A0A087YGN7_POEFO Loading...

Serine/threonine-protein phosphatase with EF-hands

AlphaFold DB , UniProt , Accession A0A087YGN7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 730 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	38.1	Very low	37.7	Very low	247 Å²	247	132 Å²	132	100%	1.217	85%	0.851	S	S	*	*				0	154.1	0	-68.6	-161.9	-70.1	0	0	108.5
2	G	37.3	Very low	38.5	Very low	72 Å²	72	133.1 Å²	133.1	74%	0.742	85%	0.854	S	S	*	*			trans	104.9	142.6	172.4	0	0	0	0	0	114.6
3	C	29.7	Very low	39.6	Very low	143 Å²	143	137.9 Å²	137.9	97%	0.966	85%	0.853	S	S	*	*			trans	60.8	130.8	175.4	-57.9	0	0	0	0	116.9
4	G	31.9	Very low	40.7	Very low	73 Å²	73	135.5 Å²	135.5	75%	0.753	84%	0.844	S	S	*	*			cis	178.1	144.6	-9.3	0	0	0	0	0	111.1
5	T	36.5	Very low	41.7	Very low	137 Å²	137	132.1 Å²	132.1	84%	0.84	83%	0.825	S	S	*	*			trans	-125.9	117	-179.5	38.2	0	0	0	0	111.1	V7	T5-V7 PolarHBondContact O-N 3.44Å
6	S	38.3	Very low	43.3	Very low	123 Å²	123	128 Å²	128	86%	0.86	80%	0.802	S	S	*	*			trans	-73.9	104.8	174.9	52.5	0	0	0	0	110.6
7	V	40.5	Very low	44.3	Very low	133 Å²	133	126.3 Å²	126.3	81%	0.806	79%	0.793	S	S	*	*			trans	-73.3	130.9	167.4	-177.8	0	0	0	0	108.4	T5	T5-V7 PolarHBondContact O-N 3.44Å
8	A	40.8	Very low	45.2	Very low	85 Å²	85	122.4 Å²	122.4	70%	0.702	77%	0.774	S	S	*	*			trans	-71.9	136.1	179.9	0	0	0	0	0	111.3	E10	A8-E10 PolarHBondContact O-N 2.62Å
9	N	39.2	Very low	45.9	Very low	167 Å²	167	121.6 Å²	121.6	89%	0.893	76%	0.763	S	S	*	*			trans	-70.7	96.7	170.8	-85.3	-22.4	0	0	0	110.1	A11	N9-A11 PolarHBondContact O-N 3.38Å
10	E	40.8	Very low	46.3	Very low	185 Å²	185	119.2 Å²	119.2	86%	0.864	75%	0.748	S	S	*	*			trans	-67.2	100.6	161.1	-72.1	-156	139.1	0	0	109.2	A8 V12	A8-E10 PolarHBondContact O-N 2.62Å; E10-V12 PolarHBondContact O-N 2.99Å
11	A	41.9	Very low	46.7	Very low	87 Å²	87	119.9 Å²	119.9	72%	0.719	74%	0.744	S	S	*	*			trans	-63.5	108.5	175.9	0	0	0	0	0	110.1	N9 K13	N9-A11 PolarHBondContact O-N 3.38Å; A11-K13 PolarHBondContact O-N 3.36Å
12	V	47	Very low	47.4	Very low	145 Å²	145	114.8 Å²	114.8	88%	0.879	72%	0.715	S	S	*	*			trans	-61.2	96.9	177	-179.3	0	0	0	0	109.2	E10 S14	E10-V12 PolarHBondContact O-N 2.99Å; V12-S14 PolarHBondContact O-N 3.48Å; V12-S14 VanDerWaalsContact O-N 3.16Å
13	K	53.2	Low	47.9	Very low	196 Å²	196	113.6 Å²	113.6	85%	0.852	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-62.9	116.9	177.7	-72.8	178.7	178.6	172.8	0	109.1	A11	A11-K13 PolarHBondContact O-N 3.36Å
14	S	54.2	Low	48.5	Very low	104 Å²	104	108.9 Å²	108.9	73%	0.727	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-55.2	134.8	171	49.5	0	0	0	0	109.8	V12 S16	V12-S14 PolarHBondContact O-N 3.48Å; V12-S14 VanDerWaalsContact O-N 3.16Å; S14-S16 PolarHBondContact O-N 3.45Å
15	P	55.7	Low	49.7	Very low	85 Å²	85	109.8 Å²	109.8	55%	0.552	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-62.7	130.6	-177.5	25.1	-33.5	0	0	0	109.4	L19	P15-L19 HydrophobicContact CB-CD2 4.31Å
