CG2 4.15Å
425	Q	79.6	Confident	81.1	Confident	57 Å²	57	70.9 Å²	70.9	27%	0.266	37%	0.367	S	S	.	.			trans	-138.7	146	179.6	-57.1	-179.9	-3.8	0	0	112.9	I403 H414 F423 S427 T428 L429	I403-Q425 VanDerWaalsContact CG2-NE2 3.27Å; H414-Q425 VanDerWaalsContact CD2-CA 3.49Å; H414-Q425 WeakPolarHBondContact CD2-CA 3.25Å; F423-Q425 VanDerWaalsContact C-N 3.33Å; Q425-S427 VanDerWaalsContact C-N 3.29Å; Q425-S427 VanDerWaalsContact CB-OG 3.27Å; Q425-S427 WeakPolarHBondContact CB-OG 3.42Å; Q425-S427 PolarHBondContact O-N 3.31Å; Q425-S427 PolarHBondContact OE1-OG 3.4Å; Q425-T428 HydrophobicContact CB-CG2 4.42Å; Q425-T428 PolarHBondContact O-N 3.25Å; Q425-T428 PolarHBondContact O-OG1 3.28Å; Q425-T428 VanDerWaalsContact O-OG1 3.05Å; Q425-L429 PolarHBondContact O-N 3.26Å; Q425-L429 VanDerWaalsContact O-N 3.13Å
426	K	78.6	Confident	81	Confident	142 Å²	142	66.7 Å²	66.7	62%	0.617	35%	0.35	S	S	*	.	H	α-helix	trans	-66.7	-29.5	174.8	-166.6	170.9	-175.8	171.9	0	112.8	H414 R430	H414-K426 PolarHBondContact CD2-N 3.24Å; H414-K426 PolarHBondContact NE2-N 3.08Å; K426-R430 WeakPolarHBondContact O-CB 3.48Å; K426-R430 PolarHBondContact O-N 3.42Å
427	S	79.3	Confident	80.6	Confident	68 Å²	68	71 Å²	71	48%	0.476	38%	0.376	S	S	.	.	H	α-helix	trans	-62.9	-47.6	173.2	47.4	0	0	0	0	112.3	Q425 R430 M431	Q425-S427 VanDerWaalsContact C-N 3.29Å; Q425-S427 VanDerWaalsContact CB-OG 3.27Å; Q425-S427 WeakPolarHBondContact CB-OG 3.42Å; Q425-S427 PolarHBondContact O-N 3.31Å; Q425-S427 PolarHBondContact OE1-OG 3.4Å; S427-R430 PolarHBondContact O-N 3.48Å; S427-M431 WeakPolarHBondContact O-CB 3.49Å; S427-M431 PolarHBondContact O-N 2.83Å
428	T	80.6	Confident	80.2	Confident	40 Å²	40	67.5 Å²	67.5	25%	0.245	36%	0.357	C	S	.	.	H	α-helix	trans	-73.4	-33.4	-179.7	55.9	0	0	0	0	111.9	Q425 M431 H432	Q425-T428 HydrophobicContact CB-CG2 4.42Å; Q425-T428 PolarHBondContact O-N 3.25Å; Q425-T428 PolarHBondContact O-OG1 3.28Å; Q425-T428 VanDerWaalsContact O-OG1 3.05Å; T428-M431 PolarHBondContact O-N 3.45Å; T428-H432 WeakPolarHBondContact O-CB 3.38Å; T428-H432 PolarHBondContact O-N 3.18Å
429	L	83.8	Confident	80	Confident	19 Å²	19	66.6 Å²	66.6	10%	0.099	35%	0.353	C	S	.	.	H	α-helix	trans	-60.1	-50.8	166.6	173.3	60.1	0	0	0	111.8	H414 C416 F423 Q425 M431 H432 Q433	H414-L429 HydrophobicContact CB-CB 4.07Å; H414-L429 HydrophobicContact CB-CD2 3.83Å; C416-L429 HydrophobicContact CB-CD1 3.6Å; F423-L429 HydrophobicContact CB-CB 4.33Å; F423-L429 HydrophobicContact CD2-CB 4.07Å; F423-L429 HydrophobicContact CD2-CD1 3.89Å; F423-L429 HydrophobicContact CE2-CD1 4.12Å; F423-L429 HydrophobicContact CG-CB 4.34Å; Q425-L429 PolarHBondContact O-N 3.26Å; Q425-L429 VanDerWaalsContact O-N 3.13Å; L429-M431 VanDerWaalsContact C-N 3.29Å; L429-M431 PolarHBondContact O-N 2.92Å; L429-H432 CarbonylContact O-C 3.59Å; L429-H432 WeakPolarHBondContact O-CA 3.48Å; L429-H432 WeakPolarHBondContact O-CB 3.38Å; L429-H432 PolarHBondContact O-N 3.44Å; L429-Q433 HydrophobicContact CD1-CG 4.09Å; L429-Q433 HydrophobicContact CG-CG 4.48Å; L429-Q433 WeakPolarHBondContact O-CG 3.36Å; L429-Q433 PolarHBondContact O-N 3.1Å
430	R	81.7	Confident	79.7	Confident	175 Å²	175	70 Å²	70	66%	0.66	36%	0.358	S	S	*	.	H	α-helix	trans	-58.3	-41.7	178.7	-177	-174.5	-74	166.4	-7.6	111.8	K426 S427 H432 Q433	K426-R430 WeakPolarHBondContact O-CB 3.48Å; K426-R430 PolarHBondContact O-N 3.42Å; S427-R430 PolarHBondContact O-N 3.48Å; R430-H432 VanDerWaalsContact C-N 3.3Å; R430-H432 PolarHBondContact O-N 3.25Å; R430-Q433 PolarHBondContact O-N 3.15Å
431	M	82.1	Confident	79.8	Confident	79 Å²	79	70.3 Å²	70.3	39%	0.389	35%	0.352	S	S	.	.	H	α-helix	trans	-65.6	-32.4	174.4	-177.4	176.1	65.4	0	0	112.7	S427 T428 L429 Q453	S427-M431 WeakPolarHBondContact O-CB 3.49Å; S427-M431 PolarHBondContact O-N 2.83Å; T428-M431 PolarHBondContact O-N 3.45Å; L429-M431 VanDerWaalsContact C-N 3.29Å; L429-M431 PolarHBondContact O-N 2.92Å; M431-Q453 HydrophobicContact SD-CG 4.17Å; M431-Q453 PolarHBondContact SD-NE2 3.28Å
432	H	83.3	Confident	80	Confident	14 Å²	14	70.6 Å²	70.6	7%	0.065	35%	0.351	C	S	.	.	H	α-helix	trans	-72.1	-38.6	175.6	172.9	55.6	0	0	0	112.8	C419 F423 T428 L429 R430 R434 I435 H436	C419-H432 PolarHBondContact SG-NE2 3.26Å; F423-H432 HydrophobicContact CE1-CB 4.05Å; F423-H432 HydrophobicContact CE2-CB 3.97Å; F423-H432 AromaticContact CE2-CD2 3.31Å; F423-H432 WeakPolarHBondContact CE2-CD2 3.23Å; F423-H432 AromaticContact CE2-CG 3.71Å; F423-H432 HydrophobicContact CZ-CB 3.55Å; F423-H432 AromaticContact CZ-CD2 3.35Å; F423-H432 WeakPolarHBondContact CZ-CD2 3.23Å; F423-H432 AromaticContact CZ-CG 3.29Å; F423-H432 AromaticContact CZ-ND1 3.95Å; T428-H432 WeakPolarHBondContact O-CB 3.38Å; T428-H432 PolarHBondContact O-N 3.18Å; L429-H432 CarbonylContact O-C 3.59Å; L429-H432 WeakPolarHBondContact O-CA 3.48Å; L429-H432 WeakPolarHBondContact O-CB 3.38Å; L429-H432 PolarHBondContact O-N 3.44Å; R430-H432 VanDerWaalsContact C-N 3.3Å; R430-H432 PolarHBondContact O-N 3.25Å; H432-R434 PolarHBondContact O-N 3.16Å; H432-I435 VanDerWaalsContact O-CB 3.25Å; H432-I435 WeakPolarHBondContact O-CB 3.35Å; H432-I435 WeakPolarHBondContact O-CG1 3.18Å; H432-I435 PolarHBondContact O-N 3.41Å; H432-H436 AromaticContact CD2-NE2 3.94Å; H432-H436 AromaticContact CE1-CE1 3.84Å; H432-H436 AromaticContact CE1-NE2 3.61Å; H432-H436 AromaticContact NE2-CE1 3.8Å; H432-H436 AromaticContact NE2-NE2 3.21Å; H432-H436 PolarHBondContact NE2-NE2 3.13Å
433	Q	81	Confident	80	Confident	66 Å²	66	74.6 Å²	74.6	31%	0.308	37%	0.368	S	S	.	.	H	α-helix	trans	-58.5	-30	179.4	-71.3	173.8	-74.3	0	0	112.8	L429 R430 I435 H436 T437	L429-Q433 HydrophobicContact CD1-CG 4.09Å; L429-Q433 HydrophobicContact CG-CG 4.48Å; L429-Q433 WeakPolarHBondContact O-CG 3.36Å; L429-Q433 PolarHBondContact O-N 3.1Å; R430-Q433 PolarHBondContact O-N 3.15Å; Q433-I435 PolarHBondContact O-N 3.31Å; Q433-I435 VanDerWaalsContact O-N 3.08Å; Q433-H436 PolarHBondContact O-N 3.49Å; Q433-T437 PolarHBondContact O-N 3.18Å; Q433-T437 VanDerWaalsContact O-N 3.1Å
434	R	83.1	Confident	80.2	Confident	69 Å²	69	72.5 Å²	72.5	26%	0.26	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-18.6	171.3	-65.5	-171.3	162.1	170	-11.7	115.2	H432 T437 G438 E439 I452	H432-R434 PolarHBondContact O-N 3.16Å; R434-T437 WeakPolarHBondContact CA-OG1 3.33Å; R434-G438 CarbonylContact O-C 3.6Å; R434-G438 PolarHBondContact O-N 2.48Å; R434-E439 HydrophobicContact CB-CB 4.35Å; R434-E439 HydrophobicContact CG-CB 4.16Å; R434-E439 WeakPolarHBondContact CG-OE2 3.42Å; R434-E439 IonicContact CZ-OE1 3.33Å; R434-E439 VanDerWaalsContact CZ-OE1 3.27Å; R434-E439 IonicContact CZ-OE2 2.65Å; R434-E439 IonicContact NE-OE1 3Å; R434-E439 PolarHBondContact NE-OE1 3.46Å; R434-E439 IonicContact NE-OE2 2.63Å; R434-E439 PolarHBondContact NE-OE2 2.89Å; R434-E439 IonicContact NH2-OE1 3.87Å; R434-E439 PolarHBondContact NH2-OE1 2.95Å; R434-E439 IonicContact NH2-OE2 3.31Å; R434-E439 PolarHBondContact NH2-OE2 3.07Å; R434-E439 PolarHBondContact O-N 3.49Å; R434-I452 HydrophobicContact CB-CG2 3.66Å; R434-I452 HydrophobicContact CG-CG2 4.41Å
435	I	79.6	Confident	80.5	Confident	92 Å²	92	76.2 Å²	76.2	47%	0.472	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-35.1	174.3	-59.1	-178.7	0	0	0	110.6	H432 Q433 I452	H432-I435 VanDerWaalsContact O-CB 3.25Å; H432-I435 WeakPolarHBondContact O-CB 3.35Å; H432-I435 WeakPolarHBondContact O-CG1 3.18Å; H432-I435 PolarHBondContact O-N 3.41Å; Q433-I435 PolarHBondContact O-N 3.31Å; Q433-I435 VanDerWaalsContact O-N 3.08Å; I435-I452 HydrophobicContact CB-CD1 4.43Å; I435-I452 HydrophobicContact CG1-CD1 3.76Å
436	H	78.1	Confident	80.6	Confident	69 Å²	69	80.4 Å²	80.4	32%	0.319	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-45.1	-178.6	-46.9	-53.9	0	0	0	111.8	C416 E418 C419 H432 Q433 G438	C416-H436 PolarHBondContact SG-NE2 2.94Å; C416-H436 VanDerWaalsContact SG-NE2 3.39Å; E418-H436 IonicContact OE1-CD2 3.62Å; E418-H436 PolarHBondContact OE1-CD2 2.97Å; E418-H436 IonicContact OE1-CG 3.78Å; E418-H436 WeakPolarHBondContact OE2-CB 3.4Å; E418-H436 IonicContact OE2-CD2 2.8Å; E418-H436 IonicContact OE2-CG 3.25Å; C419-H436 VanDerWaalsContact SG-CE1 3.51Å; C419-H436 PolarHBondContact SG-NE2 2.87Å; C419-H436 VanDerWaalsContact SG-NE2 3.44Å; H432-H436 AromaticContact CD2-NE2 3.94Å; H432-H436 AromaticContact CE1-CE1 3.84Å; H432-H436 AromaticContact CE1-NE2 3.61Å; H432-H436 AromaticContact NE2-CE1 3.8Å; H432-H436 AromaticContact NE2-NE2 3.21Å; H432-H436 PolarHBondContact NE2-NE2 3.13Å; Q433-H436 PolarHBondContact O-N 3.49Å; H436-G438 PolarHBondContact O-N 3.29Å; H436-G438 VanDerWaalsContact O-N 3.14Å
437	T	77.2	Confident	80.7	Confident	93 Å²	93	76.3 Å²	76.3	57%	0.571	39%	0.39	S	S	*	.	S	Bend	trans	-68.3	-9.8	174.9	66.2	0	0	0	0	113.5	Q433 R434 E439	Q433-T437 PolarHBondContact O-N 3.18Å; Q433-T437 VanDerWaalsContact O-N 3.1Å; R434-T437 WeakPolarHBondContact CA-OG1 3.33Å; T437-E439 PolarHBondContact O-N 3.28Å; T437-E439 PolarHBondContact OG1-N 2.99Å
438	G	74.4	Confident	80.8	Confident	33 Å²	33	75.7 Å²	75.7	34%	0.34	39%	0.394	S	S	.	.			trans	71	1	-176.7	0	0	0	0	0	114.9	R434 H436 R440	R434-G438 CarbonylContact O-C 3.6Å; R434-G438 PolarHBondContact O-N 2.48Å; H436-G438 PolarHBondContact O-N 3.29Å; H436-G438 VanDerWaalsContact O-N 3.14Å; G438-R440 VanDerWaalsContact O-CG 3.32Å; G438-R440 WeakPolarHBondContact O-CG 3.42Å; G438-R440 PolarHBondContact O-N 2.86Å
439	E	74.9	Confident	80.9	Confident	84 Å²	84	79.1 Å²	79.1	39%	0.393	41%	0.407	S	S	.	.			trans	-59.1	104.2	-172.6	-165.7	-141.9	141.8	0	0	112	R434 T437 S441	R434-E439 HydrophobicContact CB-CB 4.35Å; R434-E439 HydrophobicContact CG-CB 4.16Å; R434-E439 WeakPolarHBondContact CG-OE2 3.42Å; R434-E439 IonicContact CZ-OE1 3.33Å; R434-E439 VanDerWaalsContact CZ-OE1 3.27Å; R434-E439 IonicContact CZ-OE2 2.65Å; R434-E439 IonicContact NE-OE1 3Å; R434-E439 PolarHBondContact NE-OE1 3.46Å; R434-E439 IonicContact NE-OE2 2.63Å; R434-E439 PolarHBondContact NE-OE2 2.89Å; R434-E439 IonicContact NH2-OE1 3.87Å; R434-E439 PolarHBondContact NH2-OE1 2.95Å; R434-E439 IonicContact NH2-OE2 3.31Å; R434-E439 PolarHBondContact NH2-OE2 3.07Å; R434-E439 PolarHBondContact O-N 3.49Å; T437-E439 PolarHBondContact O-N 3.28Å; T437-E439 PolarHBondContact OG1-N 2.99Å; E439-S441 PolarHBondContact OE1-OG 3.12Å
440	R	76.9	Confident	80.9	Confident	125 Å²	125	79.6 Å²	79.6	47%	0.472	41%	0.414	S	S	.	.			trans	-117.9	70.1	-176.2	-77.2	164	151	93.9	-5.5	110.8	G438 Y442 A450 F451 I452	G438-R440 VanDerWaalsContact O-CG 3.32Å; G438-R440 WeakPolarHBondContact O-CG 3.42Å; G438-R440 PolarHBondContact O-N 2.86Å; R440-Y442 PolarHBondContact O-N 2.95Å; R440-A450 HydrophobicContact CB-CB 3.56Å; R440-A450 WeakPolarHBondContact CD-O 3.29Å; R440-A450 HydrophobicContact CG-CB 4.36Å; R440-A450 PolarHBondContact NE-O 2.86Å; R440-F451 CarbonylContact C-O 3.42Å; R440-F451 VanDerWaalsContact C-O 3.31Å; R440-F451 WeakPolarHBondContact CA-O 3.3Å; R440-I452 HydrophobicContact CG-CG1 3.86Å
441	S	79.8	Confident	80.9	Confident	60 Å²	60	73 Å²	73	42%	0.42	39%	0.391	S	S	.	.			trans	-66.7	5.2	-173.9	9.8	0	0	0	0	115.4	E439	E439-S441 PolarHBondContact OE1-OG 3.12Å
442	Y	83.4	Confident	80.7	Confident	82 Å²	82	70.6 Å²	70.6	32%	0.322	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	92.1	179.1	-55.2	-73.4	0	0	0	111.5	R440 F451 K454	R440-Y442 PolarHBondContact O-N 2.95Å; Y442-F451 PolarHBondContact N-O 3.33Å; Y442-F451 PolarHBondContact O-N 3.34Å; Y442-K454 HydrophobicContact CD1-CB 3.82Å; Y442-K454 HydrophobicContact CD1-CG 4.18Å; Y442-K454 VanDerWaalsContact CD2-N 3.3Å; Y442-K454 HydrophobicContact CE1-CB 3.71Å; Y442-K454 HydrophobicContact CE1-CG 4.25Å; Y442-K454 HydrophobicContact CE2-CB 4.44Å; Y442-K454 HydrophobicContact CG-CB 4.26Å
443	I	82.1	Confident	80.5	Confident	109 Å²	109	73 Å²	73	56%	0.559	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	138.2	-177.4	-51.4	178.5	0	0	0	110.8	A450	I443-A450 HydrophobicContact CG1-CB 3.95Å
444	C	86.4	Confident	80.4	Confident	1 Å²	1	76.1 Å²	76.1	1%	0.007	40%	0.403	C	S	.	.			trans	-84.2	117	170.5	-169.6	0	0	0	0	111	Q446 C447 G448 Q449 F451 L457	C444-Q446 PolarHBondContact O-N 2.7Å; C444-C447 PolarHBondContact O-N 3.13Å; C444-G448 WeakPolarHBondContact O-CA 3.29Å; C444-G448 PolarHBondContact O-N 2.93Å; C444-Q449 WeakPolarHBondContact CB-O 3.48Å; C444-Q449 PolarHBondContact N-O 2.88Å; C444-F451 HydrophobicContact CB-CE2 4.42Å; C444-L457 HydrophobicContact CB-CD1 3.51Å
445	T	84.1	Confident	80.2	Confident	124 Å²	124	75.8 Å²	75.8	76%	0.761	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.3	-179.5	49	0	0	0	0	114.4
446	Q	81.6	Confident	80.2	Confident	144 Å²	144	76 Å²	76	67%	0.673	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-18.2	-176.5	-63.3	-64.4	-13	0	0	114.3	C444 H464	C444-Q446 PolarHBondContact O-N 2.7Å; Q446-H464 HydrophobicContact CB-CB 4.48Å; Q446-H464 HydrophobicContact CG-CB 4.49Å
447	C	82.4	Confident	80.5	Confident	57 Å²	57	73.7 Å²	73.7	39%	0.385	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.7	3	-173.1	69.4	0	0	0	0	115	C444 Q449 H460	C444-C447 PolarHBondContact O-N 3.13Å; C447-Q449 PolarHBondContact O-N 3.16Å; C447-H460 PolarHBondContact SG-NE2 3.05Å
448	G	81.1	Confident	80.7	Confident	54 Å²	54	73 Å²	73	56%	0.557	40%	0.395	S	S	*	.			trans	69.5	-6.8	-177.3	0	0	0	0	0	115.8	C444 A450	C444-G448 WeakPolarHBondContact O-CA 3.29Å; C444-G448 PolarHBondContact O-N 2.93Å; G448-A450 PolarHBondContact O-N 3.38Å
449	Q	82.8	Confident	80.8	Confident	112 Å²	112	74 Å²	74	52%	0.523	40%	0.4	S	S	.	.			trans	-65.9	130.4	-178.1	-72	-155.5	-14.9	0	0	112	C444 C447 F451 H460	C444-Q449 WeakPolarHBondContact CB-O 3.48Å; C444-Q449 PolarHBondContact N-O 2.88Å; C447-Q449 PolarHBondContact O-N 3.16Å; Q449-F451 HydrophobicContact CB-CE2 3.87Å; Q449-F451 HydrophobicContact CB-CZ 4.01Å; Q449-F451 WeakPolarHBondContact O-CD2 3.25Å; Q449-F451 VanDerWaalsContact O-CE2 3.29Å; Q449-F451 WeakPolarHBondContact O-CE2 3.25Å; Q449-H460 PolarHBondContact OE1-CE1 3.4Å
450	A	82.6	Confident	81.1	Confident	30 Å²	30	71 Å²	71	25%	0.248	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.6	-173.3	0	0	0	0	0	112.2	R440 I443 G448	R440-A450 HydrophobicContact CB-CB 3.56Å; R440-A450 WeakPolarHBondContact CD-O 3.29Å; R440-A450 HydrophobicContact CG-CB 4.36Å; R440-A450 PolarHBondContact NE-O 2.86Å; I443-A450 HydrophobicContact CG1-CB 3.95Å; G448-A450 PolarHBondContact O-N 3.38Å
451	F	82.2	Confident	81.3	Confident	36 Å²	36	68.3 Å²	68.3	16%	0.158	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	150.2	-171	-61.1	-87.9	0	0	0	111.9	R440 Y442 C444 Q449 Q453 H456 L457 H460	R440-F451 CarbonylContact C-O 3.42Å; R440-F451 VanDerWaalsContact C-O 3.31Å; R440-F451 WeakPolarHBondContact CA-O 3.3Å; Y442-F451 PolarHBondContact N-O 3.33Å; Y442-F451 PolarHBondContact O-N 3.34Å; C444-F451 HydrophobicContact CB-CE2 4.42Å; Q449-F451 HydrophobicContact CB-CE2 3.87Å; Q449-F451 HydrophobicContact CB-CZ 4.01Å; Q449-F451 WeakPolarHBondContact O-CD2 3.25Å; Q449-F451 VanDerWaalsContact O-CE2 3.29Å; Q449-F451 WeakPolarHBondContact O-CE2 3.25Å; F451-Q453 VanDerWaalsContact C-N 3.34Å; F451-H456 HydrophobicContact CB-CB 4.31Å; F451-H456 HydrophobicContact CD1-CB 3.91Å; F451-H456 HydrophobicContact CG-CB 4.36Å; F451-L457 HydrophobicContact CB-CB 4.36Å; F451-L457 HydrophobicContact CD2-CB 4.01Å; F451-L457 HydrophobicContact CD2-CD1 3.98Å; F451-L457 HydrophobicContact CE2-CD1 4.21Å; F451-L457 HydrophobicContact CG-CB 4.35Å; F451-H460 HydrophobicContact CE1-CB 4.14Å; F451-H460 HydrophobicContact CE2-CB 3.98Å; F451-H460 AromaticContact CE2-CD2 3.83Å; F451-H460 AromaticContact CE2-CG 3.75Å; F451-H460 HydrophobicContact CZ-CB 3.6Å; F451-H460 AromaticContact CZ-CD2 3.88Å; F451-H460 AromaticContact CZ-CG 3.37Å; F451-H460 AromaticContact CZ-ND1 3.49Å; F451-H460 WeakPolarHBondContact CZ-ND1 3.44Å
452	I	78.3	Confident	81.4	Confident	29 Å²	29	68.2 Å²	68.2	15%	0.149	37%	0.37	C	S	.	.	S	Bend	trans	-79.4	-18	179.2	-61.6	174.8	0	0	0	112	R434 I435 R440	R434-I452 HydrophobicContact CB-CG2 3.66Å; R434-I452 HydrophobicContact CG-CG2 4.41Å; I435-I452 HydrophobicContact CB-CD1 4.43Å; I435-I452 HydrophobicContact CG1-CD1 3.76Å; R440-I452 HydrophobicContact CG-CG1 3.86Å
453	Q	79.3	Confident	81.1	Confident	63 Å²	63	67.3 Å²	67.3	29%	0.294	37%	0.37	S	S	.	.	S	Bend	trans	-138.1	138.6	-177.9	-59.6	179.7	17.2	0	0	111.8	M431 F451 A455 H456 L457	M431-Q453 HydrophobicContact SD-CG 4.17Å; M431-Q453 PolarHBondContact SD-NE2 3.28Å; F451-Q453 VanDerWaalsContact C-N 3.34Å; Q453-A455 VanDerWaalsContact C-N 3.26Å; Q453-A455 PolarHBondContact O-N 3.48Å; Q453-H456 PolarHBondContact O-N 2.65Å; Q453-H456 VanDerWaalsContact O-N 3.08Å; Q453-H456 PolarHBondContact OE1-CE1 3.27Å; Q453-L457 PolarHBondContact O-N 3.34Å
