A0A077YXS3_TRITR Loading...

Elongator complex protein 3

Catalytic tRNA acetyltransferase subunit of the elongator complex, which is required for multiple tRNA modifications, including mcm5U (5-methoxycarbonylmethyl uridine), mcm5s2U (5-methoxycarbonylmethyl-2-thiouridine), and ncm5U (5-carbamoylmethyl uridine). In the elongator complex, acts as a tRNA uridine(34) acetyltransferase by mediating formation of carboxymethyluridine in the wobble base at position 34 in tRNAs.

AlphaFold DB , UniProt , Accession A0A077YXS3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 568 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.8	Very low	27.5	Very low	242 Å²	242	169.5 Å²	169.5	100%	1.192	87%	0.866	S	S	*	*				0	132	0	-79.2	178.7	-153.4	0	0	108.2
2	L	32.1	Very low	27.4	Very low	179 Å²	179	164.5 Å²	164.5	94%	0.937	86%	0.857	S	S	*	*			trans	73.3	78.1	178.4	-65.3	161.2	0	0	0	116.8
3	T	25.3	Very low	27.3	Very low	132 Å²	132	160.3 Å²	160.3	81%	0.81	85%	0.85	S	S	*	*			trans	-70.8	139.7	154.6	38.1	0	0	0	0	111.6
4	C	27.3	Very low	27.5	Very low	132 Å²	132	160.3 Å²	160.3	89%	0.892	85%	0.849	S	S	*	*			trans	-159.5	99.1	144.9	-138.4	0	0	0	0	112.1
5	T	24.1	Very low	27.5	Very low	121 Å²	121	157.1 Å²	157.1	74%	0.742	85%	0.845	S	S	*	*			trans	-79.4	138.5	163.9	17.1	0	0	0	0	109.7
6	S	29	Very low	27.8	Very low	111 Å²	111	158.1 Å²	158.1	78%	0.776	84%	0.84	S	S	*	*			trans	-142.6	109.3	156.4	50.3	0	0	0	0	110.7
7	Y	26.4	Very low	28.2	Very low	213 Å²	213	157.2 Å²	157.2	84%	0.835	83%	0.834	S	S	*	*			trans	-88.3	133.5	165.6	-89.8	-98	0	0	0	108.1
8	F	26.2	Very low	28.3	Very low	189 Å²	189	160.2 Å²	160.2	83%	0.829	84%	0.839	S	S	*	*			trans	-111.2	107.7	166.7	-109.7	-85.6	0	0	0	109.6	Y10	F8-Y10 HydrophobicContact CD1-CE2 4.46Å
9	T	25.5	Very low	28.6	Very low	128 Å²	128	161.1 Å²	161.1	79%	0.785	84%	0.839	S	S	*	*			trans	-94.7	123.5	165.6	20.9	0	0	0	0	108.7
10	Y	28	Very low	28.7	Very low	221 Å²	221	160.9 Å²	160.9	87%	0.867	84%	0.839	S	S	*	*			trans	-97.4	109	169.5	-113.7	-92.4	0	0	0	109.4	F8	F8-Y10 HydrophobicContact CD1-CE2 4.46Å
11	K	28.1	Very low	29	Very low	197 Å²	197	159.8 Å²	159.8	86%	0.857	84%	0.839	S	S	*	*			trans	-87	143.2	166.6	-101.5	-177.1	176.2	-179.8	0	109.8
12	S	25.7	Very low	29.1	Very low	109 Å²	109	157.5 Å²	157.5	76%	0.762	83%	0.828	S	S	*	*			trans	-62.9	139.2	169.8	54.2	0	0	0	0	113.2
13	S	26.3	Very low	29.1	Very low	110 Å²	110	152.3 Å²	152.3	77%	0.769	82%	0.818	S	S	*	*			trans	154.7	117.1	131.3	59.5	0	0	0	0	109.7
14	L	30.8	Very low	29.5	Very low	160 Å²	160	156 Å²	156	84%	0.838	82%	0.823	S	S	*	*			trans	-163.2	92	153.1	-106.3	147.3	0	0	0	108.7	F16	L14-F16 HydrophobicContact CD2-CD2 4.41Å
15	S	26.6	Very low	29.9	Very low	112 Å²	112	155.5 Å²	155.5	78%	0.783	82%	0.816	S	S	*	*			trans	-68.6	115.5	152.3	47.5	0	0	0	0	108
16	F	33.3	Very low	30.8	Very low	174 Å²	174	154.9 Å²	154.9	76%	0.763	81%	0.808	S	S	*	*			trans	-153.1	113.7	160.8	-124.4	-95	0	0	0	110.4	L14	L14-F16 HydrophobicContact CD2-CD2 4.41Å
17	L	34.1	Very low	31.9	Very low	142 Å²	142	154.9 Å²	154.9	74%	0.743	81%	0.805	S	S	*	*			trans	53.9	107.5	148.5	-60.9	176.9	0	0	0	119.8	E19	L17-E19 PolarHBondContact O-N 2.7Å
18	F	30.5	Very low	33.1	Very low	211 Å²	211	153.3 Å²	153.3	93%	0.925	80%	0.803	S	S	*	*			trans	-63.7	114.2	150.8	-103.2	-99.6	0	0	0	109.5
19	E	33.1	Very low	34.6	Very low	178 Å²	178	148.2 Å²	148.2	83%	0.832	78%	0.784	S	S	*	*			trans	-137.1	126.3	155.4	-104.4	178.3	179.2	0	0	109.9	L17 T21	L17-E19 PolarHBondContact O-N 2.7Å; E19-T21 PolarHBondContact O-N 3.02Å
20	N	31.1	Very low	36.8	Very low	157 Å²	157	146.4 Å²	146.4	84%	0.84	77%	0.77	S	S	*	*			trans	-56.6	119.2	-178.8	-85.9	-37.8	0	0	0	112.1
21	T	35.4	Very low	39.2	Very low	138 Å²	138	137.7 Å²	137.7	85%	0.847	75%	0.747	S	S	*	*			trans	-132.8	103.2	154.9	38.4	0	0	0	0	109.6	E19	E19-T21 PolarHBondContact O-N 3.02Å
22	M	33.4	Very low	41.7	Very low	193 Å²	193	131.2 Å²	131.2	95%	0.951	73%	0.73	S	S	*	*			trans	-67.6	134.8	164.4	-70	-173.9	-172.8	0	0	109.4
23	G	31.4	Very low	44.5	Very low	71 Å²	71	129.8 Å²	129.8	73%	0.732	71%	0.712	S	S	*	*			trans	107.7	86.3	151.9	0	0	0	0	0	117.3
24	K	33.9	Very low	47.4	Very low	208 Å²	208	126.6 Å²	126.6	90%	0.904	69%	0.686	S	S	*	*				170.1	102.5	125.7	-91.6	170	-173.8	-179.6	0	109.1	N26	K24-N26 PolarHBondContact O-N 3.1Å
25	T	36.4	Very low	50.1	Low	122 Å²	122	121.3 Å²	121.3	75%	0.748	66%	0.657	S	S	*	*			trans	-67.3	121.8	176.4	45.2	0	0	0	0	110.7
26	N	41.9	Very low	53	Low	108 Å²	108	118.6 Å²	118.6	58%	0.578	64%	0.642	S	S	*	*			trans	-71.2	132	176.6	-158.8	-11.7	0	0	0	109	K24 K28 D29	K24-N26 PolarHBondContact O-N 3.1Å; N26-K28 PolarHBondContact O-N 3.33Å; N26-D29 HydrophobicContact CB-CB 4.47Å; N26-D29 WeakPolarHBondContact O-CA 3.31Å; N26-D29 WeakPolarHBondContact O-CB 3.41Å; N26-D29 PolarHBondContact O-N 2.88Å
27	P	51.3	Low	55.7	Low	111 Å²	111	117.4 Å²	117.4	72%	0.721	63%	0.632	S	S	*	*	H	α-helix	trans	-56	-22.9	-176.3	-15.2	12.6	0	0	0	115.2	D29	P27-D29 VanDerWaalsContact C-N 3.34Å
28	K	53	Low	58.4	Low	181 Å²	181	110.6 Å²	110.6	79%	0.787	60%	0.597	S	S	*	*	H	α-helix	trans	-70.7	-29.5	173.4	-71.9	-174.1	178.4	177.6	0	113.2	N26	N26-K28 PolarHBondContact O-N 3.33Å
29	D	56.2	Low	61.2	Low	81 Å²	81	101 Å²	101	43%	0.433	56%	0.555	S	S	.	*	H	α-helix	trans	-72.4	-36.7	-179.8	-150	-2.3	0	0	0	110.5	N26 P27 G31 A32 Q33	N26-D29 HydrophobicContact CB-CB 4.47Å; N26-D29 WeakPolarHBondContact O-CA 3.31Å; N26-D29 WeakPolarHBondContact O-CB 3.41Å; N26-D29 PolarHBondContact O-N 2.88Å; P27-D29 VanDerWaalsContact C-N 3.34Å; D29-G31 PolarHBondContact O-N 2.81Å; D29-A32 PolarHBondContact O-N 2.69Å; D29-Q33 WeakPolarHBondContact O-CB 3.35Å; D29-Q33 VanDerWaalsContact O-CG 3.24Å; D29-Q33 WeakPolarHBondContact O-CG 3.28Å; D29-Q33 PolarHBondContact O-N 2.8Å; D29-Q33 PolarHBondContact OD1-NE2 3.38Å; D29-Q33 VanDerWaalsContact OD1-NE2 3.13Å
30	D	72.2	Confident	64	Low	91 Å²	91	96 Å²	96	49%	0.487	54%	0.54	S	S	.	.	H	α-helix	trans	-62.2	-42.6	176.7	-163.2	28.5	0	0	0	111.9	A32 Q33 L34	D30-A32 PolarHBondContact O-N 3.24Å; D30-Q33 PolarHBondContact O-N 3.41Å; D30-L34 WeakPolarHBondContact O-CB 3.49Å; D30-L34 WeakPolarHBondContact O-CG 3.23Å; D30-L34 PolarHBondContact O-N 2.92Å
31	G	79.4	Confident	66.9	Low	38 Å²	38	90.7 Å²	90.7	39%	0.392	51%	0.51	S	S	.	.	H	α-helix	trans	-64.1	-40.6	178.3	0	0	0	0	0	114.3	D29 M35	D29-G31 PolarHBondContact O-N 2.81Å; G31-M35 WeakPolarHBondContact O-CB 3.22Å; G31-M35 PolarHBondContact O-N 2.95Å
32	A	81.1	Confident	69.6	Low	61 Å²	61	84.1 Å²	84.1	50%	0.504	47%	0.469	S	S	.	.	H	α-helix	trans	-70.1	-40.6	177.9	0	0	0	0	0	111.6	D29 D30 M35 A36	D29-A32 PolarHBondContact O-N 2.69Å; D30-A32 PolarHBondContact O-N 3.24Å; A32-M35 PolarHBondContact O-N 3.03Å; A32-A36 PolarHBondContact O-N 3.16Å
33	Q	84	Confident	72.3	Confident	79 Å²	79	75.2 Å²	75.2	37%	0.369	43%	0.426	S	S	.	.	H	α-helix	trans	-65.1	-42.8	176.1	-69.6	177.3	28.2	0	0	111.7	D29 D30 M35 A36 R37	D29-Q33 WeakPolarHBondContact O-CB 3.35Å; D29-Q33 VanDerWaalsContact O-CG 3.24Å; D29-Q33 WeakPolarHBondContact O-CG 3.28Å; D29-Q33 PolarHBondContact O-N 2.8Å; D29-Q33 PolarHBondContact OD1-NE2 3.38Å; D29-Q33 VanDerWaalsContact OD1-NE2 3.13Å; D30-Q33 PolarHBondContact O-N 3.41Å; Q33-M35 PolarHBondContact O-N 2.99Å; Q33-A36 PolarHBondContact O-N 2.73Å; Q33-R37 WeakPolarHBondContact O-CG 3.3Å; Q33-R37 PolarHBondContact O-N 2.94Å
34	L	87.6	Confident	75.1	Confident	43 Å²	43	74 Å²	74	23%	0.225	41%	0.409	C	S	.	.	H	α-helix	trans	-61.4	-42.4	174.1	-73	169.3	0	0	0	111.9	D30 R37 T38 Y69 L71	D30-L34 WeakPolarHBondContact O-CB 3.49Å; D30-L34 WeakPolarHBondContact O-CG 3.23Å; D30-L34 PolarHBondContact O-N 2.92Å; L34-R37 PolarHBondContact O-N 3.29Å; L34-T38 WeakPolarHBondContact O-CB 3.39Å; L34-T38 PolarHBondContact O-N 3.35Å; L34-T38 PolarHBondContact O-OG1 3.27Å; L34-Y69 HydrophobicContact CD2-CD1 4.14Å; L34-L71 HydrophobicContact CB-CD2 4.15Å
35	M	87.4	Confident	77.9	Confident	48 Å²	48	65.8 Å²	65.8	24%	0.236	38%	0.376	C	S	.	.	H	α-helix	trans	-61.4	-45.1	175.3	-175.3	63.6	68.4	0	0	111.4	G31 A32 Q33 T38 V39 L71 P75	G31-M35 WeakPolarHBondContact O-CB 3.22Å; G31-M35 PolarHBondContact O-N 2.95Å; A32-M35 PolarHBondContact O-N 3.03Å; Q33-M35 PolarHBondContact O-N 2.99Å; M35-T38 PolarHBondContact O-N 3.06Å; M35-V39 WeakPolarHBondContact O-CG2 3.43Å; M35-V39 PolarHBondContact O-N 2.95Å; M35-L71 HydrophobicContact CE-CD1 3.94Å; M35-L71 HydrophobicContact CE-CD2 4.13Å; M35-L71 HydrophobicContact SD-CD1 3.91Å; M35-P75 HydrophobicContact SD-CB 3.95Å; M35-P75 HydrophobicContact SD-CG 3.74Å
36	A	87.6	Confident	80.5	Confident	55 Å²	55	60.8 Å²	60.8	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-62.5	-44.1	177.3	0	0	0	0	0	112.1	A32 Q33 T38 V39 S40	A32-A36 PolarHBondContact O-N 3.16Å; Q33-A36 PolarHBondContact O-N 2.73Å; A36-T38 PolarHBondContact O-N 2.91Å; A36-V39 PolarHBondContact O-N 3.45Å; A36-S40 WeakPolarHBondContact O-CB 3.37Å; A36-S40 PolarHBondContact O-N 2.57Å; A36-S40 PolarHBondContact O-OG 3.26Å
37	R	88.8	Confident	82.8	Confident	149 Å²	149	56.9 Å²	56.9	56%	0.562	32%	0.324	S	S	*	.	H	α-helix	trans	-60.9	-43.9	175.3	-72.9	178.6	-176.5	-176.1	3.4	112	Q33 L34 S40 E41 Y69	Q33-R37 WeakPolarHBondContact O-CG 3.3Å; Q33-R37 PolarHBondContact O-N 2.94Å; L34-R37 PolarHBondContact O-N 3.29Å; R37-S40 PolarHBondContact O-N 3.48Å; R37-E41 PolarHBondContact O-N 3.45Å; R37-Y69 HydrophobicContact CB-CE1 4.18Å
38	T	90.3	Very high	84.7	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.6	-47.8	177.2	-55.9	0	0	0	0	110.9	L34 M35 A36 E41 I42 V65 Y69 L71 P75	L34-T38 WeakPolarHBondContact O-CB 3.39Å; L34-T38 PolarHBondContact O-N 3.35Å; L34-T38 PolarHBondContact O-OG1 3.27Å; M35-T38 PolarHBondContact O-N 3.06Å; A36-T38 PolarHBondContact O-N 2.91Å; T38-E41 PolarHBondContact O-N 2.92Å; T38-I42 HydrophobicContact CG2-CD1 4.05Å; T38-I42 VanDerWaalsContact O-CG1 3.29Å; T38-I42 WeakPolarHBondContact O-CG1 3.44Å; T38-I42 PolarHBondContact O-N 3.02Å; T38-V65 HydrophobicContact CG2-CB 4.26Å; T38-V65 HydrophobicContact CG2-CG1 3.66Å; T38-Y69 HydrophobicContact CG2-CD2 4.27Å; T38-Y69 WeakPolarHBondContact OG1-CB 3.45Å; T38-Y69 VanDerWaalsContact OG1-CD2 3.24Å; T38-Y69 WeakPolarHBondContact OG1-CD2 3.48Å; T38-L71 HydrophobicContact CG2-CD1 3.58Å; T38-L71 VanDerWaalsContact OG1-CD1 3.25Å; T38-L71 WeakPolarHBondContact OG1-CD1 3.48Å; T38-P75 HydrophobicContact CG2-CG 3.76Å
39	V	90.4	Very high	86.5	Confident	10 Å²	10	50.2 Å²	50.2	6%	0.061	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-45.5	178	169.7	0	0	0	0	111.2	M35 A36 E41 I42 V43 P75 D79 A83	M35-V39 WeakPolarHBondContact O-CG2 3.43Å; M35-V39 PolarHBondContact O-N 2.95Å; A36-V39 PolarHBondContact O-N 3.45Å; V39-E41 VanDerWaalsContact C-N 3.35Å; V39-E41 PolarHBondContact O-N 3.35Å; V39-I42 PolarHBondContact O-N 3.13Å; V39-V43 HydrophobicContact CG1-CG2 4.47Å; V39-V43 WeakPolarHBondContact O-CG2 3.5Å; V39-V43 PolarHBondContact O-N 3.31Å; V39-P75 HydrophobicContact CG2-CB 3.68Å; V39-P75 HydrophobicContact CG2-CG 3.99Å; V39-D79 HydrophobicContact CG2-CB 4.22Å; V39-A83 HydrophobicContact CG1-CB 3.34Å
40	S	90.7	Very high	87.9	Confident	72 Å²	72	49.3 Å²	49.3	50%	0.503	27%	0.274	S	S	.	.	H	α-helix	trans	-60.8	-41.1	177.3	-68.2	0	0	0	0	112.4	A36 R37 V43 A44	A36-S40 WeakPolarHBondContact O-CB 3.37Å; A36-S40 PolarHBondContact O-N 2.57Å; A36-S40 PolarHBondContact O-OG 3.26Å; R37-S40 PolarHBondContact O-N 3.48Å; S40-V43 PolarHBondContact O-N 2.86Å; S40-A44 VanDerWaalsContact O-CB 3.29Å; S40-A44 WeakPolarHBondContact O-CB 3.11Å; S40-A44 PolarHBondContact O-N 3.45Å
41	E	92.3	Very high	88.7	Confident	45 Å²	45	49.5 Å²	49.5	21%	0.21	28%	0.275	C	S	.	.	H	α-helix	trans	-66.8	-39.7	176.3	-178.9	168.1	161.3	0	0	112.2	R37 T38 V39 A44 T45 V65 K68 Y69	R37-E41 PolarHBondContact O-N 3.45Å; T38-E41 PolarHBondContact O-N 2.92Å; V39-E41 VanDerWaalsContact C-N 3.35Å; V39-E41 PolarHBondContact O-N 3.35Å; E41-A44 PolarHBondContact O-N 3.48Å; E41-T45 WeakPolarHBondContact O-CB 3.29Å; E41-T45 PolarHBondContact O-N 2.85Å; E41-T45 PolarHBondContact O-OG1 3.11Å; E41-V65 HydrophobicContact CB-CG1 3.93Å; E41-V65 HydrophobicContact CG-CG1 3.96Å; E41-V65 HydrophobicContact CG-CG2 4.38Å; E41-K68 IonicContact OE1-NZ 2.69Å; E41-K68 PolarHBondContact OE1-NZ 3.14Å; E41-K68 IonicContact OE2-NZ 2.81Å; E41-K68 PolarHBondContact OE2-NZ 2.97Å; E41-Y69 HydrophobicContact CB-CE2 4.34Å; E41-Y69 WeakPolarHBondContact OE2-CE2 3.35Å; E41-Y69 VanDerWaalsContact OE2-CZ 3.22Å; E41-Y69 PolarHBondContact OE2-OH 3.4Å
42	I	92.1	Very high	89.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.6	-50	173.6	-70	165.7	0	0	0	110	T38 V39 T45 L46 L58 L61 K62 V65 P75 I80	T38-I42 HydrophobicContact CG2-CD1 4.05Å; T38-I42 VanDerWaalsContact O-CG1 3.29Å; T38-I42 WeakPolarHBondContact O-CG1 3.44Å; T38-I42 PolarHBondContact O-N 3.02Å; V39-I42 PolarHBondContact O-N 3.13Å; I42-T45 PolarHBondContact O-N 3.43Å; I42-L46 HydrophobicContact CG2-CD1 4.04Å; I42-L46 VanDerWaalsContact O-CG 3.32Å; I42-L46 WeakPolarHBondContact O-CG 3.24Å; I42-L46 PolarHBondContact O-N 3.06Å; I42-L58 HydrophobicContact CG2-CD1 4.39Å; I42-L61 HydrophobicContact CG1-CG 4.43Å; I42-L61 HydrophobicContact CG2-CD2 3.89Å; I42-L61 HydrophobicContact CG2-CG 4.37Å; I42-K62 HydrophobicContact CD1-CG 4.24Å; I42-V65 HydrophobicContact CD1-CB 4.34Å; I42-V65 HydrophobicContact CG1-CB 3.83Å; I42-V65 HydrophobicContact CG1-CG1 4.02Å; I42-V65 HydrophobicContact CG1-CG2 3.9Å; I42-P75 HydrophobicContact CD1-CG 3.91Å; I42-I80 HydrophobicContact CD1-CD1 4.44Å; I42-I80 HydrophobicContact CG2-CD1 4.15Å; I42-I80 HydrophobicContact CG2-CG1 4.36Å; I42-I80 HydrophobicContact CG2-CG2 4.13Å
43	V	90.5	Very high	89.4	Confident	6 Å²	6	53.1 Å²	53.1	4%	0.036	29%	0.29	C	S	.	.	H	α-helix	trans	-64	-43.9	-179.5	172.7	0	0	0	0	111.4	V39 S40 T45 L46 I47 I80 A83 V84	V39-V43 HydrophobicContact CG1-CG2 4.47Å; V39-V43 WeakPolarHBondContact O-CG2 3.5Å; V39-V43 PolarHBondContact O-N 3.31Å; S40-V43 PolarHBondContact O-N 2.86Å; V43-T45 VanDerWaalsContact C-N 3.27Å; V43-T45 PolarHBondContact O-N 3.07Å; V43-L46 PolarHBondContact O-N 3.17Å; V43-L46 VanDerWaalsContact O-N 3.16Å; V43-I47 HydrophobicContact CG1-CD1 3.9Å; V43-I47 HydrophobicContact CG1-CG1 4.43Å; V43-I47 WeakPolarHBondContact O-CG1 3.39Å; V43-I47 PolarHBondContact O-N 3.12Å; V43-I80 HydrophobicContact CG2-CG2 4.06Å; V43-A83 HydrophobicContact CG2-CB 3.98Å; V43-V84 HydrophobicContact CG2-CG2 4.46Å
44	A	91.4	Very high	89.5	Confident	45 Å²	45	55.2 Å²	55.2	37%	0.372	30%	0.298	S	S	.	.	H	α-helix	trans	-61.5	-35.9	176.5	0	0	0	0	0	112.3	S40 E41 R48	S40-A44 VanDerWaalsContact O-CB 3.29Å; S40-A44 WeakPolarHBondContact O-CB 3.11Å; S40-A44 PolarHBondContact O-N 3.45Å; E41-A44 PolarHBondContact O-N 3.48Å; A44-R48 PolarHBondContact O-N 3.26Å
45	T	91.6	Very high	89.1	Confident	36 Å²	36	60.6 Å²	60.6	22%	0.221	33%	0.327	C	S	.	.	H	α-helix	trans	-70.2	-39.2	175.3	-54	0	0	0	0	111.6	E41 I42 V43 A49 L61	E41-T45 WeakPolarHBondContact O-CB 3.29Å; E41-T45 PolarHBondContact O-N 2.85Å; E41-T45 PolarHBondContact O-OG1 3.11Å; I42-T45 PolarHBondContact O-N 3.43Å; V43-T45 VanDerWaalsContact C-N 3.27Å; V43-T45 PolarHBondContact O-N 3.07Å; T45-A49 VanDerWaalsContact O-CB 3.3Å; T45-A49 WeakPolarHBondContact O-CB 3.45Å; T45-A49 PolarHBondContact O-N 3.18Å; T45-L61 HydrophobicContact CG2-CD1 3.75Å; T45-L61 HydrophobicContact CG2-CD2 4.17Å
46	L	90.8	Very high	88.9	Confident	17 Å²	17	60.9 Å²	60.9	9%	0.089	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-38.8	175.1	-70.2	170.1	0	0	0	112.6	I42 V43 H50 V56 L58 L61 I80 L92 L96	I42-L46 HydrophobicContact CG2-CD1 4.04Å; I42-L46 VanDerWaalsContact O-CG 3.32Å; I42-L46 WeakPolarHBondContact O-CG 3.24Å; I42-L46 PolarHBondContact O-N 3.06Å; V43-L46 PolarHBondContact O-N 3.17Å; V43-L46 VanDerWaalsContact O-N 3.16Å; L46-H50 WeakPolarHBondContact O-CB 3.37Å; L46-H50 PolarHBondContact O-N 3.35Å; L46-V56 HydrophobicContact CD2-CB 4.17Å; L46-V56 HydrophobicContact CD2-CG1 4.08Å; L46-L58 HydrophobicContact CD1-CD1 4.06Å; L46-L58 HydrophobicContact CD2-CD1 4.31Å; L46-L61 HydrophobicContact CD2-CD2 4Å; L46-L61 HydrophobicContact CG-CD2 3.96Å; L46-I80 HydrophobicContact CD1-CG2 4.24Å; L46-L92 HydrophobicContact CB-CD1 4.35Å; L46-L92 HydrophobicContact CB-CD2 4.38Å; L46-L96 HydrophobicContact CD1-CD1 4.33Å; L46-L96 HydrophobicContact CD1-CD2 3.97Å
47	I	90.8	Very high	88.8	Confident	27 Å²	27	62.4 Å²	62.4	14%	0.138	33%	0.332	C	S	.	.	H	α-helix	trans	-62.7	-54.1	174.7	-70	168	0	0	0	109.8	V43 A49 H50 D51 P85 Y88 L92	V43-I47 HydrophobicContact CG1-CD1 3.9Å; V43-I47 HydrophobicContact CG1-CG1 4.43Å; V43-I47 WeakPolarHBondContact O-CG1 3.39Å; V43-I47 PolarHBondContact O-N 3.12Å; I47-A49 VanDerWaalsContact C-N 3.3Å; I47-A49 PolarHBondContact O-N 3.29Å; I47-H50 WeakPolarHBondContact O-CA 3.45Å; I47-H50 WeakPolarHBondContact O-CB 3.2Å; I47-H50 PolarHBondContact O-N 2.92Å; I47-D51 PolarHBondContact O-N 3.32Å; I47-P85 HydrophobicContact CD1-CG 3.98Å; I47-Y88 HydrophobicContact CD1-CD2 3.9Å; I47-Y88 HydrophobicContact CD1-CE2 4.26Å; I47-Y88 HydrophobicContact CD1-CG 4.25Å; I47-Y88 HydrophobicContact CG1-CD1 4.23Å; I47-Y88 HydrophobicContact CG1-CD2 4.09Å; I47-Y88 HydrophobicContact CG1-CE2 4.45Å; I47-Y88 HydrophobicContact CG1-CG 3.97Å; I47-Y88 HydrophobicContact CG2-CD1 4.15Å; I47-Y88 HydrophobicContact CG2-CD2 4.29Å; I47-Y88 HydrophobicContact CG2-CE1 3.67Å; I47-Y88 HydrophobicContact CG2-CE2 3.82Å; I47-Y88 HydrophobicContact CG2-CG 4.44Å; I47-Y88 VanDerWaalsContact CG2-CZ 3.49Å; I47-L92 HydrophobicContact CG1-CD1 3.84Å
48	R	91.2	Very high	88.6	Confident	143 Å²	143	57.1 Å²	57.1	54%	0.54	32%	0.315	S	S	.	.	H	α-helix	trans	-54.5	-46.4	176.9	-116.9	-176.2	-55.4	-174.1	5.5	112.6	A44 H50 D51 E52	A44-R48 PolarHBondContact O-N 3.26Å; R48-H50 VanDerWaalsContact C-N 3.28Å; R48-H50 PolarHBondContact O-N 2.95Å; R48-D51 PolarHBondContact O-N 2.9Å; R48-E52 WeakPolarHBondContact O-CB 3.46Å; R48-E52 VanDerWaalsContact O-CG 3.28Å; R48-E52 WeakPolarHBondContact O-CG 3.15Å; R48-E52 PolarHBondContact O-N 2.97Å
49	A	89.7	Confident	88.4	Confident	8 Å²	8	62.1 Å²	62.1	7%	0.066	34%	0.342	C	S	.	.	H	α-helix	trans	-65.5	-34.6	180	0	0	0	0	0	112.2	T45 I47 G53 K54 V56	T45-A49 VanDerWaalsContact O-CB 3.3Å; T45-A49 WeakPolarHBondContact O-CB 3.45Å; T45-A49 PolarHBondContact O-N 3.18Å; I47-A49 VanDerWaalsContact C-N 3.3Å; I47-A49 PolarHBondContact O-N 3.29Å; A49-G53 PolarHBondContact O-N 3.5Å; A49-G53 VanDerWaalsContact O-N 3.1Å; A49-K54 HydrophobicContact CB-CB 4.39Å; A49-K54 PolarHBondContact O-N 3.22Å; A49-V56 HydrophobicContact CB-CG2 3.19Å
50	H	87.1	Confident	88.3	Confident	62 Å²	62	69 Å²	69	29%	0.287	37%	0.371	S	S	.	.	H	α-helix	trans	-64.3	-47.6	172.3	176.6	51.7	0	0	0	111.9	L46 I47 R48 E52 G53 V91 L92	L46-H50 WeakPolarHBondContact O-CB 3.37Å; L46-H50 PolarHBondContact O-N 3.35Å; I47-H50 WeakPolarHBondContact O-CA 3.45Å; I47-H50 WeakPolarHBondContact O-CB 3.2Å; I47-H50 PolarHBondContact O-N 2.92Å; R48-H50 VanDerWaalsContact C-N 3.28Å; R48-H50 PolarHBondContact O-N 2.95Å; H50-E52 VanDerWaalsContact C-N 3.25Å; H50-E52 PolarHBondContact O-N 3.29Å; H50-G53 PolarHBondContact O-N 3.39Å; H50-V91 WeakPolarHBondContact CE1-CG1 3.32Å; H50-V91 WeakPolarHBondContact ND1-CG1 3.38Å; H50-V91 WeakPolarHBondContact NE2-CG1 3.5Å; H50-L92 HydrophobicContact CB-CD2 4.38Å
51	D	89.1	Confident	88.3	Confident	96 Å²	96	66.7 Å²	66.7	51%	0.513	35%	0.352	S	S	.	.	H	α-helix	trans	-63.5	-33.7	-179.7	-61.1	-21.5	0	0	0	111.5	I47 R48 G53	I47-D51 PolarHBondContact O-N 3.32Å; R48-D51 PolarHBondContact O-N 2.9Å; D51-G53 VanDerWaalsContact C-N 3.33Å
52	E	90	Very high	88.2	Confident	103 Å²	103	65.8 Å²	65.8	48%	0.481	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-3	174.8	-68.4	173.9	-157.3	0	0	113.9	R48 H50 K54	R48-E52 WeakPolarHBondContact O-CB 3.46Å; R48-E52 VanDerWaalsContact O-CG 3.28Å; R48-E52 WeakPolarHBondContact O-CG 3.15Å; R48-E52 PolarHBondContact O-N 2.97Å; H50-E52 VanDerWaalsContact C-N 3.25Å; H50-E52 PolarHBondContact O-N 3.29Å; E52-K54 VanDerWaalsContact C-N 3.26Å; E52-K54 HydrophobicContact CB-CD 4.25Å; E52-K54 HydrophobicContact CB-CG 4.2Å; E52-K54 PolarHBondContact O-N 3.43Å; E52-K54 WeakPolarHBondContact OE2-CD 3.11Å; E52-K54 VanDerWaalsContact OE2-CE 3.31Å; E52-K54 WeakPolarHBondContact OE2-CE 3.31Å; E52-K54 IonicContact OE2-NZ 2.7Å; E52-K54 PolarHBondContact OE2-NZ 3.37Å
53	G	84.9	Confident	88	Confident	71 Å²	71	68.3 Å²	68.3	73%	0.732	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	21	-177.3	0	0	0	0	0	115	A49 H50 D51	A49-G53 PolarHBondContact O-N 3.5Å; A49-G53 VanDerWaalsContact O-N 3.1Å; H50-G53 PolarHBondContact O-N 3.39Å; D51-G53 VanDerWaalsContact C-N 3.33Å
54	K	85	Confident	88	Confident	124 Å²	124	71 Å²	71	54%	0.539	39%	0.388	S	S	.	.			trans	-94.2	138.6	-179.1	-67.9	177.9	-174.8	159.9	0	112	A49 E52	A49-K54 HydrophobicContact CB-CB 4.39Å; A49-K54 PolarHBondContact O-N 3.22Å; E52-K54 VanDerWaalsContact C-N 3.26Å; E52-K54 HydrophobicContact CB-CD 4.25Å; E52-K54 HydrophobicContact CB-CG 4.2Å; E52-K54 PolarHBondContact O-N 3.43Å; E52-K54 WeakPolarHBondContact OE2-CD 3.11Å; E52-K54 VanDerWaalsContact OE2-CE 3.31Å; E52-K54 WeakPolarHBondContact OE2-CE 3.31Å; E52-K54 IonicContact OE2-NZ 2.7Å; E52-K54 PolarHBondContact OE2-NZ 3.37Å
55	D	80.7	Confident	87.9	Confident	155 Å²	155	69.1 Å²	69.1	83%	0.829	37%	0.372	S	S	*	.			trans	-81	136.9	171	-85.1	-27.5	0	0	0	111.5
56	V	81.2	Confident	87.9	Confident	55 Å²	55	67.7 Å²	67.7	33%	0.333	36%	0.363	S	S	.	.			trans	-119.8	125.5	-177.9	179.6	0	0	0	0	109.9	L46 A49 L58 L61	L46-V56 HydrophobicContact CD2-CB 4.17Å; L46-V56 HydrophobicContact CD2-CG1 4.08Å; A49-V56 HydrophobicContact CB-CG2 3.19Å; V56-L58 PolarHBondContact O-N 2.85Å; V56-L58 VanDerWaalsContact O-N 3.11Å; V56-L61 HydrophobicContact CG1-CB 3.97Å; V56-L61 HydrophobicContact CG1-CD2 3.84Å; V56-L61 HydrophobicContact CG1-CG 4.44Å
57	N	85.4	Confident	87.8	Confident	87 Å²	87	71.3 Å²	71.3	47%	0.465	39%	0.39	S	S	.	.			trans	-74.4	102.5	166.5	-174.1	-47.2	0	0	0	109.3	N59 K60 L61	N57-N59 VanDerWaalsContact C-N 3.27Å; N57-N59 PolarHBondContact O-N 2.98Å; N57-N59 PolarHBondContact OD1-N 3.45Å; N57-N59 VanDerWaalsContact OD1-N 3.12Å; N57-K60 HydrophobicContact CB-CB 4.09Å; N57-K60 HydrophobicContact CB-CD 4.17Å; N57-K60 HydrophobicContact CB-CG 4.14Å; N57-K60 PolarHBondContact O-N 3.11Å; N57-K60 PolarHBondContact OD1-N 3.14Å; N57-L61 PolarHBondContact O-N 3.21Å
58	L	86.2	Confident	87.7	Confident	38 Å²	38	76.4 Å²	76.4	20%	0.199	41%	0.411	C	S	.	.	H	α-helix	trans	-56.5	-38.8	-176.9	-176.5	65	0	0	0	112.8	I42 L46 V56 L61 K62 L77 I80 L96	I42-L58 HydrophobicContact CG2-CD1 4.39Å; L46-L58 HydrophobicContact CD1-CD1 4.06Å; L46-L58 HydrophobicContact CD2-CD1 4.31Å; V56-L58 PolarHBondContact O-N 2.85Å; V56-L58 VanDerWaalsContact O-N 3.11Å; L58-L61 PolarHBondContact O-N 3.47Å; L58-K62 HydrophobicContact CD1-CG 4.36Å; L58-K62 HydrophobicContact CG-CD 4.13Å; L58-K62 HydrophobicContact CG-CG 4.36Å; L58-K62 WeakPolarHBondContact O-CB 3.29Å; L58-K62 WeakPolarHBondContact O-CG 3.41Å; L58-K62 PolarHBondContact O-N 3.26Å; L58-L77 HydrophobicContact CD2-CD1 3.81Å; L58-I80 HydrophobicContact CD1-CD1 4.46Å; L58-L96 HydrophobicContact CD1-CD2 4.03Å; L58-L96 HydrophobicContact CD2-CD2 3.69Å; L58-L96 HydrophobicContact CG-CD2 4.47Å
59	N	85.8	Confident	87.6	Confident	105 Å²	105	72.6 Å²	72.6	56%	0.561	40%	0.397	S	S	*	.	H	α-helix	trans	-67.3	-43.4	180	-73.5	-25.3	0	0	0	111.3	N57 L61 K62 C63	N57-N59 VanDerWaalsContact C-N 3.27Å; N57-N59 PolarHBondContact O-N 2.98Å; N57-N59 PolarHBondContact OD1-N 3.45Å; N57-N59 VanDerWaalsContact OD1-N 3.12Å; N59-L61 VanDerWaalsContact C-N 3.35Å; N59-L61 PolarHBondContact O-N 2.89Å; N59-K62 PolarHBondContact O-N 3Å; N59-C63 PolarHBondContact O-N 3.22Å; N59-C63 PolarHBondContact O-SG 3.46Å
60	K	88.3	Confident	87.4	Confident	155 Å²	155	75.3 Å²	75.3	67%	0.674	43%	0.426	S	S	*	.	H	α-helix	trans	-61.9	-43.5	174.4	-70.5	-172.5	177.7	-174.9	0	111.4	N57 C63 A64	N57-K60 HydrophobicContact CB-CB 4.09Å; N57-K60 HydrophobicContact CB-CD 4.17Å; N57-K60 HydrophobicContact CB-CG 4.14Å; N57-K60 PolarHBondContact O-N 3.11Å; N57-K60 PolarHBondContact OD1-N 3.14Å; K60-C63 PolarHBondContact O-N 3.42Å; K60-A64 WeakPolarHBondContact O-CB 3.25Å; K60-A64 PolarHBondContact O-N 2.94Å
61	L	90.2	Very high	87.3	Confident	22 Å²	22	73.9 Å²	73.9	12%	0.115	42%	0.42	C	S	.	.	H	α-helix	trans	-61.1	-47.1	177	178.9	63.3	0	0	0	111.4	I42 T45 L46 V56 N57 L58 N59 C63 A64 V65	I42-L61 HydrophobicContact CG1-CG 4.43Å; I42-L61 HydrophobicContact CG2-CD2 3.89Å; I42-L61 HydrophobicContact CG2-CG 4.37Å; T45-L61 HydrophobicContact CG2-CD1 3.75Å; T45-L61 HydrophobicContact CG2-CD2 4.17Å; L46-L61 HydrophobicContact CD2-CD2 4Å; L46-L61 HydrophobicContact CG-CD2 3.96Å; V56-L61 HydrophobicContact CG1-CB 3.97Å; V56-L61 HydrophobicContact CG1-CD2 3.84Å; V56-L61 HydrophobicContact CG1-CG 4.44Å; N57-L61 PolarHBondContact O-N 3.21Å; L58-L61 PolarHBondContact O-N 3.47Å; N59-L61 VanDerWaalsContact C-N 3.35Å; N59-L61 PolarHBondContact O-N 2.89Å; L61-C63 VanDerWaalsContact C-N 3.34Å; L61-C63 PolarHBondContact O-N 2.99Å; L61-A64 PolarHBondContact O-N 3.27Å; L61-V65 HydrophobicContact CD1-CG2 3.73Å; L61-V65 HydrophobicContact CG-CG2 4.34Å; L61-V65 WeakPolarHBondContact O-CG2 3.36Å; L61-V65 PolarHBondContact O-N 2.62Å
62	K	90	Very high	87	Confident	26 Å²	26	79.8 Å²	79.8	11%	0.113	44%	0.441	C	S	.	.	H	α-helix	trans	-57.4	-46.7	176.2	-75.4	175.6	73.6	-161	0	111.6	I42 L58 N59 S66 P75 I80	I42-K62 HydrophobicContact CD1-CG 4.24Å; L58-K62 HydrophobicContact CD1-CG 4.36Å; L58-K62 HydrophobicContact CG-CD 4.13Å; L58-K62 HydrophobicContact CG-CG 4.36Å; L58-K62 WeakPolarHBondContact O-CB 3.29Å; L58-K62 WeakPolarHBondContact O-CG 3.41Å; L58-K62 PolarHBondContact O-N 3.26Å; N59-K62 PolarHBondContact O-N 3Å; K62-S66 WeakPolarHBondContact O-CB 3.45Å; K62-S66 PolarHBondContact O-N 3Å; K62-S66 PolarHBondContact O-OG 2.75Å; K62-P75 WeakPolarHBondContact CE-O 3.44Å; K62-P75 PolarHBondContact NZ-O 2.99Å; K62-I80 HydrophobicContact CD-CD1 3.85Å; K62-I80 HydrophobicContact CG-CD1 3.89Å
63	C	89.3	Confident	86.8	Confident	54 Å²	54	78.5 Å²	78.5	37%	0.365	44%	0.444	S	S	.	.	H	α-helix	trans	-57.7	-54.9	175.6	-67.4	0	0	0	0	110.9	N59 K60 L61 V65 S66 S67 Q74	N59-C63 PolarHBondContact O-N 3.22Å; N59-C63 PolarHBondContact O-SG 3.46Å; K60-C63 PolarHBondContact O-N 3.42Å; L61-C63 VanDerWaalsContact C-N 3.34Å; L61-C63 PolarHBondContact O-N 2.99Å; C63-V65 PolarHBondContact O-N 2.93Å; C63-S66 PolarHBondContact O-N 3.13Å; C63-S67 WeakPolarHBondContact O-CB 3.32Å; C63-S67 PolarHBondContact O-N 3.35Å; C63-S67 PolarHBondContact O-OG 3.39Å; C63-Q74 PolarHBondContact SG-NE2 3.39Å
64	A	90	Very high	86.9	Confident	61 Å²	61	79 Å²	79	50%	0.504	43%	0.427	S	S	.	.	H	α-helix	trans	-59.3	-48.5	-174.4	0	0	0	0	0	112.5	K60 L61 S67 K68	K60-A64 WeakPolarHBondContact O-CB 3.25Å; K60-A64 PolarHBondContact O-N 2.94Å; L61-A64 PolarHBondContact O-N 3.27Å; A64-S67 PolarHBondContact O-N 3.35Å; A64-K68 PolarHBondContact O-N 3.36Å
65	V	89.7	Confident	86.9	Confident	7 Å²	7	73.1 Å²	73.1	4%	0.042	40%	0.402	C	S	.	.	H	α-helix	trans	-70.6	-37.2	-179.6	-173.6	0	0	0	0	110.9	T38 E41 I42 L61 C63 S67 K68 Y69	T38-V65 HydrophobicContact CG2-CB 4.26Å; T38-V65 HydrophobicContact CG2-CG1 3.66Å; E41-V65 HydrophobicContact CB-CG1 3.93Å; E41-V65 HydrophobicContact CG-CG1 3.96Å; E41-V65 HydrophobicContact CG-CG2 4.38Å; I42-V65 HydrophobicContact CD1-CB 4.34Å; I42-V65 HydrophobicContact CG1-CB 3.83Å; I42-V65 HydrophobicContact CG1-CG1 4.02Å; I42-V65 HydrophobicContact CG1-CG2 3.9Å; L61-V65 HydrophobicContact CD1-CG2 3.73Å; L61-V65 HydrophobicContact CG-CG2 4.34Å; L61-V65 WeakPolarHBondContact O-CG2 3.36Å; L61-V65 PolarHBondContact O-N 2.62Å; C63-V65 PolarHBondContact O-N 2.93Å; V65-S67 VanDerWaalsContact C-N 3.35Å; V65-S67 PolarHBondContact O-N 2.93Å; V65-K68 WeakPolarHBondContact O-CB 3.24Å; V65-K68 PolarHBondContact O-N 2.93Å; V65-Y69 HydrophobicContact CG1-CD2 3.87Å; V65-Y69 HydrophobicContact CG1-CE2 3.78Å; V65-Y69 VanDerWaalsContact O-CD2 3.31Å; V65-Y69 WeakPolarHBondContact O-CD2 3.42Å; V65-Y69 PolarHBondContact O-N 3.31Å
66	S	89.8	Confident	87.2	Confident	5 Å²	5	73.7 Å²	73.7	4%	0.035	39%	0.392	C	S	.	.	H	α-helix	trans	-65.2	-39.2	177.1	-59	0	0	0	0	112	K62 C63 Y69 G70 L71 P75	K62-S66 WeakPolarHBondContact O-CB 3.45Å; K62-S66 PolarHBondContact O-N 3Å; K62-S66 PolarHBondContact O-OG 2.75Å; C63-S66 PolarHBondContact O-N 3.13Å; S66-Y69 PolarHBondContact O-N 3.3Å; S66-G70 PolarHBondContact O-N 3.03Å; S66-G70 VanDerWaalsContact O-N 3.13Å; S66-L71 PolarHBondContact O-N 3.36Å; S66-P75 WeakPolarHBondContact OG-CD 3.17Å
67	S	89.4	Confident	87.4	Confident	94 Å²	94	73 Å²	73	66%	0.657	39%	0.387	S	S	*	.	H	α-helix	trans	-64.9	-41.2	173.7	-66.6	0	0	0	0	112	C63 A64 V65 Y69 G70	C63-S67 WeakPolarHBondContact O-CB 3.32Å; C63-S67 PolarHBondContact O-N 3.35Å; C63-S67 PolarHBondContact O-OG 3.39Å; A64-S67 PolarHBondContact O-N 3.35Å; V65-S67 VanDerWaalsContact C-N 3.35Å; V65-S67 PolarHBondContact O-N 2.93Å; S67-Y69 VanDerWaalsContact C-N 3.27Å; S67-Y69 PolarHBondContact O-N 3.49Å; S67-G70 PolarHBondContact O-N 2.95Å; S67-G70 VanDerWaalsContact O-N 3.13Å
68	K	89.7	Confident	87.3	Confident	134 Å²	134	70.5 Å²	70.5	58%	0.583	37%	0.374	S	S	*	.	H	α-helix	trans	-57.2	-38	176.8	-176.9	-172.5	177.6	-165.8	0	112.8	E41 A64 V65	E41-K68 IonicContact OE1-NZ 2.69Å; E41-K68 PolarHBondContact OE1-NZ 3.14Å; E41-K68 IonicContact OE2-NZ 2.81Å; E41-K68 PolarHBondContact OE2-NZ 2.97Å; A64-K68 PolarHBondContact O-N 3.36Å; V65-K68 WeakPolarHBondContact O-CB 3.24Å; V65-K68 PolarHBondContact O-N 2.93Å
69	Y	88	Confident	87.3	Confident	62 Å²	62	70.8 Å²	70.8	24%	0.243	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	5.1	178.9	-69.9	-75.8	0	0	0	114.2	L34 R37 T38 E41 V65 S66 S67 L71	L34-Y69 HydrophobicContact CD2-CD1 4.14Å; R37-Y69 HydrophobicContact CB-CE1 4.18Å; T38-Y69 HydrophobicContact CG2-CD2 4.27Å; T38-Y69 WeakPolarHBondContact OG1-CB 3.45Å; T38-Y69 VanDerWaalsContact OG1-CD2 3.24Å; T38-Y69 WeakPolarHBondContact OG1-CD2 3.48Å; E41-Y69 HydrophobicContact CB-CE2 4.34Å; E41-Y69 WeakPolarHBondContact OE2-CE2 3.35Å; E41-Y69 VanDerWaalsContact OE2-CZ 3.22Å; E41-Y69 PolarHBondContact OE2-OH 3.4Å; V65-Y69 HydrophobicContact CG1-CD2 3.87Å; V65-Y69 HydrophobicContact CG1-CE2 3.78Å; V65-Y69 VanDerWaalsContact O-CD2 3.31Å; V65-Y69 WeakPolarHBondContact O-CD2 3.42Å; V65-Y69 PolarHBondContact O-N 3.31Å; S66-Y69 PolarHBondContact O-N 3.3Å; S67-Y69 VanDerWaalsContact C-N 3.27Å; S67-Y69 PolarHBondContact O-N 3.49Å; Y69-L71 VanDerWaalsContact C-N 3.28Å; Y69-L71 PolarHBondContact O-N 3.5Å
70	G	85.7	Confident	87.5	Confident	65 Å²	65	65.8 Å²	65.8	67%	0.67	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	28.5	179.1	0	0	0	0	0	114.5	S66 S67	S66-G70 PolarHBondContact O-N 3.03Å; S66-G70 VanDerWaalsContact O-N 3.13Å; S67-G70 PolarHBondContact O-N 2.95Å; S67-G70 VanDerWaalsContact O-N 3.13Å
71	L	84.7	Confident	87.3	Confident	33 Å²	33	58.9 Å²	58.9	17%	0.173	32%	0.32	C	S	.	.			trans	-70	134.2	-179.4	-73.6	179	0	0	0	111.7	L34 M35 T38 S66 Y69 S73 P75	L34-L71 HydrophobicContact CB-CD2 4.15Å; M35-L71 HydrophobicContact CE-CD1 3.94Å; M35-L71 HydrophobicContact CE-CD2 4.13Å; M35-L71 HydrophobicContact SD-CD1 3.91Å; T38-L71 HydrophobicContact CG2-CD1 3.58Å; T38-L71 VanDerWaalsContact OG1-CD1 3.25Å; T38-L71 WeakPolarHBondContact OG1-CD1 3.48Å; S66-L71 PolarHBondContact O-N 3.36Å; Y69-L71 VanDerWaalsContact C-N 3.28Å; Y69-L71 PolarHBondContact O-N 3.5Å; L71-S73 WeakPolarHBondContact CB-O 3.17Å; L71-S73 PolarHBondContact O-N 2.87Å; L71-P75 HydrophobicContact CD1-CG 4.41Å
72	K	83.3	Confident	87.1	Confident	219 Å²	219	61 Å²	61	95%	0.952	34%	0.34	S	S	*	.	S	Bend	trans	-64.6	-25	174.3	-67.5	-175.2	178.3	-177.9	0	113.3
73	S	84.7	Confident	87.1	Confident	76 Å²	76	61.7 Å²	61.7	53%	0.531	35%	0.351	S	S	.	.	S	Bend	trans	-143	148.2	-179.4	61.4	0	0	0	0	110.5	L71	L71-S73 WeakPolarHBondContact CB-O 3.17Å; L71-S73 PolarHBondContact O-N 2.87Å
74	Q	86.9	Confident	87	Confident	82 Å²	82	59.2 Å²	59.2	38%	0.383	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-71.1	146	176.5	-63.6	178.9	8.4	0	0	110.8	C63 R76	C63-Q74 PolarHBondContact SG-NE2 3.39Å; Q74-R76 PolarHBondContact O-N 3.45Å
75	P	86.2	Confident	86.9	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-53	141.9	171.5	-24.7	30.9	0	0	0	111.9	M35 T38 V39 I42 K62 S66 L71 I80	M35-P75 HydrophobicContact SD-CB 3.95Å; M35-P75 HydrophobicContact SD-CG 3.74Å; T38-P75 HydrophobicContact CG2-CG 3.76Å; V39-P75 HydrophobicContact CG2-CB 3.68Å; V39-P75 HydrophobicContact CG2-CG 3.99Å; I42-P75 HydrophobicContact CD1-CG 3.91Å; K62-P75 WeakPolarHBondContact CE-O 3.44Å; K62-P75 PolarHBondContact NZ-O 2.99Å; S66-P75 WeakPolarHBondContact OG-CD 3.17Å; L71-P75 HydrophobicContact CD1-CG 4.41Å; P75-I80 HydrophobicContact CB-CD1 4.46Å; P75-I80 HydrophobicContact CB-CG1 4.27Å
76	R	86.1	Confident	86.7	Confident	166 Å²	166	65.1 Å²	65.1	63%	0.626	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-75.3	151.8	175.2	-53.5	168.6	-62.3	-177.3	3.7	108.2	Q74 V78 D79 I80	Q74-R76 PolarHBondContact O-N 3.45Å; R76-V78 PolarHBondContact O-N 3.22Å; R76-D79 VanDerWaalsContact CB-OD2 3.24Å; R76-D79 WeakPolarHBondContact CB-OD2 3.33Å; R76-D79 IonicContact CZ-OD1 2.9Å; R76-D79 IonicContact CZ-OD2 3.1Å; R76-D79 PolarHBondContact N-OD2 3.13Å; R76-D79 IonicContact NE-OD1 3.6Å; R76-D79 IonicContact NE-OD2 2.85Å; R76-D79 PolarHBondContact NE-OD2 3.35Å; R76-D79 IonicContact NH2-OD1 2.88Å; R76-D79 PolarHBondContact NH2-OD1 3.24Å; R76-D79 IonicContact NH2-OD2 3.78Å; R76-D79 PolarHBondContact NH2-OD2 2.68Å; R76-D79 WeakPolarHBondContact O-CB 3.3Å; R76-D79 PolarHBondContact O-N 2.69Å; R76-I80 PolarHBondContact O-N 3.41Å
77	L	86.2	Confident	86.6	Confident	42 Å²	42	69.1 Å²	69.1	22%	0.22	38%	0.383	C	S	.	.	H	α-helix	trans	-57.3	-34.1	177.9	-177.9	60	0	0	0	112.4	L58 D79 I80 I81 L96 A98	L58-L77 HydrophobicContact CD2-CD1 3.81Å; L77-D79 VanDerWaalsContact C-N 3.31Å; L77-D79 PolarHBondContact O-N 3.45Å; L77-I80 PolarHBondContact O-N 3.46Å; L77-I81 HydrophobicContact CD1-CD1 4.31Å; L77-I81 HydrophobicContact CD1-CG1 4.39Å; L77-I81 HydrophobicContact CG-CD1 3.9Å; L77-I81 HydrophobicContact CG-CG1 4.41Å; L77-I81 WeakPolarHBondContact O-CB 3.4Å; L77-I81 WeakPolarHBondContact O-CG1 3.33Å; L77-I81 PolarHBondContact O-N 3.31Å; L77-L96 HydrophobicContact CD1-CB 4.45Å; L77-L96 HydrophobicContact CD1-CD2 4.43Å; L77-L96 WeakPolarHBondContact CD2-O 3.38Å; L77-A98 HydrophobicContact CD2-CB 3.79Å
78	V	83.2	Confident	86.4	Confident	34 Å²	34	67.9 Å²	67.9	21%	0.206	37%	0.365	C	S	.	.	H	α-helix	trans	-60.6	-39.8	175.5	176.7	0	0	0	0	111.9	R76 I81 A82 Q177 L178	R76-V78 PolarHBondContact O-N 3.22Å; V78-I81 PolarHBondContact O-N 3.13Å; V78-A82 WeakPolarHBondContact O-CB 3.39Å; V78-A82 PolarHBondContact O-N 2.92Å; V78-Q177 HydrophobicContact CG1-CB 3.73Å; V78-Q177 HydrophobicContact CG1-CG 4.08Å; V78-Q177 HydrophobicContact CG2-CB 4.26Å; V78-L178 HydrophobicContact CG2-CD2 3.78Å; V78-L178 HydrophobicContact CG2-CG 4.42Å
79	D	86.6	Confident	86.1	Confident	43 Å²	43	65.7 Å²	65.7	23%	0.23	35%	0.353	C	S	.	.	H	α-helix	trans	-69.3	-39.4	-179.4	-52.7	-45.3	0	0	0	109.9	V39 R76 L77 A82 A83	V39-D79 HydrophobicContact CG2-CB 4.22Å; R76-D79 VanDerWaalsContact CB-OD2 3.24Å; R76-D79 WeakPolarHBondContact CB-OD2 3.33Å; R76-D79 IonicContact CZ-OD1 2.9Å; R76-D79 IonicContact CZ-OD2 3.1Å; R76-D79 PolarHBondContact N-OD2 3.13Å; R76-D79 IonicContact NE-OD1 3.6Å; R76-D79 IonicContact NE-OD2 2.85Å; R76-D79 PolarHBondContact NE-OD2 3.35Å; R76-D79 IonicContact NH2-OD1 2.88Å; R76-D79 PolarHBondContact NH2-OD1 3.24Å; R76-D79 IonicContact NH2-OD2 3.78Å; R76-D79 PolarHBondContact NH2-OD2 2.68Å; R76-D79 WeakPolarHBondContact O-CB 3.3Å; R76-D79 PolarHBondContact O-N 2.69Å; L77-D79 VanDerWaalsContact C-N 3.31Å; L77-D79 PolarHBondContact O-N 3.45Å; D79-A82 PolarHBondContact O-N 3.09Å; D79-A83 PolarHBondContact O-N 3.12Å
80	I	88.8	Confident	85.7	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-63.3	-48.4	174.4	-59.5	169.1	0	0	0	110.9	I42 V43 L46 L58 K62 P75 R76 L77 A82 A83 V84 L96	I42-I80 HydrophobicContact CD1-CD1 4.44Å; I42-I80 HydrophobicContact CG2-CD1 4.15Å; I42-I80 HydrophobicContact CG2-CG1 4.36Å; I42-I80 HydrophobicContact CG2-CG2 4.13Å; V43-I80 HydrophobicContact CG2-CG2 4.06Å; L46-I80 HydrophobicContact CD1-CG2 4.24Å; L58-I80 HydrophobicContact CD1-CD1 4.46Å; K62-I80 HydrophobicContact CD-CD1 3.85Å; K62-I80 HydrophobicContact CG-CD1 3.89Å; P75-I80 HydrophobicContact CB-CD1 4.46Å; P75-I80 HydrophobicContact CB-CG1 4.27Å; R76-I80 PolarHBondContact O-N 3.41Å; L77-I80 PolarHBondContact O-N 3.46Å; I80-A82 VanDerWaalsContact C-N 3.33Å; I80-A82 PolarHBondContact O-N 3.07Å; I80-A83 PolarHBondContact O-N 3.06Å; I80-V84 WeakPolarHBondContact O-CG2 3.15Å; I80-V84 PolarHBondContact O-N 3Å; I80-L96 HydrophobicContact CG2-CD1 4.28Å
81	I	85.8	Confident	85.6	Confident	11 Å²	11	67.2 Å²	67.2	6%	0.056	36%	0.356	C	S	.	.	H	α-helix	trans	-60.1	-43.2	178.9	-75.1	172	0	0	0	111.2	L77 V78 A83 V84 L93 L96	L77-I81 HydrophobicContact CD1-CD1 4.31Å; L77-I81 HydrophobicContact CD1-CG1 4.39Å; L77-I81 HydrophobicContact CG-CD1 3.9Å; L77-I81 HydrophobicContact CG-CG1 4.41Å; L77-I81 WeakPolarHBondContact O-CB 3.4Å; L77-I81 WeakPolarHBondContact O-CG1 3.33Å; L77-I81 PolarHBondContact O-N 3.31Å; V78-I81 PolarHBondContact O-N 3.13Å; I81-A83 VanDerWaalsContact C-N 3.27Å; I81-A83 PolarHBondContact O-N 3.25Å; I81-V84 PolarHBondContact O-N 2.87Å; I81-L93 HydrophobicContact CG1-CD2 4.47Å; I81-L93 HydrophobicContact CG2-CD2 3.65Å; I81-L96 HydrophobicContact CD1-CB 4.45Å; I81-L96 HydrophobicContact CG1-CB 4.05Å; I81-L96 HydrophobicContact CG1-CD1 4.44Å
82	A	86.2	Confident	85.6	Confident	65 Å²	65	65.9 Å²	65.9	54%	0.537	35%	0.349	S	S	.	.	H	α-helix	trans	-62.7	-35	-179.7	0	0	0	0	0	112.4	V78 D79 I80 V84	V78-A82 WeakPolarHBondContact O-CB 3.39Å; V78-A82 PolarHBondContact O-N 2.92Å; D79-A82 PolarHBondContact O-N 3.09Å; I80-A82 VanDerWaalsContact C-N 3.33Å; I80-A82 PolarHBondContact O-N 3.07Å; A82-V84 VanDerWaalsContact C-N 3.34Å
83	A	88.6	Confident	85.5	Confident	42 Å²	42	57.4 Å²	57.4	35%	0.347	31%	0.313	S	S	.	.	H	α-helix	trans	-80.2	-7.4	-179.8	0	0	0	0	0	114.6	V39 V43 D79 I80 I81 P85	V39-A83 HydrophobicContact CG1-CB 3.34Å; V43-A83 HydrophobicContact CG2-CB 3.98Å; D79-A83 PolarHBondContact O-N 3.12Å; I80-A83 PolarHBondContact O-N 3.06Å; I81-A83 VanDerWaalsContact C-N 3.27Å; I81-A83 PolarHBondContact O-N 3.25Å; A83-P85 WeakPolarHBondContact O-CD 3.37Å
84	V	88.6	Confident	85.2	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.012	31%	0.313	C	S	.	.	S	Bend	trans	-66	122.5	176.6	179	0	0	0	0	110.4	V43 I80 I81 A82 R89 L92 L96	V43-V84 HydrophobicContact CG2-CG2 4.46Å; I80-V84 WeakPolarHBondContact O-CG2 3.15Å; I80-V84 PolarHBondContact O-N 3Å; I81-V84 PolarHBondContact O-N 2.87Å; A82-V84 VanDerWaalsContact C-N 3.34Å; V84-R89 HydrophobicContact CB-CG 4.25Å; V84-R89 HydrophobicContact CG1-CG 3.81Å; V84-R89 PolarHBondContact O-NE 3.23Å; V84-R89 VanDerWaalsContact O-NE 3.12Å; V84-L92 HydrophobicContact CG1-CB 4.14Å; V84-L92 HydrophobicContact CG1-CD1 4.04Å; V84-L96 HydrophobicContact CG2-CD1 3.84Å
85	P	87.5	Confident	84.8	Confident	54 Å²	54	59.8 Å²	59.8	35%	0.351	32%	0.321	S	S	.	.			trans	-58.9	146.1	176.3	-23.1	33.1	0	0	0	112.2	I47 A83 S87 Y88 R89	I47-P85 HydrophobicContact CD1-CG 3.98Å; A83-P85 WeakPolarHBondContact O-CD 3.37Å; P85-S87 PolarHBondContact O-N 3.26Å; P85-S87 VanDerWaalsContact O-N 3.11Å; P85-Y88 HydrophobicContact CB-CD2 4.46Å; P85-Y88 PolarHBondContact O-N 3.37Å; P85-R89 WeakPolarHBondContact O-CG 3.15Å; P85-R89 PolarHBondContact O-N 3.12Å
86	Q	84.9	Confident	84.6	Confident	137 Å²	137	60.2 Å²	60.2	64%	0.64	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-55.5	-34.7	-175.6	-172.8	63.5	27.2	0	0	113.2	Y88 R89	Q86-Y88 VanDerWaalsContact C-N 3.34Å; Q86-Y88 PolarHBondContact O-N 3.46Å; Q86-R89 PolarHBondContact O-N 3.25Å
87	S	87	Confident	84.2	Confident	89 Å²	89	55.2 Å²	55.2	62%	0.622	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-63.3	-34.4	177.6	49.9	0	0	0	0	113.8	P85	P85-S87 PolarHBondContact O-N 3.26Å; P85-S87 VanDerWaalsContact O-N 3.11Å
88	Y	86.7	Confident	83.7	Confident	69 Å²	69	54.3 Å²	54.3	27%	0.271	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-97.8	-3.6	-177.9	-71.4	-83.3	0	0	0	113.5	I47 P85 Q86 T90 V91 L92	I47-Y88 HydrophobicContact CD1-CD2 3.9Å; I47-Y88 HydrophobicContact CD1-CE2 4.26Å; I47-Y88 HydrophobicContact CD1-CG 4.25Å; I47-Y88 HydrophobicContact CG1-CD1 4.23Å; I47-Y88 HydrophobicContact CG1-CD2 4.09Å; I47-Y88 HydrophobicContact CG1-CE2 4.45Å; I47-Y88 HydrophobicContact CG1-CG 3.97Å; I47-Y88 HydrophobicContact CG2-CD1 4.15Å; I47-Y88 HydrophobicContact CG2-CD2 4.29Å; I47-Y88 HydrophobicContact CG2-CE1 3.67Å; I47-Y88 HydrophobicContact CG2-CE2 3.82Å; I47-Y88 HydrophobicContact CG2-CG 4.44Å; I47-Y88 VanDerWaalsContact CG2-CZ 3.49Å; P85-Y88 HydrophobicContact CB-CD2 4.46Å; P85-Y88 PolarHBondContact O-N 3.37Å; Q86-Y88 VanDerWaalsContact C-N 3.34Å; Q86-Y88 PolarHBondContact O-N 3.46Å; Y88-T90 VanDerWaalsContact C-N 3.33Å; Y88-T90 PolarHBondContact O-N 2.9Å; Y88-V91 PolarHBondContact O-N 3.47Å; Y88-L92 PolarHBondContact O-N 3.26Å
89	R	82.2	Confident	83.3	Confident	87 Å²	87	59.1 Å²	59.1	33%	0.328	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-38.7	-177.2	-82.8	-174.2	-177.9	171.9	-9	113.2	V84 P85 Q86 V91 L93	V84-R89 HydrophobicContact CB-CG 4.25Å; V84-R89 HydrophobicContact CG1-CG 3.81Å; V84-R89 PolarHBondContact O-NE 3.23Å; V84-R89 VanDerWaalsContact O-NE 3.12Å; P85-R89 WeakPolarHBondContact O-CG 3.15Å; P85-R89 PolarHBondContact O-N 3.12Å; Q86-R89 PolarHBondContact O-N 3.25Å; R89-V91 PolarHBondContact O-N 3.39Å; R89-L93 HydrophobicContact CB-CD1 3.79Å; R89-L93 HydrophobicContact CB-CG 4.12Å; R89-L93 HydrophobicContact CG-CD1 4.04Å; R89-L93 HydrophobicContact CG-CG 4.27Å; R89-L93 WeakPolarHBondContact O-CB 3.36Å; R89-L93 WeakPolarHBondContact O-CG 3.44Å; R89-L93 PolarHBondContact O-N 3.44Å
90	T	79.6	Confident	82.7	Confident	115 Å²	115	59.7 Å²	59.7	71%	0.706	33%	0.329	S	S	*	.	H	α-helix	trans	-61.3	-31.6	179.2	46.3	0	0	0	0	112.6	Y88 P94	Y88-T90 VanDerWaalsContact C-N 3.33Å; Y88-T90 PolarHBondContact O-N 2.9Å; T90-P94 WeakPolarHBondContact O-CD 2.89Å; T90-P94 WeakPolarHBondContact O-CG 3.49Å
91	V	83.1	Confident	82	Confident	45 Å²	45	62.2 Å²	62.2	27%	0.273	34%	0.344	S	S	.	.	H	α-helix	trans	-91.1	-49.4	-178.7	179.6	0	0	0	0	112	H50 Y88 R89 P94	H50-V91 WeakPolarHBondContact CE1-CG1 3.32Å; H50-V91 WeakPolarHBondContact ND1-CG1 3.38Å; H50-V91 WeakPolarHBondContact NE2-CG1 3.5Å; Y88-V91 PolarHBondContact O-N 3.47Å; R89-V91 PolarHBondContact O-N 3.39Å; V91-P94 WeakPolarHBondContact O-CD 3.46Å
92	L	84.7	Confident	81.5	Confident	5 Å²	5	66.2 Å²	66.2	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-81.6	-32	-170.5	-67.2	-178.6	0	0	0	112.7	L46 I47 H50 V84 Y88 K95 L96	L46-L92 HydrophobicContact CB-CD1 4.35Å; L46-L92 HydrophobicContact CB-CD2 4.38Å; I47-L92 HydrophobicContact CG1-CD1 3.84Å; H50-L92 HydrophobicContact CB-CD2 4.38Å; V84-L92 HydrophobicContact CG1-CB 4.14Å; V84-L92 HydrophobicContact CG1-CD1 4.04Å; Y88-L92 PolarHBondContact O-N 3.26Å; L92-K95 PolarHBondContact O-N 3.3Å; L92-K95 VanDerWaalsContact O-N 3.13Å; L92-L96 HydrophobicContact CB-CD1 4.19Å; L92-L96 WeakPolarHBondContact O-CB 3.21Å; L92-L96 VanDerWaalsContact O-CG 3.3Å; L92-L96 WeakPolarHBondContact O-CG 3.21Å; L92-L96 PolarHBondContact O-N 3.38Å
93	L	81.2	Confident	80.7	Confident	40 Å²	40	63.7 Å²	63.7	21%	0.209	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-44	-179.4	-68.4	176.8	0	0	0	113.1	I81 R89 K95 L96 K97	I81-L93 HydrophobicContact CG1-CD2 4.47Å; I81-L93 HydrophobicContact CG2-CD2 3.65Å; R89-L93 HydrophobicContact CB-CD1 3.79Å; R89-L93 HydrophobicContact CB-CG 4.12Å; R89-L93 HydrophobicContact CG-CD1 4.04Å; R89-L93 HydrophobicContact CG-CG 4.27Å; R89-L93 WeakPolarHBondContact O-CB 3.36Å; R89-L93 WeakPolarHBondContact O-CG 3.44Å; R89-L93 PolarHBondContact O-N 3.44Å; L93-K95 VanDerWaalsContact C-N 3.25Å; L93-K95 PolarHBondContact O-N 3.05Å; L93-L96 PolarHBondContact O-N 3.43Å; L93-K97 WeakPolarHBondContact O-CB 3.46Å; L93-K97 PolarHBondContact O-N 2.95Å
94	P	78.6	Confident	79.7	Confident	79 Å²	79	62.4 Å²	62.4	51%	0.513	33%	0.325	S	S	.	.	H	α-helix	trans	-55.2	-39.3	173.1	-27.7	35.5	0	0	0	113.4	T90 V91	T90-P94 WeakPolarHBondContact O-CD 2.89Å; T90-P94 WeakPolarHBondContact O-CG 3.49Å; V91-P94 WeakPolarHBondContact O-CD 3.46Å
95	K	79.7	Confident	78.7	Confident	129 Å²	129	63.2 Å²	63.2	56%	0.561	33%	0.332	S	S	*	.	H	α-helix	trans	-75.3	-31.9	179.4	-62.6	-171.2	177.9	-167	0	113.3	L92 L93	L92-K95 PolarHBondContact O-N 3.3Å; L92-K95 VanDerWaalsContact O-N 3.13Å; L93-K95 VanDerWaalsContact C-N 3.25Å; L93-K95 PolarHBondContact O-N 3.05Å
96	L	81.5	Confident	78	Confident	11 Å²	11	62.1 Å²	62.1	6%	0.058	33%	0.33	C	S	.	.	H	α-helix	trans	-90.7	-8.9	-178.7	-66.4	175	0	0	0	113.6	L46 L58 L77 I80 I81 V84 L92 L93 A98	L46-L96 HydrophobicContact CD1-CD1 4.33Å; L46-L96 HydrophobicContact CD1-CD2 3.97Å; L58-L96 HydrophobicContact CD1-CD2 4.03Å; L58-L96 HydrophobicContact CD2-CD2 3.69Å; L58-L96 HydrophobicContact CG-CD2 4.47Å; L77-L96 HydrophobicContact CD1-CB 4.45Å; L77-L96 HydrophobicContact CD1-CD2 4.43Å; L77-L96 WeakPolarHBondContact CD2-O 3.38Å; I80-L96 HydrophobicContact CG2-CD1 4.28Å; I81-L96 HydrophobicContact CD1-CB 4.45Å; I81-L96 HydrophobicContact CG1-CB 4.05Å; I81-L96 HydrophobicContact CG1-CD1 4.44Å; V84-L96 HydrophobicContact CG2-CD1 3.84Å; L92-L96 HydrophobicContact CB-CD1 4.19Å; L92-L96 WeakPolarHBondContact O-CB 3.21Å; L92-L96 VanDerWaalsContact O-CG 3.3Å; L92-L96 WeakPolarHBondContact O-CG 3.21Å; L92-L96 PolarHBondContact O-N 3.38Å; L93-L96 PolarHBondContact O-N 3.43Å; L96-A98 PolarHBondContact O-N 2.81Å