16	S	67.6	Low	50.4	Low	66 Å²	66	108.6 Å²	108.6	46%	0.462	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-59.2	144.9	-174.4	70.2	0	0	0	0	110.8	S14 A18 L19 T20	S14-S16 PolarHBondContact O-N 3.45Å; S16-A18 PolarHBondContact O-N 3.12Å; S16-L19 WeakPolarHBondContact O-CA 3.38Å; S16-L19 VanDerWaalsContact O-CB 3.3Å; S16-L19 WeakPolarHBondContact O-CB 3.38Å; S16-L19 PolarHBondContact O-N 2.72Å; S16-T20 PolarHBondContact O-N 2.88Å; S16-T20 VanDerWaalsContact O-N 3.1Å; S16-T20 PolarHBondContact O-OG1 3.16Å
17	P	60.3	Low	50.9	Low	99 Å²	99	108 Å²	108	64%	0.643	63%	0.634	S	S	*	*	H	α-helix	trans	-53.8	-35	-176.1	-29.7	35.9	0	0	0	113.5	L19 T20 M21	P17-L19 PolarHBondContact O-N 2.95Å; P17-T20 PolarHBondContact O-N 3.49Å; P17-M21 WeakPolarHBondContact O-CB 3.46Å; P17-M21 WeakPolarHBondContact O-CG 3.25Å; P17-M21 PolarHBondContact O-N 2.98Å
18	A	60.9	Low	51.1	Low	56 Å²	56	106.8 Å²	106.8	46%	0.463	62%	0.619	S	S	.	*	H	α-helix	trans	-66.5	-30.4	174.7	0	0	0	0	0	113.9	S16 K22	S16-A18 PolarHBondContact O-N 3.12Å; A18-K22 WeakPolarHBondContact O-CB 3.22Å; A18-K22 WeakPolarHBondContact O-CD 3.31Å; A18-K22 WeakPolarHBondContact O-CG 3.44Å; A18-K22 PolarHBondContact O-N 3.38Å
19	L	57.9	Low	51.4	Low	107 Å²	107	109.6 Å²	109.6	56%	0.56	61%	0.612	S	S	*	*	H	α-helix	trans	-72.3	-45.3	172.8	-153.1	87.2	0	0	0	110.4	P15 S16 P17 K22 A23	P15-L19 HydrophobicContact CB-CD2 4.31Å; S16-L19 WeakPolarHBondContact O-CA 3.38Å; S16-L19 VanDerWaalsContact O-CB 3.3Å; S16-L19 WeakPolarHBondContact O-CB 3.38Å; S16-L19 PolarHBondContact O-N 2.72Å; P17-L19 PolarHBondContact O-N 2.95Å; L19-K22 PolarHBondContact O-N 2.76Å; L19-A23 PolarHBondContact O-N 3.04Å
20	T	55.1	Low	52.4	Low	74 Å²	74	109.2 Å²	109.2	45%	0.454	60%	0.598	S	S	.	*	H	α-helix	trans	-62.7	-43.1	178.3	-53.5	0	0	0	0	111.8	S16 P17 A23 A24	S16-T20 PolarHBondContact O-N 2.88Å; S16-T20 VanDerWaalsContact O-N 3.1Å; S16-T20 PolarHBondContact O-OG1 3.16Å; P17-T20 PolarHBondContact O-N 3.49Å; T20-A23 PolarHBondContact O-N 3.14Å; T20-A24 WeakPolarHBondContact O-CB 3.39Å; T20-A24 PolarHBondContact O-N 3.19Å
21	M	54.8	Low	52.5	Low	134 Å²	134	106.4 Å²	106.4	66%	0.66	58%	0.58	S	S	*	*	H	α-helix	trans	-62.7	-42.4	172.7	-72.9	-178.9	-178.5	0	0	112.3	P17 A23 A24 V25	P17-M21 WeakPolarHBondContact O-CB 3.46Å; P17-M21 WeakPolarHBondContact O-CG 3.25Å; P17-M21 PolarHBondContact O-N 2.98Å; M21-A23 PolarHBondContact O-N 3.44Å; M21-A24 PolarHBondContact O-N 3Å; M21-V25 WeakPolarHBondContact O-CG2 3.23Å; M21-V25 PolarHBondContact O-N 3.15Å
22	K	51.9	Low	52.7	Low	140 Å²	140	110.8 Å²	110.8	61%	0.609	58%	0.578	S	S	*	*	H	α-helix	trans	-61.7	-42.2	175	-77	169.7	-176.4	178	0	111.7	A18 L19 V25 L26	A18-K22 WeakPolarHBondContact O-CB 3.22Å; A18-K22 WeakPolarHBondContact O-CD 3.31Å; A18-K22 WeakPolarHBondContact O-CG 3.44Å; A18-K22 PolarHBondContact O-N 3.38Å; L19-K22 PolarHBondContact O-N 2.76Å; K22-V25 PolarHBondContact O-N 2.93Å; K22-L26 WeakPolarHBondContact O-CB 3.38Å; K22-L26 VanDerWaalsContact O-CG 3.3Å; K22-L26 WeakPolarHBondContact O-CG 3.37Å; K22-L26 PolarHBondContact O-N 3.22Å