454	K	79.1	Confident	80.9	Confident	132 Å²	132	66 Å²	66	57%	0.574	36%	0.361	S	S	*	.	H	α-helix	trans	-57.2	-36.5	176.8	-166.6	177.1	-179.7	178.2	0	112.9	Y442 H456 L457 I458	Y442-K454 HydrophobicContact CD1-CB 3.82Å; Y442-K454 HydrophobicContact CD1-CG 4.18Å; Y442-K454 VanDerWaalsContact CD2-N 3.3Å; Y442-K454 HydrophobicContact CE1-CB 3.71Å; Y442-K454 HydrophobicContact CE1-CG 4.25Å; Y442-K454 HydrophobicContact CE2-CB 4.44Å; Y442-K454 HydrophobicContact CG-CB 4.26Å; K454-H456 VanDerWaalsContact C-N 3.31Å; K454-H456 PolarHBondContact O-N 3.07Å; K454-L457 PolarHBondContact O-N 2.99Å; K454-I458 HydrophobicContact CG-CD1 4.03Å; K454-I458 HydrophobicContact CG-CG1 4.49Å; K454-I458 WeakPolarHBondContact O-CG1 3.34Å; K454-I458 PolarHBondContact O-N 3.02Å
455	A	78.4	Confident	80.5	Confident	63 Å²	63	70 Å²	70	52%	0.521	39%	0.386	S	S	.	.	H	α-helix	trans	-62.2	-36	177.7	0	0	0	0	0	112.8	Q453 A459	Q453-A455 VanDerWaalsContact C-N 3.26Å; Q453-A455 PolarHBondContact O-N 3.48Å; A455-A459 WeakPolarHBondContact O-CB 3.42Å; A455-A459 PolarHBondContact O-N 3.4Å
456	H	80.1	Confident	80.2	Confident	97 Å²	97	66.2 Å²	66.2	45%	0.449	37%	0.371	S	S	.	.	H	α-helix	trans	-72.6	-37	175.7	-61.9	157.3	0	0	0	112	F451 Q453 K454 A459 H460	F451-H456 HydrophobicContact CB-CB 4.31Å; F451-H456 HydrophobicContact CD1-CB 3.91Å; F451-H456 HydrophobicContact CG-CB 4.36Å; Q453-H456 PolarHBondContact O-N 2.65Å; Q453-H456 VanDerWaalsContact O-N 3.08Å; Q453-H456 PolarHBondContact OE1-CE1 3.27Å; K454-H456 VanDerWaalsContact C-N 3.31Å; K454-H456 PolarHBondContact O-N 3.07Å; H456-A459 PolarHBondContact O-N 3Å; H456-H460 WeakPolarHBondContact O-CB 3.47Å; H456-H460 PolarHBondContact O-N 3.38Å
457	L	82.9	Confident	80	Confident	19 Å²	19	64.1 Å²	64.1	10%	0.099	36%	0.361	C	S	.	.	H	α-helix	trans	-61	-48	171.6	172	59.8	0	0	0	111.3	C444 F451 Q453 K454 A459 H460 Q461	C444-L457 HydrophobicContact CB-CD1 3.51Å; F451-L457 HydrophobicContact CB-CB 4.36Å; F451-L457 HydrophobicContact CD2-CB 4.01Å; F451-L457 HydrophobicContact CD2-CD1 3.98Å; F451-L457 HydrophobicContact CE2-CD1 4.21Å; F451-L457 HydrophobicContact CG-CB 4.35Å; Q453-L457 PolarHBondContact O-N 3.34Å; K454-L457 PolarHBondContact O-N 2.99Å; L457-A459 VanDerWaalsContact C-N 3.33Å; L457-A459 PolarHBondContact O-N 2.63Å; L457-H460 CarbonylContact O-C 3.6Å; L457-H460 WeakPolarHBondContact O-CB 3.42Å; L457-H460 PolarHBondContact O-N 3.32Å; L457-H460 VanDerWaalsContact O-N 3.1Å; L457-Q461 HydrophobicContact CD1-CG 4.02Å; L457-Q461 HydrophobicContact CG-CG 4.44Å; L457-Q461 WeakPolarHBondContact O-CG 3.27Å; L457-Q461 PolarHBondContact O-N 3.27Å
458	I	81.2	Confident	79.9	Confident	78 Å²	78	67 Å²	67	40%	0.4	37%	0.368	S	S	.	.	H	α-helix	trans	-61	-42.2	177.9	-66.9	165.3	0	0	0	111.1	K454 H460 Q461	K454-I458 HydrophobicContact CG-CD1 4.03Å; K454-I458 HydrophobicContact CG-CG1 4.49Å; K454-I458 WeakPolarHBondContact O-CG1 3.34Å; K454-I458 PolarHBondContact O-N 3.02Å; I458-H460 VanDerWaalsContact C-N 3.31Å; I458-H460 PolarHBondContact O-N 2.86Å; I458-Q461 PolarHBondContact O-N 3.45Å
459	A	78.4	Confident	80	Confident	54 Å²	54	68 Å²	68	45%	0.446	36%	0.364	S	S	.	.	H	α-helix	trans	-65.4	-32.6	175.5	0	0	0	0	0	113	A455 H456 L457	A455-A459 WeakPolarHBondContact O-CB 3.42Å; A455-A459 PolarHBondContact O-N 3.4Å; H456-A459 PolarHBondContact O-N 3Å; L457-A459 VanDerWaalsContact C-N 3.33Å; L457-A459 PolarHBondContact O-N 2.63Å
460	H	81.4	Confident	80.1	Confident	21 Å²	21	66.3 Å²	66.3	10%	0.097	35%	0.353	C	S	.	.	H	α-helix	trans	-74.1	-36.8	174.6	174.4	90.1	0	0	0	112.7	C447 Q449 F451 H456 L457 I458 R462 I463 H464	C447-H460 PolarHBondContact SG-NE2 3.05Å; Q449-H460 PolarHBondContact OE1-CE1 3.4Å; F451-H460 HydrophobicContact CE1-CB 4.14Å; F451-H460 HydrophobicContact CE2-CB 3.98Å; F451-H460 AromaticContact CE2-CD2 3.83Å; F451-H460 AromaticContact CE2-CG 3.75Å; F451-H460 HydrophobicContact CZ-CB 3.6Å; F451-H460 AromaticContact CZ-CD2 3.88Å; F451-H460 AromaticContact CZ-CG 3.37Å; F451-H460 AromaticContact CZ-ND1 3.49Å; F451-H460 WeakPolarHBondContact CZ-ND1 3.44Å; H456-H460 WeakPolarHBondContact O-CB 3.47Å; H456-H460 PolarHBondContact O-N 3.38Å; L457-H460 CarbonylContact O-C 3.6Å; L457-H460 WeakPolarHBondContact O-CB 3.42Å; L457-H460 PolarHBondContact O-N 3.32Å; L457-H460 VanDerWaalsContact O-N 3.1Å; I458-H460 VanDerWaalsContact C-N 3.31Å; I458-H460 PolarHBondContact O-N 2.86Å; H460-R462 PolarHBondContact O-N 3.37Å; H460-I463 VanDerWaalsContact O-CB 3.25Å; H460-I463 WeakPolarHBondContact O-CB 3.22Å; H460-I463 VanDerWaalsContact O-CG1 3.25Å; H460-I463 WeakPolarHBondContact O-CG1 3.5Å; H460-I463 PolarHBondContact O-N 2.88Å; H460-H464 AromaticContact CD2-NE2 3.56Å; H460-H464 AromaticContact CE1-NE2 3.94Å; H460-H464 AromaticContact NE2-CD2 3.97Å; H460-H464 AromaticContact NE2-CE1 3.82Å; H460-H464 AromaticContact NE2-NE2 3.01Å; H460-H464 PolarHBondContact NE2-NE2 2.88Å
461	Q	80.6	Confident	80.3	Confident	70 Å²	70	70.6 Å²	70.6	33%	0.327	37%	0.368	S	S	.	.	H	α-helix	trans	-59.3	-29.5	180	-77.2	171.3	-59.6	0	0	113.1	L457 I458 I463 H464 T465	L457-Q461 HydrophobicContact CD1-CG 4.02Å; L457-Q461 HydrophobicContact CG-CG 4.44Å; L457-Q461 WeakPolarHBondContact O-CG 3.27Å; L457-Q461 PolarHBondContact O-N 3.27Å; I458-Q461 PolarHBondContact O-N 3.45Å; Q461-I463 PolarHBondContact O-N 3.37Å; Q461-I463 VanDerWaalsContact O-N 3.14Å; Q461-H464 PolarHBondContact O-N 2.76Å; Q461-T465 PolarHBondContact O-N 2.85Å; Q461-T465 VanDerWaalsContact O-N 3.1Å
462	R	81	Confident	80.7	Confident	57 Å²	57	68.9 Å²	68.9	22%	0.215	36%	0.361	C	S	.	.	H	α-helix	trans	-60.1	-18.6	172.3	-65.2	179.4	-179.8	166.8	2	114.7	H460 G466 E467 P480	H460-R462 PolarHBondContact O-N 3.37Å; R462-G466 WeakPolarHBondContact O-CA 3.31Å; R462-G466 PolarHBondContact O-N 3.11Å; R462-G466 VanDerWaalsContact O-N 3.11Å; R462-E467 HydrophobicContact CB-CB 4.45Å; R462-E467 HydrophobicContact CG-CB 4.26Å; R462-E467 PolarHBondContact O-N 3.18Å; R462-P480 HydrophobicContact CB-CB 4.43Å; R462-P480 PolarHBondContact NH1-O 2.87Å
463	I	77.4	Confident	81.2	Confident	63 Å²	63	72 Å²	72	32%	0.323	39%	0.385	S	S	.	.	H	α-helix	trans	-71.6	-36.3	173.6	-54.8	168.9	0	0	0	110	L205 H460 Q461	L205-I463 HydrophobicContact CD1-CD1 3.88Å; L205-I463 HydrophobicContact CD2-CD1 3.94Å; L205-I463 HydrophobicContact CD2-CG1 4.37Å; L205-I463 HydrophobicContact CG-CD1 4Å; H460-I463 VanDerWaalsContact O-CB 3.25Å; H460-I463 WeakPolarHBondContact O-CB 3.22Å; H460-I463 VanDerWaalsContact O-CG1 3.25Å; H460-I463 WeakPolarHBondContact O-CG1 3.5Å; H460-I463 PolarHBondContact O-N 2.88Å; Q461-I463 PolarHBondContact O-N 3.37Å; Q461-I463 VanDerWaalsContact O-N 3.14Å
464	H	78.1	Confident	81.5	Confident	82 Å²	82	72.7 Å²	72.7	38%	0.38	39%	0.391	S	S	.	.	H	α-helix	trans	-83.2	-39.7	-179.1	-54.8	-55.4	0	0	0	112.3	Q446 H460 Q461 G466	Q446-H464 HydrophobicContact CB-CB 4.48Å; Q446-H464 HydrophobicContact CG-CB 4.49Å; H460-H464 AromaticContact CD2-NE2 3.56Å; H460-H464 AromaticContact CE1-NE2 3.94Å; H460-H464 AromaticContact NE2-CD2 3.97Å; H460-H464 AromaticContact NE2-CE1 3.82Å; H460-H464 AromaticContact NE2-NE2 3.01Å; H460-H464 PolarHBondContact NE2-NE2 2.88Å; Q461-H464 PolarHBondContact O-N 2.76Å; H464-G466 VanDerWaalsContact C-N 3.28Å
465	T	78.7	Confident	81.8	Confident	85 Å²	85	68.6 Å²	68.6	52%	0.521	38%	0.378	S	S	.	.	H	α-helix	trans	-78.6	-13.3	176.2	63.9	0	0	0	0	113.2	Q461 E467	Q461-T465 PolarHBondContact O-N 2.85Å; Q461-T465 VanDerWaalsContact O-N 3.1Å; T465-E467 VanDerWaalsContact CB-OE1 3.28Å; T465-E467 WeakPolarHBondContact CB-OE1 3.47Å; T465-E467 PolarHBondContact O-N 3.14Å; T465-E467 WeakPolarHBondContact OG1-CB 3.39Å; T465-E467 WeakPolarHBondContact OG1-CG 3.45Å; T465-E467 PolarHBondContact OG1-OE1 3.1Å
466	G	76.6	Confident	82	Confident	44 Å²	44	67.5 Å²	67.5	45%	0.454	37%	0.373	S	S	.	.			trans	70.6	1.5	-175.7	0	0	0	0	0	114.5	R462 H464 K468	R462-G466 WeakPolarHBondContact O-CA 3.31Å; R462-G466 PolarHBondContact O-N 3.11Å; R462-G466 VanDerWaalsContact O-N 3.11Å; H464-G466 VanDerWaalsContact C-N 3.28Å; G466-K468 PolarHBondContact O-N 2.95Å
467	E	77.4	Confident	82.2	Confident	100 Å²	100	68.3 Å²	68.3	47%	0.467	38%	0.375	S	S	.	.			trans	-57	129.4	-179	-81.2	166.4	-122.8	0	0	112.6	R462 T465	R462-E467 HydrophobicContact CB-CB 4.45Å; R462-E467 HydrophobicContact CG-CB 4.26Å; R462-E467 PolarHBondContact O-N 3.18Å; T465-E467 VanDerWaalsContact CB-OE1 3.28Å; T465-E467 WeakPolarHBondContact CB-OE1 3.47Å; T465-E467 PolarHBondContact O-N 3.14Å; T465-E467 WeakPolarHBondContact OG1-CB 3.39Å; T465-E467 WeakPolarHBondContact OG1-CG 3.45Å; T465-E467 PolarHBondContact OG1-OE1 3.1Å
468	K	81.1	Confident	82.3	Confident	119 Å²	119	69.8 Å²	69.8	52%	0.517	39%	0.387	S	S	.	.			trans	-132.4	73.3	178.2	-69.4	176.5	-143.8	161.4	0	111.1	G466 Y470 S478 F479	G466-K468 PolarHBondContact O-N 2.95Å; K468-Y470 PolarHBondContact O-N 3.41Å; K468-S478 WeakPolarHBondContact CD-O 3.13Å; K468-S478 VanDerWaalsContact O-CB 3.28Å; K468-S478 WeakPolarHBondContact O-CB 3.26Å; K468-F479 CarbonylContact C-O 3.53Å; K468-F479 VanDerWaalsContact CA-O 3.29Å; K468-F479 WeakPolarHBondContact CA-O 3.32Å
469	P	82.9	Confident	82.3	Confident	74 Å²	74	68 Å²	68	48%	0.481	38%	0.377	S	S	.	.			trans	-69.6	5.2	-168.1	-20.2	34.4	0	0	0	116.2
470	Y	84.6	Confident	82.3	Confident	76 Å²	76	67.4 Å²	67.4	30%	0.298	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	91.1	-175.2	-54.5	-77.2	0	0	0	110.1	K468 F479 S481 K482	K468-Y470 PolarHBondContact O-N 3.41Å; Y470-F479 WeakPolarHBondContact CD2-O 3.35Å; Y470-F479 PolarHBondContact N-O 3.13Å; Y470-F479 VanDerWaalsContact N-O 3.15Å; Y470-F479 PolarHBondContact O-N 2.69Å; Y470-S481 VanDerWaalsContact CD2-CA 3.41Å; Y470-K482 HydrophobicContact CD1-CB 3.92Å; Y470-K482 HydrophobicContact CD1-CG 4.47Å; Y470-K482 HydrophobicContact CE1-CB 3.9Å; Y470-K482 HydrophobicContact CG-CB 4.37Å
471	E	87.4	Confident	82.2	Confident	121 Å²	121	68 Å²	68	57%	0.565	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	146.6	-179.7	-163.8	166.8	143	0	0	113.8	G476 L485	E471-G476 WeakPolarHBondContact OE1-CA 3.4Å; E471-L485 VanDerWaalsContact O-CD2 3.3Å; E471-L485 WeakPolarHBondContact O-CD2 3.28Å
472	C	89.9	Confident	82.2	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	102.1	170.9	-174.2	0	0	0	0	110.5	D474 C475 G476 K477 F479 L485 H488 H492	C472-D474 PolarHBondContact O-N 3.01Å; C472-D474 PolarHBondContact SG-OD2 3.45Å; C472-D474 VanDerWaalsContact SG-OD2 3.33Å; C472-C475 PolarHBondContact O-N 3.45Å; C472-G476 PolarHBondContact O-N 3.37Å; C472-K477 HydrophobicContact CB-CB 4.43Å; C472-K477 VanDerWaalsContact CB-O 3.23Å; C472-K477 WeakPolarHBondContact CB-O 3.47Å; C472-K477 PolarHBondContact N-O 3.09Å; C472-F479 HydrophobicContact CB-CE2 4.39Å; C472-L485 HydrophobicContact CB-CD1 3.6Å; C472-H488 VanDerWaalsContact SG-CD2 3.55Å; C472-H492 PolarHBondContact SG-NE2 3.42Å
473	S	88	Confident	82.2	Confident	93 Å²	93	72.6 Å²	72.6	65%	0.65	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.9	-37.3	169.8	46.7	0	0	0	0	114.1	C475 K489	S473-C475 PolarHBondContact O-N 2.95Å; S473-K489 PolarHBondContact OG-NZ 3.43Å
474	D	85.8	Confident	82.4	Confident	79 Å²	79	73 Å²	73	42%	0.422	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-8.4	-168.5	-25.5	-44.9	0	0	0	113.1	C472 K489 H492	C472-D474 PolarHBondContact O-N 3.01Å; C472-D474 PolarHBondContact SG-OD2 3.45Å; C472-D474 VanDerWaalsContact SG-OD2 3.33Å; D474-K489 VanDerWaalsContact CG-NZ 3.26Å; D474-K489 IonicContact OD1-NZ 3.51Å; D474-K489 PolarHBondContact OD1-NZ 2.92Å; D474-K489 IonicContact OD2-NZ 3.43Å; D474-K489 PolarHBondContact OD2-NZ 2.99Å; D474-H492 IonicContact OD2-CD2 2.76Å; D474-H492 PolarHBondContact OD2-CD2 3.31Å
475	C	85.7	Confident	82.8	Confident	46 Å²	46	69.9 Å²	69.9	31%	0.311	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-163.8	16.8	177.9	67	0	0	0	0	116.6	C472 S473 K477 H488 H492	C472-C475 PolarHBondContact O-N 3.45Å; S473-C475 PolarHBondContact O-N 2.95Å; C475-K477 PolarHBondContact O-N 2.9Å; C475-K477 VanDerWaalsContact O-N 3.09Å; C475-H488 PolarHBondContact SG-NE2 2.94Å; C475-H492 WeakPolarHBondContact CB-CE1 3.48Å; C475-H492 PolarHBondContact SG-CE1 3.15Å; C475-H492 PolarHBondContact SG-NE2 2.84Å
476	G	83.3	Confident	83.1	Confident	40 Å²	40	70.4 Å²	70.4	41%	0.412	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	6.1	179.5	0	0	0	0	0	116.1	E471 C472 S478	E471-G476 WeakPolarHBondContact OE1-CA 3.4Å; C472-G476 PolarHBondContact O-N 3.37Å; G476-S478 PolarHBondContact O-N 2.84Å
477	K	83.3	Confident	83.5	Confident	114 Å²	114	72.1 Å²	72.1	50%	0.496	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	115	-175.8	-72.8	174.6	-171.9	155.2	0	111.3	C472 C475 F479	C472-K477 HydrophobicContact CB-CB 4.43Å; C472-K477 VanDerWaalsContact CB-O 3.23Å; C472-K477 WeakPolarHBondContact CB-O 3.47Å; C472-K477 PolarHBondContact N-O 3.09Å; C475-K477 PolarHBondContact O-N 2.9Å; C475-K477 VanDerWaalsContact O-N 3.09Å; K477-F479 HydrophobicContact CB-CE2 3.88Å; K477-F479 HydrophobicContact CB-CZ 4.16Å; K477-F479 VanDerWaalsContact O-CD2 3.27Å; K477-F479 WeakPolarHBondContact O-CD2 3.49Å; K477-F479 WeakPolarHBondContact O-CE2 3.38Å
478	S	85.4	Confident	83.9	Confident	49 Å²	49	68.3 Å²	68.3	34%	0.343	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	141.8	178.9	-8.7	0	0	0	0	112.5	K468 G476	K468-S478 WeakPolarHBondContact CD-O 3.13Å; K468-S478 VanDerWaalsContact O-CB 3.28Å; K468-S478 WeakPolarHBondContact O-CB 3.26Å; G476-S478 PolarHBondContact O-N 2.84Å
479	F	82.4	Confident	84.1	Confident	42 Å²	42	65.1 Å²	65.1	18%	0.184	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	151.2	-179.3	-63.2	-89.9	0	0	0	112.1	K468 Y470 C472 K477 S481 Q484 L485 H488	K468-F479 CarbonylContact C-O 3.53Å; K468-F479 VanDerWaalsContact CA-O 3.29Å; K468-F479 WeakPolarHBondContact CA-O 3.32Å; Y470-F479 WeakPolarHBondContact CD2-O 3.35Å; Y470-F479 PolarHBondContact N-O 3.13Å; Y470-F479 VanDerWaalsContact N-O 3.15Å; Y470-F479 PolarHBondContact O-N 2.69Å; C472-F479 HydrophobicContact CB-CE2 4.39Å; K477-F479 HydrophobicContact CB-CE2 3.88Å; K477-F479 HydrophobicContact CB-CZ 4.16Å; K477-F479 VanDerWaalsContact O-CD2 3.27Å; K477-F479 WeakPolarHBondContact O-CD2 3.49Å; K477-F479 WeakPolarHBondContact O-CE2 3.38Å; F479-S481 VanDerWaalsContact C-N 3.29Å; F479-S481 PolarHBondContact O-N 2.92Å; F479-Q484 HydrophobicContact CB-CB 4.25Å; F479-Q484 HydrophobicContact CD1-CB 4.06Å; F479-Q484 HydrophobicContact CG-CB 4.41Å; F479-L485 HydrophobicContact CB-CB 4.34Å; F479-L485 HydrophobicContact CD2-CB 4.1Å; F479-L485 HydrophobicContact CD2-CD1 3.97Å; F479-L485 HydrophobicContact CE2-CD1 4.28Å; F479-L485 HydrophobicContact CG-CB 4.41Å; F479-H488 HydrophobicContact CE1-CB 4.07Å; F479-H488 HydrophobicContact CE2-CB 3.77Å; F479-H488 AromaticContact CE2-CD2 3.31Å; F479-H488 WeakPolarHBondContact CE2-CD2 3.2Å; F479-H488 AromaticContact CE2-CG 3.56Å; F479-H488 HydrophobicContact CZ-CB 3.49Å; F479-H488 VanDerWaalsContact CZ-CB 3.49Å; F479-H488 AromaticContact CZ-CD2 3.45Å; F479-H488 VanDerWaalsContact CZ-CD2 3.45Å; F479-H488 WeakPolarHBondContact CZ-CD2 3.29Å; F479-H488 AromaticContact CZ-CG 3.25Å; F479-H488 AromaticContact CZ-ND1 3.79Å
480	P	77	Confident	84.3	Confident	41 Å²	41	64.4 Å²	64.4	27%	0.266	34%	0.342	S	S	.	.	S	Bend	trans	-78.7	-7.3	179	32.2	-35.8	0	0	0	114.2	R462 Q484	R462-P480 HydrophobicContact CB-CB 4.43Å; R462-P480 PolarHBondContact NH1-O 2.87Å; P480-Q484 VanDerWaalsContact CD-OE1 3.3Å; P480-Q484 VanDerWaalsContact CG-OE1 3.27Å
481	S	79.5	Confident	84.2	Confident	32 Å²	32	66.2 Å²	66.2	22%	0.224	36%	0.356	C	S	.	.	S	Bend	trans	-146	143	178.1	62.5	0	0	0	0	113.8	Y470 F479 S483 Q484 L485	Y470-S481 VanDerWaalsContact CD2-CA 3.41Å; F479-S481 VanDerWaalsContact C-N 3.29Å; F479-S481 PolarHBondContact O-N 2.92Å; S481-S483 VanDerWaalsContact C-N 3.25Å; S481-S483 PolarHBondContact O-N 2.76Å; S481-Q484 PolarHBondContact O-N 2.72Å; S481-Q484 VanDerWaalsContact O-N 3.13Å; S481-Q484 WeakPolarHBondContact OG-CB 3.42Å; S481-Q484 VanDerWaalsContact OG-CG 3.22Å; S481-Q484 WeakPolarHBondContact OG-CG 3.4Å; S481-Q484 PolarHBondContact OG-OE1 3.19Å; S481-L485 PolarHBondContact O-N 3.23Å; S481-L485 VanDerWaalsContact O-N 3.16Å
482	K	80.8	Confident	84.1	Confident	137 Å²	137	64.6 Å²	64.6	60%	0.596	35%	0.348	S	S	*	.	H	α-helix	trans	-57.7	-35.1	178.5	-170.6	173.6	-178.3	175.2	0	112.6	Y470 L485 Q486	Y470-K482 HydrophobicContact CD1-CB 3.92Å; Y470-K482 HydrophobicContact CD1-CG 4.47Å; Y470-K482 HydrophobicContact CE1-CB 3.9Å; Y470-K482 HydrophobicContact CG-CB 4.37Å; K482-L485 PolarHBondContact O-N 3.35Å; K482-Q486 HydrophobicContact CG-CG 4.47Å; K482-Q486 WeakPolarHBondContact O-CB 3.18Å; K482-Q486 VanDerWaalsContact O-CG 3.25Å; K482-Q486 WeakPolarHBondContact O-CG 3.37Å; K482-Q486 PolarHBondContact O-N 3Å