97	K	77.3	Confident	77.9	Confident	60 Å²	60	56.2 Å²	56.2	26%	0.261	30%	0.303	S	S	.	.			trans	-61.6	124	-175.4	-172.7	179.1	-67.7	173	0	111.3	L93 K99 P100 G179	L93-K97 WeakPolarHBondContact O-CB 3.46Å; L93-K97 PolarHBondContact O-N 2.95Å; K97-K99 PolarHBondContact O-N 2.9Å; K97-P100 HydrophobicContact CD-CB 4.46Å; K97-G179 WeakPolarHBondContact CE-O 3.42Å
98	A	75.5	Confident	78.1	Confident	23 Å²	23	52 Å²	52	19%	0.19	27%	0.273	C	S	.	.	S	Bend	trans	-71.4	128.1	176.7	0	0	0	0	0	111.1	L77 L96 L178 H180	L77-A98 HydrophobicContact CD2-CB 3.79Å; L96-A98 PolarHBondContact O-N 2.81Å; A98-L178 HydrophobicContact CB-CB 4.49Å; A98-L178 HydrophobicContact CB-CD2 4.06Å; A98-H180 PolarHBondContact O-CE1 2.96Å; A98-H180 PolarHBondContact O-NE2 3.41Å
99	K	76.1	Confident	78.4	Confident	136 Å²	136	51.5 Å²	51.5	59%	0.591	28%	0.277	S	S	*	.	S	Bend	trans	49.4	66.9	175.3	-61.9	-174	175.2	-169.6	0	111.8	K97 V101 R102	K97-K99 PolarHBondContact O-N 2.9Å; K99-V101 PolarHBondContact O-N 3.1Å; K99-R102 HydrophobicContact CB-CG 4.11Å; K99-R102 WeakPolarHBondContact O-CB 3.4Å; K99-R102 WeakPolarHBondContact O-CG 3.36Å; K99-R102 PolarHBondContact O-N 3.09Å
100	P	73.5	Confident	79.1	Confident	54 Å²	54	47.3 Å²	47.3	35%	0.351	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-53.5	-30.4	-172.8	20.7	-33.7	0	0	0	113.7	K97 R102 T103 A104 L431	K97-P100 HydrophobicContact CD-CB 4.46Å; P100-R102 PolarHBondContact O-N 3.04Å; P100-T103 PolarHBondContact O-N 2.76Å; P100-T103 VanDerWaalsContact O-N 3.13Å; P100-A104 PolarHBondContact O-N 2.82Å; P100-L431 HydrophobicContact CB-CD1 4.22Å; P100-L431 HydrophobicContact CG-CD1 3.8Å; P100-L431 HydrophobicContact CG-CD2 4.27Å
101	V	74.1	Confident	79.9	Confident	53 Å²	53	42.7 Å²	42.7	32%	0.321	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-49.8	-26.4	173.1	72.9	0	0	0	0	114.3	K99 T103 I428 L431	K99-V101 PolarHBondContact O-N 3.1Å; V101-T103 VanDerWaalsContact C-N 3.26Å; V101-T103 PolarHBondContact O-N 2.85Å; V101-I428 HydrophobicContact CG2-CD1 3.86Å; V101-L431 HydrophobicContact CB-CD2 4.1Å
102	R	74.6	Confident	80.6	Confident	96 Å²	96	40.6 Å²	40.6	36%	0.362	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-65	-26	-178.9	-74.9	-177.5	167.9	178.3	-1.3	114.4	K99 P100	K99-R102 HydrophobicContact CB-CG 4.11Å; K99-R102 WeakPolarHBondContact O-CB 3.4Å; K99-R102 WeakPolarHBondContact O-CG 3.36Å; K99-R102 PolarHBondContact O-N 3.09Å; P100-R102 PolarHBondContact O-N 3.04Å
103	T	70.3	Confident	81.2	Confident	12 Å²	12	40.3 Å²	40.3	7%	0.074	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-133.4	20.2	179.1	56.8	0	0	0	0	111.4	P100 V101 S105 G106 H180	P100-T103 PolarHBondContact O-N 2.76Å; P100-T103 VanDerWaalsContact O-N 3.13Å; V101-T103 VanDerWaalsContact C-N 3.26Å; V101-T103 PolarHBondContact O-N 2.85Å; T103-S105 PolarHBondContact O-N 3.01Å; T103-G106 WeakPolarHBondContact O-CA 3.42Å; T103-G106 PolarHBondContact O-N 2.95Å; T103-H180 HydrophobicContact CG2-CB 3.85Å; T103-H180 WeakPolarHBondContact CG2-ND1 3.3Å; T103-H180 PolarHBondContact OG1-ND1 2.84Å
104	A	67.4	Low	81.8	Confident	14 Å²	14	38.4 Å²	38.4	12%	0.116	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.3	178.8	0	0	0	0	0	112	P100 G106 I428	P100-A104 PolarHBondContact O-N 2.82Å; A104-G106 PolarHBondContact O-N 3.16Å; A104-I428 HydrophobicContact CB-CD1 4.05Å
105	S	66.9	Low	82.6	Confident	20 Å²	20	38.3 Å²	38.3	14%	0.14	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	1.2	171.5	63.5	0	0	0	0	113.9	T103	T103-S105 PolarHBondContact O-N 3.01Å
106	G	72.6	Confident	83.3	Confident	30 Å²	30	33.5 Å²	33.5	31%	0.309	18%	0.184	S	C	.	.	S	Bend	trans	77.3	14.6	-177.6	0	0	0	0	0	115.4	T103 A104	T103-G106 WeakPolarHBondContact O-CA 3.42Å; T103-G106 PolarHBondContact O-N 2.95Å; A104-G106 PolarHBondContact O-N 3.16Å
107	I	84.3	Confident	83.9	Confident	14 Å²	14	34.2 Å²	34.2	7%	0.072	19%	0.187	C	C	.	.			trans	-127.3	134.4	-176.4	-63	164.9	0	0	0	110.2	E186 I236 H497	I107-E186 HydrophobicContact CG2-CB 3.72Å; I107-I236 HydrophobicContact CB-CD1 4.19Å; I107-I236 HydrophobicContact CD1-CD1 3.37Å; I107-I236 HydrophobicContact CG1-CD1 3.47Å; I107-I236 VanDerWaalsContact CG1-CD1 3.47Å; I107-I236 HydrophobicContact CG2-CD1 3.66Å; I107-I236 HydrophobicContact CG2-CG1 4.38Å; I107-H497 WeakPolarHBondContact CD1-CE1 3.3Å
108	A	89.8	Confident	84.6	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	110.1	170.8	0	0	0	0	0	110.6	L175 V182 K184 V185 E186	A108-L175 HydrophobicContact CB-CD1 4.04Å; A108-V182 HydrophobicContact CB-CB 4.37Å; A108-V182 HydrophobicContact CB-CG1 4.13Å; A108-K184 PolarHBondContact N-O 3.43Å; A108-V185 HydrophobicContact CB-CG2 4.29Å; A108-V185 WeakPolarHBondContact O-CA 3.02Å; A108-E186 PolarHBondContact O-N 3.24Å
109	V	93.2	Very high	85.5	Confident	57 Å²	57	36.6 Å²	36.6	35%	0.345	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	120.9	175.2	-178.7	0	0	0	0	110.3	E186 I188	V109-E186 WeakPolarHBondContact CA-O 3.34Å; V109-I188 HydrophobicContact CG1-CD1 3.42Å; V109-I188 VanDerWaalsContact CG1-CD1 3.42Å; V109-I188 HydrophobicContact CG1-CG1 3.93Å
110	V	96.6	Very high	86.3	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	99	179.5	179.1	0	0	0	0	109.2	V112 R171 I172 L175 V185 E186 Y187 I188	V110-V112 HydrophobicContact CG1-CG1 4.21Å; V110-R171 HydrophobicContact CB-CG 4.39Å; V110-R171 HydrophobicContact CG1-CB 3.96Å; V110-R171 HydrophobicContact CG1-CG 3.84Å; V110-R171 HydrophobicContact CG2-CG 4.18Å; V110-I172 HydrophobicContact CG2-CG1 4.01Å; V110-L175 HydrophobicContact CG2-CD1 4.27Å; V110-V185 HydrophobicContact CB-CG1 4.05Å; V110-V185 HydrophobicContact CG2-CG1 3.7Å; V110-E186 PolarHBondContact N-O 3.29Å; V110-Y187 HydrophobicContact CB-CD1 3.76Å; V110-Y187 HydrophobicContact CB-CE1 3.89Å; V110-Y187 HydrophobicContact CG1-CD1 3.75Å; V110-Y187 HydrophobicContact CG1-CE1 3.58Å; V110-Y187 WeakPolarHBondContact O-CA 3.22Å; V110-I188 PolarHBondContact O-N 3.41Å
111	A	96.8	Very high	87.2	Confident	18 Å²	18	28.9 Å²	28.9	15%	0.149	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.5	175	0	0	0	0	0	110.8	T153 I188 M190	A111-T153 HydrophobicContact CB-CG2 4.01Å; A111-T153 WeakPolarHBondContact O-CG2 3.21Å; A111-I188 WeakPolarHBondContact CA-O 3.44Å; A111-I188 HydrophobicContact CB-CB 4.32Å; A111-M190 HydrophobicContact CB-CE 3.83Å; A111-M190 HydrophobicContact CB-SD 3.86Å
112	V	97.4	Very high	88.1	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.4	179.4	-63	0	0	0	0	109.5	V110 Q167 I188 V189 M190 F205 L209	V110-V112 HydrophobicContact CG1-CG1 4.21Å; V112-Q167 HydrophobicContact CG1-CB 4.03Å; V112-I188 PolarHBondContact N-O 3.48Å; V112-V189 HydrophobicContact CG2-CG2 4.25Å; V112-M190 PolarHBondContact O-N 3.25Å; V112-F205 HydrophobicContact CB-CZ 4.35Å; V112-F205 HydrophobicContact CG2-CE1 3.93Å; V112-F205 HydrophobicContact CG2-CZ 3.93Å; V112-L209 HydrophobicContact CB-CD2 4.46Å; V112-L209 HydrophobicContact CG1-CD2 4.1Å; V112-L209 HydrophobicContact CG2-CD1 4.09Å; V112-L209 HydrophobicContact CG2-CD2 4Å
113	M	97	Very high	88.9	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137.1	177.6	-69.6	-178.8	161.3	0	0	110.7	T144 Y147 T153 S154 A157 Y162 Q167 M190 F205	M113-T144 HydrophobicContact CB-CG2 4.39Å; M113-Y147 HydrophobicContact CE-CD1 3.37Å; M113-Y147 HydrophobicContact CE-CD2 3.76Å; M113-Y147 HydrophobicContact CE-CE1 3.52Å; M113-Y147 HydrophobicContact CE-CE2 3.93Å; M113-Y147 HydrophobicContact CE-CG 3.49Å; M113-Y147 VanDerWaalsContact CE-CG 3.49Å; M113-T153 HydrophobicContact CG-CG2 4.48Å; M113-S154 WeakPolarHBondContact CE-OG 3.45Å; M113-S154 VanDerWaalsContact SD-CA 3.54Å; M113-A157 HydrophobicContact CB-CB 3.8Å; M113-A157 HydrophobicContact CG-CB 4.24Å; M113-A157 HydrophobicContact SD-CB 4.05Å; M113-Y162 HydrophobicContact CB-CD1 4.01Å; M113-Y162 HydrophobicContact CB-CE1 3.88Å; M113-Q167 PolarHBondContact O-NE2 2.93Å; M113-M190 HydrophobicContact CE-CE 3.53Å; M113-M190 HydrophobicContact CG-CB 4.16Å; M113-M190 HydrophobicContact CG-CE 3.71Å; M113-M190 HydrophobicContact SD-CE 4.4Å; M113-F205 WeakPolarHBondContact O-CE2 3.49Å
114	C	95.1	Very high	89.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-73.4	168.5	167.6	62	0	0	0	0	111.2	T144 Y162 M190 F194 L197 Y201 F205	C114-T144 WeakPolarHBondContact O-CG2 3.49Å; C114-Y162 WeakPolarHBondContact O-CD1 3.32Å; C114-M190 PolarHBondContact N-O 3.13Å; C114-M190 PolarHBondContact SG-O 3.45Å; C114-F194 HydrophobicContact CB-CD2 3.77Å; C114-F194 HydrophobicContact CB-CE2 4.45Å; C114-L197 HydrophobicContact CB-CD1 4.17Å; C114-Y201 HydrophobicContact CB-CE1 4.31Å; C114-F205 HydrophobicContact CB-CE2 4.16Å; C114-F205 HydrophobicContact CB-CZ 4.34Å
115	K	94.1	Very high	91.1	Very high	76 Å²	76	39.1 Å²	39.1	33%	0.33	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-57	144.7	178.4	65.9	-178.3	175.1	-175.2	0	111.5	H117 L197 Y201	K115-H117 PolarHBondContact O-N 3.18Å; K115-H117 PolarHBondContact O-ND1 3.44Å; K115-L197 HydrophobicContact CG-CD1 4.28Å; K115-L197 HydrophobicContact CG-CD2 4.46Å; K115-Y201 HydrophobicContact CB-CE2 4.41Å; K115-Y201 WeakPolarHBondContact CB-OH 3.47Å; K115-Y201 HydrophobicContact CD-CD2 4Å; K115-Y201 HydrophobicContact CD-CE1 4.27Å; K115-Y201 HydrophobicContact CD-CE2 3.59Å; K115-Y201 HydrophobicContact CD-CG 4.49Å; K115-Y201 HydrophobicContact CG-CE1 4.03Å; K115-Y201 HydrophobicContact CG-CE2 4.01Å; K115-Y201 PolarHBondContact N-OH 3.29Å
116	P	94.7	Very high	92.4	Very high	29 Å²	29	40.6 Å²	40.6	19%	0.188	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-52.7	129.9	166.4	-28.3	36.9	0	0	0	111.2	P136 Y142 S143 T144 Y162	P116-P136 HydrophobicContact CB-CG 4.4Å; P116-Y142 HydrophobicContact CG-CD2 4.49Å; P116-S143 WeakPolarHBondContact CB-O 3.47Å; P116-T144 HydrophobicContact CG-CG2 4.06Å; P116-Y162 VanDerWaalsContact CD-CE2 3.4Å; P116-Y162 HydrophobicContact CG-CD2 4.23Å; P116-Y162 HydrophobicContact CG-CE1 4.36Å; P116-Y162 HydrophobicContact CG-CE2 3.56Å
117	H	93.9	Very high	93.3	Very high	25 Å²	25	44.6 Å²	44.6	12%	0.116	24%	0.238	C	C	.	.			trans	-155.5	160.1	176.8	61.8	-77.8	0	0	0	109.4	K115 T193 L197	K115-H117 PolarHBondContact O-N 3.18Å; K115-H117 PolarHBondContact O-ND1 3.44Å; H117-T193 PolarHBondContact CE1-OG1 2.91Å; H117-T193 PolarHBondContact NE2-O 3.3Å; H117-T193 VanDerWaalsContact NE2-O 3.11Å; H117-T193 PolarHBondContact NE2-OG1 3.31Å; H117-L197 HydrophobicContact CB-CD2 3.81Å; H117-L197 VanDerWaalsContact CG-CD2 3.48Å
118	R	93.4	Very high	93.7	Very high	124 Å²	124	46 Å²	46	47%	0.468	25%	0.247	S	C	.	.			trans	-74.1	142.6	178.7	-68.7	-175	175.9	116.8	1.5	110.7	I122 P136 D137	R118-I122 HydrophobicContact CB-CG2 4.4Å; R118-P136 HydrophobicContact CG-CB 4.46Å; R118-P136 HydrophobicContact CG-CG 4.34Å; R118-D137 WeakPolarHBondContact CD-OD2 3.46Å; R118-D137 WeakPolarHBondContact CG-OD2 3.44Å; R118-D137 IonicContact CZ-OD1 3.28Å; R118-D137 VanDerWaalsContact CZ-OD1 3.28Å; R118-D137 IonicContact CZ-OD2 3.88Å; R118-D137 VanDerWaalsContact NE-CG 3.34Å; R118-D137 IonicContact NE-OD1 2.99Å; R118-D137 PolarHBondContact NE-OD1 3.12Å; R118-D137 IonicContact NE-OD2 2.85Å; R118-D137 PolarHBondContact NE-OD2 2.89Å; R118-D137 IonicContact NH2-OD1 2.71Å; R118-D137 PolarHBondContact NH2-OD1 2.94Å
119	C	93	Very high	93.9	Very high	10 Å²	10	46.2 Å²	46.2	7%	0.068	25%	0.248	C	C	.	.			trans	-60.8	138.3	168.9	-98.3	0	0	0	0	110.5	H121 I122 T193	C119-H121 PolarHBondContact O-N 2.98Å; C119-I122 WeakPolarHBondContact O-CB 3.47Å; C119-I122 WeakPolarHBondContact O-CG2 3.33Å; C119-I122 PolarHBondContact O-N 3.41Å; C119-T193 WeakPolarHBondContact SG-CG2 3.17Å
120	P	93.3	Very high	94	Very high	19 Å²	19	45.8 Å²	45.8	12%	0.123	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-28	-173.7	26.6	-33.7	0	0	0	113.7	I122 Y123 Y246	P120-I122 PolarHBondContact O-N 3.41Å; P120-Y123 VanDerWaalsContact O-CD2 3.29Å; P120-Y123 WeakPolarHBondContact O-CD2 3.4Å; P120-Y123 PolarHBondContact O-N 2.98Å; P120-Y246 HydrophobicContact CB-CE2 3.89Å; P120-Y246 WeakPolarHBondContact CB-OH 3.24Å; P120-Y246 HydrophobicContact CG-CD2 4.19Å; P120-Y246 HydrophobicContact CG-CE2 3.26Å
121	H	93.5	Very high	93.9	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.037	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.5	178.7	67.6	-80.6	0	0	0	113.4	C119 Y123 V124 T125 R243	C119-H121 PolarHBondContact O-N 2.98Å; H121-Y123 PolarHBondContact O-N 2.85Å; H121-Y123 VanDerWaalsContact O-N 3.09Å; H121-V124 PolarHBondContact O-N 2.78Å; H121-T125 HydrophobicContact CB-CG2 4.41Å; H121-T125 PolarHBondContact CD2-OG1 3.5Å; H121-T125 PolarHBondContact O-N 3.34Å; H121-T125 PolarHBondContact O-OG1 3.42Å; H121-R243 VanDerWaalsContact ND1-CZ 3.28Å; H121-R243 PolarHBondContact ND1-NH1 3.21Å; H121-R243 PolarHBondContact ND1-NH2 3.07Å
122	I	93.1	Very high	93.7	Very high	29 Å²	29	46.2 Å²	46.2	15%	0.149	24%	0.243	C	C	.	.	H	α-helix	trans	-55.6	-31.6	179.4	-159.7	174	0	0	0	112.2	R118 C119 P120 V124 G126 V128	R118-I122 HydrophobicContact CB-CG2 4.4Å; C119-I122 WeakPolarHBondContact O-CB 3.47Å; C119-I122 WeakPolarHBondContact O-CG2 3.33Å; C119-I122 PolarHBondContact O-N 3.41Å; P120-I122 PolarHBondContact O-N 3.41Å; I122-V124 PolarHBondContact O-N 3.06Å; I122-G126 VanDerWaalsContact O-CA 3.24Å; I122-G126 WeakPolarHBondContact O-CA 3.25Å; I122-G126 PolarHBondContact O-N 2.83Å; I122-V128 HydrophobicContact CD1-CG1 4.08Å
123	Y	91	Very high	93.5	Very high	182 Å²	182	46.3 Å²	46.3	71%	0.714	24%	0.244	S	C	*	.	H	α-helix	trans	-69.5	-20.6	178.5	-61.8	-69.3	0	0	0	113.2	P120 H121	P120-Y123 VanDerWaalsContact O-CD2 3.29Å; P120-Y123 WeakPolarHBondContact O-CD2 3.4Å; P120-Y123 PolarHBondContact O-N 2.98Å; H121-Y123 PolarHBondContact O-N 2.85Å; H121-Y123 VanDerWaalsContact O-N 3.09Å
124	V	91.2	Very high	93.2	Very high	131 Å²	131	46.7 Å²	46.7	79%	0.794	25%	0.247	S	C	*	.	H	α-helix	trans	-104.9	-39.6	-178.9	-176.4	0	0	0	0	111	H121 I122	H121-V124 PolarHBondContact O-N 2.78Å; I122-V124 PolarHBondContact O-N 3.06Å
125	T	93.3	Very high	93	Very high	48 Å²	48	46.7 Å²	46.7	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-94.4	-11.5	-175.4	57.6	0	0	0	0	113.9	H121 N127 N279	H121-T125 HydrophobicContact CB-CG2 4.41Å; H121-T125 PolarHBondContact CD2-OG1 3.5Å; H121-T125 PolarHBondContact O-N 3.34Å; H121-T125 PolarHBondContact O-OG1 3.42Å; T125-N127 PolarHBondContact O-N 2.73Å; T125-N127 VanDerWaalsContact O-N 3.14Å; T125-N127 PolarHBondContact OG1-O 2.81Å; T125-N279 WeakPolarHBondContact CB-OD1 3.45Å; T125-N279 VanDerWaalsContact CG2-OD1 3.28Å; T125-N279 WeakPolarHBondContact CG2-OD1 3.46Å
126	G	93	Very high	92.9	Very high	51 Å²	51	46.1 Å²	46.1	53%	0.526	25%	0.251	S	S	.	.	S	Bend	trans	79.6	-24.8	-176.8	0	0	0	0	0	114.9	I122	I122-G126 VanDerWaalsContact O-CA 3.24Å; I122-G126 WeakPolarHBondContact O-CA 3.25Å; I122-G126 PolarHBondContact O-N 2.83Å
127	N	91.5	Very high	92.7	Very high	115 Å²	115	48.9 Å²	48.9	62%	0.615	27%	0.265	S	S	*	.	S	Bend	trans	-141	164.2	-177	-68.9	-51	0	0	0	112.1	T125 N279	T125-N127 PolarHBondContact O-N 2.73Å; T125-N127 VanDerWaalsContact O-N 3.14Å; T125-N127 PolarHBondContact OG1-O 2.81Å; N127-N279 PolarHBondContact O-ND2 2.75Å
128	V	92.6	Very high	92.5	Very high	43 Å²	43	49.3 Å²	49.3	26%	0.261	27%	0.27	S	S	.	.			trans	-75	173.7	170.5	-61	0	0	0	0	112.1	I122 N279	I122-V128 HydrophobicContact CD1-CG1 4.08Å; V128-N279 PolarHBondContact O-ND2 2.85Å; V128-N279 VanDerWaalsContact O-ND2 3.1Å
129	C	94.9	Very high	92.3	Very high	5 Å²	5	49 Å²	49	3%	0.034	28%	0.278	C	S	.	.			trans	-63.1	141	176.3	-48.2	0	0	0	0	111.7	Y131 C132 N279 R280	C129-Y131 VanDerWaalsContact C-N 3.3Å; C129-Y131 HydrophobicContact CB-CE1 4.41Å; C129-Y131 HydrophobicContact CB-CE2 4.32Å; C129-Y131 PolarHBondContact O-N 3.07Å; C129-Y131 VanDerWaalsContact O-N 3.14Å; C129-C132 HydrophobicContact CB-CB 4.13Å; C129-C132 VanDerWaalsContact O-CB 3.3Å; C129-C132 WeakPolarHBondContact O-CB 3.42Å; C129-C132 PolarHBondContact O-N 2.87Å; C129-N279 WeakPolarHBondContact CA-O 3.21Å; C129-N279 PolarHBondContact SG-O 2.57Å; C129-R280 PolarHBondContact SG-NH1 3.43Å
130	M	94.6	Very high	92.1	Very high	49 Å²	49	50 Å²	50	24%	0.241	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-35.2	-170.1	-176.5	-177.3	-75.7	0	0	115	D277 T278 P310 G347 I348 L351	M130-D277 WeakPolarHBondContact CE-O 3.49Å; M130-T278 PolarHBondContact N-O 2.77Å; M130-P310 HydrophobicContact SD-CG 4.18Å; M130-G347 CarbonylContact O-C 3.43Å; M130-G347 WeakPolarHBondContact O-CA 3.34Å; M130-G347 PolarHBondContact O-N 2.82Å; M130-I348 HydrophobicContact CG-CB 4.3Å; M130-I348 PolarHBondContact O-N 3.06Å; M130-L351 HydrophobicContact CE-CD1 4.07Å; M130-L351 HydrophobicContact SD-CD1 3.43Å; M130-L351 WeakPolarHBondContact SD-CD1 3.43Å; M130-L351 HydrophobicContact SD-CG 4.45Å
131	Y	94.4	Very high	91.8	Very high	12 Å²	12	57.5 Å²	57.5	5%	0.047	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	4.4	-177.1	52.5	-101.5	0	0	0	113.5	C129 P133 Q268 T278 R280 M306 L309	C129-Y131 VanDerWaalsContact C-N 3.3Å; C129-Y131 HydrophobicContact CB-CE1 4.41Å; C129-Y131 HydrophobicContact CB-CE2 4.32Å; C129-Y131 PolarHBondContact O-N 3.07Å; C129-Y131 VanDerWaalsContact O-N 3.14Å; Y131-P133 VanDerWaalsContact O-CD 3.23Å; Y131-P133 WeakPolarHBondContact O-CD 3.19Å; Y131-Q268 WeakPolarHBondContact OH-CG 3.45Å; Y131-T278 HydrophobicContact CD1-CG2 4.35Å; Y131-T278 HydrophobicContact CE1-CG2 4.27Å; Y131-R280 WeakPolarHBondContact OH-CD 3.42Å; Y131-M306 HydrophobicContact CD1-CE 4.4Å; Y131-M306 HydrophobicContact CD2-CE 3.64Å; Y131-M306 HydrophobicContact CD2-SD 3.85Å; Y131-M306 HydrophobicContact CE2-CE 4.1Å; Y131-M306 HydrophobicContact CE2-SD 3.66Å; Y131-M306 HydrophobicContact CG-CE 3.83Å; Y131-M306 HydrophobicContact CG-SD 4.44Å; Y131-L309 HydrophobicContact CD1-CD2 3.67Å; Y131-L309 HydrophobicContact CE1-CD2 4.02Å; Y131-L309 HydrophobicContact CG-CD2 4.32Å
132	C	94	Very high	91.6	Very high	14 Å²	14	63.2 Å²	63.2	10%	0.095	34%	0.337	C	S	.	.			trans	-87.7	111.7	-170.4	-163.4	0	0	0	0	111.2	C129 Q145 S146	C129-C132 HydrophobicContact CB-CB 4.13Å; C129-C132 VanDerWaalsContact O-CB 3.3Å; C129-C132 WeakPolarHBondContact O-CB 3.42Å; C129-C132 PolarHBondContact O-N 2.87Å; C132-Q145 PolarHBondContact SG-NE2 2.94Å; C132-S146 VanDerWaalsContact SG-CA 3.58Å; C132-S146 PolarHBondContact SG-OG 3.08Å
133	P	92.7	Very high	91.5	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.019	33%	0.33	C	S	.	.			trans	-78.8	167.2	174	36.2	-38.3	0	0	0	111.1	Y131 F140 S146 T148 I343 T346	Y131-P133 VanDerWaalsContact O-CD 3.23Å; Y131-P133 WeakPolarHBondContact O-CD 3.19Å; P133-F140 HydrophobicContact CB-CE2 4.44Å; P133-S146 CarbonylContact O-C 3.56Å; P133-S146 WeakPolarHBondContact O-CA 3.47Å; P133-S146 PolarHBondContact O-N 2.74Å; P133-T148 HydrophobicContact CB-CG2 4.35Å; P133-I343 HydrophobicContact CB-CB 4.31Å; P133-I343 HydrophobicContact CB-CD1 3.98Å; P133-I343 HydrophobicContact CB-CG2 3.99Å; P133-I343 HydrophobicContact CG-CD1 3.84Å; P133-T346 HydrophobicContact CB-CG2 3.98Å
134	G	91	Very high	91.5	Very high	7 Å²	7	53.3 Å²	53.3	7%	0.072	30%	0.297	C	S	.	.			trans	70.6	-168.1	169	0	0	0	0	0	114.8	S138 Q145 Y147	G134-S138 WeakPolarHBondContact CA-OG 3.24Å; G134-S138 WeakPolarHBondContact O-CB 3.07Å; G134-S138 PolarHBondContact O-OG 3.35Å; G134-Q145 PolarHBondContact O-NE2 2.86Å; G134-Y147 VanDerWaalsContact CA-O 3.28Å; G134-Y147 WeakPolarHBondContact CA-O 3.4Å
135	G	90.8	Very high	91.4	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.01	26%	0.26	C	S	.	.	S	Bend	trans	90.9	174.6	-176.5	0	0	0	0	0	113.2	D137 S138 S143 T144	G135-D137 PolarHBondContact O-N 2.65Å; G135-D137 VanDerWaalsContact O-N 3.17Å; G135-S138 PolarHBondContact N-OG 3.09Å; G135-S138 PolarHBondContact O-N 3.45Å; G135-S138 PolarHBondContact O-OG 3.19Å; G135-S143 WeakPolarHBondContact CA-O 3.47Å; G135-S143 PolarHBondContact N-OG 3.13Å; G135-T144 PolarHBondContact N-O 3.15Å
136	P	91.3	Very high	91.3	Very high	63 Å²	63	46.8 Å²	46.8	41%	0.409	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.5	-171.3	-25.4	35.3	0	0	0	115.4	P116 R118	P116-P136 HydrophobicContact CB-CG 4.4Å; R118-P136 HydrophobicContact CG-CB 4.46Å; R118-P136 HydrophobicContact CG-CG 4.34Å
137	D	89.7	Confident	91.3	Very high	88 Å²	88	46.1 Å²	46.1	47%	0.471	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	20	-176.4	-55.1	-50	0	0	0	112.3	R118 G135	R118-D137 WeakPolarHBondContact CD-OD2 3.46Å; R118-D137 WeakPolarHBondContact CG-OD2 3.44Å; R118-D137 IonicContact CZ-OD1 3.28Å; R118-D137 VanDerWaalsContact CZ-OD1 3.28Å; R118-D137 IonicContact CZ-OD2 3.88Å; R118-D137 VanDerWaalsContact NE-CG 3.34Å; R118-D137 IonicContact NE-OD1 2.99Å; R118-D137 PolarHBondContact NE-OD1 3.12Å; R118-D137 IonicContact NE-OD2 2.85Å; R118-D137 PolarHBondContact NE-OD2 2.89Å; R118-D137 IonicContact NH2-OD1 2.71Å; R118-D137 PolarHBondContact NH2-OD1 2.94Å; G135-D137 PolarHBondContact O-N 2.65Å; G135-D137 VanDerWaalsContact O-N 3.17Å
138	S	90.3	Very high	91.3	Very high	33 Å²	33	40.8 Å²	40.8	23%	0.231	21%	0.211	C	C	.	.	S	Bend	trans	-114.5	165.5	-178.3	76.2	0	0	0	0	112.8	G134 G135 F140	G134-S138 WeakPolarHBondContact CA-OG 3.24Å; G134-S138 WeakPolarHBondContact O-CB 3.07Å; G134-S138 PolarHBondContact O-OG 3.35Å; G135-S138 PolarHBondContact N-OG 3.09Å; G135-S138 PolarHBondContact O-N 3.45Å; G135-S138 PolarHBondContact O-OG 3.19Å; S138-F140 PolarHBondContact O-N 3.01Å; S138-F140 VanDerWaalsContact O-N 3.14Å; S138-F140 PolarHBondContact OG-N 2.94Å
139	D	88.8	Confident	91.3	Very high	119 Å²	119	39 Å²	39	64%	0.636	20%	0.202	S	C	*	.	S	Bend	trans	-66.3	-8.2	173.2	-66.5	-10.5	0	0	0	113.4	E141	D139-E141 PolarHBondContact O-N 3.43Å
140	F	89.6	Confident	91.2	Very high	29 Å²	29	45.4 Å²	45.4	13%	0.127	23%	0.226	C	C	.	.	S	Bend	trans	-88.9	101.4	-179.6	-66.3	-75.5	0	0	0	111.1	P133 S138 Y142 S143 T148 Y150 I343 L393	P133-F140 HydrophobicContact CB-CE2 4.44Å; S138-F140 PolarHBondContact O-N 3.01Å; S138-F140 VanDerWaalsContact O-N 3.14Å; S138-F140 PolarHBondContact OG-N 2.94Å; F140-Y142 PolarHBondContact O-N 3.45Å; F140-S143 WeakPolarHBondContact CB-OG 3.38Å; F140-S143 WeakPolarHBondContact O-CB 3.48Å; F140-S143 PolarHBondContact O-N 2.97Å; F140-S143 PolarHBondContact O-OG 3.07Å; F140-T148 HydrophobicContact CD1-CG2 4.45Å; F140-T148 WeakPolarHBondContact CD1-O 3.42Å; F140-T148 HydrophobicContact CE1-CG2 3.99Å; F140-T148 HydrophobicContact CE2-CG2 4.18Å; F140-T148 HydrophobicContact CZ-CG2 3.84Å; F140-Y150 HydrophobicContact CD1-CD2 4.41Å; F140-Y150 HydrophobicContact CD1-CE2 4.13Å; F140-Y150 HydrophobicContact CE1-CD2 4.5Å; F140-Y150 HydrophobicContact CE1-CE2 4.36Å; F140-I343 HydrophobicContact CE2-CG2 4.03Å; F140-I343 HydrophobicContact CZ-CG2 3.91Å; F140-L393 HydrophobicContact CE1-CD1 4.41Å; F140-L393 HydrophobicContact CE1-CD2 4.47Å
141	E	87	Confident	91.1	Very high	178 Å²	178	43.3 Å²	43.3	83%	0.832	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	127.8	-177.8	-66.8	-173	174.2	0	0	113.2	D139 S143	D139-E141 PolarHBondContact O-N 3.43Å; E141-S143 PolarHBondContact O-N 2.99Å
142	Y	88	Confident	91	Very high	127 Å²	127	46 Å²	46	50%	0.498	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	28.9	172.3	-157.2	-124.4	0	0	0	114.3	P116 F140 I158 Y162	P116-Y142 HydrophobicContact CG-CD2 4.49Å; F140-Y142 PolarHBondContact O-N 3.45Å; Y142-I158 HydrophobicContact CD1-CG1 4.21Å; Y142-I158 HydrophobicContact CD1-CG2 4.18Å; Y142-Y162 HydrophobicContact CD1-CD2 4.22Å; Y142-Y162 AromaticContact CD1-CE2 3.56Å; Y142-Y162 HydrophobicContact CD1-CE2 3.56Å; Y142-Y162 AromaticContact CE1-CD2 3.47Å; Y142-Y162 HydrophobicContact CE1-CD2 3.47Å; Y142-Y162 VanDerWaalsContact CE1-CD2 3.47Å; Y142-Y162 AromaticContact CE1-CE2 3.3Å; Y142-Y162 HydrophobicContact CE1-CE2 3.3Å; Y142-Y162 HydrophobicContact CE2-CD2 4.49Å; Y142-Y162 HydrophobicContact CE2-CE2 4.36Å; Y142-Y162 HydrophobicContact CG-CE2 4.2Å; Y142-Y162 AromaticContact CZ-CD2 3.62Å; Y142-Y162 AromaticContact CZ-CE2 3.73Å; Y142-Y162 PolarHBondContact O-OH 3.25Å
143	S	91.1	Very high	90.9	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.007	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-90.3	149.8	-179.6	69.2	0	0	0	0	112.5	P116 G135 F140 E141 Y147	P116-S143 WeakPolarHBondContact CB-O 3.47Å; G135-S143 WeakPolarHBondContact CA-O 3.47Å; G135-S143 PolarHBondContact N-OG 3.13Å; F140-S143 WeakPolarHBondContact CB-OG 3.38Å; F140-S143 WeakPolarHBondContact O-CB 3.48Å; F140-S143 PolarHBondContact O-N 2.97Å; F140-S143 PolarHBondContact O-OG 3.07Å; E141-S143 PolarHBondContact O-N 2.99Å; S143-Y147 WeakPolarHBondContact CB-O 3.36Å; S143-Y147 PolarHBondContact OG-O 3.4Å
144	T	91.1	Very high	91	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.012	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-80.8	155.4	171.6	46.2	0	0	0	0	110.8	M113 C114 P116 G135 S146 Y147 Y162	M113-T144 HydrophobicContact CB-CG2 4.39Å; C114-T144 WeakPolarHBondContact O-CG2 3.49Å; P116-T144 HydrophobicContact CG-CG2 4.06Å; G135-T144 PolarHBondContact N-O 3.15Å; T144-S146 PolarHBondContact O-N 3.48Å; T144-Y147 PolarHBondContact O-N 2.67Å; T144-Y147 VanDerWaalsContact O-N 3.07Å; T144-Y147 VanDerWaalsContact O-O 3.13Å; T144-Y147 WeakPolarHBondContact OG1-CD2 3.48Å; T144-Y162 HydrophobicContact CG2-CD1 4.36Å; T144-Y162 HydrophobicContact CG2-CE1 3.53Å
145	Q	90.2	Very high	91.2	Very high	7 Å²	7	50.5 Å²	50.5	3%	0.033	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	135.3	178.4	-167.5	69.1	55.2	0	0	111.3	C132 G134 Y147	C132-Q145 PolarHBondContact SG-NE2 2.94Å; G134-Q145 PolarHBondContact O-NE2 2.86Å; Q145-Y147 VanDerWaalsContact C-N 3.31Å; Q145-Y147 WeakPolarHBondContact O-CD2 3.28Å
146	S	90.8	Very high	91.4	Very high	35 Å²	35	52.5 Å²	52.5	25%	0.245	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	3.1	-175.6	-36.5	0	0	0	0	115.7	C132 P133 T144	C132-S146 VanDerWaalsContact SG-CA 3.58Å; C132-S146 PolarHBondContact SG-OG 3.08Å; P133-S146 CarbonylContact O-C 3.56Å; P133-S146 WeakPolarHBondContact O-CA 3.47Å; P133-S146 PolarHBondContact O-N 2.74Å; T144-S146 PolarHBondContact O-N 3.48Å
147	Y	92.3	Very high	91.6	Very high	38 Å²	38	49.5 Å²	49.5	15%	0.149	24%	0.243	C	C	.	.			trans	-129.1	144.1	-177.4	-65.4	-85.5	0	0	0	111.4	M113 G134 S143 T144 Q145 E151 M190 E241	M113-Y147 HydrophobicContact CE-CD1 3.37Å; M113-Y147 HydrophobicContact CE-CD2 3.76Å; M113-Y147 HydrophobicContact CE-CE1 3.52Å; M113-Y147 HydrophobicContact CE-CE2 3.93Å; M113-Y147 HydrophobicContact CE-CG 3.49Å; M113-Y147 VanDerWaalsContact CE-CG 3.49Å; G134-Y147 VanDerWaalsContact CA-O 3.28Å; G134-Y147 WeakPolarHBondContact CA-O 3.4Å; S143-Y147 WeakPolarHBondContact CB-O 3.36Å; S143-Y147 PolarHBondContact OG-O 3.4Å; T144-Y147 PolarHBondContact O-N 2.67Å; T144-Y147 VanDerWaalsContact O-N 3.07Å; T144-Y147 VanDerWaalsContact O-O 3.13Å; T144-Y147 WeakPolarHBondContact OG1-CD2 3.48Å; Q145-Y147 VanDerWaalsContact C-N 3.31Å; Q145-Y147 WeakPolarHBondContact O-CD2 3.28Å; Y147-E151 HydrophobicContact CD1-CG 4.36Å; Y147-M190 HydrophobicContact CE2-CB 4.4Å; Y147-E241 PolarHBondContact OH-OE2 3.39Å
148	T	92.1	Very high	91.9	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	23%	0.233	C	C	.	.			trans	-86.4	-12.6	-177.5	62.3	0	0	0	0	114	P133 F140 Y150 E151 I389 L393	P133-T148 HydrophobicContact CB-CG2 4.35Å; F140-T148 HydrophobicContact CD1-CG2 4.45Å; F140-T148 WeakPolarHBondContact CD1-O 3.42Å; F140-T148 HydrophobicContact CE1-CG2 3.99Å; F140-T148 HydrophobicContact CE2-CG2 4.18Å; F140-T148 HydrophobicContact CZ-CG2 3.84Å; T148-Y150 VanDerWaalsContact C-N 3.26Å; T148-Y150 WeakPolarHBondContact O-CD2 3.39Å; T148-Y150 PolarHBondContact O-N 3.45Å; T148-Y150 PolarHBondContact OG1-N 3.22Å; T148-E151 WeakPolarHBondContact CB-OE1 3.45Å; T148-E151 PolarHBondContact N-OE1 2.98Å; T148-E151 PolarHBondContact N-OE2 3.12Å; T148-E151 PolarHBondContact OG1-OE1 3Å; T148-E151 PolarHBondContact OG1-OE2 3.22Å; T148-I389 HydrophobicContact CG2-CG2 4.38Å; T148-L393 HydrophobicContact CG2-CD1 4.01Å; T148-L393 WeakPolarHBondContact OG1-CD1 3.34Å
149	G	92.2	Very high	92.1	Very high	6 Å²	6	54.7 Å²	54.7	6%	0.062	25%	0.254	C	S	.	.	S	Bend	trans	90.6	-19.2	-173.7	0	0	0	0	0	113.6	E151 S154 M155	G149-E151 PolarHBondContact N-OE2 3.4Å; G149-S154 WeakPolarHBondContact O-CB 3.39Å; G149-M155 VanDerWaalsContact O-CG 3.23Å; G149-M155 WeakPolarHBondContact O-CG 3.37Å; G149-M155 PolarHBondContact O-N 3.45Å
150	Y	93.2	Very high	92.5	Very high	139 Å²	139	49.6 Å²	49.6	55%	0.545	23%	0.228	S	C	.	.			trans	-94.7	-3.2	-178	-63.6	-79.8	0	0	0	113.9	F140 T148 M155 L393	F140-Y150 HydrophobicContact CD1-CD2 4.41Å; F140-Y150 HydrophobicContact CD1-CE2 4.13Å; F140-Y150 HydrophobicContact CE1-CD2 4.5Å; F140-Y150 HydrophobicContact CE1-CE2 4.36Å; T148-Y150 VanDerWaalsContact C-N 3.26Å; T148-Y150 WeakPolarHBondContact O-CD2 3.39Å; T148-Y150 PolarHBondContact O-N 3.45Å; T148-Y150 PolarHBondContact OG1-N 3.22Å; Y150-M155 WeakPolarHBondContact O-CE 3.5Å; Y150-L393 HydrophobicContact CD2-CD1 3.64Å; Y150-L393 HydrophobicContact CG-CD1 4.07Å
151	E	92.5	Very high	92.8	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.028	26%	0.256	C	S	.	.	S	Bend	trans	-68.3	147.5	172	-52.1	78.8	-173.5	0	0	109.7	Y147 T148 G149 T153 S154 M155 D388	Y147-E151 HydrophobicContact CD1-CG 4.36Å; T148-E151 WeakPolarHBondContact CB-OE1 3.45Å; T148-E151 PolarHBondContact N-OE1 2.98Å; T148-E151 PolarHBondContact N-OE2 3.12Å; T148-E151 PolarHBondContact OG1-OE1 3Å; T148-E151 PolarHBondContact OG1-OE2 3.22Å; G149-E151 PolarHBondContact N-OE2 3.4Å; E151-T153 PolarHBondContact O-N 3.19Å; E151-S154 PolarHBondContact O-N 3.44Å; E151-S154 VanDerWaalsContact OE2-CB 3.28Å; E151-S154 WeakPolarHBondContact OE2-CB 3.37Å; E151-S154 PolarHBondContact OE2-OG 3.31Å; E151-M155 PolarHBondContact O-N 3.26Å; E151-D388 WeakPolarHBondContact CG-O 3.47Å
152	P	91.7	Very high	93.2	Very high	67 Å²	67	49 Å²	49	44%	0.435	22%	0.218	S	C	.	.	H	α-helix	trans	-54.8	-31.8	-177.3	-29.3	35.7	0	0	0	114.5	R156	P152-R156 VanDerWaalsContact C-NH1 3.26Å; P152-R156 WeakPolarHBondContact O-CG 3.29Å; P152-R156 PolarHBondContact O-NH1 3.29Å
153	T	93.4	Very high	93.7	Very high	21 Å²	21	45.1 Å²	45.1	13%	0.129	21%	0.205	C	C	.	.	H	α-helix	trans	-78.6	-42.2	176.9	-53.6	0	0	0	0	112.1	A111 M113 E151 M155 R156 A157 M190	A111-T153 HydrophobicContact CB-CG2 4.01Å; A111-T153 WeakPolarHBondContact O-CG2 3.21Å; M113-T153 HydrophobicContact CG-CG2 4.48Å; E151-T153 PolarHBondContact O-N 3.19Å; T153-M155 PolarHBondContact O-N 2.71Å; T153-R156 PolarHBondContact O-N 3.42Å; T153-R156 VanDerWaalsContact O-N 3.14Å; T153-R156 PolarHBondContact OG1-NH2 3.09Å; T153-A157 PolarHBondContact O-N 3.45Å; T153-M190 HydrophobicContact CG2-CE 3.21Å
154	S	94.1	Very high	94	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58	-46.5	174.6	-43.2	0	0	0	0	112	M113 G149 E151 R156 A157 I158	M113-S154 WeakPolarHBondContact CE-OG 3.45Å; M113-S154 VanDerWaalsContact SD-CA 3.54Å; G149-S154 WeakPolarHBondContact O-CB 3.39Å; E151-S154 PolarHBondContact O-N 3.44Å; E151-S154 VanDerWaalsContact OE2-CB 3.28Å; E151-S154 WeakPolarHBondContact OE2-CB 3.37Å; E151-S154 PolarHBondContact OE2-OG 3.31Å; S154-R156 VanDerWaalsContact C-N 3.27Å; S154-R156 PolarHBondContact O-N 2.79Å; S154-A157 WeakPolarHBondContact O-CB 3.46Å; S154-A157 PolarHBondContact O-N 3.17Å; S154-I158 WeakPolarHBondContact O-CG1 3.35Å; S154-I158 PolarHBondContact O-N 2.9Å
155	M	94.2	Very high	94.3	Very high	98 Å²	98	47.5 Å²	47.5	48%	0.483	22%	0.216	S	C	.	.	H	α-helix	trans	-59.2	-37.2	176.6	-69.5	-170.7	-73.6	0	0	112.8	G149 Y150 E151 T153 R159	G149-M155 VanDerWaalsContact O-CG 3.23Å; G149-M155 WeakPolarHBondContact O-CG 3.37Å; G149-M155 PolarHBondContact O-N 3.45Å; Y150-M155 WeakPolarHBondContact O-CE 3.5Å; E151-M155 PolarHBondContact O-N 3.26Å; T153-M155 PolarHBondContact O-N 2.71Å; M155-R159 WeakPolarHBondContact O-CB 3.36Å; M155-R159 PolarHBondContact O-N 3.22Å; M155-R159 VanDerWaalsContact O-N 3.11Å
156	R	94.9	Very high	94.6	Very high	43 Å²	43	50.9 Å²	50.9	16%	0.162	23%	0.233	C	C	.	.	H	α-helix	trans	-69.5	-39.1	175.5	-71.4	-171	-51.2	-85	1.9	111.7	P152 T153 S154 A160	P152-R156 VanDerWaalsContact C-NH1 3.26Å; P152-R156 WeakPolarHBondContact O-CG 3.29Å; P152-R156 PolarHBondContact O-NH1 3.29Å; T153-R156 PolarHBondContact O-N 3.42Å; T153-R156 VanDerWaalsContact O-N 3.14Å; T153-R156 PolarHBondContact OG1-NH2 3.09Å; S154-R156 VanDerWaalsContact C-N 3.27Å; S154-R156 PolarHBondContact O-N 2.79Å; R156-A160 WeakPolarHBondContact O-CB 3.44Å; R156-A160 PolarHBondContact O-N 3.33Å; R156-A160 VanDerWaalsContact O-N 3.08Å
157	A	96.1	Very high	95	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-47	178.1	0	0	0	0	0	111.4	M113 T153 S154 R159 A160 R161 Y162	M113-A157 HydrophobicContact CB-CB 3.8Å; M113-A157 HydrophobicContact CG-CB 4.24Å; M113-A157 HydrophobicContact SD-CB 4.05Å; T153-A157 PolarHBondContact O-N 3.45Å; S154-A157 WeakPolarHBondContact O-CB 3.46Å; S154-A157 PolarHBondContact O-N 3.17Å; A157-R159 PolarHBondContact O-N 3.02Å; A157-A160 CarbonylContact O-C 3.57Å; A157-A160 WeakPolarHBondContact O-CA 3.23Å; A157-A160 PolarHBondContact O-N 2.93Å; A157-A160 VanDerWaalsContact O-N 3.09Å; A157-R161 PolarHBondContact O-N 2.86Å; A157-Y162 HydrophobicContact CB-CD1 3.78Å; A157-Y162 HydrophobicContact CB-CE1 3.61Å; A157-Y162 PolarHBondContact O-N 3.36Å
158	I	95.6	Very high	95.2	Very high	53 Å²	53	48 Å²	48	27%	0.272	22%	0.217	S	C	.	.	H	α-helix	trans	-57.7	-48.2	175.4	-68.7	167.6	0	0	0	110.7	Y142 S154 A160 R161 Y162	Y142-I158 HydrophobicContact CD1-CG1 4.21Å; Y142-I158 HydrophobicContact CD1-CG2 4.18Å; S154-I158 WeakPolarHBondContact O-CG1 3.35Å; S154-I158 PolarHBondContact O-N 2.9Å; I158-A160 PolarHBondContact O-N 3.24Å; I158-R161 WeakPolarHBondContact O-CA 3.04Å; I158-R161 PolarHBondContact O-N 2.88Å; I158-Y162 HydrophobicContact CG1-CE2 4.25Å
159	R	95.7	Very high	95.4	Very high	178 Å²	178	55.1 Å²	55.1	67%	0.672	24%	0.244	S	C	*	.	H	α-helix	trans	-60.6	-33	177.3	-172	179.7	70.4	177.4	1.8	113	M155 A157 R161	M155-R159 WeakPolarHBondContact O-CB 3.36Å; M155-R159 PolarHBondContact O-N 3.22Å; M155-R159 VanDerWaalsContact O-N 3.11Å; A157-R159 PolarHBondContact O-N 3.02Å; R159-R161 VanDerWaalsContact C-N 3.27Å
160	A	96.5	Very high	95.6	Very high	11 Å²	11	57.1 Å²	57.1	9%	0.091	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	2.5	175.7	0	0	0	0	0	113.1	R156 A157 I158 Y162 D163 I166 Q167	R156-A160 WeakPolarHBondContact O-CB 3.44Å; R156-A160 PolarHBondContact O-N 3.33Å; R156-A160 VanDerWaalsContact O-N 3.08Å; A157-A160 CarbonylContact O-C 3.57Å; A157-A160 WeakPolarHBondContact O-CA 3.23Å; A157-A160 PolarHBondContact O-N 2.93Å; A157-A160 VanDerWaalsContact O-N 3.09Å; I158-A160 PolarHBondContact O-N 3.24Å; A160-Y162 PolarHBondContact O-N 2.79Å; A160-D163 VanDerWaalsContact O-CB 3.25Å; A160-D163 WeakPolarHBondContact O-CB 3.17Å; A160-D163 PolarHBondContact O-N 2.69Å; A160-I166 HydrophobicContact CB-CB 4.24Å; A160-I166 HydrophobicContact CB-CG2 3.82Å; A160-Q167 HydrophobicContact CB-CG 3.63Å
161	R	96.1	Very high	95.7	Very high	189 Å²	189	51.6 Å²	51.6	71%	0.713	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	39.2	-172	-61.1	-175.2	-67.5	-97.5	0.4	112.6	A157 I158 R159 D163	A157-R161 PolarHBondContact O-N 2.86Å; I158-R161 WeakPolarHBondContact O-CA 3.04Å; I158-R161 PolarHBondContact O-N 2.88Å; R159-R161 VanDerWaalsContact C-N 3.27Å; R161-D163 PolarHBondContact O-N 2.85Å; R161-D163 VanDerWaalsContact O-N 3.1Å
162	Y	95.6	Very high	95.8	Very high	7 Å²	7	51.6 Å²	51.6	3%	0.027	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	19.4	-177.1	-62.2	-85.1	0	0	0	115.4	M113 C114 P116 Y142 T144 A157 I158 A160 P164 Q167	M113-Y162 HydrophobicContact CB-CD1 4.01Å; M113-Y162 HydrophobicContact CB-CE1 3.88Å; C114-Y162 WeakPolarHBondContact O-CD1 3.32Å; P116-Y162 VanDerWaalsContact CD-CE2 3.4Å; P116-Y162 HydrophobicContact CG-CD2 4.23Å; P116-Y162 HydrophobicContact CG-CE1 4.36Å; P116-Y162 HydrophobicContact CG-CE2 3.56Å; Y142-Y162 HydrophobicContact CD1-CD2 4.22Å; Y142-Y162 AromaticContact CD1-CE2 3.56Å; Y142-Y162 HydrophobicContact CD1-CE2 3.56Å; Y142-Y162 AromaticContact CE1-CD2 3.47Å; Y142-Y162 HydrophobicContact CE1-CD2 3.47Å; Y142-Y162 VanDerWaalsContact CE1-CD2 3.47Å; Y142-Y162 AromaticContact CE1-CE2 3.3Å; Y142-Y162 HydrophobicContact CE1-CE2 3.3Å; Y142-Y162 HydrophobicContact CE2-CD2 4.49Å; Y142-Y162 HydrophobicContact CE2-CE2 4.36Å; Y142-Y162 HydrophobicContact CG-CE2 4.2Å; Y142-Y162 AromaticContact CZ-CD2 3.62Å; Y142-Y162 AromaticContact CZ-CE2 3.73Å; Y142-Y162 PolarHBondContact O-OH 3.25Å; T144-Y162 HydrophobicContact CG2-CD1 4.36Å; T144-Y162 HydrophobicContact CG2-CE1 3.53Å; A157-Y162 HydrophobicContact CB-CD1 3.78Å; A157-Y162 HydrophobicContact CB-CE1 3.61Å; A157-Y162 PolarHBondContact O-N 3.36Å; I158-Y162 HydrophobicContact CG1-CE2 4.25Å; A160-Y162 PolarHBondContact O-N 2.79Å; Y162-P164 WeakPolarHBondContact O-CD 2.99Å; Y162-Q167 VanDerWaalsContact C-NE2 3.28Å; Y162-Q167 PolarHBondContact O-NE2 2.9Å
163	D	97.6	Very high	95.9	Very high	44 Å²	44	54.5 Å²	54.5	24%	0.235	24%	0.241	C	C	.	.			trans	-67.3	118.3	173	-178.8	-60	0	0	0	110.1	A160 R161 F165 I166 Q167	A160-D163 VanDerWaalsContact O-CB 3.25Å; A160-D163 WeakPolarHBondContact O-CB 3.17Å; A160-D163 PolarHBondContact O-N 2.69Å; R161-D163 PolarHBondContact O-N 2.85Å; R161-D163 VanDerWaalsContact O-N 3.1Å; D163-F165 PolarHBondContact O-N 3.24Å; D163-F165 WeakPolarHBondContact OD1-CA 3.49Å; D163-F165 WeakPolarHBondContact OD1-CB 3.17Å; D163-F165 PolarHBondContact OD1-N 3Å; D163-I166 HydrophobicContact CB-CB 4.08Å; D163-I166 HydrophobicContact CB-CD1 3.95Å; D163-I166 HydrophobicContact CB-CG1 4.14Å; D163-I166 WeakPolarHBondContact OD1-CG1 3.28Å; D163-I166 PolarHBondContact OD1-N 2.9Å; D163-Q167 WeakPolarHBondContact O-CB 3.45Å; D163-Q167 WeakPolarHBondContact O-CG 3.48Å; D163-Q167 PolarHBondContact O-N 3.43Å; D163-Q167 PolarHBondContact O-NE2 3.32Å
164	P	97.5	Very high	95.8	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-40.9	-176.1	23.1	-33.9	0	0	0	113.1	Y162 A168 Y204 F205 N208 L209	Y162-P164 WeakPolarHBondContact O-CD 2.99Å; P164-A168 WeakPolarHBondContact O-CB 3.46Å; P164-A168 PolarHBondContact O-N 3.06Å; P164-Y204 HydrophobicContact CG-CD1 4.47Å; P164-Y204 HydrophobicContact CG-CE1 3.89Å; P164-F205 HydrophobicContact CB-CD1 4.5Å; P164-F205 HydrophobicContact CB-CD2 3.77Å; P164-F205 HydrophobicContact CB-CE2 3.79Å; P164-F205 HydrophobicContact CB-CG 4.14Å; P164-F205 HydrophobicContact CB-CZ 4.19Å; P164-F205 HydrophobicContact CG-CD2 4.03Å; P164-F205 HydrophobicContact CG-CE2 4.42Å; P164-F205 HydrophobicContact CG-CG 4.49Å; P164-N208 HydrophobicContact CB-CB 3.94Å; P164-N208 HydrophobicContact CG-CB 3.52Å; P164-L209 HydrophobicContact CB-CD2 3.99Å
165	F	97.7	Very high	95.6	Very high	52 Å²	52	57 Å²	57	23%	0.228	25%	0.252	C	S	.	.	H	α-helix	trans	-67.6	-46.7	-177.2	-176.3	-89.7	0	0	0	110.9	D163 A168 R169 N208 D211 A212	D163-F165 PolarHBondContact O-N 3.24Å; D163-F165 WeakPolarHBondContact OD1-CA 3.49Å; D163-F165 WeakPolarHBondContact OD1-CB 3.17Å; D163-F165 PolarHBondContact OD1-N 3Å; F165-A168 PolarHBondContact O-N 3.49Å; F165-R169 VanDerWaalsContact O-CB 3.24Å; F165-R169 WeakPolarHBondContact O-CB 3.29Å; F165-R169 PolarHBondContact O-N 3.02Å; F165-N208 HydrophobicContact CB-CB 4.14Å; F165-D211 HydrophobicContact CD2-CB 4.35Å; F165-D211 HydrophobicContact CE2-CB 4.35Å; F165-A212 HydrophobicContact CD2-CB 3.86Å; F165-A212 HydrophobicContact CE2-CB 4.16Å; F165-A212 HydrophobicContact CG-CB 4.41Å
166	I	97.5	Very high	95.3	Very high	78 Å²	78	57 Å²	57	40%	0.4	25%	0.25	S	S	.	.	H	α-helix	trans	-65.1	-44.1	178.7	-63.1	174.9	0	0	0	110.3	A160 D163 S170	A160-I166 HydrophobicContact CB-CB 4.24Å; A160-I166 HydrophobicContact CB-CG2 3.82Å; D163-I166 HydrophobicContact CB-CB 4.08Å; D163-I166 HydrophobicContact CB-CD1 3.95Å; D163-I166 HydrophobicContact CB-CG1 4.14Å; D163-I166 WeakPolarHBondContact OD1-CG1 3.28Å; D163-I166 PolarHBondContact OD1-N 2.9Å; I166-S170 WeakPolarHBondContact O-CB 3.32Å; I166-S170 PolarHBondContact O-N 3.21Å
167	Q	98	Very high	95	Very high	12 Å²	12	59.1 Å²	59.1	6%	0.056	26%	0.262	C	S	.	.	H	α-helix	trans	-57	-52.2	176.9	-77.6	-176.6	78.9	0	0	111.6	V112 M113 A160 Y162 D163 R171	V112-Q167 HydrophobicContact CG1-CB 4.03Å; M113-Q167 PolarHBondContact O-NE2 2.93Å; A160-Q167 HydrophobicContact CB-CG 3.63Å; Y162-Q167 VanDerWaalsContact C-NE2 3.28Å; Y162-Q167 PolarHBondContact O-NE2 2.9Å; D163-Q167 WeakPolarHBondContact O-CB 3.45Å; D163-Q167 WeakPolarHBondContact O-CG 3.48Å; D163-Q167 PolarHBondContact O-N 3.43Å; D163-Q167 PolarHBondContact O-NE2 3.32Å; Q167-R171 WeakPolarHBondContact O-CB 3.38Å; Q167-R171 PolarHBondContact O-N 3.3Å; Q167-R171 VanDerWaalsContact O-N 3.14Å
168	A	97.5	Very high	94.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-55.8	-179.3	0	0	0	0	0	111.8	P164 F165 S170 R171 I172 Y187 L209 A212	P164-A168 WeakPolarHBondContact O-CB 3.46Å; P164-A168 PolarHBondContact O-N 3.06Å; F165-A168 PolarHBondContact O-N 3.49Å; A168-S170 PolarHBondContact O-N 2.87Å; A168-R171 PolarHBondContact O-N 2.56Å; A168-R171 VanDerWaalsContact O-N 3.16Å; A168-I172 WeakPolarHBondContact O-CD1 3.42Å; A168-I172 VanDerWaalsContact O-CG1 3.3Å; A168-I172 WeakPolarHBondContact O-CG1 3.46Å; A168-I172 PolarHBondContact O-N 3.5Å; A168-Y187 HydrophobicContact CB-CE1 3.76Å; A168-Y187 WeakPolarHBondContact CB-OH 3.47Å; A168-L209 HydrophobicContact CB-CD2 4.09Å; A168-A212 HydrophobicContact CB-CB 3.63Å
169	R	96.1	Very high	93.7	Very high	152 Å²	152	58.4 Å²	58.4	57%	0.574	26%	0.262	S	S	*	.	H	α-helix	trans	-63.3	-40.6	-175.9	-169.2	170.9	-177.2	171.7	1.3	112.3	F165 R171 I172 K173	F165-R169 VanDerWaalsContact O-CB 3.24Å; F165-R169 WeakPolarHBondContact O-CB 3.29Å; F165-R169 PolarHBondContact O-N 3.02Å; R169-R171 VanDerWaalsContact C-N 3.34Å; R169-R171 PolarHBondContact O-N 3.39Å; R169-I172 PolarHBondContact O-N 3.31Å; R169-K173 WeakPolarHBondContact O-CB 3.5Å; R169-K173 PolarHBondContact O-N 2.82Å
170	S	95.9	Very high	93.1	Very high	48 Å²	48	50.3 Å²	50.3	34%	0.336	23%	0.232	S	C	.	.	H	α-helix	trans	-61.9	-43.3	176.1	-173.3	0	0	0	0	111.3	I166 A168 Q174	I166-S170 WeakPolarHBondContact O-CB 3.32Å; I166-S170 PolarHBondContact O-N 3.21Å; A168-S170 PolarHBondContact O-N 2.87Å; S170-Q174 WeakPolarHBondContact O-CB 3.5Å; S170-Q174 PolarHBondContact O-N 3.36Å
171	R	95.7	Very high	92.5	Very high	23 Å²	23	52.8 Å²	52.8	9%	0.087	25%	0.248	C	C	.	.	H	α-helix	trans	-69.1	-40.6	-179.4	-177.8	54.6	178	172.9	2.4	112.6	V110 Q167 A168 R169 Q174 L175	V110-R171 HydrophobicContact CB-CG 4.39Å; V110-R171 HydrophobicContact CG1-CB 3.96Å; V110-R171 HydrophobicContact CG1-CG 3.84Å; V110-R171 HydrophobicContact CG2-CG 4.18Å; Q167-R171 WeakPolarHBondContact O-CB 3.38Å; Q167-R171 PolarHBondContact O-N 3.3Å; Q167-R171 VanDerWaalsContact O-N 3.14Å; A168-R171 PolarHBondContact O-N 2.56Å; A168-R171 VanDerWaalsContact O-N 3.16Å; R169-R171 VanDerWaalsContact C-N 3.34Å; R169-R171 PolarHBondContact O-N 3.39Å; R171-Q174 WeakPolarHBondContact O-CB 3.43Å; R171-Q174 PolarHBondContact O-N 3.4Å; R171-L175 WeakPolarHBondContact O-CG 3.18Å; R171-L175 PolarHBondContact O-N 3.48Å
172	I	94.1	Very high	92.1	Very high	7 Å²	7	44 Å²	44	4%	0.036	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-49	176.4	-67.6	160.9	0	0	0	110.3	V110 A168 R169 Q174 L175 Q176 V182 L213 I233	V110-I172 HydrophobicContact CG2-CG1 4.01Å; A168-I172 WeakPolarHBondContact O-CD1 3.42Å; A168-I172 VanDerWaalsContact O-CG1 3.3Å; A168-I172 WeakPolarHBondContact O-CG1 3.46Å; A168-I172 PolarHBondContact O-N 3.5Å; R169-I172 PolarHBondContact O-N 3.31Å; I172-Q174 VanDerWaalsContact C-N 3.28Å; I172-Q174 PolarHBondContact O-N 2.82Å; I172-L175 PolarHBondContact O-N 2.87Å; I172-L175 VanDerWaalsContact O-N 3.11Å; I172-Q176 WeakPolarHBondContact O-CG 3.27Å; I172-Q176 PolarHBondContact O-N 3.34Å; I172-V182 HydrophobicContact CG2-CB 4.22Å; I172-V182 HydrophobicContact CG2-CG1 4.39Å; I172-V182 HydrophobicContact CG2-CG2 3.99Å; I172-L213 HydrophobicContact CD1-CD2 3.24Å; I172-L213 HydrophobicContact CG1-CD2 4.48Å; I172-I233 HydrophobicContact CG2-CD1 4.21Å
173	K	94	Very high	91.7	Very high	127 Å²	127	47.9 Å²	47.9	55%	0.552	24%	0.237	S	C	*	.	H	α-helix	trans	-58.4	-41.5	176.5	-174.1	176.3	-178.5	177.7	0	111.7	R169 L175 Q176 Q177	R169-K173 WeakPolarHBondContact O-CB 3.5Å; R169-K173 PolarHBondContact O-N 2.82Å; K173-L175 PolarHBondContact O-N 3.48Å; K173-Q176 PolarHBondContact O-N 3.42Å; K173-Q177 WeakPolarHBondContact O-CB 3.41Å; K173-Q177 VanDerWaalsContact O-CG 3.28Å; K173-Q177 WeakPolarHBondContact O-CG 3.43Å; K173-Q177 PolarHBondContact O-N 3.48Å
174	Q	92.3	Very high	91.4	Very high	71 Å²	71	51.1 Å²	51.1	33%	0.332	25%	0.249	S	C	.	.	H	α-helix	trans	-61.4	-42.3	176.3	-174.6	-175.1	32.8	0	0	112.1	S170 R171 I172 Q177 L178	S170-Q174 WeakPolarHBondContact O-CB 3.5Å; S170-Q174 PolarHBondContact O-N 3.36Å; R171-Q174 WeakPolarHBondContact O-CB 3.43Å; R171-Q174 PolarHBondContact O-N 3.4Å; I172-Q174 VanDerWaalsContact C-N 3.28Å; I172-Q174 PolarHBondContact O-N 2.82Å; Q174-Q177 PolarHBondContact O-N 2.9Å; Q174-L178 HydrophobicContact CG-CD1 4.34Å; Q174-L178 WeakPolarHBondContact O-CG 3.47Å; Q174-L178 PolarHBondContact O-N 3Å