23	A	47.3	Very low	52.6	Low	46 Å²	46	111 Å²	111	38%	0.38	56%	0.563	S	S	.	*	H	α-helix	trans	-62.3	-47.2	174.8	0	0	0	0	0	111.7	L19 T20 M21 V25 L26 I27	L19-A23 PolarHBondContact O-N 3.04Å; T20-A23 PolarHBondContact O-N 3.14Å; M21-A23 PolarHBondContact O-N 3.44Å; A23-V25 PolarHBondContact O-N 3.37Å; A23-L26 PolarHBondContact O-N 2.73Å; A23-L26 VanDerWaalsContact O-N 3.17Å; A23-I27 VanDerWaalsContact O-CG1 3.31Å; A23-I27 WeakPolarHBondContact O-CG1 3.37Å; A23-I27 PolarHBondContact O-N 2.92Å
24	A	42.8	Very low	52	Low	45 Å²	45	106.9 Å²	106.9	37%	0.372	54%	0.543	S	S	.	.	H	α-helix	trans	-59.5	-43.9	177.1	0	0	0	0	0	112.5	T20 M21 L26 I27 Q28	T20-A24 WeakPolarHBondContact O-CB 3.39Å; T20-A24 PolarHBondContact O-N 3.19Å; M21-A24 PolarHBondContact O-N 3Å; A24-L26 PolarHBondContact O-N 3.29Å; A24-I27 PolarHBondContact O-N 2.82Å; A24-Q28 WeakPolarHBondContact O-CB 3.22Å; A24-Q28 WeakPolarHBondContact O-CG 3.36Å; A24-Q28 PolarHBondContact O-N 3.2Å
25	V	56.4	Low	51.4	Low	91 Å²	91	105.9 Å²	105.9	55%	0.552	53%	0.528	S	S	*	.	H	α-helix	trans	-64.3	-38.4	175.7	170.6	0	0	0	0	111.7	M21 K22 A23 R29	M21-V25 WeakPolarHBondContact O-CG2 3.23Å; M21-V25 PolarHBondContact O-N 3.15Å; K22-V25 PolarHBondContact O-N 2.93Å; A23-V25 PolarHBondContact O-N 3.37Å; V25-R29 VanDerWaalsContact O-CB 3.23Å; V25-R29 WeakPolarHBondContact O-CB 3.35Å; V25-R29 PolarHBondContact O-N 2.84Å
26	L	51.2	Low	50.8	Low	112 Å²	112	104.1 Å²	104.1	59%	0.586	52%	0.52	S	S	*	.	H	α-helix	trans	-66.4	-42.2	174.6	-73.7	170.3	0	0	0	112.2	K22 A23 A24 R29 W30	K22-L26 WeakPolarHBondContact O-CB 3.38Å; K22-L26 VanDerWaalsContact O-CG 3.3Å; K22-L26 WeakPolarHBondContact O-CG 3.37Å; K22-L26 PolarHBondContact O-N 3.22Å; A23-L26 PolarHBondContact O-N 2.73Å; A23-L26 VanDerWaalsContact O-N 3.17Å; A24-L26 PolarHBondContact O-N 3.29Å; L26-R29 PolarHBondContact O-N 2.92Å; L26-W30 WeakPolarHBondContact O-CB 3.46Å; L26-W30 PolarHBondContact O-N 2.88Å
27	I	48.9	Very low	49.7	Very low	112 Å²	112	109.7 Å²	109.7	57%	0.574	53%	0.531	S	S	*	.	H	α-helix	trans	-62.8	-47.6	175.3	-68.5	163.9	0	0	0	110.4	A23 A24 R29 W30 Y31	A23-I27 VanDerWaalsContact O-CG1 3.31Å; A23-I27 WeakPolarHBondContact O-CG1 3.37Å; A23-I27 PolarHBondContact O-N 2.92Å; A24-I27 PolarHBondContact O-N 2.82Å; I27-R29 VanDerWaalsContact C-N 3.34Å; I27-R29 PolarHBondContact O-N 2.73Å; I27-W30 PolarHBondContact O-N 3.49Å; I27-Y31 WeakPolarHBondContact O-CB 3.46Å; I27-Y31 PolarHBondContact O-N 2.89Å