483	S	80.3	Confident	83.8	Confident	87 Å²	87	68.7 Å²	68.7	61%	0.608	37%	0.373	S	S	*	.	H	α-helix	trans	-67.4	-35.2	177.8	50.4	0	0	0	0	113.2	S481 M487	S481-S483 VanDerWaalsContact C-N 3.25Å; S481-S483 PolarHBondContact O-N 2.76Å; S483-M487 WeakPolarHBondContact O-CB 3.38Å; S483-M487 PolarHBondContact O-N 3.16Å
484	Q	82.4	Confident	83.6	Confident	71 Å²	71	66.3 Å²	66.3	33%	0.332	36%	0.363	S	S	.	.	H	α-helix	trans	-71.7	-40.3	173.9	-72.5	169.4	-8	0	0	111.7	F479 P480 S481 Q486 M487 H488	F479-Q484 HydrophobicContact CB-CB 4.25Å; F479-Q484 HydrophobicContact CD1-CB 4.06Å; F479-Q484 HydrophobicContact CG-CB 4.41Å; P480-Q484 VanDerWaalsContact CD-OE1 3.3Å; P480-Q484 VanDerWaalsContact CG-OE1 3.27Å; S481-Q484 PolarHBondContact O-N 2.72Å; S481-Q484 VanDerWaalsContact O-N 3.13Å; S481-Q484 WeakPolarHBondContact OG-CB 3.42Å; S481-Q484 VanDerWaalsContact OG-CG 3.22Å; S481-Q484 WeakPolarHBondContact OG-CG 3.4Å; S481-Q484 PolarHBondContact OG-OE1 3.19Å; Q484-Q486 PolarHBondContact O-N 3.33Å; Q484-M487 PolarHBondContact O-N 3.33Å; Q484-H488 WeakPolarHBondContact O-CB 3.32Å; Q484-H488 PolarHBondContact O-N 3.45Å
485	L	87.1	Confident	83.5	Confident	17 Å²	17	66.9 Å²	66.9	9%	0.089	36%	0.363	C	S	.	.	H	α-helix	trans	-58.6	-45.7	171.6	171.8	61.4	0	0	0	111.5	E471 C472 F479 S481 K482 M487 H488 K489	E471-L485 VanDerWaalsContact O-CD2 3.3Å; E471-L485 WeakPolarHBondContact O-CD2 3.28Å; C472-L485 HydrophobicContact CB-CD1 3.6Å; F479-L485 HydrophobicContact CB-CB 4.34Å; F479-L485 HydrophobicContact CD2-CB 4.1Å; F479-L485 HydrophobicContact CD2-CD1 3.97Å; F479-L485 HydrophobicContact CE2-CD1 4.28Å; F479-L485 HydrophobicContact CG-CB 4.41Å; S481-L485 PolarHBondContact O-N 3.23Å; S481-L485 VanDerWaalsContact O-N 3.16Å; K482-L485 PolarHBondContact O-N 3.35Å; L485-M487 PolarHBondContact O-N 3.33Å; L485-H488 CarbonylContact O-C 3.3Å; L485-H488 WeakPolarHBondContact O-CA 3.49Å; L485-H488 WeakPolarHBondContact O-CB 3.43Å; L485-H488 PolarHBondContact O-N 3.3Å; L485-K489 HydrophobicContact CD1-CG 4.38Å; L485-K489 PolarHBondContact O-N 2.95Å
486	Q	84.3	Confident	83.5	Confident	97 Å²	97	70.2 Å²	70.2	45%	0.453	37%	0.372	S	S	.	.	H	α-helix	trans	-66	-37.2	178.3	-70.1	-65.9	-33.1	0	0	112.4	K482 Q484 H488	K482-Q486 HydrophobicContact CG-CG 4.47Å; K482-Q486 WeakPolarHBondContact O-CB 3.18Å; K482-Q486 VanDerWaalsContact O-CG 3.25Å; K482-Q486 WeakPolarHBondContact O-CG 3.37Å; K482-Q486 PolarHBondContact O-N 3Å; Q484-Q486 PolarHBondContact O-N 3.33Å; Q486-H488 VanDerWaalsContact C-N 3.28Å; Q486-H488 PolarHBondContact O-N 2.86Å
487	M	84.1	Confident	83.6	Confident	80 Å²	80	71.4 Å²	71.4	39%	0.394	37%	0.373	S	S	.	.	H	α-helix	trans	-65.6	-31.8	170	-175.4	179.2	65.6	0	0	112.3	S483 Q484 L485 N509	S483-M487 WeakPolarHBondContact O-CB 3.38Å; S483-M487 PolarHBondContact O-N 3.16Å; Q484-M487 PolarHBondContact O-N 3.33Å; L485-M487 PolarHBondContact O-N 3.33Å; M487-N509 HydrophobicContact CG-CB 4.3Å; M487-N509 HydrophobicContact SD-CB 3.73Å
488	H	86.3	Confident	83.8	Confident	19 Å²	19	69.2 Å²	69.2	9%	0.088	36%	0.362	C	S	.	.	H	α-helix	trans	-73.9	-40.3	177.6	176.9	58.7	0	0	0	113	C472 C475 F479 Q484 L485 Q486 R490 I491 H492	C472-H488 VanDerWaalsContact SG-CD2 3.55Å; C475-H488 PolarHBondContact SG-NE2 2.94Å; F479-H488 HydrophobicContact CE1-CB 4.07Å; F479-H488 HydrophobicContact CE2-CB 3.77Å; F479-H488 AromaticContact CE2-CD2 3.31Å; F479-H488 WeakPolarHBondContact CE2-CD2 3.2Å; F479-H488 AromaticContact CE2-CG 3.56Å; F479-H488 HydrophobicContact CZ-CB 3.49Å; F479-H488 VanDerWaalsContact CZ-CB 3.49Å; F479-H488 AromaticContact CZ-CD2 3.45Å; F479-H488 VanDerWaalsContact CZ-CD2 3.45Å; F479-H488 WeakPolarHBondContact CZ-CD2 3.29Å; F479-H488 AromaticContact CZ-CG 3.25Å; F479-H488 AromaticContact CZ-ND1 3.79Å; Q484-H488 WeakPolarHBondContact O-CB 3.32Å; Q484-H488 PolarHBondContact O-N 3.45Å; L485-H488 CarbonylContact O-C 3.3Å; L485-H488 WeakPolarHBondContact O-CA 3.49Å; L485-H488 WeakPolarHBondContact O-CB 3.43Å; L485-H488 PolarHBondContact O-N 3.3Å; Q486-H488 VanDerWaalsContact C-N 3.28Å; Q486-H488 PolarHBondContact O-N 2.86Å; H488-R490 PolarHBondContact O-N 3.07Å; H488-R490 VanDerWaalsContact O-N 3.12Å; H488-I491 VanDerWaalsContact O-CB 3.26Å; H488-I491 WeakPolarHBondContact O-CB 3.39Å; H488-I491 WeakPolarHBondContact O-CG1 3.3Å; H488-I491 PolarHBondContact O-N 2.87Å; H488-H492 AromaticContact CD2-NE2 3.18Å; H488-H492 PolarHBondContact CD2-NE2 2.84Å; H488-H492 AromaticContact CE1-NE2 3.29Å; H488-H492 PolarHBondContact CE1-NE2 2.8Å; H488-H492 VanDerWaalsContact CE1-NE2 3.29Å; H488-H492 AromaticContact NE2-NE2 2.48Å; H488-H492 PolarHBondContact NE2-NE2 3.39Å
489	K	85.8	Confident	83.8	Confident	53 Å²	53	71.9 Å²	71.9	23%	0.23	37%	0.371	C	S	.	.	H	α-helix	trans	-56.5	-29.1	178.1	-81.9	-171.4	164.2	-81.8	0	113.4	S473 D474 L485 I491 H492 T493	S473-K489 PolarHBondContact OG-NZ 3.43Å; D474-K489 VanDerWaalsContact CG-NZ 3.26Å; D474-K489 IonicContact OD1-NZ 3.51Å; D474-K489 PolarHBondContact OD1-NZ 2.92Å; D474-K489 IonicContact OD2-NZ 3.43Å; D474-K489 PolarHBondContact OD2-NZ 2.99Å; L485-K489 HydrophobicContact CD1-CG 4.38Å; L485-K489 PolarHBondContact O-N 2.95Å; K489-I491 PolarHBondContact O-N 3.48Å; K489-I491 VanDerWaalsContact O-N 3.13Å; K489-H492 WeakPolarHBondContact O-CB 3.42Å; K489-H492 PolarHBondContact O-N 3.05Å; K489-T493 PolarHBondContact O-N 3.36Å
490	R	86.8	Confident	84.1	Confident	58 Å²	58	69.9 Å²	69.9	22%	0.219	36%	0.363	C	S	.	.	H	α-helix	trans	-62.1	-14.1	171.6	-63.3	-173.8	177.3	146.6	5.8	115.4	H488 G494 E495 T508	H488-R490 PolarHBondContact O-N 3.07Å; H488-R490 VanDerWaalsContact O-N 3.12Å; R490-G494 CarbonylContact O-C 3.55Å; R490-G494 WeakPolarHBondContact O-CA 3.28Å; R490-G494 PolarHBondContact O-N 3.14Å; R490-G494 VanDerWaalsContact O-N 3.14Å; R490-E495 HydrophobicContact CB-CB 4.12Å; R490-E495 HydrophobicContact CG-CB 3.92Å; R490-E495 IonicContact NE-OE2 3.93Å; R490-E495 PolarHBondContact O-N 3.37Å; R490-T508 WeakPolarHBondContact CD-O 3.47Å; R490-T508 PolarHBondContact NH1-O 3.05Å; R490-T508 VanDerWaalsContact NH1-O 3.09Å
491	I	83.7	Confident	84.6	Confident	115 Å²	115	74 Å²	74	59%	0.59	39%	0.387	S	S	*	.	H	α-helix	trans	-75.8	-32.5	171.4	-57.6	-176.9	0	0	0	110.2	H488 K489	H488-I491 VanDerWaalsContact O-CB 3.26Å; H488-I491 WeakPolarHBondContact O-CB 3.39Å; H488-I491 WeakPolarHBondContact O-CG1 3.3Å; H488-I491 PolarHBondContact O-N 2.87Å; K489-I491 PolarHBondContact O-N 3.48Å; K489-I491 VanDerWaalsContact O-N 3.13Å
492	H	85	Confident	84.7	Confident	87 Å²	87	77.7 Å²	77.7	40%	0.403	40%	0.401	S	S	.	.	H	α-helix	trans	-83.5	-44.4	177.6	-53.7	-55.9	0	0	0	111.8	C472 D474 C475 H488 K489 G494	C472-H492 PolarHBondContact SG-NE2 3.42Å; D474-H492 IonicContact OD2-CD2 2.76Å; D474-H492 PolarHBondContact OD2-CD2 3.31Å; C475-H492 WeakPolarHBondContact CB-CE1 3.48Å; C475-H492 PolarHBondContact SG-CE1 3.15Å; C475-H492 PolarHBondContact SG-NE2 2.84Å; H488-H492 AromaticContact CD2-NE2 3.18Å; H488-H492 PolarHBondContact CD2-NE2 2.84Å; H488-H492 AromaticContact CE1-NE2 3.29Å; H488-H492 PolarHBondContact CE1-NE2 2.8Å; H488-H492 VanDerWaalsContact CE1-NE2 3.29Å; H488-H492 AromaticContact NE2-NE2 2.48Å; H488-H492 PolarHBondContact NE2-NE2 3.39Å; K489-H492 WeakPolarHBondContact O-CB 3.42Å; K489-H492 PolarHBondContact O-N 3.05Å; H492-G494 PolarHBondContact O-N 3.34Å
493	T	83.9	Confident	84.8	Confident	86 Å²	86	73.5 Å²	73.5	53%	0.528	39%	0.388	S	S	.	.	S	Bend	trans	-76.3	-10	176.1	65.4	0	0	0	0	113.6	K489 E495	K489-T493 PolarHBondContact O-N 3.36Å; T493-E495 WeakPolarHBondContact CB-OE1 3.23Å; T493-E495 PolarHBondContact O-N 3.46Å; T493-E495 VanDerWaalsContact O-N 3.11Å; T493-E495 VanDerWaalsContact OG1-CD 3.29Å; T493-E495 WeakPolarHBondContact OG1-CG 3.27Å; T493-E495 PolarHBondContact OG1-OE1 3.07Å
494	G	82.1	Confident	84.9	Confident	42 Å²	42	72 Å²	72	43%	0.433	39%	0.387	S	S	.	.			trans	70.6	-3.1	-177.1	0	0	0	0	0	115.4	R490 H492 K496	R490-G494 CarbonylContact O-C 3.55Å; R490-G494 WeakPolarHBondContact O-CA 3.28Å; R490-G494 PolarHBondContact O-N 3.14Å; R490-G494 VanDerWaalsContact O-N 3.14Å; H492-G494 PolarHBondContact O-N 3.34Å; G494-K496 PolarHBondContact O-N 3.09Å
495	E	84	Confident	84.9	Confident	91 Å²	91	74.6 Å²	74.6	43%	0.425	40%	0.397	S	S	.	.			trans	-50.8	128.5	-177.1	-85.8	169.6	-115.3	0	0	113.7	R490 T493 P497	R490-E495 HydrophobicContact CB-CB 4.12Å; R490-E495 HydrophobicContact CG-CB 3.92Å; R490-E495 IonicContact NE-OE2 3.93Å; R490-E495 PolarHBondContact O-N 3.37Å; T493-E495 WeakPolarHBondContact CB-OE1 3.23Å; T493-E495 PolarHBondContact O-N 3.46Å; T493-E495 VanDerWaalsContact O-N 3.11Å; T493-E495 VanDerWaalsContact OG1-CD 3.29Å; T493-E495 WeakPolarHBondContact OG1-CG 3.27Å; T493-E495 PolarHBondContact OG1-OE1 3.07Å; E495-P497 HydrophobicContact CB-CG 4.46Å
496	K	85.9	Confident	84.9	Confident	116 Å²	116	75.8 Å²	75.8	50%	0.504	41%	0.409	S	S	.	.			trans	-128.6	71.7	175.4	-70.6	157.7	-170.5	164.6	0	111.3	G494 Y498 A506 F507 T508	G494-K496 PolarHBondContact O-N 3.09Å; K496-Y498 PolarHBondContact O-N 3.07Å; K496-A506 HydrophobicContact CB-CB 3.52Å; K496-A506 HydrophobicContact CD-CB 4.23Å; K496-A506 HydrophobicContact CG-CB 4.42Å; K496-F507 CarbonylContact C-O 3.55Å; K496-F507 VanDerWaalsContact CA-O 3.25Å; K496-F507 WeakPolarHBondContact CA-O 3.25Å; K496-T508 HydrophobicContact CG-CG2 3.92Å
497	P	86.1	Confident	84.9	Confident	66 Å²	66	73.2 Å²	73.2	43%	0.429	40%	0.396	S	S	.	.			trans	-68.2	-8.4	-170.2	-20.8	34.9	0	0	0	115.1	E495	E495-P497 HydrophobicContact CB-CG 4.46Å
498	Y	87.4	Confident	84.9	Confident	68 Å²	68	71.3 Å²	71.3	27%	0.267	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	89.5	-175.9	-52.7	-74.9	0	0	0	109.9	K496 F507 N509 R510	K496-Y498 PolarHBondContact O-N 3.07Å; Y498-F507 WeakPolarHBondContact CD2-O 3.21Å; Y498-F507 PolarHBondContact N-O 2.94Å; Y498-F507 VanDerWaalsContact N-O 3.16Å; Y498-F507 PolarHBondContact O-N 2.92Å; Y498-N509 VanDerWaalsContact CD2-CA 3.41Å; Y498-N509 VanDerWaalsContact CE2-CA 3.49Å; Y498-R510 HydrophobicContact CD1-CB 3.9Å; Y498-R510 HydrophobicContact CD1-CG 4.25Å; Y498-R510 HydrophobicContact CE1-CB 3.88Å; Y498-R510 HydrophobicContact CE1-CG 4.43Å; Y498-R510 HydrophobicContact CG-CB 4.28Å
499	I	85.4	Confident	84.7	Confident	105 Å²	105	71.7 Å²	71.7	54%	0.538	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	134.9	-179.8	-55.3	176.6	0	0	0	110	T501 A506	I499-T501 PolarHBondContact O-N 3Å; I499-A506 HydrophobicContact CG1-CB 4.05Å
500	C	88.1	Confident	84.6	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	41%	0.414	C	S	.	.			trans	-78.3	115.9	170.8	-175.5	0	0	0	0	110.4	E502 C503 G504 K505 F507 L513 H520	C500-E502 PolarHBondContact O-N 2.68Å; C500-C503 PolarHBondContact O-N 3.5Å; C500-G504 WeakPolarHBondContact O-CA 3.25Å; C500-G504 PolarHBondContact O-N 3.03Å; C500-K505 WeakPolarHBondContact CB-O 3.25Å; C500-K505 PolarHBondContact N-O 2.91Å; C500-F507 HydrophobicContact CB-CE2 4.42Å; C500-L513 HydrophobicContact CB-CD1 3.55Å; C500-H520 PolarHBondContact SG-NE2 2.92Å; C500-H520 VanDerWaalsContact SG-NE2 3.4Å
501	T	86.8	Confident	84.3	Confident	128 Å²	128	79.3 Å²	79.3	79%	0.785	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.1	179.9	48.4	0	0	0	0	114	I499	I499-T501 PolarHBondContact O-N 3Å
502	E	83.2	Confident	84.2	Confident	108 Å²	108	77.3 Å²	77.3	51%	0.505	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-18.7	-174.5	-65.1	159.7	152.6	0	0	112.9	C500 H520	C500-E502 PolarHBondContact O-N 2.68Å; E502-H520 IonicContact OE2-CD2 3.91Å; E502-H520 PolarHBondContact OE2-CD2 3.44Å; E502-H520 IonicContact OE2-CG 3.62Å
503	C	81.6	Confident	84.2	Confident	50 Å²	50	74 Å²	74	34%	0.338	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.5	15.4	-178.5	79.8	0	0	0	0	115.5	C500 K505 H516 H520	C500-C503 PolarHBondContact O-N 3.5Å; C503-K505 PolarHBondContact O-N 3.31Å; C503-H516 PolarHBondContact SG-NE2 3.22Å; C503-H520 VanDerWaalsContact SG-CE1 3.51Å; C503-H520 PolarHBondContact SG-NE2 3.31Å
504	G	83.1	Confident	84.1	Confident	55 Å²	55	74.5 Å²	74.5	57%	0.567	41%	0.407	S	S	*	.			trans	67.4	-4.6	177.8	0	0	0	0	0	116.8	C500 A506	C500-G504 WeakPolarHBondContact O-CA 3.25Å; C500-G504 PolarHBondContact O-N 3.03Å; G504-A506 PolarHBondContact O-N 3.22Å
505	K	82.7	Confident	83.8	Confident	126 Å²	126	75.4 Å²	75.4	55%	0.548	40%	0.404	S	S	.	.			trans	-68.4	125.9	-175.4	-73	175.9	-173.9	165.9	0	111	C500 C503 F507	C500-K505 WeakPolarHBondContact CB-O 3.25Å; C500-K505 PolarHBondContact N-O 2.91Å; C503-K505 PolarHBondContact O-N 3.31Å; K505-F507 HydrophobicContact CB-CE2 3.78Å; K505-F507 HydrophobicContact CB-CZ 4.11Å; K505-F507 WeakPolarHBondContact O-CD2 3.45Å; K505-F507 VanDerWaalsContact O-CE2 3.23Å; K505-F507 WeakPolarHBondContact O-CE2 3.42Å
506	A	87.3	Confident	83.7	Confident	41 Å²	41	72.3 Å²	72.3	34%	0.339	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	138.5	-175.9	0	0	0	0	0	112.5	K496 I499 G504	K496-A506 HydrophobicContact CB-CB 3.52Å; K496-A506 HydrophobicContact CD-CB 4.23Å; K496-A506 HydrophobicContact CG-CB 4.42Å; I499-A506 HydrophobicContact CG1-CB 4.05Å; G504-A506 PolarHBondContact O-N 3.22Å
507	F	84.9	Confident	83.4	Confident	44 Å²	44	69.7 Å²	69.7	19%	0.193	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	148.3	-176	-61.3	-93.8	0	0	0	112.3	K496 Y498 C500 K505 N512 L513 H516	K496-F507 CarbonylContact C-O 3.55Å; K496-F507 VanDerWaalsContact CA-O 3.25Å; K496-F507 WeakPolarHBondContact CA-O 3.25Å; Y498-F507 WeakPolarHBondContact CD2-O 3.21Å; Y498-F507 PolarHBondContact N-O 2.94Å; Y498-F507 VanDerWaalsContact N-O 3.16Å; Y498-F507 PolarHBondContact O-N 2.92Å; C500-F507 HydrophobicContact CB-CE2 4.42Å; K505-F507 HydrophobicContact CB-CE2 3.78Å; K505-F507 HydrophobicContact CB-CZ 4.11Å; K505-F507 WeakPolarHBondContact O-CD2 3.45Å; K505-F507 VanDerWaalsContact O-CE2 3.23Å; K505-F507 WeakPolarHBondContact O-CE2 3.42Å; F507-N512 HydrophobicContact CB-CB 4.45Å; F507-N512 HydrophobicContact CD1-CB 3.83Å; F507-N512 HydrophobicContact CG-CB 4.43Å; F507-L513 HydrophobicContact CB-CB 4.32Å; F507-L513 HydrophobicContact CD2-CB 4.09Å; F507-L513 HydrophobicContact CD2-CD1 3.99Å; F507-L513 HydrophobicContact CE2-CD1 4.22Å; F507-L513 HydrophobicContact CG-CB 4.31Å; F507-H516 HydrophobicContact CE1-CB 4.12Å; F507-H516 HydrophobicContact CE2-CB 4.14Å; F507-H516 AromaticContact CE2-CD2 3.26Å; F507-H516 WeakPolarHBondContact CE2-CD2 3.42Å; F507-H516 AromaticContact CE2-CG 3.89Å; F507-H516 HydrophobicContact CZ-CB 3.63Å; F507-H516 AromaticContact CZ-CD2 3.26Å; F507-H516 WeakPolarHBondContact CZ-CD2 3.09Å; F507-H516 AromaticContact CZ-CG 3.44Å; F507-H516 VanDerWaalsContact CZ-CG 3.44Å
508	T	82.8	Confident	83.1	Confident	39 Å²	39	68.5 Å²	68.5	24%	0.239	37%	0.367	C	S	.	.	S	Bend	trans	-75.5	-21.6	-179.8	56.4	0	0	0	0	113.6	R490 K496	R490-T508 WeakPolarHBondContact CD-O 3.47Å; R490-T508 PolarHBondContact NH1-O 3.05Å; R490-T508 VanDerWaalsContact NH1-O 3.09Å; K496-T508 HydrophobicContact CG-CG2 3.92Å
509	N	83.1	Confident	82.5	Confident	27 Å²	27	68.4 Å²	68.4	14%	0.144	38%	0.377	C	S	.	.	S	Bend	trans	-136.9	158.6	178	78.9	32.5	0	0	0	111.9	M487 Y498 S511 N512	M487-N509 HydrophobicContact CG-CB 4.3Å; M487-N509 HydrophobicContact SD-CB 3.73Å; Y498-N509 VanDerWaalsContact CD2-CA 3.41Å; Y498-N509 VanDerWaalsContact CE2-CA 3.49Å; N509-S511 PolarHBondContact OD1-N 2.94Å; N509-N512 PolarHBondContact ND2-OD1 3.09Å; N509-N512 VanDerWaalsContact OD1-CB 3.24Å; N509-N512 WeakPolarHBondContact OD1-CB 3.47Å; N509-N512 PolarHBondContact OD1-N 3.28Å; N509-N512 PolarHBondContact OD1-OD1 3.45Å; N509-N512 VanDerWaalsContact OD1-OD1 3.12Å
510	R	82.6	Confident	82	Confident	188 Å²	188	67 Å²	67	71%	0.709	37%	0.368	S	S	*	.	H	α-helix	trans	-73.8	-27.1	-177.8	-169	171.5	-178.6	144.5	2.7	113.4	Y498 L513 N514	Y498-R510 HydrophobicContact CD1-CB 3.9Å; Y498-R510 HydrophobicContact CD1-CG 4.25Å; Y498-R510 HydrophobicContact CE1-CB 3.88Å; Y498-R510 HydrophobicContact CE1-CG 4.43Å; Y498-R510 HydrophobicContact CG-CB 4.28Å; R510-L513 PolarHBondContact O-N 3.28Å; R510-N514 WeakPolarHBondContact O-CB 3.29Å; R510-N514 PolarHBondContact O-N 3.02Å
511	S	79.9	Confident	81.2	Confident	84 Å²	84	71.2 Å²	71.2	59%	0.587	39%	0.394	S	S	*	.	H	α-helix	trans	-67.3	-42.2	-179.2	-55.6	0	0	0	0	112.1	N509 N514 T515	N509-S511 PolarHBondContact OD1-N 2.94Å; S511-N514 PolarHBondContact O-N 2.81Å; S511-T515 PolarHBondContact O-N 3.19Å; S511-T515 PolarHBondContact O-OG1 3.41Å