175	L	89.4	Confident	91.2	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-66.3	-42.8	178.2	-72.8	172.9	0	0	0	111.7	A108 V110 R171 I172 K173 Q177 L178 G179 H180 V182	A108-L175 HydrophobicContact CB-CD1 4.04Å; V110-L175 HydrophobicContact CG2-CD1 4.27Å; R171-L175 WeakPolarHBondContact O-CG 3.18Å; R171-L175 PolarHBondContact O-N 3.48Å; I172-L175 PolarHBondContact O-N 2.87Å; I172-L175 VanDerWaalsContact O-N 3.11Å; K173-L175 PolarHBondContact O-N 3.48Å; L175-Q177 VanDerWaalsContact C-N 3.34Å; L175-Q177 PolarHBondContact O-N 2.84Å; L175-L178 PolarHBondContact O-N 2.74Å; L175-L178 VanDerWaalsContact O-N 3.12Å; L175-G179 PolarHBondContact O-N 3.31Å; L175-H180 HydrophobicContact CB-CB 4.25Å; L175-H180 WeakPolarHBondContact O-CB 3.45Å; L175-H180 PolarHBondContact O-CD2 3.42Å; L175-H180 PolarHBondContact O-N 2.9Å; L175-H180 VanDerWaalsContact O-N 3.08Å; L175-V182 HydrophobicContact CB-CG1 3.78Å
176	Q	87.4	Confident	91.1	Very high	98 Å²	98	49.4 Å²	49.4	46%	0.458	24%	0.242	S	C	.	.	H	α-helix	trans	-58.1	-45.7	174.2	-71.8	174.4	-37.8	0	0	111.9	I172 K173 L178 G179 V182	I172-Q176 WeakPolarHBondContact O-CG 3.27Å; I172-Q176 PolarHBondContact O-N 3.34Å; K173-Q176 PolarHBondContact O-N 3.42Å; Q176-L178 PolarHBondContact O-N 3.11Å; Q176-G179 PolarHBondContact O-N 3.35Å; Q176-V182 HydrophobicContact CG-CB 4.24Å; Q176-V182 HydrophobicContact CG-CG1 3.83Å; Q176-V182 HydrophobicContact CG-CG2 3.35Å
177	Q	88.2	Confident	91.2	Very high	86 Å²	86	45.7 Å²	45.7	40%	0.402	22%	0.223	S	C	.	.	H	α-helix	trans	-61.9	-24.4	177.6	-79.7	178.5	-19.9	0	0	113.8	V78 K173 Q174 L175 G179	V78-Q177 HydrophobicContact CG1-CB 3.73Å; V78-Q177 HydrophobicContact CG1-CG 4.08Å; V78-Q177 HydrophobicContact CG2-CB 4.26Å; K173-Q177 WeakPolarHBondContact O-CB 3.41Å; K173-Q177 VanDerWaalsContact O-CG 3.28Å; K173-Q177 WeakPolarHBondContact O-CG 3.43Å; K173-Q177 PolarHBondContact O-N 3.48Å; Q174-Q177 PolarHBondContact O-N 2.9Å; L175-Q177 VanDerWaalsContact C-N 3.34Å; L175-Q177 PolarHBondContact O-N 2.84Å; Q177-G179 VanDerWaalsContact C-N 3.33Å
178	L	85.9	Confident	91.2	Very high	24 Å²	24	46 Å²	46	13%	0.126	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	7.7	175.9	-68.8	171.9	0	0	0	113.1	V78 A98 Q174 L175 Q176	V78-L178 HydrophobicContact CG2-CD2 3.78Å; V78-L178 HydrophobicContact CG2-CG 4.42Å; A98-L178 HydrophobicContact CB-CB 4.49Å; A98-L178 HydrophobicContact CB-CD2 4.06Å; Q174-L178 HydrophobicContact CG-CD1 4.34Å; Q174-L178 WeakPolarHBondContact O-CG 3.47Å; Q174-L178 PolarHBondContact O-N 3Å; L175-L178 PolarHBondContact O-N 2.74Å; L175-L178 VanDerWaalsContact O-N 3.12Å; Q176-L178 PolarHBondContact O-N 3.11Å
179	G	79.8	Confident	91.2	Very high	15 Å²	15	46 Å²	46	16%	0.155	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	14.6	177.2	0	0	0	0	0	114.6	K97 L175 Q176 Q177	K97-G179 WeakPolarHBondContact CE-O 3.42Å; L175-G179 PolarHBondContact O-N 3.31Å; Q176-G179 PolarHBondContact O-N 3.35Å; Q177-G179 VanDerWaalsContact C-N 3.33Å
180	H	83	Confident	91	Very high	7 Å²	7	39.6 Å²	39.6	3%	0.032	20%	0.201	C	C	.	.			trans	-83.1	138.4	174.5	-63.1	-80.3	0	0	0	110.9	A98 T103 L175	A98-H180 PolarHBondContact O-CE1 2.96Å; A98-H180 PolarHBondContact O-NE2 3.41Å; T103-H180 HydrophobicContact CG2-CB 3.85Å; T103-H180 WeakPolarHBondContact CG2-ND1 3.3Å; T103-H180 PolarHBondContact OG1-ND1 2.84Å; L175-H180 HydrophobicContact CB-CB 4.25Å; L175-H180 WeakPolarHBondContact O-CB 3.45Å; L175-H180 PolarHBondContact O-CD2 3.42Å; L175-H180 PolarHBondContact O-N 2.9Å; L175-H180 VanDerWaalsContact O-N 3.08Å
181	S	83.4	Confident	90.3	Very high	63 Å²	63	37.5 Å²	37.5	44%	0.441	19%	0.187	S	C	.	.			trans	-67.6	136.5	163.9	162.9	0	0	0	0	108.6	D183	S181-D183 PolarHBondContact OG-N 3.01Å; S181-D183 PolarHBondContact OG-OD2 3.19Å
182	V	87.9	Confident	89.3	Confident	5 Å²	5	37.4 Å²	37.4	3%	0.03	19%	0.193	C	C	.	.			trans	-122.5	20.8	177.3	-59.9	0	0	0	0	111	A108 I172 L175 Q176 K184 I233	A108-V182 HydrophobicContact CB-CB 4.37Å; A108-V182 HydrophobicContact CB-CG1 4.13Å; I172-V182 HydrophobicContact CG2-CB 4.22Å; I172-V182 HydrophobicContact CG2-CG1 4.39Å; I172-V182 HydrophobicContact CG2-CG2 3.99Å; L175-V182 HydrophobicContact CB-CG1 3.78Å; Q176-V182 HydrophobicContact CG-CB 4.24Å; Q176-V182 HydrophobicContact CG-CG1 3.83Å; Q176-V182 HydrophobicContact CG-CG2 3.35Å; V182-K184 PolarHBondContact O-N 2.86Å; V182-I233 HydrophobicContact CG2-CD1 4.31Å; V182-I233 WeakPolarHBondContact O-CG2 3.46Å
183	D	87.7	Confident	89.2	Confident	88 Å²	88	37.1 Å²	37.1	47%	0.471	19%	0.192	S	C	.	.	S	Bend	trans	-65.3	-25	-178.5	-55	-53.1	0	0	0	111.6	S181 K234	S181-D183 PolarHBondContact OG-N 3.01Å; S181-D183 PolarHBondContact OG-OD2 3.19Å; D183-K234 PolarHBondContact O-N 2.68Å
184	K	90	Very high	89.3	Confident	113 Å²	113	31.1 Å²	31.1	49%	0.491	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.2	175.3	-61.4	176.4	-173.4	176.2	0	109.1	A108 V182 I236	A108-K184 PolarHBondContact N-O 3.43Å; V182-K184 PolarHBondContact O-N 2.86Å; K184-I236 HydrophobicContact CB-CD1 4.4Å; K184-I236 HydrophobicContact CB-CG1 4.48Å; K184-I236 HydrophobicContact CB-CG2 3.81Å; K184-I236 HydrophobicContact CD-CG2 4.45Å; K184-I236 HydrophobicContact CG-CG2 3.97Å
185	V	94	Very high	89.5	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.8	179.6	173.6	0	0	0	0	109.8	A108 V110 Y187 L213 I233 K234 I236	A108-V185 HydrophobicContact CB-CG2 4.29Å; A108-V185 WeakPolarHBondContact O-CA 3.02Å; V110-V185 HydrophobicContact CB-CG1 4.05Å; V110-V185 HydrophobicContact CG2-CG1 3.7Å; V185-Y187 HydrophobicContact CG1-CD1 4.35Å; V185-Y187 HydrophobicContact CG1-CD2 4.48Å; V185-Y187 HydrophobicContact CG1-CE1 4.19Å; V185-Y187 HydrophobicContact CG1-CE2 4.37Å; V185-Y187 HydrophobicContact CG1-CG 4.49Å; V185-L213 HydrophobicContact CB-CD1 4.4Å; V185-L213 HydrophobicContact CB-CD2 4.44Å; V185-L213 HydrophobicContact CG1-CD2 4.46Å; V185-L213 HydrophobicContact CG2-CD2 4.31Å; V185-I233 HydrophobicContact CB-CG2 4.3Å; V185-I233 HydrophobicContact CG2-CG2 3.56Å; V185-K234 PolarHBondContact N-O 3.17Å; V185-I236 VanDerWaalsContact O-CG1 3.28Å; V185-I236 WeakPolarHBondContact O-CG1 3.37Å; V185-I236 PolarHBondContact O-N 2.89Å
186	E	96.4	Very high	89.7	Confident	16 Å²	16	29.1 Å²	29.1	8%	0.075	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.9	166.5	-175.8	177.2	-140.6	0	0	108.6	I107 A108 V109 V110 I236 G237 R262	I107-E186 HydrophobicContact CG2-CB 3.72Å; A108-E186 PolarHBondContact O-N 3.24Å; V109-E186 WeakPolarHBondContact CA-O 3.34Å; V110-E186 PolarHBondContact N-O 3.29Å; E186-I236 HydrophobicContact CB-CD1 4.46Å; E186-I236 HydrophobicContact CB-CG1 4.23Å; E186-G237 WeakPolarHBondContact CA-O 3.41Å; E186-R262 IonicContact OE1-CZ 2.71Å; E186-R262 IonicContact OE1-NE 3.11Å; E186-R262 IonicContact OE1-NH1 2.84Å; E186-R262 PolarHBondContact OE1-NH1 3.26Å; E186-R262 IonicContact OE1-NH2 3.87Å; E186-R262 PolarHBondContact OE1-NH2 2.96Å; E186-R262 IonicContact OE2-CZ 2.95Å; E186-R262 IonicContact OE2-NH1 2.86Å; E186-R262 PolarHBondContact OE2-NH1 3.32Å; E186-R262 IonicContact OE2-NH2 3.22Å; E186-R262 PolarHBondContact OE2-NH2 3.49Å
187	Y	98.2	Very high	90.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	146.8	175.6	-74.6	-63.6	0	0	0	111.2	V110 A168 V185 L209 L213 G237 I238 T239	V110-Y187 HydrophobicContact CB-CD1 3.76Å; V110-Y187 HydrophobicContact CB-CE1 3.89Å; V110-Y187 HydrophobicContact CG1-CD1 3.75Å; V110-Y187 HydrophobicContact CG1-CE1 3.58Å; V110-Y187 WeakPolarHBondContact O-CA 3.22Å; A168-Y187 HydrophobicContact CB-CE1 3.76Å; A168-Y187 WeakPolarHBondContact CB-OH 3.47Å; V185-Y187 HydrophobicContact CG1-CD1 4.35Å; V185-Y187 HydrophobicContact CG1-CD2 4.48Å; V185-Y187 HydrophobicContact CG1-CE1 4.19Å; V185-Y187 HydrophobicContact CG1-CE2 4.37Å; V185-Y187 HydrophobicContact CG1-CG 4.49Å; Y187-L209 HydrophobicContact CD2-CB 4.21Å; Y187-L209 HydrophobicContact CE1-CD2 4.34Å; Y187-L209 HydrophobicContact CE2-CB 3.88Å; Y187-L209 WeakPolarHBondContact CE2-O 3.45Å; Y187-L209 HydrophobicContact CG-CD1 4.41Å; Y187-L209 PolarHBondContact OH-O 3.24Å; Y187-L213 HydrophobicContact CE2-CD1 3.55Å; Y187-L213 HydrophobicContact CE2-CD2 4.36Å; Y187-L213 HydrophobicContact CE2-CG 3.91Å; Y187-L213 WeakPolarHBondContact OH-CD2 3.04Å; Y187-L213 VanDerWaalsContact OH-CG 3.26Å; Y187-L213 WeakPolarHBondContact OH-CG 3.49Å; Y187-G237 PolarHBondContact N-O 2.77Å; Y187-I238 HydrophobicContact CD2-CG1 4.2Å; Y187-T239 PolarHBondContact O-N 2.89Å
188	I	97.7	Very high	90.5	Very high	20 Å²	20	24.3 Å²	24.3	10%	0.103	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	114	167.2	-53.7	179.9	0	0	0	107.7	V109 V110 A111 V112 M190 T239	V109-I188 HydrophobicContact CG1-CD1 3.42Å; V109-I188 VanDerWaalsContact CG1-CD1 3.42Å; V109-I188 HydrophobicContact CG1-CG1 3.93Å; V110-I188 PolarHBondContact O-N 3.41Å; A111-I188 WeakPolarHBondContact CA-O 3.44Å; A111-I188 HydrophobicContact CB-CB 4.32Å; V112-I188 PolarHBondContact N-O 3.48Å; I188-M190 HydrophobicContact CG2-CG 3.8Å; I188-T239 HydrophobicContact CG2-CG2 4.38Å
189	V	97.4	Very high	91	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	108	175.1	-176.8	0	0	0	0	108.1	V112 F194 F205 I206 L209 I238 T239 I240 E241	V112-V189 HydrophobicContact CG2-CG2 4.25Å; V189-F194 HydrophobicContact CG1-CB 4.11Å; V189-F194 HydrophobicContact CG1-CD1 4.14Å; V189-F194 HydrophobicContact CG1-CD2 3.94Å; V189-F194 HydrophobicContact CG1-CE2 4.42Å; V189-F194 HydrophobicContact CG1-CG 3.78Å; V189-F205 HydrophobicContact CG1-CD1 4.46Å; V189-F205 HydrophobicContact CG1-CE1 3.85Å; V189-F205 HydrophobicContact CG2-CE1 4.16Å; V189-I206 HydrophobicContact CG2-CD1 4.36Å; V189-L209 HydrophobicContact CG2-CD1 4.03Å; V189-I238 HydrophobicContact CG2-CG2 4.03Å; V189-T239 PolarHBondContact N-O 3.5Å; V189-I240 HydrophobicContact CB-CG1 4.36Å; V189-I240 HydrophobicContact CG2-CG1 4.42Å; V189-E241 PolarHBondContact O-N 3.16Å
190	M	93.2	Very high	91.8	Very high	17 Å²	17	32.2 Å²	32.2	8%	0.084	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	155.6	-175.9	-59.7	-174.6	-47.5	0	0	112.1	A111 V112 M113 C114 Y147 T153 I188 E241	A111-M190 HydrophobicContact CB-CE 3.83Å; A111-M190 HydrophobicContact CB-SD 3.86Å; V112-M190 PolarHBondContact O-N 3.25Å; M113-M190 HydrophobicContact CE-CE 3.53Å; M113-M190 HydrophobicContact CG-CB 4.16Å; M113-M190 HydrophobicContact CG-CE 3.71Å; M113-M190 HydrophobicContact SD-CE 4.4Å; C114-M190 PolarHBondContact N-O 3.13Å; C114-M190 PolarHBondContact SG-O 3.45Å; Y147-M190 HydrophobicContact CE2-CB 4.4Å; T153-M190 HydrophobicContact CG2-CE 3.21Å; I188-M190 HydrophobicContact CG2-CG 3.8Å; M190-E241 WeakPolarHBondContact CA-OE2 3.03Å
191	G	80.6	Confident	92.5	Very high	3 Å²	3	33.4 Å²	33.4	3%	0.031	19%	0.187	C	C	.	.	S	Bend	trans	135.9	-8.6	178.9	0	0	0	0	0	113.3	T193 E241	G191-T193 PolarHBondContact O-N 2.77Å; G191-E241 PolarHBondContact N-OE2 2.98Å
192	G	75.9	Confident	93.2	Very high	21 Å²	21	30.6 Å²	30.6	22%	0.216	17%	0.167	C	C	.	.	S	Bend	trans	74.7	-20.7	172.8	0	0	0	0	0	116.2	T242	G192-T242 CarbonylContact O-C 3.55Å; G192-T242 VanDerWaalsContact O-CA 3.26Å; G192-T242 WeakPolarHBondContact O-CA 3.24Å
193	T	91.2	Very high	93.7	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.012	18%	0.175	C	C	.	.			trans	-135.4	25.4	-177.2	50.9	0	0	0	0	113.6	H117 C119 G191 M195 S196 R243	H117-T193 PolarHBondContact CE1-OG1 2.91Å; H117-T193 PolarHBondContact NE2-O 3.3Å; H117-T193 VanDerWaalsContact NE2-O 3.11Å; H117-T193 PolarHBondContact NE2-OG1 3.31Å; C119-T193 WeakPolarHBondContact SG-CG2 3.17Å; G191-T193 PolarHBondContact O-N 2.77Å; T193-M195 PolarHBondContact O-N 2.91Å; T193-S196 PolarHBondContact O-N 3.24Å; T193-S196 PolarHBondContact O-OG 3.31Å; T193-R243 HydrophobicContact CG2-CG 4.15Å
194	F	95.6	Very high	94.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-49.3	-38.7	180	172.2	-107.6	0	0	0	113.5	C114 V189 S196 L197 Y201 R202 F205 I206 I240 Y258	C114-F194 HydrophobicContact CB-CD2 3.77Å; C114-F194 HydrophobicContact CB-CE2 4.45Å; V189-F194 HydrophobicContact CG1-CB 4.11Å; V189-F194 HydrophobicContact CG1-CD1 4.14Å; V189-F194 HydrophobicContact CG1-CD2 3.94Å; V189-F194 HydrophobicContact CG1-CE2 4.42Å; V189-F194 HydrophobicContact CG1-CG 3.78Å; F194-S196 PolarHBondContact O-N 2.85Å; F194-L197 HydrophobicContact CD2-CD1 4.17Å; F194-L197 WeakPolarHBondContact O-CB 3.47Å; F194-L197 PolarHBondContact O-N 3.01Å; F194-Y201 HydrophobicContact CE2-CE1 4.39Å; F194-R202 HydrophobicContact CE1-CB 4.29Å; F194-R202 HydrophobicContact CE1-CG 4.17Å; F194-R202 HydrophobicContact CE2-CB 4.46Å; F194-R202 HydrophobicContact CE2-CG 4.16Å; F194-R202 HydrophobicContact CZ-CB 3.83Å; F194-R202 HydrophobicContact CZ-CG 3.85Å; F194-F205 HydrophobicContact CE2-CB 3.88Å; F194-F205 AromaticContact CE2-CD1 3.78Å; F194-F205 HydrophobicContact CE2-CD1 3.78Å; F194-F205 AromaticContact CE2-CG 3.86Å; F194-F205 HydrophobicContact CE2-CG 3.86Å; F194-F205 HydrophobicContact CZ-CB 4.18Å; F194-F205 HydrophobicContact CZ-CD1 4.11Å; F194-F205 HydrophobicContact CZ-CG 4.4Å; F194-I206 HydrophobicContact CE1-CD1 4.19Å; F194-I206 HydrophobicContact CE1-CG1 4.27Å; F194-I206 HydrophobicContact CZ-CD1 4.12Å; F194-I206 HydrophobicContact CZ-CG1 3.99Å; F194-I240 HydrophobicContact CD1-CG2 4.11Å; F194-Y258 HydrophobicContact CE1-CE2 4.25Å
195	M	96.2	Very high	94.6	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.015	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-71.9	-11.2	-179.1	-65.7	-60.7	-70.7	0	0	114.9	T193 L197 I240 Y246 H251 E254 M255 Y258	T193-M195 PolarHBondContact O-N 2.91Å; M195-L197 VanDerWaalsContact C-N 3.3Å; M195-I240 HydrophobicContact CG-CG2 4.23Å; M195-Y246 HydrophobicContact CB-CD1 4.12Å; M195-Y246 HydrophobicContact CB-CG 4.31Å; M195-Y246 WeakPolarHBondContact O-CD1 3.39Å; M195-H251 HydrophobicContact CE-CB 3.87Å; M195-E254 HydrophobicContact CE-CB 4.33Å; M195-M255 HydrophobicContact CB-CE 4.5Å; M195-M255 HydrophobicContact CE-CE 3.77Å; M195-M255 HydrophobicContact CE-CG 3.72Å; M195-M255 HydrophobicContact CG-CE 3.36Å; M195-M255 HydrophobicContact SD-CE 3.82Å; M195-M255 HydrophobicContact SD-CG 3.96Å; M195-Y258 HydrophobicContact SD-CE2 4.24Å
196	S	95.2	Very high	94.8	Very high	31 Å²	31	26.8 Å²	26.8	22%	0.217	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-86.2	-2.8	172.4	74.8	0	0	0	0	113.2	T193 F194 Y246	T193-S196 PolarHBondContact O-N 3.24Å; T193-S196 PolarHBondContact O-OG 3.31Å; F194-S196 PolarHBondContact O-N 2.85Å; S196-Y246 VanDerWaalsContact CA-CE1 3.44Å
197	L	95.7	Very high	94.9	Very high	12 Å²	12	28.6 Å²	28.6	6%	0.063	15%	0.152	C	C	.	.	S	Bend	trans	-78.6	153.1	175.1	-67.8	172.7	0	0	0	111.2	C114 K115 H117 F194 M195 Y201 R202	C114-L197 HydrophobicContact CB-CD1 4.17Å; K115-L197 HydrophobicContact CG-CD1 4.28Å; K115-L197 HydrophobicContact CG-CD2 4.46Å; H117-L197 HydrophobicContact CB-CD2 3.81Å; H117-L197 VanDerWaalsContact CG-CD2 3.48Å; F194-L197 HydrophobicContact CD2-CD1 4.17Å; F194-L197 WeakPolarHBondContact O-CB 3.47Å; F194-L197 PolarHBondContact O-N 3.01Å; M195-L197 VanDerWaalsContact C-N 3.3Å; L197-Y201 HydrophobicContact CB-CD1 3.96Å; L197-Y201 HydrophobicContact CD1-CD1 3.49Å; L197-Y201 VanDerWaalsContact CD1-CD1 3.49Å; L197-Y201 HydrophobicContact CD1-CE1 3.38Å; L197-Y201 HydrophobicContact CG-CD1 4.27Å; L197-R202 HydrophobicContact CB-CG 4.11Å; L197-R202 VanDerWaalsContact O-CD 3.28Å; L197-R202 WeakPolarHBondContact O-CD 3.35Å; L197-R202 PolarHBondContact O-NE 3.39Å
198	P	96.5	Very high	94.9	Very high	70 Å²	70	29.8 Å²	29.8	46%	0.455	16%	0.158	S	C	.	.			trans	-52.5	145.7	175.5	-30.8	38.8	0	0	0	114	D200 Y201 R202	P198-D200 VanDerWaalsContact C-N 3.29Å; P198-D200 WeakPolarHBondContact CB-OD1 3.38Å; P198-D200 PolarHBondContact O-N 3.48Å; P198-Y201 PolarHBondContact O-N 3.11Å; P198-Y201 VanDerWaalsContact O-N 3.1Å; P198-R202 WeakPolarHBondContact O-CG 3.13Å; P198-R202 PolarHBondContact O-N 3.1Å
199	D	96	Very high	94.9	Very high	88 Å²	88	28.9 Å²	28.9	47%	0.471	15%	0.153	S	C	.	.	H	α-helix	trans	-56.7	-40	-174	-62.4	3.7	0	0	0	112.6	R202 D203	D199-R202 PolarHBondContact O-N 2.98Å; D199-R202 IonicContact OD1-CZ 2.57Å; D199-R202 IonicContact OD1-NE 3.64Å; D199-R202 IonicContact OD1-NH2 3.95Å; D199-R202 PolarHBondContact OD1-NH2 2.95Å; D199-D203 WeakPolarHBondContact O-CB 3.49Å; D199-D203 PolarHBondContact O-N 3.22Å
200	D	97.2	Very high	94.9	Very high	118 Å²	118	28.9 Å²	28.9	63%	0.631	15%	0.153	S	C	*	.	H	α-helix	trans	-62.7	-41.8	177.4	65.5	-31	0	0	0	112.3	P198 Y204	P198-D200 VanDerWaalsContact C-N 3.29Å; P198-D200 WeakPolarHBondContact CB-OD1 3.38Å; P198-D200 PolarHBondContact O-N 3.48Å; D200-Y204 WeakPolarHBondContact O-CB 3.43Å; D200-Y204 PolarHBondContact O-N 2.86Å
201	Y	97.5	Very high	95.2	Very high	32 Å²	32	28.2 Å²	28.2	13%	0.125	15%	0.15	C	C	.	.	H	α-helix	trans	-68.1	-41.3	175.1	-179.1	-91.9	0	0	0	111.5	C114 K115 F194 L197 P198 Y204 F205	C114-Y201 HydrophobicContact CB-CE1 4.31Å; K115-Y201 HydrophobicContact CB-CE2 4.41Å; K115-Y201 WeakPolarHBondContact CB-OH 3.47Å; K115-Y201 HydrophobicContact CD-CD2 4Å; K115-Y201 HydrophobicContact CD-CE1 4.27Å; K115-Y201 HydrophobicContact CD-CE2 3.59Å; K115-Y201 HydrophobicContact CD-CG 4.49Å; K115-Y201 HydrophobicContact CG-CE1 4.03Å; K115-Y201 HydrophobicContact CG-CE2 4.01Å; K115-Y201 PolarHBondContact N-OH 3.29Å; F194-Y201 HydrophobicContact CE2-CE1 4.39Å; L197-Y201 HydrophobicContact CB-CD1 3.96Å; L197-Y201 HydrophobicContact CD1-CD1 3.49Å; L197-Y201 VanDerWaalsContact CD1-CD1 3.49Å; L197-Y201 HydrophobicContact CD1-CE1 3.38Å; L197-Y201 HydrophobicContact CG-CD1 4.27Å; P198-Y201 PolarHBondContact O-N 3.11Å; P198-Y201 VanDerWaalsContact O-N 3.1Å; Y201-Y204 PolarHBondContact O-N 3.33Å; Y201-F205 HydrophobicContact CE1-CB 4.28Å; Y201-F205 HydrophobicContact CE1-CD2 4.12Å; Y201-F205 HydrophobicContact CE1-CG 4.48Å; Y201-F205 AromaticContact CZ-CD2 3.98Å; Y201-F205 VanDerWaalsContact O-CB 3.27Å; Y201-F205 WeakPolarHBondContact O-CB 3.26Å; Y201-F205 PolarHBondContact O-N 3.34Å
202	R	97.7	Very high	96	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-63.5	-44.1	178.9	-65.7	-173.4	-66.2	145.9	-1.4	110.8	F194 L197 P198 D199 F205 I206 E254 Y258	F194-R202 HydrophobicContact CE1-CB 4.29Å; F194-R202 HydrophobicContact CE1-CG 4.17Å; F194-R202 HydrophobicContact CE2-CB 4.46Å; F194-R202 HydrophobicContact CE2-CG 4.16Å; F194-R202 HydrophobicContact CZ-CB 3.83Å; F194-R202 HydrophobicContact CZ-CG 3.85Å; L197-R202 HydrophobicContact CB-CG 4.11Å; L197-R202 VanDerWaalsContact O-CD 3.28Å; L197-R202 WeakPolarHBondContact O-CD 3.35Å; L197-R202 PolarHBondContact O-NE 3.39Å; P198-R202 WeakPolarHBondContact O-CG 3.13Å; P198-R202 PolarHBondContact O-N 3.1Å; D199-R202 PolarHBondContact O-N 2.98Å; D199-R202 IonicContact OD1-CZ 2.57Å; D199-R202 IonicContact OD1-NE 3.64Å; D199-R202 IonicContact OD1-NH2 3.95Å; D199-R202 PolarHBondContact OD1-NH2 2.95Å; R202-F205 PolarHBondContact O-N 3.04Å; R202-I206 WeakPolarHBondContact O-CG1 3.4Å; R202-I206 PolarHBondContact O-N 2.9Å; R202-E254 IonicContact CZ-OE2 2.75Å; R202-E254 VanDerWaalsContact CZ-OE2 3.27Å; R202-E254 IonicContact NH1-OE2 3.03Å; R202-E254 PolarHBondContact NH1-OE2 2.71Å; R202-E254 IonicContact NH2-OE1 2.67Å; R202-E254 PolarHBondContact NH2-OE1 2.63Å; R202-E254 IonicContact NH2-OE2 3.48Å; R202-E254 PolarHBondContact NH2-OE2 2.69Å; R202-Y258 HydrophobicContact CB-CE2 4.47Å; R202-Y258 WeakPolarHBondContact CB-OH 3.36Å
203	D	98.1	Very high	96.9	Very high	36 Å²	36	28.2 Å²	28.2	19%	0.193	15%	0.146	C	C	.	.	H	α-helix	trans	-61.4	-51	174.2	-179.3	-77.7	0	0	0	111.6	D199 F205 I206 R207 V221	D199-D203 WeakPolarHBondContact O-CB 3.49Å; D199-D203 PolarHBondContact O-N 3.22Å; D203-F205 VanDerWaalsContact C-N 3.26Å; D203-F205 PolarHBondContact O-N 2.84Å; D203-I206 PolarHBondContact O-N 3.49Å; D203-R207 WeakPolarHBondContact O-CB 3.34Å; D203-R207 PolarHBondContact O-N 3.01Å; D203-R207 IonicContact OD1-CZ 3.8Å; D203-R207 IonicContact OD1-NE 2.99Å; D203-R207 PolarHBondContact OD1-NE 3.46Å; D203-R207 IonicContact OD1-NH2 3.84Å; D203-R207 PolarHBondContact OD1-NH2 3.29Å; D203-V221 HydrophobicContact CB-CG2 4.2Å; D203-V221 VanDerWaalsContact O-CG2 3.29Å; D203-V221 WeakPolarHBondContact O-CG2 3.26Å; D203-V221 WeakPolarHBondContact OD2-CB 3.28Å; D203-V221 VanDerWaalsContact OD2-CG2 3.24Å; D203-V221 WeakPolarHBondContact OD2-CG2 3.38Å; D203-V221 PolarHBondContact OD2-N 3.47Å
204	Y	98.2	Very high	97.1	Very high	89 Å²	89	29.7 Å²	29.7	35%	0.349	16%	0.157	S	C	.	.	H	α-helix	trans	-53.9	-43.6	174.3	169.2	-97.5	0	0	0	112.1	P164 D200 Y201 R207 N208	P164-Y204 HydrophobicContact CG-CD1 4.47Å; P164-Y204 HydrophobicContact CG-CE1 3.89Å; D200-Y204 WeakPolarHBondContact O-CB 3.43Å; D200-Y204 PolarHBondContact O-N 2.86Å; Y201-Y204 PolarHBondContact O-N 3.33Å; Y204-R207 WeakPolarHBondContact O-CG 3.2Å; Y204-N208 VanDerWaalsContact CD2-ND2 3.31Å; Y204-N208 WeakPolarHBondContact CD2-ND2 3.29Å; Y204-N208 WeakPolarHBondContact CE2-ND2 3.37Å; Y204-N208 WeakPolarHBondContact O-CB 3.17Å; Y204-N208 PolarHBondContact O-N 2.93Å; Y204-N208 PolarHBondContact O-ND2 3.15Å
205	F	98.2	Very high	97.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-52.1	-177.7	-166.6	-88.8	0	0	0	111.5	V112 M113 C114 P164 V189 F194 Y201 R202 D203 N208 L209	V112-F205 HydrophobicContact CB-CZ 4.35Å; V112-F205 HydrophobicContact CG2-CE1 3.93Å; V112-F205 HydrophobicContact CG2-CZ 3.93Å; M113-F205 WeakPolarHBondContact O-CE2 3.49Å; C114-F205 HydrophobicContact CB-CE2 4.16Å; C114-F205 HydrophobicContact CB-CZ 4.34Å; P164-F205 HydrophobicContact CB-CD1 4.5Å; P164-F205 HydrophobicContact CB-CD2 3.77Å; P164-F205 HydrophobicContact CB-CE2 3.79Å; P164-F205 HydrophobicContact CB-CG 4.14Å; P164-F205 HydrophobicContact CB-CZ 4.19Å; P164-F205 HydrophobicContact CG-CD2 4.03Å; P164-F205 HydrophobicContact CG-CE2 4.42Å; P164-F205 HydrophobicContact CG-CG 4.49Å; V189-F205 HydrophobicContact CG1-CD1 4.46Å; V189-F205 HydrophobicContact CG1-CE1 3.85Å; V189-F205 HydrophobicContact CG2-CE1 4.16Å; F194-F205 HydrophobicContact CE2-CB 3.88Å; F194-F205 AromaticContact CE2-CD1 3.78Å; F194-F205 HydrophobicContact CE2-CD1 3.78Å; F194-F205 AromaticContact CE2-CG 3.86Å; F194-F205 HydrophobicContact CE2-CG 3.86Å; F194-F205 HydrophobicContact CZ-CB 4.18Å; F194-F205 HydrophobicContact CZ-CD1 4.11Å; F194-F205 HydrophobicContact CZ-CG 4.4Å; Y201-F205 HydrophobicContact CE1-CB 4.28Å; Y201-F205 HydrophobicContact CE1-CD2 4.12Å; Y201-F205 HydrophobicContact CE1-CG 4.48Å; Y201-F205 AromaticContact CZ-CD2 3.98Å; Y201-F205 VanDerWaalsContact O-CB 3.27Å; Y201-F205 WeakPolarHBondContact O-CB 3.26Å; Y201-F205 PolarHBondContact O-N 3.34Å; R202-F205 PolarHBondContact O-N 3.04Å; D203-F205 VanDerWaalsContact C-N 3.26Å; D203-F205 PolarHBondContact O-N 2.84Å; F205-N208 PolarHBondContact O-N 3.32Å; F205-L209 HydrophobicContact CD1-CD1 4.17Å; F205-L209 HydrophobicContact CD1-CG 4.47Å; F205-L209 HydrophobicContact CE1-CD1 3.92Å; F205-L209 HydrophobicContact CE1-CD2 4.45Å; F205-L209 HydrophobicContact CE1-CG 4.36Å; F205-L209 WeakPolarHBondContact O-CG 3.3Å; F205-L209 PolarHBondContact O-N 2.96Å
206	I	98.2	Very high	97	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68	-42.8	-176.3	-65.2	-62.7	0	0	0	111.8	V189 F194 R202 D203 N208 L209 H210 V221 Y258	V189-I206 HydrophobicContact CG2-CD1 4.36Å; F194-I206 HydrophobicContact CE1-CD1 4.19Å; F194-I206 HydrophobicContact CE1-CG1 4.27Å; F194-I206 HydrophobicContact CZ-CD1 4.12Å; F194-I206 HydrophobicContact CZ-CG1 3.99Å; R202-I206 WeakPolarHBondContact O-CG1 3.4Å; R202-I206 PolarHBondContact O-N 2.9Å; D203-I206 PolarHBondContact O-N 3.49Å; I206-N208 PolarHBondContact O-N 3.21Å; I206-L209 HydrophobicContact CD1-CD1 4.3Å; I206-L209 WeakPolarHBondContact O-CB 3.3Å; I206-L209 PolarHBondContact O-N 3.29Å; I206-H210 PolarHBondContact O-N 3.44Å; I206-V221 HydrophobicContact CB-CG2 3.84Å; I206-V221 HydrophobicContact CG2-CG1 3.87Å; I206-V221 HydrophobicContact CG2-CG2 3.84Å; I206-Y258 HydrophobicContact CB-CD1 4.47Å; I206-Y258 HydrophobicContact CB-CG 4.37Å; I206-Y258 HydrophobicContact CD1-CD2 4.3Å; I206-Y258 HydrophobicContact CD1-CG 4.48Å; I206-Y258 HydrophobicContact CG1-CD1 4.3Å; I206-Y258 HydrophobicContact CG1-CD2 3.83Å; I206-Y258 HydrophobicContact CG1-CE2 4.27Å; I206-Y258 HydrophobicContact CG1-CG 3.85Å; I206-Y258 HydrophobicContact CG2-CD1 4.22Å; I206-Y258 HydrophobicContact CG2-CG 4.05Å
207	R	97.8	Very high	97.1	Very high	55 Å²	55	39.9 Å²	39.9	21%	0.208	23%	0.227	C	C	.	.	H	α-helix	trans	-58.2	-42.6	-179.7	83.2	175.9	89.5	163.2	1.2	110.8	D203 Y204 L209 H210 D211 S218 C219 V221 A224	D203-R207 WeakPolarHBondContact O-CB 3.34Å; D203-R207 PolarHBondContact O-N 3.01Å; D203-R207 IonicContact OD1-CZ 3.8Å; D203-R207 IonicContact OD1-NE 2.99Å; D203-R207 PolarHBondContact OD1-NE 3.46Å; D203-R207 IonicContact OD1-NH2 3.84Å; D203-R207 PolarHBondContact OD1-NH2 3.29Å; Y204-R207 WeakPolarHBondContact O-CG 3.2Å; R207-L209 VanDerWaalsContact C-N 3.28Å; R207-L209 PolarHBondContact O-N 3.13Å; R207-H210 WeakPolarHBondContact O-CB 3.29Å; R207-H210 PolarHBondContact O-N 3.37Å; R207-H210 VanDerWaalsContact O-N 3.1Å; R207-D211 WeakPolarHBondContact O-CB 3.21Å; R207-D211 PolarHBondContact O-N 3.25Å; R207-S218 WeakPolarHBondContact CD-O 3.44Å; R207-C219 VanDerWaalsContact CZ-O 3.23Å; R207-C219 VanDerWaalsContact NH1-C 3.34Å; R207-C219 PolarHBondContact NH1-O 3.4Å; R207-V221 HydrophobicContact CB-CG2 3.96Å; R207-A224 HydrophobicContact CB-CB 3.92Å
208	N	98.3	Very high	97.1	Very high	25 Å²	25	39.7 Å²	39.7	13%	0.134	23%	0.227	C	C	.	.	H	α-helix	trans	-67.3	-26.1	180	-84.8	-81.1	0	0	0	113.3	P164 F165 Y204 F205 I206 A212	P164-N208 HydrophobicContact CB-CB 3.94Å; P164-N208 HydrophobicContact CG-CB 3.52Å; F165-N208 HydrophobicContact CB-CB 4.14Å; Y204-N208 VanDerWaalsContact CD2-ND2 3.31Å; Y204-N208 WeakPolarHBondContact CD2-ND2 3.29Å; Y204-N208 WeakPolarHBondContact CE2-ND2 3.37Å; Y204-N208 WeakPolarHBondContact O-CB 3.17Å; Y204-N208 PolarHBondContact O-N 2.93Å; Y204-N208 PolarHBondContact O-ND2 3.15Å; F205-N208 PolarHBondContact O-N 3.32Å; I206-N208 PolarHBondContact O-N 3.21Å; N208-A212 VanDerWaalsContact O-CB 3.29Å; N208-A212 WeakPolarHBondContact O-CB 3.32Å; N208-A212 PolarHBondContact O-N 3.01Å
209	L	98.3	Very high	97.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69.8	-40.7	171.9	-61.6	-176.9	0	0	0	111.7	V112 P164 A168 Y187 V189 F205 I206 R207	V112-L209 HydrophobicContact CB-CD2 4.46Å; V112-L209 HydrophobicContact CG1-CD2 4.1Å; V112-L209 HydrophobicContact CG2-CD1 4.09Å; V112-L209 HydrophobicContact CG2-CD2 4Å; P164-L209 HydrophobicContact CB-CD2 3.99Å; A168-L209 HydrophobicContact CB-CD2 4.09Å; Y187-L209 HydrophobicContact CD2-CB 4.21Å; Y187-L209 HydrophobicContact CE1-CD2 4.34Å; Y187-L209 HydrophobicContact CE2-CB 3.88Å; Y187-L209 WeakPolarHBondContact CE2-O 3.45Å; Y187-L209 HydrophobicContact CG-CD1 4.41Å; Y187-L209 PolarHBondContact OH-O 3.24Å; V189-L209 HydrophobicContact CG2-CD1 4.03Å; F205-L209 HydrophobicContact CD1-CD1 4.17Å; F205-L209 HydrophobicContact CD1-CG 4.47Å; F205-L209 HydrophobicContact CE1-CD1 3.92Å; F205-L209 HydrophobicContact CE1-CD2 4.45Å; F205-L209 HydrophobicContact CE1-CG 4.36Å; F205-L209 WeakPolarHBondContact O-CG 3.3Å; F205-L209 PolarHBondContact O-N 2.96Å; I206-L209 HydrophobicContact CD1-CD1 4.3Å; I206-L209 WeakPolarHBondContact O-CB 3.3Å; I206-L209 PolarHBondContact O-N 3.29Å; R207-L209 VanDerWaalsContact C-N 3.28Å; R207-L209 PolarHBondContact O-N 3.13Å
210	H	98.3	Very high	97.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.1	-44.6	174.2	-79.7	-71	0	0	0	111.5	I206 R207 A212 L213 S214 A224 S228 Y258	I206-H210 PolarHBondContact O-N 3.44Å; R207-H210 WeakPolarHBondContact O-CB 3.29Å; R207-H210 PolarHBondContact O-N 3.37Å; R207-H210 VanDerWaalsContact O-N 3.1Å; H210-A212 VanDerWaalsContact C-N 3.32Å; H210-A212 PolarHBondContact O-N 3.33Å; H210-L213 WeakPolarHBondContact O-CA 3.47Å; H210-L213 WeakPolarHBondContact O-CB 3.32Å; H210-L213 PolarHBondContact O-N 2.95Å; H210-S214 PolarHBondContact O-N 2.86Å; H210-S214 PolarHBondContact O-OG 2.92Å; H210-A224 HydrophobicContact CB-CB 3.77Å; H210-S228 VanDerWaalsContact ND1-CB 3.26Å; H210-S228 WeakPolarHBondContact ND1-CB 3.34Å; H210-S228 PolarHBondContact ND1-OG 2.71Å; H210-Y258 PolarHBondContact NE2-O 3.35Å
211	D	97.8	Very high	97.2	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-36.5	177.9	-74.6	-8.7	0	0	0	112.5	F165 R207 L213 S214 G215 H216 S218	F165-D211 HydrophobicContact CD2-CB 4.35Å; F165-D211 HydrophobicContact CE2-CB 4.35Å; R207-D211 WeakPolarHBondContact O-CB 3.21Å; R207-D211 PolarHBondContact O-N 3.25Å; D211-L213 PolarHBondContact O-N 3.34Å; D211-L213 VanDerWaalsContact O-N 3.14Å; D211-S214 WeakPolarHBondContact CA-OG 3.13Å; D211-S214 PolarHBondContact O-N 3.29Å; D211-G215 WeakPolarHBondContact O-CA 3.14Å; D211-G215 PolarHBondContact O-N 3.29Å; D211-H216 WeakPolarHBondContact CB-O 3.23Å; D211-S218 PolarHBondContact OD1-OG 3.47Å; D211-S218 PolarHBondContact OD2-N 2.94Å
212	A	97.3	Very high	97.2	Very high	14 Å²	14	36.8 Å²	36.8	12%	0.116	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-22.8	173	0	0	0	0	0	113.5	F165 A168 N208 H210	F165-A212 HydrophobicContact CD2-CB 3.86Å; F165-A212 HydrophobicContact CE2-CB 4.16Å; F165-A212 HydrophobicContact CG-CB 4.41Å; A168-A212 HydrophobicContact CB-CB 3.63Å; N208-A212 VanDerWaalsContact O-CB 3.29Å; N208-A212 WeakPolarHBondContact O-CB 3.32Å; N208-A212 PolarHBondContact O-N 3.01Å; H210-A212 VanDerWaalsContact C-N 3.32Å; H210-A212 PolarHBondContact O-N 3.33Å
213	L	96.2	Very high	97.2	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.047	24%	0.238	C	C	.	.	H	α-helix	trans	-95.3	-42.6	175.1	-57.4	-175.3	0	0	0	113	I172 V185 Y187 H210 D211 S231 I233 C235	I172-L213 HydrophobicContact CD1-CD2 3.24Å; I172-L213 HydrophobicContact CG1-CD2 4.48Å; V185-L213 HydrophobicContact CB-CD1 4.4Å; V185-L213 HydrophobicContact CB-CD2 4.44Å; V185-L213 HydrophobicContact CG1-CD2 4.46Å; V185-L213 HydrophobicContact CG2-CD2 4.31Å; Y187-L213 HydrophobicContact CE2-CD1 3.55Å; Y187-L213 HydrophobicContact CE2-CD2 4.36Å; Y187-L213 HydrophobicContact CE2-CG 3.91Å; Y187-L213 WeakPolarHBondContact OH-CD2 3.04Å; Y187-L213 VanDerWaalsContact OH-CG 3.26Å; Y187-L213 WeakPolarHBondContact OH-CG 3.49Å; H210-L213 WeakPolarHBondContact O-CA 3.47Å; H210-L213 WeakPolarHBondContact O-CB 3.32Å; H210-L213 PolarHBondContact O-N 2.95Å; D211-L213 PolarHBondContact O-N 3.34Å; D211-L213 VanDerWaalsContact O-N 3.14Å; L213-S231 PolarHBondContact O-OG 3.21Å; L213-I233 HydrophobicContact CD1-CG2 4.49Å; L213-I233 HydrophobicContact CD2-CB 4.43Å; L213-I233 HydrophobicContact CD2-CG2 3.73Å; L213-I233 HydrophobicContact CG-CG2 4.47Å; L213-C235 HydrophobicContact CD1-CB 3.63Å
214	S	95.7	Very high	97.2	Very high	33 Å²	33	37.5 Å²	37.5	23%	0.231	23%	0.229	C	C	.	.	H	α-helix	trans	-75.5	-30.2	-176.8	65.8	0	0	0	0	112.3	H210 D211 H216	H210-S214 PolarHBondContact O-N 2.86Å; H210-S214 PolarHBondContact O-OG 2.92Å; D211-S214 WeakPolarHBondContact CA-OG 3.13Å; D211-S214 PolarHBondContact O-N 3.29Å; S214-H216 WeakPolarHBondContact OG-CB 3.45Å; S214-H216 PolarHBondContact OG-N 2.98Å; S214-H216 VanDerWaalsContact OG-N 3.11Å
215	G	94.3	Very high	97.1	Very high	67 Å²	67	33.9 Å²	33.9	69%	0.691	22%	0.216	S	C	*	.			trans	76.4	4.8	-169	0	0	0	0	0	113.7	D211	D211-G215 WeakPolarHBondContact O-CA 3.14Å; D211-G215 PolarHBondContact O-N 3.29Å
216	H	94.8	Very high	97	Very high	59 Å²	59	40.1 Å²	40.1	27%	0.273	24%	0.241	S	C	.	.			trans	-84.3	170.3	174.4	-169.2	55.2	0	0	0	110.8	D211 S214 S218 E223 F227	D211-H216 WeakPolarHBondContact CB-O 3.23Å; S214-H216 WeakPolarHBondContact OG-CB 3.45Å; S214-H216 PolarHBondContact OG-N 2.98Å; S214-H216 VanDerWaalsContact OG-N 3.11Å; H216-S218 PolarHBondContact CD2-OG 3.46Å; H216-S218 VanDerWaalsContact CD2-OG 3.25Å; H216-E223 IonicContact CD2-OE1 2.91Å; H216-E223 IonicContact CE1-OE1 3.73Å; H216-E223 IonicContact NE2-OE1 2.69Å; H216-E223 PolarHBondContact NE2-OE1 2.79Å; H216-F227 HydrophobicContact CB-CB 4.31Å; H216-F227 HydrophobicContact CB-CG 4.42Å; H216-F227 AromaticContact CD2-CD2 3.31Å; H216-F227 WeakPolarHBondContact CD2-CD2 3.36Å; H216-F227 AromaticContact CD2-CE2 3.66Å; H216-F227 AromaticContact CD2-CG 3.75Å; H216-F227 AromaticContact CE1-CE2 3.95Å; H216-F227 AromaticContact NE2-CD2 3.54Å; H216-F227 AromaticContact NE2-CE2 3.34Å; H216-F227 VanDerWaalsContact NE2-CE2 3.34Å; H216-F227 WeakPolarHBondContact NE2-CE2 3.4Å; H216-F227 AromaticContact NE2-CZ 3.9Å
217	T	96.4	Very high	96.9	Very high	122 Å²	122	43.7 Å²	43.7	75%	0.748	26%	0.257	S	S	*	.			trans	-126.3	109.3	172.4	-56.5	0	0	0	0	108.2
218	S	97.2	Very high	96.8	Very high	9 Å²	9	41.1 Å²	41.1	6%	0.063	25%	0.247	C	C	.	.			trans	-101.1	148.3	-172.9	-75.7	0	0	0	0	115	R207 D211 H216 D220 E223 A224	R207-S218 WeakPolarHBondContact CD-O 3.44Å; D211-S218 PolarHBondContact OD1-OG 3.47Å; D211-S218 PolarHBondContact OD2-N 2.94Å; H216-S218 PolarHBondContact CD2-OG 3.46Å; H216-S218 VanDerWaalsContact CD2-OG 3.25Å; S218-D220 WeakPolarHBondContact CB-O 3.24Å; S218-E223 WeakPolarHBondContact CA-OE2 3.43Å; S218-A224 WeakPolarHBondContact OG-CA 3.36Å; S218-A224 PolarHBondContact OG-N 2.85Å; S218-A224 VanDerWaalsContact OG-N 3.13Å
219	C	96.7	Very high	96.6	Very high	100 Å²	100	40.7 Å²	40.7	68%	0.676	24%	0.244	S	C	*	.	S	Bend	trans	-75.5	-28.3	175.6	-69.9	0	0	0	0	113.2	R207 E223	R207-C219 VanDerWaalsContact CZ-O 3.23Å; R207-C219 VanDerWaalsContact NH1-C 3.34Å; R207-C219 PolarHBondContact NH1-O 3.4Å; C219-E223 WeakPolarHBondContact CB-OE2 3.42Å; C219-E223 PolarHBondContact N-OE2 2.91Å
220	D	97.6	Very high	96.3	Very high	68 Å²	68	47.3 Å²	47.3	36%	0.364	27%	0.269	S	S	.	.	S	Bend	trans	-152.7	175.4	179.1	60.6	40.6	0	0	0	111.3	S218 A222 E223 A224	S218-D220 WeakPolarHBondContact CB-O 3.24Å; D220-A222 VanDerWaalsContact C-N 3.33Å; D220-A222 PolarHBondContact O-N 2.99Å; D220-A222 WeakPolarHBondContact OD1-CA 3.42Å; D220-A222 WeakPolarHBondContact OD1-CB 3.46Å; D220-A222 PolarHBondContact OD1-N 3.16Å; D220-E223 WeakPolarHBondContact OD1-CB 3.34Å; D220-E223 PolarHBondContact OD1-N 3.02Å; D220-A224 PolarHBondContact O-N 3.41Å
221	V	97.4	Very high	96	Very high	6 Å²	6	47.8 Å²	47.8	4%	0.036	27%	0.272	C	S	.	.	H	α-helix	trans	-65.2	-33.3	177.4	170.7	0	0	0	0	113	D203 I206 R207 A224 V225 Y258	D203-V221 HydrophobicContact CB-CG2 4.2Å; D203-V221 VanDerWaalsContact O-CG2 3.29Å; D203-V221 WeakPolarHBondContact O-CG2 3.26Å; D203-V221 WeakPolarHBondContact OD2-CB 3.28Å; D203-V221 VanDerWaalsContact OD2-CG2 3.24Å; D203-V221 WeakPolarHBondContact OD2-CG2 3.38Å; D203-V221 PolarHBondContact OD2-N 3.47Å; I206-V221 HydrophobicContact CB-CG2 3.84Å; I206-V221 HydrophobicContact CG2-CG1 3.87Å; I206-V221 HydrophobicContact CG2-CG2 3.84Å; R207-V221 HydrophobicContact CB-CG2 3.96Å; V221-A224 PolarHBondContact O-N 3.45Å; V221-V225 HydrophobicContact CG1-CG2 3.98Å; V221-V225 WeakPolarHBondContact O-CB 3.38Å; V221-V225 VanDerWaalsContact O-CG2 3.3Å; V221-V225 WeakPolarHBondContact O-CG2 3.27Å; V221-V225 PolarHBondContact O-N 3.13Å; V221-Y258 HydrophobicContact CG1-CD1 4.05Å; V221-Y258 HydrophobicContact CG2-CD1 4.43Å
222	A	96.6	Very high	95.7	Very high	72 Å²	72	58.1 Å²	58.1	60%	0.595	31%	0.311	S	S	*	.	H	α-helix	trans	-65.2	-44.5	-176.4	0	0	0	0	0	111.2	D220 V225 Y226	D220-A222 VanDerWaalsContact C-N 3.33Å; D220-A222 PolarHBondContact O-N 2.99Å; D220-A222 WeakPolarHBondContact OD1-CA 3.42Å; D220-A222 WeakPolarHBondContact OD1-CB 3.46Å; D220-A222 PolarHBondContact OD1-N 3.16Å; A222-V225 PolarHBondContact O-N 2.94Å; A222-Y226 PolarHBondContact O-N 3.3Å
223	E	97.6	Very high	95.5	Very high	55 Å²	55	58.9 Å²	58.9	26%	0.257	31%	0.313	S	S	.	.	H	α-helix	trans	-61	-46.2	171.8	-171	-170.8	172	0	0	110.8	H216 S218 C219 D220 V225 Y226 F227	H216-E223 IonicContact CD2-OE1 2.91Å; H216-E223 IonicContact CE1-OE1 3.73Å; H216-E223 IonicContact NE2-OE1 2.69Å; H216-E223 PolarHBondContact NE2-OE1 2.79Å; S218-E223 WeakPolarHBondContact CA-OE2 3.43Å; C219-E223 WeakPolarHBondContact CB-OE2 3.42Å; C219-E223 PolarHBondContact N-OE2 2.91Å; D220-E223 WeakPolarHBondContact OD1-CB 3.34Å; D220-E223 PolarHBondContact OD1-N 3.02Å; E223-V225 VanDerWaalsContact C-N 3.32Å; E223-V225 PolarHBondContact O-N 3.3Å; E223-Y226 WeakPolarHBondContact O-CB 3.14Å; E223-Y226 PolarHBondContact O-N 3.2Å; E223-Y226 VanDerWaalsContact O-N 3.11Å; E223-F227 HydrophobicContact CG-CD2 3.83Å; E223-F227 HydrophobicContact CG-CE2 3.68Å; E223-F227 WeakPolarHBondContact O-CD2 3.28Å; E223-F227 PolarHBondContact O-N 3.03Å; E223-F227 VanDerWaalsContact O-N 3.07Å
224	A	97.9	Very high	95.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.7	-42.3	-178.8	0	0	0	0	0	111.8	R207 H210 S218 D220 V221 S228	R207-A224 HydrophobicContact CB-CB 3.92Å; H210-A224 HydrophobicContact CB-CB 3.77Å; S218-A224 WeakPolarHBondContact OG-CA 3.36Å; S218-A224 PolarHBondContact OG-N 2.85Å; S218-A224 VanDerWaalsContact OG-N 3.13Å; D220-A224 PolarHBondContact O-N 3.41Å; V221-A224 PolarHBondContact O-N 3.45Å; A224-S228 WeakPolarHBondContact O-CB 3.45Å; A224-S228 PolarHBondContact O-N 3.4Å
225	V	97	Very high	95.3	Very high	14 Å²	14	59.6 Å²	59.6	9%	0.085	31%	0.311	C	S	.	.	H	α-helix	trans	-62.3	-43.9	174.8	166.2	0	0	0	0	111.2	V221 A222 E223 F227 S228 E229 V545	V221-V225 HydrophobicContact CG1-CG2 3.98Å; V221-V225 WeakPolarHBondContact O-CB 3.38Å; V221-V225 VanDerWaalsContact O-CG2 3.3Å; V221-V225 WeakPolarHBondContact O-CG2 3.27Å; V221-V225 PolarHBondContact O-N 3.13Å; A222-V225 PolarHBondContact O-N 2.94Å; E223-V225 VanDerWaalsContact C-N 3.32Å; E223-V225 PolarHBondContact O-N 3.3Å; V225-F227 PolarHBondContact O-N 3.13Å; V225-S228 PolarHBondContact O-N 3.11Å; V225-E229 PolarHBondContact O-N 3.39Å; V225-V545 HydrophobicContact CG1-CG1 3.94Å; V225-V545 HydrophobicContact CG1-CG2 3.8Å; V225-V545 HydrophobicContact CG2-CG2 4.36Å; V225-V545 VanDerWaalsContact O-CG1 3.32Å; V225-V545 WeakPolarHBondContact O-CG1 3.44Å
226	Y	95.6	Very high	95.3	Very high	131 Å²	131	58 Å²	58	51%	0.514	29%	0.286	S	S	.	.	H	α-helix	trans	-59.7	-44.3	179.4	176.6	-98.1	0	0	0	112.8	A222 E223 R230	A222-Y226 PolarHBondContact O-N 3.3Å; E223-Y226 WeakPolarHBondContact O-CB 3.14Å; E223-Y226 PolarHBondContact O-N 3.2Å; E223-Y226 VanDerWaalsContact O-N 3.11Å; Y226-R230 VanDerWaalsContact CE2-NH1 3.34Å; Y226-R230 VanDerWaalsContact CZ-NH1 3.3Å; Y226-R230 PolarHBondContact O-NH1 3.44Å; Y226-R230 PolarHBondContact OH-NH2 2.9Å
227	F	96.5	Very high	95.4	Very high	75 Å²	75	55.1 Å²	55.1	33%	0.329	27%	0.273	S	S	.	.	H	α-helix	trans	-75.7	-35.5	176	-75.7	-77.6	0	0	0	112.6	H216 E223 V225 E229 R230 S231	H216-F227 HydrophobicContact CB-CB 4.31Å; H216-F227 HydrophobicContact CB-CG 4.42Å; H216-F227 AromaticContact CD2-CD2 3.31Å; H216-F227 WeakPolarHBondContact CD2-CD2 3.36Å; H216-F227 AromaticContact CD2-CE2 3.66Å; H216-F227 AromaticContact CD2-CG 3.75Å; H216-F227 AromaticContact CE1-CE2 3.95Å; H216-F227 AromaticContact NE2-CD2 3.54Å; H216-F227 AromaticContact NE2-CE2 3.34Å; H216-F227 VanDerWaalsContact NE2-CE2 3.34Å; H216-F227 WeakPolarHBondContact NE2-CE2 3.4Å; H216-F227 AromaticContact NE2-CZ 3.9Å; E223-F227 HydrophobicContact CG-CD2 3.83Å; E223-F227 HydrophobicContact CG-CE2 3.68Å; E223-F227 WeakPolarHBondContact O-CD2 3.28Å; E223-F227 PolarHBondContact O-N 3.03Å; E223-F227 VanDerWaalsContact O-N 3.07Å; V225-F227 PolarHBondContact O-N 3.13Å; F227-E229 PolarHBondContact O-N 2.97Å; F227-R230 PolarHBondContact O-N 3.14Å; F227-S231 PolarHBondContact O-N 2.98Å
228	S	95.6	Very high	95.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-32.2	-180	-169.7	0	0	0	0	112.8	H210 A224 V225 R230 S231	H210-S228 VanDerWaalsContact ND1-CB 3.26Å; H210-S228 WeakPolarHBondContact ND1-CB 3.34Å; H210-S228 PolarHBondContact ND1-OG 2.71Å; A224-S228 WeakPolarHBondContact O-CB 3.45Å; A224-S228 PolarHBondContact O-N 3.4Å; V225-S228 PolarHBondContact O-N 3.11Å; S228-R230 PolarHBondContact O-N 3.34Å; S228-S231 VanDerWaalsContact O-CB 3.3Å; S228-S231 WeakPolarHBondContact O-CB 3.3Å; S228-S231 PolarHBondContact O-N 2.74Å
229	E	93.8	Very high	95.6	Very high	16 Å²	16	48.9 Å²	48.9	8%	0.075	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-34.9	175.1	-166.2	-176.6	116.4	0	0	112.8	V225 F227 K234 V545 R548 R552	V225-E229 PolarHBondContact O-N 3.39Å; F227-E229 PolarHBondContact O-N 2.97Å; E229-K234 PolarHBondContact O-NZ 2.87Å; E229-V545 HydrophobicContact CB-CG1 3.96Å; E229-V545 WeakPolarHBondContact CG-O 3.23Å; E229-R548 HydrophobicContact CG-CB 4.36Å; E229-R548 WeakPolarHBondContact OE2-CD 3.47Å; E229-R548 IonicContact OE2-NH1 3.45Å; E229-R552 VanDerWaalsContact CD-NH1 3.34Å; E229-R552 IonicContact OE1-CZ 2.74Å; E229-R552 IonicContact OE1-NH1 3.72Å; E229-R552 PolarHBondContact OE1-NH1 2.81Å; E229-R552 IonicContact OE1-NH2 3.7Å; E229-R552 PolarHBondContact OE1-NH2 3.33Å; E229-R552 IonicContact OE2-CZ 2.71Å; E229-R552 IonicContact OE2-NH1 3.33Å; E229-R552 IonicContact OE2-NH2 3.39Å; E229-R552 PolarHBondContact OE2-NH2 2.69Å
230	R	91.8	Very high	95.6	Very high	139 Å²	139	44.1 Å²	44.1	53%	0.525	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-7	179.8	-65.6	175.2	177.3	80.8	-4.5	113.4	Y226 F227 S228	Y226-R230 VanDerWaalsContact CE2-NH1 3.34Å; Y226-R230 VanDerWaalsContact CZ-NH1 3.3Å; Y226-R230 PolarHBondContact O-NH1 3.44Å; Y226-R230 PolarHBondContact OH-NH2 2.9Å; F227-R230 PolarHBondContact O-N 3.14Å; S228-R230 PolarHBondContact O-N 3.34Å
231	S	93	Very high	95.6	Very high	10 Å²	10	41.3 Å²	41.3	7%	0.07	19%	0.187	C	C	.	.			trans	-57.3	147.5	179.8	179.3	0	0	0	0	112	L213 F227 S228 I233 K234	L213-S231 PolarHBondContact O-OG 3.21Å; F227-S231 PolarHBondContact O-N 2.98Å; S228-S231 VanDerWaalsContact O-CB 3.3Å; S228-S231 WeakPolarHBondContact O-CB 3.3Å; S228-S231 PolarHBondContact O-N 2.74Å; S231-I233 VanDerWaalsContact C-N 3.31Å; S231-I233 WeakPolarHBondContact CB-O 3.21Å; S231-I233 PolarHBondContact OG-N 2.92Å; S231-I233 VanDerWaalsContact OG-N 3.1Å; S231-I233 PolarHBondContact OG-O 3.25Å; S231-I233 VanDerWaalsContact OG-O 3.07Å; S231-K234 VanDerWaalsContact O-CD 3.27Å; S231-K234 WeakPolarHBondContact O-CD 3.26Å; S231-K234 WeakPolarHBondContact O-CE 3.43Å; S231-K234 PolarHBondContact O-NZ 2.85Å
232	R	91	Very high	95.4	Very high	221 Å²	221	41.2 Å²	41.2	83%	0.834	19%	0.187	S	C	*	.	S	Bend	trans	-64.8	-37.4	169.5	-176.3	177.8	175.2	174.7	1.1	111.7
233	I	92.2	Very high	95.3	Very high	30 Å²	30	38 Å²	38	15%	0.154	16%	0.159	C	C	.	.	S	Bend	trans	-92.7	112.9	175	-62.4	174.4	0	0	0	108.2	I172 V182 V185 L213 S231	I172-I233 HydrophobicContact CG2-CD1 4.21Å; V182-I233 HydrophobicContact CG2-CD1 4.31Å; V182-I233 WeakPolarHBondContact O-CG2 3.46Å; V185-I233 HydrophobicContact CB-CG2 4.3Å; V185-I233 HydrophobicContact CG2-CG2 3.56Å; L213-I233 HydrophobicContact CD1-CG2 4.49Å; L213-I233 HydrophobicContact CD2-CB 4.43Å; L213-I233 HydrophobicContact CD2-CG2 3.73Å; L213-I233 HydrophobicContact CG-CG2 4.47Å; S231-I233 VanDerWaalsContact C-N 3.31Å; S231-I233 WeakPolarHBondContact CB-O 3.21Å; S231-I233 PolarHBondContact OG-N 2.92Å; S231-I233 VanDerWaalsContact OG-N 3.1Å; S231-I233 PolarHBondContact OG-O 3.25Å; S231-I233 VanDerWaalsContact OG-O 3.07Å
234	K	92.8	Very high	95	Very high	56 Å²	56	35.5 Å²	35.5	24%	0.243	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.3	-173.2	-60.2	-52.6	-171.2	-175.1	0	111.1	D183 V185 E229 S231 I236 G546	D183-K234 PolarHBondContact O-N 2.68Å; V185-K234 PolarHBondContact N-O 3.17Å; E229-K234 PolarHBondContact O-NZ 2.87Å; S231-K234 VanDerWaalsContact O-CD 3.27Å; S231-K234 WeakPolarHBondContact O-CD 3.26Å; S231-K234 WeakPolarHBondContact O-CE 3.43Å; S231-K234 PolarHBondContact O-NZ 2.85Å; K234-I236 HydrophobicContact CB-CG2 4.12Å; K234-I236 PolarHBondContact O-N 2.7Å; K234-I236 VanDerWaalsContact O-N 3.14Å; K234-G546 WeakPolarHBondContact CD-O 3.16Å
235	C	96.3	Very high	94.7	Very high	1 Å²	1	38 Å²	38	1%	0.007	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	97.3	163.2	-169.7	0	0	0	0	108.8	L213 G237 V545 G546	L213-C235 HydrophobicContact CD1-CB 3.63Å; C235-G237 VanDerWaalsContact C-N 3.32Å; C235-V545 PolarHBondContact O-N 3.03Å; C235-G546 WeakPolarHBondContact O-CA 3.41Å; C235-G546 PolarHBondContact O-N 3.41Å
236	I	94.2	Very high	94.5	Very high	33 Å²	33	39.8 Å²	39.8	17%	0.169	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-9.3	-177.1	62.7	150.8	0	0	0	112.9	I107 K184 V185 E186 K234 G544 T547	I107-I236 HydrophobicContact CB-CD1 4.19Å; I107-I236 HydrophobicContact CD1-CD1 3.37Å; I107-I236 HydrophobicContact CG1-CD1 3.47Å; I107-I236 VanDerWaalsContact CG1-CD1 3.47Å; I107-I236 HydrophobicContact CG2-CD1 3.66Å; I107-I236 HydrophobicContact CG2-CG1 4.38Å; K184-I236 HydrophobicContact CB-CD1 4.4Å; K184-I236 HydrophobicContact CB-CG1 4.48Å; K184-I236 HydrophobicContact CB-CG2 3.81Å; K184-I236 HydrophobicContact CD-CG2 4.45Å; K184-I236 HydrophobicContact CG-CG2 3.97Å; V185-I236 VanDerWaalsContact O-CG1 3.28Å; V185-I236 WeakPolarHBondContact O-CG1 3.37Å; V185-I236 PolarHBondContact O-N 2.89Å; E186-I236 HydrophobicContact CB-CD1 4.46Å; E186-I236 HydrophobicContact CB-CG1 4.23Å; K234-I236 HydrophobicContact CB-CG2 4.12Å; K234-I236 PolarHBondContact O-N 2.7Å; K234-I236 VanDerWaalsContact O-N 3.14Å; I236-G544 WeakPolarHBondContact O-CA 3.49Å; I236-T547 HydrophobicContact CB-CG2 4.12Å; I236-T547 HydrophobicContact CG2-CG2 3.79Å
237	G	96.6	Very high	94.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175	150.9	176.1	0	0	0	0	0	112.1	E186 Y187 C235 T261	E186-G237 WeakPolarHBondContact CA-O 3.41Å; Y187-G237 PolarHBondContact N-O 2.77Å; C235-G237 VanDerWaalsContact C-N 3.32Å; G237-T261 WeakPolarHBondContact CA-OG1 3.44Å