28	Q	44.5	Very low	48.9	Very low	106 Å²	106	108.4 Å²	108.4	50%	0.495	52%	0.518	S	S	.	.	H	α-helix	trans	-61.1	-40.6	175.3	-72.4	-176.2	10.2	0	0	112.2	A24 Y31 R32	A24-Q28 WeakPolarHBondContact O-CB 3.22Å; A24-Q28 WeakPolarHBondContact O-CG 3.36Å; A24-Q28 PolarHBondContact O-N 3.2Å; Q28-Y31 PolarHBondContact O-N 3.29Å; Q28-R32 WeakPolarHBondContact O-CB 3.33Å; Q28-R32 VanDerWaalsContact O-CG 3.3Å; Q28-R32 WeakPolarHBondContact O-CG 3.27Å; Q28-R32 PolarHBondContact O-N 2.88Å
29	R	48	Very low	48.2	Very low	145 Å²	145	108.5 Å²	108.5	55%	0.547	51%	0.509	S	S	.	.	H	α-helix	trans	-68.2	-36.5	177.4	-168.3	-179.7	-168.3	-168.2	6.5	112.1	V25 L26 I27 R33	V25-R29 VanDerWaalsContact O-CB 3.23Å; V25-R29 WeakPolarHBondContact O-CB 3.35Å; V25-R29 PolarHBondContact O-N 2.84Å; L26-R29 PolarHBondContact O-N 2.92Å; I27-R29 VanDerWaalsContact C-N 3.34Å; I27-R29 PolarHBondContact O-N 2.73Å; R29-R33 WeakPolarHBondContact O-CB 3.44Å; R29-R33 WeakPolarHBondContact O-CD 3.36Å; R29-R33 VanDerWaalsContact O-CG 3.25Å; R29-R33 WeakPolarHBondContact O-CG 3.48Å; R29-R33 PolarHBondContact O-N 2.92Å
30	W	60.7	Low	47.5	Very low	159 Å²	159	107.8 Å²	107.8	60%	0.602	51%	0.505	S	S	*	.	H	α-helix	trans	-66.1	-49	171.8	177.6	93.1	0	0	0	110.8	L26 I27 R32 R33 Y34	L26-W30 WeakPolarHBondContact O-CB 3.46Å; L26-W30 PolarHBondContact O-N 2.88Å; I27-W30 PolarHBondContact O-N 3.49Å; W30-R32 PolarHBondContact O-N 3.03Å; W30-R33 CarbonylContact O-C 3.55Å; W30-R33 WeakPolarHBondContact O-CB 3.49Å; W30-R33 PolarHBondContact O-N 3.37Å; W30-R33 VanDerWaalsContact O-N 3.13Å; W30-Y34 HydrophobicContact CH2-CD1 4.31Å; W30-Y34 HydrophobicContact CH2-CD2 4.21Å; W30-Y34 HydrophobicContact CH2-CG 4.03Å; W30-Y34 HydrophobicContact CZ2-CD2 4.14Å; W30-Y34 HydrophobicContact CZ2-CG 4.28Å; W30-Y34 HydrophobicContact CZ3-CG 4.4Å; W30-Y34 WeakPolarHBondContact O-CB 3.49Å; W30-Y34 PolarHBondContact O-N 2.86Å
31	Y	41.8	Very low	46.9	Very low	126 Å²	126	112.9 Å²	112.9	49%	0.494	52%	0.516	S	S	.	.	H	α-helix	trans	-59.9	-48.7	179.9	179.5	-103.7	0	0	0	112	I27 Q28 R33 Y34 M35	I27-Y31 WeakPolarHBondContact O-CB 3.46Å; I27-Y31 PolarHBondContact O-N 2.89Å; Q28-Y31 PolarHBondContact O-N 3.29Å; Y31-R33 VanDerWaalsContact C-N 3.29Å; Y31-R33 PolarHBondContact O-N 2.87Å; Y31-Y34 PolarHBondContact O-N 3.48Å; Y31-Y34 VanDerWaalsContact O-N 3.1Å; Y31-M35 HydrophobicContact CD1-CG 4.17Å; Y31-M35 HydrophobicContact CD2-CG 4.18Å; Y31-M35 HydrophobicContact CE1-CG 3.77Å; Y31-M35 HydrophobicContact CE2-CG 3.79Å; Y31-M35 HydrophobicContact CE2-SD 3.89Å; Y31-M35 HydrophobicContact CG-CG 4.36Å; Y31-M35 WeakPolarHBondContact O-CB 3.35Å; Y31-M35 WeakPolarHBondContact O-CG 3.48Å; Y31-M35 PolarHBondContact O-N 3.38Å
32	R	47.3	Very low	46.6	Very low	178 Å²	178	111.1 Å²	111.1	67%	0.672	50%	0.502	S	S	*	.	H	α-helix	trans	-58	-39.6	175	-69.9	177.9	-166.6	-167.6	6.8	112.2	Q28 W30 A36	Q28-R32 WeakPolarHBondContact O-CB 3.33Å; Q28-R32 VanDerWaalsContact O-CG 3.3Å; Q28-R32 WeakPolarHBondContact O-CG 3.27Å; Q28-R32 PolarHBondContact O-N 2.88Å; W30-R32 PolarHBondContact O-N 3.03Å; R32-A36 VanDerWaalsContact O-CB 3.3Å; R32-A36 WeakPolarHBondContact O-CB 3.25Å; R32-A36 PolarHBondContact O-N 3.41Å