512	N	82.2	Confident	80.2	Confident	73 Å²	73	67.2 Å²	67.2	39%	0.39	38%	0.377	S	S	.	.	H	α-helix	trans	-69.6	-35.5	177.5	-65	9.1	0	0	0	111.4	F507 N509 T515 H516	F507-N512 HydrophobicContact CB-CB 4.45Å; F507-N512 HydrophobicContact CD1-CB 3.83Å; F507-N512 HydrophobicContact CG-CB 4.43Å; N509-N512 PolarHBondContact ND2-OD1 3.09Å; N509-N512 VanDerWaalsContact OD1-CB 3.24Å; N509-N512 WeakPolarHBondContact OD1-CB 3.47Å; N509-N512 PolarHBondContact OD1-N 3.28Å; N509-N512 PolarHBondContact OD1-OD1 3.45Å; N509-N512 VanDerWaalsContact OD1-OD1 3.12Å; N512-T515 WeakPolarHBondContact CA-OG1 3.33Å; N512-T515 PolarHBondContact O-OG1 2.93Å; N512-H516 WeakPolarHBondContact O-CB 3.37Å; N512-H516 PolarHBondContact O-N 3.13Å
513	L	84.9	Confident	79.4	Confident	17 Å²	17	67 Å²	67	9%	0.089	38%	0.377	C	S	.	.	H	α-helix	trans	-61.4	-48	169.7	172.9	60.1	0	0	0	110.6	C500 F507 R510 T515 H516 Q517	C500-L513 HydrophobicContact CB-CD1 3.55Å; F507-L513 HydrophobicContact CB-CB 4.32Å; F507-L513 HydrophobicContact CD2-CB 4.09Å; F507-L513 HydrophobicContact CD2-CD1 3.99Å; F507-L513 HydrophobicContact CE2-CD1 4.22Å; F507-L513 HydrophobicContact CG-CB 4.31Å; R510-L513 PolarHBondContact O-N 3.28Å; L513-T515 PolarHBondContact O-N 2.99Å; L513-H516 CarbonylContact O-C 3.58Å; L513-H516 WeakPolarHBondContact O-CA 3.11Å; L513-H516 WeakPolarHBondContact O-CB 3.21Å; L513-H516 PolarHBondContact O-N 3.45Å; L513-H516 VanDerWaalsContact O-N 3.12Å; L513-Q517 HydrophobicContact CD1-CG 3.96Å; L513-Q517 HydrophobicContact CG-CG 4.4Å; L513-Q517 WeakPolarHBondContact O-CG 3.49Å; L513-Q517 PolarHBondContact O-N 2.87Å
514	N	81.8	Confident	78.8	Confident	96 Å²	96	70.3 Å²	70.3	51%	0.513	39%	0.385	S	S	.	.	H	α-helix	trans	-64	-39.9	-178.8	-172.7	36.7	0	0	0	113	R510 S511 H516 Q517 K518	R510-N514 WeakPolarHBondContact O-CB 3.29Å; R510-N514 PolarHBondContact O-N 3.02Å; S511-N514 PolarHBondContact O-N 2.81Å; N514-H516 VanDerWaalsContact C-N 3.32Å; N514-Q517 PolarHBondContact O-N 2.68Å; N514-K518 PolarHBondContact O-N 3.39Å
515	T	76.6	Confident	78.3	Confident	62 Å²	62	70.4 Å²	70.4	38%	0.38	38%	0.377	S	S	.	.	H	α-helix	trans	-71.9	-25.7	173.4	54.3	0	0	0	0	112.9	S511 N512 L513	S511-T515 PolarHBondContact O-N 3.19Å; S511-T515 PolarHBondContact O-OG1 3.41Å; N512-T515 WeakPolarHBondContact CA-OG1 3.33Å; N512-T515 PolarHBondContact O-OG1 2.93Å; L513-T515 PolarHBondContact O-N 2.99Å
516	H	81.5	Confident	78.1	Confident	26 Å²	26	67.3 Å²	67.3	12%	0.12	36%	0.362	C	S	.	.	H	α-helix	trans	-73.9	-39.8	170.1	173.1	46.2	0	0	0	113	C503 F507 N512 L513 N514 K518 S519 H520	C503-H516 PolarHBondContact SG-NE2 3.22Å; F507-H516 HydrophobicContact CE1-CB 4.12Å; F507-H516 HydrophobicContact CE2-CB 4.14Å; F507-H516 AromaticContact CE2-CD2 3.26Å; F507-H516 WeakPolarHBondContact CE2-CD2 3.42Å; F507-H516 AromaticContact CE2-CG 3.89Å; F507-H516 HydrophobicContact CZ-CB 3.63Å; F507-H516 AromaticContact CZ-CD2 3.26Å; F507-H516 WeakPolarHBondContact CZ-CD2 3.09Å; F507-H516 AromaticContact CZ-CG 3.44Å; F507-H516 VanDerWaalsContact CZ-CG 3.44Å; N512-H516 WeakPolarHBondContact O-CB 3.37Å; N512-H516 PolarHBondContact O-N 3.13Å; L513-H516 CarbonylContact O-C 3.58Å; L513-H516 WeakPolarHBondContact O-CA 3.11Å; L513-H516 WeakPolarHBondContact O-CB 3.21Å; L513-H516 PolarHBondContact O-N 3.45Å; L513-H516 VanDerWaalsContact O-N 3.12Å; N514-H516 VanDerWaalsContact C-N 3.32Å; H516-K518 PolarHBondContact O-N 2.96Å; H516-S519 PolarHBondContact ND1-OG 3.14Å; H516-S519 VanDerWaalsContact ND1-OG 3.11Å; H516-S519 WeakPolarHBondContact O-CA 3.42Å; H516-S519 VanDerWaalsContact O-CB 3.32Å; H516-S519 WeakPolarHBondContact O-CB 3.21Å; H516-S519 PolarHBondContact O-N 3Å; H516-S519 PolarHBondContact O-OG 3.38Å; H516-H520 AromaticContact CE1-CE1 3.61Å; H516-H520 AromaticContact CE1-NE2 3.27Å; H516-H520 PolarHBondContact CE1-NE2 2.95Å; H516-H520 VanDerWaalsContact CE1-NE2 3.27Å; H516-H520 AromaticContact NE2-CE1 3.86Å; H516-H520 AromaticContact NE2-NE2 3.16Å; H516-H520 PolarHBondContact NE2-NE2 3.06Å; H516-H520 VanDerWaalsContact NE2-NE2 3.16Å
517	Q	80.2	Confident	77.6	Confident	61 Å²	61	70.8 Å²	70.8	29%	0.285	37%	0.374	S	S	.	.	H	α-helix	trans	-60	-35.1	177.4	-73.1	176.9	-71.5	0	0	111.7	L513 N514 S519 H520 T521	L513-Q517 HydrophobicContact CD1-CG 3.96Å; L513-Q517 HydrophobicContact CG-CG 4.4Å; L513-Q517 WeakPolarHBondContact O-CG 3.49Å; L513-Q517 PolarHBondContact O-N 2.87Å; N514-Q517 PolarHBondContact O-N 2.68Å; Q517-S519 PolarHBondContact O-N 3.41Å; Q517-S519 VanDerWaalsContact O-N 3.1Å; Q517-H520 PolarHBondContact O-N 3.12Å; Q517-T521 PolarHBondContact O-N 2.97Å
518	K	79.6	Confident	77.6	Confident	41 Å²	41	68.9 Å²	68.9	18%	0.178	37%	0.366	C	S	.	.	H	α-helix	trans	-57.5	-19.9	168.7	-75.1	178.4	165.9	-72.4	0	115.3	N514 H516 G522 E523 S525 T536	N514-K518 PolarHBondContact O-N 3.39Å; H516-K518 PolarHBondContact O-N 2.96Å; K518-G522 PolarHBondContact O-N 3.15Å; K518-E523 IonicContact NZ-OE2 3.69Å; K518-E523 PolarHBondContact NZ-OE2 2.95Å; K518-E523 PolarHBondContact O-N 3.43Å; K518-S525 PolarHBondContact NZ-OG 3.14Å; K518-T536 HydrophobicContact CB-CG2 4.23Å; K518-T536 WeakPolarHBondContact O-CG2 3.25Å
519	S	74.3	Confident	77.4	Confident	66 Å²	66	72 Å²	72	46%	0.462	40%	0.396	S	S	.	.	H	α-helix	trans	-81.7	-20.5	174.6	71	0	0	0	0	113.5	H516 Q517	H516-S519 PolarHBondContact ND1-OG 3.14Å; H516-S519 VanDerWaalsContact ND1-OG 3.11Å; H516-S519 WeakPolarHBondContact O-CA 3.42Å; H516-S519 VanDerWaalsContact O-CB 3.32Å; H516-S519 WeakPolarHBondContact O-CB 3.21Å; H516-S519 PolarHBondContact O-N 3Å; H516-S519 PolarHBondContact O-OG 3.38Å; Q517-S519 PolarHBondContact O-N 3.41Å; Q517-S519 VanDerWaalsContact O-N 3.1Å
520	H	74.8	Confident	77.4	Confident	76 Å²	76	76.6 Å²	76.6	35%	0.352	42%	0.417	S	S	.	.	H	α-helix	trans	-83.7	-45	172	-61.5	-53.1	0	0	0	111.4	C500 E502 C503 H516 Q517 G522	C500-H520 PolarHBondContact SG-NE2 2.92Å; C500-H520 VanDerWaalsContact SG-NE2 3.4Å; E502-H520 IonicContact OE2-CD2 3.91Å; E502-H520 PolarHBondContact OE2-CD2 3.44Å; E502-H520 IonicContact OE2-CG 3.62Å; C503-H520 VanDerWaalsContact SG-CE1 3.51Å; C503-H520 PolarHBondContact SG-NE2 3.31Å; H516-H520 AromaticContact CE1-CE1 3.61Å; H516-H520 AromaticContact CE1-NE2 3.27Å; H516-H520 PolarHBondContact CE1-NE2 2.95Å; H516-H520 VanDerWaalsContact CE1-NE2 3.27Å; H516-H520 AromaticContact NE2-CE1 3.86Å; H516-H520 AromaticContact NE2-NE2 3.16Å; H516-H520 PolarHBondContact NE2-NE2 3.06Å; H516-H520 VanDerWaalsContact NE2-NE2 3.16Å; Q517-H520 PolarHBondContact O-N 3.12Å; H520-G522 PolarHBondContact O-N 3.05Å
521	T	71.6	Confident	77.4	Confident	88 Å²	88	70 Å²	70	54%	0.54	40%	0.399	S	S	.	.	S	Bend	trans	-71.5	-8.5	178.6	63.1	0	0	0	0	114.2	Q517 E523	Q517-T521 PolarHBondContact O-N 2.97Å; T521-E523 PolarHBondContact O-N 2.82Å; T521-E523 VanDerWaalsContact O-N 3.11Å; T521-E523 WeakPolarHBondContact OG1-CB 3.2Å; T521-E523 PolarHBondContact OG1-N 3.28Å
522	G	66.1	Low	77.3	Confident	43 Å²	43	68.5 Å²	68.5	44%	0.443	40%	0.396	S	S	.	.			trans	64.9	9	-174.8	0	0	0	0	0	114.6	K518 H520 K524	K518-G522 PolarHBondContact O-N 3.15Å; H520-G522 PolarHBondContact O-N 3.05Å; G522-K524 WeakPolarHBondContact O-CG 3.45Å; G522-K524 PolarHBondContact O-N 3.14Å
523	E	65.3	Low	77.1	Confident	105 Å²	105	71 Å²	71	49%	0.491	40%	0.404	S	S	.	.			trans	-73.1	71.6	-171.9	-166.6	-163.3	-144.4	0	0	112	K518 T521 S525	K518-E523 IonicContact NZ-OE2 3.69Å; K518-E523 PolarHBondContact NZ-OE2 2.95Å; K518-E523 PolarHBondContact O-N 3.43Å; T521-E523 PolarHBondContact O-N 2.82Å; T521-E523 VanDerWaalsContact O-N 3.11Å; T521-E523 WeakPolarHBondContact OG1-CB 3.2Å; T521-E523 PolarHBondContact OG1-N 3.28Å; E523-S525 VanDerWaalsContact C-N 3.29Å; E523-S525 PolarHBondContact O-N 3.1Å; E523-S525 PolarHBondContact O-OG 3.06Å
524	K	68.6	Low	76.7	Confident	118 Å²	118	71.7 Å²	71.7	51%	0.513	41%	0.412	S	S	.	.			trans	-74.3	76	-179.8	-68.3	163.5	176.3	179.2	0	111.2	G522 Y526 A534 F535 T536	G522-K524 WeakPolarHBondContact O-CG 3.45Å; G522-K524 PolarHBondContact O-N 3.14Å; K524-Y526 PolarHBondContact O-N 3.36Å; K524-A534 HydrophobicContact CB-CB 3.71Å; K524-A534 HydrophobicContact CD-CB 3.83Å; K524-A534 WeakPolarHBondContact CD-O 3.45Å; K524-A534 HydrophobicContact CG-CB 4.32Å; K524-F535 CarbonylContact C-O 3.6Å; K524-F535 VanDerWaalsContact CA-O 3.28Å; K524-F535 WeakPolarHBondContact CA-O 3.37Å; K524-T536 HydrophobicContact CG-CG2 4.12Å
525	S	73.9	Confident	76.6	Confident	57 Å²	57	69.6 Å²	69.6	40%	0.399	40%	0.398	S	S	.	.			trans	-62.1	-6.8	-173.7	-43.9	0	0	0	0	115.9	K518 E523 F535	K518-S525 PolarHBondContact NZ-OG 3.14Å; E523-S525 VanDerWaalsContact C-N 3.29Å; E523-S525 PolarHBondContact O-N 3.1Å; E523-S525 PolarHBondContact O-OG 3.06Å; S525-F535 PolarHBondContact N-O 2.84Å
526	Y	77.7	Confident	76.5	Confident	62 Å²	62	68.6 Å²	68.6	24%	0.243	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	102.9	-177.2	-50.1	-74.3	0	0	0	110.3	K524 A534 F535 D537 R538 F541	K524-Y526 PolarHBondContact O-N 3.36Å; Y526-A534 CarbonylContact O-C 3.58Å; Y526-A534 WeakPolarHBondContact O-CA 3.38Å; Y526-F535 PolarHBondContact N-O 3.27Å; Y526-F535 PolarHBondContact O-N 3.12Å; Y526-D537 VanDerWaalsContact CD2-C 3.43Å; Y526-R538 HydrophobicContact CD1-CB 4.4Å; Y526-R538 HydrophobicContact CD2-CB 4.41Å; Y526-R538 HydrophobicContact CE1-CB 3.98Å; Y526-R538 HydrophobicContact CE1-CG 4.4Å; Y526-R538 HydrophobicContact CE2-CB 3.99Å; Y526-R538 VanDerWaalsContact CE2-N 3.3Å; Y526-F541 HydrophobicContact CG-CB 4.42Å
527	I	77.5	Confident	76.2	Confident	114 Å²	114	69.2 Å²	69.2	59%	0.585	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.6	-177	-51	-179	0	0	0	109.4	A534 F541	I527-A534 HydrophobicContact CB-CB 4.34Å; I527-A534 HydrophobicContact CG1-CB 3.87Å; I527-A534 HydrophobicContact CG2-CB 4.3Å; I527-F541 VanDerWaalsContact C-CE2 3.5Å; I527-F541 WeakPolarHBondContact O-CE2 3.2Å
528	C	83.9	Confident	76.2	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.02	40%	0.403	C	S	.	.			trans	-83.2	120.2	174.4	-178.5	0	0	0	0	110.1	E530 G532 K533 F541 H548	C528-E530 VanDerWaalsContact C-N 3.27Å; C528-E530 PolarHBondContact O-N 2.96Å; C528-G532 VanDerWaalsContact O-CA 3.24Å; C528-G532 WeakPolarHBondContact O-CA 3.5Å; C528-G532 PolarHBondContact O-N 2.61Å; C528-K533 WeakPolarHBondContact CB-O 3.37Å; C528-K533 PolarHBondContact N-O 3.17Å; C528-F541 HydrophobicContact CB-CE2 3.9Å; C528-H548 VanDerWaalsContact SG-CD2 3.59Å; C528-H548 PolarHBondContact SG-NE2 3.21Å
529	A	80.4	Confident	76.1	Confident	105 Å²	105	72.8 Å²	72.8	87%	0.868	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-35.9	177.2	0	0	0	0	0	112.6
530	E	82.1	Confident	76.5	Confident	124 Å²	124	73.3 Å²	73.3	58%	0.579	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-22.8	-170.8	-61.7	171.3	-98	0	0	114.3	C528 H548	C528-E530 VanDerWaalsContact C-N 3.27Å; C528-E530 PolarHBondContact O-N 2.96Å; E530-H548 WeakPolarHBondContact OE1-CB 3.32Å; E530-H548 IonicContact OE1-CD2 2.83Å; E530-H548 IonicContact OE1-CG 3.27Å; E530-H548 VanDerWaalsContact OE2-CB 3.31Å; E530-H548 WeakPolarHBondContact OE2-CB 3.48Å; E530-H548 IonicContact OE2-CG 3.69Å
531	C	82.6	Confident	76.9	Confident	50 Å²	50	70.6 Å²	70.6	34%	0.338	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.4	15.3	179.2	68.3	0	0	0	0	115.2	K533 H544 H548	C531-K533 PolarHBondContact O-N 2.87Å; C531-H544 PolarHBondContact SG-NE2 2.85Å; C531-H548 WeakPolarHBondContact CB-CE1 3.32Å; C531-H548 PolarHBondContact SG-CE1 2.78Å; C531-H548 PolarHBondContact SG-NE2 2.82Å
532	G	78.4	Confident	77.5	Confident	52 Å²	52	69.7 Å²	69.7	54%	0.536	39%	0.393	S	S	.	.			trans	66	-6.2	177.9	0	0	0	0	0	116.2	C528 A534	C528-G532 VanDerWaalsContact O-CA 3.24Å; C528-G532 WeakPolarHBondContact O-CA 3.5Å; C528-G532 PolarHBondContact O-N 2.61Å; G532-A534 PolarHBondContact O-N 3.08Å
533	K	77.1	Confident	78.3	Confident	125 Å²	125	72.2 Å²	72.2	54%	0.543	39%	0.391	S	S	.	.			trans	-63.7	125.8	-177.3	-71.1	179.1	-174.8	168.8	0	110.5	C528 C531 F535	C528-K533 WeakPolarHBondContact CB-O 3.37Å; C528-K533 PolarHBondContact N-O 3.17Å; C531-K533 PolarHBondContact O-N 2.87Å; K533-F535 HydrophobicContact CB-CE2 3.7Å; K533-F535 HydrophobicContact CB-CZ 4.17Å; K533-F535 WeakPolarHBondContact O-CD2 3.44Å; K533-F535 WeakPolarHBondContact O-CE2 3.5Å
534	A	78	Confident	79.2	Confident	31 Å²	31	67.9 Å²	67.9	26%	0.256	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.7	-171.3	0	0	0	0	0	111.8	K524 Y526 I527 G532	K524-A534 HydrophobicContact CB-CB 3.71Å; K524-A534 HydrophobicContact CD-CB 3.83Å; K524-A534 WeakPolarHBondContact CD-O 3.45Å; K524-A534 HydrophobicContact CG-CB 4.32Å; Y526-A534 CarbonylContact O-C 3.58Å; Y526-A534 WeakPolarHBondContact O-CA 3.38Å; I527-A534 HydrophobicContact CB-CB 4.34Å; I527-A534 HydrophobicContact CG1-CB 3.87Å; I527-A534 HydrophobicContact CG2-CB 4.3Å; G532-A534 PolarHBondContact O-N 3.08Å
535	F	78.1	Confident	79.9	Confident	52 Å²	52	65.5 Å²	65.5	23%	0.228	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.7	-165.9	-62.1	-103.3	0	0	0	111.3	K524 S525 Y526 K533 N540 F541 H544	K524-F535 CarbonylContact C-O 3.6Å; K524-F535 VanDerWaalsContact CA-O 3.28Å; K524-F535 WeakPolarHBondContact CA-O 3.37Å; S525-F535 PolarHBondContact N-O 2.84Å; Y526-F535 PolarHBondContact N-O 3.27Å; Y526-F535 PolarHBondContact O-N 3.12Å; K533-F535 HydrophobicContact CB-CE2 3.7Å; K533-F535 HydrophobicContact CB-CZ 4.17Å; K533-F535 WeakPolarHBondContact O-CD2 3.44Å; K533-F535 WeakPolarHBondContact O-CE2 3.5Å; F535-N540 HydrophobicContact CD1-CB 4.36Å; F535-F541 HydrophobicContact CB-CB 4.16Å; F535-F541 HydrophobicContact CD2-CB 4.47Å; F535-F541 AromaticContact CD2-CD2 3.79Å; F535-F541 HydrophobicContact CD2-CD2 3.79Å; F535-F541 HydrophobicContact CE2-CD2 4.34Å; F535-F541 HydrophobicContact CG-CB 4.31Å; F535-F541 HydrophobicContact CG-CD2 4.44Å; F535-H544 HydrophobicContact CE1-CB 4.05Å; F535-H544 HydrophobicContact CE2-CB 4.09Å; F535-H544 AromaticContact CE2-CD2 3.19Å; F535-H544 WeakPolarHBondContact CE2-CD2 3.27Å; F535-H544 AromaticContact CE2-CG 3.76Å; F535-H544 AromaticContact CE2-NE2 3.96Å; F535-H544 HydrophobicContact CZ-CB 3.56Å; F535-H544 AromaticContact CZ-CD2 3.37Å; F535-H544 WeakPolarHBondContact CZ-CD2 3.38Å; F535-H544 AromaticContact CZ-CG 3.41Å; F535-H544 VanDerWaalsContact CZ-CG 3.41Å
536	T	74.8	Confident	80.3	Confident	41 Å²	41	64.3 Å²	64.3	25%	0.252	35%	0.352	S	S	.	.	S	Bend	trans	-84.3	-15.9	177.8	50.9	0	0	0	0	113.8	K518 K524	K518-T536 HydrophobicContact CB-CG2 4.23Å; K518-T536 WeakPolarHBondContact O-CG2 3.25Å; K524-T536 HydrophobicContact CG-CG2 4.12Å
537	D	76.4	Confident	80.5	Confident	39 Å²	39	66.1 Å²	66.1	21%	0.209	37%	0.365	C	S	.	.			trans	-131.1	140.9	-177.6	171.1	47.7	0	0	0	112.3	Y526 S539 N540 F541	Y526-D537 VanDerWaalsContact CD2-C 3.43Å; D537-S539 PolarHBondContact OD1-N 3.23Å; D537-S539 PolarHBondContact OD1-OG 3.17Å; D537-S539 WeakPolarHBondContact OD2-CA 3.44Å; D537-S539 WeakPolarHBondContact OD2-CB 3.3Å; D537-S539 PolarHBondContact OD2-N 3.14Å; D537-S539 VanDerWaalsContact OD2-N 3.08Å; D537-S539 PolarHBondContact OD2-OG 2.76Å; D537-N540 PolarHBondContact OD2-N 3.18Å; D537-N540 VanDerWaalsContact OD2-N 3.09Å; D537-F541 WeakPolarHBondContact O-CB 3.24Å; D537-F541 PolarHBondContact O-N 3.44Å
538	R	78.3	Confident	80.7	Confident	114 Å²	114	64 Å²	64	43%	0.43	35%	0.352	S	S	.	.	H	α-helix	trans	-68.3	-37.4	179.3	-177.9	60.2	160.8	142.2	-12.5	111.4	Y526 N540 F541 N542	Y526-R538 HydrophobicContact CD1-CB 4.4Å; Y526-R538 HydrophobicContact CD2-CB 4.41Å; Y526-R538 HydrophobicContact CE1-CB 3.98Å; Y526-R538 HydrophobicContact CE1-CG 4.4Å; Y526-R538 HydrophobicContact CE2-CB 3.99Å; Y526-R538 VanDerWaalsContact CE2-N 3.3Å; R538-N540 VanDerWaalsContact C-N 3.35Å; R538-N540 PolarHBondContact O-N 3.32Å; R538-F541 WeakPolarHBondContact O-CB 3.48Å; R538-F541 PolarHBondContact O-N 2.84Å; R538-N542 VanDerWaalsContact CD-OD1 3.25Å; R538-N542 WeakPolarHBondContact CD-OD1 3.48Å; R538-N542 VanDerWaalsContact CZ-OD1 3.31Å; R538-N542 PolarHBondContact NE-OD1 3.32Å; R538-N542 PolarHBondContact NH1-OD1 2.86Å; R538-N542 PolarHBondContact O-N 2.92Å; R538-N542 PolarHBondContact O-OD1 2.63Å
539	S	79.1	Confident	80.5	Confident	64 Å²	64	67.7 Å²	67.7	45%	0.448	38%	0.375	S	S	.	.	H	α-helix	trans	-63.3	-42.5	180	-17.1	0	0	0	0	111.5	D537 K543	D537-S539 PolarHBondContact OD1-N 3.23Å; D537-S539 PolarHBondContact OD1-OG 3.17Å; D537-S539 WeakPolarHBondContact OD2-CA 3.44Å; D537-S539 WeakPolarHBondContact OD2-CB 3.3Å; D537-S539 PolarHBondContact OD2-N 3.14Å; D537-S539 VanDerWaalsContact OD2-N 3.08Å; D537-S539 PolarHBondContact OD2-OG 2.76Å; S539-K543 VanDerWaalsContact O-CG 3.32Å; S539-K543 WeakPolarHBondContact O-CG 2.99Å; S539-K543 PolarHBondContact O-N 3.08Å