238	I	98.4	Very high	94.4	Very high	0 Å²	0	35 Å²	35	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.5	167.1	-63.1	159.4	0	0	0	107.5	Y187 V189 I240 Y258 C260 T261 R262	Y187-I238 HydrophobicContact CD2-CG1 4.2Å; V189-I238 HydrophobicContact CG2-CG2 4.03Å; I238-I240 HydrophobicContact CG2-CG1 4.03Å; I238-Y258 WeakPolarHBondContact CD1-O 3.38Å; I238-C260 WeakPolarHBondContact O-CA 3.3Å; I238-C260 PolarHBondContact O-SG 3.14Å; I238-T261 PolarHBondContact O-N 2.96Å; I238-R262 PolarHBondContact O-N 2.91Å
239	T	98.5	Very high	94.4	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.1	170.3	-53.5	0	0	0	0	109.3	Y187 I188 V189 R262 E264	Y187-T239 PolarHBondContact O-N 2.89Å; I188-T239 HydrophobicContact CG2-CG2 4.38Å; V189-T239 PolarHBondContact N-O 3.5Å; T239-R262 VanDerWaalsContact CA-O 3.24Å; T239-R262 WeakPolarHBondContact CA-O 3.41Å; T239-R262 HydrophobicContact CG2-CB 4.17Å; T239-R262 HydrophobicContact CG2-CG 4.05Å; T239-R262 PolarHBondContact OG1-NE 3.48Å; T239-R262 PolarHBondContact OG1-NH2 2.62Å; T239-E264 HydrophobicContact CG2-CB 4.37Å; T239-E264 HydrophobicContact CG2-CG 3.63Å; T239-E264 WeakPolarHBondContact CG2-OE1 3.21Å
240	I	98	Very high	94.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120.7	176	-63.2	175.8	0	0	0	108.7	V189 F194 M195 I238 M255 Y258 C260 R262 E264	V189-I240 HydrophobicContact CB-CG1 4.36Å; V189-I240 HydrophobicContact CG2-CG1 4.42Å; F194-I240 HydrophobicContact CD1-CG2 4.11Å; M195-I240 HydrophobicContact CG-CG2 4.23Å; I238-I240 HydrophobicContact CG2-CG1 4.03Å; I240-M255 HydrophobicContact CD1-CB 4.45Å; I240-M255 HydrophobicContact CD1-CG 4.05Å; I240-M255 HydrophobicContact CG2-CE 4.41Å; I240-Y258 HydrophobicContact CD1-CD2 4.1Å; I240-C260 HydrophobicContact CD1-CB 3.94Å; I240-C260 HydrophobicContact CG1-CB 4.41Å; I240-R262 PolarHBondContact N-O 2.93Å; I240-R262 VanDerWaalsContact N-O 3.1Å; I240-E264 PolarHBondContact O-N 2.8Å
241	E	96.2	Very high	94.8	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	129.5	169	-67.3	177.6	175.5	0	0	109.7	Y147 V189 M190 G191 E264 K336	Y147-E241 PolarHBondContact OH-OE2 3.39Å; V189-E241 PolarHBondContact O-N 3.16Å; M190-E241 WeakPolarHBondContact CA-OE2 3.03Å; G191-E241 PolarHBondContact N-OE2 2.98Å; E241-E264 WeakPolarHBondContact CA-O 3.1Å; E241-E264 HydrophobicContact CB-CB 4.38Å; E241-E264 HydrophobicContact CG-CB 3.8Å; E241-E264 WeakPolarHBondContact CG-OE2 3.49Å; E241-K336 IonicContact OE1-NZ 3.37Å
242	T	95.1	Very high	95	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	174.3	-177.6	-167.2	0	0	0	0	112.2	G192 Y246 C247 M255 E264 I265 G266	G192-T242 CarbonylContact O-C 3.55Å; G192-T242 VanDerWaalsContact O-CA 3.26Å; G192-T242 WeakPolarHBondContact O-CA 3.24Å; T242-Y246 WeakPolarHBondContact OG1-CB 3.37Å; T242-C247 WeakPolarHBondContact CG2-SG 3.25Å; T242-M255 HydrophobicContact CG2-CE 4.02Å; T242-E264 PolarHBondContact N-O 3.2Å; T242-I265 HydrophobicContact CG2-CD1 3.53Å; T242-G266 PolarHBondContact O-N 2.94Å
243	R	93.5	Very high	95.3	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.015	14%	0.143	C	C	.	.			trans	-99.9	152.7	170.9	-62.4	174.6	69.7	-125.4	-2.5	110	H121 T193 D245 Y246 R280 G281	H121-R243 VanDerWaalsContact ND1-CZ 3.28Å; H121-R243 PolarHBondContact ND1-NH1 3.21Å; H121-R243 PolarHBondContact ND1-NH2 3.07Å; T193-R243 HydrophobicContact CG2-CG 4.15Å; R243-D245 VanDerWaalsContact C-N 3.25Å; R243-D245 WeakPolarHBondContact CB-OD1 3.42Å; R243-D245 IonicContact CZ-OD1 2.69Å; R243-D245 IonicContact CZ-OD2 2.95Å; R243-D245 IonicContact NE-OD1 3.89Å; R243-D245 IonicContact NH1-OD1 3.85Å; R243-D245 PolarHBondContact NH1-OD1 3.3Å; R243-D245 IonicContact NH1-OD2 2.93Å; R243-D245 PolarHBondContact NH1-OD2 2.73Å; R243-D245 IonicContact NH2-OD2 2.85Å; R243-D245 PolarHBondContact O-N 3.14Å; R243-Y246 PolarHBondContact O-N 3.07Å; R243-R280 PolarHBondContact NH2-O 2.8Å; R243-G281 PolarHBondContact NH2-O 3.04Å
244	P	92.2	Very high	95.5	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.019	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-54.7	-36.7	-180	-24.8	32.5	0	0	0	114.3	Y246 C247 I265 A286 V287 T290	P244-Y246 PolarHBondContact O-N 3.23Å; P244-Y246 VanDerWaalsContact O-N 3.15Å; P244-C247 WeakPolarHBondContact O-CB 3.35Å; P244-C247 PolarHBondContact O-N 3.49Å; P244-I265 HydrophobicContact CG-CG2 3.71Å; P244-A286 HydrophobicContact CB-CB 4.46Å; P244-V287 HydrophobicContact CB-CG2 4.33Å; P244-V287 HydrophobicContact CG-CB 4.4Å; P244-V287 HydrophobicContact CG-CG2 3.53Å; P244-T290 WeakPolarHBondContact CA-OG1 3.45Å; P244-T290 WeakPolarHBondContact CB-OG1 3.34Å; P244-T290 PolarHBondContact O-OG1 2.98Å
245	D	89.9	Confident	95.8	Very high	54 Å²	54	25.7 Å²	25.7	29%	0.289	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-64.9	-15.5	177.8	56.4	-29.3	0	0	0	113.6	R243	R243-D245 VanDerWaalsContact C-N 3.25Å; R243-D245 WeakPolarHBondContact CB-OD1 3.42Å; R243-D245 IonicContact CZ-OD1 2.69Å; R243-D245 IonicContact CZ-OD2 2.95Å; R243-D245 IonicContact NE-OD1 3.89Å; R243-D245 IonicContact NH1-OD1 3.85Å; R243-D245 PolarHBondContact NH1-OD1 3.3Å; R243-D245 IonicContact NH1-OD2 2.93Å; R243-D245 PolarHBondContact NH1-OD2 2.73Å; R243-D245 IonicContact NH2-OD2 2.85Å; R243-D245 PolarHBondContact O-N 3.14Å
246	Y	93.9	Very high	95.9	Very high	51 Å²	51	26 Å²	26	20%	0.2	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-107.4	28.8	172.8	-75.3	-91	0	0	0	113.1	P120 M195 S196 T242 R243 P244 H251	P120-Y246 HydrophobicContact CB-CE2 3.89Å; P120-Y246 WeakPolarHBondContact CB-OH 3.24Å; P120-Y246 HydrophobicContact CG-CD2 4.19Å; P120-Y246 HydrophobicContact CG-CE2 3.26Å; M195-Y246 HydrophobicContact CB-CD1 4.12Å; M195-Y246 HydrophobicContact CB-CG 4.31Å; M195-Y246 WeakPolarHBondContact O-CD1 3.39Å; S196-Y246 VanDerWaalsContact CA-CE1 3.44Å; T242-Y246 WeakPolarHBondContact OG1-CB 3.37Å; R243-Y246 PolarHBondContact O-N 3.07Å; P244-Y246 PolarHBondContact O-N 3.23Å; P244-Y246 VanDerWaalsContact O-N 3.15Å; Y246-H251 WeakPolarHBondContact CA-ND1 3.49Å; Y246-H251 AromaticContact CD1-CE1 3.83Å; Y246-H251 VanDerWaalsContact O-CB 3.23Å; Y246-H251 WeakPolarHBondContact O-CB 3.42Å; Y246-H251 PolarHBondContact O-ND1 3.05Å
247	C	95.2	Very high	96	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.027	15%	0.147	C	C	.	.			trans	-121	23.8	174	-70.6	0	0	0	0	113.6	T242 P244 L252 I265 T290	T242-C247 WeakPolarHBondContact CG2-SG 3.25Å; P244-C247 WeakPolarHBondContact O-CB 3.35Å; P244-C247 PolarHBondContact O-N 3.49Å; C247-L252 HydrophobicContact CB-CD2 4.26Å; C247-L252 WeakPolarHBondContact O-CD1 3.44Å; C247-L252 WeakPolarHBondContact O-CG 3.26Å; C247-I265 VanDerWaalsContact SG-CD1 3.59Å; C247-T290 HydrophobicContact CB-CG2 3.32Å
248	L	94.5	Very high	96.1	Very high	101 Å²	101	28.2 Å²	28.2	53%	0.529	15%	0.149	S	C	.	.	S	Bend	trans	-58.6	157.9	169.8	-57.4	179.1	0	0	0	111.7	K250 H251 L252	L248-K250 PolarHBondContact O-N 2.93Å; L248-H251 WeakPolarHBondContact O-CA 3.3Å; L248-H251 WeakPolarHBondContact O-CB 3.44Å; L248-H251 PolarHBondContact O-N 2.92Å; L248-L252 PolarHBondContact O-N 2.84Å
249	P	95.6	Very high	96	Very high	62 Å²	62	28.5 Å²	28.5	40%	0.403	15%	0.152	S	C	.	.	H	α-helix	trans	-49	-36.3	-179.4	-33.3	38	0	0	0	115.6	S253 F482	P249-S253 WeakPolarHBondContact O-CB 3.49Å; P249-S253 PolarHBondContact O-N 3.39Å; P249-S253 PolarHBondContact O-OG 2.91Å; P249-F482 HydrophobicContact CB-CD1 4.28Å; P249-F482 HydrophobicContact CB-CD2 3.69Å; P249-F482 HydrophobicContact CB-CE1 4.41Å; P249-F482 HydrophobicContact CB-CE2 3.83Å; P249-F482 HydrophobicContact CB-CG 3.93Å; P249-F482 HydrophobicContact CB-CZ 4.21Å; P249-F482 HydrophobicContact CG-CD1 4.42Å; P249-F482 HydrophobicContact CG-CG 4.34Å; P249-F482 WeakPolarHBondContact O-CE2 3.45Å
250	K	95.8	Very high	96	Very high	126 Å²	126	28.6 Å²	28.6	55%	0.548	15%	0.153	S	C	.	.	H	α-helix	trans	-59.6	-54.4	172.4	-180	-173	170.7	-170.9	0	111.1	L248 L252 S253 E254	L248-K250 PolarHBondContact O-N 2.93Å; K250-L252 PolarHBondContact O-N 2.85Å; K250-S253 WeakPolarHBondContact O-CB 3.33Å; K250-S253 PolarHBondContact O-N 2.81Å; K250-S253 VanDerWaalsContact O-N 3.17Å; K250-E254 WeakPolarHBondContact CE-OE1 3.2Å; K250-E254 IonicContact NZ-OE1 3.44Å; K250-E254 WeakPolarHBondContact O-CG 3.5Å; K250-E254 PolarHBondContact O-N 2.9Å
251	H	97.3	Very high	96	Very high	27 Å²	27	28.9 Å²	28.9	13%	0.125	16%	0.155	C	C	.	.	H	α-helix	trans	-62.8	-41.9	-178.2	-56.6	137.6	0	0	0	112	M195 Y246 L248 S253 E254 M255	M195-H251 HydrophobicContact CE-CB 3.87Å; Y246-H251 WeakPolarHBondContact CA-ND1 3.49Å; Y246-H251 AromaticContact CD1-CE1 3.83Å; Y246-H251 VanDerWaalsContact O-CB 3.23Å; Y246-H251 WeakPolarHBondContact O-CB 3.42Å; Y246-H251 PolarHBondContact O-ND1 3.05Å; L248-H251 WeakPolarHBondContact O-CA 3.3Å; L248-H251 WeakPolarHBondContact O-CB 3.44Å; L248-H251 PolarHBondContact O-N 2.92Å; H251-S253 VanDerWaalsContact C-N 3.3Å; H251-S253 PolarHBondContact O-N 2.91Å; H251-E254 IonicContact CD2-OE2 3.43Å; H251-E254 PolarHBondContact O-N 2.8Å; H251-M255 VanDerWaalsContact O-CG 3.29Å; H251-M255 WeakPolarHBondContact O-CG 3.29Å; H251-M255 PolarHBondContact O-N 2.75Å
252	L	97.8	Very high	96.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.2	-39.8	175.6	-66.6	177.4	0	0	0	111.6	C247 L248 K250 M255 L256 L263 A294 F299 F482	C247-L252 HydrophobicContact CB-CD2 4.26Å; C247-L252 WeakPolarHBondContact O-CD1 3.44Å; C247-L252 WeakPolarHBondContact O-CG 3.26Å; L248-L252 PolarHBondContact O-N 2.84Å; K250-L252 PolarHBondContact O-N 2.85Å; L252-M255 HydrophobicContact CD2-SD 4.22Å; L252-M255 PolarHBondContact O-N 2.91Å; L252-L256 WeakPolarHBondContact O-CG 3.38Å; L252-L256 PolarHBondContact O-N 3.37Å; L252-L263 HydrophobicContact CD2-CD1 3.48Å; L252-L263 VanDerWaalsContact CD2-CD1 3.48Å; L252-A294 HydrophobicContact CD2-CB 4.37Å; L252-F299 HydrophobicContact CB-CE2 4.23Å; L252-F299 HydrophobicContact CD2-CD2 4.3Å; L252-F299 HydrophobicContact CD2-CE2 4.01Å; L252-F482 HydrophobicContact CB-CE1 4.38Å; L252-F482 HydrophobicContact CB-CZ 3.75Å; L252-F482 HydrophobicContact CD1-CE1 3.8Å; L252-F482 HydrophobicContact CD1-CZ 4.03Å
253	S	97.7	Very high	96.3	Very high	31 Å²	31	28.5 Å²	28.5	22%	0.217	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-39.5	175.6	-62.8	0	0	0	0	112.8	P249 K250 H251 L256 S257 F482 R483	P249-S253 WeakPolarHBondContact O-CB 3.49Å; P249-S253 PolarHBondContact O-N 3.39Å; P249-S253 PolarHBondContact O-OG 2.91Å; K250-S253 WeakPolarHBondContact O-CB 3.33Å; K250-S253 PolarHBondContact O-N 2.81Å; K250-S253 VanDerWaalsContact O-N 3.17Å; H251-S253 VanDerWaalsContact C-N 3.3Å; H251-S253 PolarHBondContact O-N 2.91Å; S253-L256 PolarHBondContact O-N 2.92Å; S253-S257 PolarHBondContact O-N 3.08Å; S253-S257 VanDerWaalsContact O-N 3.13Å; S253-F482 WeakPolarHBondContact OG-CE2 3.49Å; S253-R483 VanDerWaalsContact CB-NH1 3.28Å; S253-R483 PolarHBondContact OG-NH1 3.19Å
254	E	97.2	Very high	96.5	Very high	30 Å²	30	28.4 Å²	28.4	14%	0.14	15%	0.152	C	C	.	.	H	α-helix	trans	-66.2	-42.8	174.6	-67.7	169.1	169.1	0	0	111.4	M195 R202 K250 H251 L256 S257 Y258	M195-E254 HydrophobicContact CE-CB 4.33Å; R202-E254 IonicContact CZ-OE2 2.75Å; R202-E254 VanDerWaalsContact CZ-OE2 3.27Å; R202-E254 IonicContact NH1-OE2 3.03Å; R202-E254 PolarHBondContact NH1-OE2 2.71Å; R202-E254 IonicContact NH2-OE1 2.67Å; R202-E254 PolarHBondContact NH2-OE1 2.63Å; R202-E254 IonicContact NH2-OE2 3.48Å; R202-E254 PolarHBondContact NH2-OE2 2.69Å; K250-E254 WeakPolarHBondContact CE-OE1 3.2Å; K250-E254 IonicContact NZ-OE1 3.44Å; K250-E254 WeakPolarHBondContact O-CG 3.5Å; K250-E254 PolarHBondContact O-N 2.9Å; H251-E254 IonicContact CD2-OE2 3.43Å; H251-E254 PolarHBondContact O-N 2.8Å; E254-L256 VanDerWaalsContact C-N 3.28Å; E254-L256 PolarHBondContact O-N 3.42Å; E254-S257 PolarHBondContact O-N 3.28Å; E254-S257 VanDerWaalsContact O-N 3.1Å; E254-S257 PolarHBondContact O-OG 3.41Å; E254-Y258 HydrophobicContact CB-CE2 4.48Å; E254-Y258 VanDerWaalsContact O-CD1 3.29Å; E254-Y258 WeakPolarHBondContact O-CD1 3.29Å; E254-Y258 PolarHBondContact O-N 3.03Å
255	M	98.1	Very high	96.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.5	-38.9	175.4	-67.1	169.7	-178	0	0	111.8	M195 I240 T242 H251 L252 S257 Y258 G259 C260 L263 F299	M195-M255 HydrophobicContact CB-CE 4.5Å; M195-M255 HydrophobicContact CE-CE 3.77Å; M195-M255 HydrophobicContact CE-CG 3.72Å; M195-M255 HydrophobicContact CG-CE 3.36Å; M195-M255 HydrophobicContact SD-CE 3.82Å; M195-M255 HydrophobicContact SD-CG 3.96Å; I240-M255 HydrophobicContact CD1-CB 4.45Å; I240-M255 HydrophobicContact CD1-CG 4.05Å; I240-M255 HydrophobicContact CG2-CE 4.41Å; T242-M255 HydrophobicContact CG2-CE 4.02Å; H251-M255 VanDerWaalsContact O-CG 3.29Å; H251-M255 WeakPolarHBondContact O-CG 3.29Å; H251-M255 PolarHBondContact O-N 2.75Å; L252-M255 HydrophobicContact CD2-SD 4.22Å; L252-M255 PolarHBondContact O-N 2.91Å; M255-S257 VanDerWaalsContact C-N 3.35Å; M255-Y258 WeakPolarHBondContact O-CB 3.39Å; M255-Y258 PolarHBondContact O-N 3.13Å; M255-G259 PolarHBondContact O-N 2.92Å; M255-C260 HydrophobicContact CB-CB 3.92Å; M255-C260 WeakPolarHBondContact O-CB 3.27Å; M255-C260 PolarHBondContact O-N 2.99Å; M255-L263 HydrophobicContact CE-CD2 4.29Å; M255-L263 HydrophobicContact SD-CD1 4.2Å; M255-L263 HydrophobicContact SD-CD2 3.29Å; M255-L263 WeakPolarHBondContact SD-CD2 3.46Å; M255-L263 HydrophobicContact SD-CG 4.4Å; M255-F299 HydrophobicContact CB-CE1 4.22Å; M255-F299 HydrophobicContact CB-CZ 3.85Å
256	L	98	Very high	97	Very high	7 Å²	7	25.9 Å²	25.9	4%	0.037	14%	0.14	C	C	.	.	H	α-helix	trans	-61.5	-42.3	174	-72.4	170.9	0	0	0	111.5	L252 S253 E254 Y258 G259 F299 R483 I542 P561 Y562	L252-L256 WeakPolarHBondContact O-CG 3.38Å; L252-L256 PolarHBondContact O-N 3.37Å; S253-L256 PolarHBondContact O-N 2.92Å; E254-L256 VanDerWaalsContact C-N 3.28Å; E254-L256 PolarHBondContact O-N 3.42Å; L256-Y258 VanDerWaalsContact C-N 3.26Å; L256-Y258 PolarHBondContact O-N 2.89Å; L256-G259 PolarHBondContact O-N 3.45Å; L256-F299 HydrophobicContact CB-CZ 4.49Å; L256-F299 HydrophobicContact CD1-CE2 4.45Å; L256-F299 HydrophobicContact CD2-CE1 4.01Å; L256-F299 HydrophobicContact CD2-CE2 3.84Å; L256-F299 HydrophobicContact CD2-CZ 3.49Å; L256-F299 VanDerWaalsContact CD2-CZ 3.49Å; L256-F299 HydrophobicContact CG-CE1 4.45Å; L256-F299 HydrophobicContact CG-CE2 3.85Å; L256-F299 HydrophobicContact CG-CZ 3.53Å; L256-R483 HydrophobicContact CD1-CG 4.24Å; L256-I542 HydrophobicContact CD2-CD1 3.69Å; L256-I542 HydrophobicContact CD2-CG1 4.36Å; L256-P561 HydrophobicContact CB-CB 3.88Å; L256-P561 HydrophobicContact CB-CG 4.04Å; L256-P561 HydrophobicContact CD1-CG 4.05Å; L256-P561 HydrophobicContact CG-CG 4.45Å; L256-Y562 VanDerWaalsContact CD1-OH 3.3Å; L256-Y562 WeakPolarHBondContact CD1-OH 3.17Å; L256-Y562 HydrophobicContact CD2-CE1 4.3Å
257	S	96.9	Very high	97.1	Very high	68 Å²	68	23.7 Å²	23.7	48%	0.476	13%	0.131	S	C	.	.	H	α-helix	trans	-67.1	-28.3	177.9	74.8	0	0	0	0	112.6	S253 E254 M255 G259	S253-S257 PolarHBondContact O-N 3.08Å; S253-S257 VanDerWaalsContact O-N 3.13Å; E254-S257 PolarHBondContact O-N 3.28Å; E254-S257 VanDerWaalsContact O-N 3.1Å; E254-S257 PolarHBondContact O-OG 3.41Å; M255-S257 VanDerWaalsContact C-N 3.35Å; S257-G259 PolarHBondContact O-N 2.95Å
258	Y	97.7	Very high	97.2	Very high	12 Å²	12	24 Å²	24	5%	0.047	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.4	172	-59.7	-14.6	0	0	0	113.8	F194 M195 R202 I206 H210 V221 I238 I240 E254 M255 L256 C260	F194-Y258 HydrophobicContact CE1-CE2 4.25Å; M195-Y258 HydrophobicContact SD-CE2 4.24Å; R202-Y258 HydrophobicContact CB-CE2 4.47Å; R202-Y258 WeakPolarHBondContact CB-OH 3.36Å; I206-Y258 HydrophobicContact CB-CD1 4.47Å; I206-Y258 HydrophobicContact CB-CG 4.37Å; I206-Y258 HydrophobicContact CD1-CD2 4.3Å; I206-Y258 HydrophobicContact CD1-CG 4.48Å; I206-Y258 HydrophobicContact CG1-CD1 4.3Å; I206-Y258 HydrophobicContact CG1-CD2 3.83Å; I206-Y258 HydrophobicContact CG1-CE2 4.27Å; I206-Y258 HydrophobicContact CG1-CG 3.85Å; I206-Y258 HydrophobicContact CG2-CD1 4.22Å; I206-Y258 HydrophobicContact CG2-CG 4.05Å; H210-Y258 PolarHBondContact NE2-O 3.35Å; V221-Y258 HydrophobicContact CG1-CD1 4.05Å; V221-Y258 HydrophobicContact CG2-CD1 4.43Å; I238-Y258 WeakPolarHBondContact CD1-O 3.38Å; I240-Y258 HydrophobicContact CD1-CD2 4.1Å; E254-Y258 HydrophobicContact CB-CE2 4.48Å; E254-Y258 VanDerWaalsContact O-CD1 3.29Å; E254-Y258 WeakPolarHBondContact O-CD1 3.29Å; E254-Y258 PolarHBondContact O-N 3.03Å; M255-Y258 WeakPolarHBondContact O-CB 3.39Å; M255-Y258 PolarHBondContact O-N 3.13Å; L256-Y258 VanDerWaalsContact C-N 3.26Å; L256-Y258 PolarHBondContact O-N 2.89Å; Y258-C260 VanDerWaalsContact C-N 3.35Å
259	G	96.9	Very high	97.3	Very high	6 Å²	6	19.4 Å²	19.4	6%	0.062	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	20.8	-171.4	0	0	0	0	0	113.6	M255 L256 S257	M255-G259 PolarHBondContact O-N 2.92Å; L256-G259 PolarHBondContact O-N 3.45Å; S257-G259 PolarHBondContact O-N 2.95Å
260	C	98.3	Very high	97.4	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.014	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	138.9	172	-173.2	0	0	0	0	110.7	I238 I240 M255 Y258 R262 F299	I238-C260 WeakPolarHBondContact O-CA 3.3Å; I238-C260 PolarHBondContact O-SG 3.14Å; I240-C260 HydrophobicContact CD1-CB 3.94Å; I240-C260 HydrophobicContact CG1-CB 4.41Å; M255-C260 HydrophobicContact CB-CB 3.92Å; M255-C260 WeakPolarHBondContact O-CB 3.27Å; M255-C260 PolarHBondContact O-N 2.99Å; Y258-C260 VanDerWaalsContact C-N 3.35Å; C260-R262 PolarHBondContact SG-O 2.91Å; C260-F299 HydrophobicContact CB-CE1 3.99Å; C260-F299 WeakPolarHBondContact O-CE1 3.44Å
261	T	98.3	Very high	97.5	Very high	7 Å²	7	12.8 Å²	12.8	4%	0.043	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	-12.1	179.9	58.7	0	0	0	0	112.6	G237 I238 K300 I542	G237-T261 WeakPolarHBondContact CA-OG1 3.44Å; I238-T261 PolarHBondContact O-N 2.96Å; T261-K300 PolarHBondContact O-N 2.95Å; T261-I542 HydrophobicContact CG2-CG1 4.31Å
262	R	98.7	Very high	97.5	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.015	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	132.3	-178.3	-173.7	165.3	67.4	-145.9	-7.4	110.7	E186 I238 T239 I240 C260 K300 V302 Y383	E186-R262 IonicContact OE1-CZ 2.71Å; E186-R262 IonicContact OE1-NE 3.11Å; E186-R262 IonicContact OE1-NH1 2.84Å; E186-R262 PolarHBondContact OE1-NH1 3.26Å; E186-R262 IonicContact OE1-NH2 3.87Å; E186-R262 PolarHBondContact OE1-NH2 2.96Å; E186-R262 IonicContact OE2-CZ 2.95Å; E186-R262 IonicContact OE2-NH1 2.86Å; E186-R262 PolarHBondContact OE2-NH1 3.32Å; E186-R262 IonicContact OE2-NH2 3.22Å; E186-R262 PolarHBondContact OE2-NH2 3.49Å; I238-R262 PolarHBondContact O-N 2.91Å; T239-R262 VanDerWaalsContact CA-O 3.24Å; T239-R262 WeakPolarHBondContact CA-O 3.41Å; T239-R262 HydrophobicContact CG2-CB 4.17Å; T239-R262 HydrophobicContact CG2-CG 4.05Å; T239-R262 PolarHBondContact OG1-NE 3.48Å; T239-R262 PolarHBondContact OG1-NH2 2.62Å; I240-R262 PolarHBondContact N-O 2.93Å; I240-R262 VanDerWaalsContact N-O 3.1Å; C260-R262 PolarHBondContact SG-O 2.91Å; R262-K300 CarbonylContact C-O 3.59Å; R262-K300 WeakPolarHBondContact CA-O 3.31Å; R262-K300 HydrophobicContact CB-CB 4.07Å; R262-K300 HydrophobicContact CG-CB 3.85Å; R262-V302 HydrophobicContact CG-CG2 4.09Å; R262-Y383 PolarHBondContact NH1-OH 2.9Å
263	L	97.9	Very high	97.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	140.9	172.1	-53.6	-176.1	0	0	0	109.6	L252 M255 I265 A294 F299 K300 V302	L252-L263 HydrophobicContact CD2-CD1 3.48Å; L252-L263 VanDerWaalsContact CD2-CD1 3.48Å; M255-L263 HydrophobicContact CE-CD2 4.29Å; M255-L263 HydrophobicContact SD-CD1 4.2Å; M255-L263 HydrophobicContact SD-CD2 3.29Å; M255-L263 WeakPolarHBondContact SD-CD2 3.46Å; M255-L263 HydrophobicContact SD-CG 4.4Å; L263-I265 HydrophobicContact CB-CD1 4.2Å; L263-A294 HydrophobicContact CD1-CB 3.75Å; L263-F299 HydrophobicContact CD1-CB 4.2Å; L263-F299 HydrophobicContact CD1-CD1 4.34Å; L263-F299 HydrophobicContact CD1-CD2 4.03Å; L263-F299 HydrophobicContact CD1-CE2 4.47Å; L263-F299 HydrophobicContact CD1-CG 3.94Å; L263-F299 HydrophobicContact CD2-CD1 3.93Å; L263-F299 HydrophobicContact CD2-CE1 4.02Å; L263-F299 HydrophobicContact CD2-CG 4.38Å; L263-F299 HydrophobicContact CG-CB 4Å; L263-F299 HydrophobicContact CG-CD1 3.83Å; L263-F299 HydrophobicContact CG-CD2 4.41Å; L263-F299 HydrophobicContact CG-CE1 4.37Å; L263-F299 HydrophobicContact CG-CG 3.84Å; L263-K300 PolarHBondContact N-O 3.31Å; L263-V302 PolarHBondContact O-N 2.86Å
264	E	98	Very high	97.4	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.8	170.9	-80.6	-171.3	-163.1	0	0	109.4	T239 I240 E241 T242 V302 H304 K336	T239-E264 HydrophobicContact CG2-CB 4.37Å; T239-E264 HydrophobicContact CG2-CG 3.63Å; T239-E264 WeakPolarHBondContact CG2-OE1 3.21Å; I240-E264 PolarHBondContact O-N 2.8Å; E241-E264 WeakPolarHBondContact CA-O 3.1Å; E241-E264 HydrophobicContact CB-CB 4.38Å; E241-E264 HydrophobicContact CG-CB 3.8Å; E241-E264 WeakPolarHBondContact CG-OE2 3.49Å; T242-E264 PolarHBondContact N-O 3.2Å; E264-V302 WeakPolarHBondContact CA-O 3.48Å; E264-V302 HydrophobicContact CG-CB 3.86Å; E264-V302 HydrophobicContact CG-CG1 4Å; E264-H304 IonicContact OE2-CD2 2.69Å; E264-H304 IonicContact OE2-CE1 4Å; E264-H304 PolarHBondContact OE2-CE1 3.11Å; E264-H304 IonicContact OE2-NE2 3.14Å; E264-H304 PolarHBondContact OE2-NE2 3.45Å; E264-K336 VanDerWaalsContact CD-CE 3.4Å; E264-K336 WeakPolarHBondContact OE1-CE 3.49Å; E264-K336 IonicContact OE1-NZ 3.78Å; E264-K336 PolarHBondContact OE1-NZ 2.88Å; E264-K336 WeakPolarHBondContact OE2-CE 3.39Å; E264-K336 IonicContact OE2-NZ 3.52Å; E264-K336 PolarHBondContact OE2-NZ 3.4Å
265	I	97.5	Very high	97.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.7	-173.5	-52.2	-57.2	0	0	0	109.5	T242 P244 C247 L263 V267 T290 F291 V302 H304	T242-I265 HydrophobicContact CG2-CD1 3.53Å; P244-I265 HydrophobicContact CG-CG2 3.71Å; C247-I265 VanDerWaalsContact SG-CD1 3.59Å; L263-I265 HydrophobicContact CB-CD1 4.2Å; I265-V267 VanDerWaalsContact C-N 3.33Å; I265-V267 HydrophobicContact CB-CG2 4.48Å; I265-V267 HydrophobicContact CG2-CG2 4.18Å; I265-V267 PolarHBondContact O-N 2.94Å; I265-T290 HydrophobicContact CD1-CG2 4.02Å; I265-T290 HydrophobicContact CG1-CG2 4.24Å; I265-F291 HydrophobicContact CB-CE1 3.83Å; I265-F291 HydrophobicContact CG1-CD1 4.4Å; I265-F291 HydrophobicContact CG1-CE1 3.89Å; I265-F291 HydrophobicContact CG2-CE1 4.03Å; I265-V302 PolarHBondContact N-O 3.46Å; I265-H304 PolarHBondContact O-N 3.07Å
266	G	95.8	Very high	97.2	Very high	5 Å²	5	23.1 Å²	23.1	5%	0.052	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	76.6	176.4	0	0	0	0	0	113.4	T242 R280 H282	T242-G266 PolarHBondContact O-N 2.94Å; G266-R280 PolarHBondContact O-NE 2.95Å; G266-R280 PolarHBondContact O-NH2 3.01Å; G266-H282 PolarHBondContact O-NE2 2.97Å
267	V	96.3	Very high	97	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.024	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-50.5	179	-176.3	0	0	0	0	111.4	I265 S269 V287 F291 A303 H304 M305	I265-V267 VanDerWaalsContact C-N 3.33Å; I265-V267 HydrophobicContact CB-CG2 4.48Å; I265-V267 HydrophobicContact CG2-CG2 4.18Å; I265-V267 PolarHBondContact O-N 2.94Å; V267-S269 WeakPolarHBondContact CG1-O 3.48Å; V267-S269 PolarHBondContact O-N 2.96Å; V267-V287 HydrophobicContact CB-CG1 4.27Å; V267-V287 HydrophobicContact CG1-CG1 4Å; V267-V287 HydrophobicContact CG1-CG2 4.34Å; V267-V287 HydrophobicContact CG2-CG1 3.46Å; V267-V287 VanDerWaalsContact CG2-CG1 3.46Å; V267-V287 HydrophobicContact CG2-CG2 4.42Å; V267-F291 HydrophobicContact CG2-CE1 4.11Å; V267-F291 HydrophobicContact CG2-CZ 3.64Å; V267-A303 HydrophobicContact CG2-CB 3.9Å; V267-H304 PolarHBondContact N-O 3.17Å; V267-M305 HydrophobicContact CB-SD 3.7Å; V267-M305 HydrophobicContact CG1-SD 3.66Å
268	Q	96.2	Very high	97	Very high	11 Å²	11	22.7 Å²	22.7	5%	0.051	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.6	-50.2	-178.9	-36.6	-51.7	-14.2	0	0	114.6	Y131 H304 M306 L309	Y131-Q268 WeakPolarHBondContact OH-CG 3.45Å; Q268-H304 WeakPolarHBondContact CA-O 3.11Å; Q268-H304 PolarHBondContact N-O 2.94Å; Q268-H304 PolarHBondContact OE1-O 3.28Å; Q268-M306 HydrophobicContact CB-CB 4.35Å; Q268-M306 HydrophobicContact CB-CG 4.23Å; Q268-M306 HydrophobicContact CB-SD 4.18Å; Q268-M306 HydrophobicContact CG-SD 4.14Å; Q268-M306 PolarHBondContact O-N 3.08Å; Q268-M306 VanDerWaalsContact OE1-CG 3.23Å; Q268-M306 PolarHBondContact OE1-SD 3.09Å; Q268-M306 VanDerWaalsContact OE1-SD 3.39Å; Q268-L309 HydrophobicContact CB-CD1 4.38Å
269	S	97.1	Very high	96.9	Very high	5 Å²	5	24 Å²	24	4%	0.035	12%	0.115	C	C	.	.			trans	-141	150.5	177.8	-173.8	0	0	0	0	111.2	V267 Y271 Q320	V267-S269 WeakPolarHBondContact CG1-O 3.48Å; V267-S269 PolarHBondContact O-N 2.96Å; S269-Y271 VanDerWaalsContact C-N 3.29Å; S269-Y271 PolarHBondContact OG-N 2.73Å; S269-Q320 PolarHBondContact OG-OE1 3.37Å
270	V	97.4	Very high	96.7	Very high	8 Å²	8	25 Å²	25	5%	0.048	12%	0.117	C	C	.	.	S	Bend	trans	-85.7	-3.1	171.6	-56.9	0	0	0	0	112.5	V284 M305 Q320 E323 F324 F330	V270-V284 WeakPolarHBondContact O-CG1 3.47Å; V270-V284 WeakPolarHBondContact O-CG2 3.15Å; V270-M305 HydrophobicContact CG1-CE 3.82Å; V270-Q320 HydrophobicContact CG1-CG 4.21Å; V270-Q320 HydrophobicContact CG2-CB 3.94Å; V270-Q320 HydrophobicContact CG2-CG 3.79Å; V270-E323 WeakPolarHBondContact CG2-OE2 3.18Å; V270-F324 HydrophobicContact CG1-CB 4.24Å; V270-F324 HydrophobicContact CG1-CD2 4.42Å; V270-F330 HydrophobicContact CB-CE2 4.14Å; V270-F330 HydrophobicContact CB-CZ 3.94Å; V270-F330 HydrophobicContact CG1-CD2 4.39Å; V270-F330 HydrophobicContact CG1-CE1 4.24Å; V270-F330 HydrophobicContact CG1-CE2 3.91Å; V270-F330 HydrophobicContact CG1-CZ 3.83Å
271	Y	98	Very high	96.5	Very high	41 Å²	41	26.3 Å²	26.3	16%	0.161	13%	0.132	C	C	.	.			trans	-100.7	130.7	-176.2	-54.4	-65.2	0	0	0	112.7	S269 D273 V274 A275 V312 R316 Q320	S269-Y271 VanDerWaalsContact C-N 3.29Å; S269-Y271 PolarHBondContact OG-N 2.73Å; Y271-D273 WeakPolarHBondContact CB-OD1 3.05Å; Y271-D273 PolarHBondContact O-N 2.92Å; Y271-V274 HydrophobicContact CD2-CG2 4.26Å; Y271-V274 PolarHBondContact O-N 2.65Å; Y271-A275 PolarHBondContact O-N 2.88Å; Y271-A275 VanDerWaalsContact O-N 3.15Å; Y271-V312 HydrophobicContact CE2-CG1 4.48Å; Y271-R316 HydrophobicContact CE2-CB 4.09Å; Y271-R316 VanDerWaalsContact CG-NH2 3.28Å; Y271-R316 PolarHBondContact OH-O 2.81Å; Y271-Q320 HydrophobicContact CE2-CB 3.81Å; Y271-Q320 PolarHBondContact OH-N 3.29Å
272	E	97.1	Very high	96.3	Very high	80 Å²	80	27.1 Å²	27.1	37%	0.374	14%	0.135	S	C	.	.	H	α-helix	trans	-68.1	-32.6	-179.6	-68.2	-72.7	-170.7	0	0	112.8	A275 R276 T283 V284 K285	E272-A275 PolarHBondContact O-N 2.99Å; E272-R276 WeakPolarHBondContact O-CB 3.43Å; E272-R276 PolarHBondContact O-N 2.86Å; E272-R276 VanDerWaalsContact O-N 3.07Å; E272-T283 WeakPolarHBondContact OE2-CA 3.28Å; E272-T283 WeakPolarHBondContact OE2-CB 3.4Å; E272-V284 HydrophobicContact CG-CB 4.12Å; E272-V284 HydrophobicContact CG-CG2 4.05Å; E272-V284 WeakPolarHBondContact OE1-CA 3.32Å; E272-V284 VanDerWaalsContact OE1-CB 3.3Å; E272-V284 WeakPolarHBondContact OE1-CB 3.32Å; E272-V284 PolarHBondContact OE1-N 2.79Å; E272-V284 PolarHBondContact OE2-N 2.95Å; E272-K285 PolarHBondContact OE1-N 2.75Å
273	D	97.5	Very high	96.2	Very high	47 Å²	47	30.2 Å²	30.2	25%	0.251	15%	0.154	S	C	.	.	H	α-helix	trans	-61.6	-45.6	174.5	62.6	-31.6	0	0	0	110.9	Y271 R276 D277 R316	Y271-D273 WeakPolarHBondContact CB-OD1 3.05Å; Y271-D273 PolarHBondContact O-N 2.92Å; D273-R276 PolarHBondContact O-N 2.8Å; D273-D277 WeakPolarHBondContact O-CB 3.41Å; D273-D277 PolarHBondContact O-N 2.75Å; D273-R316 IonicContact OD1-NH2 2.75Å; D273-R316 PolarHBondContact OD1-NH2 3.22Å; D273-R316 IonicContact OD2-CZ 2.86Å; D273-R316 IonicContact OD2-NH1 3.15Å; D273-R316 PolarHBondContact OD2-NH1 2.81Å; D273-R316 IonicContact OD2-NH2 3.82Å; D273-R316 PolarHBondContact OD2-NH2 2.93Å
274	V	96.9	Very high	96.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-64.9	-42.5	178.5	-177.7	0	0	0	0	111.3	Y271 R276 D277 T278 L309 V312	Y271-V274 HydrophobicContact CD2-CG2 4.26Å; Y271-V274 PolarHBondContact O-N 2.65Å; V274-R276 VanDerWaalsContact C-N 3.3Å; V274-R276 PolarHBondContact O-N 3.15Å; V274-D277 PolarHBondContact O-N 3.22Å; V274-T278 HydrophobicContact CG1-CG2 4.08Å; V274-T278 WeakPolarHBondContact O-CB 3.14Å; V274-T278 WeakPolarHBondContact O-CG2 3.49Å; V274-T278 PolarHBondContact O-N 3.45Å; V274-T278 PolarHBondContact O-OG1 2.9Å; V274-L309 HydrophobicContact CG1-CB 4.21Å; V274-L309 HydrophobicContact CG1-CD1 3.73Å; V274-V312 HydrophobicContact CB-CG2 4.37Å; V274-V312 HydrophobicContact CG1-CG2 4.14Å; V274-V312 HydrophobicContact CG2-CG2 3.27Å
275	A	95.8	Very high	96.1	Very high	10 Å²	10	37.3 Å²	37.3	8%	0.083	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-39.7	177.4	0	0	0	0	0	112.1	Y271 E272 R280	Y271-A275 PolarHBondContact O-N 2.88Å; Y271-A275 VanDerWaalsContact O-N 3.15Å; E272-A275 PolarHBondContact O-N 2.99Å; A275-R280 HydrophobicContact CB-CB 4.35Å; A275-R280 WeakPolarHBondContact O-CB 3.36Å; A275-R280 PolarHBondContact O-N 3.37Å
276	R	95.2	Very high	96	Very high	167 Å²	167	38.5 Å²	38.5	63%	0.63	20%	0.195	S	C	*	.	H	α-helix	trans	-68.2	-54.6	174.9	179.9	-169.8	63.1	-129.8	-7.8	111.6	E272 D273 V274 T278 N279	E272-R276 WeakPolarHBondContact O-CB 3.43Å; E272-R276 PolarHBondContact O-N 2.86Å; E272-R276 VanDerWaalsContact O-N 3.07Å; D273-R276 PolarHBondContact O-N 2.8Å; V274-R276 VanDerWaalsContact C-N 3.3Å; V274-R276 PolarHBondContact O-N 3.15Å; R276-T278 VanDerWaalsContact C-N 3.29Å; R276-T278 PolarHBondContact O-N 2.88Å; R276-N279 PolarHBondContact O-N 2.89Å
277	D	94.3	Very high	96.1	Very high	62 Å²	62	38.3 Å²	38.3	33%	0.332	19%	0.193	S	C	.	.	H	α-helix	trans	-69.1	-28.1	-170	-62.7	-4	0	0	0	112.2	M130 D273 V274 N279	M130-D277 WeakPolarHBondContact CE-O 3.49Å; D273-D277 WeakPolarHBondContact O-CB 3.41Å; D273-D277 PolarHBondContact O-N 2.75Å; V274-D277 PolarHBondContact O-N 3.22Å; D277-N279 VanDerWaalsContact C-N 3.28Å; D277-N279 PolarHBondContact O-N 2.89Å
278	T	95.5	Very high	96.1	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.025	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	3.8	174.8	61.9	0	0	0	0	114.1	M130 Y131 V274 R276 R280	M130-T278 PolarHBondContact N-O 2.77Å; Y131-T278 HydrophobicContact CD1-CG2 4.35Å; Y131-T278 HydrophobicContact CE1-CG2 4.27Å; V274-T278 HydrophobicContact CG1-CG2 4.08Å; V274-T278 WeakPolarHBondContact O-CB 3.14Å; V274-T278 WeakPolarHBondContact O-CG2 3.49Å; V274-T278 PolarHBondContact O-N 3.45Å; V274-T278 PolarHBondContact O-OG1 2.9Å; R276-T278 VanDerWaalsContact C-N 3.29Å; R276-T278 PolarHBondContact O-N 2.88Å; T278-R280 PolarHBondContact O-N 2.99Å
279	N	95.3	Very high	96.1	Very high	40 Å²	40	43.6 Å²	43.6	21%	0.214	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	48.9	-178.2	-169.1	32.4	0	0	0	112.6	T125 N127 V128 C129 R276 D277 G281	T125-N279 WeakPolarHBondContact CB-OD1 3.45Å; T125-N279 VanDerWaalsContact CG2-OD1 3.28Å; T125-N279 WeakPolarHBondContact CG2-OD1 3.46Å; N127-N279 PolarHBondContact O-ND2 2.75Å; V128-N279 PolarHBondContact O-ND2 2.85Å; V128-N279 VanDerWaalsContact O-ND2 3.1Å; C129-N279 WeakPolarHBondContact CA-O 3.21Å; C129-N279 PolarHBondContact SG-O 2.57Å; R276-N279 PolarHBondContact O-N 2.89Å; D277-N279 VanDerWaalsContact C-N 3.28Å; D277-N279 PolarHBondContact O-N 2.89Å; N279-G281 VanDerWaalsContact C-N 3.32Å; N279-G281 PolarHBondContact O-N 2.96Å
280	R	94	Very high	96.1	Very high	25 Å²	25	43.9 Å²	43.9	9%	0.094	22%	0.221	C	C	.	.			trans	-71.1	-28	-174.5	-173.7	68.1	-164.9	118.6	1.2	113.3	C129 Y131 R243 G266 A275 T278 H282	C129-R280 PolarHBondContact SG-NH1 3.43Å; Y131-R280 WeakPolarHBondContact OH-CD 3.42Å; R243-R280 PolarHBondContact NH2-O 2.8Å; G266-R280 PolarHBondContact O-NE 2.95Å; G266-R280 PolarHBondContact O-NH2 3.01Å; A275-R280 HydrophobicContact CB-CB 4.35Å; A275-R280 WeakPolarHBondContact O-CB 3.36Å; A275-R280 PolarHBondContact O-N 3.37Å; T278-R280 PolarHBondContact O-N 2.99Å; R280-H282 VanDerWaalsContact CG-NE2 3.26Å; R280-H282 WeakPolarHBondContact CG-NE2 3.2Å; R280-H282 PolarHBondContact NE-NE2 2.93Å
281	G	93	Very high	96.1	Very high	31 Å²	31	43.5 Å²	43.5	32%	0.32	22%	0.219	S	C	.	.	S	Bend	trans	74	20.2	-179.9	0	0	0	0	0	115	R243 N279	R243-G281 PolarHBondContact NH2-O 3.04Å; N279-G281 VanDerWaalsContact C-N 3.32Å; N279-G281 PolarHBondContact O-N 2.96Å
282	H	94.2	Very high	96.1	Very high	24 Å²	24	42.8 Å²	42.8	11%	0.111	22%	0.217	C	C	.	.	S	Bend	trans	-152.6	161.4	166.8	65	76.1	0	0	0	109.6	G266 R280	G266-H282 PolarHBondContact O-NE2 2.97Å; R280-H282 VanDerWaalsContact CG-NE2 3.26Å; R280-H282 WeakPolarHBondContact CG-NE2 3.2Å; R280-H282 PolarHBondContact NE-NE2 2.93Å
283	T	96.4	Very high	96	Very high	68 Å²	68	40.4 Å²	40.4	42%	0.417	21%	0.209	S	C	.	.			trans	-90	165.6	173.9	59	0	0	0	0	111.4	E272 A286	E272-T283 WeakPolarHBondContact OE2-CA 3.28Å; E272-T283 WeakPolarHBondContact OE2-CB 3.4Å; T283-A286 WeakPolarHBondContact OG1-CB 3.42Å; T283-A286 PolarHBondContact OG1-N 3.12Å
284	V	97.3	Very high	96.1	Very high	12 Å²	12	38.1 Å²	38.1	7%	0.073	20%	0.197	C	C	.	.	H	α-helix	trans	-68.9	-38.7	170.1	-178.7	0	0	0	0	109.9	V270 E272 A286 V287 C288 F330	V270-V284 WeakPolarHBondContact O-CG1 3.47Å; V270-V284 WeakPolarHBondContact O-CG2 3.15Å; E272-V284 HydrophobicContact CG-CB 4.12Å; E272-V284 HydrophobicContact CG-CG2 4.05Å; E272-V284 WeakPolarHBondContact OE1-CA 3.32Å; E272-V284 VanDerWaalsContact OE1-CB 3.3Å; E272-V284 WeakPolarHBondContact OE1-CB 3.32Å; E272-V284 PolarHBondContact OE1-N 2.79Å; E272-V284 PolarHBondContact OE2-N 2.95Å; V284-A286 VanDerWaalsContact C-N 3.28Å; V284-A286 PolarHBondContact O-N 2.9Å; V284-V287 WeakPolarHBondContact O-CA 3.49Å; V284-V287 VanDerWaalsContact O-CB 3.23Å; V284-V287 WeakPolarHBondContact O-CB 3.41Å; V284-V287 PolarHBondContact O-N 3.35Å; V284-C288 PolarHBondContact O-N 3.43Å; V284-C288 VanDerWaalsContact O-N 3.13Å; V284-C288 PolarHBondContact O-SG 2.63Å; V284-F330 HydrophobicContact CG1-CE1 3.87Å; V284-F330 HydrophobicContact CG1-CZ 3.56Å
285	K	96.2	Very high	96.1	Very high	139 Å²	139	38.1 Å²	38.1	60%	0.604	20%	0.197	S	C	*	.	H	α-helix	trans	-53.3	-43.8	173.7	-176.7	176.7	175.4	-177.4	0	113	E272 V287 C288 E289	E272-K285 PolarHBondContact OE1-N 2.75Å; K285-V287 VanDerWaalsContact C-N 3.25Å; K285-V287 PolarHBondContact O-N 3.47Å; K285-C288 PolarHBondContact O-N 2.88Å; K285-C288 VanDerWaalsContact O-N 3.16Å; K285-E289 WeakPolarHBondContact CE-OE1 3.47Å; K285-E289 WeakPolarHBondContact O-CG 3.23Å; K285-E289 PolarHBondContact O-N 3.26Å
286	A	96.2	Very high	96.2	Very high	24 Å²	24	37.7 Å²	37.7	20%	0.198	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-30.3	177.7	0	0	0	0	0	112.8	P244 T283 V284 T290	P244-A286 HydrophobicContact CB-CB 4.46Å; T283-A286 WeakPolarHBondContact OG1-CB 3.42Å; T283-A286 PolarHBondContact OG1-N 3.12Å; V284-A286 VanDerWaalsContact C-N 3.28Å; V284-A286 PolarHBondContact O-N 2.9Å; A286-T290 VanDerWaalsContact O-CB 3.32Å; A286-T290 WeakPolarHBondContact O-CB 3.44Å; A286-T290 PolarHBondContact O-N 2.92Å; A286-T290 PolarHBondContact O-OG1 2.78Å
287	V	97.4	Very high	96.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-64.7	-48.6	172.2	174.7	0	0	0	0	110.2	P244 V267 V284 K285 E289 T290 F291	P244-V287 HydrophobicContact CB-CG2 4.33Å; P244-V287 HydrophobicContact CG-CB 4.4Å; P244-V287 HydrophobicContact CG-CG2 3.53Å; V267-V287 HydrophobicContact CB-CG1 4.27Å; V267-V287 HydrophobicContact CG1-CG1 4Å; V267-V287 HydrophobicContact CG1-CG2 4.34Å; V267-V287 HydrophobicContact CG2-CG1 3.46Å; V267-V287 VanDerWaalsContact CG2-CG1 3.46Å; V267-V287 HydrophobicContact CG2-CG2 4.42Å; V284-V287 WeakPolarHBondContact O-CA 3.49Å; V284-V287 VanDerWaalsContact O-CB 3.23Å; V284-V287 WeakPolarHBondContact O-CB 3.41Å; V284-V287 PolarHBondContact O-N 3.35Å; K285-V287 VanDerWaalsContact C-N 3.25Å; K285-V287 PolarHBondContact O-N 3.47Å; V287-E289 VanDerWaalsContact C-N 3.33Å; V287-E289 PolarHBondContact O-N 2.75Å; V287-T290 WeakPolarHBondContact O-CB 3.39Å; V287-T290 PolarHBondContact O-N 3.41Å; V287-F291 HydrophobicContact CG1-CD1 4.03Å; V287-F291 HydrophobicContact CG1-CE1 3.65Å; V287-F291 HydrophobicContact CG1-CE2 4.22Å; V287-F291 HydrophobicContact CG1-CG 4.49Å; V287-F291 HydrophobicContact CG1-CZ 3.77Å; V287-F291 WeakPolarHBondContact O-CD1 3.26Å; V287-F291 WeakPolarHBondContact O-CG 3.36Å; V287-F291 PolarHBondContact O-N 3.29Å
288	C	97.1	Very high	96.5	Very high	21 Å²	21	26.8 Å²	26.8	14%	0.142	15%	0.148	C	C	.	.	H	α-helix	trans	-62	-41.2	-179	-58.3	0	0	0	0	111.8	V284 K285 F291 H292 D329 F330 N450	V284-C288 PolarHBondContact O-N 3.43Å; V284-C288 VanDerWaalsContact O-N 3.13Å; V284-C288 PolarHBondContact O-SG 2.63Å; K285-C288 PolarHBondContact O-N 2.88Å; K285-C288 VanDerWaalsContact O-N 3.16Å; C288-F291 PolarHBondContact O-N 2.9Å; C288-H292 PolarHBondContact O-N 3.46Å; C288-D329 HydrophobicContact CB-CB 4.17Å; C288-F330 VanDerWaalsContact SG-CE1 3.54Å; C288-N450 PolarHBondContact O-ND2 3.38Å
289	E	95.9	Very high	96.6	Very high	106 Å²	106	26.6 Å²	26.6	50%	0.495	15%	0.147	S	C	.	.	H	α-helix	trans	-64.2	-43.1	174.4	-70.2	172.7	174.4	0	0	111.6	K285 V287 F291 H292 S293	K285-E289 WeakPolarHBondContact CE-OE1 3.47Å; K285-E289 WeakPolarHBondContact O-CG 3.23Å; K285-E289 PolarHBondContact O-N 3.26Å; V287-E289 VanDerWaalsContact C-N 3.33Å; V287-E289 PolarHBondContact O-N 2.75Å; E289-F291 VanDerWaalsContact C-N 3.34Å; E289-F291 PolarHBondContact O-N 3.26Å; E289-H292 WeakPolarHBondContact O-CB 3.1Å; E289-H292 PolarHBondContact O-N 3.38Å; E289-S293 PolarHBondContact O-N 2.99Å
290	T	96.9	Very high	96.8	Very high	10 Å²	10	25.7 Å²	25.7	6%	0.061	14%	0.141	C	C	.	.	H	α-helix	trans	-59.3	-44.6	174.3	-69.4	0	0	0	0	111.6	P244 C247 I265 A286 V287 H292 A294	P244-T290 WeakPolarHBondContact CA-OG1 3.45Å; P244-T290 WeakPolarHBondContact CB-OG1 3.34Å; P244-T290 PolarHBondContact O-OG1 2.98Å; C247-T290 HydrophobicContact CB-CG2 3.32Å; I265-T290 HydrophobicContact CD1-CG2 4.02Å; I265-T290 HydrophobicContact CG1-CG2 4.24Å; A286-T290 VanDerWaalsContact O-CB 3.32Å; A286-T290 WeakPolarHBondContact O-CB 3.44Å; A286-T290 PolarHBondContact O-N 2.92Å; A286-T290 PolarHBondContact O-OG1 2.78Å; V287-T290 WeakPolarHBondContact O-CB 3.39Å; V287-T290 PolarHBondContact O-N 3.41Å; T290-H292 VanDerWaalsContact C-N 3.31Å; T290-H292 PolarHBondContact O-N 3.25Å; T290-A294 WeakPolarHBondContact O-CB 3.41Å; T290-A294 PolarHBondContact O-N 2.89Å
291	F	97.8	Very high	97	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.6	-42.8	178.2	-78.1	15.6	0	0	0	110.7	I265 V267 V287 C288 E289 K295 V301 A303 F324 F330 A332 N450	I265-F291 HydrophobicContact CB-CE1 3.83Å; I265-F291 HydrophobicContact CG1-CD1 4.4Å; I265-F291 HydrophobicContact CG1-CE1 3.89Å; I265-F291 HydrophobicContact CG2-CE1 4.03Å; V267-F291 HydrophobicContact CG2-CE1 4.11Å; V267-F291 HydrophobicContact CG2-CZ 3.64Å; V287-F291 HydrophobicContact CG1-CD1 4.03Å; V287-F291 HydrophobicContact CG1-CE1 3.65Å; V287-F291 HydrophobicContact CG1-CE2 4.22Å; V287-F291 HydrophobicContact CG1-CG 4.49Å; V287-F291 HydrophobicContact CG1-CZ 3.77Å; V287-F291 WeakPolarHBondContact O-CD1 3.26Å; V287-F291 WeakPolarHBondContact O-CG 3.36Å; V287-F291 PolarHBondContact O-N 3.29Å; C288-F291 PolarHBondContact O-N 2.9Å; E289-F291 VanDerWaalsContact C-N 3.34Å; E289-F291 PolarHBondContact O-N 3.26Å; F291-K295 VanDerWaalsContact O-CB 3.3Å; F291-K295 WeakPolarHBondContact O-CB 3.19Å; F291-K295 VanDerWaalsContact O-CG 3.23Å; F291-K295 WeakPolarHBondContact O-CG 3.41Å; F291-K295 PolarHBondContact O-N 3.18Å; F291-V301 HydrophobicContact CD1-CG1 3.52Å; F291-V301 HydrophobicContact CD2-CG1 4.33Å; F291-V301 HydrophobicContact CE1-CG1 3.51Å; F291-V301 HydrophobicContact CE2-CG1 4.33Å; F291-V301 HydrophobicContact CG-CG1 3.94Å; F291-V301 HydrophobicContact CZ-CG1 3.93Å; F291-A303 HydrophobicContact CZ-CB 4.08Å; F291-F324 HydrophobicContact CE2-CE2 4.46Å; F291-F330 WeakPolarHBondContact CD2-O 3.35Å; F291-F330 HydrophobicContact CE2-CB 4.49Å; F291-F330 HydrophobicContact CE2-CD1 4.25Å; F291-A332 HydrophobicContact CE2-CB 4.23Å; F291-N450 VanDerWaalsContact CB-ND2 3.3Å; F291-N450 WeakPolarHBondContact CB-ND2 3.32Å
292	H	97.1	Very high	97.3	Very high	27 Å²	27	23 Å²	23	13%	0.125	12%	0.121	C	C	.	.	H	α-helix	trans	-57.5	-58.6	176.5	-167.5	176	0	0	0	112	C288 E289 T290 A294 K295 D296 N450 S477	C288-H292 PolarHBondContact O-N 3.46Å; E289-H292 WeakPolarHBondContact O-CB 3.1Å; E289-H292 PolarHBondContact O-N 3.38Å; T290-H292 VanDerWaalsContact C-N 3.31Å; T290-H292 PolarHBondContact O-N 3.25Å; H292-A294 VanDerWaalsContact C-N 3.33Å; H292-A294 PolarHBondContact O-N 3.14Å; H292-K295 PolarHBondContact O-N 2.92Å; H292-D296 IonicContact CD2-OD2 3.74Å; H292-D296 PolarHBondContact CD2-OD2 2.87Å; H292-D296 IonicContact NE2-OD2 2.9Å; H292-D296 PolarHBondContact NE2-OD2 3.04Å; H292-D296 PolarHBondContact O-N 3.47Å; H292-N450 HydrophobicContact CB-CB 3.82Å; H292-N450 PolarHBondContact CD2-O 2.79Å; H292-N450 PolarHBondContact NE2-O 3.06Å; H292-N450 VanDerWaalsContact NE2-O 3.11Å; H292-S477 PolarHBondContact NE2-OG 3.02Å
293	S	96.8	Very high	97.4	Very high	29 Å²	29	21.9 Å²	21.9	20%	0.203	12%	0.116	C	C	.	.	H	α-helix	trans	-64.7	-35.9	-178.1	-61.6	0	0	0	0	112.8	E289 A297	E289-S293 PolarHBondContact O-N 2.99Å; S293-A297 VanDerWaalsContact O-CB 3.29Å; S293-A297 WeakPolarHBondContact O-CB 3.48Å; S293-A297 PolarHBondContact O-N 2.9Å
294	A	97.9	Very high	97.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.3	-43.7	177.1	0	0	0	0	0	112.2	L252 L263 T290 H292 A297 G298 F299 V301	L252-A294 HydrophobicContact CD2-CB 4.37Å; L263-A294 HydrophobicContact CD1-CB 3.75Å; T290-A294 WeakPolarHBondContact O-CB 3.41Å; T290-A294 PolarHBondContact O-N 2.89Å; H292-A294 VanDerWaalsContact C-N 3.33Å; H292-A294 PolarHBondContact O-N 3.14Å; A294-A297 CarbonylContact O-C 3.46Å; A294-A297 PolarHBondContact O-N 3.01Å; A294-G298 PolarHBondContact O-N 2.99Å; A294-F299 HydrophobicContact CB-CB 4.41Å; A294-F299 WeakPolarHBondContact O-CB 3.39Å; A294-F299 PolarHBondContact O-N 3.1Å; A294-V301 HydrophobicContact CB-CG2 3.77Å
295	K	98.2	Very high	97.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.9	-42.7	177	-73.5	-159.5	166.7	92.6	0	111.7	F291 H292 A297 G298 V301 F330 R331 A449 N450 E454 R474	F291-K295 VanDerWaalsContact O-CB 3.3Å; F291-K295 WeakPolarHBondContact O-CB 3.19Å; F291-K295 VanDerWaalsContact O-CG 3.23Å; F291-K295 WeakPolarHBondContact O-CG 3.41Å; F291-K295 PolarHBondContact O-N 3.18Å; H292-K295 PolarHBondContact O-N 2.92Å; K295-A297 VanDerWaalsContact C-N 3.3Å; K295-A297 PolarHBondContact O-N 2.8Å; K295-G298 WeakPolarHBondContact O-CA 3.35Å; K295-G298 PolarHBondContact O-N 3.42Å; K295-V301 HydrophobicContact CG-CG2 3.92Å; K295-F330 PolarHBondContact NZ-O 2.79Å; K295-F330 VanDerWaalsContact NZ-O 3.11Å; K295-R331 WeakPolarHBondContact CE-O 3.49Å; K295-R331 PolarHBondContact NZ-O 2.74Å; K295-A449 HydrophobicContact CD-CB 4.3Å; K295-N450 PolarHBondContact NZ-OD1 3.44Å; K295-E454 WeakPolarHBondContact CD-OE1 3.3Å; K295-R474 WeakPolarHBondContact O-CD 3.29Å
296	D	97.1	Very high	97.6	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-69	-25.7	176.2	-83.5	-2.4	0	0	0	113	H292 G298 R474 S477 G480 T481 L486	H292-D296 IonicContact CD2-OD2 3.74Å; H292-D296 PolarHBondContact CD2-OD2 2.87Å; H292-D296 IonicContact NE2-OD2 2.9Å; H292-D296 PolarHBondContact NE2-OD2 3.04Å; H292-D296 PolarHBondContact O-N 3.47Å; D296-G298 PolarHBondContact O-N 3.25Å; D296-R474 IonicContact OD1-CZ 2.75Å; D296-R474 IonicContact OD1-NE 3.13Å; D296-R474 PolarHBondContact OD1-NE 2.63Å; D296-R474 IonicContact OD1-NH2 2.91Å; D296-R474 PolarHBondContact OD1-NH2 3.29Å; D296-S477 PolarHBondContact OD1-N 3.17Å; D296-S477 WeakPolarHBondContact OD2-CB 3.39Å; D296-S477 PolarHBondContact OD2-N 3.42Å; D296-S477 PolarHBondContact OD2-OG 3.41Å; D296-G480 WeakPolarHBondContact OD2-CA 3.29Å; D296-G480 PolarHBondContact OD2-N 3.35Å; D296-T481 PolarHBondContact OD2-N 2.96Å; D296-L486 VanDerWaalsContact O-CD1 3.22Å; D296-L486 WeakPolarHBondContact O-CD1 3.46Å
297	A	97.8	Very high	97.7	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.008	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	2.2	167.9	0	0	0	0	0	113.6	S293 A294 K295 F299 F482 Y562	S293-A297 VanDerWaalsContact O-CB 3.29Å; S293-A297 WeakPolarHBondContact O-CB 3.48Å; S293-A297 PolarHBondContact O-N 2.9Å; A294-A297 CarbonylContact O-C 3.46Å; A294-A297 PolarHBondContact O-N 3.01Å; K295-A297 VanDerWaalsContact C-N 3.3Å; K295-A297 PolarHBondContact O-N 2.8Å; A297-F299 HydrophobicContact CB-CD2 3.89Å; A297-F299 HydrophobicContact CB-CE2 3.99Å; A297-F482 HydrophobicContact CB-CE1 4.03Å; A297-F482 HydrophobicContact CB-CZ 4.22Å; A297-Y562 PolarHBondContact O-OH 2.91Å
298	G	98.1	Very high	97.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	-7.8	174.5	0	0	0	0	0	116	A294 K295 D296 I492 R494 I542	A294-G298 PolarHBondContact O-N 2.99Å; K295-G298 WeakPolarHBondContact O-CA 3.35Å; K295-G298 PolarHBondContact O-N 3.42Å; D296-G298 PolarHBondContact O-N 3.25Å; G298-I492 VanDerWaalsContact CA-CD1 3.4Å; G298-R494 WeakPolarHBondContact O-CA 3.46Å; G298-R494 WeakPolarHBondContact O-CB 3.48Å; G298-R494 WeakPolarHBondContact O-CG 3.21Å; G298-I542 WeakPolarHBondContact O-CG2 3.38Å