33	R	44.7	Very low	46.4	Very low	151 Å²	151	111.5 Å²	111.5	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-70.3	-35.4	175.2	-76.6	171	164.8	-178.2	-7.9	113.1	R29 W30 Y31 R37	R29-R33 WeakPolarHBondContact O-CB 3.44Å; R29-R33 WeakPolarHBondContact O-CD 3.36Å; R29-R33 VanDerWaalsContact O-CG 3.25Å; R29-R33 WeakPolarHBondContact O-CG 3.48Å; R29-R33 PolarHBondContact O-N 2.92Å; W30-R33 CarbonylContact O-C 3.55Å; W30-R33 WeakPolarHBondContact O-CB 3.49Å; W30-R33 PolarHBondContact O-N 3.37Å; W30-R33 VanDerWaalsContact O-N 3.13Å; Y31-R33 VanDerWaalsContact C-N 3.29Å; Y31-R33 PolarHBondContact O-N 2.87Å; R33-R37 WeakPolarHBondContact O-CB 3.43Å; R33-R37 VanDerWaalsContact O-CG 3.3Å; R33-R37 WeakPolarHBondContact O-CG 3.46Å; R33-R37 PolarHBondContact O-N 2.92Å
34	Y	41	Very low	46.2	Very low	108 Å²	108	117 Å²	117	42%	0.424	51%	0.512	S	S	.	.	H	α-helix	trans	-69.8	-48.9	177.5	177.6	-102.9	0	0	0	110.7	W30 Y31 A36 R37 L38	W30-Y34 HydrophobicContact CH2-CD1 4.31Å; W30-Y34 HydrophobicContact CH2-CD2 4.21Å; W30-Y34 HydrophobicContact CH2-CG 4.03Å; W30-Y34 HydrophobicContact CZ2-CD2 4.14Å; W30-Y34 HydrophobicContact CZ2-CG 4.28Å; W30-Y34 HydrophobicContact CZ3-CG 4.4Å; W30-Y34 WeakPolarHBondContact O-CB 3.49Å; W30-Y34 PolarHBondContact O-N 2.86Å; Y31-Y34 PolarHBondContact O-N 3.48Å; Y31-Y34 VanDerWaalsContact O-N 3.1Å; Y34-A36 PolarHBondContact O-N 2.94Å; Y34-R37 WeakPolarHBondContact O-CB 3.42Å; Y34-R37 PolarHBondContact O-N 3.32Å; Y34-R37 VanDerWaalsContact O-N 3.08Å; Y34-L38 HydrophobicContact CD1-CD1 4.02Å; Y34-L38 HydrophobicContact CD1-CG 4.45Å; Y34-L38 HydrophobicContact CE1-CD1 3.45Å; Y34-L38 VanDerWaalsContact CE1-CD1 3.45Å; Y34-L38 HydrophobicContact CE1-CG 4.09Å; Y34-L38 PolarHBondContact O-N 2.79Å
35	M	41.5	Very low	46.3	Very low	84 Å²	84	118.2 Å²	118.2	41%	0.414	52%	0.515	S	S	.	.	H	α-helix	trans	-57.9	-44.9	173.1	-67.5	-58.3	-69.6	0	0	111.8	Y31 R37 L38 E39	Y31-M35 HydrophobicContact CD1-CG 4.17Å; Y31-M35 HydrophobicContact CD2-CG 4.18Å; Y31-M35 HydrophobicContact CE1-CG 3.77Å; Y31-M35 HydrophobicContact CE2-CG 3.79Å; Y31-M35 HydrophobicContact CE2-SD 3.89Å; Y31-M35 HydrophobicContact CG-CG 4.36Å; Y31-M35 WeakPolarHBondContact O-CB 3.35Å; Y31-M35 WeakPolarHBondContact O-CG 3.48Å; Y31-M35 PolarHBondContact O-N 3.38Å; M35-R37 VanDerWaalsContact C-N 3.31Å; M35-R37 PolarHBondContact O-N 2.66Å; M35-L38 PolarHBondContact O-N 3.43Å; M35-L38 HydrophobicContact SD-CD1 4.38Å; M35-E39 WeakPolarHBondContact O-CB 3.4Å; M35-E39 PolarHBondContact O-N 2.72Å