540	N	82	Confident	80.4	Confident	77 Å²	77	64.7 Å²	64.7	41%	0.412	35%	0.354	S	S	.	.	H	α-helix	trans	-74.3	-31.7	176.6	-67.3	-25.5	0	0	0	112.8	F535 D537 R538 K543 H544	F535-N540 HydrophobicContact CD1-CB 4.36Å; D537-N540 PolarHBondContact OD2-N 3.18Å; D537-N540 VanDerWaalsContact OD2-N 3.09Å; R538-N540 VanDerWaalsContact C-N 3.35Å; R538-N540 PolarHBondContact O-N 3.32Å; N540-K543 PolarHBondContact OD1-NZ 3.15Å; N540-H544 PolarHBondContact O-N 3.26Å
541	F	83.6	Confident	80.3	Confident	18 Å²	18	64.2 Å²	64.2	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-62.6	-45.6	169.5	178.2	-107.4	0	0	0	112.2	Y526 I527 C528 F535 D537 R538 K543 H544 Q545	Y526-F541 HydrophobicContact CG-CB 4.42Å; I527-F541 VanDerWaalsContact C-CE2 3.5Å; I527-F541 WeakPolarHBondContact O-CE2 3.2Å; C528-F541 HydrophobicContact CB-CE2 3.9Å; F535-F541 HydrophobicContact CB-CB 4.16Å; F535-F541 HydrophobicContact CD2-CB 4.47Å; F535-F541 AromaticContact CD2-CD2 3.79Å; F535-F541 HydrophobicContact CD2-CD2 3.79Å; F535-F541 HydrophobicContact CE2-CD2 4.34Å; F535-F541 HydrophobicContact CG-CB 4.31Å; F535-F541 HydrophobicContact CG-CD2 4.44Å; D537-F541 WeakPolarHBondContact O-CB 3.24Å; D537-F541 PolarHBondContact O-N 3.44Å; R538-F541 WeakPolarHBondContact O-CB 3.48Å; R538-F541 PolarHBondContact O-N 2.84Å; F541-K543 PolarHBondContact O-N 3.16Å; F541-H544 CarbonylContact O-C 3.28Å; F541-H544 WeakPolarHBondContact O-CA 3.26Å; F541-H544 WeakPolarHBondContact O-CB 3.32Å; F541-H544 PolarHBondContact O-N 3.19Å; F541-Q545 HydrophobicContact CD1-CG 4.29Å; F541-Q545 VanDerWaalsContact CE1-CD 3.46Å; F541-Q545 HydrophobicContact CE1-CG 3.88Å; F541-Q545 HydrophobicContact CE2-CG 4.38Å; F541-Q545 HydrophobicContact CZ-CG 3.93Å; F541-Q545 PolarHBondContact O-N 3.16Å
542	N	83.1	Confident	80.4	Confident	70 Å²	70	67 Å²	67	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-61.5	-44.2	178.8	-67	11.4	0	0	0	111.9	R538 H544 Q545 T546	R538-N542 VanDerWaalsContact CD-OD1 3.25Å; R538-N542 WeakPolarHBondContact CD-OD1 3.48Å; R538-N542 VanDerWaalsContact CZ-OD1 3.31Å; R538-N542 PolarHBondContact NE-OD1 3.32Å; R538-N542 PolarHBondContact NH1-OD1 2.86Å; R538-N542 PolarHBondContact O-N 2.92Å; R538-N542 PolarHBondContact O-OD1 2.63Å; N542-H544 PolarHBondContact O-N 3.49Å; N542-Q545 PolarHBondContact O-N 3.38Å; N542-Q545 VanDerWaalsContact O-N 3.11Å; N542-T546 PolarHBondContact O-N 3.34Å
543	K	83.1	Confident	80.8	Confident	95 Å²	95	68.7 Å²	68.7	41%	0.413	36%	0.36	S	S	.	.	H	α-helix	trans	-62.4	-18.1	173	-65.5	169.3	-161.6	163.4	0	113.9	S539 N540 F541 T546	S539-K543 VanDerWaalsContact O-CG 3.32Å; S539-K543 WeakPolarHBondContact O-CG 2.99Å; S539-K543 PolarHBondContact O-N 3.08Å; N540-K543 PolarHBondContact OD1-NZ 3.15Å; F541-K543 PolarHBondContact O-N 3.16Å; K543-T546 PolarHBondContact O-OG1 3.07Å
544	H	85.5	Confident	81.3	Confident	14 Å²	14	67 Å²	67	7%	0.065	35%	0.351	C	S	.	.	H	α-helix	trans	-87.7	-37.3	172.8	169.7	46.6	0	0	0	111.6	C531 F535 N540 F541 N542 T546 I547 H548	C531-H544 PolarHBondContact SG-NE2 2.85Å; F535-H544 HydrophobicContact CE1-CB 4.05Å; F535-H544 HydrophobicContact CE2-CB 4.09Å; F535-H544 AromaticContact CE2-CD2 3.19Å; F535-H544 WeakPolarHBondContact CE2-CD2 3.27Å; F535-H544 AromaticContact CE2-CG 3.76Å; F535-H544 AromaticContact CE2-NE2 3.96Å; F535-H544 HydrophobicContact CZ-CB 3.56Å; F535-H544 AromaticContact CZ-CD2 3.37Å; F535-H544 WeakPolarHBondContact CZ-CD2 3.38Å; F535-H544 AromaticContact CZ-CG 3.41Å; F535-H544 VanDerWaalsContact CZ-CG 3.41Å; N540-H544 PolarHBondContact O-N 3.26Å; F541-H544 CarbonylContact O-C 3.28Å; F541-H544 WeakPolarHBondContact O-CA 3.26Å; F541-H544 WeakPolarHBondContact O-CB 3.32Å; F541-H544 PolarHBondContact O-N 3.19Å; N542-H544 PolarHBondContact O-N 3.49Å; H544-T546 PolarHBondContact O-N 3.41Å; H544-I547 VanDerWaalsContact O-CB 3.26Å; H544-I547 WeakPolarHBondContact O-CB 3.19Å; H544-I547 PolarHBondContact O-N 3.3Å; H544-H548 AromaticContact CD2-NE2 3.51Å; H544-H548 AromaticContact CE1-CD2 3.87Å; H544-H548 AromaticContact CE1-NE2 2.67Å; H544-H548 PolarHBondContact CE1-NE2 3.31Å; H544-H548 AromaticContact ND1-NE2 3.75Å; H544-H548 AromaticContact NE2-NE2 2.46Å; H544-H548 PolarHBondContact NE2-NE2 3.42Å
545	Q	81.7	Confident	81.9	Confident	69 Å²	69	69.7 Å²	69.7	32%	0.322	36%	0.364	S	S	.	.	H	α-helix	trans	-58	-36.9	173.8	-64.3	-165.5	-97.9	0	0	112	F541 N542 I547 H548 T549	F541-Q545 HydrophobicContact CD1-CG 4.29Å; F541-Q545 VanDerWaalsContact CE1-CD 3.46Å; F541-Q545 HydrophobicContact CE1-CG 3.88Å; F541-Q545 HydrophobicContact CE2-CG 4.38Å; F541-Q545 HydrophobicContact CZ-CG 3.93Å; F541-Q545 PolarHBondContact O-N 3.16Å; N542-Q545 PolarHBondContact O-N 3.38Å; N542-Q545 VanDerWaalsContact O-N 3.11Å; Q545-I547 PolarHBondContact O-N 2.99Å; Q545-I547 VanDerWaalsContact O-N 3.11Å; Q545-H548 PolarHBondContact O-N 2.93Å; Q545-T549 PolarHBondContact O-N 3.19Å; Q545-T549 VanDerWaalsContact O-N 3.09Å
546	T	82.6	Confident	82.5	Confident	31 Å²	31	67.2 Å²	67.2	19%	0.19	35%	0.353	C	S	.	.	H	α-helix	trans	-66	-8.2	174.5	51.3	0	0	0	0	114.7	N542 K543 H544 T549 I564	N542-T546 PolarHBondContact O-N 3.34Å; K543-T546 PolarHBondContact O-OG1 3.07Å; H544-T546 PolarHBondContact O-N 3.41Å; T546-T549 WeakPolarHBondContact CA-OG1 3.49Å; T546-I564 VanDerWaalsContact OG1-CG2 3.27Å; T546-I564 WeakPolarHBondContact OG1-CG2 3.45Å
547	I	82.7	Confident	83.2	Confident	100 Å²	100	69.9 Å²	69.9	51%	0.513	38%	0.379	S	S	.	.	H	α-helix	trans	-79.4	-33.6	169.3	-54.6	177.3	0	0	0	110.4	H544 Q545 I564	H544-I547 VanDerWaalsContact O-CB 3.26Å; H544-I547 WeakPolarHBondContact O-CB 3.19Å; H544-I547 PolarHBondContact O-N 3.3Å; Q545-I547 PolarHBondContact O-N 2.99Å; Q545-I547 VanDerWaalsContact O-N 3.11Å; I547-I564 HydrophobicContact CG1-CD1 4.08Å
548	H	81.3	Confident	83.7	Confident	69 Å²	69	72.6 Å²	72.6	32%	0.319	39%	0.394	S	S	.	.	H	α-helix	trans	-83.1	-42.8	-179.9	-61.4	-64	0	0	0	112.6	C528 E530 C531 H544 Q545 G550	C528-H548 VanDerWaalsContact SG-CD2 3.59Å; C528-H548 PolarHBondContact SG-NE2 3.21Å; E530-H548 WeakPolarHBondContact OE1-CB 3.32Å; E530-H548 IonicContact OE1-CD2 2.83Å; E530-H548 IonicContact OE1-CG 3.27Å; E530-H548 VanDerWaalsContact OE2-CB 3.31Å; E530-H548 WeakPolarHBondContact OE2-CB 3.48Å; E530-H548 IonicContact OE2-CG 3.69Å; C531-H548 WeakPolarHBondContact CB-CE1 3.32Å; C531-H548 PolarHBondContact SG-CE1 2.78Å; C531-H548 PolarHBondContact SG-NE2 2.82Å; H544-H548 AromaticContact CD2-NE2 3.51Å; H544-H548 AromaticContact CE1-CD2 3.87Å; H544-H548 AromaticContact CE1-NE2 2.67Å; H544-H548 PolarHBondContact CE1-NE2 3.31Å; H544-H548 AromaticContact ND1-NE2 3.75Å; H544-H548 AromaticContact NE2-NE2 2.46Å; H544-H548 PolarHBondContact NE2-NE2 3.42Å; Q545-H548 PolarHBondContact O-N 2.93Å; H548-G550 PolarHBondContact O-N 2.91Å; H548-G550 VanDerWaalsContact O-N 3.11Å
549	T	80.1	Confident	84.2	Confident	82 Å²	82	69.8 Å²	69.8	50%	0.503	39%	0.391	S	S	.	.	S	Bend	trans	-66	-12.5	174.6	64.9	0	0	0	0	113	Q545 T546 E551	Q545-T549 PolarHBondContact O-N 3.19Å; Q545-T549 VanDerWaalsContact O-N 3.09Å; T546-T549 WeakPolarHBondContact CA-OG1 3.49Å; T549-E551 PolarHBondContact O-N 2.89Å; T549-E551 VanDerWaalsContact O-N 3.09Å; T549-E551 WeakPolarHBondContact OG1-CB 3.49Å; T549-E551 WeakPolarHBondContact OG1-CG 3.44Å; T549-E551 PolarHBondContact OG1-N 3.31Å; T549-E551 PolarHBondContact OG1-OE2 3.17Å
550	G	78.1	Confident	84.4	Confident	42 Å²	42	69.2 Å²	69.2	43%	0.433	40%	0.395	S	S	.	.			trans	69	-1.3	-175.7	0	0	0	0	0	114.2	H548 K552	H548-G550 PolarHBondContact O-N 2.91Å; H548-G550 VanDerWaalsContact O-N 3.11Å; G550-K552 PolarHBondContact O-N 3.32Å
551	E	80.1	Confident	84.7	Confident	113 Å²	113	73.3 Å²	73.3	53%	0.528	41%	0.405	S	S	.	.			trans	-61.2	127.1	-177	-71.4	172.6	133.7	0	0	111.2	T549	T549-E551 PolarHBondContact O-N 2.89Å; T549-E551 VanDerWaalsContact O-N 3.09Å; T549-E551 WeakPolarHBondContact OG1-CB 3.49Å; T549-E551 WeakPolarHBondContact OG1-CG 3.44Å; T549-E551 PolarHBondContact OG1-N 3.31Å; T549-E551 PolarHBondContact OG1-OE2 3.17Å
552	K	84.4	Confident	84.9	Confident	109 Å²	109	74.3 Å²	74.3	47%	0.474	42%	0.417	S	S	.	.			trans	-126.9	77.4	-179.7	-72.5	159.5	-176.1	172	0	109.6	G550 Y554 A562 F563 I564	G550-K552 PolarHBondContact O-N 3.32Å; K552-Y554 PolarHBondContact O-N 3Å; K552-A562 HydrophobicContact CB-CB 3.49Å; K552-A562 VanDerWaalsContact CB-CB 3.49Å; K552-A562 HydrophobicContact CD-CB 4.16Å; K552-A562 HydrophobicContact CG-CB 4.41Å; K552-F563 CarbonylContact C-O 3.54Å; K552-F563 WeakPolarHBondContact CA-O 3.44Å; K552-F563 WeakPolarHBondContact CB-O 3.36Å; K552-I564 HydrophobicContact CG-CG1 3.77Å
553	P	85.9	Confident	85.1	Confident	87 Å²	87	72.9 Å²	72.9	57%	0.565	41%	0.407	S	S	*	.			trans	-66.6	-9	-171.3	-21.3	34.5	0	0	0	114.7
554	Y	89.3	Confident	85.1	Confident	91 Å²	91	70.1 Å²	70.1	36%	0.357	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	85.6	-171.9	-55.7	-69.1	0	0	0	110.5	K552 F563 I564 K566	K552-Y554 PolarHBondContact O-N 3Å; Y554-F563 PolarHBondContact N-O 2.72Å; Y554-F563 PolarHBondContact O-N 3.16Å; Y554-I564 WeakPolarHBondContact CD2-O 3.4Å; Y554-I564 WeakPolarHBondContact CE2-O 3.44Å; Y554-K566 HydrophobicContact CD1-CB 3.82Å; Y554-K566 HydrophobicContact CD1-CG 4.26Å; Y554-K566 HydrophobicContact CD2-CB 4.47Å; Y554-K566 VanDerWaalsContact CD2-N 3.25Å; Y554-K566 HydrophobicContact CE1-CB 3.73Å; Y554-K566 HydrophobicContact CE1-CG 4.34Å; Y554-K566 HydrophobicContact CE2-CB 4.36Å; Y554-K566 HydrophobicContact CG-CB 4.2Å
555	V	88.6	Confident	85.1	Confident	86 Å²	86	72.7 Å²	72.7	52%	0.521	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	135.2	177.5	-173.2	0	0	0	0	110.7	A562	V555-A562 HydrophobicContact CG2-CB 4.06Å
556	C	91.5	Very high	85.3	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	42%	0.42	C	S	.	.			trans	-79.5	120.8	168.3	170.5	0	0	0	0	109.6	D558 C559 G560 R561 F563 L569	C556-D558 PolarHBondContact O-N 3.4Å; C556-D558 PolarHBondContact SG-N 3.22Å; C556-D558 PolarHBondContact SG-OD2 2.96Å; C556-C559 VanDerWaalsContact SG-SG 3.66Å; C556-G560 VanDerWaalsContact O-CA 3.24Å; C556-G560 WeakPolarHBondContact O-CA 3.39Å; C556-G560 PolarHBondContact O-N 3.23Å; C556-R561 WeakPolarHBondContact CB-O 3.45Å; C556-R561 PolarHBondContact N-O 3.16Å; C556-F563 HydrophobicContact CB-CE2 4.39Å; C556-L569 HydrophobicContact CB-CD1 3.55Å
557	A	89.3	Confident	85.4	Confident	98 Å²	98	77.3 Å²	77.3	81%	0.81	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-35.7	177	0	0	0	0	0	111.9	C559	A557-C559 PolarHBondContact O-N 3.11Å
558	D	87.1	Confident	85.6	Confident	95 Å²	95	75.4 Å²	75.4	51%	0.508	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-22.8	-168.9	-32.5	-77.7	0	0	0	113.6	C556 H576	C556-D558 PolarHBondContact O-N 3.4Å; C556-D558 PolarHBondContact SG-N 3.22Å; C556-D558 PolarHBondContact SG-OD2 2.96Å; D558-H576 HydrophobicContact CB-CB 4.39Å; D558-H576 IonicContact OD2-CD2 3.89Å
559	C	88.4	Confident	85.9	Confident	55 Å²	55	73 Å²	73	37%	0.372	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150	15.3	179.6	74.3	0	0	0	0	115.4	C556 A557 R561 H572 H576	C556-C559 VanDerWaalsContact SG-SG 3.66Å; A557-C559 PolarHBondContact O-N 3.11Å; C559-R561 PolarHBondContact O-N 2.56Å; C559-H572 PolarHBondContact SG-NE2 2.94Å; C559-H576 WeakPolarHBondContact CB-NE2 3.46Å; C559-H576 PolarHBondContact SG-NE2 3.23Å
560	G	84.8	Confident	86.2	Confident	53 Å²	53	72.7 Å²	72.7	55%	0.546	41%	0.406	S	S	.	.			trans	67.5	-2.9	178.1	0	0	0	0	0	116.2	C556 A562	C556-G560 VanDerWaalsContact O-CA 3.24Å; C556-G560 WeakPolarHBondContact O-CA 3.39Å; C556-G560 PolarHBondContact O-N 3.23Å; G560-A562 PolarHBondContact O-N 3.26Å
561	R	87.9	Confident	86.5	Confident	162 Å²	162	72.7 Å²	72.7	61%	0.611	40%	0.398	S	S	*	.			trans	-68.1	125.3	-176.9	-80.9	-173.2	160.6	-171.2	-2.9	112.2	C556 C559 F563	C556-R561 WeakPolarHBondContact CB-O 3.45Å; C556-R561 PolarHBondContact N-O 3.16Å; C559-R561 PolarHBondContact O-N 2.56Å; R561-F563 HydrophobicContact CB-CE2 3.72Å; R561-F563 HydrophobicContact CB-CZ 4Å; R561-F563 WeakPolarHBondContact O-CD2 3.27Å; R561-F563 VanDerWaalsContact O-CE2 3.25Å; R561-F563 WeakPolarHBondContact O-CE2 3.39Å
562	A	88.5	Confident	86.8	Confident	40 Å²	40	68 Å²	68	33%	0.331	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	139.4	178.8	0	0	0	0	0	112.5	K552 V555 G560	K552-A562 HydrophobicContact CB-CB 3.49Å; K552-A562 VanDerWaalsContact CB-CB 3.49Å; K552-A562 HydrophobicContact CD-CB 4.16Å; K552-A562 HydrophobicContact CG-CB 4.41Å; V555-A562 HydrophobicContact CG2-CB 4.06Å; G560-A562 PolarHBondContact O-N 3.26Å
563	F	86	Confident	86.9	Confident	40 Å²	40	66 Å²	66	18%	0.175	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	154.1	-177.8	-63.3	-88.5	0	0	0	112.3	K552 Y554 C556 R561 E568 L569 H572	K552-F563 CarbonylContact C-O 3.54Å; K552-F563 WeakPolarHBondContact CA-O 3.44Å; K552-F563 WeakPolarHBondContact CB-O 3.36Å; Y554-F563 PolarHBondContact N-O 2.72Å; Y554-F563 PolarHBondContact O-N 3.16Å; C556-F563 HydrophobicContact CB-CE2 4.39Å; R561-F563 HydrophobicContact CB-CE2 3.72Å; R561-F563 HydrophobicContact CB-CZ 4Å; R561-F563 WeakPolarHBondContact O-CD2 3.27Å; R561-F563 VanDerWaalsContact O-CE2 3.25Å; R561-F563 WeakPolarHBondContact O-CE2 3.39Å; F563-E568 HydrophobicContact CB-CB 4.03Å; F563-E568 HydrophobicContact CD1-CB 3.76Å; F563-E568 HydrophobicContact CG-CB 4.16Å; F563-L569 HydrophobicContact CB-CB 4.3Å; F563-L569 HydrophobicContact CD2-CB 4.04Å; F563-L569 HydrophobicContact CD2-CD1 4.01Å; F563-L569 HydrophobicContact CE2-CD1 4.29Å; F563-L569 HydrophobicContact CG-CB 4.31Å; F563-H572 HydrophobicContact CE1-CB 4.08Å; F563-H572 HydrophobicContact CE2-CB 4Å; F563-H572 AromaticContact CE2-CD2 3.16Å; F563-H572 WeakPolarHBondContact CE2-CD2 3.23Å; F563-H572 AromaticContact CE2-CG 3.7Å; F563-H572 AromaticContact CE2-NE2 3.88Å; F563-H572 HydrophobicContact CZ-CB 3.58Å; F563-H572 AromaticContact CZ-CD2 3.23Å; F563-H572 WeakPolarHBondContact CZ-CD2 3.26Å; F563-H572 AromaticContact CZ-CG 3.31Å; F563-H572 AromaticContact CZ-NE2 3.83Å
564	I	83.7	Confident	86.8	Confident	37 Å²	37	64.1 Å²	64.1	19%	0.19	35%	0.35	C	S	.	.	S	Bend	trans	-80.5	-30.3	-179.2	-57.2	179.7	0	0	0	110	T546 I547 K552 Y554 E568	T546-I564 VanDerWaalsContact OG1-CG2 3.27Å; T546-I564 WeakPolarHBondContact OG1-CG2 3.45Å; I547-I564 HydrophobicContact CG1-CD1 4.08Å; K552-I564 HydrophobicContact CG-CG1 3.77Å; Y554-I564 WeakPolarHBondContact CD2-O 3.4Å; Y554-I564 WeakPolarHBondContact CE2-O 3.44Å; I564-E568 PolarHBondContact N-OE2 3.29Å; I564-E568 VanDerWaalsContact N-OE2 3.13Å
565	Q	84.8	Confident	86.5	Confident	68 Å²	68	65 Å²	65	32%	0.318	36%	0.36	S	S	.	.	S	Bend	trans	-125.3	140.4	179.9	-52.7	179.9	60	0	0	112.8	S567 E568 L569	Q565-S567 WeakPolarHBondContact CB-OG 3.49Å; Q565-S567 PolarHBondContact O-N 3.45Å; Q565-S567 VanDerWaalsContact O-N 3.15Å; Q565-E568 HydrophobicContact CB-CG 3.99Å; Q565-E568 WeakPolarHBondContact CG-OE1 3.29Å; Q565-E568 PolarHBondContact N-OE2 2.91Å; Q565-E568 PolarHBondContact NE2-OE1 3.36Å; Q565-E568 WeakPolarHBondContact O-CB 3.21Å; Q565-E568 PolarHBondContact O-N 2.86Å; Q565-L569 PolarHBondContact O-N 3.43Å
566	K	85.6	Confident	86.3	Confident	130 Å²	130	65.3 Å²	65.3	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-56.4	-32.2	174.9	-171	173.9	179.6	175.1	0	112.9	Y554 L569 I570	Y554-K566 HydrophobicContact CD1-CB 3.82Å; Y554-K566 HydrophobicContact CD1-CG 4.26Å; Y554-K566 HydrophobicContact CD2-CB 4.47Å; Y554-K566 VanDerWaalsContact CD2-N 3.25Å; Y554-K566 HydrophobicContact CE1-CB 3.73Å; Y554-K566 HydrophobicContact CE1-CG 4.34Å; Y554-K566 HydrophobicContact CE2-CB 4.36Å; Y554-K566 HydrophobicContact CG-CB 4.2Å; K566-L569 PolarHBondContact O-N 2.81Å; K566-I570 HydrophobicContact CG-CD1 4Å; K566-I570 HydrophobicContact CG-CG1 4.49Å; K566-I570 VanDerWaalsContact O-CG1 3.29Å; K566-I570 WeakPolarHBondContact O-CG1 3.27Å; K566-I570 PolarHBondContact O-N 2.86Å
567	S	84.4	Confident	85.6	Confident	67 Å²	67	68.8 Å²	68.8	47%	0.469	38%	0.377	S	S	.	.	H	α-helix	trans	-63.8	-37.7	174	41.6	0	0	0	0	112.9	Q565 T571	Q565-S567 WeakPolarHBondContact CB-OG 3.49Å; Q565-S567 PolarHBondContact O-N 3.45Å; Q565-S567 VanDerWaalsContact O-N 3.15Å; S567-T571 WeakPolarHBondContact O-CG2 3.35Å; S567-T571 PolarHBondContact O-N 2.98Å; S567-T571 VanDerWaalsContact O-N 3.09Å; S567-T571 PolarHBondContact O-OG1 3.21Å