299	F	98.6	Very high	97.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.			trans	-63.2	146.1	-176.7	-69.5	-80.2	0	0	0	112.4	L252 M255 L256 C260 L263 A294 A297 R494 I542	L252-F299 HydrophobicContact CB-CE2 4.23Å; L252-F299 HydrophobicContact CD2-CD2 4.3Å; L252-F299 HydrophobicContact CD2-CE2 4.01Å; M255-F299 HydrophobicContact CB-CE1 4.22Å; M255-F299 HydrophobicContact CB-CZ 3.85Å; L256-F299 HydrophobicContact CB-CZ 4.49Å; L256-F299 HydrophobicContact CD1-CE2 4.45Å; L256-F299 HydrophobicContact CD2-CE1 4.01Å; L256-F299 HydrophobicContact CD2-CE2 3.84Å; L256-F299 HydrophobicContact CD2-CZ 3.49Å; L256-F299 VanDerWaalsContact CD2-CZ 3.49Å; L256-F299 HydrophobicContact CG-CE1 4.45Å; L256-F299 HydrophobicContact CG-CE2 3.85Å; L256-F299 HydrophobicContact CG-CZ 3.53Å; C260-F299 HydrophobicContact CB-CE1 3.99Å; C260-F299 WeakPolarHBondContact O-CE1 3.44Å; L263-F299 HydrophobicContact CD1-CB 4.2Å; L263-F299 HydrophobicContact CD1-CD1 4.34Å; L263-F299 HydrophobicContact CD1-CD2 4.03Å; L263-F299 HydrophobicContact CD1-CE2 4.47Å; L263-F299 HydrophobicContact CD1-CG 3.94Å; L263-F299 HydrophobicContact CD2-CD1 3.93Å; L263-F299 HydrophobicContact CD2-CE1 4.02Å; L263-F299 HydrophobicContact CD2-CG 4.38Å; L263-F299 HydrophobicContact CG-CB 4Å; L263-F299 HydrophobicContact CG-CD1 3.83Å; L263-F299 HydrophobicContact CG-CD2 4.41Å; L263-F299 HydrophobicContact CG-CE1 4.37Å; L263-F299 HydrophobicContact CG-CG 3.84Å; A294-F299 HydrophobicContact CB-CB 4.41Å; A294-F299 WeakPolarHBondContact O-CB 3.39Å; A294-F299 PolarHBondContact O-N 3.1Å; A297-F299 HydrophobicContact CB-CD2 3.89Å; A297-F299 HydrophobicContact CB-CE2 3.99Å; F299-R494 PolarHBondContact O-NE 3.44Å; F299-R494 PolarHBondContact O-NH2 3.37Å; F299-I542 HydrophobicContact CD1-CD1 3.85Å; F299-I542 HydrophobicContact CE1-CD1 4.15Å; F299-I542 HydrophobicContact CG-CD1 4.14Å
300	K	98.6	Very high	97.6	Very high	20 Å²	20	6.1 Å²	6.1	9%	0.087	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	131.6	157.9	-66.2	179.2	-75.2	-176.8	0	109.3	T261 R262 L263 E495	T261-K300 PolarHBondContact O-N 2.95Å; R262-K300 CarbonylContact C-O 3.59Å; R262-K300 WeakPolarHBondContact CA-O 3.31Å; R262-K300 HydrophobicContact CB-CB 4.07Å; R262-K300 HydrophobicContact CG-CB 3.85Å; L263-K300 PolarHBondContact N-O 3.31Å; K300-E495 HydrophobicContact CD-CB 3.92Å; K300-E495 HydrophobicContact CD-CG 3.91Å; K300-E495 WeakPolarHBondContact CD-OE1 3.5Å; K300-E495 HydrophobicContact CG-CB 4.28Å; K300-E495 IonicContact NZ-OE1 3.3Å; K300-E495 PolarHBondContact NZ-OE1 3.32Å
301	V	98.5	Very high	97.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.7	-178.7	-179.1	0	0	0	0	109.2	F291 A294 K295 D333 G334	F291-V301 HydrophobicContact CD1-CG1 3.52Å; F291-V301 HydrophobicContact CD2-CG1 4.33Å; F291-V301 HydrophobicContact CE1-CG1 3.51Å; F291-V301 HydrophobicContact CE2-CG1 4.33Å; F291-V301 HydrophobicContact CG-CG1 3.94Å; F291-V301 HydrophobicContact CZ-CG1 3.93Å; A294-V301 HydrophobicContact CB-CG2 3.77Å; K295-V301 HydrophobicContact CG-CG2 3.92Å; V301-D333 PolarHBondContact N-OD2 3.38Å; V301-D333 PolarHBondContact O-N 2.84Å; V301-G334 PolarHBondContact O-N 3.47Å
302	V	98.5	Very high	97.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128	175.9	172.8	0	0	0	0	109.1	R262 L263 E264 I265 G334 K336 Y383	R262-V302 HydrophobicContact CG-CG2 4.09Å; L263-V302 PolarHBondContact O-N 2.86Å; E264-V302 WeakPolarHBondContact CA-O 3.48Å; E264-V302 HydrophobicContact CG-CB 3.86Å; E264-V302 HydrophobicContact CG-CG1 4Å; I265-V302 PolarHBondContact N-O 3.46Å; V302-G334 VanDerWaalsContact CA-O 3.32Å; V302-G334 WeakPolarHBondContact CA-O 3.41Å; V302-K336 HydrophobicContact CG1-CG 4.32Å; V302-Y383 HydrophobicContact CG1-CD2 4.17Å; V302-Y383 HydrophobicContact CG1-CE2 4.28Å; V302-Y383 HydrophobicContact CG2-CD2 4.34Å; V302-Y383 HydrophobicContact CG2-CE2 3.63Å
303	A	98.1	Very high	97.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	141.7	175.8	0	0	0	0	0	110.8	V267 F291 M305 F324 A332 G334 L335 K336	V267-A303 HydrophobicContact CG2-CB 3.9Å; F291-A303 HydrophobicContact CZ-CB 4.08Å; A303-M305 HydrophobicContact CB-CG 4.39Å; A303-F324 HydrophobicContact CB-CE2 3.61Å; A303-F324 HydrophobicContact CB-CZ 3.43Å; A303-F324 VanDerWaalsContact CB-CZ 3.43Å; A303-A332 HydrophobicContact CB-CB 4.23Å; A303-G334 PolarHBondContact N-O 3.35Å; A303-L335 HydrophobicContact CB-CD1 4.32Å; A303-L335 CarbonylContact O-C 3.47Å; A303-L335 WeakPolarHBondContact O-CA 3.45Å; A303-K336 PolarHBondContact O-N 3.39Å
304	H	97.2	Very high	97.1	Very high	17 Å²	17	14.2 Å²	14.2	8%	0.079	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.2	159.6	-59.3	-172.3	0	0	0	107.5	E264 I265 V267 Q268 K336 Y338	E264-H304 IonicContact OE2-CD2 2.69Å; E264-H304 IonicContact OE2-CE1 4Å; E264-H304 PolarHBondContact OE2-CE1 3.11Å; E264-H304 IonicContact OE2-NE2 3.14Å; E264-H304 PolarHBondContact OE2-NE2 3.45Å; I265-H304 PolarHBondContact O-N 3.07Å; V267-H304 PolarHBondContact N-O 3.17Å; Q268-H304 WeakPolarHBondContact CA-O 3.11Å; Q268-H304 PolarHBondContact N-O 2.94Å; Q268-H304 PolarHBondContact OE1-O 3.28Å; H304-K336 WeakPolarHBondContact CA-O 3.13Å; H304-Y338 HydrophobicContact CB-CD2 4.28Å; H304-Y338 HydrophobicContact CB-CE2 4.35Å; H304-Y338 AromaticContact CG-CE2 3.95Å; H304-Y338 AromaticContact ND1-CE2 3.63Å
305	M	97.9	Very high	97.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.2	177.7	-63.9	-62.4	-71	0	0	109.4	V267 V270 A303 Q320 F321 F324 L335 K336 Y338	V267-M305 HydrophobicContact CB-SD 3.7Å; V267-M305 HydrophobicContact CG1-SD 3.66Å; V270-M305 HydrophobicContact CG1-CE 3.82Å; A303-M305 HydrophobicContact CB-CG 4.39Å; M305-Q320 HydrophobicContact CE-CG 3.77Å; M305-F321 HydrophobicContact CB-CE1 3.67Å; M305-F321 HydrophobicContact CB-CZ 3.79Å; M305-F321 HydrophobicContact CG-CE1 4.11Å; M305-F324 HydrophobicContact CE-CD2 4.28Å; M305-F324 HydrophobicContact CG-CD2 4.49Å; M305-F324 HydrophobicContact CG-CE2 4.37Å; M305-F324 HydrophobicContact SD-CD2 4.13Å; M305-F324 HydrophobicContact SD-CE2 4.19Å; M305-L335 HydrophobicContact CB-CD1 3.83Å; M305-L335 HydrophobicContact CG-CD1 3.38Å; M305-K336 PolarHBondContact N-O 3.1Å; M305-Y338 PolarHBondContact O-N 2.93Å
306	M	97.7	Very high	97.1	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.025	13%	0.125	C	C	.	.			trans	-123.3	107.6	-176.7	-67.8	179.4	60.5	0	0	109.7	Y131 Q268 L309 Y338 T340	Y131-M306 HydrophobicContact CD1-CE 4.4Å; Y131-M306 HydrophobicContact CD2-CE 3.64Å; Y131-M306 HydrophobicContact CD2-SD 3.85Å; Y131-M306 HydrophobicContact CE2-CE 4.1Å; Y131-M306 HydrophobicContact CE2-SD 3.66Å; Y131-M306 HydrophobicContact CG-CE 3.83Å; Y131-M306 HydrophobicContact CG-SD 4.44Å; Q268-M306 HydrophobicContact CB-CB 4.35Å; Q268-M306 HydrophobicContact CB-CG 4.23Å; Q268-M306 HydrophobicContact CB-SD 4.18Å; Q268-M306 HydrophobicContact CG-SD 4.14Å; Q268-M306 PolarHBondContact O-N 3.08Å; Q268-M306 VanDerWaalsContact OE1-CG 3.23Å; Q268-M306 PolarHBondContact OE1-SD 3.09Å; Q268-M306 VanDerWaalsContact OE1-SD 3.39Å; M306-L309 HydrophobicContact CB-CD1 4Å; M306-L309 HydrophobicContact CB-CD2 4.19Å; M306-L309 HydrophobicContact CB-CG 3.93Å; M306-L309 HydrophobicContact CE-CD2 3.9Å; M306-Y338 WeakPolarHBondContact CA-O 3.42Å; M306-Y338 WeakPolarHBondContact CB-O 3.34Å; M306-Y338 VanDerWaalsContact CG-O 3.3Å; M306-Y338 WeakPolarHBondContact CG-O 3.32Å; M306-T340 HydrophobicContact CE-CG2 4.44Å
307	P	97.6	Very high	97.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-73.7	166.8	164.5	28.2	-29.1	0	0	0	111.1	L309 D317 F321 I337 P339 T340 L368 I369	P307-L309 VanDerWaalsContact C-N 3.27Å; P307-L309 PolarHBondContact O-N 3.25Å; P307-D317 WeakPolarHBondContact CA-OD1 3.44Å; P307-F321 HydrophobicContact CB-CE2 4.26Å; P307-I337 HydrophobicContact CG-CG2 3.98Å; P307-P339 HydrophobicContact CG-CB 4.29Å; P307-P339 HydrophobicContact CG-CG 4.17Å; P307-T340 PolarHBondContact O-N 2.87Å; P307-T340 VanDerWaalsContact O-N 3.1Å; P307-T340 PolarHBondContact O-OG1 3.48Å; P307-L368 HydrophobicContact CB-CD2 3.94Å; P307-I369 HydrophobicContact CG-CD1 4.16Å
308	D	97.2	Very high	97.2	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	13%	0.13	C	C	.	.	S	Bend	trans	63.9	29.3	177.1	-162.5	22.8	0	0	0	113.3	D317 T340 Y357 S359 Y360	D308-D317 PolarHBondContact N-OD2 2.94Å; D308-T340 VanDerWaalsContact O-CB 3.23Å; D308-T340 WeakPolarHBondContact O-CB 3.44Å; D308-T340 PolarHBondContact O-OG1 3.02Å; D308-Y357 WeakPolarHBondContact O-CE2 3.49Å; D308-Y357 PolarHBondContact O-OH 2.81Å; D308-Y357 PolarHBondContact OD2-OH 3.01Å; D308-S359 WeakPolarHBondContact OD2-CA 3.43Å; D308-S359 WeakPolarHBondContact OD2-CB 3.39Å; D308-Y360 HydrophobicContact CB-CD2 3.67Å; D308-Y360 HydrophobicContact CB-CE2 3.66Å; D308-Y360 HydrophobicContact CB-CG 4.3Å; D308-Y360 WeakPolarHBondContact OD1-CD1 3.34Å; D308-Y360 PolarHBondContact OD1-N 2.82Å; D308-Y360 PolarHBondContact OD2-N 2.99Å
309	L	97	Very high	97.2	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	15%	0.149	C	C	.	.			trans	-72.5	153.9	173.5	-79.4	174.6	0	0	0	110.9	Y131 Q268 V274 M306 P307 N311 V312	Y131-L309 HydrophobicContact CD1-CD2 3.67Å; Y131-L309 HydrophobicContact CE1-CD2 4.02Å; Y131-L309 HydrophobicContact CG-CD2 4.32Å; Q268-L309 HydrophobicContact CB-CD1 4.38Å; V274-L309 HydrophobicContact CG1-CB 4.21Å; V274-L309 HydrophobicContact CG1-CD1 3.73Å; M306-L309 HydrophobicContact CB-CD1 4Å; M306-L309 HydrophobicContact CB-CD2 4.19Å; M306-L309 HydrophobicContact CB-CG 3.93Å; M306-L309 HydrophobicContact CE-CD2 3.9Å; P307-L309 VanDerWaalsContact C-N 3.27Å; P307-L309 PolarHBondContact O-N 3.25Å; L309-N311 PolarHBondContact O-N 2.86Å; L309-V312 HydrophobicContact CB-CG2 4.18Å; L309-V312 PolarHBondContact O-N 2.91Å; L309-V312 VanDerWaalsContact O-N 3.15Å
310	P	95.1	Very high	97.1	Very high	11 Å²	11	28.7 Å²	28.7	7%	0.071	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	140.8	173.6	-25.8	34.8	0	0	0	112.2	M130 V312 I348 L351 Y357	M130-P310 HydrophobicContact SD-CG 4.18Å; P310-V312 PolarHBondContact O-N 3.46Å; P310-I348 HydrophobicContact CG-CD1 3.72Å; P310-I348 HydrophobicContact CG-CG1 4.09Å; P310-L351 HydrophobicContact CG-CD1 4.48Å; P310-Y357 HydrophobicContact CB-CD2 4.33Å; P310-Y357 HydrophobicContact CG-CD2 4.1Å; P310-Y357 HydrophobicContact CG-CE2 4.33Å
311	N	91.8	Very high	97.1	Very high	112 Å²	112	27.8 Å²	27.8	60%	0.599	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	12	-178.9	-54	-28.3	0	0	0	115.6	L309 R316	L309-N311 PolarHBondContact O-N 2.86Å; N311-R316 PolarHBondContact O-NH1 3.27Å
312	V	95.2	Very high	97.1	Very high	8 Å²	8	29.6 Å²	29.6	5%	0.048	15%	0.154	C	C	.	.			trans	-115.7	107.5	173.3	-170.6	0	0	0	0	109	Y271 V274 L309 P310 R316 D317 Y360	Y271-V312 HydrophobicContact CE2-CG1 4.48Å; V274-V312 HydrophobicContact CB-CG2 4.37Å; V274-V312 HydrophobicContact CG1-CG2 4.14Å; V274-V312 HydrophobicContact CG2-CG2 3.27Å; L309-V312 HydrophobicContact CB-CG2 4.18Å; L309-V312 PolarHBondContact O-N 2.91Å; L309-V312 VanDerWaalsContact O-N 3.15Å; P310-V312 PolarHBondContact O-N 3.46Å; V312-R316 HydrophobicContact CG1-CB 3.65Å; V312-D317 WeakPolarHBondContact CG1-OD1 3.38Å; V312-Y360 PolarHBondContact O-OH 3.17Å; V312-Y360 VanDerWaalsContact O-OH 3.09Å
313	G	95.5	Very high	97.1	Very high	38 Å²	38	32.9 Å²	32.9	39%	0.392	17%	0.169	S	C	.	.			trans	-82.4	171.8	174.5	0	0	0	0	0	112.9	E315 R316 D317	G313-E315 VanDerWaalsContact C-N 3.31Å; G313-E315 PolarHBondContact O-N 3.35Å; G313-R316 WeakPolarHBondContact O-CA 3.46Å; G313-R316 WeakPolarHBondContact O-CB 3.4Å; G313-R316 PolarHBondContact O-N 2.97Å; G313-D317 PolarHBondContact O-N 2.86Å
314	L	96.7	Very high	97.1	Very high	78 Å²	78	32.9 Å²	32.9	41%	0.408	17%	0.169	S	C	.	.	H	α-helix	trans	-53.8	-43.3	-172.6	-177.1	64.8	0	0	0	113.7	D317 I318 Y360 V364 L368	L314-D317 PolarHBondContact O-N 3.25Å; L314-I318 PolarHBondContact O-N 3.12Å; L314-I318 VanDerWaalsContact O-N 3.12Å; L314-Y360 WeakPolarHBondContact CA-OH 3.4Å; L314-Y360 HydrophobicContact CD1-CE2 4.38Å; L314-Y360 PolarHBondContact N-OH 3.11Å; L314-V364 HydrophobicContact CD1-CG1 4.12Å; L314-V364 HydrophobicContact CD2-CG1 4.03Å; L314-L368 HydrophobicContact CD1-CB 3.92Å; L314-L368 HydrophobicContact CD1-CD1 3.93Å; L314-L368 HydrophobicContact CD1-CD2 3.93Å; L314-L368 HydrophobicContact CD1-CG 4.12Å
315	E	97.3	Very high	97.1	Very high	124 Å²	124	32.7 Å²	32.7	58%	0.579	17%	0.168	S	C	*	.	H	α-helix	trans	-66.2	-41.3	178.6	-175.6	56.4	-151.8	0	0	111.7	G313 D317 I318 Q319	G313-E315 VanDerWaalsContact C-N 3.31Å; G313-E315 PolarHBondContact O-N 3.35Å; E315-D317 VanDerWaalsContact C-N 3.3Å; E315-D317 PolarHBondContact O-N 3.17Å; E315-I318 PolarHBondContact O-N 2.88Å; E315-Q319 WeakPolarHBondContact O-CG 3.21Å; E315-Q319 PolarHBondContact O-N 3.28Å; E315-Q319 PolarHBondContact OE1-NE2 3.04Å
316	R	98	Very high	97.1	Very high	77 Å²	77	38.8 Å²	38.8	29%	0.291	20%	0.197	S	C	.	.	H	α-helix	trans	-64.2	-36.2	175.3	-71.7	-173.2	68	-179.1	9.3	111.3	Y271 D273 N311 V312 G313 Q319 Q320	Y271-R316 HydrophobicContact CE2-CB 4.09Å; Y271-R316 VanDerWaalsContact CG-NH2 3.28Å; Y271-R316 PolarHBondContact OH-O 2.81Å; D273-R316 IonicContact OD1-NH2 2.75Å; D273-R316 PolarHBondContact OD1-NH2 3.22Å; D273-R316 IonicContact OD2-CZ 2.86Å; D273-R316 IonicContact OD2-NH1 3.15Å; D273-R316 PolarHBondContact OD2-NH1 2.81Å; D273-R316 IonicContact OD2-NH2 3.82Å; D273-R316 PolarHBondContact OD2-NH2 2.93Å; N311-R316 PolarHBondContact O-NH1 3.27Å; V312-R316 HydrophobicContact CG1-CB 3.65Å; G313-R316 WeakPolarHBondContact O-CA 3.46Å; G313-R316 WeakPolarHBondContact O-CB 3.4Å; G313-R316 PolarHBondContact O-N 2.97Å; R316-Q319 PolarHBondContact O-N 3.3Å; R316-Q320 VanDerWaalsContact O-CB 3.23Å; R316-Q320 WeakPolarHBondContact O-CB 3.41Å; R316-Q320 PolarHBondContact O-N 3.36Å
317	D	98.1	Very high	97.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-43	174.7	-87.3	-38.3	0	0	0	111.7	P307 D308 V312 G313 L314 E315 Q320 F321 Y360 L368	P307-D317 WeakPolarHBondContact CA-OD1 3.44Å; D308-D317 PolarHBondContact N-OD2 2.94Å; V312-D317 WeakPolarHBondContact CG1-OD1 3.38Å; G313-D317 PolarHBondContact O-N 2.86Å; L314-D317 PolarHBondContact O-N 3.25Å; E315-D317 VanDerWaalsContact C-N 3.3Å; E315-D317 PolarHBondContact O-N 3.17Å; D317-Q320 WeakPolarHBondContact O-CB 3.48Å; D317-Q320 PolarHBondContact O-N 3.37Å; D317-F321 WeakPolarHBondContact O-CD2 3.35Å; D317-F321 PolarHBondContact O-N 3Å; D317-Y360 VanDerWaalsContact OD2-CE2 3.25Å; D317-Y360 WeakPolarHBondContact OD2-CE2 3.44Å; D317-Y360 PolarHBondContact OD2-OH 2.96Å; D317-L368 HydrophobicContact CB-CD1 4.14Å; D317-L368 HydrophobicContact CB-CD2 4.05Å
318	I	97.8	Very high	97.2	Very high	24 Å²	24	43 Å²	43	12%	0.123	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-50.1	175.6	-67	-69.8	0	0	0	110.8	L314 E315 Q320 F321 I322 L368 R371	L314-I318 PolarHBondContact O-N 3.12Å; L314-I318 VanDerWaalsContact O-N 3.12Å; E315-I318 PolarHBondContact O-N 2.88Å; I318-Q320 VanDerWaalsContact C-N 3.28Å; I318-Q320 PolarHBondContact O-N 3.41Å; I318-F321 PolarHBondContact O-N 3.35Å; I318-F321 VanDerWaalsContact O-N 3.14Å; I318-I322 HydrophobicContact CG2-CD1 3.83Å; I318-I322 HydrophobicContact CG2-CG1 4.45Å; I318-I322 WeakPolarHBondContact O-CG1 3.17Å; I318-I322 PolarHBondContact O-N 3.41Å; I318-L368 HydrophobicContact CD1-CD1 3.34Å; I318-L368 HydrophobicContact CG1-CD1 3.78Å; I318-R371 HydrophobicContact CD1-CB 3.84Å
319	Q	98.2	Very high	97.2	Very high	82 Å²	82	46.5 Å²	46.5	38%	0.383	24%	0.241	S	C	.	.	H	α-helix	trans	-61.2	-36.8	179	-64.5	-55.7	-31.7	0	0	112.2	E315 R316 F321 I322 E323	E315-Q319 WeakPolarHBondContact O-CG 3.21Å; E315-Q319 PolarHBondContact O-N 3.28Å; E315-Q319 PolarHBondContact OE1-NE2 3.04Å; R316-Q319 PolarHBondContact O-N 3.3Å; Q319-F321 VanDerWaalsContact C-N 3.32Å; Q319-F321 PolarHBondContact O-N 3.21Å; Q319-I322 PolarHBondContact O-N 2.78Å; Q319-E323 WeakPolarHBondContact O-CB 3.46Å; Q319-E323 PolarHBondContact O-N 3.37Å
320	Q	98.2	Very high	97.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56.7	-43.6	174.5	162.5	173.4	-68.6	0	0	112.2	S269 V270 Y271 M305 R316 D317 I318 F324	S269-Q320 PolarHBondContact OG-OE1 3.37Å; V270-Q320 HydrophobicContact CG1-CG 4.21Å; V270-Q320 HydrophobicContact CG2-CB 3.94Å; V270-Q320 HydrophobicContact CG2-CG 3.79Å; Y271-Q320 HydrophobicContact CE2-CB 3.81Å; Y271-Q320 PolarHBondContact OH-N 3.29Å; M305-Q320 HydrophobicContact CE-CG 3.77Å; R316-Q320 VanDerWaalsContact O-CB 3.23Å; R316-Q320 WeakPolarHBondContact O-CB 3.41Å; R316-Q320 PolarHBondContact O-N 3.36Å; D317-Q320 WeakPolarHBondContact O-CB 3.48Å; D317-Q320 PolarHBondContact O-N 3.37Å; I318-Q320 VanDerWaalsContact C-N 3.28Å; I318-Q320 PolarHBondContact O-N 3.41Å; Q320-F324 VanDerWaalsContact O-CB 3.28Å; Q320-F324 WeakPolarHBondContact O-CB 2.96Å; Q320-F324 PolarHBondContact O-N 3.14Å
321	F	98.3	Very high	97.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-77.2	-33.5	179.3	-76.1	-75.2	0	0	0	112.8	M305 P307 D317 I318 Q319 F324 F325 L335 I337 I372	M305-F321 HydrophobicContact CB-CE1 3.67Å; M305-F321 HydrophobicContact CB-CZ 3.79Å; M305-F321 HydrophobicContact CG-CE1 4.11Å; P307-F321 HydrophobicContact CB-CE2 4.26Å; D317-F321 WeakPolarHBondContact O-CD2 3.35Å; D317-F321 PolarHBondContact O-N 3Å; I318-F321 PolarHBondContact O-N 3.35Å; I318-F321 VanDerWaalsContact O-N 3.14Å; Q319-F321 VanDerWaalsContact C-N 3.32Å; Q319-F321 PolarHBondContact O-N 3.21Å; F321-F324 PolarHBondContact O-N 3.19Å; F321-F325 HydrophobicContact CB-CE2 4.29Å; F321-F325 HydrophobicContact CD1-CE2 4.38Å; F321-F325 WeakPolarHBondContact O-CD2 3.49Å; F321-F325 PolarHBondContact O-N 2.7Å; F321-L335 HydrophobicContact CD1-CD2 4.38Å; F321-L335 HydrophobicContact CE1-CD2 4.07Å; F321-I337 HydrophobicContact CZ-CG2 4.29Å; F321-I372 HydrophobicContact CB-CG1 4.16Å; F321-I372 HydrophobicContact CB-CG2 4.21Å; F321-I372 HydrophobicContact CD1-CG2 3.69Å; F321-I372 HydrophobicContact CD2-CB 4.46Å; F321-I372 HydrophobicContact CD2-CD1 3.33Å; F321-I372 HydrophobicContact CD2-CG1 3.48Å; F321-I372 VanDerWaalsContact CD2-CG1 3.48Å; F321-I372 HydrophobicContact CD2-CG2 4.11Å; F321-I372 HydrophobicContact CE1-CG2 4.05Å; F321-I372 HydrophobicContact CE2-CD1 3.32Å; F321-I372 HydrophobicContact CE2-CG1 4.01Å; F321-I372 HydrophobicContact CE2-CG2 4.46Å; F321-I372 HydrophobicContact CG-CB 4.42Å; F321-I372 HydrophobicContact CG-CD1 4.09Å; F321-I372 HydrophobicContact CG-CG1 3.82Å; F321-I372 HydrophobicContact CG-CG2 3.73Å; F321-I372 HydrophobicContact CZ-CD1 4.05Å; F321-I372 HydrophobicContact CZ-CG2 4.42Å
322	I	98.3	Very high	97.6	Very high	39 Å²	39	43 Å²	43	20%	0.2	22%	0.218	C	C	.	.	H	α-helix	trans	-58.4	-53.4	170.6	-66.2	170.1	0	0	0	109.3	I318 Q319 F324 F325 E326 L375	I318-I322 HydrophobicContact CG2-CD1 3.83Å; I318-I322 HydrophobicContact CG2-CG1 4.45Å; I318-I322 WeakPolarHBondContact O-CG1 3.17Å; I318-I322 PolarHBondContact O-N 3.41Å; Q319-I322 PolarHBondContact O-N 2.78Å; I322-F324 VanDerWaalsContact C-N 3.33Å; I322-F324 PolarHBondContact O-N 2.9Å; I322-F325 PolarHBondContact O-N 2.96Å; I322-E326 HydrophobicContact CG2-CG 4.24Å; I322-E326 WeakPolarHBondContact O-CB 3.24Å; I322-E326 WeakPolarHBondContact O-CG 3.31Å; I322-E326 PolarHBondContact O-N 2.81Å; I322-L375 HydrophobicContact CG1-CD1 3.66Å
323	E	98.2	Very high	97.8	Very high	68 Å²	68	42.9 Å²	42.9	32%	0.318	22%	0.217	S	C	.	.	H	α-helix	trans	-57	-46.1	177.8	-176.3	179	173	0	0	111.6	V270 Q319 F325 E326 N327 F330	V270-E323 WeakPolarHBondContact CG2-OE2 3.18Å; Q319-E323 WeakPolarHBondContact O-CB 3.46Å; Q319-E323 PolarHBondContact O-N 3.37Å; E323-F325 PolarHBondContact O-N 2.77Å; E323-E326 PolarHBondContact O-N 2.97Å; E323-N327 HydrophobicContact CG-CB 3.98Å; E323-N327 WeakPolarHBondContact O-CB 3.43Å; E323-N327 PolarHBondContact O-N 2.71Å; E323-F330 HydrophobicContact CG-CE2 4.32Å
324	F	98.3	Very high	97.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.8	-33.4	-179.6	179.8	-97.4	0	0	0	113.8	V270 F291 A303 M305 Q320 F321 I322 F330 R331 A332 L335	V270-F324 HydrophobicContact CG1-CB 4.24Å; V270-F324 HydrophobicContact CG1-CD2 4.42Å; F291-F324 HydrophobicContact CE2-CE2 4.46Å; A303-F324 HydrophobicContact CB-CE2 3.61Å; A303-F324 HydrophobicContact CB-CZ 3.43Å; A303-F324 VanDerWaalsContact CB-CZ 3.43Å; M305-F324 HydrophobicContact CE-CD2 4.28Å; M305-F324 HydrophobicContact CG-CD2 4.49Å; M305-F324 HydrophobicContact CG-CE2 4.37Å; M305-F324 HydrophobicContact SD-CD2 4.13Å; M305-F324 HydrophobicContact SD-CE2 4.19Å; Q320-F324 VanDerWaalsContact O-CB 3.28Å; Q320-F324 WeakPolarHBondContact O-CB 2.96Å; Q320-F324 PolarHBondContact O-N 3.14Å; F321-F324 PolarHBondContact O-N 3.19Å; I322-F324 VanDerWaalsContact C-N 3.33Å; I322-F324 PolarHBondContact O-N 2.9Å; F324-F330 HydrophobicContact CD2-CB 3.76Å; F324-F330 HydrophobicContact CD2-CD1 4.22Å; F324-F330 AromaticContact CD2-CG 3.99Å; F324-F330 HydrophobicContact CD2-CG 3.99Å; F324-F330 HydrophobicContact CE2-CB 4.04Å; F324-F330 HydrophobicContact CE2-CD1 4.5Å; F324-F330 HydrophobicContact CE2-CG 4.49Å; F324-F330 HydrophobicContact CG-CB 4.39Å; F324-F330 WeakPolarHBondContact O-CB 3.47Å; F324-R331 PolarHBondContact O-N 3.31Å; F324-A332 HydrophobicContact CE1-CB 4.38Å; F324-A332 HydrophobicContact CE2-CB 4.44Å; F324-A332 HydrophobicContact CZ-CB 3.64Å; F324-L335 HydrophobicContact CE1-CD1 3.99Å; F324-L335 HydrophobicContact CZ-CD1 4.16Å
325	F	97.6	Very high	98	Very high	13 Å²	13	37.3 Å²	37.3	6%	0.057	18%	0.178	C	C	.	.	H	α-helix	trans	-91.5	-35	179	-62.4	-53.5	0	0	0	113.2	F321 I322 E323 R331 L335 L375 V376 P377 T380	F321-F325 HydrophobicContact CB-CE2 4.29Å; F321-F325 HydrophobicContact CD1-CE2 4.38Å; F321-F325 WeakPolarHBondContact O-CD2 3.49Å; F321-F325 PolarHBondContact O-N 2.7Å; I322-F325 PolarHBondContact O-N 2.96Å; E323-F325 PolarHBondContact O-N 2.77Å; F325-R331 VanDerWaalsContact O-CG 3.24Å; F325-R331 WeakPolarHBondContact O-CG 3.25Å; F325-R331 PolarHBondContact O-NE 2.84Å; F325-L335 HydrophobicContact CE1-CD2 4.29Å; F325-L335 HydrophobicContact CZ-CD2 3.78Å; F325-L375 HydrophobicContact CD2-CB 3.98Å; F325-L375 HydrophobicContact CE2-CB 4.13Å; F325-V376 HydrophobicContact CE2-CG2 4.28Å; F325-V376 HydrophobicContact CZ-CB 4.46Å; F325-V376 HydrophobicContact CZ-CG2 3.85Å; F325-P377 VanDerWaalsContact CD1-CD 3.47Å; F325-P377 HydrophobicContact CD1-CG 4.1Å; F325-T380 HydrophobicContact CE1-CG2 4.28Å
326	E	97.8	Very high	98	Very high	128 Å²	128	32 Å²	32	60%	0.598	15%	0.153	S	C	*	.	H	α-helix	trans	-85.7	-39.7	-175.4	-67.6	-171.6	175.6	0	0	112.9	I322 E323 R331	I322-E326 HydrophobicContact CG2-CG 4.24Å; I322-E326 WeakPolarHBondContact O-CB 3.24Å; I322-E326 WeakPolarHBondContact O-CG 3.31Å; I322-E326 PolarHBondContact O-N 2.81Å; E323-E326 PolarHBondContact O-N 2.97Å; E326-R331 PolarHBondContact O-NE 2.87Å; E326-R331 PolarHBondContact O-NH2 2.96Å
327	N	97.9	Very high	98	Very high	44 Å²	44	28.3 Å²	28.3	24%	0.235	14%	0.139	C	C	.	.	S	Bend	trans	-70	121.9	-178.7	-176.1	-12.5	0	0	0	110.5	E323 D329 F330	E323-N327 HydrophobicContact CG-CB 3.98Å; E323-N327 WeakPolarHBondContact O-CB 3.43Å; E323-N327 PolarHBondContact O-N 2.71Å; N327-D329 PolarHBondContact O-N 3.39Å; N327-D329 VanDerWaalsContact O-N 3.08Å; N327-D329 WeakPolarHBondContact OD1-CB 3.49Å; N327-D329 PolarHBondContact OD1-N 3.02Å; N327-F330 HydrophobicContact CB-CD2 4.14Å; N327-F330 PolarHBondContact O-N 2.91Å; N327-F330 VanDerWaalsContact O-N 3.16Å
328	P	98	Very high	97.9	Very high	50 Å²	50	28.8 Å²	28.8	33%	0.325	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.4	179.8	25.2	-35.6	0	0	0	113.9	F330 V448 A449 N450	P328-F330 PolarHBondContact O-N 2.84Å; P328-V448 HydrophobicContact CB-CG1 4.15Å; P328-A449 CarbonylContact O-C 3.51Å; P328-A449 WeakPolarHBondContact O-CA 3.38Å; P328-N450 PolarHBondContact O-N 3.4Å
329	D	97.5	Very high	97.8	Very high	77 Å²	77	28 Å²	28	41%	0.412	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-13.6	178.9	-70	-19.3	0	0	0	114	C288 N327 N450	C288-D329 HydrophobicContact CB-CB 4.17Å; N327-D329 PolarHBondContact O-N 3.39Å; N327-D329 VanDerWaalsContact O-N 3.08Å; N327-D329 WeakPolarHBondContact OD1-CB 3.49Å; N327-D329 PolarHBondContact OD1-N 3.02Å; D329-N450 PolarHBondContact O-ND2 3.02Å
330	F	97.9	Very high	97.8	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.013	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-81.6	176.8	-61.9	-69.4	0	0	0	112.1	V270 V284 C288 F291 K295 E323 F324 N327 P328 A332 N450	V270-F330 HydrophobicContact CB-CE2 4.14Å; V270-F330 HydrophobicContact CB-CZ 3.94Å; V270-F330 HydrophobicContact CG1-CD2 4.39Å; V270-F330 HydrophobicContact CG1-CE1 4.24Å; V270-F330 HydrophobicContact CG1-CE2 3.91Å; V270-F330 HydrophobicContact CG1-CZ 3.83Å; V284-F330 HydrophobicContact CG1-CE1 3.87Å; V284-F330 HydrophobicContact CG1-CZ 3.56Å; C288-F330 VanDerWaalsContact SG-CE1 3.54Å; F291-F330 WeakPolarHBondContact CD2-O 3.35Å; F291-F330 HydrophobicContact CE2-CB 4.49Å; F291-F330 HydrophobicContact CE2-CD1 4.25Å; K295-F330 PolarHBondContact NZ-O 2.79Å; K295-F330 VanDerWaalsContact NZ-O 3.11Å; E323-F330 HydrophobicContact CG-CE2 4.32Å; F324-F330 HydrophobicContact CD2-CB 3.76Å; F324-F330 HydrophobicContact CD2-CD1 4.22Å; F324-F330 AromaticContact CD2-CG 3.99Å; F324-F330 HydrophobicContact CD2-CG 3.99Å; F324-F330 HydrophobicContact CE2-CB 4.04Å; F324-F330 HydrophobicContact CE2-CD1 4.5Å; F324-F330 HydrophobicContact CE2-CG 4.49Å; F324-F330 HydrophobicContact CG-CB 4.39Å; F324-F330 WeakPolarHBondContact O-CB 3.47Å; N327-F330 HydrophobicContact CB-CD2 4.14Å; N327-F330 PolarHBondContact O-N 2.91Å; N327-F330 VanDerWaalsContact O-N 3.16Å; P328-F330 PolarHBondContact O-N 2.84Å; F330-A332 VanDerWaalsContact C-N 3.29Å; F330-A332 PolarHBondContact O-N 3.03Å; F330-N450 PolarHBondContact O-OD1 3.08Å
331	R	97.7	Very high	97.7	Very high	51 Å²	51	24.9 Å²	24.9	19%	0.192	12%	0.124	C	C	.	.			trans	29.9	60.2	178.4	-74.5	-178.4	-178.3	179.8	-1.1	113.6	K295 F324 F325 E326 Y447 V448 A449	K295-R331 WeakPolarHBondContact CE-O 3.49Å; K295-R331 PolarHBondContact NZ-O 2.74Å; F324-R331 PolarHBondContact O-N 3.31Å; F325-R331 VanDerWaalsContact O-CG 3.24Å; F325-R331 WeakPolarHBondContact O-CG 3.25Å; F325-R331 PolarHBondContact O-NE 2.84Å; E326-R331 PolarHBondContact O-NE 2.87Å; E326-R331 PolarHBondContact O-NH2 2.96Å; R331-Y447 HydrophobicContact CB-CE2 4.49Å; R331-V448 WeakPolarHBondContact CD-O 3.48Å; R331-V448 PolarHBondContact NH1-O 2.89Å; R331-A449 HydrophobicContact CB-CB 3.96Å
332	A	98	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.			trans	-72.5	154	-179.1	0	0	0	0	0	111.5	F291 A303 F324 F330 G334 T380	F291-A332 HydrophobicContact CE2-CB 4.23Å; A303-A332 HydrophobicContact CB-CB 4.23Å; F324-A332 HydrophobicContact CE1-CB 4.38Å; F324-A332 HydrophobicContact CE2-CB 4.44Å; F324-A332 HydrophobicContact CZ-CB 3.64Å; F330-A332 VanDerWaalsContact C-N 3.29Å; F330-A332 PolarHBondContact O-N 3.03Å; A332-G334 PolarHBondContact O-N 3.47Å; A332-T380 PolarHBondContact O-OG1 3.02Å
333	D	98.4	Very high	97.4	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	12%	0.115	C	C	.	.	S	Bend	trans	-73.6	-19.6	178.3	-52.1	-65.7	0	0	0	112.4	V301 T380 R381 R472 R494	V301-D333 PolarHBondContact N-OD2 3.38Å; V301-D333 PolarHBondContact O-N 2.84Å; D333-T380 WeakPolarHBondContact O-CA 3.14Å; D333-R381 PolarHBondContact O-N 3.1Å; D333-R472 IonicContact OD1-CZ 3.19Å; D333-R472 IonicContact OD1-NE 3.39Å; D333-R472 IonicContact OD1-NH1 2.9Å; D333-R472 PolarHBondContact OD1-NH1 3.45Å; D333-R494 IonicContact OD1-CZ 3.07Å; D333-R494 IonicContact OD1-NH1 3.14Å; D333-R494 PolarHBondContact OD1-NH1 2.97Å; D333-R494 IonicContact OD1-NH2 3.51Å; D333-R494 IonicContact OD2-CZ 2.9Å; D333-R494 IonicContact OD2-NH1 3.57Å; D333-R494 IonicContact OD2-NH2 3.27Å; D333-R494 PolarHBondContact OD2-NH2 2.93Å
334	G	98.1	Very high	97.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	165.8	176.8	0	0	0	0	0	113.8	V301 V302 A303 A332 R381	V301-G334 PolarHBondContact O-N 3.47Å; V302-G334 VanDerWaalsContact CA-O 3.32Å; V302-G334 WeakPolarHBondContact CA-O 3.41Å; A303-G334 PolarHBondContact N-O 3.35Å; A332-G334 PolarHBondContact O-N 3.47Å; G334-R381 CarbonylContact C-O 3.53Å; G334-R381 WeakPolarHBondContact CA-O 3.16Å
335	L	98	Very high	96.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	137.8	-173.5	-174.1	61.9	0	0	0	110.4	A303 M305 F321 F324 F325 I337 T380 R381 V382 Y383	A303-L335 HydrophobicContact CB-CD1 4.32Å; A303-L335 CarbonylContact O-C 3.47Å; A303-L335 WeakPolarHBondContact O-CA 3.45Å; M305-L335 HydrophobicContact CB-CD1 3.83Å; M305-L335 HydrophobicContact CG-CD1 3.38Å; F321-L335 HydrophobicContact CD1-CD2 4.38Å; F321-L335 HydrophobicContact CE1-CD2 4.07Å; F324-L335 HydrophobicContact CE1-CD1 3.99Å; F324-L335 HydrophobicContact CZ-CD1 4.16Å; F325-L335 HydrophobicContact CE1-CD2 4.29Å; F325-L335 HydrophobicContact CZ-CD2 3.78Å; L335-I337 HydrophobicContact CD2-CD1 3.9Å; L335-I337 HydrophobicContact CD2-CG1 3.6Å; L335-I337 HydrophobicContact CG-CG1 3.73Å; L335-T380 HydrophobicContact CB-CG2 4.4Å; L335-R381 PolarHBondContact N-O 2.77Å; L335-V382 WeakPolarHBondContact O-CA 3.3Å; L335-Y383 PolarHBondContact O-N 3.36Å
336	K	97.8	Very high	96.7	Very high	11 Å²	11	29.7 Å²	29.7	5%	0.048	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	114	161.1	-64.4	-167.5	-171.2	171.7	0	107.6	E241 E264 V302 A303 H304 M305 Y338	E241-K336 IonicContact OE1-NZ 3.37Å; E264-K336 VanDerWaalsContact CD-CE 3.4Å; E264-K336 WeakPolarHBondContact OE1-CE 3.49Å; E264-K336 IonicContact OE1-NZ 3.78Å; E264-K336 PolarHBondContact OE1-NZ 2.88Å; E264-K336 WeakPolarHBondContact OE2-CE 3.39Å; E264-K336 IonicContact OE2-NZ 3.52Å; E264-K336 PolarHBondContact OE2-NZ 3.4Å; V302-K336 HydrophobicContact CG1-CG 4.32Å; A303-K336 PolarHBondContact O-N 3.39Å; H304-K336 WeakPolarHBondContact CA-O 3.13Å; M305-K336 PolarHBondContact N-O 3.1Å; K336-Y338 HydrophobicContact CB-CD2 4.39Å; K336-Y338 HydrophobicContact CB-CE1 4.13Å; K336-Y338 HydrophobicContact CB-CE2 3.88Å; K336-Y338 HydrophobicContact CD-CE2 4.23Å; K336-Y338 WeakPolarHBondContact CD-OH 3.39Å
337	I	97.6	Very high	96.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.3	177.7	-49.5	171.9	0	0	0	107.2	P307 F321 L335 I369 I372 L373 V382 R384 V385 Q386	P307-I337 HydrophobicContact CG-CG2 3.98Å; F321-I337 HydrophobicContact CZ-CG2 4.29Å; L335-I337 HydrophobicContact CD2-CD1 3.9Å; L335-I337 HydrophobicContact CD2-CG1 3.6Å; L335-I337 HydrophobicContact CG-CG1 3.73Å; I337-I369 HydrophobicContact CG2-CD1 3.69Å; I337-I372 HydrophobicContact CD1-CG2 3.8Å; I337-L373 HydrophobicContact CD1-CD2 4.37Å; I337-V382 HydrophobicContact CD1-CG1 4.31Å; I337-R384 PolarHBondContact N-O 2.8Å; I337-V385 CarbonylContact O-C 3.57Å; I337-V385 VanDerWaalsContact O-CA 3.27Å; I337-V385 WeakPolarHBondContact O-CA 3.18Å; I337-Q386 PolarHBondContact O-N 2.89Å
338	Y	96.2	Very high	96.4	Very high	10 Å²	10	23.2 Å²	23.2	4%	0.039	13%	0.131	C	C	.	.			trans	-126	87.6	-178	-66.1	-36	0	0	0	109.3	H304 M305 M306 K336 T340 R384 Q386 R387	H304-Y338 HydrophobicContact CB-CD2 4.28Å; H304-Y338 HydrophobicContact CB-CE2 4.35Å; H304-Y338 AromaticContact CG-CE2 3.95Å; H304-Y338 AromaticContact ND1-CE2 3.63Å; M305-Y338 PolarHBondContact O-N 2.93Å; M306-Y338 WeakPolarHBondContact CA-O 3.42Å; M306-Y338 WeakPolarHBondContact CB-O 3.34Å; M306-Y338 VanDerWaalsContact CG-O 3.3Å; M306-Y338 WeakPolarHBondContact CG-O 3.32Å; K336-Y338 HydrophobicContact CB-CD2 4.39Å; K336-Y338 HydrophobicContact CB-CE1 4.13Å; K336-Y338 HydrophobicContact CB-CE2 3.88Å; K336-Y338 HydrophobicContact CD-CE2 4.23Å; K336-Y338 WeakPolarHBondContact CD-OH 3.39Å; Y338-T340 PolarHBondContact O-N 2.92Å; Y338-R384 HydrophobicContact CE1-CB 4Å; Y338-Q386 WeakPolarHBondContact CE1-O 3.48Å; Y338-R387 HydrophobicContact CD1-CB 4.3Å; Y338-R387 HydrophobicContact CD1-CG 3.27Å; Y338-R387 HydrophobicContact CD2-CG 3.99Å; Y338-R387 VanDerWaalsContact CD2-NE 3.27Å; Y338-R387 HydrophobicContact CE1-CB 4.4Å; Y338-R387 HydrophobicContact CE1-CG 3.53Å; Y338-R387 HydrophobicContact CE2-CG 4.19Å; Y338-R387 HydrophobicContact CG-CG 3.5Å; Y338-R387 VanDerWaalsContact CG-CG 3.5Å
339	P	96.8	Very high	96.3	Very high	7 Å²	7	23.3 Å²	23.3	5%	0.045	13%	0.125	C	C	.	.			trans	-49.6	138.5	171.5	-25.8	34.9	0	0	0	111	P307 L341 L365 I369 V385 V398 I403	P307-P339 HydrophobicContact CG-CB 4.29Å; P307-P339 HydrophobicContact CG-CG 4.17Å; P339-L341 PolarHBondContact O-N 2.97Å; P339-L365 HydrophobicContact CB-CD1 3.99Å; P339-L365 HydrophobicContact CB-CD2 3.89Å; P339-L365 HydrophobicContact CG-CD1 4.17Å; P339-L365 HydrophobicContact CG-CD2 4.25Å; P339-I369 HydrophobicContact CG-CD1 4.27Å; P339-V385 WeakPolarHBondContact CD-O 3.41Å; P339-V398 HydrophobicContact CB-CG2 3.76Å; P339-V398 HydrophobicContact CG-CG2 4.16Å; P339-I403 HydrophobicContact CG-CD1 4.35Å
340	T	96.9	Very high	96.2	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.124	C	C	.	.			trans	-61.6	134.8	-176.3	-61.3	0	0	0	0	110.4	M306 P307 D308 Y338 I348	M306-T340 HydrophobicContact CE-CG2 4.44Å; P307-T340 PolarHBondContact O-N 2.87Å; P307-T340 VanDerWaalsContact O-N 3.1Å; P307-T340 PolarHBondContact O-OG1 3.48Å; D308-T340 VanDerWaalsContact O-CB 3.23Å; D308-T340 WeakPolarHBondContact O-CB 3.44Å; D308-T340 PolarHBondContact O-OG1 3.02Å; Y338-T340 PolarHBondContact O-N 2.92Å; T340-I348 HydrophobicContact CG2-CD1 3.39Å
341	L	95.9	Very high	96.2	Very high	16 Å²	16	25.5 Å²	25.5	8%	0.084	13%	0.134	C	C	.	.			trans	-119.2	134	178.4	-60.8	178.7	0	0	0	108.6	P339 I343 I389 V394 V398	P339-L341 PolarHBondContact O-N 2.97Å; L341-I343 HydrophobicContact CB-CD1 4.32Å; L341-I343 HydrophobicContact CB-CG1 4.28Å; L341-I389 HydrophobicContact CD1-CB 4.29Å; L341-I389 HydrophobicContact CD1-CD1 4.19Å; L341-V394 HydrophobicContact CB-CG1 4.33Å; L341-V394 HydrophobicContact CD1-CG2 4.06Å; L341-V394 HydrophobicContact CD2-CG1 3.99Å; L341-V398 HydrophobicContact CD2-CB 3.83Å; L341-V398 HydrophobicContact CD2-CG2 3.79Å
342	V	96.6	Very high	96.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	116	172.5	-176.5	0	0	0	0	108.2	Y349 W352 Y357 S395 S396	V342-Y349 HydrophobicContact CG1-CD2 3.89Å; V342-Y349 HydrophobicContact CG1-CG 4.43Å; V342-W352 HydrophobicContact CG1-CB 3.86Å; V342-W352 HydrophobicContact CG1-CD2 4.14Å; V342-W352 HydrophobicContact CG1-CE3 4.32Å; V342-W352 HydrophobicContact CG1-CG 3.95Å; V342-W352 HydrophobicContact CG2-CB 4.31Å; V342-W352 HydrophobicContact CG2-CG 4.29Å; V342-Y357 HydrophobicContact CG2-CD1 4.03Å; V342-Y357 HydrophobicContact CG2-CE1 3.56Å; V342-S395 PolarHBondContact O-N 2.85Å; V342-S396 PolarHBondContact N-O 3.49Å
343	I	95	Very high	96.1	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.7	-177.5	-61	170.9	0	0	0	108.4	P133 F140 L341 G345 T346 Y349 I389	P133-I343 HydrophobicContact CB-CB 4.31Å; P133-I343 HydrophobicContact CB-CD1 3.98Å; P133-I343 HydrophobicContact CB-CG2 3.99Å; P133-I343 HydrophobicContact CG-CD1 3.84Å; F140-I343 HydrophobicContact CE2-CG2 4.03Å; F140-I343 HydrophobicContact CZ-CG2 3.91Å; L341-I343 HydrophobicContact CB-CD1 4.32Å; L341-I343 HydrophobicContact CB-CG1 4.28Å; I343-G345 PolarHBondContact O-N 3.36Å; I343-T346 HydrophobicContact CB-CG2 4.21Å; I343-T346 WeakPolarHBondContact O-CB 3.33Å; I343-T346 WeakPolarHBondContact O-CG2 3.46Å; I343-T346 PolarHBondContact O-N 2.88Å; I343-T346 PolarHBondContact O-OG1 2.91Å; I343-Y349 WeakPolarHBondContact O-CB 3.46Å; I343-I389 HydrophobicContact CD1-CD1 3.5Å; I343-I389 HydrophobicContact CD1-CG2 4.15Å
344	R	93.1	Very high	96	Very high	161 Å²	161	40.2 Å²	40.2	61%	0.608	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	139	177.2	-177.5	178.4	168.6	175.9	-1.6	111.6	Y349	R344-Y349 HydrophobicContact CB-CD2 4.41Å; R344-Y349 HydrophobicContact CB-CE2 4.26Å
345	G	90.9	Very high	95.8	Very high	50 Å²	50	42.3 Å²	42.3	52%	0.515	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	7.3	179.4	0	0	0	0	0	114.6	I343	I343-G345 PolarHBondContact O-N 3.36Å
346	T	94.8	Very high	95.7	Very high	6 Å²	6	47.3 Å²	47.3	4%	0.037	25%	0.251	C	S	.	.	S	Bend	trans	-101	156.8	174	63.3	0	0	0	0	111.2	P133 I343 I348 Y349	P133-T346 HydrophobicContact CB-CG2 3.98Å; I343-T346 HydrophobicContact CB-CG2 4.21Å; I343-T346 WeakPolarHBondContact O-CB 3.33Å; I343-T346 WeakPolarHBondContact O-CG2 3.46Å; I343-T346 PolarHBondContact O-N 2.88Å; I343-T346 PolarHBondContact O-OG1 2.91Å; T346-I348 VanDerWaalsContact C-N 3.26Å; T346-I348 PolarHBondContact O-N 3.2Å; T346-I348 WeakPolarHBondContact OG1-CG2 3.3Å; T346-Y349 VanDerWaalsContact O-CB 3.29Å; T346-Y349 WeakPolarHBondContact O-CB 3.33Å; T346-Y349 PolarHBondContact O-N 2.77Å; T346-Y349 VanDerWaalsContact O-N 3.11Å; T346-Y349 PolarHBondContact OG1-N 2.74Å
347	G	93.6	Very high	95.6	Very high	37 Å²	37	47.4 Å²	47.4	38%	0.381	25%	0.251	S	S	.	.	H	α-helix	trans	-61.6	-34.1	175.5	0	0	0	0	0	112.9	M130 Y349 E350 L351	M130-G347 CarbonylContact O-C 3.43Å; M130-G347 WeakPolarHBondContact O-CA 3.34Å; M130-G347 PolarHBondContact O-N 2.82Å; G347-Y349 VanDerWaalsContact C-N 3.26Å; G347-Y349 PolarHBondContact O-N 2.61Å; G347-E350 PolarHBondContact O-N 2.7Å; G347-L351 PolarHBondContact O-N 2.88Å
348	I	96	Very high	95.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-68.5	-26.3	176.6	-161.5	172	0	0	0	112.6	M130 P310 T340 T346 E350 L351 W352 Y357	M130-I348 HydrophobicContact CG-CB 4.3Å; M130-I348 PolarHBondContact O-N 3.06Å; P310-I348 HydrophobicContact CG-CD1 3.72Å; P310-I348 HydrophobicContact CG-CG1 4.09Å; T340-I348 HydrophobicContact CG2-CD1 3.39Å; T346-I348 VanDerWaalsContact C-N 3.26Å; T346-I348 PolarHBondContact O-N 3.2Å; T346-I348 WeakPolarHBondContact OG1-CG2 3.3Å; I348-E350 VanDerWaalsContact C-N 3.33Å; I348-L351 PolarHBondContact O-N 3.45Å; I348-W352 WeakPolarHBondContact O-CB 3.32Å; I348-W352 PolarHBondContact O-N 2.73Å; I348-Y357 HydrophobicContact CD1-CD1 3.88Å; I348-Y357 HydrophobicContact CD1-CD2 4.32Å; I348-Y357 HydrophobicContact CD1-CE1 3.58Å; I348-Y357 HydrophobicContact CD1-CE2 4.05Å; I348-Y357 HydrophobicContact CD1-CG 4.24Å; I348-Y357 HydrophobicContact CG1-CD1 3.7Å; I348-Y357 HydrophobicContact CG1-CE1 3.9Å; I348-Y357 HydrophobicContact CG1-CG 4.04Å
349	Y	96.4	Very high	95.5	Very high	51 Å²	51	55.6 Å²	55.6	20%	0.2	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-38.1	172.9	179.4	-90.3	0	0	0	112.1	V342 I343 R344 T346 G347 W352 K353	V342-Y349 HydrophobicContact CG1-CD2 3.89Å; V342-Y349 HydrophobicContact CG1-CG 4.43Å; I343-Y349 WeakPolarHBondContact O-CB 3.46Å; R344-Y349 HydrophobicContact CB-CD2 4.41Å; R344-Y349 HydrophobicContact CB-CE2 4.26Å; T346-Y349 VanDerWaalsContact O-CB 3.29Å; T346-Y349 WeakPolarHBondContact O-CB 3.33Å; T346-Y349 PolarHBondContact O-N 2.77Å; T346-Y349 VanDerWaalsContact O-N 3.11Å; T346-Y349 PolarHBondContact OG1-N 2.74Å; G347-Y349 VanDerWaalsContact C-N 3.26Å; G347-Y349 PolarHBondContact O-N 2.61Å; Y349-W352 HydrophobicContact CD2-CE3 4.4Å; Y349-W352 HydrophobicContact CE2-CE3 4.31Å; Y349-W352 HydrophobicContact CE2-CZ3 4.23Å; Y349-W352 PolarHBondContact O-N 3.47Å; Y349-K353 HydrophobicContact CE1-CD 4.45Å; Y349-K353 VanDerWaalsContact O-CB 3.32Å; Y349-K353 WeakPolarHBondContact O-CB 3.36Å; Y349-K353 PolarHBondContact O-N 3.26Å
350	E	95.5	Very high	95.5	Very high	86 Å²	86	56.8 Å²	56.8	40%	0.402	29%	0.293	S	S	.	.	H	α-helix	trans	-68.5	-40.4	175.1	-63.3	-53.8	138.3	0	0	111.9	G347 I348 W352 K353 Q354	G347-E350 PolarHBondContact O-N 2.7Å; I348-E350 VanDerWaalsContact C-N 3.33Å; E350-W352 VanDerWaalsContact C-N 3.32Å; E350-W352 PolarHBondContact O-N 2.92Å; E350-K353 PolarHBondContact O-N 3.4Å; E350-Q354 WeakPolarHBondContact O-CB 3.38Å; E350-Q354 VanDerWaalsContact O-CG 3.24Å; E350-Q354 WeakPolarHBondContact O-CG 3.04Å; E350-Q354 PolarHBondContact O-N 3.01Å
351	L	96.1	Very high	95.4	Very high	40 Å²	40	60.3 Å²	60.3	21%	0.209	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-40.4	173.9	-64.3	-176.4	0	0	0	112.4	M130 P310 G347 I348 Q354 G355 V356 Y357	M130-L351 HydrophobicContact CE-CD1 4.07Å; M130-L351 HydrophobicContact SD-CD1 3.43Å; M130-L351 WeakPolarHBondContact SD-CD1 3.43Å; M130-L351 HydrophobicContact SD-CG 4.45Å; P310-L351 HydrophobicContact CG-CD1 4.48Å; G347-L351 PolarHBondContact O-N 2.88Å; I348-L351 PolarHBondContact O-N 3.45Å; L351-Q354 PolarHBondContact O-N 2.94Å; L351-G355 PolarHBondContact O-N 2.87Å; L351-V356 HydrophobicContact CD2-CB 4.47Å; L351-V356 HydrophobicContact CD2-CG1 4.4Å; L351-V356 PolarHBondContact O-N 3.03Å; L351-Y357 PolarHBondContact O-N 2.85Å
352	W	97.2	Very high	95.3	Very high	94 Å²	94	60.6 Å²	60.6	36%	0.356	32%	0.32	S	S	.	.	H	α-helix	trans	-64.8	-45.8	175.9	178	77.6	0	0	0	111.5	V342 I348 Y349 E350 Q354 G355 Y357	V342-W352 HydrophobicContact CG1-CB 3.86Å; V342-W352 HydrophobicContact CG1-CD2 4.14Å; V342-W352 HydrophobicContact CG1-CE3 4.32Å; V342-W352 HydrophobicContact CG1-CG 3.95Å; V342-W352 HydrophobicContact CG2-CB 4.31Å; V342-W352 HydrophobicContact CG2-CG 4.29Å; I348-W352 WeakPolarHBondContact O-CB 3.32Å; I348-W352 PolarHBondContact O-N 2.73Å; Y349-W352 HydrophobicContact CD2-CE3 4.4Å; Y349-W352 HydrophobicContact CE2-CE3 4.31Å; Y349-W352 HydrophobicContact CE2-CZ3 4.23Å; Y349-W352 PolarHBondContact O-N 3.47Å; E350-W352 VanDerWaalsContact C-N 3.32Å; E350-W352 PolarHBondContact O-N 2.92Å; W352-Q354 VanDerWaalsContact C-N 3.26Å; W352-Q354 PolarHBondContact O-N 2.83Å; W352-G355 PolarHBondContact O-N 3.1Å; W352-Y357 HydrophobicContact CB-CD1 4.29Å
353	K	96.4	Very high	95.2	Very high	140 Å²	140	66.1 Å²	66.1	61%	0.609	35%	0.35	S	S	*	.	H	α-helix	trans	-61.8	-33.6	177.8	-173.9	-179.3	175.7	-170	0	112.6	Y349 E350 G355	Y349-K353 HydrophobicContact CE1-CD 4.45Å; Y349-K353 VanDerWaalsContact O-CB 3.32Å; Y349-K353 WeakPolarHBondContact O-CB 3.36Å; Y349-K353 PolarHBondContact O-N 3.26Å; E350-K353 PolarHBondContact O-N 3.4Å; K353-G355 VanDerWaalsContact C-N 3.28Å
354	Q	96.4	Very high	95.3	Very high	130 Å²	130	68 Å²	68	61%	0.607	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-7	175.1	-67.8	170.5	10.5	0	0	113.4	E350 L351 W352 V356	E350-Q354 WeakPolarHBondContact O-CB 3.38Å; E350-Q354 VanDerWaalsContact O-CG 3.24Å; E350-Q354 WeakPolarHBondContact O-CG 3.04Å; E350-Q354 PolarHBondContact O-N 3.01Å; L351-Q354 PolarHBondContact O-N 2.94Å; W352-Q354 VanDerWaalsContact C-N 3.26Å; W352-Q354 PolarHBondContact O-N 2.83Å; Q354-V356 VanDerWaalsContact C-N 3.26Å; Q354-V356 HydrophobicContact CB-CG2 4Å; Q354-V356 PolarHBondContact O-N 2.94Å
355	G	95.2	Very high	95.4	Very high	45 Å²	45	60.5 Å²	60.5	46%	0.464	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	8	-177.2	0	0	0	0	0	114.8	L351 W352 K353	L351-G355 PolarHBondContact O-N 2.87Å; W352-G355 PolarHBondContact O-N 3.1Å; K353-G355 VanDerWaalsContact C-N 3.28Å
356	V	94.6	Very high	95.7	Very high	105 Å²	105	59.2 Å²	59.2	64%	0.636	32%	0.315	S	S	*	.	S	Bend	trans	-76.9	-33.1	179	179.8	0	0	0	0	111.2	L351 Q354	L351-V356 HydrophobicContact CD2-CB 4.47Å; L351-V356 HydrophobicContact CD2-CG1 4.4Å; L351-V356 PolarHBondContact O-N 3.03Å; Q354-V356 VanDerWaalsContact C-N 3.26Å; Q354-V356 HydrophobicContact CB-CG2 4Å; Q354-V356 PolarHBondContact O-N 2.94Å
357	Y	96.3	Very high	95.8	Very high	13 Å²	13	60.2 Å²	60.2	5%	0.051	32%	0.321	C	S	.	.			trans	-114.1	135.4	175	173.8	-100.2	0	0	0	111	D308 P310 V342 I348 L351 W352 S359	D308-Y357 WeakPolarHBondContact O-CE2 3.49Å; D308-Y357 PolarHBondContact O-OH 2.81Å; D308-Y357 PolarHBondContact OD2-OH 3.01Å; P310-Y357 HydrophobicContact CB-CD2 4.33Å; P310-Y357 HydrophobicContact CG-CD2 4.1Å; P310-Y357 HydrophobicContact CG-CE2 4.33Å; V342-Y357 HydrophobicContact CG2-CD1 4.03Å; V342-Y357 HydrophobicContact CG2-CE1 3.56Å; I348-Y357 HydrophobicContact CD1-CD1 3.88Å; I348-Y357 HydrophobicContact CD1-CD2 4.32Å; I348-Y357 HydrophobicContact CD1-CE1 3.58Å; I348-Y357 HydrophobicContact CD1-CE2 4.05Å; I348-Y357 HydrophobicContact CD1-CG 4.24Å; I348-Y357 HydrophobicContact CG1-CD1 3.7Å; I348-Y357 HydrophobicContact CG1-CE1 3.9Å; I348-Y357 HydrophobicContact CG1-CG 4.04Å; L351-Y357 PolarHBondContact O-N 2.85Å; W352-Y357 HydrophobicContact CB-CD1 4.29Å; Y357-S359 WeakPolarHBondContact CE1-OG 3.27Å; Y357-S359 PolarHBondContact OH-OG 3.44Å
358	K	95.8	Very high	95.9	Very high	164 Å²	164	58.5 Å²	58.5	71%	0.713	30%	0.303	S	S	*	.			trans	-132.9	123.8	173.6	-64.4	-178.9	-177.4	178.1	0	108
359	S	96.5	Very high	96	Very high	18 Å²	18	58.5 Å²	58.5	13%	0.126	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-65.2	157.6	174.4	-56.7	0	0	0	0	111.2	D308 Y357 S396	D308-S359 WeakPolarHBondContact OD2-CA 3.43Å; D308-S359 WeakPolarHBondContact OD2-CB 3.39Å; Y357-S359 WeakPolarHBondContact CE1-OG 3.27Å; Y357-S359 PolarHBondContact OH-OG 3.44Å; S359-S396 WeakPolarHBondContact CB-OG 3.46Å; S359-S396 PolarHBondContact OG-OG 3.48Å
360	Y	96.5	Very high	96	Very high	31 Å²	31	56.1 Å²	56.1	12%	0.122	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-62.4	144.4	171.4	-63.4	-29.4	0	0	0	112.2	D308 V312 L314 D317 L365 L368	D308-Y360 HydrophobicContact CB-CD2 3.67Å; D308-Y360 HydrophobicContact CB-CE2 3.66Å; D308-Y360 HydrophobicContact CB-CG 4.3Å; D308-Y360 WeakPolarHBondContact OD1-CD1 3.34Å; D308-Y360 PolarHBondContact OD1-N 2.82Å; D308-Y360 PolarHBondContact OD2-N 2.99Å; V312-Y360 PolarHBondContact O-OH 3.17Å; V312-Y360 VanDerWaalsContact O-OH 3.09Å; L314-Y360 WeakPolarHBondContact CA-OH 3.4Å; L314-Y360 HydrophobicContact CD1-CE2 4.38Å; L314-Y360 PolarHBondContact N-OH 3.11Å; D317-Y360 VanDerWaalsContact OD2-CE2 3.25Å; D317-Y360 WeakPolarHBondContact OD2-CE2 3.44Å; D317-Y360 PolarHBondContact OD2-OH 2.96Å; Y360-L365 HydrophobicContact CD2-CD1 4.32Å; Y360-L368 HydrophobicContact CD2-CD2 4.04Å; Y360-L368 HydrophobicContact CE2-CD2 3.65Å