36	A	42	Very low	46.2	Very low	48 Å²	48	115.6 Å²	115.6	40%	0.397	50%	0.495	S	S	.	.	H	α-helix	trans	-61	-37.4	174.6	0	0	0	0	0	112.9	R32 Y34 I40	R32-A36 VanDerWaalsContact O-CB 3.3Å; R32-A36 WeakPolarHBondContact O-CB 3.25Å; R32-A36 PolarHBondContact O-N 3.41Å; Y34-A36 PolarHBondContact O-N 2.94Å; A36-I40 WeakPolarHBondContact O-CB 3.39Å; A36-I40 WeakPolarHBondContact O-CD1 3.26Å; A36-I40 WeakPolarHBondContact O-CG1 3.4Å; A36-I40 PolarHBondContact O-N 3.09Å
37	R	44.9	Very low	46.1	Very low	183 Å²	183	114.4 Å²	114.4	69%	0.691	49%	0.489	S	S	*	.	H	α-helix	trans	-69.6	-37.4	174.8	-77.6	171.4	170.6	-171.9	-4.2	112.9	R33 Y34 M35 R41	R33-R37 WeakPolarHBondContact O-CB 3.43Å; R33-R37 VanDerWaalsContact O-CG 3.3Å; R33-R37 WeakPolarHBondContact O-CG 3.46Å; R33-R37 PolarHBondContact O-N 2.92Å; Y34-R37 WeakPolarHBondContact O-CB 3.42Å; Y34-R37 PolarHBondContact O-N 3.32Å; Y34-R37 VanDerWaalsContact O-N 3.08Å; M35-R37 VanDerWaalsContact C-N 3.31Å; M35-R37 PolarHBondContact O-N 2.66Å; R37-R41 WeakPolarHBondContact O-CG 3.49Å; R37-R41 PolarHBondContact O-N 2.79Å; R37-R41 VanDerWaalsContact O-N 3.12Å
38	L	43	Very low	45.9	Very low	71 Å²	71	114 Å²	114	37%	0.372	49%	0.487	S	S	.	.	H	α-helix	trans	-65.2	-46.4	173.4	-71.7	-177.1	0	0	0	110.9	Y34 M35 R41 R42	Y34-L38 HydrophobicContact CD1-CD1 4.02Å; Y34-L38 HydrophobicContact CD1-CG 4.45Å; Y34-L38 HydrophobicContact CE1-CD1 3.45Å; Y34-L38 VanDerWaalsContact CE1-CD1 3.45Å; Y34-L38 HydrophobicContact CE1-CG 4.09Å; Y34-L38 PolarHBondContact O-N 2.79Å; M35-L38 PolarHBondContact O-N 3.43Å; M35-L38 HydrophobicContact SD-CD1 4.38Å; L38-R41 WeakPolarHBondContact O-CB 2.9Å; L38-R41 PolarHBondContact O-N 2.92Å; L38-R42 WeakPolarHBondContact O-CB 3.5Å; L38-R42 PolarHBondContact O-N 3.2Å
39	E	45.7	Very low	46.1	Very low	58 Å²	58	111.8 Å²	111.8	27%	0.271	48%	0.476	S	S	.	.	H	α-helix	trans	-63.2	-42	179	178.7	60.8	-171.4	0	0	112.2	M35 R41 R42 R43	M35-E39 WeakPolarHBondContact O-CB 3.4Å; M35-E39 PolarHBondContact O-N 2.72Å; E39-R41 PolarHBondContact O-N 3.43Å; E39-R42 WeakPolarHBondContact O-CB 3.37Å; E39-R42 PolarHBondContact O-N 3.18Å; E39-R43 WeakPolarHBondContact O-CG 3.21Å; E39-R43 PolarHBondContact O-N 3.31Å; E39-R43 IonicContact OE1-CZ 2.79Å; E39-R43 IonicContact OE1-NE 3.18Å; E39-R43 PolarHBondContact OE1-NE 2.6Å; E39-R43 IonicContact OE1-NH2 3.55Å; E39-R43 PolarHBondContact OE1-NH2 3.27Å
40	I	43.2	Very low	46.4	Very low	92 Å²	92	106.9 Å²	106.9	47%	0.472	46%	0.459	S	S	.	.	H	α-helix	trans	-60.5	-44.6	172.8	-73.5	165.7	0	0	0	111.1	A36 R43 Y44	A36-I40 WeakPolarHBondContact O-CB 3.39Å; A36-I40 WeakPolarHBondContact O-CD1 3.26Å; A36-I40 WeakPolarHBondContact O-CG1 3.4Å; A36-I40 PolarHBondContact O-N 3.09Å; I40-R43 PolarHBondContact O-N 3.08Å; I40-Y44 HydrophobicContact CG2-CD2 3.81Å; I40-Y44 HydrophobicContact CG2-CE2 3.42Å; I40-Y44 VanDerWaalsContact CG2-CE2 3.42Å; I40-Y44 WeakPolarHBondContact O-CD2 3.17Å; I40-Y44 PolarHBondContact O-N 3.15Å; I40-Y44 VanDerWaalsContact O-N 3.1Å