568	E	86.9	Confident	84.8	Confident	60 Å²	60	69 Å²	69	28%	0.28	37%	0.368	S	S	.	.	H	α-helix	trans	-65.8	-50.3	176.1	-64.4	158.2	-178.7	0	0	109.6	F563 I564 Q565 I570 T571 H572	F563-E568 HydrophobicContact CB-CB 4.03Å; F563-E568 HydrophobicContact CD1-CB 3.76Å; F563-E568 HydrophobicContact CG-CB 4.16Å; I564-E568 PolarHBondContact N-OE2 3.29Å; I564-E568 VanDerWaalsContact N-OE2 3.13Å; Q565-E568 HydrophobicContact CB-CG 3.99Å; Q565-E568 WeakPolarHBondContact CG-OE1 3.29Å; Q565-E568 PolarHBondContact N-OE2 2.91Å; Q565-E568 PolarHBondContact NE2-OE1 3.36Å; Q565-E568 WeakPolarHBondContact O-CB 3.21Å; Q565-E568 PolarHBondContact O-N 2.86Å; E568-I570 PolarHBondContact O-N 3.49Å; E568-T571 CarbonylContact O-C 3.54Å; E568-T571 PolarHBondContact O-N 3.22Å; E568-T571 VanDerWaalsContact O-N 3.09Å; E568-T571 PolarHBondContact O-OG1 2.86Å; E568-H572 PolarHBondContact O-N 3.43Å
569	L	89.3	Confident	84.4	Confident	19 Å²	19	69.4 Å²	69.4	10%	0.099	37%	0.367	C	S	.	.	H	α-helix	trans	-52.8	-51.1	174.5	172.7	60.4	0	0	0	111.9	C556 F563 Q565 K566 T571 H572 Q573	C556-L569 HydrophobicContact CB-CD1 3.55Å; F563-L569 HydrophobicContact CB-CB 4.3Å; F563-L569 HydrophobicContact CD2-CB 4.04Å; F563-L569 HydrophobicContact CD2-CD1 4.01Å; F563-L569 HydrophobicContact CE2-CD1 4.29Å; F563-L569 HydrophobicContact CG-CB 4.31Å; Q565-L569 PolarHBondContact O-N 3.43Å; K566-L569 PolarHBondContact O-N 2.81Å; L569-T571 VanDerWaalsContact C-N 3.29Å; L569-T571 PolarHBondContact O-N 2.96Å; L569-H572 CarbonylContact O-C 3.43Å; L569-H572 WeakPolarHBondContact O-CA 3.26Å; L569-H572 WeakPolarHBondContact O-CB 3.28Å; L569-H572 PolarHBondContact O-N 3.28Å; L569-Q573 HydrophobicContact CD1-CG 3.92Å; L569-Q573 HydrophobicContact CG-CG 4.43Å; L569-Q573 WeakPolarHBondContact O-CG 3.37Å; L569-Q573 PolarHBondContact O-N 3.26Å
570	I	85.8	Confident	84.1	Confident	74 Å²	74	72.7 Å²	72.7	38%	0.379	38%	0.375	S	S	.	.	H	α-helix	trans	-60.1	-38.6	178.5	-69.3	165.2	0	0	0	111.5	K566 E568 H572	K566-I570 HydrophobicContact CG-CD1 4Å; K566-I570 HydrophobicContact CG-CG1 4.49Å; K566-I570 VanDerWaalsContact O-CG1 3.29Å; K566-I570 WeakPolarHBondContact O-CG1 3.27Å; K566-I570 PolarHBondContact O-N 2.86Å; E568-I570 PolarHBondContact O-N 3.49Å; I570-H572 VanDerWaalsContact C-N 3.27Å; I570-H572 PolarHBondContact O-N 3.2Å
571	T	84.8	Confident	84.1	Confident	42 Å²	42	73.3 Å²	73.3	26%	0.258	37%	0.37	S	S	.	.	H	α-helix	trans	-74.8	-15.9	175.1	65	0	0	0	0	114.2	S567 E568 L569	S567-T571 WeakPolarHBondContact O-CG2 3.35Å; S567-T571 PolarHBondContact O-N 2.98Å; S567-T571 VanDerWaalsContact O-N 3.09Å; S567-T571 PolarHBondContact O-OG1 3.21Å; E568-T571 CarbonylContact O-C 3.54Å; E568-T571 PolarHBondContact O-N 3.22Å; E568-T571 VanDerWaalsContact O-N 3.09Å; E568-T571 PolarHBondContact O-OG1 2.86Å; L569-T571 VanDerWaalsContact C-N 3.29Å; L569-T571 PolarHBondContact O-N 2.96Å
572	H	86.9	Confident	84	Confident	15 Å²	15	69.1 Å²	69.1	7%	0.069	35%	0.354	C	S	.	.	H	α-helix	trans	-85.5	-41.3	174.6	170.5	53.1	0	0	0	112	C559 F563 E568 L569 I570 R574 I575	C559-H572 PolarHBondContact SG-NE2 2.94Å; F563-H572 HydrophobicContact CE1-CB 4.08Å; F563-H572 HydrophobicContact CE2-CB 4Å; F563-H572 AromaticContact CE2-CD2 3.16Å; F563-H572 WeakPolarHBondContact CE2-CD2 3.23Å; F563-H572 AromaticContact CE2-CG 3.7Å; F563-H572 AromaticContact CE2-NE2 3.88Å; F563-H572 HydrophobicContact CZ-CB 3.58Å; F563-H572 AromaticContact CZ-CD2 3.23Å; F563-H572 WeakPolarHBondContact CZ-CD2 3.26Å; F563-H572 AromaticContact CZ-CG 3.31Å; F563-H572 AromaticContact CZ-NE2 3.83Å; E568-H572 PolarHBondContact O-N 3.43Å; L569-H572 CarbonylContact O-C 3.43Å; L569-H572 WeakPolarHBondContact O-CA 3.26Å; L569-H572 WeakPolarHBondContact O-CB 3.28Å; L569-H572 PolarHBondContact O-N 3.28Å; I570-H572 VanDerWaalsContact C-N 3.27Å; I570-H572 PolarHBondContact O-N 3.2Å; H572-R574 PolarHBondContact O-N 3.36Å; H572-R574 VanDerWaalsContact O-N 3.12Å; H572-I575 VanDerWaalsContact O-CB 3.23Å; H572-I575 WeakPolarHBondContact O-CB 3.49Å; H572-I575 WeakPolarHBondContact O-CG1 3.32Å; H572-I575 PolarHBondContact O-N 3.49Å
573	Q	85.6	Confident	84	Confident	66 Å²	66	74.7 Å²	74.7	31%	0.308	37%	0.371	S	S	.	.	H	α-helix	trans	-58	-28.3	178	-70	179.5	-73.3	0	0	112.9	L569 I575 H576 T577	L569-Q573 HydrophobicContact CD1-CG 3.92Å; L569-Q573 HydrophobicContact CG-CG 4.43Å; L569-Q573 WeakPolarHBondContact O-CG 3.37Å; L569-Q573 PolarHBondContact O-N 3.26Å; Q573-I575 PolarHBondContact O-N 3.1Å; Q573-I575 VanDerWaalsContact O-N 3.09Å; Q573-H576 WeakPolarHBondContact O-CB 3.45Å; Q573-H576 PolarHBondContact O-N 3.37Å; Q573-T577 PolarHBondContact O-N 2.86Å
574	R	84.8	Confident	84.1	Confident	48 Å²	48	73.3 Å²	73.3	18%	0.181	37%	0.366	C	S	.	.	H	α-helix	trans	-60	-12.8	169.9	-67.8	-179	-179.1	171.8	0.6	115.3	H572 T578 E579 S592	H572-R574 PolarHBondContact O-N 3.36Å; H572-R574 VanDerWaalsContact O-N 3.12Å; R574-T578 CarbonylContact O-C 3.2Å; R574-T578 WeakPolarHBondContact O-CA 3.38Å; R574-T578 PolarHBondContact O-N 2.81Å; R574-E579 HydrophobicContact CB-CB 4.44Å; R574-E579 HydrophobicContact CG-CB 4.16Å; R574-E579 PolarHBondContact O-N 3.38Å; R574-S592 PolarHBondContact NH1-O 2.94Å
575	I	82.6	Confident	84.4	Confident	110 Å²	110	76.3 Å²	76.3	56%	0.564	39%	0.388	S	S	*	.	H	α-helix	trans	-77.8	-38	171	-62.1	172.4	0	0	0	109.6	H572 Q573	H572-I575 VanDerWaalsContact O-CB 3.23Å; H572-I575 WeakPolarHBondContact O-CB 3.49Å; H572-I575 WeakPolarHBondContact O-CG1 3.32Å; H572-I575 PolarHBondContact O-N 3.49Å; Q573-I575 PolarHBondContact O-N 3.1Å; Q573-I575 VanDerWaalsContact O-N 3.09Å
576	H	82.8	Confident	84.4	Confident	93 Å²	93	77.5 Å²	77.5	43%	0.431	40%	0.397	S	S	.	.	H	α-helix	trans	-77.8	-44.9	178.5	-52.6	-53.6	0	0	0	112.1	D558 C559 Q573 T578	D558-H576 HydrophobicContact CB-CB 4.39Å; D558-H576 IonicContact OD2-CD2 3.89Å; C559-H576 WeakPolarHBondContact CB-NE2 3.46Å; C559-H576 PolarHBondContact SG-NE2 3.23Å; Q573-H576 WeakPolarHBondContact O-CB 3.45Å; Q573-H576 PolarHBondContact O-N 3.37Å; H576-T578 PolarHBondContact O-N 3.03Å
577	T	78.6	Confident	84.6	Confident	73 Å²	73	73.2 Å²	73.2	45%	0.448	38%	0.383	S	S	.	.	S	Bend	trans	-77	-5	175.8	66	0	0	0	0	113.4	Q573 E579	Q573-T577 PolarHBondContact O-N 2.86Å; T577-E579 PolarHBondContact O-N 2.83Å; T577-E579 WeakPolarHBondContact OG1-CG 3.44Å
578	T	72.3	Confident	84.6	Confident	103 Å²	103	79 Å²	79	63%	0.632	40%	0.402	S	S	*	.			trans	56.9	3.8	-171.8	73.1	0	0	0	0	116.2	R574 H576 K580	R574-T578 CarbonylContact O-C 3.2Å; R574-T578 WeakPolarHBondContact O-CA 3.38Å; R574-T578 PolarHBondContact O-N 2.81Å; H576-T578 PolarHBondContact O-N 3.03Å; T578-K580 PolarHBondContact O-N 2.87Å
579	E	78.2	Confident	84.6	Confident	103 Å²	103	82.5 Å²	82.5	48%	0.481	42%	0.417	S	S	.	.			trans	-54.2	124.9	-176.7	-82.4	176.7	-149.1	0	0	113.3	R574 T577 P581	R574-E579 HydrophobicContact CB-CB 4.44Å; R574-E579 HydrophobicContact CG-CB 4.16Å; R574-E579 PolarHBondContact O-N 3.38Å; T577-E579 PolarHBondContact O-N 2.83Å; T577-E579 WeakPolarHBondContact OG1-CG 3.44Å; E579-P581 WeakPolarHBondContact O-CD 3.29Å
580	K	82	Confident	84.5	Confident	123 Å²	123	83.3 Å²	83.3	54%	0.535	42%	0.424	S	S	.	.			trans	-123.1	73.8	175.8	-72.6	155.1	175.6	173.3	0	110.3	T578 Y582 S590 F591	T578-K580 PolarHBondContact O-N 2.87Å; K580-Y582 PolarHBondContact O-N 3.38Å; K580-S590 WeakPolarHBondContact CD-O 3.49Å; K580-S590 WeakPolarHBondContact CG-O 3.34Å; K580-F591 CarbonylContact C-O 3.59Å; K580-F591 VanDerWaalsContact C-O 3.3Å; K580-F591 WeakPolarHBondContact CA-O 3.26Å
581	P	84.5	Confident	84.5	Confident	67 Å²	67	82 Å²	82	44%	0.435	42%	0.415	S	S	.	.			trans	-66.7	-11.3	-171.2	-22	35.2	0	0	0	114.8	E579	E579-P581 WeakPolarHBondContact O-CD 3.29Å
582	Y	86.9	Confident	84.4	Confident	74 Å²	74	81.6 Å²	81.6	29%	0.29	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	80.5	-178.5	-48.6	-65.8	0	0	0	109.5	K580 F591 S592 K593 K594	K580-Y582 PolarHBondContact O-N 3.38Å; Y582-F591 WeakPolarHBondContact CB-O 3.43Å; Y582-F591 WeakPolarHBondContact CD2-O 3.36Å; Y582-F591 PolarHBondContact N-O 2.95Å; Y582-F591 VanDerWaalsContact N-O 3.13Å; Y582-F591 PolarHBondContact O-N 3.45Å; Y582-S592 WeakPolarHBondContact CE2-O 3.47Å; Y582-K593 VanDerWaalsContact CD2-C 3.43Å; Y582-K594 HydrophobicContact CD1-CB 3.99Å; Y582-K594 HydrophobicContact CD1-CG 4.32Å; Y582-K594 HydrophobicContact CD2-CB 4.22Å; Y582-K594 HydrophobicContact CE1-CB 3.93Å; Y582-K594 HydrophobicContact CE1-CD 4.41Å; Y582-K594 HydrophobicContact CE1-CG 4.48Å; Y582-K594 HydrophobicContact CE2-CB 4.15Å; Y582-K594 VanDerWaalsContact CE2-N 3.32Å; Y582-K594 HydrophobicContact CG-CB 4.14Å
583	K	86.8	Confident	84.2	Confident	156 Å²	156	85 Å²	85	68%	0.678	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	146	170.3	-53.6	-161.6	175.5	-175	0	110.4	S590 L597	K583-S590 WeakPolarHBondContact CG-OG 3.41Å; K583-L597 WeakPolarHBondContact O-CD2 3.21Å
584	C	89.8	Confident	84.2	Confident	11 Å²	11	88.8 Å²	88.8	7%	0.074	44%	0.444	C	S	.	.			trans	-76.3	143.4	163.9	-146.5	0	0	0	0	108.9	D586 C587 K589 L597 H600	C584-D586 PolarHBondContact SG-OD2 3.17Å; C584-C587 VanDerWaalsContact CB-O 3.32Å; C584-C587 WeakPolarHBondContact CB-O 3.44Å; C584-C587 VanDerWaalsContact O-O 3.06Å; C584-K589 WeakPolarHBondContact CB-O 3.39Å; C584-K589 PolarHBondContact N-O 3.43Å; C584-L597 HydrophobicContact CB-CD1 3.81Å; C584-H600 VanDerWaalsContact SG-CD2 3.51Å
585	P	88.3	Confident	84.3	Confident	101 Å²	101	90.8 Å²	90.8	66%	0.656	46%	0.463	S	S	*	.	S	Bend	trans	-74.9	-31.4	169.4	27.6	-29.2	0	0	0	111.4
586	D	85.8	Confident	84.5	Confident	93 Å²	93	90.5 Å²	90.5	50%	0.497	46%	0.46	S	S	.	.	S	Bend	trans	-89.4	-7.5	-169.5	-23.9	-86.1	0	0	0	113.6	C584 H604	C584-D586 PolarHBondContact SG-OD2 3.17Å; D586-H604 HydrophobicContact CB-CB 4.42Å; D586-H604 IonicContact OD2-CD2 3.05Å
587	C	89.9	Confident	84.8	Confident	40 Å²	40	87 Å²	87	27%	0.27	44%	0.444	S	S	.	.	S	Bend	trans	-166	168.2	169.8	71.3	0	0	0	0	111.4	C584 K589 H600	C584-C587 VanDerWaalsContact CB-O 3.32Å; C584-C587 WeakPolarHBondContact CB-O 3.44Å; C584-C587 VanDerWaalsContact O-O 3.06Å; C587-K589 PolarHBondContact O-N 2.82Å; C587-H600 PolarHBondContact SG-NE2 3.25Å
588	E	84.7	Confident	85.1	Confident	188 Å²	188	89.9 Å²	89.9	88%	0.879	45%	0.45	S	S	*	.	S	Bend	trans	-64.1	-11.2	-176.1	-54.9	-177	149.6	0	0	115.3	S590	E588-S590 PolarHBondContact O-N 2.91Å; E588-S590 PolarHBondContact O-OG 2.89Å
589	K	86.1	Confident	85.8	Confident	134 Å²	134	87.1 Å²	87.1	58%	0.583	43%	0.433	S	S	*	.			trans	-64.7	122.1	-173.6	-69.1	175	-179.6	168.3	0	111.1	C584 C587 F591	C584-K589 WeakPolarHBondContact CB-O 3.39Å; C584-K589 PolarHBondContact N-O 3.43Å; C587-K589 PolarHBondContact O-N 2.82Å; K589-F591 HydrophobicContact CB-CE2 3.97Å; K589-F591 HydrophobicContact CB-CZ 4.11Å; K589-F591 WeakPolarHBondContact O-CE2 3.18Å
590	S	87.5	Confident	86.3	Confident	35 Å²	35	83 Å²	83	25%	0.245	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.4	-172.9	-58.5	0	0	0	0	111.3	K580 K583 E588	K580-S590 WeakPolarHBondContact CD-O 3.49Å; K580-S590 WeakPolarHBondContact CG-O 3.34Å; K583-S590 WeakPolarHBondContact CG-OG 3.41Å; E588-S590 PolarHBondContact O-N 2.91Å; E588-S590 PolarHBondContact O-OG 2.89Å
591	F	84.9	Confident	86.6	Confident	46 Å²	46	80.2 Å²	80.2	20%	0.202	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.3	-169.2	-58.7	-93.7	0	0	0	112.6	K580 Y582 K589 H596 L597 H600	K580-F591 CarbonylContact C-O 3.59Å; K580-F591 VanDerWaalsContact C-O 3.3Å; K580-F591 WeakPolarHBondContact CA-O 3.26Å; Y582-F591 WeakPolarHBondContact CB-O 3.43Å; Y582-F591 WeakPolarHBondContact CD2-O 3.36Å; Y582-F591 PolarHBondContact N-O 2.95Å; Y582-F591 VanDerWaalsContact N-O 3.13Å; Y582-F591 PolarHBondContact O-N 3.45Å; K589-F591 HydrophobicContact CB-CE2 3.97Å; K589-F591 HydrophobicContact CB-CZ 4.11Å; K589-F591 WeakPolarHBondContact O-CE2 3.18Å; F591-H596 HydrophobicContact CB-CB 4.4Å; F591-H596 HydrophobicContact CD1-CB 3.82Å; F591-H596 HydrophobicContact CG-CB 4.35Å; F591-L597 HydrophobicContact CB-CB 4.37Å; F591-L597 HydrophobicContact CD2-CB 3.98Å; F591-L597 HydrophobicContact CD2-CD1 3.96Å; F591-L597 HydrophobicContact CE2-CD1 4.15Å; F591-L597 HydrophobicContact CG-CB 4.31Å; F591-H600 HydrophobicContact CE1-CB 4.13Å; F591-H600 HydrophobicContact CE2-CB 3.9Å; F591-H600 AromaticContact CE2-CD2 3.29Å; F591-H600 WeakPolarHBondContact CE2-CD2 3.2Å; F591-H600 AromaticContact CE2-CG 3.72Å; F591-H600 HydrophobicContact CZ-CB 3.5Å; F591-H600 AromaticContact CZ-CD2 3.42Å; F591-H600 VanDerWaalsContact CZ-CD2 3.42Å; F591-H600 WeakPolarHBondContact CZ-CD2 3.07Å; F591-H600 AromaticContact CZ-CG 3.39Å
592	S	83.3	Confident	86.8	Confident	35 Å²	35	78.7 Å²	78.7	25%	0.245	39%	0.388	C	S	.	.	S	Bend	trans	-81.4	-14.3	176.2	57.8	0	0	0	0	114	R574 Y582	R574-S592 PolarHBondContact NH1-O 2.94Å; Y582-S592 WeakPolarHBondContact CE2-O 3.47Å
593	K	83	Confident	86.7	Confident	85 Å²	85	80.6 Å²	80.6	37%	0.37	40%	0.402	S	S	.	.	S	Bend	trans	-135	126.3	-178.2	-65.2	-176.4	177.8	-178.3	0	112.1	Y582 P595 H596 L597	Y582-K593 VanDerWaalsContact CD2-C 3.43Å; K593-P595 VanDerWaalsContact C-CD 3.5Å; K593-H596 WeakPolarHBondContact O-CB 3.4Å; K593-H596 PolarHBondContact O-N 3.21Å; K593-L597 PolarHBondContact O-N 3.3Å
594	K	85.9	Confident	86.7	Confident	146 Å²	146	77 Å²	77	64%	0.635	39%	0.388	S	S	*	.	H	α-helix	trans	-56	-36.5	-177.3	-171.2	168	-178.3	169.3	0	115.2	Y582 H596 L597 K598	Y582-K594 HydrophobicContact CD1-CB 3.99Å; Y582-K594 HydrophobicContact CD1-CG 4.32Å; Y582-K594 HydrophobicContact CD2-CB 4.22Å; Y582-K594 HydrophobicContact CE1-CB 3.93Å; Y582-K594 HydrophobicContact CE1-CD 4.41Å; Y582-K594 HydrophobicContact CE1-CG 4.48Å; Y582-K594 HydrophobicContact CE2-CB 4.15Å; Y582-K594 VanDerWaalsContact CE2-N 3.32Å; Y582-K594 HydrophobicContact CG-CB 4.14Å; K594-H596 VanDerWaalsContact C-N 3.29Å; K594-H596 PolarHBondContact O-N 3.36Å; K594-L597 PolarHBondContact O-N 3.25Å; K594-K598 PolarHBondContact O-N 3.05Å; K594-K598 VanDerWaalsContact O-N 3.07Å
595	P	85.6	Confident	86.5	Confident	90 Å²	90	80.9 Å²	80.9	58%	0.584	41%	0.411	S	S	*	.	H	α-helix	trans	-62.2	-33.2	174.2	-25.9	36.3	0	0	0	113.8	K593 K598 V599	K593-P595 VanDerWaalsContact C-CD 3.5Å; P595-K598 PolarHBondContact O-N 2.98Å; P595-V599 WeakPolarHBondContact O-CG2 3.3Å; P595-V599 PolarHBondContact O-N 3.42Å
596	H	87.3	Confident	86.3	Confident	104 Å²	104	78.2 Å²	78.2	48%	0.481	40%	0.403	S	S	.	.	H	α-helix	trans	-69.7	-39.2	178.6	-62.1	-170.2	0	0	0	110.7	F591 K593 K594 V599 H600	F591-H596 HydrophobicContact CB-CB 4.4Å; F591-H596 HydrophobicContact CD1-CB 3.82Å; F591-H596 HydrophobicContact CG-CB 4.35Å; K593-H596 WeakPolarHBondContact O-CB 3.4Å; K593-H596 PolarHBondContact O-N 3.21Å; K594-H596 VanDerWaalsContact C-N 3.29Å; K594-H596 PolarHBondContact O-N 3.36Å; H596-V599 PolarHBondContact O-N 3.16Å; H596-H600 WeakPolarHBondContact O-CB 3.32Å; H596-H600 PolarHBondContact O-N 3.25Å
597	L	88.6	Confident	86.3	Confident	19 Å²	19	78.3 Å²	78.3	10%	0.099	40%	0.4	C	S	.	.	H	α-helix	trans	-58.9	-48.2	170.2	173.2	61.3	0	0	0	111	K583 C584 F591 K593 K594 V599 H600 Q601	K583-L597 WeakPolarHBondContact O-CD2 3.21Å; C584-L597 HydrophobicContact CB-CD1 3.81Å; F591-L597 HydrophobicContact CB-CB 4.37Å; F591-L597 HydrophobicContact CD2-CB 3.98Å; F591-L597 HydrophobicContact CD2-CD1 3.96Å; F591-L597 HydrophobicContact CE2-CD1 4.15Å; F591-L597 HydrophobicContact CG-CB 4.31Å; K593-L597 PolarHBondContact O-N 3.3Å; K594-L597 PolarHBondContact O-N 3.25Å; L597-V599 VanDerWaalsContact C-N 3.29Å; L597-V599 PolarHBondContact O-N 3.36Å; L597-H600 CarbonylContact O-C 3.12Å; L597-H600 WeakPolarHBondContact O-CA 3.23Å; L597-H600 WeakPolarHBondContact O-CB 3.4Å; L597-H600 PolarHBondContact O-N 3.16Å; L597-Q601 HydrophobicContact CD1-CG 3.94Å; L597-Q601 HydrophobicContact CG-CG 4.33Å; L597-Q601 WeakPolarHBondContact O-CG 3.27Å; L597-Q601 PolarHBondContact O-N 3.14Å
598	K	86.2	Confident	86.2	Confident	134 Å²	134	82 Å²	82	58%	0.583	41%	0.411	S	S	*	.	H	α-helix	trans	-62.9	-33.9	179.8	-175.7	163.8	-177.2	167.6	0	113.1	K594 P595	K594-K598 PolarHBondContact O-N 3.05Å; K594-K598 VanDerWaalsContact O-N 3.07Å; P595-K598 PolarHBondContact O-N 2.98Å
599	V	86.9	Confident	86.4	Confident	45 Å²	45	76.1 Å²	76.1	27%	0.273	39%	0.39	S	S	.	.	H	α-helix	trans	-71.5	-34.4	172.3	170.1	0	0	0	0	111.6	P595 H596 L597 R602 D621	P595-V599 WeakPolarHBondContact O-CG2 3.3Å; P595-V599 PolarHBondContact O-N 3.42Å; H596-V599 PolarHBondContact O-N 3.16Å; L597-V599 VanDerWaalsContact C-N 3.29Å; L597-V599 PolarHBondContact O-N 3.36Å; V599-R602 WeakPolarHBondContact O-CB 3.32Å; V599-D621 HydrophobicContact CG1-CB 3.88Å