361	P	95.3	Very high	96.1	Very high	75 Å²	75	58.1 Å²	58.1	49%	0.487	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-55.2	148.1	163.2	-25.5	36.2	0	0	0	111.7	D363 V364 L365	P361-D363 VanDerWaalsContact C-N 3.31Å; P361-D363 WeakPolarHBondContact CB-OD1 3.49Å; P361-D363 PolarHBondContact O-N 2.8Å; P361-V364 HydrophobicContact CB-CB 4.4Å; P361-V364 HydrophobicContact CB-CG2 4.11Å; P361-V364 HydrophobicContact CG-CG2 4.22Å; P361-V364 PolarHBondContact O-N 3.42Å; P361-L365 PolarHBondContact O-N 2.98Å
362	A	93.6	Very high	96.2	Very high	22 Å²	22	56.2 Å²	56.2	18%	0.182	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-38	-173.2	0	0	0	0	0	113.5	L365 V366 E399	A362-L365 PolarHBondContact O-N 2.68Å; A362-V366 VanDerWaalsContact O-CG2 3.29Å; A362-V366 WeakPolarHBondContact O-CG2 3.35Å; A362-V366 PolarHBondContact O-N 3.28Å; A362-E399 HydrophobicContact CB-CB 4.47Å; A362-E399 HydrophobicContact CB-CG 4.31Å
363	D	94.3	Very high	96.2	Very high	116 Å²	116	51.8 Å²	51.8	62%	0.62	27%	0.271	S	S	*	.	H	α-helix	trans	-66.1	-45	176.6	62.3	-40.3	0	0	0	112	P361 L365 V366 D367	P361-D363 VanDerWaalsContact C-N 3.31Å; P361-D363 WeakPolarHBondContact CB-OD1 3.49Å; P361-D363 PolarHBondContact O-N 2.8Å; D363-L365 VanDerWaalsContact C-N 3.32Å; D363-L365 PolarHBondContact O-N 3.43Å; D363-V366 PolarHBondContact O-N 3.47Å; D363-D367 PolarHBondContact O-N 3.06Å
364	V	96.5	Very high	96.2	Very high	44 Å²	44	47.1 Å²	47.1	27%	0.267	26%	0.258	S	S	.	.	H	α-helix	trans	-61.5	-42.5	175.2	177.2	0	0	0	0	110.7	L314 P361 D367 L368	L314-V364 HydrophobicContact CD1-CG1 4.12Å; L314-V364 HydrophobicContact CD2-CG1 4.03Å; P361-V364 HydrophobicContact CB-CB 4.4Å; P361-V364 HydrophobicContact CB-CG2 4.11Å; P361-V364 HydrophobicContact CG-CG2 4.22Å; P361-V364 PolarHBondContact O-N 3.42Å; V364-D367 WeakPolarHBondContact O-CB 3.24Å; V364-D367 PolarHBondContact O-N 3.43Å; V364-L368 WeakPolarHBondContact O-CB 3.27Å; V364-L368 PolarHBondContact O-N 2.89Å
365	L	96.3	Very high	96.2	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-42.1	177.6	-178.6	62.7	0	0	0	111.8	P339 Y360 P361 A362 D363 D367 L368 I369 V398 I403	P339-L365 HydrophobicContact CB-CD1 3.99Å; P339-L365 HydrophobicContact CB-CD2 3.89Å; P339-L365 HydrophobicContact CG-CD1 4.17Å; P339-L365 HydrophobicContact CG-CD2 4.25Å; Y360-L365 HydrophobicContact CD2-CD1 4.32Å; P361-L365 PolarHBondContact O-N 2.98Å; A362-L365 PolarHBondContact O-N 2.68Å; D363-L365 VanDerWaalsContact C-N 3.32Å; D363-L365 PolarHBondContact O-N 3.43Å; L365-D367 VanDerWaalsContact C-N 3.33Å; L365-D367 PolarHBondContact O-N 3.36Å; L365-L368 HydrophobicContact CD1-CD2 4.42Å; L365-L368 PolarHBondContact O-N 3.22Å; L365-I369 HydrophobicContact CD1-CG1 4.27Å; L365-I369 HydrophobicContact CG-CG1 4.5Å; L365-I369 VanDerWaalsContact O-CG1 3.29Å; L365-I369 WeakPolarHBondContact O-CG1 3.47Å; L365-I369 PolarHBondContact O-N 2.65Å; L365-V398 HydrophobicContact CD2-CG2 3.7Å; L365-I403 HydrophobicContact CD2-CD1 3.89Å; L365-I403 HydrophobicContact CG-CD1 4.04Å
366	V	96.2	Very high	96.3	Very high	22 Å²	22	42.2 Å²	42.2	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-41.6	175.3	169	0	0	0	0	111	A362 D363 I369 A370 I403 L406 R410	A362-V366 VanDerWaalsContact O-CG2 3.29Å; A362-V366 WeakPolarHBondContact O-CG2 3.35Å; A362-V366 PolarHBondContact O-N 3.28Å; D363-V366 PolarHBondContact O-N 3.47Å; V366-I369 PolarHBondContact O-N 2.59Å; V366-A370 WeakPolarHBondContact O-CB 3.04Å; V366-A370 PolarHBondContact O-N 2.93Å; V366-I403 HydrophobicContact CG2-CG1 4.25Å; V366-L406 HydrophobicContact CG1-CB 4.03Å; V366-L406 HydrophobicContact CG2-CB 4Å; V366-L406 HydrophobicContact CG2-CD1 4.27Å; V366-R410 HydrophobicContact CG1-CB 3.97Å; V366-R410 HydrophobicContact CG1-CG 4.3Å
367	D	96.7	Very high	96.5	Very high	28 Å²	28	37.9 Å²	37.9	15%	0.15	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-47.3	175.7	-152.8	76.2	0	0	0	111.5	D363 V364 L365 A370 R371 R410 F414	D363-D367 PolarHBondContact O-N 3.06Å; V364-D367 WeakPolarHBondContact O-CB 3.24Å; V364-D367 PolarHBondContact O-N 3.43Å; L365-D367 VanDerWaalsContact C-N 3.33Å; L365-D367 PolarHBondContact O-N 3.36Å; D367-A370 PolarHBondContact O-N 3.49Å; D367-R371 WeakPolarHBondContact O-CG 3.41Å; D367-R371 PolarHBondContact O-N 3.29Å; D367-R371 IonicContact OD2-CZ 3.25Å; D367-R371 IonicContact OD2-NE 3.75Å; D367-R371 PolarHBondContact OD2-NE 3.36Å; D367-R371 IonicContact OD2-NH2 3.25Å; D367-R371 PolarHBondContact OD2-NH2 3.49Å; D367-R410 IonicContact OD1-CZ 3.88Å; D367-R410 IonicContact OD1-NE 2.79Å; D367-R410 PolarHBondContact OD1-NE 3.46Å; D367-R410 IonicContact OD1-NH2 2.9Å; D367-R410 PolarHBondContact OD1-NH2 2.87Å; D367-F414 WeakPolarHBondContact OD1-CZ 3.08Å
368	L	97.1	Very high	96.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-57.4	-52.1	176.3	173.7	57.6	0	0	0	111.4	P307 L314 D317 I318 Y360 V364 L365 A370 R371 I372	P307-L368 HydrophobicContact CB-CD2 3.94Å; L314-L368 HydrophobicContact CD1-CB 3.92Å; L314-L368 HydrophobicContact CD1-CD1 3.93Å; L314-L368 HydrophobicContact CD1-CD2 3.93Å; L314-L368 HydrophobicContact CD1-CG 4.12Å; D317-L368 HydrophobicContact CB-CD1 4.14Å; D317-L368 HydrophobicContact CB-CD2 4.05Å; I318-L368 HydrophobicContact CD1-CD1 3.34Å; I318-L368 HydrophobicContact CG1-CD1 3.78Å; Y360-L368 HydrophobicContact CD2-CD2 4.04Å; Y360-L368 HydrophobicContact CE2-CD2 3.65Å; V364-L368 WeakPolarHBondContact O-CB 3.27Å; V364-L368 PolarHBondContact O-N 2.89Å; L365-L368 HydrophobicContact CD1-CD2 4.42Å; L365-L368 PolarHBondContact O-N 3.22Å; L368-A370 VanDerWaalsContact C-N 3.32Å; L368-A370 PolarHBondContact O-N 3.38Å; L368-R371 PolarHBondContact O-N 2.92Å; L368-I372 HydrophobicContact CD1-CD1 3.77Å; L368-I372 HydrophobicContact CD1-CG1 4.17Å; L368-I372 HydrophobicContact CG-CD1 3.77Å; L368-I372 VanDerWaalsContact O-CG1 3.3Å; L368-I372 WeakPolarHBondContact O-CG1 3.5Å; L368-I372 PolarHBondContact O-N 3.3Å
369	I	97.2	Very high	96.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-40.6	179.3	-66.9	-53.8	0	0	0	111.2	P307 I337 P339 L365 V366 R371 I372 L373 V385 I403 A407	P307-I369 HydrophobicContact CG-CD1 4.16Å; I337-I369 HydrophobicContact CG2-CD1 3.69Å; P339-I369 HydrophobicContact CG-CD1 4.27Å; L365-I369 HydrophobicContact CD1-CG1 4.27Å; L365-I369 HydrophobicContact CG-CG1 4.5Å; L365-I369 VanDerWaalsContact O-CG1 3.29Å; L365-I369 WeakPolarHBondContact O-CG1 3.47Å; L365-I369 PolarHBondContact O-N 2.65Å; V366-I369 PolarHBondContact O-N 2.59Å; I369-R371 VanDerWaalsContact C-N 3.33Å; I369-R371 PolarHBondContact O-N 3.29Å; I369-I372 HydrophobicContact CD1-CD1 4.08Å; I369-I372 PolarHBondContact O-N 3.22Å; I369-L373 HydrophobicContact CG2-CD1 4.06Å; I369-L373 HydrophobicContact CG2-CG 4.25Å; I369-L373 WeakPolarHBondContact O-CB 3.45Å; I369-L373 VanDerWaalsContact O-CG 3.3Å; I369-L373 WeakPolarHBondContact O-CG 3.28Å; I369-L373 PolarHBondContact O-N 3.11Å; I369-V385 HydrophobicContact CD1-CG1 4.48Å; I369-V385 HydrophobicContact CG1-CG1 4.44Å; I369-V385 HydrophobicContact CG2-CG1 3.34Å; I369-I403 HydrophobicContact CG1-CD1 4.23Å; I369-A407 HydrophobicContact CB-CB 4.19Å; I369-A407 HydrophobicContact CG2-CB 3.55Å
370	A	97.1	Very high	96.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.3	-42.6	176.6	0	0	0	0	0	111.9	V366 D367 L368 L373 A374 A407 R410 M411 F414	V366-A370 WeakPolarHBondContact O-CB 3.04Å; V366-A370 PolarHBondContact O-N 2.93Å; D367-A370 PolarHBondContact O-N 3.49Å; L368-A370 VanDerWaalsContact C-N 3.32Å; L368-A370 PolarHBondContact O-N 3.38Å; A370-L373 PolarHBondContact O-N 3.06Å; A370-A374 PolarHBondContact O-N 2.89Å; A370-A374 VanDerWaalsContact O-N 3.15Å; A370-A407 HydrophobicContact CB-CB 4.43Å; A370-R410 HydrophobicContact CB-CB 4.01Å; A370-R410 HydrophobicContact CB-CG 3.88Å; A370-M411 HydrophobicContact CB-CG 3.73Å; A370-F414 HydrophobicContact CB-CD2 4.48Å; A370-F414 HydrophobicContact CB-CE2 3.94Å
371	R	97.1	Very high	96.8	Very high	128 Å²	128	31.3 Å²	31.3	48%	0.483	17%	0.17	S	C	.	.	H	α-helix	trans	-64.3	-44.5	174.2	-67.3	173	-169.4	-126.1	3	112	I318 D367 L368 I369 L373 A374 L375 F414	I318-R371 HydrophobicContact CD1-CB 3.84Å; D367-R371 WeakPolarHBondContact O-CG 3.41Å; D367-R371 PolarHBondContact O-N 3.29Å; D367-R371 IonicContact OD2-CZ 3.25Å; D367-R371 IonicContact OD2-NE 3.75Å; D367-R371 PolarHBondContact OD2-NE 3.36Å; D367-R371 IonicContact OD2-NH2 3.25Å; D367-R371 PolarHBondContact OD2-NH2 3.49Å; L368-R371 PolarHBondContact O-N 2.92Å; I369-R371 VanDerWaalsContact C-N 3.33Å; I369-R371 PolarHBondContact O-N 3.29Å; R371-L373 VanDerWaalsContact C-N 3.33Å; R371-L373 PolarHBondContact O-N 3.07Å; R371-A374 WeakPolarHBondContact O-CB 3.34Å; R371-A374 PolarHBondContact O-N 3.22Å; R371-A374 VanDerWaalsContact O-N 3.13Å; R371-L375 PolarHBondContact O-N 2.86Å; R371-F414 HydrophobicContact CG-CE2 4.17Å
372	I	97.4	Very high	96.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-45.1	176.6	-66.1	160.4	0	0	0	110.7	F321 I337 L368 I369 A374 L375 V376	F321-I372 HydrophobicContact CB-CG1 4.16Å; F321-I372 HydrophobicContact CB-CG2 4.21Å; F321-I372 HydrophobicContact CD1-CG2 3.69Å; F321-I372 HydrophobicContact CD2-CB 4.46Å; F321-I372 HydrophobicContact CD2-CD1 3.33Å; F321-I372 HydrophobicContact CD2-CG1 3.48Å; F321-I372 VanDerWaalsContact CD2-CG1 3.48Å; F321-I372 HydrophobicContact CD2-CG2 4.11Å; F321-I372 HydrophobicContact CE1-CG2 4.05Å; F321-I372 HydrophobicContact CE2-CD1 3.32Å; F321-I372 HydrophobicContact CE2-CG1 4.01Å; F321-I372 HydrophobicContact CE2-CG2 4.46Å; F321-I372 HydrophobicContact CG-CB 4.42Å; F321-I372 HydrophobicContact CG-CD1 4.09Å; F321-I372 HydrophobicContact CG-CG1 3.82Å; F321-I372 HydrophobicContact CG-CG2 3.73Å; F321-I372 HydrophobicContact CZ-CD1 4.05Å; F321-I372 HydrophobicContact CZ-CG2 4.42Å; I337-I372 HydrophobicContact CD1-CG2 3.8Å; L368-I372 HydrophobicContact CD1-CD1 3.77Å; L368-I372 HydrophobicContact CD1-CG1 4.17Å; L368-I372 HydrophobicContact CG-CD1 3.77Å; L368-I372 VanDerWaalsContact O-CG1 3.3Å; L368-I372 WeakPolarHBondContact O-CG1 3.5Å; L368-I372 PolarHBondContact O-N 3.3Å; I369-I372 HydrophobicContact CD1-CD1 4.08Å; I369-I372 PolarHBondContact O-N 3.22Å; I372-A374 PolarHBondContact O-N 3.06Å; I372-L375 WeakPolarHBondContact O-CB 3.41Å; I372-L375 PolarHBondContact O-N 3.23Å; I372-L375 VanDerWaalsContact O-N 3.08Å; I372-V376 WeakPolarHBondContact O-CG2 3.02Å; I372-V376 PolarHBondContact O-N 3.13Å
373	L	97.6	Very high	96.9	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-64.7	-24.6	178.6	-71.7	179.2	0	0	0	113.4	I337 I369 A370 R371 V376 V382 A407 L408 M411	I337-L373 HydrophobicContact CD1-CD2 4.37Å; I369-L373 HydrophobicContact CG2-CD1 4.06Å; I369-L373 HydrophobicContact CG2-CG 4.25Å; I369-L373 WeakPolarHBondContact O-CB 3.45Å; I369-L373 VanDerWaalsContact O-CG 3.3Å; I369-L373 WeakPolarHBondContact O-CG 3.28Å; I369-L373 PolarHBondContact O-N 3.11Å; A370-L373 PolarHBondContact O-N 3.06Å; R371-L373 VanDerWaalsContact C-N 3.33Å; R371-L373 PolarHBondContact O-N 3.07Å; L373-V376 HydrophobicContact CD2-CG2 4.48Å; L373-V382 HydrophobicContact CD2-CG1 4.27Å; L373-V382 HydrophobicContact CD2-CG2 4.06Å; L373-A407 HydrophobicContact CD1-CB 3.99Å; L373-L408 HydrophobicContact CD1-CD2 4.48Å; L373-M411 HydrophobicContact CB-CE 4.2Å; L373-M411 HydrophobicContact CB-SD 3.63Å; L373-M411 HydrophobicContact CD1-SD 4.31Å
374	A	96.8	Very high	96.8	Very high	41 Å²	41	27.8 Å²	27.8	34%	0.339	13%	0.134	S	C	.	.	H	α-helix	trans	-73	-28.3	173.4	0	0	0	0	0	112.6	A370 R371 I372 M411 T416	A370-A374 PolarHBondContact O-N 2.89Å; A370-A374 VanDerWaalsContact O-N 3.15Å; R371-A374 WeakPolarHBondContact O-CB 3.34Å; R371-A374 PolarHBondContact O-N 3.22Å; R371-A374 VanDerWaalsContact O-N 3.13Å; I372-A374 PolarHBondContact O-N 3.06Å; A374-M411 HydrophobicContact CB-CE 3.87Å; A374-T416 HydrophobicContact CB-CG2 4.47Å
375	L	96.7	Very high	96.6	Very high	68 Å²	68	26 Å²	26	36%	0.356	12%	0.122	S	C	.	.	H	α-helix	trans	-81.6	-16.4	179.4	-61.9	172.4	0	0	0	113.4	I322 F325 R371 I372 P377	I322-L375 HydrophobicContact CG1-CD1 3.66Å; F325-L375 HydrophobicContact CD2-CB 3.98Å; F325-L375 HydrophobicContact CE2-CB 4.13Å; R371-L375 PolarHBondContact O-N 2.86Å; I372-L375 WeakPolarHBondContact O-CB 3.41Å; I372-L375 PolarHBondContact O-N 3.23Å; I372-L375 VanDerWaalsContact O-N 3.08Å; L375-P377 WeakPolarHBondContact O-CD 3.28Å
376	V	97.7	Very high	96.4	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.03	13%	0.131	C	C	.	.			trans	-63.1	121.9	-172.8	-179.6	0	0	0	0	110.7	F325 I372 L373 T380 V382 D420	F325-V376 HydrophobicContact CE2-CG2 4.28Å; F325-V376 HydrophobicContact CZ-CB 4.46Å; F325-V376 HydrophobicContact CZ-CG2 3.85Å; I372-V376 WeakPolarHBondContact O-CG2 3.02Å; I372-V376 PolarHBondContact O-N 3.13Å; L373-V376 HydrophobicContact CD2-CG2 4.48Å; V376-T380 HydrophobicContact CG1-CG2 4.1Å; V376-V382 HydrophobicContact CG1-CG2 4.04Å; V376-V382 HydrophobicContact CG2-CG2 3.85Å; V376-D420 HydrophobicContact CB-CB 4.27Å; V376-D420 HydrophobicContact CG1-CB 3.6Å
377	P	97.5	Very high	96	Very high	13 Å²	13	29 Å²	29	8%	0.084	13%	0.133	C	C	.	.			trans	-74.1	155.9	-178	29.7	-35.3	0	0	0	112.2	F325 L375 W379 T380	F325-P377 VanDerWaalsContact CD1-CD 3.47Å; F325-P377 HydrophobicContact CD1-CG 4.1Å; L375-P377 WeakPolarHBondContact O-CD 3.28Å; P377-W379 HydrophobicContact CB-CD2 3.75Å; P377-W379 VanDerWaalsContact CB-CE2 3.42Å; P377-W379 HydrophobicContact CB-CE3 3.95Å; P377-W379 HydrophobicContact CB-CG 4.5Å; P377-W379 HydrophobicContact CB-CH2 3.56Å; P377-W379 HydrophobicContact CB-CZ2 3.33Å; P377-W379 HydrophobicContact CB-CZ3 3.86Å; P377-W379 HydrophobicContact CG-CD2 4.13Å; P377-W379 VanDerWaalsContact CG-CE2 3.5Å; P377-W379 HydrophobicContact CG-CH2 4.38Å; P377-W379 HydrophobicContact CG-CZ2 3.65Å; P377-W379 PolarHBondContact O-N 3.42Å; P377-T380 WeakPolarHBondContact CG-OG1 3.33Å; P377-T380 PolarHBondContact O-N 3.27Å
378	P	97.2	Very high	95.5	Very high	22 Å²	22	31 Å²	31	14%	0.143	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-21.8	-178.3	-32.6	39.3	0	0	0	117	R419 V421	P378-R419 WeakPolarHBondContact CA-O 3.47Å; P378-V421 VanDerWaalsContact O-CG2 3.26Å; P378-V421 WeakPolarHBondContact O-CG2 3.37Å
379	W	97.7	Very high	95.1	Very high	42 Å²	42	31.5 Å²	31.5	16%	0.159	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-6.4	179.2	58.3	81.4	0	0	0	113.3	P377 Y447 F456 R472	P377-W379 HydrophobicContact CB-CD2 3.75Å; P377-W379 VanDerWaalsContact CB-CE2 3.42Å; P377-W379 HydrophobicContact CB-CE3 3.95Å; P377-W379 HydrophobicContact CB-CG 4.5Å; P377-W379 HydrophobicContact CB-CH2 3.56Å; P377-W379 HydrophobicContact CB-CZ2 3.33Å; P377-W379 HydrophobicContact CB-CZ3 3.86Å; P377-W379 HydrophobicContact CG-CD2 4.13Å; P377-W379 VanDerWaalsContact CG-CE2 3.5Å; P377-W379 HydrophobicContact CG-CH2 4.38Å; P377-W379 HydrophobicContact CG-CZ2 3.65Å; P377-W379 PolarHBondContact O-N 3.42Å; W379-Y447 HydrophobicContact CB-CE1 4.03Å; W379-Y447 AromaticContact CD1-CE1 3.84Å; W379-Y447 AromaticContact CD1-CZ 3.63Å; W379-Y447 AromaticContact CD2-CD1 3.9Å; W379-Y447 HydrophobicContact CD2-CD1 3.9Å; W379-Y447 AromaticContact CD2-CE1 3.79Å; W379-Y447 HydrophobicContact CD2-CE1 3.79Å; W379-Y447 HydrophobicContact CE3-CD1 4.18Å; W379-Y447 HydrophobicContact CE3-CE1 4.37Å; W379-Y447 HydrophobicContact CG-CD1 4.23Å; W379-Y447 AromaticContact CG-CE1 3.61Å; W379-Y447 HydrophobicContact CG-CE1 3.61Å; W379-Y447 AromaticContact CG-CZ 3.88Å; W379-Y447 HydrophobicContact CZ2-CD1 4.47Å; W379-Y447 HydrophobicContact CZ2-CG 4.35Å; W379-Y447 AromaticContact NE1-CZ 3.91Å; W379-F456 HydrophobicContact CB-CB 4.03Å; W379-F456 HydrophobicContact CB-CD1 4.21Å; W379-F456 HydrophobicContact CB-CD2 3.66Å; W379-F456 HydrophobicContact CB-CE2 4.12Å; W379-F456 HydrophobicContact CB-CG 3.7Å; W379-R472 VanDerWaalsContact O-CZ 3.25Å; W379-R472 PolarHBondContact O-NH1 3.39Å; W379-R472 PolarHBondContact O-NH2 3Å
380	T	98.2	Very high	94.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.159	C	C	.	.			trans	-101.3	137.3	-179	-63.5	0	0	0	0	111	F325 A332 D333 L335 V376 P377 V421	F325-T380 HydrophobicContact CE1-CG2 4.28Å; A332-T380 PolarHBondContact O-OG1 3.02Å; D333-T380 WeakPolarHBondContact O-CA 3.14Å; L335-T380 HydrophobicContact CB-CG2 4.4Å; V376-T380 HydrophobicContact CG1-CG2 4.1Å; P377-T380 WeakPolarHBondContact CG-OG1 3.33Å; P377-T380 PolarHBondContact O-N 3.27Å; T380-V421 PolarHBondContact O-N 2.89Å
381	R	97.7	Very high	94.3	Very high	24 Å²	24	36.5 Å²	36.5	9%	0.091	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.2	176.6	-171.6	175.8	-173.6	166.9	8.2	111.7	D333 G334 L335 Y383 V421 R422 E425	D333-R381 PolarHBondContact O-N 3.1Å; G334-R381 CarbonylContact C-O 3.53Å; G334-R381 WeakPolarHBondContact CA-O 3.16Å; L335-R381 PolarHBondContact N-O 2.77Å; R381-Y383 HydrophobicContact CB-CD2 4.48Å; R381-Y383 HydrophobicContact CB-CE2 4.05Å; R381-Y383 HydrophobicContact CG-CD2 4.34Å; R381-Y383 HydrophobicContact CG-CE2 4.13Å; R381-Y383 WeakPolarHBondContact O-CD2 3.45Å; R381-Y383 PolarHBondContact O-N 3.42Å; R381-V421 HydrophobicContact CB-CB 3.92Å; R381-V421 HydrophobicContact CB-CG1 4.32Å; R381-V421 HydrophobicContact CG-CB 4.2Å; R381-V421 HydrophobicContact CG-CG1 4.32Å; R381-R422 HydrophobicContact CG-CB 4.1Å; R381-E425 IonicContact CZ-OE1 3.59Å; R381-E425 IonicContact NE-OE1 3.69Å; R381-E425 PolarHBondContact NE-OE1 3.46Å; R381-E425 IonicContact NH1-OE1 2.61Å; R381-E425 IonicContact NH2-OE1 2.74Å; R381-E425 PolarHBondContact NH2-OE1 2.96Å; R381-E425 IonicContact NH2-OE2 2.73Å; R381-E425 PolarHBondContact NH2-OE2 3.04Å
382	V	97.1	Very high	94.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	109	170.1	-174.3	0	0	0	0	109.3	L335 I337 L373 V376 V385 D420 R422	L335-V382 WeakPolarHBondContact O-CA 3.3Å; I337-V382 HydrophobicContact CD1-CG1 4.31Å; L373-V382 HydrophobicContact CD2-CG1 4.27Å; L373-V382 HydrophobicContact CD2-CG2 4.06Å; V376-V382 HydrophobicContact CG1-CG2 4.04Å; V376-V382 HydrophobicContact CG2-CG2 3.85Å; V382-V385 HydrophobicContact CG1-CG2 3.94Å; V382-D420 VanDerWaalsContact CB-OD2 3.3Å; V382-D420 WeakPolarHBondContact CB-OD2 3.34Å; V382-D420 HydrophobicContact CG2-CB 4.08Å; V382-D420 PolarHBondContact N-OD2 2.89Å; V382-R422 WeakPolarHBondContact O-CD 3.41Å
383	Y	94.2	Very high	93.8	Very high	46 Å²	46	38.6 Å²	38.6	18%	0.18	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-40.9	-178	-72.9	-94.5	0	0	0	112	R262 V302 L335 R381	R262-Y383 PolarHBondContact NH1-OH 2.9Å; V302-Y383 HydrophobicContact CG1-CD2 4.17Å; V302-Y383 HydrophobicContact CG1-CE2 4.28Å; V302-Y383 HydrophobicContact CG2-CD2 4.34Å; V302-Y383 HydrophobicContact CG2-CE2 3.63Å; L335-Y383 PolarHBondContact O-N 3.36Å; R381-Y383 HydrophobicContact CB-CD2 4.48Å; R381-Y383 HydrophobicContact CB-CE2 4.05Å; R381-Y383 HydrophobicContact CG-CD2 4.34Å; R381-Y383 HydrophobicContact CG-CE2 4.13Å; R381-Y383 WeakPolarHBondContact O-CD2 3.45Å; R381-Y383 PolarHBondContact O-N 3.42Å
384	R	92.4	Very high	93.6	Very high	94 Å²	94	39.8 Å²	39.8	36%	0.355	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	150.5	-176.6	-69.3	-168.7	173.5	-162.2	-13.1	111.3	I337 Y338 D388	I337-R384 PolarHBondContact N-O 2.8Å; Y338-R384 HydrophobicContact CE1-CB 4Å; R384-D388 IonicContact CZ-OD1 3.82Å; R384-D388 IonicContact CZ-OD2 3.47Å; R384-D388 IonicContact NH1-OD1 3.17Å; R384-D388 PolarHBondContact NH1-OD1 2.82Å; R384-D388 IonicContact NH1-OD2 3.87Å; R384-D388 PolarHBondContact NH1-OD2 2.9Å; R384-D388 IonicContact NH2-OD1 2.78Å; R384-D388 IonicContact NH2-OD2 2.82Å; R384-D388 PolarHBondContact NH2-OD2 2.9Å
385	V	92.8	Very high	93.5	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.03	21%	0.21	C	C	.	.	S	Bend	trans	-119	2.4	177.2	-167	0	0	0	0	111.5	I337 P339 I369 V382 I403 R404	I337-V385 CarbonylContact O-C 3.57Å; I337-V385 VanDerWaalsContact O-CA 3.27Å; I337-V385 WeakPolarHBondContact O-CA 3.18Å; P339-V385 WeakPolarHBondContact CD-O 3.41Å; I369-V385 HydrophobicContact CD1-CG1 4.48Å; I369-V385 HydrophobicContact CG1-CG1 4.44Å; I369-V385 HydrophobicContact CG2-CG1 3.34Å; V382-V385 HydrophobicContact CG1-CG2 3.94Å; V385-I403 HydrophobicContact CB-CG2 4.17Å; V385-I403 HydrophobicContact CG1-CG2 3.97Å; V385-I403 WeakPolarHBondContact O-CG2 3.46Å; V385-R404 HydrophobicContact CB-CB 4.21Å; V385-R404 HydrophobicContact CG2-CB 4.1Å; V385-R404 HydrophobicContact CG2-CG 3.98Å
386	Q	91.7	Very high	93.4	Very high	43 Å²	43	38.5 Å²	38.5	20%	0.201	20%	0.203	C	C	.	.	S	Bend	trans	-160.9	162.7	173.4	63.4	-176.8	40.6	0	0	109.7	I337 Y338 H400 G401 I403	I337-Q386 PolarHBondContact O-N 2.89Å; Y338-Q386 WeakPolarHBondContact CE1-O 3.48Å; Q386-H400 PolarHBondContact OE1-O 2.72Å; Q386-G401 PolarHBondContact NE2-O 3.19Å; Q386-G401 PolarHBondContact OE1-O 3.03Å; Q386-I403 HydrophobicContact CB-CG2 3.97Å; Q386-I403 HydrophobicContact CG-CG2 4.17Å
387	R	87.7	Confident	93.1	Very high	47 Å²	47	38.8 Å²	38.8	18%	0.177	21%	0.206	C	C	.	.			trans	-83.4	159.8	171.5	-65.7	-171.8	179.2	178.6	7.3	111.2	Y338 I389	Y338-R387 HydrophobicContact CD1-CB 4.3Å; Y338-R387 HydrophobicContact CD1-CG 3.27Å; Y338-R387 HydrophobicContact CD2-CG 3.99Å; Y338-R387 VanDerWaalsContact CD2-NE 3.27Å; Y338-R387 HydrophobicContact CE1-CB 4.4Å; Y338-R387 HydrophobicContact CE1-CG 3.53Å; Y338-R387 HydrophobicContact CE2-CG 4.19Å; Y338-R387 HydrophobicContact CG-CG 3.5Å; Y338-R387 VanDerWaalsContact CG-CG 3.5Å; R387-I389 HydrophobicContact CB-CD1 4.35Å; R387-I389 HydrophobicContact CB-CG1 4.02Å; R387-I389 PolarHBondContact O-N 2.98Å; R387-I389 VanDerWaalsContact O-N 3.12Å
388	D	85.7	Confident	92.8	Very high	69 Å²	69	38.7 Å²	38.7	37%	0.369	21%	0.206	S	C	.	.			trans	-83.7	35.8	177.2	-69.3	-20.7	0	0	0	112.2	E151 R384	E151-D388 WeakPolarHBondContact CG-O 3.47Å; R384-D388 IonicContact CZ-OD1 3.82Å; R384-D388 IonicContact CZ-OD2 3.47Å; R384-D388 IonicContact NH1-OD1 3.17Å; R384-D388 PolarHBondContact NH1-OD1 2.82Å; R384-D388 IonicContact NH1-OD2 3.87Å; R384-D388 PolarHBondContact NH1-OD2 2.9Å; R384-D388 IonicContact NH2-OD1 2.78Å; R384-D388 IonicContact NH2-OD2 2.82Å; R384-D388 PolarHBondContact NH2-OD2 2.9Å
389	I	89.2	Confident	92.3	Very high	12 Å²	12	44.1 Å²	44.1	6%	0.062	23%	0.229	C	C	.	.			trans	-81.5	128.6	179.9	-61.3	-175.4	0	0	0	108.7	T148 L341 I343 R387 M391 L393 V394	T148-I389 HydrophobicContact CG2-CG2 4.38Å; L341-I389 HydrophobicContact CD1-CB 4.29Å; L341-I389 HydrophobicContact CD1-CD1 4.19Å; I343-I389 HydrophobicContact CD1-CD1 3.5Å; I343-I389 HydrophobicContact CD1-CG2 4.15Å; R387-I389 HydrophobicContact CB-CD1 4.35Å; R387-I389 HydrophobicContact CB-CG1 4.02Å; R387-I389 PolarHBondContact O-N 2.98Å; R387-I389 VanDerWaalsContact O-N 3.12Å; I389-M391 WeakPolarHBondContact O-CE 3.2Å; I389-M391 PolarHBondContact O-N 3.45Å; I389-L393 HydrophobicContact CG2-CB 4.44Å; I389-V394 HydrophobicContact CG2-CG2 4.05Å
390	P	89.6	Confident	91.6	Very high	40 Å²	40	46.3 Å²	46.3	26%	0.26	24%	0.241	S	C	.	.			trans	-58.4	128	175.2	-24.6	34	0	0	0	111.9	P392 L393	P390-P392 VanDerWaalsContact C-N 3.3Å; P390-L393 HydrophobicContact CB-CD1 4.38Å; P390-L393 HydrophobicContact CB-CG 4.48Å; P390-L393 HydrophobicContact CG-CD1 4.28Å; P390-L393 WeakPolarHBondContact O-CB 3.41Å; P390-L393 PolarHBondContact O-N 2.87Å
391	M	89	Confident	91	Very high	65 Å²	65	48.6 Å²	48.6	32%	0.32	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-53.2	-35.6	-179.7	-60.6	-65.2	91.3	0	0	114.7	I389 L393 V394	I389-M391 WeakPolarHBondContact O-CE 3.2Å; I389-M391 PolarHBondContact O-N 3.45Å; M391-L393 PolarHBondContact O-N 3.43Å; M391-V394 HydrophobicContact CE-CG2 4.06Å; M391-V394 WeakPolarHBondContact O-CB 3.43Å; M391-V394 PolarHBondContact O-N 3.24Å
392	P	91.3	Very high	90.6	Very high	126 Å²	126	50.7 Å²	50.7	82%	0.818	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-60.6	-16.3	176.1	-26.5	36.5	0	0	0	115.4	P390	P390-P392 VanDerWaalsContact C-N 3.3Å
393	L	91.9	Very high	90.4	Very high	47 Å²	47	50.9 Å²	50.9	25%	0.246	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-92.1	-10.2	176.7	-59.5	178.2	0	0	0	113	F140 T148 Y150 I389 P390 M391	F140-L393 HydrophobicContact CE1-CD1 4.41Å; F140-L393 HydrophobicContact CE1-CD2 4.47Å; T148-L393 HydrophobicContact CG2-CD1 4.01Å; T148-L393 WeakPolarHBondContact OG1-CD1 3.34Å; Y150-L393 HydrophobicContact CD2-CD1 3.64Å; Y150-L393 HydrophobicContact CG-CD1 4.07Å; I389-L393 HydrophobicContact CG2-CB 4.44Å; P390-L393 HydrophobicContact CB-CD1 4.38Å; P390-L393 HydrophobicContact CB-CG 4.48Å; P390-L393 HydrophobicContact CG-CD1 4.28Å; P390-L393 WeakPolarHBondContact O-CB 3.41Å; P390-L393 PolarHBondContact O-N 2.87Å; M391-L393 PolarHBondContact O-N 3.43Å
394	V	93.4	Very high	90.3	Very high	27 Å²	27	51.2 Å²	51.2	16%	0.164	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.9	-177.2	-179.6	0	0	0	0	108.7	L341 I389 M391 S396	L341-V394 HydrophobicContact CB-CG1 4.33Å; L341-V394 HydrophobicContact CD1-CG2 4.06Å; L341-V394 HydrophobicContact CD2-CG1 3.99Å; I389-V394 HydrophobicContact CG2-CG2 4.05Å; M391-V394 HydrophobicContact CE-CG2 4.06Å; M391-V394 WeakPolarHBondContact O-CB 3.43Å; M391-V394 PolarHBondContact O-N 3.24Å; V394-S396 WeakPolarHBondContact CG1-O 3.49Å
395	S	94.7	Very high	90.3	Very high	53 Å²	53	53 Å²	53	37%	0.371	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-32.4	178.2	-53.2	0	0	0	0	112.8	V342	V342-S395 PolarHBondContact O-N 2.85Å
396	S	94.5	Very high	90.4	Very high	29 Å²	29	55.4 Å²	55.4	20%	0.203	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	154.2	177.7	177.9	0	0	0	0	110.1	V342 S359 V394	V342-S396 PolarHBondContact N-O 3.49Å; S359-S396 WeakPolarHBondContact CB-OG 3.46Å; S359-S396 PolarHBondContact OG-OG 3.48Å; V394-S396 WeakPolarHBondContact CG1-O 3.49Å
397	G	92.7	Very high	90.6	Very high	10 Å²	10	53.3 Å²	53.3	10%	0.103	30%	0.295	C	S	.	.	S	Bend	trans	123.9	-126.3	-179.1	0	0	0	0	0	111.7	E399	G397-E399 PolarHBondContact O-N 3.3Å
398	V	90.3	Very high	90.9	Very high	12 Å²	12	53.5 Å²	53.5	7%	0.073	30%	0.299	C	S	.	.			trans	-69.8	122.7	-179.2	-178.7	0	0	0	0	111.1	P339 L341 L365 H400 I403	P339-V398 HydrophobicContact CB-CG2 3.76Å; P339-V398 HydrophobicContact CG-CG2 4.16Å; L341-V398 HydrophobicContact CD2-CB 3.83Å; L341-V398 HydrophobicContact CD2-CG2 3.79Å; L365-V398 HydrophobicContact CD2-CG2 3.7Å; V398-H400 VanDerWaalsContact CG1-O 3.24Å; V398-H400 WeakPolarHBondContact CG1-O 3.39Å; V398-I403 HydrophobicContact CG1-CD1 4.35Å; V398-I403 HydrophobicContact CG2-CD1 4.31Å
399	E	86.4	Confident	91.3	Very high	135 Å²	135	52.6 Å²	52.6	63%	0.631	30%	0.301	S	S	*	.			trans	-90.3	-20	178.2	-62	-174.2	-179.6	0	0	113.9	A362 G397	A362-E399 HydrophobicContact CB-CB 4.47Å; A362-E399 HydrophobicContact CB-CG 4.31Å; G397-E399 PolarHBondContact O-N 3.3Å
400	H	83.7	Confident	91.6	Very high	88 Å²	88	56 Å²	56	41%	0.407	31%	0.313	S	S	.	.			trans	-124.3	127.6	-171.9	-55.2	-34.4	0	0	0	112.3	Q386 V398 N402 L406	Q386-H400 PolarHBondContact OE1-O 2.72Å; V398-H400 VanDerWaalsContact CG1-O 3.24Å; V398-H400 WeakPolarHBondContact CG1-O 3.39Å; H400-N402 PolarHBondContact O-N 2.97Å; H400-N402 VanDerWaalsContact O-N 3.13Å; H400-L406 HydrophobicContact CB-CD1 3.98Å
401	G	85	Confident	91.8	Very high	48 Å²	48	54.3 Å²	54.3	50%	0.495	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	3.3	178.8	0	0	0	0	0	115.5	Q386	Q386-G401 PolarHBondContact NE2-O 3.19Å; Q386-G401 PolarHBondContact OE1-O 3.03Å
402	N	89.8	Confident	92	Very high	68 Å²	68	59.2 Å²	59.2	36%	0.364	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	31.3	179.6	68.7	-31.2	0	0	0	113.1	H400 R404 E405 L406	H400-N402 PolarHBondContact O-N 2.97Å; H400-N402 VanDerWaalsContact O-N 3.13Å; N402-R404 PolarHBondContact O-N 2.97Å; N402-E405 HydrophobicContact CB-CB 4.43Å; N402-E405 PolarHBondContact ND2-OE2 2.99Å; N402-E405 VanDerWaalsContact ND2-OE2 3.12Å; N402-E405 WeakPolarHBondContact O-CB 3.31Å; N402-E405 PolarHBondContact O-N 3Å; N402-L406 PolarHBondContact O-N 3.43Å
403	I	92.3	Very high	92.1	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-50.9	-34.2	-175.6	-161.9	171.1	0	0	0	114.6	P339 L365 V366 I369 V385 Q386 V398 E405 L406 A407	P339-I403 HydrophobicContact CG-CD1 4.35Å; L365-I403 HydrophobicContact CD2-CD1 3.89Å; L365-I403 HydrophobicContact CG-CD1 4.04Å; V366-I403 HydrophobicContact CG2-CG1 4.25Å; I369-I403 HydrophobicContact CG1-CD1 4.23Å; V385-I403 HydrophobicContact CB-CG2 4.17Å; V385-I403 HydrophobicContact CG1-CG2 3.97Å; V385-I403 WeakPolarHBondContact O-CG2 3.46Å; Q386-I403 HydrophobicContact CB-CG2 3.97Å; Q386-I403 HydrophobicContact CG-CG2 4.17Å; V398-I403 HydrophobicContact CG1-CD1 4.35Å; V398-I403 HydrophobicContact CG2-CD1 4.31Å; I403-E405 VanDerWaalsContact C-N 3.32Å; I403-E405 PolarHBondContact O-N 2.85Å; I403-L406 PolarHBondContact O-N 3.32Å; I403-A407 WeakPolarHBondContact O-CB 3.16Å; I403-A407 PolarHBondContact O-N 3.16Å
404	R	93	Very high	92	Very high	53 Å²	53	59.8 Å²	59.8	20%	0.2	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-40	177.9	-175	174.1	-166.8	-111.2	-1.7	111.9	V385 N402 L408 T423	V385-R404 HydrophobicContact CB-CB 4.21Å; V385-R404 HydrophobicContact CG2-CB 4.1Å; V385-R404 HydrophobicContact CG2-CG 3.98Å; N402-R404 PolarHBondContact O-N 2.97Å; R404-L408 HydrophobicContact CG-CD1 4.19Å; R404-L408 WeakPolarHBondContact O-CB 3.46Å; R404-L408 VanDerWaalsContact O-CG 3.23Å; R404-L408 WeakPolarHBondContact O-CG 3.49Å; R404-L408 PolarHBondContact O-N 3.08Å; R404-T423 PolarHBondContact NH2-OG1 2.92Å
405	E	92.8	Very high	91.9	Very high	131 Å²	131	61.9 Å²	61.9	61%	0.612	34%	0.341	S	S	*	.	H	α-helix	trans	-68.3	-44.8	178.5	-177	179.7	-165.3	0	0	110.6	N402 I403 A407 L408 A409	N402-E405 HydrophobicContact CB-CB 4.43Å; N402-E405 PolarHBondContact ND2-OE2 2.99Å; N402-E405 VanDerWaalsContact ND2-OE2 3.12Å; N402-E405 WeakPolarHBondContact O-CB 3.31Å; N402-E405 PolarHBondContact O-N 3Å; I403-E405 VanDerWaalsContact C-N 3.32Å; I403-E405 PolarHBondContact O-N 2.85Å; E405-A407 PolarHBondContact O-N 3.31Å; E405-L408 PolarHBondContact O-N 2.76Å; E405-A409 WeakPolarHBondContact O-CB 3.34Å; E405-A409 PolarHBondContact O-N 2.96Å
406	L	94.6	Very high	91.9	Very high	56 Å²	56	62 Å²	62	29%	0.293	34%	0.34	S	S	.	.	H	α-helix	trans	-60.3	-45.5	176.5	-62.7	175.3	0	0	0	111.7	V366 H400 N402 I403 A409 R410	V366-L406 HydrophobicContact CG1-CB 4.03Å; V366-L406 HydrophobicContact CG2-CB 4Å; V366-L406 HydrophobicContact CG2-CD1 4.27Å; H400-L406 HydrophobicContact CB-CD1 3.98Å; N402-L406 PolarHBondContact O-N 3.43Å; I403-L406 PolarHBondContact O-N 3.32Å; L406-A409 PolarHBondContact O-N 3Å; L406-R410 WeakPolarHBondContact O-CB 3.43Å; L406-R410 PolarHBondContact O-N 3.43Å
407	A	95.3	Very high	91.7	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-63.7	-43.8	177.2	0	0	0	0	0	112.1	I369 A370 L373 I403 E405 A409 R410 M411	I369-A407 HydrophobicContact CB-CB 4.19Å; I369-A407 HydrophobicContact CG2-CB 3.55Å; A370-A407 HydrophobicContact CB-CB 4.43Å; L373-A407 HydrophobicContact CD1-CB 3.99Å; I403-A407 WeakPolarHBondContact O-CB 3.16Å; I403-A407 PolarHBondContact O-N 3.16Å; E405-A407 PolarHBondContact O-N 3.31Å; A407-A409 VanDerWaalsContact C-N 3.31Å; A407-A409 PolarHBondContact O-N 3.34Å; A407-R410 PolarHBondContact O-N 2.83Å; A407-M411 VanDerWaalsContact O-CG 3.29Å; A407-M411 WeakPolarHBondContact O-CG 3.47Å; A407-M411 PolarHBondContact O-N 3.35Å
408	L	93.8	Very high	91.8	Very high	50 Å²	50	68.7 Å²	68.7	26%	0.262	36%	0.364	S	S	.	.	H	α-helix	trans	-65.2	-34	176.5	-72.1	173.8	0	0	0	112.6	L373 R404 E405 M411 C418	L373-L408 HydrophobicContact CD1-CD2 4.48Å; R404-L408 HydrophobicContact CG-CD1 4.19Å; R404-L408 WeakPolarHBondContact O-CB 3.46Å; R404-L408 VanDerWaalsContact O-CG 3.23Å; R404-L408 WeakPolarHBondContact O-CG 3.49Å; R404-L408 PolarHBondContact O-N 3.08Å; E405-L408 PolarHBondContact O-N 2.76Å; L408-M411 HydrophobicContact CD2-SD 4.12Å; L408-C418 HydrophobicContact CD2-CB 3.83Å
409	A	94	Very high	92	Very high	51 Å²	51	73 Å²	73	42%	0.421	38%	0.379	S	S	.	.	H	α-helix	trans	-66.3	-47	172.1	0	0	0	0	0	110.6	E405 L406 A407 M411 K412	E405-A409 WeakPolarHBondContact O-CB 3.34Å; E405-A409 PolarHBondContact O-N 2.96Å; L406-A409 PolarHBondContact O-N 3Å; A407-A409 VanDerWaalsContact C-N 3.31Å; A407-A409 PolarHBondContact O-N 3.34Å; A409-M411 VanDerWaalsContact C-N 3.3Å; A409-M411 PolarHBondContact O-N 2.68Å; A409-K412 VanDerWaalsContact O-CB 3.25Å; A409-K412 WeakPolarHBondContact O-CB 3.49Å; A409-K412 PolarHBondContact O-N 3.46Å
410	R	95.1	Very high	92.4	Very high	84 Å²	84	66.5 Å²	66.5	32%	0.317	35%	0.349	S	S	.	.	H	α-helix	trans	-60.1	-36.4	178.6	-177.3	58.7	179.9	150.4	0.6	113.3	V366 D367 A370 L406 A407 K412 D413 F414	V366-R410 HydrophobicContact CG1-CB 3.97Å; V366-R410 HydrophobicContact CG1-CG 4.3Å; D367-R410 IonicContact OD1-CZ 3.88Å; D367-R410 IonicContact OD1-NE 2.79Å; D367-R410 PolarHBondContact OD1-NE 3.46Å; D367-R410 IonicContact OD1-NH2 2.9Å; D367-R410 PolarHBondContact OD1-NH2 2.87Å; A370-R410 HydrophobicContact CB-CB 4.01Å; A370-R410 HydrophobicContact CB-CG 3.88Å; L406-R410 WeakPolarHBondContact O-CB 3.43Å; L406-R410 PolarHBondContact O-N 3.43Å; A407-R410 PolarHBondContact O-N 2.83Å; R410-K412 PolarHBondContact O-N 2.73Å; R410-D413 WeakPolarHBondContact CD-OD2 3.38Å; R410-D413 IonicContact CZ-OD2 3.52Å; R410-D413 IonicContact NH1-OD2 3.7Å; R410-D413 PolarHBondContact NH1-OD2 2.69Å; R410-D413 WeakPolarHBondContact O-CB 3.25Å; R410-D413 PolarHBondContact O-N 2.9Å; R410-D413 VanDerWaalsContact O-N 3.09Å; R410-F414 HydrophobicContact CG-CE2 4.15Å; R410-F414 HydrophobicContact CG-CZ 4.3Å
411	M	95.2	Very high	93	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.015	33%	0.33	C	S	.	.	H	α-helix	trans	-58.9	-29.5	174.8	-72	179.5	78.1	0	0	113.3	A370 L373 A374 A407 L408 A409 D413 F414 G415 T416 K417 C418	A370-M411 HydrophobicContact CB-CG 3.73Å; L373-M411 HydrophobicContact CB-CE 4.2Å; L373-M411 HydrophobicContact CB-SD 3.63Å; L373-M411 HydrophobicContact CD1-SD 4.31Å; A374-M411 HydrophobicContact CB-CE 3.87Å; A407-M411 VanDerWaalsContact O-CG 3.29Å; A407-M411 WeakPolarHBondContact O-CG 3.47Å; A407-M411 PolarHBondContact O-N 3.35Å; L408-M411 HydrophobicContact CD2-SD 4.12Å; A409-M411 VanDerWaalsContact C-N 3.3Å; A409-M411 PolarHBondContact O-N 2.68Å; M411-D413 VanDerWaalsContact C-N 3.28Å; M411-D413 PolarHBondContact O-N 2.78Å; M411-F414 PolarHBondContact O-N 3.49Å; M411-G415 PolarHBondContact O-N 3.43Å; M411-T416 PolarHBondContact O-N 3.09Å; M411-T416 VanDerWaalsContact O-N 3.17Å; M411-T416 PolarHBondContact O-OG1 3.15Å; M411-K417 VanDerWaalsContact CE-C 3.47Å; M411-C418 HydrophobicContact CE-CB 3.85Å; M411-C418 VanDerWaalsContact CE-N 3.32Å; M411-C418 HydrophobicContact SD-CB 3.91Å
412	K	92.8	Very high	93.4	Very high	169 Å²	169	62.6 Å²	62.6	74%	0.735	32%	0.315	S	S	*	.	H	α-helix	trans	-64.5	-36.1	177.2	-61.7	179.2	178.2	179.1	0	111.5	A409 R410 F414 G415	A409-K412 VanDerWaalsContact O-CB 3.25Å; A409-K412 WeakPolarHBondContact O-CB 3.49Å; A409-K412 PolarHBondContact O-N 3.46Å; R410-K412 PolarHBondContact O-N 2.73Å; K412-F414 PolarHBondContact O-N 3.49Å; K412-G415 PolarHBondContact O-N 3.11Å
413	D	92.2	Very high	93.5	Very high	113 Å²	113	60.4 Å²	60.4	60%	0.604	31%	0.305	S	S	*	.	H	α-helix	trans	-64.6	-29.8	177.4	-54	-19.5	0	0	0	111.6	R410 M411 G415	R410-D413 WeakPolarHBondContact CD-OD2 3.38Å; R410-D413 IonicContact CZ-OD2 3.52Å; R410-D413 IonicContact NH1-OD2 3.7Å; R410-D413 PolarHBondContact NH1-OD2 2.69Å; R410-D413 WeakPolarHBondContact O-CB 3.25Å; R410-D413 PolarHBondContact O-N 2.9Å; R410-D413 VanDerWaalsContact O-N 3.09Å; M411-D413 VanDerWaalsContact C-N 3.28Å; M411-D413 PolarHBondContact O-N 2.78Å; D413-G415 VanDerWaalsContact C-N 3.34Å
414	F	89.7	Confident	93.6	Very high	72 Å²	72	60.3 Å²	60.3	32%	0.316	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-7.8	175.8	-57.4	-36.6	0	0	0	114	D367 A370 R371 R410 M411 K412 T416	D367-F414 WeakPolarHBondContact OD1-CZ 3.08Å; A370-F414 HydrophobicContact CB-CD2 4.48Å; A370-F414 HydrophobicContact CB-CE2 3.94Å; R371-F414 HydrophobicContact CG-CE2 4.17Å; R410-F414 HydrophobicContact CG-CE2 4.15Å; R410-F414 HydrophobicContact CG-CZ 4.3Å; M411-F414 PolarHBondContact O-N 3.49Å; K412-F414 PolarHBondContact O-N 3.49Å; F414-T416 HydrophobicContact CB-CG2 4.07Å; F414-T416 PolarHBondContact O-N 2.92Å
415	G	92.9	Very high	93.5	Very high	70 Å²	70	57.9 Å²	57.9	72%	0.722	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	18.6	-170.5	0	0	0	0	0	114	M411 K412 D413	M411-G415 PolarHBondContact O-N 3.43Å; K412-G415 PolarHBondContact O-N 3.11Å; D413-G415 VanDerWaalsContact C-N 3.34Å
416	T	93.1	Very high	93.2	Very high	55 Å²	55	52 Å²	52	34%	0.337	27%	0.268	S	S	.	.			trans	-100.1	158.7	179.6	61.8	0	0	0	0	111.6	A374 M411 F414	A374-T416 HydrophobicContact CB-CG2 4.47Å; M411-T416 PolarHBondContact O-N 3.09Å; M411-T416 VanDerWaalsContact O-N 3.17Å; M411-T416 PolarHBondContact O-OG1 3.15Å; F414-T416 HydrophobicContact CB-CG2 4.07Å; F414-T416 PolarHBondContact O-N 2.92Å
417	K	92	Very high	92.6	Very high	167 Å²	167	49.6 Å²	49.6	73%	0.726	26%	0.257	S	S	*	.			trans	-124	139	179	-66.4	-177.5	-179	178.2	0	110.3	M411 R419	M411-K417 VanDerWaalsContact CE-C 3.47Å; K417-R419 PolarHBondContact O-N 2.98Å
418	C	93.6	Very high	92.1	Very high	13 Å²	13	49.8 Å²	49.8	9%	0.088	26%	0.258	C	S	.	.			trans	-78.7	112.2	171.9	-172.8	0	0	0	0	109.3	L408 M411	L408-C418 HydrophobicContact CD2-CB 3.83Å; M411-C418 HydrophobicContact CE-CB 3.85Å; M411-C418 VanDerWaalsContact CE-N 3.32Å; M411-C418 HydrophobicContact SD-CB 3.91Å
419	R	94.6	Very high	91.7	Very high	102 Å²	102	48.6 Å²	48.6	39%	0.385	25%	0.25	S	S	.	.			trans	-99.8	19.7	-177.8	-57.8	-163.6	74.7	-173.8	0.9	113.6	P378 K417 R424 D465	P378-R419 WeakPolarHBondContact CA-O 3.47Å; K417-R419 PolarHBondContact O-N 2.98Å; R419-R424 WeakPolarHBondContact O-CD 3.2Å; R419-D465 IonicContact CZ-OD1 2.78Å; R419-D465 IonicContact NE-OD1 3.7Å; R419-D465 IonicContact NE-OD2 2.81Å; R419-D465 PolarHBondContact NE-OD2 2.73Å; R419-D465 IonicContact NH2-OD1 2.73Å; R419-D465 PolarHBondContact NH2-OD1 3.27Å; R419-D465 IonicContact NH2-OD2 3.61Å
420	D	95.9	Very high	91.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.242	C	C	.	.			trans	-64.7	155	177.2	92.7	-42.4	0	0	0	111.5	V376 V382 R422 T423 R424	V376-D420 HydrophobicContact CB-CB 4.27Å; V376-D420 HydrophobicContact CG1-CB 3.6Å; V382-D420 VanDerWaalsContact CB-OD2 3.3Å; V382-D420 WeakPolarHBondContact CB-OD2 3.34Å; V382-D420 HydrophobicContact CG2-CB 4.08Å; V382-D420 PolarHBondContact N-OD2 2.89Å; D420-R422 PolarHBondContact O-N 2.76Å; D420-R422 VanDerWaalsContact O-N 3.16Å; D420-R422 VanDerWaalsContact OD2-CB 3.29Å; D420-R422 WeakPolarHBondContact OD2-CB 3.46Å; D420-T423 PolarHBondContact O-N 3.29Å; D420-T423 WeakPolarHBondContact OD1-CB 3.32Å; D420-T423 PolarHBondContact OD1-N 3.39Å; D420-T423 PolarHBondContact OD1-OG1 2.98Å; D420-R424 WeakPolarHBondContact O-CG 3.36Å; D420-R424 PolarHBondContact O-N 2.97Å
421	V	95.9	Very high	90.4	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-53.4	-40.9	-179.7	167.7	0	0	0	0	111.1	P378 T380 R381 T423 R424 E425 F456 L467 L470 Y499	P378-V421 VanDerWaalsContact O-CG2 3.26Å; P378-V421 WeakPolarHBondContact O-CG2 3.37Å; T380-V421 PolarHBondContact O-N 2.89Å; R381-V421 HydrophobicContact CB-CB 3.92Å; R381-V421 HydrophobicContact CB-CG1 4.32Å; R381-V421 HydrophobicContact CG-CB 4.2Å; R381-V421 HydrophobicContact CG-CG1 4.32Å; V421-T423 PolarHBondContact O-N 2.97Å; V421-R424 PolarHBondContact O-N 3.47Å; V421-E425 WeakPolarHBondContact O-CG 3.49Å; V421-E425 PolarHBondContact O-N 3.24Å; V421-F456 HydrophobicContact CG2-CZ 4.3Å; V421-L467 HydrophobicContact CB-CD2 4.4Å; V421-L467 HydrophobicContact CG1-CD2 3.8Å; V421-L467 HydrophobicContact CG2-CD2 4.46Å; V421-L470 HydrophobicContact CG1-CD2 3.77Å; V421-Y499 WeakPolarHBondContact CG1-OH 3.23Å
422	R	93.1	Very high	89.8	Confident	51 Å²	51	53.1 Å²	53.1	19%	0.192	27%	0.27	C	S	.	.	H	α-helix	trans	-66	-40.2	-173.9	-176.2	179.3	171.6	74.4	4	113.3	R381 V382 D420 R424 E425 I428	R381-R422 HydrophobicContact CG-CB 4.1Å; V382-R422 WeakPolarHBondContact O-CD 3.41Å; D420-R422 PolarHBondContact O-N 2.76Å; D420-R422 VanDerWaalsContact O-N 3.16Å; D420-R422 VanDerWaalsContact OD2-CB 3.29Å; D420-R422 WeakPolarHBondContact OD2-CB 3.46Å; R422-R424 VanDerWaalsContact C-N 3.29Å; R422-E425 WeakPolarHBondContact CA-OE1 3.11Å; R422-E425 WeakPolarHBondContact O-CG 3.28Å; R422-I428 WeakPolarHBondContact O-CG1 3.33Å
423	T	92.2	Very high	89.4	Confident	23 Å²	23	50 Å²	50	14%	0.141	26%	0.258	C	S	.	.	H	α-helix	trans	-77.2	-23.3	-176.4	-55.5	0	0	0	0	111.4	R404 D420 V421 K429	R404-T423 PolarHBondContact NH2-OG1 2.92Å; D420-T423 PolarHBondContact O-N 3.29Å; D420-T423 WeakPolarHBondContact OD1-CB 3.32Å; D420-T423 PolarHBondContact OD1-N 3.39Å; D420-T423 PolarHBondContact OD1-OG1 2.98Å; V421-T423 PolarHBondContact O-N 2.97Å; T423-K429 WeakPolarHBondContact O-CE 3.48Å
424	R	93.7	Very high	88.9	Confident	1 Å²	1	53.3 Å²	53.3	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-91.1	-15.8	-178.8	-63.2	172	59.8	-145.2	-5.3	113.7	R419 D420 V421 R422 V426 E460 D465 I466 L467	R419-R424 WeakPolarHBondContact O-CD 3.2Å; D420-R424 WeakPolarHBondContact O-CG 3.36Å; D420-R424 PolarHBondContact O-N 2.97Å; V421-R424 PolarHBondContact O-N 3.47Å; R422-R424 VanDerWaalsContact C-N 3.29Å; R424-V426 PolarHBondContact O-N 3.31Å; R424-E460 IonicContact CZ-OE2 2.79Å; R424-E460 IonicContact NH1-OE2 3.62Å; R424-E460 VanDerWaalsContact NH2-CD 3.29Å; R424-E460 IonicContact NH2-OE1 3.75Å; R424-E460 IonicContact NH2-OE2 3.08Å; R424-E460 PolarHBondContact NH2-OE2 2.73Å; R424-D465 WeakPolarHBondContact CB-O 3.15Å; R424-D465 WeakPolarHBondContact CG-O 3.12Å; R424-D465 IonicContact CZ-OD1 3.66Å; R424-D465 VanDerWaalsContact CZ-OD1 3.25Å; R424-D465 VanDerWaalsContact NE-CG 3.32Å; R424-D465 IonicContact NE-OD1 3.78Å; R424-D465 PolarHBondContact NE-OD1 3.06Å; R424-D465 IonicContact NE-OD2 3.02Å; R424-D465 IonicContact NH2-OD1 3.51Å; R424-D465 PolarHBondContact NH2-OD1 3.23Å; R424-I466 CarbonylContact O-C 2.96Å; R424-I466 WeakPolarHBondContact O-CA 3.29Å; R424-L467 HydrophobicContact CB-CB 4.03Å; R424-L467 PolarHBondContact O-N 3.46Å
425	E	91.3	Very high	88.6	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.009	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-54	132.4	-179.6	-45.1	-178	175.2	0	0	111.5	R381 V421 R422 G427 I428 K429 Y499	R381-E425 IonicContact CZ-OE1 3.59Å; R381-E425 IonicContact NE-OE1 3.69Å; R381-E425 PolarHBondContact NE-OE1 3.46Å; R381-E425 IonicContact NH1-OE1 2.61Å; R381-E425 IonicContact NH2-OE1 2.74Å; R381-E425 PolarHBondContact NH2-OE1 2.96Å; R381-E425 IonicContact NH2-OE2 2.73Å; R381-E425 PolarHBondContact NH2-OE2 3.04Å; V421-E425 WeakPolarHBondContact O-CG 3.49Å; V421-E425 PolarHBondContact O-N 3.24Å; R422-E425 WeakPolarHBondContact CA-OE1 3.11Å; R422-E425 WeakPolarHBondContact O-CG 3.28Å; E425-G427 PolarHBondContact O-N 3.33Å; E425-G427 VanDerWaalsContact O-N 3.09Å; E425-I428 HydrophobicContact CB-CB 4.45Å; E425-I428 HydrophobicContact CB-CG1 4.2Å; E425-I428 PolarHBondContact O-N 2.9Å; E425-K429 PolarHBondContact O-N 3.32Å; E425-Y499 HydrophobicContact CB-CD1 4.09Å; E425-Y499 HydrophobicContact CB-CD2 4.35Å; E425-Y499 HydrophobicContact CB-CE1 3.94Å; E425-Y499 HydrophobicContact CB-CE2 4.24Å; E425-Y499 HydrophobicContact CB-CG 4.29Å; E425-Y499 HydrophobicContact CG-CD1 4.24Å; E425-Y499 HydrophobicContact CG-CE1 3.58Å; E425-Y499 HydrophobicContact CG-CE2 3.96Å; E425-Y499 VanDerWaalsContact CG-CZ 3.41Å; E425-Y499 WeakPolarHBondContact CG-OH 3.47Å; E425-Y499 WeakPolarHBondContact OE1-CE1 3.41Å; E425-Y499 PolarHBondContact OE1-OH 2.65Å; E425-Y499 WeakPolarHBondContact OE2-CE1 3.33Å
426	V	86.7	Confident	88	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-51.6	-37.3	179.5	65.1	0	0	0	0	113.2	R424 I428 D430 P437 I466 L467	R424-V426 PolarHBondContact O-N 3.31Å; V426-I428 VanDerWaalsContact C-N 3.34Å; V426-I428 PolarHBondContact O-N 2.97Å; V426-D430 WeakPolarHBondContact O-CB 3.34Å; V426-D430 PolarHBondContact O-N 2.91Å; V426-P437 HydrophobicContact CG2-CG 4.49Å; V426-I466 HydrophobicContact CB-CG2 3.86Å; V426-I466 HydrophobicContact CG2-CG2 4.15Å; V426-L467 PolarHBondContact N-O 3.16Å
427	G	80.7	Confident	87.6	Confident	6 Å²	6	51.6 Å²	51.6	6%	0.062	24%	0.24	C	C	.	.	H	α-helix	trans	-67.8	-29.4	177.5	0	0	0	0	0	114.4	E425 L431	E425-G427 PolarHBondContact O-N 3.33Å; E425-G427 VanDerWaalsContact O-N 3.09Å; G427-L431 VanDerWaalsContact O-CB 3.3Å; G427-L431 WeakPolarHBondContact O-CB 3.3Å; G427-L431 PolarHBondContact O-N 2.99Å
428	I	84.8	Confident	87.2	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-84.7	-41.2	177.5	-61.4	-60.9	0	0	0	110.2	V101 A104 R422 E425 V426 L431 H432	V101-I428 HydrophobicContact CG2-CD1 3.86Å; A104-I428 HydrophobicContact CB-CD1 4.05Å; R422-I428 WeakPolarHBondContact O-CG1 3.33Å; E425-I428 HydrophobicContact CB-CB 4.45Å; E425-I428 HydrophobicContact CB-CG1 4.2Å; E425-I428 PolarHBondContact O-N 2.9Å; V426-I428 VanDerWaalsContact C-N 3.34Å; V426-I428 PolarHBondContact O-N 2.97Å; I428-L431 PolarHBondContact O-N 3.14Å; I428-H432 WeakPolarHBondContact O-CB 3.49Å; I428-H432 PolarHBondContact O-N 3.11Å