41	R	44.2	Very low	45.8	Very low	182 Å²	182	102 Å²	102	69%	0.687	45%	0.449	S	S	*	.	H	α-helix	trans	-61.9	-44.9	175.4	-76.4	175	171.7	-166.6	-4.6	111.7	R37 L38 E39 R43 Y44 T45	R37-R41 WeakPolarHBondContact O-CG 3.49Å; R37-R41 PolarHBondContact O-N 2.79Å; R37-R41 VanDerWaalsContact O-N 3.12Å; L38-R41 WeakPolarHBondContact O-CB 2.9Å; L38-R41 PolarHBondContact O-N 2.92Å; E39-R41 PolarHBondContact O-N 3.43Å; R41-R43 VanDerWaalsContact C-N 3.33Å; R41-R43 PolarHBondContact O-N 2.88Å; R41-Y44 PolarHBondContact O-N 3.18Å; R41-T45 PolarHBondContact O-N 3.43Å; R41-T45 PolarHBondContact O-OG1 2.82Å
42	R	47.8	Very low	46.3	Very low	96 Å²	96	101.7 Å²	101.7	36%	0.362	46%	0.455	S	S	.	.	H	α-helix	trans	-57	-45	177.8	-169.5	-176.8	-172.8	-156.5	-0.9	111.6	L38 E39 T45 W46 Q479	L38-R42 WeakPolarHBondContact O-CB 3.5Å; L38-R42 PolarHBondContact O-N 3.2Å; E39-R42 WeakPolarHBondContact O-CB 3.37Å; E39-R42 PolarHBondContact O-N 3.18Å; R42-T45 PolarHBondContact O-N 3.2Å; R42-W46 WeakPolarHBondContact O-CB 3.44Å; R42-W46 PolarHBondContact O-N 3.13Å; R42-Q479 VanDerWaalsContact CZ-OE1 3.24Å; R42-Q479 VanDerWaalsContact NH2-CG 3.28Å
43	R	47.3	Very low	46.9	Very low	149 Å²	149	94.1 Å²	94.1	56%	0.562	43%	0.427	S	S	*	.	H	α-helix	trans	-64.8	-40.4	176.1	-69.4	174.7	-169.6	-154.4	-0.5	112.9	E39 I40 R41 W46 N47	E39-R43 WeakPolarHBondContact O-CG 3.21Å; E39-R43 PolarHBondContact O-N 3.31Å; E39-R43 IonicContact OE1-CZ 2.79Å; E39-R43 IonicContact OE1-NE 3.18Å; E39-R43 PolarHBondContact OE1-NE 2.6Å; E39-R43 IonicContact OE1-NH2 3.55Å; E39-R43 PolarHBondContact OE1-NH2 3.27Å; I40-R43 PolarHBondContact O-N 3.08Å; R41-R43 VanDerWaalsContact C-N 3.33Å; R41-R43 PolarHBondContact O-N 2.88Å; R43-W46 PolarHBondContact O-N 2.94Å; R43-N47 WeakPolarHBondContact O-CB 3.47Å; R43-N47 PolarHBondContact O-N 2.97Å; R43-N47 PolarHBondContact O-OD1 3.39Å
44	Y	43.2	Very low	47.7	Very low	160 Å²	160	87.5 Å²	87.5	63%	0.627	40%	0.403	S	S	*	.	H	α-helix	trans	-63.6	-45	173.5	-73.9	-56	0	0	0	112.1	I40 R41 W46 N47 I48	I40-Y44 HydrophobicContact CG2-CD2 3.81Å; I40-Y44 HydrophobicContact CG2-CE2 3.42Å; I40-Y44 VanDerWaalsContact CG2-CE2 3.42Å; I40-Y44 WeakPolarHBondContact O-CD2 3.17Å; I40-Y44 PolarHBondContact O-N 3.15Å; I40-Y44 VanDerWaalsContact O-N 3.1Å; R41-Y44 PolarHBondContact O-N 3.18Å; Y44-W46 VanDerWaalsContact C-N 3.33Å; Y44-W46 PolarHBondContact O-N 3.49Å; Y44-N47 PolarHBondContact O-N 3.37Å; Y44-I48 WeakPolarHBondContact O-CD1 3.48Å; Y44-I48 VanDerWaalsContact O-CG1 3.26Å; Y44-I48 WeakPolarHBondContact O-CG1 3.21Å; Y44-I48 PolarHBondContact O-N 3.06Å
45	T	44.9	Very low	48	Very low	72 Å²	72	84.7 Å²	84.7	44%	0.442	40%	0.401	S	S	.	.	H	α-helix	trans	-59.3	-42.8	174.8	-63.4	0	0	0	0	111.9	R41 R42 I48 F49	R41-T45 PolarHBondContact O-N 3.43Å; R41-T45 PolarHBondContact O-OG1 2.82Å; R42-T45 PolarHBondContact O-N 3.2Å; T45-I48 PolarHBondContact O-N 2.79Å; T45-F49 HydrophobicContact CG2-CD2 3.9Å; T45-F49 HydrophobicContact CG2-CE2 3.55Å; T45-F49 VanDerWaalsContact O-CD2 3.27Å; T45-F49 WeakPolarHBondContact O-CD2 3.44Å; T45-F49 PolarHBondContact O-N 3.23Å