600	H	88.4	Confident	86.6	Confident	16 Å²	16	72.8 Å²	72.8	7%	0.074	37%	0.374	C	S	.	.	H	α-helix	trans	-68.9	-40.4	175.4	172.8	48.8	0	0	0	113	C584 C587 F591 H596 L597 R602 I603 H604	C584-H600 VanDerWaalsContact SG-CD2 3.51Å; C587-H600 PolarHBondContact SG-NE2 3.25Å; F591-H600 HydrophobicContact CE1-CB 4.13Å; F591-H600 HydrophobicContact CE2-CB 3.9Å; F591-H600 AromaticContact CE2-CD2 3.29Å; F591-H600 WeakPolarHBondContact CE2-CD2 3.2Å; F591-H600 AromaticContact CE2-CG 3.72Å; F591-H600 HydrophobicContact CZ-CB 3.5Å; F591-H600 AromaticContact CZ-CD2 3.42Å; F591-H600 VanDerWaalsContact CZ-CD2 3.42Å; F591-H600 WeakPolarHBondContact CZ-CD2 3.07Å; F591-H600 AromaticContact CZ-CG 3.39Å; H596-H600 WeakPolarHBondContact O-CB 3.32Å; H596-H600 PolarHBondContact O-N 3.25Å; L597-H600 CarbonylContact O-C 3.12Å; L597-H600 WeakPolarHBondContact O-CA 3.23Å; L597-H600 WeakPolarHBondContact O-CB 3.4Å; L597-H600 PolarHBondContact O-N 3.16Å; H600-R602 PolarHBondContact O-N 3.04Å; H600-R602 VanDerWaalsContact O-N 3.13Å; H600-I603 VanDerWaalsContact O-CB 3.25Å; H600-I603 WeakPolarHBondContact O-CB 3.41Å; H600-I603 WeakPolarHBondContact O-CG1 3.41Å; H600-I603 PolarHBondContact O-N 2.98Å; H600-H604 AromaticContact CE1-NE2 3.55Å; H600-H604 AromaticContact NE2-NE2 3.32Å; H600-H604 PolarHBondContact NE2-NE2 3.37Å
601	Q	87.5	Confident	86.6	Confident	66 Å²	66	76.4 Å²	76.4	31%	0.308	39%	0.389	S	S	.	.	H	α-helix	trans	-58.6	-27.3	178.3	-72.3	178.4	-70	0	0	112.8	L597 I603 H604 T605	L597-Q601 HydrophobicContact CD1-CG 3.94Å; L597-Q601 HydrophobicContact CG-CG 4.33Å; L597-Q601 WeakPolarHBondContact O-CG 3.27Å; L597-Q601 PolarHBondContact O-N 3.14Å; Q601-I603 PolarHBondContact O-N 3.01Å; Q601-H604 PolarHBondContact O-N 3.29Å; Q601-T605 PolarHBondContact O-N 3.48Å; Q601-T605 VanDerWaalsContact O-N 3.07Å
602	R	88.6	Confident	86.8	Confident	34 Å²	34	74.2 Å²	74.2	13%	0.128	38%	0.38	C	S	.	.	H	α-helix	trans	-64.7	-15.1	172.1	-65.3	-174.5	164.8	154.9	1	115	V599 H600 G606 E607 T620	V599-R602 WeakPolarHBondContact O-CB 3.32Å; H600-R602 PolarHBondContact O-N 3.04Å; H600-R602 VanDerWaalsContact O-N 3.13Å; R602-G606 CarbonylContact O-C 3.6Å; R602-G606 WeakPolarHBondContact O-CA 3.45Å; R602-G606 PolarHBondContact O-N 3.09Å; R602-E607 HydrophobicContact CB-CB 3.97Å; R602-E607 WeakPolarHBondContact CB-O 3.23Å; R602-E607 HydrophobicContact CG-CB 3.76Å; R602-E607 IonicContact CZ-OE2 3.66Å; R602-E607 IonicContact NE-OE2 3.71Å; R602-E607 PolarHBondContact NE-OE2 3.5Å; R602-E607 IonicContact NH2-OE2 2.69Å; R602-E607 PolarHBondContact O-N 2.91Å; R602-T620 HydrophobicContact CB-CG2 4.25Å; R602-T620 WeakPolarHBondContact CD-O 3.44Å; R602-T620 PolarHBondContact NH1-O 2.63Å
603	I	85.6	Confident	87	Confident	114 Å²	114	77.8 Å²	77.8	59%	0.585	41%	0.411	S	S	*	.	H	α-helix	trans	-74.2	-37.2	171.9	-55.8	-178.7	0	0	0	109.6	H600 Q601	H600-I603 VanDerWaalsContact O-CB 3.25Å; H600-I603 WeakPolarHBondContact O-CB 3.41Å; H600-I603 WeakPolarHBondContact O-CG1 3.41Å; H600-I603 PolarHBondContact O-N 2.98Å; Q601-I603 PolarHBondContact O-N 3.01Å
604	H	87.1	Confident	87.2	Confident	81 Å²	81	79 Å²	79	38%	0.375	42%	0.418	S	S	.	.	H	α-helix	trans	-76	-40.4	176.8	-56.3	-56.9	0	0	0	112.1	D586 H600 Q601	D586-H604 HydrophobicContact CB-CB 4.42Å; D586-H604 IonicContact OD2-CD2 3.05Å; H600-H604 AromaticContact CE1-NE2 3.55Å; H600-H604 AromaticContact NE2-NE2 3.32Å; H600-H604 PolarHBondContact NE2-NE2 3.37Å; Q601-H604 PolarHBondContact O-N 3.29Å
605	T	86	Confident	87.4	Confident	92 Å²	92	74.5 Å²	74.5	56%	0.564	40%	0.404	S	S	*	.	S	Bend	trans	-84.9	-5	177.9	68.1	0	0	0	0	114.6	Q601 E607	Q601-T605 PolarHBondContact O-N 3.48Å; Q601-T605 VanDerWaalsContact O-N 3.07Å; T605-E607 PolarHBondContact O-N 2.85Å; T605-E607 VanDerWaalsContact O-N 3.1Å
606	G	83.4	Confident	87.4	Confident	46 Å²	46	72.7 Å²	72.7	47%	0.474	40%	0.403	S	S	.	.			trans	68.6	-2.4	-175.6	0	0	0	0	0	115.9	R602 K608	R602-G606 CarbonylContact O-C 3.6Å; R602-G606 WeakPolarHBondContact O-CA 3.45Å; R602-G606 PolarHBondContact O-N 3.09Å; G606-K608 PolarHBondContact O-N 3.37Å
607	E	86.3	Confident	87.4	Confident	94 Å²	94	74 Å²	74	44%	0.439	41%	0.407	S	S	.	.			trans	-51.9	119.4	-178.1	-93	-173.6	-147.6	0	0	113	R602 T605 P609 T620	R602-E607 HydrophobicContact CB-CB 3.97Å; R602-E607 WeakPolarHBondContact CB-O 3.23Å; R602-E607 HydrophobicContact CG-CB 3.76Å; R602-E607 IonicContact CZ-OE2 3.66Å; R602-E607 IonicContact NE-OE2 3.71Å; R602-E607 PolarHBondContact NE-OE2 3.5Å; R602-E607 IonicContact NH2-OE2 2.69Å; R602-E607 PolarHBondContact O-N 2.91Å; T605-E607 PolarHBondContact O-N 2.85Å; T605-E607 VanDerWaalsContact O-N 3.1Å; E607-P609 HydrophobicContact CB-CG 4.36Å; E607-P609 WeakPolarHBondContact O-CD 3.39Å; E607-T620 WeakPolarHBondContact O-CG2 3.12Å
608	K	87.9	Confident	87.4	Confident	118 Å²	118	75 Å²	75	51%	0.513	42%	0.418	S	S	.	.			trans	-123.6	71.1	173.2	-68.9	165.1	-175.4	173.4	0	112	G606 Y610 A618 F619 T620	G606-K608 PolarHBondContact O-N 3.37Å; K608-Y610 PolarHBondContact O-N 2.98Å; K608-A618 HydrophobicContact CB-CB 3.65Å; K608-A618 HydrophobicContact CD-CB 4.12Å; K608-A618 HydrophobicContact CG-CB 4.46Å; K608-F619 CarbonylContact C-O 3.22Å; K608-F619 VanDerWaalsContact C-O 3.28Å; K608-F619 WeakPolarHBondContact CA-O 3.4Å; K608-T620 HydrophobicContact CG-CG2 3.95Å
609	P	88.5	Confident	87.5	Confident	65 Å²	65	70.9 Å²	70.9	42%	0.422	40%	0.4	S	S	.	.			trans	-73.7	0.6	-168	-20.8	37.7	0	0	0	115.5	E607	E607-P609 HydrophobicContact CB-CG 4.36Å; E607-P609 WeakPolarHBondContact O-CD 3.39Å
610	Y	89.6	Confident	87.5	Confident	63 Å²	63	70.6 Å²	70.6	25%	0.247	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	90.5	178.6	-49.1	-64.1	0	0	0	109.3	K608 A618 F619 R622 F625	K608-Y610 PolarHBondContact O-N 2.98Å; Y610-A618 WeakPolarHBondContact O-CA 3.35Å; Y610-F619 WeakPolarHBondContact CD2-O 3.39Å; Y610-F619 PolarHBondContact N-O 3Å; Y610-F619 PolarHBondContact O-N 3.42Å; Y610-R622 HydrophobicContact CD1-CB 4.5Å; Y610-R622 HydrophobicContact CD2-CB 4.29Å; Y610-R622 HydrophobicContact CE1-CB 4.12Å; Y610-R622 HydrophobicContact CE1-CG 4.46Å; Y610-R622 HydrophobicContact CE2-CB 3.9Å; Y610-R622 VanDerWaalsContact CE2-N 3.27Å; Y610-F625 HydrophobicContact CG-CB 4.41Å; Y610-F625 WeakPolarHBondContact O-CD2 3.31Å
611	I	87.5	Confident	87.4	Confident	111 Å²	111	71.3 Å²	71.3	57%	0.569	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	132.4	180	-53.4	177.2	0	0	0	109.1	A618 F625	I611-A618 HydrophobicContact CG1-CB 3.96Å; I611-F625 WeakPolarHBondContact O-CE2 3.45Å
612	C	90.6	Very high	87.3	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.007	41%	0.409	C	S	.	.			trans	-80.8	118.8	174.7	179.7	0	0	0	0	109.8	E614 G616 K617 F625 H632	C612-E614 VanDerWaalsContact C-N 3.25Å; C612-E614 PolarHBondContact O-N 3.02Å; C612-G616 VanDerWaalsContact O-CA 3.24Å; C612-G616 WeakPolarHBondContact O-CA 3.22Å; C612-G616 PolarHBondContact O-N 3.32Å; C612-K617 WeakPolarHBondContact CB-O 3.48Å; C612-K617 PolarHBondContact N-O 3.36Å; C612-F625 HydrophobicContact CB-CE2 4.11Å; C612-H632 VanDerWaalsContact SG-CD2 3.55Å; C612-H632 PolarHBondContact SG-NE2 3.5Å
613	A	87.6	Confident	87.2	Confident	109 Å²	109	75.1 Å²	75.1	90%	0.901	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-30.6	177.6	0	0	0	0	0	112.6
614	E	86.8	Confident	87.2	Confident	111 Å²	111	73.1 Å²	73.1	52%	0.519	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-21.7	-173.9	-61.6	153.6	127.9	0	0	113.2	C612 H632	C612-E614 VanDerWaalsContact C-N 3.25Å; C612-E614 PolarHBondContact O-N 3.02Å; E614-H632 IonicContact OE2-CD2 3.22Å; E614-H632 PolarHBondContact OE2-CD2 2.97Å; E614-H632 VanDerWaalsContact OE2-CD2 3.22Å; E614-H632 IonicContact OE2-CG 3.79Å
615	C	88.6	Confident	87.3	Confident	51 Å²	51	69.9 Å²	69.9	35%	0.345	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.8	16.9	-179.1	80.4	0	0	0	0	115.7	K617 H628 H632	C615-K617 PolarHBondContact O-N 2.74Å; C615-H628 PolarHBondContact SG-NE2 2.92Å; C615-H632 PolarHBondContact SG-NE2 3.09Å
616	G	85.7	Confident	87.3	Confident	53 Å²	53	69 Å²	69	55%	0.546	39%	0.392	S	S	.	.			trans	67.5	-9.5	177.3	0	0	0	0	0	117.1	C612 A618	C612-G616 VanDerWaalsContact O-CA 3.24Å; C612-G616 WeakPolarHBondContact O-CA 3.22Å; C612-G616 PolarHBondContact O-N 3.32Å; G616-A618 PolarHBondContact O-N 3.46Å
617	K	87.7	Confident	87.4	Confident	131 Å²	131	71.3 Å²	71.3	57%	0.57	39%	0.389	S	S	*	.			trans	-65.6	126.7	-173.4	-71	178.8	-176.1	176.2	0	111.3	C612 C615 F619	C612-K617 WeakPolarHBondContact CB-O 3.48Å; C612-K617 PolarHBondContact N-O 3.36Å; C615-K617 PolarHBondContact O-N 2.74Å; K617-F619 HydrophobicContact CB-CE2 3.71Å; K617-F619 HydrophobicContact CB-CZ 4.11Å; K617-F619 WeakPolarHBondContact O-CD2 3.26Å; K617-F619 VanDerWaalsContact O-CE2 3.31Å; K617-F619 WeakPolarHBondContact O-CE2 3.36Å
618	A	89.1	Confident	87.4	Confident	41 Å²	41	67.6 Å²	67.6	34%	0.339	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.4	-174.2	0	0	0	0	0	112.4	K608 Y610 I611 G616	K608-A618 HydrophobicContact CB-CB 3.65Å; K608-A618 HydrophobicContact CD-CB 4.12Å; K608-A618 HydrophobicContact CG-CB 4.46Å; Y610-A618 WeakPolarHBondContact O-CA 3.35Å; I611-A618 HydrophobicContact CG1-CB 3.96Å; G616-A618 PolarHBondContact O-N 3.46Å
619	F	87.6	Confident	87.2	Confident	47 Å²	47	65 Å²	65	21%	0.206	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.7	-171.4	-61.5	-99.7	0	0	0	112.4	K608 Y610 K617 N624 F625 H628	K608-F619 CarbonylContact C-O 3.22Å; K608-F619 VanDerWaalsContact C-O 3.28Å; K608-F619 WeakPolarHBondContact CA-O 3.4Å; Y610-F619 WeakPolarHBondContact CD2-O 3.39Å; Y610-F619 PolarHBondContact N-O 3Å; Y610-F619 PolarHBondContact O-N 3.42Å; K617-F619 HydrophobicContact CB-CE2 3.71Å; K617-F619 HydrophobicContact CB-CZ 4.11Å; K617-F619 WeakPolarHBondContact O-CD2 3.26Å; K617-F619 VanDerWaalsContact O-CE2 3.31Å; K617-F619 WeakPolarHBondContact O-CE2 3.36Å; F619-N624 HydrophobicContact CD1-CB 4.29Å; F619-F625 HydrophobicContact CB-CB 4.21Å; F619-F625 HydrophobicContact CD2-CB 4.46Å; F619-F625 AromaticContact CD2-CD2 3.94Å; F619-F625 HydrophobicContact CD2-CD2 3.94Å; F619-F625 HydrophobicContact CG-CB 4.36Å; F619-H628 HydrophobicContact CE1-CB 4.1Å; F619-H628 HydrophobicContact CE2-CB 4.13Å; F619-H628 AromaticContact CE2-CD2 3.21Å; F619-H628 WeakPolarHBondContact CE2-CD2 3.48Å; F619-H628 AromaticContact CE2-CG 3.81Å; F619-H628 AromaticContact CE2-NE2 3.96Å; F619-H628 HydrophobicContact CZ-CB 3.61Å; F619-H628 AromaticContact CZ-CD2 3.33Å; F619-H628 WeakPolarHBondContact CZ-CD2 3.43Å; F619-H628 AromaticContact CZ-CG 3.43Å; F619-H628 VanDerWaalsContact CZ-CG 3.43Å
620	T	86.6	Confident	87	Confident	38 Å²	38	63.2 Å²	63.2	23%	0.233	35%	0.349	C	S	.	.	S	Bend	trans	-76.6	-26.7	176.9	54.8	0	0	0	0	113.2	R602 E607 K608	R602-T620 HydrophobicContact CB-CG2 4.25Å; R602-T620 WeakPolarHBondContact CD-O 3.44Å; R602-T620 PolarHBondContact NH1-O 2.63Å; E607-T620 WeakPolarHBondContact O-CG2 3.12Å; K608-T620 HydrophobicContact CG-CG2 3.95Å
621	D	87.1	Confident	86.7	Confident	32 Å²	32	65.3 Å²	65.3	17%	0.171	36%	0.363	C	S	.	.			trans	-124.8	142.9	-176.5	176.8	45.6	0	0	0	113.2	V599 S623 N624 F625	V599-D621 HydrophobicContact CG1-CB 3.88Å; D621-S623 PolarHBondContact OD1-N 2.88Å; D621-S623 PolarHBondContact OD1-OG 2.82Å; D621-S623 WeakPolarHBondContact OD2-CA 3.45Å; D621-S623 WeakPolarHBondContact OD2-CB 3.19Å; D621-S623 PolarHBondContact OD2-N 2.95Å; D621-S623 PolarHBondContact OD2-OG 3.11Å; D621-N624 PolarHBondContact OD2-N 3.17Å; D621-F625 PolarHBondContact O-N 2.92Å; D621-F625 VanDerWaalsContact O-N 3.09Å
622	R	86.5	Confident	86.5	Confident	113 Å²	113	63.5 Å²	63.5	43%	0.426	35%	0.352	S	S	.	.	H	α-helix	trans	-71.7	-31.4	-179.7	-174.2	64.8	-164.3	-163.7	3.3	112.4	Y610 F625 N626	Y610-R622 HydrophobicContact CD1-CB 4.5Å; Y610-R622 HydrophobicContact CD2-CB 4.29Å; Y610-R622 HydrophobicContact CE1-CB 4.12Å; Y610-R622 HydrophobicContact CE1-CG 4.46Å; Y610-R622 HydrophobicContact CE2-CB 3.9Å; Y610-R622 VanDerWaalsContact CE2-N 3.27Å; R622-F625 PolarHBondContact O-N 2.84Å; R622-N626 PolarHBondContact NE-OD1 2.86Å; R622-N626 PolarHBondContact NH2-OD1 3.48Å; R622-N626 WeakPolarHBondContact O-CB 3.47Å; R622-N626 VanDerWaalsContact O-CG 3.3Å; R622-N626 PolarHBondContact O-N 2.92Å; R622-N626 PolarHBondContact O-OD1 3.45Å
623	S	85.6	Confident	86.1	Confident	66 Å²	66	67.8 Å²	67.8	46%	0.462	38%	0.378	S	S	.	.	H	α-helix	trans	-66.8	-42.5	178.1	-22	0	0	0	0	110.8	D621 N626 K627	D621-S623 PolarHBondContact OD1-N 2.88Å; D621-S623 PolarHBondContact OD1-OG 2.82Å; D621-S623 WeakPolarHBondContact OD2-CA 3.45Å; D621-S623 WeakPolarHBondContact OD2-CB 3.19Å; D621-S623 PolarHBondContact OD2-N 2.95Å; D621-S623 PolarHBondContact OD2-OG 3.11Å; S623-N626 PolarHBondContact O-N 2.92Å; S623-K627 VanDerWaalsContact O-CG 3.31Å; S623-K627 WeakPolarHBondContact O-CG 3.24Å; S623-K627 PolarHBondContact O-N 3.37Å; S623-K627 VanDerWaalsContact O-N 3.07Å
624	N	86.5	Confident	85.6	Confident	72 Å²	72	64.6 Å²	64.6	39%	0.385	36%	0.357	S	S	.	.	H	α-helix	trans	-71	-35.6	176.2	-70	-17.6	0	0	0	112.4	F619 D621 K627 H628	F619-N624 HydrophobicContact CD1-CB 4.29Å; D621-N624 PolarHBondContact OD2-N 3.17Å; N624-K627 PolarHBondContact O-N 3.45Å; N624-K627 PolarHBondContact OD1-NZ 3.24Å; N624-H628 PolarHBondContact O-N 3.19Å; N624-H628 VanDerWaalsContact O-N 3.11Å
625	F	87.9	Confident	85.3	Confident	13 Å²	13	63.6 Å²	63.6	6%	0.057	36%	0.355	C	S	.	.	H	α-helix	trans	-58.5	-50.4	168.9	177.5	-97.1	0	0	0	112.4	Y610 I611 C612 F619 D621 R622 K627 H628 Q629	Y610-F625 HydrophobicContact CG-CB 4.41Å; Y610-F625 WeakPolarHBondContact O-CD2 3.31Å; I611-F625 WeakPolarHBondContact O-CE2 3.45Å; C612-F625 HydrophobicContact CB-CE2 4.11Å; F619-F625 HydrophobicContact CB-CB 4.21Å; F619-F625 HydrophobicContact CD2-CB 4.46Å; F619-F625 AromaticContact CD2-CD2 3.94Å; F619-F625 HydrophobicContact CD2-CD2 3.94Å; F619-F625 HydrophobicContact CG-CB 4.36Å; D621-F625 PolarHBondContact O-N 2.92Å; D621-F625 VanDerWaalsContact O-N 3.09Å; R622-F625 PolarHBondContact O-N 2.84Å; F625-K627 VanDerWaalsContact C-N 3.33Å; F625-K627 PolarHBondContact O-N 2.96Å; F625-H628 WeakPolarHBondContact O-CA 3.4Å; F625-H628 WeakPolarHBondContact O-CB 3.43Å; F625-H628 PolarHBondContact O-N 3.03Å; F625-Q629 HydrophobicContact CD1-CG 4.32Å; F625-Q629 HydrophobicContact CE1-CG 3.88Å; F625-Q629 HydrophobicContact CZ-CG 4.01Å; F625-Q629 PolarHBondContact O-N 3.37Å
626	N	86.3	Confident	85	Confident	74 Å²	74	66.6 Å²	66.6	40%	0.396	36%	0.362	S	S	.	.	H	α-helix	trans	-60.4	-39.9	178.4	-72.8	8.4	0	0	0	112.2	R622 S623 H628 Q629	R622-N626 PolarHBondContact NE-OD1 2.86Å; R622-N626 PolarHBondContact NH2-OD1 3.48Å; R622-N626 WeakPolarHBondContact O-CB 3.47Å; R622-N626 VanDerWaalsContact O-CG 3.3Å; R622-N626 PolarHBondContact O-N 2.92Å; R622-N626 PolarHBondContact O-OD1 3.45Å; S623-N626 PolarHBondContact O-N 2.92Å; N626-H628 PolarHBondContact O-N 3.45Å; N626-Q629 PolarHBondContact O-N 3.35Å
627	K	84.7	Confident	84.9	Confident	95 Å²	95	67.8 Å²	67.8	41%	0.413	36%	0.36	S	S	.	.	H	α-helix	trans	-65.2	-21.7	173.6	-70.3	172.6	-164.6	164.5	0	113.8	S623 N624 F625 T630	S623-K627 VanDerWaalsContact O-CG 3.31Å; S623-K627 WeakPolarHBondContact O-CG 3.24Å; S623-K627 PolarHBondContact O-N 3.37Å; S623-K627 VanDerWaalsContact O-N 3.07Å; N624-K627 PolarHBondContact O-N 3.45Å; N624-K627 PolarHBondContact OD1-NZ 3.24Å; F625-K627 VanDerWaalsContact C-N 3.33Å; F625-K627 PolarHBondContact O-N 2.96Å; K627-T630 PolarHBondContact O-OG1 3.44Å; K627-T630 VanDerWaalsContact O-OG1 3.08Å
628	H	87	Confident	84.7	Confident	15 Å²	15	66.1 Å²	66.1	7%	0.069	35%	0.351	C	S	.	.	H	α-helix	trans	-83.9	-37.9	176.3	168.7	47	0	0	0	111.2	C615 F619 N624 F625 N626 T630 I631 H632	C615-H628 PolarHBondContact SG-NE2 2.92Å; F619-H628 HydrophobicContact CE1-CB 4.1Å; F619-H628 HydrophobicContact CE2-CB 4.13Å; F619-H628 AromaticContact CE2-CD2 3.21Å; F619-H628 WeakPolarHBondContact CE2-CD2 3.48Å; F619-H628 AromaticContact CE2-CG 3.81Å; F619-H628 AromaticContact CE2-NE2 3.96Å; F619-H628 HydrophobicContact CZ-CB 3.61Å; F619-H628 AromaticContact CZ-CD2 3.33Å; F619-H628 WeakPolarHBondContact CZ-CD2 3.43Å; F619-H628 AromaticContact CZ-CG 3.43Å; F619-H628 VanDerWaalsContact CZ-CG 3.43Å; N624-H628 PolarHBondContact O-N 3.19Å; N624-H628 VanDerWaalsContact O-N 3.11Å; F625-H628 WeakPolarHBondContact O-CA 3.4Å; F625-H628 WeakPolarHBondContact O-CB 3.43Å; F625-H628 PolarHBondContact O-N 3.03Å; N626-H628 PolarHBondContact O-N 3.45Å; H628-T630 PolarHBondContact O-N 2.93Å; H628-I631 VanDerWaalsContact O-CB 3.26Å; H628-I631 WeakPolarHBondContact O-CB 3.19Å; H628-I631 WeakPolarHBondContact O-CG1 3.33Å; H628-I631 PolarHBondContact O-N 3.13Å; H628-H632 AromaticContact CE1-CE1 3.78Å; H628-H632 AromaticContact CE1-NE2 3.23Å; H628-H632 PolarHBondContact CE1-NE2 2.79Å; H628-H632 AromaticContact NE2-NE2 3.33Å; H628-H632 PolarHBondContact NE2-NE2 3.06Å