429	K	85.4	Confident	86.9	Confident	24 Å²	24	53.9 Å²	53.9	10%	0.104	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-45	175.6	-77.5	-69	-166.7	175.6	0	112.4	T423 E425 E433 K434 I466	T423-K429 WeakPolarHBondContact O-CE 3.48Å; E425-K429 PolarHBondContact O-N 3.32Å; K429-E433 WeakPolarHBondContact CD-OE2 3.23Å; K429-E433 IonicContact NZ-OE1 3.57Å; K429-E433 PolarHBondContact NZ-OE1 3.39Å; K429-E433 IonicContact NZ-OE2 3.41Å; K429-E433 PolarHBondContact NZ-OE2 3.44Å; K429-E433 CarbonylContact O-C 3.56Å; K429-E433 WeakPolarHBondContact O-CA 3.44Å; K429-E433 WeakPolarHBondContact O-CB 3.46Å; K429-E433 PolarHBondContact O-N 2.63Å; K429-K434 PolarHBondContact O-N 3.46Å; K429-K434 VanDerWaalsContact O-N 3.16Å; K429-I466 HydrophobicContact CB-CG1 4.44Å; K429-I466 HydrophobicContact CG-CG1 4.19Å
430	D	82.2	Confident	86.7	Confident	47 Å²	47	51.4 Å²	51.4	25%	0.251	25%	0.252	S	S	.	.	H	α-helix	trans	-64.5	-42.4	174.5	-179	66.8	0	0	0	112	V426 H432 K434 V502	V426-D430 WeakPolarHBondContact O-CB 3.34Å; V426-D430 PolarHBondContact O-N 2.91Å; D430-H432 PolarHBondContact O-N 3.37Å; D430-K434 WeakPolarHBondContact O-CA 3.45Å; D430-K434 PolarHBondContact O-N 3.19Å; D430-V502 HydrophobicContact CB-CB 4.39Å; D430-V502 HydrophobicContact CB-CG1 3.59Å; D430-V502 HydrophobicContact CB-CG2 4.22Å; D430-V502 WeakPolarHBondContact OD2-CG1 3.23Å
431	L	79.8	Confident	86.6	Confident	69 Å²	69	55.2 Å²	55.2	36%	0.361	27%	0.27	S	S	.	.	H	α-helix	trans	-64.4	-40.2	-178.9	-175.7	67.8	0	0	0	112.9	P100 V101 G427 I428	P100-L431 HydrophobicContact CB-CD1 4.22Å; P100-L431 HydrophobicContact CG-CD1 3.8Å; P100-L431 HydrophobicContact CG-CD2 4.27Å; V101-L431 HydrophobicContact CB-CD2 4.1Å; G427-L431 VanDerWaalsContact O-CB 3.3Å; G427-L431 WeakPolarHBondContact O-CB 3.3Å; G427-L431 PolarHBondContact O-N 2.99Å; I428-L431 PolarHBondContact O-N 3.14Å
432	H	82.4	Confident	86.6	Confident	118 Å²	118	58.4 Å²	58.4	55%	0.546	29%	0.287	S	S	.	.	H	α-helix	trans	-96	-38.9	-173.8	-67.5	-179.7	0	0	0	113.6	I428 D430	I428-H432 WeakPolarHBondContact O-CB 3.49Å; I428-H432 PolarHBondContact O-N 3.11Å; D430-H432 PolarHBondContact O-N 3.37Å
433	E	84.8	Confident	86.8	Confident	103 Å²	103	57.5 Å²	57.5	48%	0.481	29%	0.287	S	S	.	.	H	α-helix	trans	-113.7	-9.9	-172.2	-59.3	171.9	-154.8	0	0	112.2	K429 V435	K429-E433 WeakPolarHBondContact CD-OE2 3.23Å; K429-E433 IonicContact NZ-OE1 3.57Å; K429-E433 PolarHBondContact NZ-OE1 3.39Å; K429-E433 IonicContact NZ-OE2 3.41Å; K429-E433 PolarHBondContact NZ-OE2 3.44Å; K429-E433 CarbonylContact O-C 3.56Å; K429-E433 WeakPolarHBondContact O-CA 3.44Å; K429-E433 WeakPolarHBondContact O-CB 3.46Å; K429-E433 PolarHBondContact O-N 2.63Å; E433-V435 HydrophobicContact CB-CG2 3.73Å; E433-V435 WeakPolarHBondContact O-CG2 3.44Å; E433-V435 PolarHBondContact O-N 3.26Å
434	K	82.9	Confident	87.1	Confident	182 Å²	182	59.8 Å²	59.8	79%	0.791	29%	0.293	S	S	*	.			trans	55.2	30.2	-175.3	-58	-178.1	-179.9	178.5	0	113.4	K429 D430	K429-K434 PolarHBondContact O-N 3.46Å; K429-K434 VanDerWaalsContact O-N 3.16Å; D430-K434 WeakPolarHBondContact O-CA 3.45Å; D430-K434 PolarHBondContact O-N 3.19Å
435	V	82.1	Confident	87.3	Confident	38 Å²	38	61.9 Å²	61.9	23%	0.23	30%	0.301	C	S	.	.			trans	-96.2	132.8	179.8	-171.7	0	0	0	0	109.7	E433 Q464 I466	E433-V435 HydrophobicContact CB-CG2 3.73Å; E433-V435 WeakPolarHBondContact O-CG2 3.44Å; E433-V435 PolarHBondContact O-N 3.26Å; V435-Q464 HydrophobicContact CG1-CB 4.47Å; V435-Q464 HydrophobicContact CG1-CG 4.43Å; V435-I466 HydrophobicContact CB-CD1 4.2Å; V435-I466 HydrophobicContact CG1-CD1 3.67Å
436	K	81	Confident	87.6	Confident	100 Å²	100	65.2 Å²	65.2	44%	0.435	32%	0.319	S	S	.	.			trans	-108.8	146.1	172.4	-66.2	-175.7	-179.9	177.4	0	109.5	Q464	K436-Q464 PolarHBondContact O-OE1 3.03Å
437	P	83.5	Confident	88.2	Confident	23 Å²	23	65.5 Å²	65.5	15%	0.149	32%	0.319	C	S	.	.			trans	-65.7	136.4	178.2	28.6	-34.8	0	0	0	110.5	V426 V440 D461 I468	V426-P437 HydrophobicContact CG2-CG 4.49Å; P437-V440 HydrophobicContact CB-CG2 4.18Å; P437-D461 HydrophobicContact CB-CB 4.09Å; P437-I468 HydrophobicContact CB-CD1 3.95Å; P437-I468 HydrophobicContact CG-CD1 3.91Å; P437-I468 HydrophobicContact CG-CG1 4.37Å
438	N	84.6	Confident	89	Confident	132 Å²	132	69 Å²	69	71%	0.706	34%	0.339	S	S	*	.	S	Bend	trans	-104.5	-38.9	179.6	-70.5	-24.6	0	0	0	111.7	D461 Q464	N438-D461 PolarHBondContact N-OD2 2.95Å; N438-Q464 PolarHBondContact ND2-NE2 3.23Å
439	Q	87.4	Confident	89.6	Confident	97 Å²	97	68.8 Å²	68.8	45%	0.453	34%	0.338	S	S	.	.	S	Bend	trans	-133.3	113	-176.8	177.7	171	-12.6	0	0	109.4	E441 D461	Q439-E441 HydrophobicContact CG-CG 4.44Å; Q439-E441 PolarHBondContact NE2-OE1 3.22Å; Q439-D461 PolarHBondContact N-OD2 2.98Å; Q439-D461 WeakPolarHBondContact O-CA 3.33Å; Q439-D461 WeakPolarHBondContact O-CB 3.13Å; Q439-D461 VanDerWaalsContact O-CG 3.27Å
440	V	90.4	Very high	90.1	Very high	50 Å²	50	67.8 Å²	67.8	30%	0.303	33%	0.334	S	S	.	.			trans	-105.7	123.5	-174	-179.5	0	0	0	0	110	P437 Y459 I468 F518	P437-V440 HydrophobicContact CB-CG2 4.18Å; V440-Y459 HydrophobicContact CG1-CD1 3.79Å; V440-Y459 HydrophobicContact CG1-CG 4.31Å; V440-I468 HydrophobicContact CB-CD1 4.06Å; V440-I468 HydrophobicContact CG1-CD1 3.62Å; V440-I468 HydrophobicContact CG2-CD1 3.24Å; V440-F518 HydrophobicContact CG1-CE1 3.93Å; V440-F518 HydrophobicContact CG1-CZ 4.15Å
441	E	93.8	Very high	90.5	Very high	79 Å²	79	68.4 Å²	68.4	37%	0.369	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	150.5	-178.7	-65.5	178.4	-166.8	0	0	110.9	Q439 Y459 E460	Q439-E441 HydrophobicContact CG-CG 4.44Å; Q439-E441 PolarHBondContact NE2-OE1 3.22Å; E441-Y459 WeakPolarHBondContact O-CA 3.38Å; E441-E460 PolarHBondContact N-O 3.03Å; E441-E460 PolarHBondContact O-N 2.99Å
442	L	96.1	Very high	91.2	Very high	70 Å²	70	65.4 Å²	65.4	37%	0.366	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	118.8	169.1	176.9	66.7	0	0	0	108.6	Y459 L522 E525	L442-Y459 HydrophobicContact CB-CD1 4.28Å; L442-Y459 HydrophobicContact CB-CE1 3.79Å; L442-Y459 HydrophobicContact CD1-CD2 4.46Å; L442-Y459 HydrophobicContact CD1-CE1 4.44Å; L442-Y459 HydrophobicContact CD1-CE2 4.15Å; L442-L522 HydrophobicContact CD1-CD2 4.1Å; L442-E525 HydrophobicContact CD2-CB 4.48Å; L442-E525 HydrophobicContact CD2-CG 4.02Å
443	V	97.2	Very high	91.9	Very high	31 Å²	31	63.6 Å²	63.6	19%	0.188	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.2	178.3	-179.4	0	0	0	0	109.7	S458 E460	V443-S458 PolarHBondContact N-O 3.02Å; V443-S458 PolarHBondContact O-N 3.36Å; V443-S458 PolarHBondContact O-OG 3.27Å; V443-E460 HydrophobicContact CB-CG 3.86Å; V443-E460 HydrophobicContact CG2-CG 3.44Å; V443-E460 VanDerWaalsContact CG2-CG 3.44Å; V443-E460 WeakPolarHBondContact CG2-OE1 3.26Å
444	R	97.8	Very high	92.5	Very high	71 Å²	71	58.7 Å²	58.7	27%	0.268	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.3	178.4	174.5	174.9	169.6	176.9	-4.6	110.5	D446 T455 L457 E533	R444-D446 IonicContact CZ-OD1 2.62Å; R444-D446 IonicContact CZ-OD2 2.69Å; R444-D446 VanDerWaalsContact CZ-OD2 3.25Å; R444-D446 IonicContact NE-OD1 3.44Å; R444-D446 PolarHBondContact NE-OD1 3.05Å; R444-D446 IonicContact NE-OD2 3Å; R444-D446 PolarHBondContact NE-OD2 3.38Å; R444-D446 IonicContact NH2-OD1 2.8Å; R444-D446 IonicContact NH2-OD2 3.04Å; R444-D446 PolarHBondContact NH2-OD2 3.38Å; R444-T455 HydrophobicContact CG-CG2 4.03Å; R444-L457 HydrophobicContact CB-CD2 3.84Å; R444-L457 HydrophobicContact CG-CD2 3.83Å; R444-E533 IonicContact CZ-OE1 3.97Å; R444-E533 IonicContact CZ-OE2 2.69Å; R444-E533 IonicContact NH1-OE1 2.68Å; R444-E533 PolarHBondContact NH1-OE1 3.34Å; R444-E533 IonicContact NH1-OE2 2.93Å; R444-E533 PolarHBondContact NH1-OE2 3.4Å; R444-E533 IonicContact NH2-OE2 2.85Å; R444-E533 PolarHBondContact NH2-OE2 3.27Å
445	R	98.2	Very high	93.3	Very high	45 Å²	45	50 Å²	50	17%	0.17	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	120.7	174.5	-61.8	175.8	178.5	90	1.9	109.2	F456 S458 E460	R445-F456 HydrophobicContact CB-CB 4.4Å; R445-F456 PolarHBondContact N-O 3.46Å; R445-F456 PolarHBondContact O-N 3.13Å; R445-S458 PolarHBondContact NH1-OG 3.1Å; R445-E460 IonicContact CZ-OE1 2.63Å; R445-E460 IonicContact CZ-OE2 3.26Å; R445-E460 IonicContact NH1-OE1 3.8Å; R445-E460 PolarHBondContact NH1-OE1 2.8Å; R445-E460 IonicContact NH1-OE2 3.91Å; R445-E460 PolarHBondContact NH1-OE2 2.8Å; R445-E460 IonicContact NH2-OE1 3.72Å; R445-E460 PolarHBondContact NH2-OE1 2.62Å; R445-E460 IonicContact NH2-OE2 3.61Å; R445-E460 PolarHBondContact NH2-OE2 3.39Å
446	D	98.2	Very high	94.1	Very high	73 Å²	73	48.2 Å²	48.2	39%	0.39	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139	178.5	-69.5	-50.6	0	0	0	110.7	R444 W453 E454 T455	R444-D446 IonicContact CZ-OD1 2.62Å; R444-D446 IonicContact CZ-OD2 2.69Å; R444-D446 VanDerWaalsContact CZ-OD2 3.25Å; R444-D446 IonicContact NE-OD1 3.44Å; R444-D446 PolarHBondContact NE-OD1 3.05Å; R444-D446 IonicContact NE-OD2 3Å; R444-D446 PolarHBondContact NE-OD2 3.38Å; R444-D446 IonicContact NH2-OD1 2.8Å; R444-D446 IonicContact NH2-OD2 3.04Å; R444-D446 PolarHBondContact NH2-OD2 3.38Å; D446-W453 PolarHBondContact OD1-NE1 2.87Å; D446-E454 WeakPolarHBondContact CA-O 3.44Å; D446-T455 WeakPolarHBondContact OD1-CA 3.45Å; D446-T455 VanDerWaalsContact OD1-CB 3.26Å; D446-T455 WeakPolarHBondContact OD1-CB 3.22Å; D446-T455 WeakPolarHBondContact OD1-CG2 3.45Å; D446-T455 PolarHBondContact OD1-OG1 3.07Å
447	Y	98	Very high	94.9	Very high	12 Å²	12	43.5 Å²	43.5	5%	0.047	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	149.7	175.2	60.5	-85.1	0	0	0	111.3	R331 W379 A449 E454 F456	R331-Y447 HydrophobicContact CB-CE2 4.49Å; W379-Y447 HydrophobicContact CB-CE1 4.03Å; W379-Y447 AromaticContact CD1-CE1 3.84Å; W379-Y447 AromaticContact CD1-CZ 3.63Å; W379-Y447 AromaticContact CD2-CD1 3.9Å; W379-Y447 HydrophobicContact CD2-CD1 3.9Å; W379-Y447 AromaticContact CD2-CE1 3.79Å; W379-Y447 HydrophobicContact CD2-CE1 3.79Å; W379-Y447 HydrophobicContact CE3-CD1 4.18Å; W379-Y447 HydrophobicContact CE3-CE1 4.37Å; W379-Y447 HydrophobicContact CG-CD1 4.23Å; W379-Y447 AromaticContact CG-CE1 3.61Å; W379-Y447 HydrophobicContact CG-CE1 3.61Å; W379-Y447 AromaticContact CG-CZ 3.88Å; W379-Y447 HydrophobicContact CZ2-CD1 4.47Å; W379-Y447 HydrophobicContact CZ2-CG 4.35Å; W379-Y447 AromaticContact NE1-CZ 3.91Å; Y447-A449 HydrophobicContact CD2-CB 4.08Å; Y447-A449 HydrophobicContact CE2-CB 3.98Å; Y447-E454 HydrophobicContact CD1-CB 4.12Å; Y447-E454 HydrophobicContact CD2-CB 3.83Å; Y447-E454 HydrophobicContact CD2-CG 4.16Å; Y447-E454 HydrophobicContact CE1-CB 3.76Å; Y447-E454 HydrophobicContact CE2-CB 3.45Å; Y447-E454 VanDerWaalsContact CE2-CB 3.45Å; Y447-E454 HydrophobicContact CE2-CG 3.58Å; Y447-E454 HydrophobicContact CG-CB 4.15Å; Y447-E454 VanDerWaalsContact CZ-CB 3.41Å; Y447-E454 PolarHBondContact N-O 2.99Å; Y447-E454 WeakPolarHBondContact O-CB 3.4Å; Y447-E454 PolarHBondContact O-N 2.96Å; Y447-F456 HydrophobicContact CE1-CB 4.2Å
448	V	97.2	Very high	95.6	Very high	80 Å²	80	42.4 Å²	42.4	49%	0.485	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	132.3	171.5	-179.7	0	0	0	0	108.8	P328 R331 G452	P328-V448 HydrophobicContact CB-CG1 4.15Å; R331-V448 WeakPolarHBondContact CD-O 3.48Å; R331-V448 PolarHBondContact NH1-O 2.89Å; V448-G452 WeakPolarHBondContact CA-O 3.11Å
449	A	97.4	Very high	96.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	126.7	171.4	0	0	0	0	0	110.5	K295 P328 R331 Y447 G451 G452 E454 R474	K295-A449 HydrophobicContact CD-CB 4.3Å; P328-A449 CarbonylContact O-C 3.51Å; P328-A449 WeakPolarHBondContact O-CA 3.38Å; R331-A449 HydrophobicContact CB-CB 3.96Å; Y447-A449 HydrophobicContact CD2-CB 4.08Å; Y447-A449 HydrophobicContact CE2-CB 3.98Å; A449-G451 PolarHBondContact O-N 3.01Å; A449-G452 PolarHBondContact N-O 3.04Å; A449-G452 PolarHBondContact O-N 2.82Å; A449-E454 HydrophobicContact CB-CG 3.88Å; A449-R474 PolarHBondContact O-NH1 3.14Å; A449-R474 PolarHBondContact O-NH2 3.26Å
450	N	96.7	Very high	96.4	Very high	4 Å²	4	33 Å²	33	2%	0.021	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	56	175.7	-53.1	94.7	0	0	0	111.8	C288 F291 H292 K295 P328 D329 F330 G452 R474	C288-N450 PolarHBondContact O-ND2 3.38Å; F291-N450 VanDerWaalsContact CB-ND2 3.3Å; F291-N450 WeakPolarHBondContact CB-ND2 3.32Å; H292-N450 HydrophobicContact CB-CB 3.82Å; H292-N450 PolarHBondContact CD2-O 2.79Å; H292-N450 PolarHBondContact NE2-O 3.06Å; H292-N450 VanDerWaalsContact NE2-O 3.11Å; K295-N450 PolarHBondContact NZ-OD1 3.44Å; P328-N450 PolarHBondContact O-N 3.4Å; D329-N450 PolarHBondContact O-ND2 3.02Å; F330-N450 PolarHBondContact O-OD1 3.08Å; N450-G452 PolarHBondContact O-N 2.78Å; N450-R474 PolarHBondContact O-NH2 3.34Å
451	G	91.6	Very high	96.5	Very high	60 Å²	60	30.7 Å²	30.7	62%	0.619	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	0.8	179.9	0	0	0	0	0	117	A449	A449-G451 PolarHBondContact O-N 3.01Å
452	G	93.8	Very high	96.4	Very high	6 Å²	6	29.2 Å²	29.2	6%	0.062	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	163	177.6	0	0	0	0	0	113.2	V448 A449 N450	V448-G452 WeakPolarHBondContact CA-O 3.11Å; A449-G452 PolarHBondContact N-O 3.04Å; A449-G452 PolarHBondContact O-N 2.82Å; N450-G452 PolarHBondContact O-N 2.78Å
453	W	96.8	Very high	96.1	Very high	80 Å²	80	32.2 Å²	32.2	30%	0.303	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	114.4	174.9	176.7	9.1	0	0	0	108.9	D446 T455 R474 K475 E533 H534	D446-W453 PolarHBondContact OD1-NE1 2.87Å; W453-T455 PolarHBondContact NE1-OG1 3.34Å; W453-R474 VanDerWaalsContact O-CA 3.31Å; W453-R474 WeakPolarHBondContact O-CA 3.43Å; W453-K475 HydrophobicContact CB-CB 4.18Å; W453-K475 HydrophobicContact CE3-CD 4.35Å; W453-K475 PolarHBondContact O-N 2.84Å; W453-E533 HydrophobicContact CH2-CB 4.09Å; W453-H534 AromaticContact CD2-NE2 3.72Å; W453-H534 AromaticContact CE2-NE2 3.97Å; W453-H534 AromaticContact CE3-CD2 3.47Å; W453-H534 VanDerWaalsContact CE3-CD2 3.47Å; W453-H534 AromaticContact CE3-NE2 3.68Å; W453-H534 AromaticContact CH2-CD2 3.89Å; W453-H534 AromaticContact CZ3-CD2 3.4Å; W453-H534 WeakPolarHBondContact CZ3-CD2 3.44Å; W453-H534 AromaticContact CZ3-NE2 3.95Å
454	E	98.4	Very high	95.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.9	171.7	-62.3	-73.9	162.5	0	0	110.4	K295 D446 Y447 A449 L473 R474 R494	K295-E454 WeakPolarHBondContact CD-OE1 3.3Å; D446-E454 WeakPolarHBondContact CA-O 3.44Å; Y447-E454 HydrophobicContact CD1-CB 4.12Å; Y447-E454 HydrophobicContact CD2-CB 3.83Å; Y447-E454 HydrophobicContact CD2-CG 4.16Å; Y447-E454 HydrophobicContact CE1-CB 3.76Å; Y447-E454 HydrophobicContact CE2-CB 3.45Å; Y447-E454 VanDerWaalsContact CE2-CB 3.45Å; Y447-E454 HydrophobicContact CE2-CG 3.58Å; Y447-E454 HydrophobicContact CG-CB 4.15Å; Y447-E454 VanDerWaalsContact CZ-CB 3.41Å; Y447-E454 PolarHBondContact N-O 2.99Å; Y447-E454 WeakPolarHBondContact O-CB 3.4Å; Y447-E454 PolarHBondContact O-N 2.96Å; A449-E454 HydrophobicContact CB-CG 3.88Å; E454-L473 WeakPolarHBondContact CA-O 3.29Å; E454-R474 WeakPolarHBondContact OE1-CD 3.38Å; E454-R474 WeakPolarHBondContact OE1-CG 3.48Å; E454-R474 IonicContact OE1-CZ 3.8Å; E454-R474 IonicContact OE1-NE 3.56Å; E454-R474 IonicContact OE1-NH1 2.73Å; E454-R474 PolarHBondContact OE1-NH1 3.32Å; E454-R494 IonicContact OE1-CZ 3.25Å; E454-R494 IonicContact OE1-NE 3.41Å; E454-R494 IonicContact OE1-NH1 3.94Å; E454-R494 PolarHBondContact OE1-NH1 2.92Å; E454-R494 VanDerWaalsContact OE1-NH1 3.08Å; E454-R494 IonicContact OE2-CZ 2.85Å; E454-R494 IonicContact OE2-NH1 2.8Å; E454-R494 PolarHBondContact OE2-NH1 3.41Å
455	T	98.6	Very high	95.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	115.7	173.4	-61.9	0	0	0	0	108	R444 D446 W453 L457 L473 I529	R444-T455 HydrophobicContact CG-CG2 4.03Å; D446-T455 WeakPolarHBondContact OD1-CA 3.45Å; D446-T455 VanDerWaalsContact OD1-CB 3.26Å; D446-T455 WeakPolarHBondContact OD1-CB 3.22Å; D446-T455 WeakPolarHBondContact OD1-CG2 3.45Å; D446-T455 PolarHBondContact OD1-OG1 3.07Å; W453-T455 PolarHBondContact NE1-OG1 3.34Å; T455-L457 HydrophobicContact CG2-CD2 3.84Å; T455-L457 HydrophobicContact CG2-CG 4.03Å; T455-L473 PolarHBondContact N-O 3.01Å; T455-L473 PolarHBondContact O-N 2.83Å; T455-I529 HydrophobicContact CG2-CD1 4.02Å
456	F	98.6	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	106.6	172.9	-176.9	-94	0	0	0	109.3	W379 V421 R445 Y447 L470 R472	W379-F456 HydrophobicContact CB-CB 4.03Å; W379-F456 HydrophobicContact CB-CD1 4.21Å; W379-F456 HydrophobicContact CB-CD2 3.66Å; W379-F456 HydrophobicContact CB-CE2 4.12Å; W379-F456 HydrophobicContact CB-CG 3.7Å; V421-F456 HydrophobicContact CG2-CZ 4.3Å; R445-F456 HydrophobicContact CB-CB 4.4Å; R445-F456 PolarHBondContact N-O 3.46Å; R445-F456 PolarHBondContact O-N 3.13Å; Y447-F456 HydrophobicContact CE1-CB 4.2Å; F456-L470 HydrophobicContact CE2-CB 3.86Å; F456-L470 HydrophobicContact CE2-CD1 4.17Å; F456-L470 HydrophobicContact CE2-CD2 4.2Å; F456-L470 HydrophobicContact CE2-CG 4.29Å; F456-L470 HydrophobicContact CZ-CB 3.71Å; F456-L470 HydrophobicContact CZ-CD2 4.18Å; F456-L470 HydrophobicContact CZ-CG 4.42Å; F456-R472 HydrophobicContact CD2-CG 4.23Å
457	L	98.4	Very high	95	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	140.1	172.6	-59.1	177.4	0	0	0	109.3	R444 T455 L470 L471 L522 E525 A526 I529	R444-L457 HydrophobicContact CB-CD2 3.84Å; R444-L457 HydrophobicContact CG-CD2 3.83Å; T455-L457 HydrophobicContact CG2-CD2 3.84Å; T455-L457 HydrophobicContact CG2-CG 4.03Å; L457-L470 CarbonylContact O-C 3.57Å; L457-L470 WeakPolarHBondContact O-CA 3.18Å; L457-L471 HydrophobicContact CB-CB 4.31Å; L457-L471 HydrophobicContact CD1-CD2 4.21Å; L457-L471 PolarHBondContact N-O 3.42Å; L457-L471 PolarHBondContact O-N 3.23Å; L457-L522 HydrophobicContact CB-CD2 3.81Å; L457-E525 HydrophobicContact CD1-CB 4.11Å; L457-E525 HydrophobicContact CD1-CG 3.76Å; L457-E525 HydrophobicContact CD2-CG 4.24Å; L457-A526 HydrophobicContact CD1-CB 4.29Å; L457-I529 HydrophobicContact CD1-CD1 4.1Å; L457-I529 HydrophobicContact CD2-CD1 3.78Å; L457-I529 HydrophobicContact CG-CD1 4.4Å
458	S	97.3	Very high	94.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	141.7	177.7	48.1	0	0	0	0	111.9	V443 R445 E460 G469	V443-S458 PolarHBondContact N-O 3.02Å; V443-S458 PolarHBondContact O-N 3.36Å; V443-S458 PolarHBondContact O-OG 3.27Å; R445-S458 PolarHBondContact NH1-OG 3.1Å; S458-E460 PolarHBondContact OG-OE2 2.93Å; S458-G469 CarbonylContact C-O 3.58Å; S458-G469 WeakPolarHBondContact CA-O 3.29Å; S458-G469 WeakPolarHBondContact CB-O 3.35Å
459	Y	95.7	Very high	94.5	Very high	27 Å²	27	21.7 Å²	21.7	11%	0.106	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.9	159	-82.4	-73.9	0	0	0	108.6	V440 E441 L442 I468 G469 F518 L521 L522	V440-Y459 HydrophobicContact CG1-CD1 3.79Å; V440-Y459 HydrophobicContact CG1-CG 4.31Å; E441-Y459 WeakPolarHBondContact O-CA 3.38Å; L442-Y459 HydrophobicContact CB-CD1 4.28Å; L442-Y459 HydrophobicContact CB-CE1 3.79Å; L442-Y459 HydrophobicContact CD1-CD2 4.46Å; L442-Y459 HydrophobicContact CD1-CE1 4.44Å; L442-Y459 HydrophobicContact CD1-CE2 4.15Å; Y459-I468 WeakPolarHBondContact O-CB 3.39Å; Y459-I468 PolarHBondContact O-N 3.13Å; Y459-G469 PolarHBondContact N-O 3.48Å; Y459-G469 PolarHBondContact O-N 3.3Å; Y459-F518 AromaticContact CD1-CD1 3.95Å; Y459-F518 HydrophobicContact CD1-CD1 3.95Å; Y459-F518 AromaticContact CD1-CE1 3.98Å; Y459-F518 HydrophobicContact CD1-CE1 3.98Å; Y459-F518 HydrophobicContact CD2-CB 4.08Å; Y459-F518 AromaticContact CD2-CD1 3.49Å; Y459-F518 HydrophobicContact CD2-CD1 3.49Å; Y459-F518 VanDerWaalsContact CD2-CD1 3.49Å; Y459-F518 HydrophobicContact CD2-CE1 4.34Å; Y459-F518 HydrophobicContact CD2-CG 4.19Å; Y459-F518 HydrophobicContact CE1-CD1 4.24Å; Y459-F518 HydrophobicContact CE1-CE1 4.34Å; Y459-F518 AromaticContact CE2-CD1 3.83Å; Y459-F518 HydrophobicContact CE2-CD1 3.83Å; Y459-F518 AromaticContact CG-CD1 3.54Å; Y459-F518 HydrophobicContact CG-CD1 3.54Å; Y459-F518 AromaticContact CG-CE1 3.96Å; Y459-F518 HydrophobicContact CG-CE1 3.96Å; Y459-F518 HydrophobicContact CG-CG 4.44Å; Y459-L521 HydrophobicContact CE2-CB 3.8Å; Y459-L521 HydrophobicContact CE2-CD1 4.34Å; Y459-L521 WeakPolarHBondContact OH-CB 3.42Å; Y459-L521 WeakPolarHBondContact OH-CD1 3.23Å; Y459-L522 HydrophobicContact CD2-CD1 4.32Å; Y459-L522 HydrophobicContact CD2-CD2 3.92Å; Y459-L522 HydrophobicContact CD2-CG 3.83Å; Y459-L522 HydrophobicContact CE2-CD2 4.13Å; Y459-L522 HydrophobicContact CE2-CG 3.97Å
460	E	94.1	Very high	94.5	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.019	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	156.9	-176.7	58	-176.4	-137.2	0	0	112.1	R424 E441 V443 R445 S458 P462 I466 L467	R424-E460 IonicContact CZ-OE2 2.79Å; R424-E460 IonicContact NH1-OE2 3.62Å; R424-E460 VanDerWaalsContact NH2-CD 3.29Å; R424-E460 IonicContact NH2-OE1 3.75Å; R424-E460 IonicContact NH2-OE2 3.08Å; R424-E460 PolarHBondContact NH2-OE2 2.73Å; E441-E460 PolarHBondContact N-O 3.03Å; E441-E460 PolarHBondContact O-N 2.99Å; V443-E460 HydrophobicContact CB-CG 3.86Å; V443-E460 HydrophobicContact CG2-CG 3.44Å; V443-E460 VanDerWaalsContact CG2-CG 3.44Å; V443-E460 WeakPolarHBondContact CG2-OE1 3.26Å; R445-E460 IonicContact CZ-OE1 2.63Å; R445-E460 IonicContact CZ-OE2 3.26Å; R445-E460 IonicContact NH1-OE1 3.8Å; R445-E460 PolarHBondContact NH1-OE1 2.8Å; R445-E460 IonicContact NH1-OE2 3.91Å; R445-E460 PolarHBondContact NH1-OE2 2.8Å; R445-E460 IonicContact NH2-OE1 3.72Å; R445-E460 PolarHBondContact NH2-OE1 2.62Å; R445-E460 IonicContact NH2-OE2 3.61Å; R445-E460 PolarHBondContact NH2-OE2 3.39Å; S458-E460 PolarHBondContact OG-OE2 2.93Å; E460-P462 WeakPolarHBondContact O-CD 3.29Å; E460-I466 CarbonylContact C-O 3.56Å; E460-I466 WeakPolarHBondContact CA-O 3.32Å; E460-I466 VanDerWaalsContact CB-O 3.24Å; E460-I466 WeakPolarHBondContact CB-O 3.4Å; E460-L467 HydrophobicContact CB-CD1 4.41Å
461	D	93.3	Very high	94.6	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.011	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	104.7	161.8	-173.2	-46.2	0	0	0	107.5	P437 N438 Q439 I463 Q464 D465 I466	P437-D461 HydrophobicContact CB-CB 4.09Å; N438-D461 PolarHBondContact N-OD2 2.95Å; Q439-D461 PolarHBondContact N-OD2 2.98Å; Q439-D461 WeakPolarHBondContact O-CA 3.33Å; Q439-D461 WeakPolarHBondContact O-CB 3.13Å; Q439-D461 VanDerWaalsContact O-CG 3.27Å; D461-I463 VanDerWaalsContact C-N 3.28Å; D461-I463 PolarHBondContact O-N 3.01Å; D461-I463 PolarHBondContact OD1-N 2.96Å; D461-I463 VanDerWaalsContact OD1-N 3.09Å; D461-Q464 HydrophobicContact CB-CB 4.38Å; D461-Q464 PolarHBondContact OD1-N 3.05Å; D461-Q464 PolarHBondContact OD2-OE1 3.11Å; D461-Q464 VanDerWaalsContact OD2-OE1 3.1Å; D461-D465 WeakPolarHBondContact O-CA 3.43Å; D461-D465 PolarHBondContact O-N 2.97Å; D461-I466 HydrophobicContact CB-CB 4.15Å; D461-I466 PolarHBondContact N-O 2.7Å; D461-I466 PolarHBondContact O-N 3.2Å
462	P	90.9	Very high	95	Very high	49 Å²	49	18.9 Å²	18.9	32%	0.318	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-25.1	-174.1	27.3	-34.2	0	0	0	112.8	E460	E460-P462 WeakPolarHBondContact O-CD 3.29Å
463	I	90.8	Very high	95.2	Very high	133 Å²	133	18.6 Å²	18.6	68%	0.682	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-46.2	-179.2	-60	176.2	0	0	0	109.6	D461	D461-I463 VanDerWaalsContact C-N 3.28Å; D461-I463 PolarHBondContact O-N 3.01Å; D461-I463 PolarHBondContact OD1-N 2.96Å; D461-I463 VanDerWaalsContact OD1-N 3.09Å
464	Q	90	Very high	95.3	Very high	55 Å²	55	14.8 Å²	14.8	26%	0.257	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.8	-179.1	-60.1	-176.4	-51.1	0	0	113.3	V435 K436 N438 D461 I466	V435-Q464 HydrophobicContact CG1-CB 4.47Å; V435-Q464 HydrophobicContact CG1-CG 4.43Å; K436-Q464 PolarHBondContact O-OE1 3.03Å; N438-Q464 PolarHBondContact ND2-NE2 3.23Å; D461-Q464 HydrophobicContact CB-CB 4.38Å; D461-Q464 PolarHBondContact OD1-N 3.05Å; D461-Q464 PolarHBondContact OD2-OE1 3.11Å; D461-Q464 VanDerWaalsContact OD2-OE1 3.1Å; Q464-I466 HydrophobicContact CB-CD1 3.69Å; Q464-I466 HydrophobicContact CB-CG1 3.78Å
465	D	92.5	Very high	95.2	Very high	22 Å²	22	18.9 Å²	18.9	12%	0.118	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	47	-175.9	-156.6	31.2	0	0	0	112.6	R419 R424 D461	R419-D465 IonicContact CZ-OD1 2.78Å; R419-D465 IonicContact NE-OD1 3.7Å; R419-D465 IonicContact NE-OD2 2.81Å; R419-D465 PolarHBondContact NE-OD2 2.73Å; R419-D465 IonicContact NH2-OD1 2.73Å; R419-D465 PolarHBondContact NH2-OD1 3.27Å; R419-D465 IonicContact NH2-OD2 3.61Å; R424-D465 WeakPolarHBondContact CB-O 3.15Å; R424-D465 WeakPolarHBondContact CG-O 3.12Å; R424-D465 IonicContact CZ-OD1 3.66Å; R424-D465 VanDerWaalsContact CZ-OD1 3.25Å; R424-D465 VanDerWaalsContact NE-CG 3.32Å; R424-D465 IonicContact NE-OD1 3.78Å; R424-D465 PolarHBondContact NE-OD1 3.06Å; R424-D465 IonicContact NE-OD2 3.02Å; R424-D465 IonicContact NH2-OD1 3.51Å; R424-D465 PolarHBondContact NH2-OD1 3.23Å; D461-D465 WeakPolarHBondContact O-CA 3.43Å; D461-D465 PolarHBondContact O-N 2.97Å
466	I	92.4	Very high	94.9	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	131	-178.1	-55.4	176.4	0	0	0	110.3	R424 V426 K429 V435 E460 D461 Q464	R424-I466 CarbonylContact O-C 2.96Å; R424-I466 WeakPolarHBondContact O-CA 3.29Å; V426-I466 HydrophobicContact CB-CG2 3.86Å; V426-I466 HydrophobicContact CG2-CG2 4.15Å; K429-I466 HydrophobicContact CB-CG1 4.44Å; K429-I466 HydrophobicContact CG-CG1 4.19Å; V435-I466 HydrophobicContact CB-CD1 4.2Å; V435-I466 HydrophobicContact CG1-CD1 3.67Å; E460-I466 CarbonylContact C-O 3.56Å; E460-I466 WeakPolarHBondContact CA-O 3.32Å; E460-I466 VanDerWaalsContact CB-O 3.24Å; E460-I466 WeakPolarHBondContact CB-O 3.4Å; D461-I466 HydrophobicContact CB-CB 4.15Å; D461-I466 PolarHBondContact N-O 2.7Å; D461-I466 PolarHBondContact O-N 3.2Å; Q464-I466 HydrophobicContact CB-CD1 3.69Å; Q464-I466 HydrophobicContact CB-CG1 3.78Å
467	L	93.4	Very high	94.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.9	179.1	-177	66.8	0	0	0	111.1	V421 R424 V426 E460 L470 Y499	V421-L467 HydrophobicContact CB-CD2 4.4Å; V421-L467 HydrophobicContact CG1-CD2 3.8Å; V421-L467 HydrophobicContact CG2-CD2 4.46Å; R424-L467 HydrophobicContact CB-CB 4.03Å; R424-L467 PolarHBondContact O-N 3.46Å; V426-L467 PolarHBondContact N-O 3.16Å; E460-L467 HydrophobicContact CB-CD1 4.41Å; L467-L470 HydrophobicContact CD2-CD2 3.94Å; L467-Y499 HydrophobicContact CD2-CE2 3.86Å; L467-Y499 HydrophobicContact CG-CD2 4.48Å; L467-Y499 HydrophobicContact CG-CE2 4.05Å
468	I	91.8	Very high	94.4	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.062	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-41.6	-177.2	-64	169.7	0	0	0	111.2	P437 V440 Y459 Y499 F518	P437-I468 HydrophobicContact CB-CD1 3.95Å; P437-I468 HydrophobicContact CG-CD1 3.91Å; P437-I468 HydrophobicContact CG-CG1 4.37Å; V440-I468 HydrophobicContact CB-CD1 4.06Å; V440-I468 HydrophobicContact CG1-CD1 3.62Å; V440-I468 HydrophobicContact CG2-CD1 3.24Å; Y459-I468 WeakPolarHBondContact O-CB 3.39Å; Y459-I468 PolarHBondContact O-N 3.13Å; I468-Y499 WeakPolarHBondContact O-CB 3.41Å; I468-Y499 WeakPolarHBondContact O-CD2 3.07Å; I468-Y499 PolarHBondContact O-N 3.39Å; I468-F518 HydrophobicContact CG2-CD2 3.81Å; I468-F518 HydrophobicContact CG2-CE2 3.77Å; I468-F518 HydrophobicContact CG2-CG 4.43Å; I468-F518 HydrophobicContact CG2-CZ 4.35Å
469	G	93	Very high	94.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	157.7	176	0	0	0	0	0	111.4	S458 Y459 H497	S458-G469 CarbonylContact C-O 3.58Å; S458-G469 WeakPolarHBondContact CA-O 3.29Å; S458-G469 WeakPolarHBondContact CB-O 3.35Å; Y459-G469 PolarHBondContact N-O 3.48Å; Y459-G469 PolarHBondContact O-N 3.3Å; G469-H497 CarbonylContact C-O 3.5Å; G469-H497 WeakPolarHBondContact CA-O 3.47Å
470	L	97.5	Very high	93.9	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	154.3	179.4	67.3	88.4	0	0	0	111.5	V421 F456 L457 L467 E495 H497 Y499	V421-L470 HydrophobicContact CG1-CD2 3.77Å; F456-L470 HydrophobicContact CE2-CB 3.86Å; F456-L470 HydrophobicContact CE2-CD1 4.17Å; F456-L470 HydrophobicContact CE2-CD2 4.2Å; F456-L470 HydrophobicContact CE2-CG 4.29Å; F456-L470 HydrophobicContact CZ-CB 3.71Å; F456-L470 HydrophobicContact CZ-CD2 4.18Å; F456-L470 HydrophobicContact CZ-CG 4.42Å; L457-L470 CarbonylContact O-C 3.57Å; L457-L470 WeakPolarHBondContact O-CA 3.18Å; L467-L470 HydrophobicContact CD2-CD2 3.94Å; L470-E495 HydrophobicContact CD1-CB 4.47Å; L470-E495 HydrophobicContact CD1-CG 3.92Å; L470-H497 HydrophobicContact CD1-CB 4.15Å; L470-H497 HydrophobicContact CG-CB 4.07Å; L470-H497 PolarHBondContact N-O 3.03Å; L470-H497 PolarHBondContact O-N 3.46Å; L470-Y499 HydrophobicContact CD2-CE2 4.23Å
471	L	98.5	Very high	93.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	138.4	169.4	-178.2	153.7	0	0	0	109.7	L457 L473 V493 E495 L496 L522 M523 A526	L457-L471 HydrophobicContact CB-CB 4.31Å; L457-L471 HydrophobicContact CD1-CD2 4.21Å; L457-L471 PolarHBondContact N-O 3.42Å; L457-L471 PolarHBondContact O-N 3.23Å; L471-L473 HydrophobicContact CD2-CB 3.77Å; L471-V493 HydrophobicContact CD1-CG1 3.96Å; L471-V493 HydrophobicContact CD1-CG2 4.49Å; L471-V493 HydrophobicContact CD2-CG1 4.18Å; L471-V493 HydrophobicContact CD2-CG2 4.46Å; L471-V493 HydrophobicContact CG-CG1 3.87Å; L471-E495 CarbonylContact C-O 3.57Å; L471-E495 VanDerWaalsContact CA-O 3.23Å; L471-E495 WeakPolarHBondContact CA-O 3.14Å; L471-L496 HydrophobicContact CB-CD1 4.29Å; L471-L496 HydrophobicContact CD1-CD1 4.23Å; L471-L522 HydrophobicContact CB-CB 4.12Å; L471-L522 HydrophobicContact CB-CD1 4.42Å; L471-L522 HydrophobicContact CB-CD2 4.31Å; L471-L522 HydrophobicContact CD1-CB 4.11Å; L471-M523 HydrophobicContact CD1-CG 4.36Å; L471-M523 HydrophobicContact CD1-SD 3.59Å; L471-M523 VanDerWaalsContact CD1-SD 3.59Å; L471-A526 HydrophobicContact CD1-CB 3.76Å; L471-A526 HydrophobicContact CD2-CB 3.73Å; L471-A526 HydrophobicContact CG-CB 4.45Å
472	R	98.7	Very high	94.1	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113.4	172.9	-63	175.9	-169.6	-80.2	-13.1	109.3	D333 W379 F456 V493 R494 E495	D333-R472 IonicContact OD1-CZ 3.19Å; D333-R472 IonicContact OD1-NE 3.39Å; D333-R472 IonicContact OD1-NH1 2.9Å; D333-R472 PolarHBondContact OD1-NH1 3.45Å; W379-R472 VanDerWaalsContact O-CZ 3.25Å; W379-R472 PolarHBondContact O-NH1 3.39Å; W379-R472 PolarHBondContact O-NH2 3Å; F456-R472 HydrophobicContact CD2-CG 4.23Å; R472-V493 CarbonylContact O-C 3.54Å; R472-V493 WeakPolarHBondContact O-CA 3.27Å; R472-R494 HydrophobicContact CB-CB 4.01Å; R472-R494 PolarHBondContact O-N 2.8Å; R472-E495 HydrophobicContact CB-CB 4.14Å; R472-E495 HydrophobicContact CG-CB 4.03Å; R472-E495 IonicContact CZ-OE2 3.62Å; R472-E495 PolarHBondContact N-O 3.36Å; R472-E495 IonicContact NE-OE2 3.58Å; R472-E495 PolarHBondContact NE-OE2 3.3Å; R472-E495 IonicContact NH2-OE2 3.24Å
473	L	98.7	Very high	94.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.9	175.7	179.5	69.8	0	0	0	108.8	E454 T455 L471 V493 A526 I529 I539	E454-L473 WeakPolarHBondContact CA-O 3.29Å; T455-L473 PolarHBondContact N-O 3.01Å; T455-L473 PolarHBondContact O-N 2.83Å; L471-L473 HydrophobicContact CD2-CB 3.77Å; L473-V493 HydrophobicContact CD1-CG2 3.96Å; L473-A526 HydrophobicContact CD1-CB 4.48Å; L473-A526 HydrophobicContact CD2-CB 4.37Å; L473-I529 HydrophobicContact CD2-CB 3.94Å; L473-I529 HydrophobicContact CD2-CG2 3.75Å; L473-I539 HydrophobicContact CD1-CD1 4.18Å
474	R	98.4	Very high	94.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.4	176.7	-177.8	-175.5	178.6	74.9	1.4	110.8	K295 D296 A449 N450 W453 E454 S491 I492 R494	K295-R474 WeakPolarHBondContact O-CD 3.29Å; D296-R474 IonicContact OD1-CZ 2.75Å; D296-R474 IonicContact OD1-NE 3.13Å; D296-R474 PolarHBondContact OD1-NE 2.63Å; D296-R474 IonicContact OD1-NH2 2.91Å; D296-R474 PolarHBondContact OD1-NH2 3.29Å; A449-R474 PolarHBondContact O-NH1 3.14Å; A449-R474 PolarHBondContact O-NH2 3.26Å; N450-R474 PolarHBondContact O-NH2 3.34Å; W453-R474 VanDerWaalsContact O-CA 3.31Å; W453-R474 WeakPolarHBondContact O-CA 3.43Å; E454-R474 WeakPolarHBondContact OE1-CD 3.38Å; E454-R474 WeakPolarHBondContact OE1-CG 3.48Å; E454-R474 IonicContact OE1-CZ 3.8Å; E454-R474 IonicContact OE1-NE 3.56Å; E454-R474 IonicContact OE1-NH1 2.73Å; E454-R474 PolarHBondContact OE1-NH1 3.32Å; R474-S491 WeakPolarHBondContact O-CA 3.37Å; R474-I492 HydrophobicContact CB-CG2 3.94Å; R474-I492 PolarHBondContact N-O 3.24Å; R474-I492 PolarHBondContact O-N 3.33Å; R474-R494 HydrophobicContact CB-CG 4.25Å
475	K	97.5	Very high	94.9	Very high	85 Å²	85	36.9 Å²	36.9	37%	0.37	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	115.1	162.3	-172.2	175.7	-179.7	-69.7	0	108.7	W453 S477 H534	W453-K475 HydrophobicContact CB-CB 4.18Å; W453-K475 HydrophobicContact CE3-CD 4.35Å; W453-K475 PolarHBondContact O-N 2.84Å; K475-S477 PolarHBondContact O-N 3.28Å; K475-H534 HydrophobicContact CB-CB 4.48Å; K475-H534 HydrophobicContact CD-CB 4.02Å; K475-H534 WeakPolarHBondContact CE-O 3.34Å; K475-H534 HydrophobicContact CG-CB 4.2Å
476	C	92.5	Very high	95.1	Very high	11 Å²	11	35.9 Å²	35.9	7%	0.074	17%	0.174	C	C	.	.			trans	-58.3	135.7	178.6	-66.1	0	0	0	0	110.5	T481 T490	C476-T481 WeakPolarHBondContact CB-OG1 3.24Å; C476-T490 WeakPolarHBondContact CB-O 3.47Å; C476-T490 PolarHBondContact N-O 2.55Å
477	S	94.2	Very high	95.2	Very high	17 Å²	17	40.7 Å²	40.7	12%	0.119	20%	0.199	C	C	.	.			trans	-89.9	150.5	176.4	86.4	0	0	0	0	110.8	H292 D296 K475 K479 G480 T481	H292-S477 PolarHBondContact NE2-OG 3.02Å; D296-S477 PolarHBondContact OD1-N 3.17Å; D296-S477 WeakPolarHBondContact OD2-CB 3.39Å; D296-S477 PolarHBondContact OD2-N 3.42Å; D296-S477 PolarHBondContact OD2-OG 3.41Å; K475-S477 PolarHBondContact O-N 3.28Å; S477-K479 VanDerWaalsContact C-N 3.3Å; S477-K479 PolarHBondContact O-N 3.5Å; S477-G480 PolarHBondContact OG-N 3.41Å; S477-T481 WeakPolarHBondContact O-CB 3.49Å; S477-T481 PolarHBondContact O-N 3.17Å; S477-T481 PolarHBondContact O-OG1 2.67Å
478	E	91.1	Very high	95	Very high	197 Å²	197	44 Å²	44	92%	0.921	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-35.3	178.5	-65.5	179.4	178.8	0	0	112.4
479	K	91.5	Very high	95.1	Very high	193 Å²	193	51.3 Å²	51.3	84%	0.839	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-38.8	-174.6	-175.9	-180	177.2	-173.9	0	113.5	S477	S477-K479 VanDerWaalsContact C-N 3.3Å; S477-K479 PolarHBondContact O-N 3.5Å
480	G	90.5	Very high	95.3	Very high	4 Å²	4	51.5 Å²	51.5	4%	0.041	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-16.5	-174.3	0	0	0	0	0	114.5	D296 S477 F482	D296-G480 WeakPolarHBondContact OD2-CA 3.29Å; D296-G480 PolarHBondContact OD2-N 3.35Å; S477-G480 PolarHBondContact OG-N 3.41Å; G480-F482 PolarHBondContact O-N 3.43Å
481	T	95.6	Very high	95.3	Very high	17 Å²	17	51.4 Å²	51.4	10%	0.104	26%	0.26	C	S	.	.			trans	-82.7	109.2	-176.4	-54.6	0	0	0	0	111.4	D296 C476 S477 L486 L487	D296-T481 PolarHBondContact OD2-N 2.96Å; C476-T481 WeakPolarHBondContact CB-OG1 3.24Å; S477-T481 WeakPolarHBondContact O-CB 3.49Å; S477-T481 PolarHBondContact O-N 3.17Å; S477-T481 PolarHBondContact O-OG1 2.67Å; T481-L486 HydrophobicContact CG2-CB 3.63Å; T481-L487 HydrophobicContact CG2-CD2 4.33Å
482	F	95.7	Very high	95.3	Very high	57 Å²	57	51.4 Å²	51.4	25%	0.25	26%	0.26	C	S	.	.			trans	-111.2	-11.9	178.9	69.5	-89	0	0	0	113.6	P249 L252 S253 A297 G480	P249-F482 HydrophobicContact CB-CD1 4.28Å; P249-F482 HydrophobicContact CB-CD2 3.69Å; P249-F482 HydrophobicContact CB-CE1 4.41Å; P249-F482 HydrophobicContact CB-CE2 3.83Å; P249-F482 HydrophobicContact CB-CG 3.93Å; P249-F482 HydrophobicContact CB-CZ 4.21Å; P249-F482 HydrophobicContact CG-CD1 4.42Å; P249-F482 HydrophobicContact CG-CG 4.34Å; P249-F482 WeakPolarHBondContact O-CE2 3.45Å; L252-F482 HydrophobicContact CB-CE1 4.38Å; L252-F482 HydrophobicContact CB-CZ 3.75Å; L252-F482 HydrophobicContact CD1-CE1 3.8Å; L252-F482 HydrophobicContact CD1-CZ 4.03Å; S253-F482 WeakPolarHBondContact OG-CE2 3.49Å; A297-F482 HydrophobicContact CB-CE1 4.03Å; A297-F482 HydrophobicContact CB-CZ 4.22Å; G480-F482 PolarHBondContact O-N 3.43Å
483	R	97.1	Very high	95.3	Very high	40 Å²	40	51.2 Å²	51.2	15%	0.151	26%	0.26	C	S	.	.			trans	-79	126.6	-176.7	-74	-62	-50.5	-175	0.5	110.5	S253 L256 E485 L486 L487 Y562	S253-R483 VanDerWaalsContact CB-NH1 3.28Å; S253-R483 PolarHBondContact OG-NH1 3.19Å; L256-R483 HydrophobicContact CD1-CG 4.24Å; R483-E485 IonicContact CZ-OE1 3.29Å; R483-E485 IonicContact CZ-OE2 2.89Å; R483-E485 IonicContact NE-OE2 3.84Å; R483-E485 PolarHBondContact NE-OE2 2.87Å; R483-E485 IonicContact NH2-OE1 3.88Å; R483-E485 PolarHBondContact NH2-OE1 3.44Å; R483-E485 IonicContact NH2-OE2 3.55Å; R483-E485 PolarHBondContact NH2-OE2 3.18Å; R483-E485 VanDerWaalsContact NH2-OE2 3.14Å; R483-E485 PolarHBondContact O-N 2.87Å; R483-L486 HydrophobicContact CB-CB 4.38Å; R483-L486 HydrophobicContact CB-CD1 4.24Å; R483-L486 HydrophobicContact CB-CG 4.2Å; R483-L486 PolarHBondContact O-N 2.9Å; R483-L487 PolarHBondContact O-N 3.04Å; R483-Y562 HydrophobicContact CB-CE2 4.46Å; R483-Y562 WeakPolarHBondContact CG-OH 3.28Å
484	P	96.2	Very high	95.3	Very high	87 Å²	87	51.4 Å²	51.4	57%	0.565	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-59.3	-33.4	-175.4	23.9	-33.5	0	0	0	112.4	L486 L487	P484-L486 PolarHBondContact O-N 2.99Å; P484-L487 PolarHBondContact O-N 3.36Å
485	E	96.4	Very high	95.3	Very high	25 Å²	25	52.2 Å²	52.2	12%	0.117	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-68.8	-18.2	178.7	-50.9	89.8	161.9	0	0	112.9	R483 K538 P561 Y562	R483-E485 IonicContact CZ-OE1 3.29Å; R483-E485 IonicContact CZ-OE2 2.89Å; R483-E485 IonicContact NE-OE2 3.84Å; R483-E485 PolarHBondContact NE-OE2 2.87Å; R483-E485 IonicContact NH2-OE1 3.88Å; R483-E485 PolarHBondContact NH2-OE1 3.44Å; R483-E485 IonicContact NH2-OE2 3.55Å; R483-E485 PolarHBondContact NH2-OE2 3.18Å; R483-E485 VanDerWaalsContact NH2-OE2 3.14Å; R483-E485 PolarHBondContact O-N 2.87Å; E485-K538 WeakPolarHBondContact O-CE 3.37Å; E485-K538 PolarHBondContact O-NZ 2.96Å; E485-P561 WeakPolarHBondContact OE1-CD 3.46Å; E485-Y562 HydrophobicContact CB-CD2 3.88Å; E485-Y562 HydrophobicContact CB-CE2 4.11Å; E485-Y562 HydrophobicContact CG-CD2 4.29Å
486	L	96.7	Very high	95.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-108.1	-3.4	-176.6	-57.9	-176.9	0	0	0	113.1	D296 T481 R483 P484 T490 I492 A540 Y562	D296-L486 VanDerWaalsContact O-CD1 3.22Å; D296-L486 WeakPolarHBondContact O-CD1 3.46Å; T481-L486 HydrophobicContact CG2-CB 3.63Å; R483-L486 HydrophobicContact CB-CB 4.38Å; R483-L486 HydrophobicContact CB-CD1 4.24Å; R483-L486 HydrophobicContact CB-CG 4.2Å; R483-L486 PolarHBondContact O-N 2.9Å; P484-L486 PolarHBondContact O-N 2.99Å; L486-T490 HydrophobicContact CD2-CG2 4.02Å; L486-T490 WeakPolarHBondContact O-CB 3.36Å; L486-I492 HydrophobicContact CD1-CD1 3.65Å; L486-I492 HydrophobicContact CD2-CD1 4Å; L486-A540 HydrophobicContact CD2-CB 3.5Å; L486-A540 VanDerWaalsContact CD2-CB 3.5Å; L486-Y562 HydrophobicContact CD1-CE1 4.18Å; L486-Y562 HydrophobicContact CD1-CE2 4.09Å; L486-Y562 WeakPolarHBondContact CD1-OH 3.33Å; L486-Y562 HydrophobicContact CD2-CD2 4.26Å; L486-Y562 HydrophobicContact CD2-CE2 4.14Å; L486-Y562 HydrophobicContact CG-CD2 4.5Å; L486-Y562 HydrophobicContact CG-CE2 3.91Å
487	L	94	Very high	95.3	Very high	103 Å²	103	50.1 Å²	50.1	54%	0.539	26%	0.255	S	S	.	.			trans	-62.5	151.3	177.9	-65.5	177.7	0	0	0	111.6	T481 R483 P484 T490	T481-L487 HydrophobicContact CG2-CD2 4.33Å; R483-L487 PolarHBondContact O-N 3.04Å; P484-L487 PolarHBondContact O-N 3.36Å; L487-T490 PolarHBondContact O-OG1 2.93Å
488	G	90.3	Very high	95	Very high	68 Å²	68	52.2 Å²	52.2	70%	0.701	27%	0.267	S	S	*	.	S	Bend	trans	82.6	-150.9	-178.7	0	0	0	0	0	113.5	T490	G488-T490 VanDerWaalsContact C-N 3.27Å; G488-T490 PolarHBondContact O-N 3.46Å
489	R	93.5	Very high	94.7	Very high	167 Å²	167	43.5 Å²	43.5	63%	0.63	23%	0.226	S	C	*	.	S	Bend	trans	-83.5	67.8	-175	-65.5	176.7	66.9	170.9	0.4	111	G535 S536 N537	R489-G535 PolarHBondContact NE-O 3.01Å; R489-G535 PolarHBondContact NH2-O 3.34Å; R489-S536 CarbonylContact O-C 3.6Å; R489-S536 WeakPolarHBondContact O-CA 3.47Å; R489-S536 WeakPolarHBondContact O-CB 3.3Å; R489-N537 PolarHBondContact O-N 2.94Å; R489-N537 PolarHBondContact O-OD1 3.34Å
490	T	96.5	Very high	93.4	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.025	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.9	-178.2	-56.1	0	0	0	0	111.6	C476 L486 L487 G488 K538 A540	C476-T490 WeakPolarHBondContact CB-O 3.47Å; C476-T490 PolarHBondContact N-O 2.55Å; L486-T490 HydrophobicContact CD2-CG2 4.02Å; L486-T490 WeakPolarHBondContact O-CB 3.36Å; L487-T490 PolarHBondContact O-OG1 2.93Å; G488-T490 VanDerWaalsContact C-N 3.27Å; G488-T490 PolarHBondContact O-N 3.46Å; T490-K538 WeakPolarHBondContact CA-O 3.43Å; T490-K538 HydrophobicContact CG2-CB 4.36Å; T490-K538 HydrophobicContact CG2-CG 4.47Å; T490-A540 HydrophobicContact CG2-CB 4.32Å
491	S	98	Very high	91.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	149.5	165.5	-67	0	0	0	0	110.4	R474 H534 S536 K538 I539 A540	R474-S491 WeakPolarHBondContact O-CA 3.37Å; S491-H534 PolarHBondContact OG-ND1 3.44Å; S491-S536 PolarHBondContact N-OG 2.9Å; S491-S536 WeakPolarHBondContact OG-CB 3.46Å; S491-S536 PolarHBondContact OG-OG 3.17Å; S491-K538 PolarHBondContact N-O 3.05Å; S491-I539 CarbonylContact O-C 3.47Å; S491-I539 VanDerWaalsContact O-CA 3.32Å; S491-I539 WeakPolarHBondContact O-CA 3.46Å; S491-A540 PolarHBondContact O-N 3.27Å
492	I	98.5	Very high	88.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	129	-178	-172.4	157.3	0	0	0	112.1	G298 R474 L486 R494 A540 Y562	G298-I492 VanDerWaalsContact CA-CD1 3.4Å; R474-I492 HydrophobicContact CB-CG2 3.94Å; R474-I492 PolarHBondContact N-O 3.24Å; R474-I492 PolarHBondContact O-N 3.33Å; L486-I492 HydrophobicContact CD1-CD1 3.65Å; L486-I492 HydrophobicContact CD2-CD1 4Å; I492-R494 HydrophobicContact CG2-CG 4.22Å; I492-A540 CarbonylContact C-O 3.41Å; I492-A540 WeakPolarHBondContact CA-O 3.45Å; I492-A540 HydrophobicContact CG1-CB 4.43Å; I492-Y562 HydrophobicContact CD1-CD1 4.08Å; I492-Y562 HydrophobicContact CD1-CE1 3.76Å
493	V	98.7	Very high	85.9	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	112.7	167.3	-179.6	0	0	0	0	108.3	L471 R472 L473 M523 A526 I539 A540 V541 I542	L471-V493 HydrophobicContact CD1-CG1 3.96Å; L471-V493 HydrophobicContact CD1-CG2 4.49Å; L471-V493 HydrophobicContact CD2-CG1 4.18Å; L471-V493 HydrophobicContact CD2-CG2 4.46Å; L471-V493 HydrophobicContact CG-CG1 3.87Å; R472-V493 CarbonylContact O-C 3.54Å; R472-V493 WeakPolarHBondContact O-CA 3.27Å; L473-V493 HydrophobicContact CD1-CG2 3.96Å; V493-M523 HydrophobicContact CG1-SD 4.33Å; V493-M523 HydrophobicContact CG2-CE 4.25Å; V493-M523 HydrophobicContact CG2-SD 4.4Å; V493-A526 HydrophobicContact CG2-CB 4.45Å; V493-I539 HydrophobicContact CG2-CD1 3.79Å; V493-I539 HydrophobicContact CG2-CG1 4.11Å; V493-A540 PolarHBondContact N-O 3.46Å; V493-V541 HydrophobicContact CB-CB 4.37Å; V493-V541 HydrophobicContact CB-CG1 4.11Å; V493-V541 HydrophobicContact CB-CG2 4.04Å; V493-V541 HydrophobicContact CG1-CG1 4.23Å; V493-V541 HydrophobicContact CG2-CG2 4.31Å; V493-I542 WeakPolarHBondContact O-CG2 3.05Å; V493-I542 PolarHBondContact O-N 2.98Å
494	R	98.6	Very high	82.6	Confident	3 Å²	3	44 Å²	44	1%	0.011	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-26.3	-176	-59.2	176.1	58.2	-127.1	-8.3	112.4	G298 F299 D333 E454 R472 R474 I492 I542	G298-R494 WeakPolarHBondContact O-CA 3.46Å; G298-R494 WeakPolarHBondContact O-CB 3.48Å; G298-R494 WeakPolarHBondContact O-CG 3.21Å; F299-R494 PolarHBondContact O-NE 3.44Å; F299-R494 PolarHBondContact O-NH2 3.37Å; D333-R494 IonicContact OD1-CZ 3.07Å; D333-R494 IonicContact OD1-NH1 3.14Å; D333-R494 PolarHBondContact OD1-NH1 2.97Å; D333-R494 IonicContact OD1-NH2 3.51Å; D333-R494 IonicContact OD2-CZ 2.9Å; D333-R494 IonicContact OD2-NH1 3.57Å; D333-R494 IonicContact OD2-NH2 3.27Å; D333-R494 PolarHBondContact OD2-NH2 2.93Å; E454-R494 IonicContact OE1-CZ 3.25Å; E454-R494 IonicContact OE1-NE 3.41Å; E454-R494 IonicContact OE1-NH1 3.94Å; E454-R494 PolarHBondContact OE1-NH1 2.92Å; E454-R494 VanDerWaalsContact OE1-NH1 3.08Å; E454-R494 IonicContact OE2-CZ 2.85Å; E454-R494 IonicContact OE2-NH1 2.8Å; E454-R494 PolarHBondContact OE2-NH1 3.41Å; R472-R494 HydrophobicContact CB-CB 4.01Å; R472-R494 PolarHBondContact O-N 2.8Å; R474-R494 HydrophobicContact CB-CG 4.25Å; I492-R494 HydrophobicContact CG2-CG 4.22Å; R494-I542 WeakPolarHBondContact O-CG2 3.49Å
495	E	97.9	Very high	79.7	Confident	18 Å²	18	47.2 Å²	47.2	8%	0.084	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	138.9	177.9	-173.4	161.3	-134.5	0	0	110.3	K300 L470 L471 R472 H497	K300-E495 HydrophobicContact CD-CB 3.92Å; K300-E495 HydrophobicContact CD-CG 3.91Å; K300-E495 WeakPolarHBondContact CD-OE1 3.5Å; K300-E495 HydrophobicContact CG-CB 4.28Å; K300-E495 IonicContact NZ-OE1 3.3Å; K300-E495 PolarHBondContact NZ-OE1 3.32Å; L470-E495 HydrophobicContact CD1-CB 4.47Å; L470-E495 HydrophobicContact CD1-CG 3.92Å; L471-E495 CarbonylContact C-O 3.57Å; L471-E495 VanDerWaalsContact CA-O 3.23Å; L471-E495 WeakPolarHBondContact CA-O 3.14Å; R472-E495 HydrophobicContact CB-CB 4.14Å; R472-E495 HydrophobicContact CG-CB 4.03Å; R472-E495 IonicContact CZ-OE2 3.62Å; R472-E495 PolarHBondContact N-O 3.36Å; R472-E495 IonicContact NE-OE2 3.58Å; R472-E495 PolarHBondContact NE-OE2 3.3Å; R472-E495 IonicContact NH2-OE2 3.24Å; E495-H497 HydrophobicContact CG-CB 4.29Å
496	L	96.7	Very high	76.4	Confident	31 Å²	31	50.9 Å²	50.9	16%	0.162	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	123.7	158.1	171.2	63.4	0	0	0	107.3	L471 V498 L522 M523 Y550 Y551	L471-L496 HydrophobicContact CB-CD1 4.29Å; L471-L496 HydrophobicContact CD1-CD1 4.23Å; L496-V498 HydrophobicContact CD1-CG2 4.47Å; L496-L522 HydrophobicContact CD1-CB 4.06Å; L496-L522 HydrophobicContact CD1-CD1 3.83Å; L496-M523 HydrophobicContact CD2-CG 3.86Å; L496-M523 HydrophobicContact CD2-SD 4.08Å; L496-Y550 HydrophobicContact CD2-CE1 3.71Å; L496-Y551 HydrophobicContact CD2-CE1 4.26Å