629	Q	84.3	Confident	84.6	Confident	64 Å²	64	71.5 Å²	71.5	30%	0.299	37%	0.366	S	S	.	.	H	α-helix	trans	-59.5	-32.2	176.4	-65.4	-164	-85.3	0	0	113.2	F625 N626 I631 H632 T633	F625-Q629 HydrophobicContact CD1-CG 4.32Å; F625-Q629 HydrophobicContact CE1-CG 3.88Å; F625-Q629 HydrophobicContact CZ-CG 4.01Å; F625-Q629 PolarHBondContact O-N 3.37Å; N626-Q629 PolarHBondContact O-N 3.35Å; Q629-I631 PolarHBondContact O-N 3.13Å; Q629-I631 VanDerWaalsContact O-N 3.12Å; Q629-H632 PolarHBondContact O-N 3.26Å; Q629-H632 VanDerWaalsContact O-N 3.07Å; Q629-T633 PolarHBondContact O-N 3.18Å; Q629-T633 VanDerWaalsContact O-N 3.07Å; Q629-T633 PolarHBondContact O-OG1 3.39Å
630	T	84.4	Confident	84.6	Confident	27 Å²	27	69.5 Å²	69.5	17%	0.166	36%	0.358	C	S	.	.	H	α-helix	trans	-66.8	-8.7	175.1	57.5	0	0	0	0	114.4	K627 H628 D635	K627-T630 PolarHBondContact O-OG1 3.44Å; K627-T630 VanDerWaalsContact O-OG1 3.08Å; H628-T630 PolarHBondContact O-N 2.93Å; T630-D635 PolarHBondContact O-N 3Å
631	I	83.3	Confident	84.6	Confident	108 Å²	108	71.6 Å²	71.6	55%	0.554	38%	0.375	S	S	*	.	H	α-helix	trans	-77.4	-43.6	170	-54.7	177.4	0	0	0	110	H628 Q629 G634	H628-I631 VanDerWaalsContact O-CB 3.26Å; H628-I631 WeakPolarHBondContact O-CB 3.19Å; H628-I631 WeakPolarHBondContact O-CG1 3.33Å; H628-I631 PolarHBondContact O-N 3.13Å; Q629-I631 PolarHBondContact O-N 3.13Å; Q629-I631 VanDerWaalsContact O-N 3.12Å; I631-G634 PolarHBondContact O-N 2.9Å
632	H	83.1	Confident	84.5	Confident	73 Å²	73	74.3 Å²	74.3	34%	0.338	39%	0.389	S	S	.	.	H	α-helix	trans	-75.8	-41.3	-178.2	-59.6	-47.4	0	0	0	112.4	C612 E614 C615 H628 Q629 G634	C612-H632 VanDerWaalsContact SG-CD2 3.55Å; C612-H632 PolarHBondContact SG-NE2 3.5Å; E614-H632 IonicContact OE2-CD2 3.22Å; E614-H632 PolarHBondContact OE2-CD2 2.97Å; E614-H632 VanDerWaalsContact OE2-CD2 3.22Å; E614-H632 IonicContact OE2-CG 3.79Å; C615-H632 PolarHBondContact SG-NE2 3.09Å; H628-H632 AromaticContact CE1-CE1 3.78Å; H628-H632 AromaticContact CE1-NE2 3.23Å; H628-H632 PolarHBondContact CE1-NE2 2.79Å; H628-H632 AromaticContact NE2-NE2 3.33Å; H628-H632 PolarHBondContact NE2-NE2 3.06Å; Q629-H632 PolarHBondContact O-N 3.26Å; Q629-H632 VanDerWaalsContact O-N 3.07Å; H632-G634 PolarHBondContact O-N 3.19Å
633	T	81.1	Confident	84.6	Confident	90 Å²	90	71.5 Å²	71.5	55%	0.552	39%	0.386	S	S	*	.	S	Bend	trans	-73.9	-5.9	174.7	64	0	0	0	0	113.4	Q629 D635	Q629-T633 PolarHBondContact O-N 3.18Å; Q629-T633 VanDerWaalsContact O-N 3.07Å; Q629-T633 PolarHBondContact O-OG1 3.39Å; T633-D635 PolarHBondContact O-N 3.33Å; T633-D635 VanDerWaalsContact O-N 3.07Å; T633-D635 WeakPolarHBondContact OG1-CB 3.33Å
634	G	78.5	Confident	84.4	Confident	43 Å²	43	70.9 Å²	70.9	44%	0.443	39%	0.39	S	S	.	.			trans	63.8	6.5	-174.7	0	0	0	0	0	114.9	I631 H632 K636	I631-G634 PolarHBondContact O-N 2.9Å; H632-G634 PolarHBondContact O-N 3.19Å; G634-K636 WeakPolarHBondContact O-CG 3.45Å; G634-K636 PolarHBondContact O-N 3.43Å
635	D	79.7	Confident	84.4	Confident	90 Å²	90	73.5 Å²	73.5	48%	0.481	40%	0.398	S	S	.	.			trans	-72.3	120.3	-165.3	-170	10	0	0	0	112	T630 T633 P637	T630-D635 PolarHBondContact O-N 3Å; T633-D635 PolarHBondContact O-N 3.33Å; T633-D635 VanDerWaalsContact O-N 3.07Å; T633-D635 WeakPolarHBondContact OG1-CB 3.33Å; D635-P637 WeakPolarHBondContact O-CD 3.18Å
636	K	83.3	Confident	84.2	Confident	113 Å²	113	74.1 Å²	74.1	49%	0.491	41%	0.408	S	S	.	.			trans	-121	67.2	-168.9	-78.8	163	172.6	177.8	0	110.9	G634 Y638 G646 F647 T648	G634-K636 WeakPolarHBondContact O-CG 3.45Å; G634-K636 PolarHBondContact O-N 3.43Å; K636-Y638 PolarHBondContact O-N 3.3Å; K636-G646 WeakPolarHBondContact CD-O 3.1Å; K636-F647 CarbonylContact C-O 3.48Å; K636-F647 WeakPolarHBondContact CA-O 3.41Å; K636-T648 HydrophobicContact CG-CG2 4.14Å
637	P	82.1	Confident	84.1	Confident	78 Å²	78	72.4 Å²	72.4	51%	0.506	40%	0.397	S	S	.	.			trans	-69.1	-15.8	-174.5	27.8	-36	0	0	0	113.8	D635 K639	D635-P637 WeakPolarHBondContact O-CD 3.18Å; P637-K639 PolarHBondContact O-N 3.01Å
638	Y	84.6	Confident	84	Confident	96 Å²	96	70 Å²	70	38%	0.376	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	86.8	179.8	-55.7	-74.3	0	0	0	110.4	K636 F647 K650	K636-Y638 PolarHBondContact O-N 3.3Å; Y638-F647 WeakPolarHBondContact CB-O 3.26Å; Y638-F647 PolarHBondContact N-O 2.55Å; Y638-F647 PolarHBondContact O-N 3.13Å; Y638-K650 HydrophobicContact CD1-CB 3.79Å; Y638-K650 HydrophobicContact CD1-CG 4.23Å; Y638-K650 HydrophobicContact CE1-CB 3.72Å; Y638-K650 HydrophobicContact CE1-CD 4.48Å; Y638-K650 HydrophobicContact CE1-CG 4.32Å; Y638-K650 HydrophobicContact CG-CB 4.25Å
639	K	86.1	Confident	83.7	Confident	154 Å²	154	72.7 Å²	72.7	67%	0.67	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	140	175.5	-61.8	-176	-178.7	-178.8	0	111.7	P637	P637-K639 PolarHBondContact O-N 3.01Å
640	C	88.7	Confident	83.7	Confident	5 Å²	5	76.7 Å²	76.7	3%	0.034	42%	0.419	C	S	.	.			trans	-72.5	131	165.5	170.9	0	0	0	0	109.3	D642 C643 G644 K645 F647 L653	C640-D642 PolarHBondContact O-N 3.1Å; C640-D642 PolarHBondContact SG-N 2.61Å; C640-D642 PolarHBondContact SG-OD2 2.79Å; C640-C643 PolarHBondContact SG-N 3.29Å; C640-C643 VanDerWaalsContact SG-N 3.36Å; C640-C643 PolarHBondContact SG-SG 3.17Å; C640-G644 WeakPolarHBondContact O-CA 3.45Å; C640-G644 PolarHBondContact O-N 2.81Å; C640-G644 VanDerWaalsContact O-N 3.1Å; C640-K645 WeakPolarHBondContact CB-O 3.33Å; C640-K645 PolarHBondContact N-O 2.86Å; C640-F647 HydrophobicContact CB-CE2 4.25Å; C640-L653 HydrophobicContact CB-CD1 3.67Å
641	S	86.2	Confident	83.7	Confident	83 Å²	83	79 Å²	79	58%	0.58	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-26.7	174.8	32.4	0	0	0	0	112.2	R657	S641-R657 PolarHBondContact OG-NH2 2.92Å
642	D	84.5	Confident	83.8	Confident	89 Å²	89	76.4 Å²	76.4	48%	0.476	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-28.7	-154.6	-30.3	-65.2	0	0	0	110.6	C640 R657	C640-D642 PolarHBondContact O-N 3.1Å; C640-D642 PolarHBondContact SG-N 2.61Å; C640-D642 PolarHBondContact SG-OD2 2.79Å; D642-R657 IonicContact OD2-NE 3.44Å; D642-R657 PolarHBondContact OD2-NE 3.42Å
643	C	88.7	Confident	83.9	Confident	54 Å²	54	73.6 Å²	73.6	37%	0.365	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138	12.4	173.2	71.4	0	0	0	0	114.2	C640 K645 H656	C640-C643 PolarHBondContact SG-N 3.29Å; C640-C643 VanDerWaalsContact SG-N 3.36Å; C640-C643 PolarHBondContact SG-SG 3.17Å; C643-K645 PolarHBondContact O-N 2.87Å; C643-H656 PolarHBondContact SG-NE2 2.91Å
644	G	82.3	Confident	84.1	Confident	52 Å²	52	72.6 Å²	72.6	54%	0.536	41%	0.409	S	S	.	.			trans	70.3	-13.4	177.5	0	0	0	0	0	117	C640 G646	C640-G644 WeakPolarHBondContact O-CA 3.45Å; C640-G644 PolarHBondContact O-N 2.81Å; C640-G644 VanDerWaalsContact O-N 3.1Å; G644-G646 PolarHBondContact O-N 3.19Å
645	K	85.3	Confident	84.5	Confident	128 Å²	128	76.6 Å²	76.6	56%	0.557	42%	0.418	S	S	*	.			trans	-56.5	128.8	-174.7	-71.3	178.3	-176.4	173.1	0	112.1	C640 C643 F647	C640-K645 WeakPolarHBondContact CB-O 3.33Å; C640-K645 PolarHBondContact N-O 2.86Å; C643-K645 PolarHBondContact O-N 2.87Å; K645-F647 HydrophobicContact CB-CE2 3.81Å; K645-F647 HydrophobicContact CB-CZ 3.91Å; K645-F647 WeakPolarHBondContact O-CD2 3.11Å; K645-F647 VanDerWaalsContact O-CE2 3.23Å; K645-F647 WeakPolarHBondContact O-CE2 3.08Å
646	G	84.1	Confident	84.8	Confident	25 Å²	25	73.4 Å²	73.4	26%	0.258	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	134.2	-179.2	0	0	0	0	0	113.4	K636 G644	K636-G646 WeakPolarHBondContact CD-O 3.1Å; G644-G646 PolarHBondContact O-N 3.19Å
647	F	83.3	Confident	84.8	Confident	39 Å²	39	73 Å²	73	17%	0.171	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	149.7	-178.7	-58.3	-86	0	0	0	111.7	K636 Y638 C640 K645 V652 L653 H656	K636-F647 CarbonylContact C-O 3.48Å; K636-F647 WeakPolarHBondContact CA-O 3.41Å; Y638-F647 WeakPolarHBondContact CB-O 3.26Å; Y638-F647 PolarHBondContact N-O 2.55Å; Y638-F647 PolarHBondContact O-N 3.13Å; C640-F647 HydrophobicContact CB-CE2 4.25Å; K645-F647 HydrophobicContact CB-CE2 3.81Å; K645-F647 HydrophobicContact CB-CZ 3.91Å; K645-F647 WeakPolarHBondContact O-CD2 3.11Å; K645-F647 VanDerWaalsContact O-CE2 3.23Å; K645-F647 WeakPolarHBondContact O-CE2 3.08Å; F647-V652 HydrophobicContact CD1-CB 4.32Å; F647-V652 HydrophobicContact CD1-CG1 3.59Å; F647-V652 HydrophobicContact CE1-CG1 4.11Å; F647-V652 HydrophobicContact CG-CG1 4.4Å; F647-L653 HydrophobicContact CB-CB 4.34Å; F647-L653 HydrophobicContact CD2-CB 4.01Å; F647-L653 HydrophobicContact CD2-CD1 3.91Å; F647-L653 HydrophobicContact CE2-CD1 4.12Å; F647-L653 HydrophobicContact CG-CB 4.35Å; F647-H656 HydrophobicContact CE1-CB 4.18Å; F647-H656 HydrophobicContact CE2-CB 4.06Å; F647-H656 AromaticContact CE2-CD2 3.37Å; F647-H656 WeakPolarHBondContact CE2-CD2 3.28Å; F647-H656 AromaticContact CE2-CG 3.83Å; F647-H656 HydrophobicContact CZ-CB 3.67Å; F647-H656 AromaticContact CZ-CD2 3.28Å; F647-H656 WeakPolarHBondContact CZ-CD2 3.49Å; F647-H656 AromaticContact CZ-CG 3.35Å; F647-H656 AromaticContact CZ-NE2 3.95Å
648	T	82.5	Confident	84.9	Confident	43 Å²	43	74.4 Å²	74.4	26%	0.264	40%	0.399	S	S	.	.	S	Bend	trans	-80.2	-14.7	177.4	55.3	0	0	0	0	113.1	K636	K636-T648 HydrophobicContact CG-CG2 4.14Å
649	Q	82.4	Confident	84.8	Confident	72 Å²	72	75.8 Å²	75.8	34%	0.336	41%	0.411	S	S	.	.	S	Bend	trans	-139.5	138.3	-178.4	-60.4	-171.3	52.2	0	0	112.6	S651 V652 L653	Q649-S651 VanDerWaalsContact C-N 3.29Å; Q649-S651 PolarHBondContact O-N 2.96Å; Q649-V652 HydrophobicContact CB-CG2 4.17Å; Q649-V652 PolarHBondContact O-N 3.19Å; Q649-L653 PolarHBondContact O-N 2.8Å; Q649-L653 VanDerWaalsContact O-N 3.15Å
650	K	83.8	Confident	84.3	Confident	149 Å²	149	72.7 Å²	72.7	65%	0.648	40%	0.399	S	S	*	.	H	α-helix	trans	-61.6	-31.9	178.7	-169.8	175	178.3	179.1	0	113.7	Y638 L653 S654	Y638-K650 HydrophobicContact CD1-CB 3.79Å; Y638-K650 HydrophobicContact CD1-CG 4.23Å; Y638-K650 HydrophobicContact CE1-CB 3.72Å; Y638-K650 HydrophobicContact CE1-CD 4.48Å; Y638-K650 HydrophobicContact CE1-CG 4.32Å; Y638-K650 HydrophobicContact CG-CB 4.25Å; K650-L653 PolarHBondContact O-N 2.63Å; K650-S654 WeakPolarHBondContact O-CB 3.48Å; K650-S654 PolarHBondContact O-N 3.03Å
651	S	85.1	Confident	83	Confident	75 Å²	75	80.2 Å²	80.2	52%	0.524	45%	0.445	S	S	.	.	H	α-helix	trans	-62	-44.6	175.1	42.7	0	0	0	0	111.9	Q649 S654 M655	Q649-S651 VanDerWaalsContact C-N 3.29Å; Q649-S651 PolarHBondContact O-N 2.96Å; S651-S654 WeakPolarHBondContact O-CB 3.46Å; S651-S654 PolarHBondContact O-N 2.88Å; S651-M655 PolarHBondContact O-N 2.92Å
652	V	83.9	Confident	82.8	Confident	53 Å²	53	80.1 Å²	80.1	32%	0.321	44%	0.438	S	S	.	.	H	α-helix	trans	-68.4	-39.2	177.9	-174.1	0	0	0	0	110.8	F647 Q649 S654 M655 H656	F647-V652 HydrophobicContact CD1-CB 4.32Å; F647-V652 HydrophobicContact CD1-CG1 3.59Å; F647-V652 HydrophobicContact CE1-CG1 4.11Å; F647-V652 HydrophobicContact CG-CG1 4.4Å; Q649-V652 HydrophobicContact CB-CG2 4.17Å; Q649-V652 PolarHBondContact O-N 3.19Å; V652-S654 VanDerWaalsContact C-N 3.33Å; V652-S654 PolarHBondContact O-N 3Å; V652-M655 PolarHBondContact O-N 3.12Å; V652-H656 VanDerWaalsContact O-CB 3.32Å; V652-H656 WeakPolarHBondContact O-CB 3.41Å; V652-H656 PolarHBondContact O-N 2.93Å
653	L	86.4	Confident	82.7	Confident	14 Å²	14	79.6 Å²	79.6	7%	0.073	44%	0.436	C	S	.	.	H	α-helix	trans	-60.5	-40.9	169.9	171.5	60.9	0	0	0	112	C640 F647 Q649 K650 H656 R657	C640-L653 HydrophobicContact CB-CD1 3.67Å; F647-L653 HydrophobicContact CB-CB 4.34Å; F647-L653 HydrophobicContact CD2-CB 4.01Å; F647-L653 HydrophobicContact CD2-CD1 3.91Å; F647-L653 HydrophobicContact CE2-CD1 4.12Å; F647-L653 HydrophobicContact CG-CB 4.35Å; Q649-L653 PolarHBondContact O-N 2.8Å; Q649-L653 VanDerWaalsContact O-N 3.15Å; K650-L653 PolarHBondContact O-N 2.63Å; L653-H656 PolarHBondContact O-N 3.24Å; L653-R657 HydrophobicContact CD1-CG 4.32Å; L653-R657 PolarHBondContact O-N 2.91Å
654	S	85.3	Confident	82.4	Confident	69 Å²	69	81.1 Å²	81.1	48%	0.483	44%	0.44	S	S	.	.	H	α-helix	trans	-64	-47.3	178.1	-155.2	0	0	0	0	111.2	K650 S651 V652 H656 R657 N658	K650-S654 WeakPolarHBondContact O-CB 3.48Å; K650-S654 PolarHBondContact O-N 3.03Å; S651-S654 WeakPolarHBondContact O-CB 3.46Å; S651-S654 PolarHBondContact O-N 2.88Å; V652-S654 VanDerWaalsContact C-N 3.33Å; V652-S654 PolarHBondContact O-N 3Å; S654-H656 VanDerWaalsContact C-N 3.28Å; S654-H656 PolarHBondContact O-N 3.3Å; S654-R657 PolarHBondContact O-N 3.34Å; S654-R657 VanDerWaalsContact O-N 3.16Å; S654-N658 PolarHBondContact O-N 2.88Å; S654-N658 PolarHBondContact O-OD1 3.22Å
655	M	85.4	Confident	82.4	Confident	128 Å²	128	82.8 Å²	82.8	63%	0.631	44%	0.435	S	S	*	.	H	α-helix	trans	-62.5	-34.5	175.5	-175.3	174.2	67.8	0	0	112.4	S651 V652 N658	S651-M655 PolarHBondContact O-N 2.92Å; V652-M655 PolarHBondContact O-N 3.12Å; M655-N658 WeakPolarHBondContact O-CB 3.44Å; M655-N658 PolarHBondContact O-N 3.25Å
656	H	86.2	Confident	82.2	Confident	22 Å²	22	79.9 Å²	79.9	10%	0.102	43%	0.427	C	S	.	.	H	α-helix	trans	-71.8	-32.5	174.4	179.2	54.3	0	0	0	113.1	C643 F647 V652 L653 S654 N658 I659 H660	C643-H656 PolarHBondContact SG-NE2 2.91Å; F647-H656 HydrophobicContact CE1-CB 4.18Å; F647-H656 HydrophobicContact CE2-CB 4.06Å; F647-H656 AromaticContact CE2-CD2 3.37Å; F647-H656 WeakPolarHBondContact CE2-CD2 3.28Å; F647-H656 AromaticContact CE2-CG 3.83Å; F647-H656 HydrophobicContact CZ-CB 3.67Å; F647-H656 AromaticContact CZ-CD2 3.28Å; F647-H656 WeakPolarHBondContact CZ-CD2 3.49Å; F647-H656 AromaticContact CZ-CG 3.35Å; F647-H656 AromaticContact CZ-NE2 3.95Å; V652-H656 VanDerWaalsContact O-CB 3.32Å; V652-H656 WeakPolarHBondContact O-CB 3.41Å; V652-H656 PolarHBondContact O-N 2.93Å; L653-H656 PolarHBondContact O-N 3.24Å; S654-H656 VanDerWaalsContact C-N 3.28Å; S654-H656 PolarHBondContact O-N 3.3Å; H656-N658 PolarHBondContact O-N 3.3Å; H656-I659 WeakPolarHBondContact O-CB 3.2Å; H656-I659 PolarHBondContact O-N 3.17Å; H656-I659 VanDerWaalsContact O-N 3.09Å; H656-H660 AromaticContact CD2-NE2 3.74Å; H656-H660 AromaticContact CE1-NE2 3.34Å; H656-H660 PolarHBondContact CE1-NE2 2.58Å; H656-H660 VanDerWaalsContact CE1-NE2 3.34Å; H656-H660 AromaticContact NE2-CD2 3.98Å; H656-H660 AromaticContact NE2-CE1 3.91Å; H656-H660 AromaticContact NE2-NE2 3.01Å; H656-H660 PolarHBondContact NE2-NE2 2.95Å
657	R	84.4	Confident	82.1	Confident	106 Å²	106	83.6 Å²	83.6	40%	0.4	44%	0.439	S	S	.	.	H	α-helix	trans	-64.3	-31.6	173.5	-86.2	-179.8	163.8	168.5	-3.7	112.5	S641 D642 L653 S654 I659 H660	S641-R657 PolarHBondContact OG-NH2 2.92Å; D642-R657 IonicContact OD2-NE 3.44Å; D642-R657 PolarHBondContact OD2-NE 3.42Å; L653-R657 HydrophobicContact CD1-CG 4.32Å; L653-R657 PolarHBondContact O-N 2.91Å; S654-R657 PolarHBondContact O-N 3.34Å; S654-R657 VanDerWaalsContact O-N 3.16Å; R657-I659 PolarHBondContact O-N 3.28Å; R657-H660 PolarHBondContact O-N 3.24Å
658	N	82.8	Confident	82	Confident	107 Å²	107	86.8 Å²	86.8	57%	0.572	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	8.9	170.9	-57.9	12.8	0	0	0	114.2	S654 M655 H656 T661	S654-N658 PolarHBondContact O-N 2.88Å; S654-N658 PolarHBondContact O-OD1 3.22Å; M655-N658 WeakPolarHBondContact O-CB 3.44Å; M655-N658 PolarHBondContact O-N 3.25Å; H656-N658 PolarHBondContact O-N 3.3Å; N658-T661 WeakPolarHBondContact CA-OG1 3.26Å
659	I	82.8	Confident	81.9	Confident	124 Å²	124	90.2 Å²	90.2	64%	0.636	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-11.4	172.8	-47.7	178.4	0	0	0	110.5	H656 R657	H656-I659 WeakPolarHBondContact O-CB 3.2Å; H656-I659 PolarHBondContact O-N 3.17Å; H656-I659 VanDerWaalsContact O-N 3.09Å; R657-I659 PolarHBondContact O-N 3.28Å
660	H	76.4	Confident	81.9	Confident	90 Å²	90	91.7 Å²	91.7	42%	0.417	48%	0.484	S	S	.	.			trans	-105.4	14.2	172.1	-51.7	-73.2	0	0	0	111.9	H656 R657	H656-H660 AromaticContact CD2-NE2 3.74Å; H656-H660 AromaticContact CE1-NE2 3.34Å; H656-H660 PolarHBondContact CE1-NE2 2.58Å; H656-H660 VanDerWaalsContact CE1-NE2 3.34Å; H656-H660 AromaticContact NE2-CD2 3.98Å; H656-H660 AromaticContact NE2-CE1 3.91Å; H656-H660 AromaticContact NE2-NE2 3.01Å; H656-H660 PolarHBondContact NE2-NE2 2.95Å; R657-H660 PolarHBondContact O-N 3.24Å
661	T	60.3	Low	81.7	Confident	163 Å²	163	86.5 Å²	86.5	100%	1	47%	0.469	S	S	*	.			trans	-127.6	0	177.1	59.4	0	0	0	0	109.3	N658	N658-T661 WeakPolarHBondContact CA-OG1 3.26Å

Retrieved 661 of 661 residues in 153.8 ms (Link to these results)

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