497	H	92.9	Very high	73.3	Confident	21 Å²	21	53.5 Å²	53.5	10%	0.097	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	119.1	179.8	-160.4	105.6	0	0	0	110.8	I107 G469 L470 E495 Y499	I107-H497 WeakPolarHBondContact CD1-CE1 3.3Å; G469-H497 CarbonylContact C-O 3.5Å; G469-H497 WeakPolarHBondContact CA-O 3.47Å; L470-H497 HydrophobicContact CD1-CB 4.15Å; L470-H497 HydrophobicContact CG-CB 4.07Å; L470-H497 PolarHBondContact N-O 3.03Å; L470-H497 PolarHBondContact O-N 3.46Å; E495-H497 HydrophobicContact CG-CB 4.29Å; H497-Y499 AromaticContact CD2-CD1 3.59Å; H497-Y499 AromaticContact CD2-CE1 3.41Å; H497-Y499 VanDerWaalsContact CD2-CE1 3.41Å; H497-Y499 WeakPolarHBondContact CD2-CE1 3.35Å; H497-Y499 AromaticContact CD2-CG 4Å; H497-Y499 AromaticContact CD2-CZ 3.65Å; H497-Y499 AromaticContact NE2-CD1 3.47Å; H497-Y499 WeakPolarHBondContact NE2-CD1 3.22Å; H497-Y499 AromaticContact NE2-CE1 3.27Å; H497-Y499 VanDerWaalsContact NE2-CE1 3.27Å; H497-Y499 WeakPolarHBondContact NE2-CE1 3.37Å; H497-Y499 AromaticContact NE2-CZ 3.95Å
498	V	89.5	Confident	70.3	Confident	61 Å²	61	59.7 Å²	59.7	37%	0.37	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.4	173	-177	0	0	0	0	107.7	L496 G500 F518	L496-V498 HydrophobicContact CD1-CG2 4.47Å; V498-G500 PolarHBondContact O-N 3.23Å; V498-F518 HydrophobicContact CG1-CB 4.33Å; V498-F518 HydrophobicContact CG2-CB 4.43Å
499	Y	83.3	Confident	67.5	Low	14 Å²	14	59 Å²	59	6%	0.055	32%	0.323	C	S	.	.			trans	-73	113.2	-178.7	-66.6	-73.2	0	0	0	109.6	V421 E425 L467 I468 L470 H497	V421-Y499 WeakPolarHBondContact CG1-OH 3.23Å; E425-Y499 HydrophobicContact CB-CD1 4.09Å; E425-Y499 HydrophobicContact CB-CD2 4.35Å; E425-Y499 HydrophobicContact CB-CE1 3.94Å; E425-Y499 HydrophobicContact CB-CE2 4.24Å; E425-Y499 HydrophobicContact CB-CG 4.29Å; E425-Y499 HydrophobicContact CG-CD1 4.24Å; E425-Y499 HydrophobicContact CG-CE1 3.58Å; E425-Y499 HydrophobicContact CG-CE2 3.96Å; E425-Y499 VanDerWaalsContact CG-CZ 3.41Å; E425-Y499 WeakPolarHBondContact CG-OH 3.47Å; E425-Y499 WeakPolarHBondContact OE1-CE1 3.41Å; E425-Y499 PolarHBondContact OE1-OH 2.65Å; E425-Y499 WeakPolarHBondContact OE2-CE1 3.33Å; L467-Y499 HydrophobicContact CD2-CE2 3.86Å; L467-Y499 HydrophobicContact CG-CD2 4.48Å; L467-Y499 HydrophobicContact CG-CE2 4.05Å; I468-Y499 WeakPolarHBondContact O-CB 3.41Å; I468-Y499 WeakPolarHBondContact O-CD2 3.07Å; I468-Y499 PolarHBondContact O-N 3.39Å; L470-Y499 HydrophobicContact CD2-CE2 4.23Å; H497-Y499 AromaticContact CD2-CD1 3.59Å; H497-Y499 AromaticContact CD2-CE1 3.41Å; H497-Y499 VanDerWaalsContact CD2-CE1 3.41Å; H497-Y499 WeakPolarHBondContact CD2-CE1 3.35Å; H497-Y499 AromaticContact CD2-CG 4Å; H497-Y499 AromaticContact CD2-CZ 3.65Å; H497-Y499 AromaticContact NE2-CD1 3.47Å; H497-Y499 WeakPolarHBondContact NE2-CD1 3.22Å; H497-Y499 AromaticContact NE2-CE1 3.27Å; H497-Y499 VanDerWaalsContact NE2-CE1 3.27Å; H497-Y499 WeakPolarHBondContact NE2-CE1 3.37Å; H497-Y499 AromaticContact NE2-CZ 3.95Å
500	G	64.7	Low	64.7	Low	37 Å²	37	57.3 Å²	57.3	38%	0.381	33%	0.334	S	S	.	.			trans	-98.7	158.7	178.1	0	0	0	0	0	112.6	V498	V498-G500 PolarHBondContact O-N 3.23Å
501	S	50.9	Low	61.8	Low	98 Å²	98	62.4 Å²	62.4	69%	0.685	37%	0.365	S	S	*	.	S	Bend	trans	102.4	14.6	168.2	75.5	0	0	0	0	120.5
502	V	39.1	Very low	58.8	Low	28 Å²	28	68 Å²	68	17%	0.17	39%	0.39	C	S	.	.			trans	-135.6	4.4	172.2	-147.7	0	0	0	0	117.1	D430 P504	D430-V502 HydrophobicContact CB-CB 4.39Å; D430-V502 HydrophobicContact CB-CG1 3.59Å; D430-V502 HydrophobicContact CB-CG2 4.22Å; D430-V502 WeakPolarHBondContact OD2-CG1 3.23Å; V502-P504 WeakPolarHBondContact O-CD 3.48Å
503	V	33.8	Very low	55.7	Low	90 Å²	90	74.4 Å²	74.4	55%	0.545	42%	0.418	S	S	.	.	S	Bend	trans	-90.3	115.5	170.4	-168.2	0	0	0	0	108.1	I505	V503-I505 PolarHBondContact O-N 3.34Å
504	P	29	Very low	52.6	Low	67 Å²	67	78.7 Å²	78.7	44%	0.435	44%	0.438	S	S	.	.			trans	-57.2	134.5	178.6	-19.5	30.9	0	0	0	110.4	V502 S506	V502-P504 WeakPolarHBondContact O-CD 3.48Å; P504-S506 PolarHBondContact O-N 2.99Å; P504-S506 VanDerWaalsContact O-N 3.07Å
505	I	34.2	Very low	50	Low	156 Å²	156	84.5 Å²	84.5	80%	0.8	47%	0.465	S	S	*	.	S	Bend	trans	-67.8	-3.2	176.9	-66.5	164.8	0	0	0	111.6	V503 A507	V503-I505 PolarHBondContact O-N 3.34Å; I505-A507 PolarHBondContact O-N 3.14Å
506	S	27.9	Very low	47.8	Very low	102 Å²	102	86.8 Å²	86.8	71%	0.713	48%	0.476	S	S	*	.			trans	-100.9	69.8	-172.5	60.1	0	0	0	0	113	P504	P504-S506 PolarHBondContact O-N 2.99Å; P504-S506 VanDerWaalsContact O-N 3.07Å
507	A	30.8	Very low	47	Very low	56 Å²	56	87.1 Å²	87.1	46%	0.463	49%	0.487	S	S	.	.			trans	-176	87	149.7	0	0	0	0	0	108	I505 D509	I505-A507 PolarHBondContact O-N 3.14Å; A507-D509 PolarHBondContact O-N 2.96Å
508	R	30.7	Very low	46.8	Very low	232 Å²	232	87.5 Å²	87.5	88%	0.875	49%	0.488	S	S	*	.			trans	-69.9	79.4	167.6	-76.4	-178.1	175.5	176.2	-1.7	108.3
509	D	33	Very low	46.9	Very low	54 Å²	54	84.9 Å²	84.9	29%	0.289	47%	0.473	S	S	.	.			trans	-108.4	107.3	169.1	-170.6	-13.9	0	0	0	108.2	A507 T511 K512	A507-D509 PolarHBondContact O-N 2.96Å; D509-T511 PolarHBondContact O-N 3.07Å; D509-T511 VanDerWaalsContact O-N 3.09Å; D509-T511 PolarHBondContact OD1-N 3.19Å; D509-T511 VanDerWaalsContact OD1-N 3.12Å; D509-T511 PolarHBondContact OD1-OG1 3.25Å; D509-T511 PolarHBondContact OD2-OG1 3.3Å; D509-K512 HydrophobicContact CB-CB 4.37Å; D509-K512 HydrophobicContact CB-CD 4.33Å; D509-K512 HydrophobicContact CB-CG 4.28Å; D509-K512 PolarHBondContact O-N 2.76Å; D509-K512 WeakPolarHBondContact OD2-CE 3.32Å
510	P	34.5	Very low	47.4	Very low	131 Å²	131	87.4 Å²	87.4	85%	0.851	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-15.6	-179.5	-19.9	30.8	0	0	0	114.2
511	T	35	Very low	48.9	Very low	112 Å²	112	87.9 Å²	87.9	69%	0.687	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-12.6	-177.9	65.7	0	0	0	0	113.6	D509	D509-T511 PolarHBondContact O-N 3.07Å; D509-T511 VanDerWaalsContact O-N 3.09Å; D509-T511 PolarHBondContact OD1-N 3.19Å; D509-T511 VanDerWaalsContact OD1-N 3.12Å; D509-T511 PolarHBondContact OD1-OG1 3.25Å; D509-T511 PolarHBondContact OD2-OG1 3.3Å
512	K	34.5	Very low	51	Low	117 Å²	117	83.2 Å²	83.2	51%	0.509	45%	0.448	S	S	.	.	S	Bend	trans	-97.3	139.6	176.5	-66.8	-174.7	-178.1	-179.5	0	108.9	D509 Q514	D509-K512 HydrophobicContact CB-CB 4.37Å; D509-K512 HydrophobicContact CB-CD 4.33Å; D509-K512 HydrophobicContact CB-CG 4.28Å; D509-K512 PolarHBondContact O-N 2.76Å; D509-K512 WeakPolarHBondContact OD2-CE 3.32Å; K512-Q514 HydrophobicContact CB-CB 4.31Å; K512-Q514 HydrophobicContact CB-CG 4.32Å; K512-Q514 PolarHBondContact O-N 3.24Å
513	F	33.1	Very low	53.8	Low	134 Å²	134	82 Å²	82	59%	0.588	44%	0.44	S	S	*	.	S	Bend	trans	-63.8	20	-179.2	-75.6	-117.5	0	0	0	114	Q516	F513-Q516 VanDerWaalsContact CA-NE2 3.35Å; F513-Q516 HydrophobicContact CB-CG 4.4Å; F513-Q516 WeakPolarHBondContact O-CG 3.29Å
514	Q	35.2	Very low	56.8	Low	91 Å²	91	83 Å²	83	43%	0.425	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	39.2	-161.8	-69.4	178.8	-16	0	0	113	K512	K512-Q514 HydrophobicContact CB-CB 4.31Å; K512-Q514 HydrophobicContact CB-CG 4.32Å; K512-Q514 PolarHBondContact O-N 3.24Å
515	H	42.5	Very low	60.1	Low	125 Å²	125	81.6 Å²	81.6	58%	0.579	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.4	12.1	153	-75.8	-51.3	0	0	0	110.8
516	Q	51.8	Low	63.2	Low	66 Å²	66	74.1 Å²	74.1	31%	0.308	39%	0.388	S	S	.	.			trans	-76.3	133.3	-162.3	-69.3	-174.9	-9.7	0	0	109.5	F513 F518 L521	F513-Q516 VanDerWaalsContact CA-NE2 3.35Å; F513-Q516 HydrophobicContact CB-CG 4.4Å; F513-Q516 WeakPolarHBondContact O-CG 3.29Å; Q516-F518 PolarHBondContact O-N 3.07Å; Q516-L521 HydrophobicContact CB-CD1 4.18Å
517	G	79.8	Confident	66.5	Low	38 Å²	38	70.9 Å²	70.9	39%	0.392	36%	0.362	S	S	.	.			trans	-61.2	78.6	171.4	0	0	0	0	0	109.9	G519 I520 L521	G517-G519 PolarHBondContact O-N 2.99Å; G517-G519 VanDerWaalsContact O-N 3.11Å; G517-I520 CarbonylContact O-C 3.53Å; G517-I520 VanDerWaalsContact O-CA 3.32Å; G517-I520 WeakPolarHBondContact O-CA 3.24Å; G517-I520 VanDerWaalsContact O-CB 3.29Å; G517-I520 WeakPolarHBondContact O-CB 3.46Å; G517-I520 PolarHBondContact O-N 3.03Å; G517-L521 PolarHBondContact O-N 3.37Å
518	F	89.4	Confident	69.7	Low	29 Å²	29	72.4 Å²	72.4	13%	0.127	36%	0.356	C	S	.	.	H	α-helix	trans	-53.5	-34.2	174.4	-70.8	-62.7	0	0	0	110.1	V440 Y459 I468 V498 Q516 I520 L521 L522	V440-F518 HydrophobicContact CG1-CE1 3.93Å; V440-F518 HydrophobicContact CG1-CZ 4.15Å; Y459-F518 AromaticContact CD1-CD1 3.95Å; Y459-F518 HydrophobicContact CD1-CD1 3.95Å; Y459-F518 AromaticContact CD1-CE1 3.98Å; Y459-F518 HydrophobicContact CD1-CE1 3.98Å; Y459-F518 HydrophobicContact CD2-CB 4.08Å; Y459-F518 AromaticContact CD2-CD1 3.49Å; Y459-F518 HydrophobicContact CD2-CD1 3.49Å; Y459-F518 VanDerWaalsContact CD2-CD1 3.49Å; Y459-F518 HydrophobicContact CD2-CE1 4.34Å; Y459-F518 HydrophobicContact CD2-CG 4.19Å; Y459-F518 HydrophobicContact CE1-CD1 4.24Å; Y459-F518 HydrophobicContact CE1-CE1 4.34Å; Y459-F518 AromaticContact CE2-CD1 3.83Å; Y459-F518 HydrophobicContact CE2-CD1 3.83Å; Y459-F518 AromaticContact CG-CD1 3.54Å; Y459-F518 HydrophobicContact CG-CD1 3.54Å; Y459-F518 AromaticContact CG-CE1 3.96Å; Y459-F518 HydrophobicContact CG-CE1 3.96Å; Y459-F518 HydrophobicContact CG-CG 4.44Å; I468-F518 HydrophobicContact CG2-CD2 3.81Å; I468-F518 HydrophobicContact CG2-CE2 3.77Å; I468-F518 HydrophobicContact CG2-CG 4.43Å; I468-F518 HydrophobicContact CG2-CZ 4.35Å; V498-F518 HydrophobicContact CG1-CB 4.33Å; V498-F518 HydrophobicContact CG2-CB 4.43Å; Q516-F518 PolarHBondContact O-N 3.07Å; F518-I520 VanDerWaalsContact C-N 3.32Å; F518-I520 PolarHBondContact O-N 3.14Å; F518-L521 HydrophobicContact CD1-CD1 4.48Å; F518-L521 PolarHBondContact O-N 2.73Å; F518-L522 VanDerWaalsContact O-CB 3.28Å; F518-L522 WeakPolarHBondContact O-CB 3.43Å; F518-L522 WeakPolarHBondContact O-CD1 3.44Å; F518-L522 WeakPolarHBondContact O-CG 3.33Å; F518-L522 PolarHBondContact O-N 2.85Å
519	G	91.9	Very high	72.9	Confident	5 Å²	5	61.4 Å²	61.4	5%	0.052	31%	0.314	C	S	.	.	H	α-helix	trans	-67.4	-28.7	173.3	0	0	0	0	0	114.3	G517 M523 Y550	G517-G519 PolarHBondContact O-N 2.99Å; G517-G519 VanDerWaalsContact O-N 3.11Å; G519-M523 WeakPolarHBondContact O-CG 3.34Å; G519-M523 PolarHBondContact O-N 3.42Å; G519-Y550 PolarHBondContact O-OH 3.06Å
520	I	93.7	Very high	76	Confident	68 Å²	68	58.8 Å²	58.8	35%	0.349	30%	0.3	S	S	.	.	H	α-helix	trans	-75.9	-49.8	173.1	-57.7	-179.8	0	0	0	109	G517 F518 L522 M523 E524 Y550 L554	G517-I520 CarbonylContact O-C 3.53Å; G517-I520 VanDerWaalsContact O-CA 3.32Å; G517-I520 WeakPolarHBondContact O-CA 3.24Å; G517-I520 VanDerWaalsContact O-CB 3.29Å; G517-I520 WeakPolarHBondContact O-CB 3.46Å; G517-I520 PolarHBondContact O-N 3.03Å; F518-I520 VanDerWaalsContact C-N 3.32Å; F518-I520 PolarHBondContact O-N 3.14Å; I520-L522 VanDerWaalsContact C-N 3.33Å; I520-L522 PolarHBondContact O-N 3.06Å; I520-M523 CarbonylContact O-C 3.39Å; I520-M523 WeakPolarHBondContact O-CA 3Å; I520-M523 WeakPolarHBondContact O-CB 3.26Å; I520-M523 PolarHBondContact O-N 3.05Å; I520-E524 HydrophobicContact CG2-CG 4.32Å; I520-E524 WeakPolarHBondContact O-CG 3.32Å; I520-E524 PolarHBondContact O-N 3.5Å; I520-Y550 PolarHBondContact N-OH 2.86Å; I520-L554 HydrophobicContact CD1-CD2 4.43Å; I520-L554 HydrophobicContact CG1-CD2 4.08Å; I520-L554 HydrophobicContact CG2-CD2 4.32Å
521	L	95.1	Very high	79	Confident	47 Å²	47	55.9 Å²	55.9	25%	0.246	27%	0.274	C	S	.	.	H	α-helix	trans	-58.3	-42.2	179	-63.6	174	0	0	0	112.5	Y459 Q516 G517 F518 M523 E524 E525	Y459-L521 HydrophobicContact CE2-CB 3.8Å; Y459-L521 HydrophobicContact CE2-CD1 4.34Å; Y459-L521 WeakPolarHBondContact OH-CB 3.42Å; Y459-L521 WeakPolarHBondContact OH-CD1 3.23Å; Q516-L521 HydrophobicContact CB-CD1 4.18Å; G517-L521 PolarHBondContact O-N 3.37Å; F518-L521 HydrophobicContact CD1-CD1 4.48Å; F518-L521 PolarHBondContact O-N 2.73Å; L521-M523 VanDerWaalsContact C-N 3.33Å; L521-M523 PolarHBondContact O-N 2.93Å; L521-E524 PolarHBondContact O-N 3.24Å; L521-E525 PolarHBondContact O-N 3.49Å
522	L	97	Very high	82	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-40	174.3	-75.3	168.3	0	0	0	111.9	L442 L457 Y459 L471 L496 F518 I520 A526	L442-L522 HydrophobicContact CD1-CD2 4.1Å; L457-L522 HydrophobicContact CB-CD2 3.81Å; Y459-L522 HydrophobicContact CD2-CD1 4.32Å; Y459-L522 HydrophobicContact CD2-CD2 3.92Å; Y459-L522 HydrophobicContact CD2-CG 3.83Å; Y459-L522 HydrophobicContact CE2-CD2 4.13Å; Y459-L522 HydrophobicContact CE2-CG 3.97Å; L471-L522 HydrophobicContact CB-CB 4.12Å; L471-L522 HydrophobicContact CB-CD1 4.42Å; L471-L522 HydrophobicContact CB-CD2 4.31Å; L471-L522 HydrophobicContact CD1-CB 4.11Å; L496-L522 HydrophobicContact CD1-CB 4.06Å; L496-L522 HydrophobicContact CD1-CD1 3.83Å; F518-L522 VanDerWaalsContact O-CB 3.28Å; F518-L522 WeakPolarHBondContact O-CB 3.43Å; F518-L522 WeakPolarHBondContact O-CD1 3.44Å; F518-L522 WeakPolarHBondContact O-CG 3.33Å; F518-L522 PolarHBondContact O-N 2.85Å; I520-L522 VanDerWaalsContact C-N 3.33Å; I520-L522 PolarHBondContact O-N 3.06Å; L522-A526 VanDerWaalsContact O-CB 3.32Å; L522-A526 WeakPolarHBondContact O-CB 3.33Å; L522-A526 PolarHBondContact O-N 3.47Å
523	M	97.5	Very high	85	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.015	26%	0.263	C	S	.	.	H	α-helix	trans	-69.8	-40.6	178	-73	-63.5	-53.1	0	0	111.8	L471 V493 L496 G519 I520 L521 E525 A526 E527 V541 Y551 L554 Y556	L471-M523 HydrophobicContact CD1-CG 4.36Å; L471-M523 HydrophobicContact CD1-SD 3.59Å; L471-M523 VanDerWaalsContact CD1-SD 3.59Å; V493-M523 HydrophobicContact CG1-SD 4.33Å; V493-M523 HydrophobicContact CG2-CE 4.25Å; V493-M523 HydrophobicContact CG2-SD 4.4Å; L496-M523 HydrophobicContact CD2-CG 3.86Å; L496-M523 HydrophobicContact CD2-SD 4.08Å; G519-M523 WeakPolarHBondContact O-CG 3.34Å; G519-M523 PolarHBondContact O-N 3.42Å; I520-M523 CarbonylContact O-C 3.39Å; I520-M523 WeakPolarHBondContact O-CA 3Å; I520-M523 WeakPolarHBondContact O-CB 3.26Å; I520-M523 PolarHBondContact O-N 3.05Å; L521-M523 VanDerWaalsContact C-N 3.33Å; L521-M523 PolarHBondContact O-N 2.93Å; M523-E525 VanDerWaalsContact C-N 3.34Å; M523-A526 PolarHBondContact O-N 3.11Å; M523-E527 WeakPolarHBondContact O-CB 3.45Å; M523-E527 WeakPolarHBondContact O-CG 3.37Å; M523-E527 PolarHBondContact O-N 3.17Å; M523-V541 HydrophobicContact CE-CG2 4.07Å; M523-Y551 HydrophobicContact CE-CD1 4.5Å; M523-Y551 HydrophobicContact CE-CE1 4.4Å; M523-Y551 HydrophobicContact SD-CE1 4.16Å; M523-L554 HydrophobicContact CB-CD1 4.41Å; M523-L554 HydrophobicContact CG-CD1 4.17Å; M523-Y556 HydrophobicContact CE-CE1 4.31Å; M523-Y556 HydrophobicContact CE-CE2 4.02Å; M523-Y556 WeakPolarHBondContact CE-OH 3.32Å
524	E	96.7	Very high	88	Confident	111 Å²	111	49.4 Å²	49.4	52%	0.519	24%	0.238	S	C	.	.	H	α-helix	trans	-59.7	-45.3	174.8	-72.9	173.8	171.3	0	0	111.2	I520 L521 E527 R528	I520-E524 HydrophobicContact CG2-CG 4.32Å; I520-E524 WeakPolarHBondContact O-CG 3.32Å; I520-E524 PolarHBondContact O-N 3.5Å; L521-E524 PolarHBondContact O-N 3.24Å; E524-E527 PolarHBondContact O-N 3.45Å; E524-R528 PolarHBondContact O-N 2.93Å
525	E	97.9	Very high	90.9	Very high	36 Å²	36	45.8 Å²	45.8	17%	0.168	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-39.2	175.8	-179	63.3	-173.8	0	0	112	L442 L457 L521 M523 E527 R528 I529	L442-E525 HydrophobicContact CD2-CB 4.48Å; L442-E525 HydrophobicContact CD2-CG 4.02Å; L457-E525 HydrophobicContact CD1-CB 4.11Å; L457-E525 HydrophobicContact CD1-CG 3.76Å; L457-E525 HydrophobicContact CD2-CG 4.24Å; L521-E525 PolarHBondContact O-N 3.49Å; M523-E525 VanDerWaalsContact C-N 3.34Å; E525-E527 VanDerWaalsContact C-N 3.35Å; E525-E527 PolarHBondContact O-N 3.23Å; E525-R528 WeakPolarHBondContact O-CB 3.5Å; E525-R528 PolarHBondContact O-N 2.74Å; E525-R528 IonicContact OE1-CZ 3.52Å; E525-R528 IonicContact OE1-NE 3.34Å; E525-R528 PolarHBondContact OE1-NE 2.89Å; E525-R528 IonicContact OE1-NH2 3.67Å; E525-R528 PolarHBondContact OE1-NH2 3.17Å; E525-R528 IonicContact OE2-CZ 3.42Å; E525-R528 IonicContact OE2-NE 3.55Å; E525-R528 PolarHBondContact OE2-NE 3.2Å; E525-R528 IonicContact OE2-NH2 2.86Å; E525-I529 HydrophobicContact CG-CD1 4.01Å; E525-I529 HydrophobicContact CG-CG1 4.49Å; E525-I529 WeakPolarHBondContact O-CG1 3.23Å; E525-I529 PolarHBondContact O-N 3.28Å
526	A	98.3	Very high	93.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-40.6	175.3	0	0	0	0	0	112.2	L457 L471 L473 V493 L522 M523 A530 I539	L457-A526 HydrophobicContact CD1-CB 4.29Å; L471-A526 HydrophobicContact CD1-CB 3.76Å; L471-A526 HydrophobicContact CD2-CB 3.73Å; L471-A526 HydrophobicContact CG-CB 4.45Å; L473-A526 HydrophobicContact CD1-CB 4.48Å; L473-A526 HydrophobicContact CD2-CB 4.37Å; V493-A526 HydrophobicContact CG2-CB 4.45Å; L522-A526 VanDerWaalsContact O-CB 3.32Å; L522-A526 WeakPolarHBondContact O-CB 3.33Å; L522-A526 PolarHBondContact O-N 3.47Å; M523-A526 PolarHBondContact O-N 3.11Å; A526-A530 WeakPolarHBondContact O-CB 3.35Å; A526-A530 PolarHBondContact O-N 3.18Å; A526-I539 HydrophobicContact CB-CD1 4.47Å
527	E	98.2	Very high	95.6	Very high	33 Å²	33	41.4 Å²	41.4	15%	0.154	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-42	174	-74	179.5	-165.8	0	0	111.3	M523 E524 E525 A530 K531 I539 Y556 K565 L567	M523-E527 WeakPolarHBondContact O-CB 3.45Å; M523-E527 WeakPolarHBondContact O-CG 3.37Å; M523-E527 PolarHBondContact O-N 3.17Å; E524-E527 PolarHBondContact O-N 3.45Å; E525-E527 VanDerWaalsContact C-N 3.35Å; E525-E527 PolarHBondContact O-N 3.23Å; E527-A530 PolarHBondContact O-N 3.29Å; E527-K531 WeakPolarHBondContact O-CB 3.3Å; E527-K531 PolarHBondContact O-N 2.9Å; E527-I539 HydrophobicContact CG-CD1 4.13Å; E527-I539 HydrophobicContact CG-CG2 4.29Å; E527-Y556 VanDerWaalsContact OE1-CE2 3.29Å; E527-Y556 WeakPolarHBondContact OE1-CE2 3.49Å; E527-Y556 PolarHBondContact OE1-OH 3.04Å; E527-K565 VanDerWaalsContact CD-NZ 3.34Å; E527-K565 IonicContact OE1-NZ 2.95Å; E527-K565 PolarHBondContact OE1-NZ 2.88Å; E527-K565 VanDerWaalsContact OE1-NZ 3.15Å; E527-K565 IonicContact OE2-NZ 3.05Å; E527-K565 PolarHBondContact OE2-NZ 2.69Å; E527-L567 HydrophobicContact CB-CD2 4.11Å; E527-L567 HydrophobicContact CG-CD2 4.09Å
528	R	98	Very high	96.4	Very high	89 Å²	89	41.1 Å²	41.1	34%	0.336	20%	0.197	S	C	.	.	H	α-helix	trans	-59.8	-52	175.2	-169.2	-163.4	69.4	66.3	4.1	111.4	E524 E525 K531 F532 E533	E524-R528 PolarHBondContact O-N 2.93Å; E525-R528 WeakPolarHBondContact O-CB 3.5Å; E525-R528 PolarHBondContact O-N 2.74Å; E525-R528 IonicContact OE1-CZ 3.52Å; E525-R528 IonicContact OE1-NE 3.34Å; E525-R528 PolarHBondContact OE1-NE 2.89Å; E525-R528 IonicContact OE1-NH2 3.67Å; E525-R528 PolarHBondContact OE1-NH2 3.17Å; E525-R528 IonicContact OE2-CZ 3.42Å; E525-R528 IonicContact OE2-NE 3.55Å; E525-R528 PolarHBondContact OE2-NE 3.2Å; E525-R528 IonicContact OE2-NH2 2.86Å; R528-K531 PolarHBondContact O-N 3.06Å; R528-F532 HydrophobicContact CG-CD2 3.73Å; R528-F532 HydrophobicContact CG-CE2 4.08Å; R528-F532 VanDerWaalsContact O-CD2 3.25Å; R528-F532 WeakPolarHBondContact O-CD2 3.28Å; R528-F532 PolarHBondContact O-N 3.38Å; R528-E533 IonicContact CZ-OE1 2.71Å; R528-E533 IonicContact NH1-OE1 2.96Å; R528-E533 PolarHBondContact NH1-OE1 3.3Å; R528-E533 VanDerWaalsContact NH1-OE1 3.13Å; R528-E533 IonicContact NH2-OE1 3.86Å; R528-E533 PolarHBondContact NH2-OE1 3.03Å
529	I	97.9	Very high	96.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.3	-45.8	179.7	-66.1	171.4	0	0	0	110.5	T455 L457 L473 E525 K531 E533 H534	T455-I529 HydrophobicContact CG2-CD1 4.02Å; L457-I529 HydrophobicContact CD1-CD1 4.1Å; L457-I529 HydrophobicContact CD2-CD1 3.78Å; L457-I529 HydrophobicContact CG-CD1 4.4Å; L473-I529 HydrophobicContact CD2-CB 3.94Å; L473-I529 HydrophobicContact CD2-CG2 3.75Å; E525-I529 HydrophobicContact CG-CD1 4.01Å; E525-I529 HydrophobicContact CG-CG1 4.49Å; E525-I529 WeakPolarHBondContact O-CG1 3.23Å; E525-I529 PolarHBondContact O-N 3.28Å; I529-K531 VanDerWaalsContact C-N 3.32Å; I529-K531 PolarHBondContact O-N 3.1Å; I529-E533 HydrophobicContact CG2-CB 4.26Å; I529-E533 WeakPolarHBondContact O-CA 3.41Å; I529-E533 WeakPolarHBondContact O-CB 3.47Å; I529-E533 PolarHBondContact O-N 2.85Å; I529-H534 PolarHBondContact O-N 3.5Å
530	A	98	Very high	97.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.3	-43.3	178	0	0	0	0	0	111.8	A526 E527 H534 G535 S536 I539 L567	A526-A530 WeakPolarHBondContact O-CB 3.35Å; A526-A530 PolarHBondContact O-N 3.18Å; E527-A530 PolarHBondContact O-N 3.29Å; A530-H534 WeakPolarHBondContact O-CB 3.43Å; A530-G535 PolarHBondContact O-N 3.15Å; A530-S536 WeakPolarHBondContact O-CB 3.39Å; A530-S536 PolarHBondContact O-N 3.28Å; A530-I539 HydrophobicContact CB-CD1 4.13Å; A530-L567 HydrophobicContact CB-CD1 3.71Å
531	K	97.6	Very high	97.4	Very high	70 Å²	70	36.4 Å²	36.4	30%	0.304	17%	0.172	S	C	.	.	H	α-helix	trans	-70.9	-54.3	-179.6	-174.2	176.5	-177.9	176.7	0	112.5	E527 R528 I529 G535 L567 T568	E527-K531 WeakPolarHBondContact O-CB 3.3Å; E527-K531 PolarHBondContact O-N 2.9Å; R528-K531 PolarHBondContact O-N 3.06Å; I529-K531 VanDerWaalsContact C-N 3.32Å; I529-K531 PolarHBondContact O-N 3.1Å; K531-G535 WeakPolarHBondContact O-CA 3.45Å; K531-L567 HydrophobicContact CB-CB 4.43Å; K531-L567 HydrophobicContact CB-CD1 4.18Å; K531-T568 WeakPolarHBondContact CE-OXT 3.34Å; K531-T568 PolarHBondContact NZ-O 3.22Å; K531-T568 PolarHBondContact NZ-OXT 2.91Å
532	F	97.5	Very high	97.5	Very high	142 Å²	142	34.9 Å²	34.9	62%	0.623	16%	0.164	S	C	*	.	H	α-helix	trans	-91.6	-30.3	-165.9	-63.8	-68.7	0	0	0	114	R528	R528-F532 HydrophobicContact CG-CD2 3.73Å; R528-F532 HydrophobicContact CG-CE2 4.08Å; R528-F532 VanDerWaalsContact O-CD2 3.25Å; R528-F532 WeakPolarHBondContact O-CD2 3.28Å; R528-F532 PolarHBondContact O-N 3.38Å
533	E	97.1	Very high	97.5	Very high	73 Å²	73	35.1 Å²	35.1	34%	0.341	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-44.4	-173.6	-58.4	-179.9	-143.7	0	0	111.7	R444 W453 R528 I529 G535	R444-E533 IonicContact CZ-OE1 3.97Å; R444-E533 IonicContact CZ-OE2 2.69Å; R444-E533 IonicContact NH1-OE1 2.68Å; R444-E533 PolarHBondContact NH1-OE1 3.34Å; R444-E533 IonicContact NH1-OE2 2.93Å; R444-E533 PolarHBondContact NH1-OE2 3.4Å; R444-E533 IonicContact NH2-OE2 2.85Å; R444-E533 PolarHBondContact NH2-OE2 3.27Å; W453-E533 HydrophobicContact CH2-CB 4.09Å; R528-E533 IonicContact CZ-OE1 2.71Å; R528-E533 IonicContact NH1-OE1 2.96Å; R528-E533 PolarHBondContact NH1-OE1 3.3Å; R528-E533 VanDerWaalsContact NH1-OE1 3.13Å; R528-E533 IonicContact NH2-OE1 3.86Å; R528-E533 PolarHBondContact NH2-OE1 3.03Å; I529-E533 HydrophobicContact CG2-CB 4.26Å; I529-E533 WeakPolarHBondContact O-CA 3.41Å; I529-E533 WeakPolarHBondContact O-CB 3.47Å; I529-E533 PolarHBondContact O-N 2.85Å; E533-G535 VanDerWaalsContact C-N 3.26Å
534	H	96.5	Very high	97.4	Very high	11 Å²	11	35.1 Å²	35.1	5%	0.051	17%	0.167	C	C	.	.	S	Bend	trans	-76.1	-20.4	172.4	-62.6	-177.1	0	0	0	112.2	W453 K475 S491 I529 A530 S536	W453-H534 AromaticContact CD2-NE2 3.72Å; W453-H534 AromaticContact CE2-NE2 3.97Å; W453-H534 AromaticContact CE3-CD2 3.47Å; W453-H534 VanDerWaalsContact CE3-CD2 3.47Å; W453-H534 AromaticContact CE3-NE2 3.68Å; W453-H534 AromaticContact CH2-CD2 3.89Å; W453-H534 AromaticContact CZ3-CD2 3.4Å; W453-H534 WeakPolarHBondContact CZ3-CD2 3.44Å; W453-H534 AromaticContact CZ3-NE2 3.95Å; K475-H534 HydrophobicContact CB-CB 4.48Å; K475-H534 HydrophobicContact CD-CB 4.02Å; K475-H534 WeakPolarHBondContact CE-O 3.34Å; K475-H534 HydrophobicContact CG-CB 4.2Å; S491-H534 PolarHBondContact OG-ND1 3.44Å; I529-H534 PolarHBondContact O-N 3.5Å; A530-H534 WeakPolarHBondContact O-CB 3.43Å; H534-S536 VanDerWaalsContact C-N 3.32Å; H534-S536 PolarHBondContact O-N 3.07Å
535	G	95.9	Very high	97.4	Very high	16 Å²	16	29.9 Å²	29.9	17%	0.165	14%	0.143	C	C	.	.			trans	62.6	37.2	-172.2	0	0	0	0	0	112.1	R489 A530 K531 E533	R489-G535 PolarHBondContact NE-O 3.01Å; R489-G535 PolarHBondContact NH2-O 3.34Å; A530-G535 PolarHBondContact O-N 3.15Å; K531-G535 WeakPolarHBondContact O-CA 3.45Å; E533-G535 VanDerWaalsContact C-N 3.26Å
536	S	96.6	Very high	97.2	Very high	7 Å²	7	28.5 Å²	28.5	5%	0.049	14%	0.138	C	C	.	.			trans	-85.2	143.6	178.1	-61.8	0	0	0	0	111.4	R489 S491 A530 H534	R489-S536 CarbonylContact O-C 3.6Å; R489-S536 WeakPolarHBondContact O-CA 3.47Å; R489-S536 WeakPolarHBondContact O-CB 3.3Å; S491-S536 PolarHBondContact N-OG 2.9Å; S491-S536 WeakPolarHBondContact OG-CB 3.46Å; S491-S536 PolarHBondContact OG-OG 3.17Å; A530-S536 WeakPolarHBondContact O-CB 3.39Å; A530-S536 PolarHBondContact O-N 3.28Å; H534-S536 VanDerWaalsContact C-N 3.32Å; H534-S536 PolarHBondContact O-N 3.07Å
537	N	96.5	Very high	97	Very high	92 Å²	92	30.4 Å²	30.4	49%	0.492	15%	0.149	S	C	.	.	S	Bend	trans	-95.1	-11.5	171.8	66.3	-4.3	0	0	0	112.4	R489 L567	R489-N537 PolarHBondContact O-N 2.94Å; R489-N537 PolarHBondContact O-OD1 3.34Å; N537-L567 PolarHBondContact O-N 3.09Å
538	K	97.7	Very high	96.9	Very high	32 Å²	32	29.7 Å²	29.7	14%	0.139	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	141.7	179.2	-172.2	167.2	73.2	167.8	0	110.3	E485 T490 S491 D559 L566	E485-K538 WeakPolarHBondContact O-CE 3.37Å; E485-K538 PolarHBondContact O-NZ 2.96Å; T490-K538 WeakPolarHBondContact CA-O 3.43Å; T490-K538 HydrophobicContact CG2-CB 4.36Å; T490-K538 HydrophobicContact CG2-CG 4.47Å; S491-K538 PolarHBondContact N-O 3.05Å; K538-D559 IonicContact NZ-OD2 3.66Å; K538-D559 PolarHBondContact NZ-OD2 3.26Å; K538-L566 HydrophobicContact CB-CD2 4.25Å; K538-L566 HydrophobicContact CD-CD2 4.26Å; K538-L566 HydrophobicContact CG-CD2 4.29Å
539	I	98.4	Very high	96.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.7	167.1	-169.6	166.4	0	0	0	109.2	L473 S491 V493 A526 E527 A530 Y556 S564 K565 L567	L473-I539 HydrophobicContact CD1-CD1 4.18Å; S491-I539 CarbonylContact O-C 3.47Å; S491-I539 VanDerWaalsContact O-CA 3.32Å; S491-I539 WeakPolarHBondContact O-CA 3.46Å; V493-I539 HydrophobicContact CG2-CD1 3.79Å; V493-I539 HydrophobicContact CG2-CG1 4.11Å; A526-I539 HydrophobicContact CB-CD1 4.47Å; E527-I539 HydrophobicContact CG-CD1 4.13Å; E527-I539 HydrophobicContact CG-CG2 4.29Å; A530-I539 HydrophobicContact CB-CD1 4.13Å; I539-Y556 HydrophobicContact CG2-CE1 3.85Å; I539-Y556 WeakPolarHBondContact CG2-OH 3.33Å; I539-S564 CarbonylContact O-C 3.44Å; I539-S564 VanDerWaalsContact O-CA 3.27Å; I539-S564 WeakPolarHBondContact O-CA 3.24Å; I539-K565 HydrophobicContact CG2-CB 4.05Å; I539-K565 PolarHBondContact N-O 3.43Å; I539-K565 PolarHBondContact O-N 3.34Å; I539-L567 HydrophobicContact CB-CD1 4.18Å; I539-L567 HydrophobicContact CB-CD2 4.31Å; I539-L567 HydrophobicContact CB-CG 4.35Å; I539-L567 HydrophobicContact CG2-CD1 4.48Å; I539-L567 HydrophobicContact CG2-CD2 3.72Å; I539-L567 HydrophobicContact CG2-CG 4.15Å
540	A	98.4	Very high	96.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	154.7	176.2	0	0	0	0	0	110.4	L486 T490 S491 I492 V493 M563	L486-A540 HydrophobicContact CD2-CB 3.5Å; L486-A540 VanDerWaalsContact CD2-CB 3.5Å; T490-A540 HydrophobicContact CG2-CB 4.32Å; S491-A540 PolarHBondContact O-N 3.27Å; I492-A540 CarbonylContact C-O 3.41Å; I492-A540 WeakPolarHBondContact CA-O 3.45Å; I492-A540 HydrophobicContact CG1-CB 4.43Å; V493-A540 PolarHBondContact N-O 3.46Å; A540-M563 CarbonylContact C-O 3.52Å; A540-M563 WeakPolarHBondContact CA-O 3.49Å
541	V	98.6	Very high	96.5	Very high	2 Å²	2	33 Å²	33	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126.7	177.6	-170.6	0	0	0	0	109.4	V493 M523 S543 Y551 Y556 Y562 M563	V493-V541 HydrophobicContact CB-CB 4.37Å; V493-V541 HydrophobicContact CB-CG1 4.11Å; V493-V541 HydrophobicContact CB-CG2 4.04Å; V493-V541 HydrophobicContact CG1-CG1 4.23Å; V493-V541 HydrophobicContact CG2-CG2 4.31Å; M523-V541 HydrophobicContact CE-CG2 4.07Å; V541-S543 VanDerWaalsContact C-N 3.27Å; V541-S543 PolarHBondContact O-N 3Å; V541-Y551 HydrophobicContact CB-CE1 4.44Å; V541-Y551 HydrophobicContact CG1-CD1 4.28Å; V541-Y551 HydrophobicContact CG1-CE1 3.72Å; V541-Y551 HydrophobicContact CG1-CE2 4.11Å; V541-Y551 HydrophobicContact CG2-CD1 4.24Å; V541-Y551 HydrophobicContact CG2-CE1 4.28Å; V541-Y556 HydrophobicContact CG2-CD1 3.96Å; V541-Y556 HydrophobicContact CG2-CE1 3.55Å; V541-Y562 WeakPolarHBondContact O-CA 3.47Å; V541-M563 HydrophobicContact CB-CB 4.28Å; V541-M563 PolarHBondContact N-O 3.33Å; V541-M563 PolarHBondContact O-N 2.88Å
542	I	98.3	Very high	96.4	Very high	14 Å²	14	33.6 Å²	33.6	7%	0.072	16%	0.164	C	C	.	.			trans	-79.3	77.9	168.6	-176.6	166.3	0	0	0	110.2	L256 T261 G298 F299 V493 R494 Y562	L256-I542 HydrophobicContact CD2-CD1 3.69Å; L256-I542 HydrophobicContact CD2-CG1 4.36Å; T261-I542 HydrophobicContact CG2-CG1 4.31Å; G298-I542 WeakPolarHBondContact O-CG2 3.38Å; F299-I542 HydrophobicContact CD1-CD1 3.85Å; F299-I542 HydrophobicContact CE1-CD1 4.15Å; F299-I542 HydrophobicContact CG-CD1 4.14Å; V493-I542 WeakPolarHBondContact O-CG2 3.05Å; V493-I542 PolarHBondContact O-N 2.98Å; R494-I542 WeakPolarHBondContact O-CG2 3.49Å; I542-Y562 HydrophobicContact CB-CD1 4.36Å; I542-Y562 HydrophobicContact CB-CE1 4.44Å
543	S	96.8	Very high	96.3	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.042	17%	0.172	C	C	.	.			trans	-80.2	135.6	-178.9	176.9	0	0	0	0	111.7	V541 T547 R548 Y551	V541-S543 VanDerWaalsContact C-N 3.27Å; V541-S543 PolarHBondContact O-N 3Å; S543-T547 PolarHBondContact OG-OG1 3.5Å; S543-R548 PolarHBondContact OG-N 3.44Å; S543-Y551 WeakPolarHBondContact OG-CD2 3.43Å; S543-Y551 VanDerWaalsContact OG-CE2 3.28Å; S543-Y551 WeakPolarHBondContact OG-CE2 3.47Å
544	G	95.3	Very high	96.2	Very high	3 Å²	3	33.8 Å²	33.8	3%	0.031	17%	0.165	C	C	.	.			trans	-55.2	147.5	159.9	0	0	0	0	0	111	I236 G546 T547 R548	I236-G544 WeakPolarHBondContact O-CA 3.49Å; G544-G546 VanDerWaalsContact C-N 3.27Å; G544-G546 PolarHBondContact O-N 3.49Å; G544-T547 PolarHBondContact N-OG1 3.47Å; G544-T547 PolarHBondContact O-N 3Å; G544-T547 PolarHBondContact O-OG1 2.87Å; G544-R548 PolarHBondContact O-N 3.45Å
545	V	96.3	Very high	96.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-55.6	-44.8	-174.8	176.2	0	0	0	0	111.1	V225 E229 C235 T547 R548	V225-V545 HydrophobicContact CG1-CG1 3.94Å; V225-V545 HydrophobicContact CG1-CG2 3.8Å; V225-V545 HydrophobicContact CG2-CG2 4.36Å; V225-V545 VanDerWaalsContact O-CG1 3.32Å; V225-V545 WeakPolarHBondContact O-CG1 3.44Å; E229-V545 HydrophobicContact CB-CG1 3.96Å; E229-V545 WeakPolarHBondContact CG-O 3.23Å; C235-V545 PolarHBondContact O-N 3.03Å; V545-T547 PolarHBondContact O-N 3.19Å; V545-R548 PolarHBondContact O-N 2.88Å
546	G	94.2	Very high	96.3	Very high	7 Å²	7	35.4 Å²	35.4	7%	0.072	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-69.8	-10.8	179.6	0	0	0	0	0	115.4	K234 C235 G544	K234-G546 WeakPolarHBondContact CD-O 3.16Å; C235-G546 WeakPolarHBondContact O-CA 3.41Å; C235-G546 PolarHBondContact O-N 3.41Å; G544-G546 VanDerWaalsContact C-N 3.27Å; G544-G546 PolarHBondContact O-N 3.49Å
547	T	94.1	Very high	96.4	Very high	39 Å²	39	38.5 Å²	38.5	24%	0.239	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-105.4	-4.5	179.8	55.2	0	0	0	0	114.1	I236 S543 G544 V545 N549 Y550 Y551	I236-T547 HydrophobicContact CB-CG2 4.12Å; I236-T547 HydrophobicContact CG2-CG2 3.79Å; S543-T547 PolarHBondContact OG-OG1 3.5Å; G544-T547 PolarHBondContact N-OG1 3.47Å; G544-T547 PolarHBondContact O-N 3Å; G544-T547 PolarHBondContact O-OG1 2.87Å; V545-T547 PolarHBondContact O-N 3.19Å; T547-N549 VanDerWaalsContact C-N 3.25Å; T547-N549 PolarHBondContact O-N 3.39Å; T547-Y550 VanDerWaalsContact O-CB 3.26Å; T547-Y550 WeakPolarHBondContact O-CB 3.5Å; T547-Y550 PolarHBondContact O-N 3.29Å; T547-Y551 WeakPolarHBondContact O-CD2 3.49Å
548	R	96.3	Very high	96.4	Very high	19 Å²	19	38 Å²	38	7%	0.072	20%	0.201	C	C	.	.	H	α-helix	trans	-54.8	-39.4	-178.3	-70.4	176.1	170.2	169.8	-3.8	113.5	E229 S543 G544 V545 Y550 Y551 R552 M563	E229-R548 HydrophobicContact CG-CB 4.36Å; E229-R548 WeakPolarHBondContact OE2-CD 3.47Å; E229-R548 IonicContact OE2-NH1 3.45Å; S543-R548 PolarHBondContact OG-N 3.44Å; G544-R548 PolarHBondContact O-N 3.45Å; V545-R548 PolarHBondContact O-N 2.88Å; R548-Y550 PolarHBondContact O-N 3.15Å; R548-Y551 PolarHBondContact O-N 2.87Å; R548-Y551 VanDerWaalsContact O-N 3.13Å; R548-R552 PolarHBondContact O-N 3.1Å; R548-M563 HydrophobicContact CB-CG 4.41Å; R548-M563 HydrophobicContact CB-SD 3.78Å; R548-M563 HydrophobicContact CG-CG 4.12Å; R548-M563 HydrophobicContact CG-SD 3.74Å
549	N	94.1	Very high	96.3	Very high	64 Å²	64	38.8 Å²	38.8	34%	0.342	21%	0.207	S	C	.	.	H	α-helix	trans	-63.1	-24.5	176.9	-78	-41.1	0	0	0	114.3	T547 R552 K553	T547-N549 VanDerWaalsContact C-N 3.25Å; T547-N549 PolarHBondContact O-N 3.39Å; N549-R552 PolarHBondContact OD1-NH1 3.48Å; N549-K553 WeakPolarHBondContact O-CG 3.47Å
550	Y	93.2	Very high	96.2	Very high	81 Å²	81	41 Å²	41	32%	0.318	23%	0.229	S	C	.	.	H	α-helix	trans	-66.3	-49	172.2	170.4	-94.4	0	0	0	110.2	L496 G519 I520 T547 R548 R552 K553 L554	L496-Y550 HydrophobicContact CD2-CE1 3.71Å; G519-Y550 PolarHBondContact O-OH 3.06Å; I520-Y550 PolarHBondContact N-OH 2.86Å; T547-Y550 VanDerWaalsContact O-CB 3.26Å; T547-Y550 WeakPolarHBondContact O-CB 3.5Å; T547-Y550 PolarHBondContact O-N 3.29Å; R548-Y550 PolarHBondContact O-N 3.15Å; Y550-R552 VanDerWaalsContact C-N 3.35Å; Y550-R552 PolarHBondContact O-N 2.88Å; Y550-K553 WeakPolarHBondContact O-CB 3.5Å; Y550-K553 PolarHBondContact O-N 3.37Å; Y550-L554 HydrophobicContact CD1-CD1 4.32Å; Y550-L554 HydrophobicContact CE1-CD1 3.68Å
551	Y	96.5	Very high	96.1	Very high	14 Å²	14	41.9 Å²	41.9	6%	0.055	24%	0.235	C	C	.	.	H	α-helix	trans	-67.4	-32.8	179.4	-60.7	-74.3	0	0	0	112.8	L496 M523 V541 S543 T547 R548 K553 L554 G555 Y556 M563	L496-Y551 HydrophobicContact CD2-CE1 4.26Å; M523-Y551 HydrophobicContact CE-CD1 4.5Å; M523-Y551 HydrophobicContact CE-CE1 4.4Å; M523-Y551 HydrophobicContact SD-CE1 4.16Å; V541-Y551 HydrophobicContact CB-CE1 4.44Å; V541-Y551 HydrophobicContact CG1-CD1 4.28Å; V541-Y551 HydrophobicContact CG1-CE1 3.72Å; V541-Y551 HydrophobicContact CG1-CE2 4.11Å; V541-Y551 HydrophobicContact CG2-CD1 4.24Å; V541-Y551 HydrophobicContact CG2-CE1 4.28Å; S543-Y551 WeakPolarHBondContact OG-CD2 3.43Å; S543-Y551 VanDerWaalsContact OG-CE2 3.28Å; S543-Y551 WeakPolarHBondContact OG-CE2 3.47Å; T547-Y551 WeakPolarHBondContact O-CD2 3.49Å; R548-Y551 PolarHBondContact O-N 2.87Å; R548-Y551 VanDerWaalsContact O-N 3.13Å; Y551-K553 PolarHBondContact O-N 3.3Å; Y551-L554 CarbonylContact O-C 3.45Å; Y551-L554 WeakPolarHBondContact O-CA 3.07Å; Y551-L554 WeakPolarHBondContact O-CB 3.44Å; Y551-L554 PolarHBondContact O-N 3.44Å; Y551-G555 PolarHBondContact O-N 3.04Å; Y551-Y556 WeakPolarHBondContact O-CB 2.92Å; Y551-Y556 WeakPolarHBondContact O-CD2 3.36Å; Y551-Y556 PolarHBondContact O-N 2.99Å; Y551-Y556 VanDerWaalsContact O-N 3.13Å; Y551-M563 HydrophobicContact CD2-CG 4.28Å; Y551-M563 HydrophobicContact CG-CB 4.45Å; Y551-M563 HydrophobicContact CG-CG 4.44Å
552	R	96.6	Very high	96.1	Very high	81 Å²	81	41.8 Å²	41.8	31%	0.306	23%	0.234	S	C	.	.	H	α-helix	trans	-57.8	-37.1	172.9	-68.8	-169.4	-170	94.4	0.8	113.1	E229 R548 N549 Y550 L554 G555 Y556 M563	E229-R552 VanDerWaalsContact CD-NH1 3.34Å; E229-R552 IonicContact OE1-CZ 2.74Å; E229-R552 IonicContact OE1-NH1 3.72Å; E229-R552 PolarHBondContact OE1-NH1 2.81Å; E229-R552 IonicContact OE1-NH2 3.7Å; E229-R552 PolarHBondContact OE1-NH2 3.33Å; E229-R552 IonicContact OE2-CZ 2.71Å; E229-R552 IonicContact OE2-NH1 3.33Å; E229-R552 IonicContact OE2-NH2 3.39Å; E229-R552 PolarHBondContact OE2-NH2 2.69Å; R548-R552 PolarHBondContact O-N 3.1Å; N549-R552 PolarHBondContact OD1-NH1 3.48Å; Y550-R552 VanDerWaalsContact C-N 3.35Å; Y550-R552 PolarHBondContact O-N 2.88Å; R552-L554 PolarHBondContact O-N 2.67Å; R552-G555 PolarHBondContact O-N 2.85Å; R552-G555 VanDerWaalsContact O-N 3.11Å; R552-Y556 WeakPolarHBondContact CA-O 3.44Å; R552-M563 HydrophobicContact CG-CE 3.55Å
553	K	94.7	Very high	96.1	Very high	183 Å²	183	41.1 Å²	41.1	80%	0.796	23%	0.231	S	C	*	.	H	α-helix	trans	-67	-20.6	175.7	-64.9	177.3	-177.4	-172.4	0	113	N549 Y550 Y551 G555	N549-K553 WeakPolarHBondContact O-CG 3.47Å; Y550-K553 WeakPolarHBondContact O-CB 3.5Å; Y550-K553 PolarHBondContact O-N 3.37Å; Y551-K553 PolarHBondContact O-N 3.3Å; K553-G555 VanDerWaalsContact C-N 3.34Å
554	L	94.9	Very high	96.2	Very high	36 Å²	36	41.2 Å²	41.2	19%	0.188	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	8.1	175.9	-57.1	177.9	0	0	0	112.7	I520 M523 Y550 Y551 R552 Y556	I520-L554 HydrophobicContact CD1-CD2 4.43Å; I520-L554 HydrophobicContact CG1-CD2 4.08Å; I520-L554 HydrophobicContact CG2-CD2 4.32Å; M523-L554 HydrophobicContact CB-CD1 4.41Å; M523-L554 HydrophobicContact CG-CD1 4.17Å; Y550-L554 HydrophobicContact CD1-CD1 4.32Å; Y550-L554 HydrophobicContact CE1-CD1 3.68Å; Y551-L554 CarbonylContact O-C 3.45Å; Y551-L554 WeakPolarHBondContact O-CA 3.07Å; Y551-L554 WeakPolarHBondContact O-CB 3.44Å; Y551-L554 PolarHBondContact O-N 3.44Å; R552-L554 PolarHBondContact O-N 2.67Å; L554-Y556 HydrophobicContact CB-CD2 3.93Å; L554-Y556 HydrophobicContact CB-CE2 4.09Å
555	G	96.9	Very high	96.3	Very high	54 Å²	54	43.9 Å²	43.9	56%	0.557	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.5	13.5	178.4	0	0	0	0	0	115.2	Y551 R552 K553	Y551-G555 PolarHBondContact O-N 3.04Å; R552-G555 PolarHBondContact O-N 2.85Å; R552-G555 VanDerWaalsContact O-N 3.11Å; K553-G555 VanDerWaalsContact C-N 3.34Å
556	Y	98	Very high	96.3	Very high	7 Å²	7	49.6 Å²	49.6	3%	0.027	27%	0.272	C	S	.	.			trans	-84.9	145.4	174.8	-68.2	-110.8	0	0	0	111.3	M523 E527 I539 V541 Y551 R552 L554 M563 S564 K565	M523-Y556 HydrophobicContact CE-CE1 4.31Å; M523-Y556 HydrophobicContact CE-CE2 4.02Å; M523-Y556 WeakPolarHBondContact CE-OH 3.32Å; E527-Y556 VanDerWaalsContact OE1-CE2 3.29Å; E527-Y556 WeakPolarHBondContact OE1-CE2 3.49Å; E527-Y556 PolarHBondContact OE1-OH 3.04Å; I539-Y556 HydrophobicContact CG2-CE1 3.85Å; I539-Y556 WeakPolarHBondContact CG2-OH 3.33Å; V541-Y556 HydrophobicContact CG2-CD1 3.96Å; V541-Y556 HydrophobicContact CG2-CE1 3.55Å; Y551-Y556 WeakPolarHBondContact O-CB 2.92Å; Y551-Y556 WeakPolarHBondContact O-CD2 3.36Å; Y551-Y556 PolarHBondContact O-N 2.99Å; Y551-Y556 VanDerWaalsContact O-N 3.13Å; R552-Y556 WeakPolarHBondContact CA-O 3.44Å; L554-Y556 HydrophobicContact CB-CD2 3.93Å; L554-Y556 HydrophobicContact CB-CE2 4.09Å; Y556-M563 HydrophobicContact CD1-CB 4.31Å; Y556-M563 WeakPolarHBondContact CD1-O 3.06Å; Y556-S564 WeakPolarHBondContact CA-O 3.18Å; Y556-K565 HydrophobicContact CD1-CB 3.7Å; Y556-K565 HydrophobicContact CD2-CB 4.27Å; Y556-K565 HydrophobicContact CD2-CD 4.11Å; Y556-K565 HydrophobicContact CE2-CB 4.23Å; Y556-K565 HydrophobicContact CE2-CD 3.75Å; Y556-K565 HydrophobicContact CG-CB 3.99Å; Y556-K565 HydrophobicContact CE1-CB 3.69Å
557	S	97.9	Very high	96.3	Very high	73 Å²	73	50.4 Å²	50.4	51%	0.51	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	161.6	171.2	57.3	0	0	0	0	110.9	M563 S564	S557-M563 CarbonylContact O-C 3.58Å; S557-M563 VanDerWaalsContact O-CA 3.27Å; S557-M563 WeakPolarHBondContact O-CA 3.11Å; S557-S564 PolarHBondContact N-O 2.71Å; S557-S564 PolarHBondContact O-N 2.87Å
558	L	97.3	Very high	95.5	Very high	81 Å²	81	56.4 Å²	56.4	42%	0.424	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	124.1	175.1	-172.5	72.7	0	0	0	108.9	Y562 M563	L558-Y562 WeakPolarHBondContact CD1-O 3.07Å; L558-M563 HydrophobicContact CB-SD 4.24Å; L558-M563 HydrophobicContact CD1-SD 3.78Å
559	D	96.6	Very high	95.5	Very high	49 Å²	49	58.3 Å²	58.3	26%	0.262	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	95.8	-178.5	179	14.1	0	0	0	107.9	K538 Y562 S564	K538-D559 IonicContact NZ-OD2 3.66Å; K538-D559 PolarHBondContact NZ-OD2 3.26Å; D559-Y562 PolarHBondContact N-O 3.14Å; D559-Y562 PolarHBondContact O-N 2.99Å; D559-S564 WeakPolarHBondContact CB-OG 3.29Å; D559-S564 PolarHBondContact OD2-OG 2.87Å
560	G	95.6	Very high	95.6	Very high	46 Å²	46	58 Å²	58	47%	0.474	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	-125.9	-167.8	0	0	0	0	0	111.6	Y562	G560-Y562 VanDerWaalsContact C-N 3.32Å
561	P	96.4	Very high	95.7	Very high	20 Å²	20	56.7 Å²	56.7	13%	0.13	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-11	176.1	32.2	-32.2	0	0	0	113.7	L256 E485	L256-P561 HydrophobicContact CB-CB 3.88Å; L256-P561 HydrophobicContact CB-CG 4.04Å; L256-P561 HydrophobicContact CD1-CG 4.05Å; L256-P561 HydrophobicContact CG-CG 4.45Å; E485-P561 WeakPolarHBondContact OE1-CD 3.46Å
562	Y	98.4	Very high	95.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	161.8	-172.1	-53.2	-75.5	0	0	0	112.8	L256 A297 R483 E485 L486 I492 V541 I542 L558 D559 G560	L256-Y562 VanDerWaalsContact CD1-OH 3.3Å; L256-Y562 WeakPolarHBondContact CD1-OH 3.17Å; L256-Y562 HydrophobicContact CD2-CE1 4.3Å; A297-Y562 PolarHBondContact O-OH 2.91Å; R483-Y562 HydrophobicContact CB-CE2 4.46Å; R483-Y562 WeakPolarHBondContact CG-OH 3.28Å; E485-Y562 HydrophobicContact CB-CD2 3.88Å; E485-Y562 HydrophobicContact CB-CE2 4.11Å; E485-Y562 HydrophobicContact CG-CD2 4.29Å; L486-Y562 HydrophobicContact CD1-CE1 4.18Å; L486-Y562 HydrophobicContact CD1-CE2 4.09Å; L486-Y562 WeakPolarHBondContact CD1-OH 3.33Å; L486-Y562 HydrophobicContact CD2-CD2 4.26Å; L486-Y562 HydrophobicContact CD2-CE2 4.14Å; L486-Y562 HydrophobicContact CG-CD2 4.5Å; L486-Y562 HydrophobicContact CG-CE2 3.91Å; I492-Y562 HydrophobicContact CD1-CD1 4.08Å; I492-Y562 HydrophobicContact CD1-CE1 3.76Å; V541-Y562 WeakPolarHBondContact O-CA 3.47Å; I542-Y562 HydrophobicContact CB-CD1 4.36Å; I542-Y562 HydrophobicContact CB-CE1 4.44Å; L558-Y562 WeakPolarHBondContact CD1-O 3.07Å; D559-Y562 PolarHBondContact N-O 3.14Å; D559-Y562 PolarHBondContact O-N 2.99Å; G560-Y562 VanDerWaalsContact C-N 3.32Å
563	M	98.3	Very high	95.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	118.1	159.8	-61.4	-60.6	-56.4	0	0	107.8	A540 V541 R548 Y551 R552 Y556 S557 L558	A540-M563 CarbonylContact C-O 3.52Å; A540-M563 WeakPolarHBondContact CA-O 3.49Å; V541-M563 HydrophobicContact CB-CB 4.28Å; V541-M563 PolarHBondContact N-O 3.33Å; V541-M563 PolarHBondContact O-N 2.88Å; R548-M563 HydrophobicContact CB-CG 4.41Å; R548-M563 HydrophobicContact CB-SD 3.78Å; R548-M563 HydrophobicContact CG-CG 4.12Å; R548-M563 HydrophobicContact CG-SD 3.74Å; Y551-M563 HydrophobicContact CD2-CG 4.28Å; Y551-M563 HydrophobicContact CG-CB 4.45Å; Y551-M563 HydrophobicContact CG-CG 4.44Å; R552-M563 HydrophobicContact CG-CE 3.55Å; Y556-M563 HydrophobicContact CD1-CB 4.31Å; Y556-M563 WeakPolarHBondContact CD1-O 3.06Å; S557-M563 CarbonylContact O-C 3.58Å; S557-M563 VanDerWaalsContact O-CA 3.27Å; S557-M563 WeakPolarHBondContact O-CA 3.11Å; L558-M563 HydrophobicContact CB-SD 4.24Å; L558-M563 HydrophobicContact CD1-SD 3.78Å
564	S	98.1	Very high	95.7	Very high	8 Å²	8	49.5 Å²	49.5	6%	0.056	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	157.9	-177.5	76.9	0	0	0	0	113.1	I539 Y556 S557 D559	I539-S564 CarbonylContact O-C 3.44Å; I539-S564 VanDerWaalsContact O-CA 3.27Å; I539-S564 WeakPolarHBondContact O-CA 3.24Å; Y556-S564 WeakPolarHBondContact CA-O 3.18Å; S557-S564 PolarHBondContact N-O 2.71Å; S557-S564 PolarHBondContact O-N 2.87Å; D559-S564 WeakPolarHBondContact CB-OG 3.29Å; D559-S564 PolarHBondContact OD2-OG 2.87Å
565	K	97.8	Very high	95.7	Very high	58 Å²	58	50.5 Å²	50.5	25%	0.252	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	135.6	178.4	-178.6	-179.5	174.6	-172.4	0	109.1	E527 I539 Y556	E527-K565 VanDerWaalsContact CD-NZ 3.34Å; E527-K565 IonicContact OE1-NZ 2.95Å; E527-K565 PolarHBondContact OE1-NZ 2.88Å; E527-K565 VanDerWaalsContact OE1-NZ 3.15Å; E527-K565 IonicContact OE2-NZ 3.05Å; E527-K565 PolarHBondContact OE2-NZ 2.69Å; I539-K565 HydrophobicContact CG2-CB 4.05Å; I539-K565 PolarHBondContact N-O 3.43Å; I539-K565 PolarHBondContact O-N 3.34Å; Y556-K565 HydrophobicContact CD1-CB 3.7Å; Y556-K565 HydrophobicContact CD2-CB 4.27Å; Y556-K565 HydrophobicContact CD2-CD 4.11Å; Y556-K565 HydrophobicContact CE2-CB 4.23Å; Y556-K565 HydrophobicContact CE2-CD 3.75Å; Y556-K565 HydrophobicContact CG-CB 3.99Å; Y556-K565 HydrophobicContact CE1-CB 3.69Å
566	L	96.8	Very high	95.6	Very high	122 Å²	122	50.2 Å²	50.2	64%	0.639	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	136.3	172.3	-65.6	176.1	0	0	0	109.8	K538 T568	K538-L566 HydrophobicContact CB-CD2 4.25Å; K538-L566 HydrophobicContact CD-CD2 4.26Å; K538-L566 HydrophobicContact CG-CD2 4.29Å; L566-T568 PolarHBondContact O-N 3.46Å
567	L	93.9	Very high	95.4	Very high	23 Å²	23	53.8 Å²	53.8	12%	0.12	32%	0.324	C	S	.	.			trans	-95.9	87.9	178	-59.7	175.9	0	0	0	108.1	E527 A530 K531 N537 I539	E527-L567 HydrophobicContact CB-CD2 4.11Å; E527-L567 HydrophobicContact CG-CD2 4.09Å; A530-L567 HydrophobicContact CB-CD1 3.71Å; K531-L567 HydrophobicContact CB-CB 4.43Å; K531-L567 HydrophobicContact CB-CD1 4.18Å; N537-L567 PolarHBondContact O-N 3.09Å; I539-L567 HydrophobicContact CB-CD1 4.18Å; I539-L567 HydrophobicContact CB-CD2 4.31Å; I539-L567 HydrophobicContact CB-CG 4.35Å; I539-L567 HydrophobicContact CG2-CD1 4.48Å; I539-L567 HydrophobicContact CG2-CD2 3.72Å; I539-L567 HydrophobicContact CG2-CG 4.15Å
568	T	78	Confident	95.2	Very high	166 Å²	166	52.1 Å²	52.1	100%	1.018	31%	0.307	S	S	*	.			trans	-74.2	0	172	54.2	0	0	0	0	111.2	K531 L566	K531-T568 WeakPolarHBondContact CE-OXT 3.34Å; K531-T568 PolarHBondContact NZ-O 3.22Å; K531-T568 PolarHBondContact NZ-OXT 2.91Å; L566-T568 PolarHBondContact O-N 3.46Å

Retrieved 568 of 568 residues in 416.3 ms (Link to these results)

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