46	W	53.9	Low	48.3	Very low	36 Å²	36	81.1 Å²	81.1	14%	0.136	39%	0.386	C	S	.	.	H	α-helix	trans	-58.8	-53.1	175.6	-173.6	-85.8	0	0	0	112.3	R42 R43 Y44 I48 F49 Q50 C477 Q479 Y500 N505	R42-W46 WeakPolarHBondContact O-CB 3.44Å; R42-W46 PolarHBondContact O-N 3.13Å; R43-W46 PolarHBondContact O-N 2.94Å; Y44-W46 VanDerWaalsContact C-N 3.33Å; Y44-W46 PolarHBondContact O-N 3.49Å; W46-I48 PolarHBondContact O-N 3.42Å; W46-F49 PolarHBondContact O-N 2.65Å; W46-Q50 PolarHBondContact O-N 2.83Å; W46-C477 HydrophobicContact CH2-CB 4.46Å; W46-C477 VanDerWaalsContact CH2-SG 3.52Å; W46-C477 HydrophobicContact CZ2-CB 4.48Å; W46-C477 WeakPolarHBondContact CZ2-O 3.47Å; W46-Q479 HydrophobicContact CH2-CB 4.14Å; W46-Q479 HydrophobicContact CZ3-CB 4.1Å; W46-Q479 HydrophobicContact CZ3-CG 4.41Å; W46-Y500 HydrophobicContact CH2-CE2 4.24Å; W46-Y500 HydrophobicContact CZ2-CE2 4.41Å; W46-Y500 HydrophobicContact CZ3-CE2 4.32Å; W46-N505 HydrophobicContact CH2-CB 3.99Å; W46-N505 HydrophobicContact CZ3-CB 3.96Å
47	N	49.5	Very low	49.2	Very low	87 Å²	87	79 Å²	79	47%	0.465	37%	0.368	S	S	.	.	H	α-helix	trans	-60.4	-33.9	-179.5	-68.4	7.5	0	0	0	112.1	R43 Y44 S51	R43-N47 WeakPolarHBondContact O-CB 3.47Å; R43-N47 PolarHBondContact O-N 2.97Å; R43-N47 PolarHBondContact O-OD1 3.39Å; Y44-N47 PolarHBondContact O-N 3.37Å; N47-S51 VanDerWaalsContact O-CB 3.27Å; N47-S51 WeakPolarHBondContact O-CB 3.46Å; N47-S51 PolarHBondContact O-N 2.54Å; N47-S51 PolarHBondContact O-OG 3.28Å
48	I	44.5	Very low	49.7	Very low	102 Å²	102	72.1 Å²	72.1	52%	0.523	34%	0.344	S	S	.	.	H	α-helix	trans	-64.7	-49.9	176	-71.5	162.9	0	0	0	110.6	Y44 T45 W46 S51 I52	Y44-I48 WeakPolarHBondContact O-CD1 3.48Å; Y44-I48 VanDerWaalsContact O-CG1 3.26Å; Y44-I48 WeakPolarHBondContact O-CG1 3.21Å; Y44-I48 PolarHBondContact O-N 3.06Å; T45-I48 PolarHBondContact O-N 2.79Å; W46-I48 PolarHBondContact O-N 3.42Å; I48-S51 PolarHBondContact O-N 2.67Å; I48-I52 HydrophobicContact CG2-CD1 3.77Å; I48-I52 WeakPolarHBondContact O-CD1 3.24Å; I48-I52 VanDerWaalsContact O-CG1 3.29Å; I48-I52 WeakPolarHBondContact O-CG1 3.43Å; I48-I52 PolarHBondContact O-N 2.89Å; I48-I52 VanDerWaalsContact O-N 3.08Å
49	F	48.7	Very low	50.1	Low	60 Å²	60	72.5 Å²	72.5	26%	0.263	35%	0.346	S	S	.	.	H	α-helix	trans	-60	-49.6	178.7	-77.4	-58.3	0	0	0	111.9	T45 W46 S51 I52 E53 Y500	T45-F49 HydrophobicContact CG2-CD2 3.9Å; T45-F49 HydrophobicContact CG2-CE2 3.55Å; T45-F49 VanDerWaalsContact O-CD2 3.27Å; T45-F49 WeakPolarHBondContact O-CD2 3.44Å; T45-F49 PolarHBondContact O-N 3.23Å; W46-F49 PolarHBondContact O-N 2.65Å; F49-S51 VanDerWaalsContact C-N 3.34Å; F49-S51 PolarHBondContact O-N 3.28Å; F49-I52 PolarHBondContact O-N 3.44Å; F49-E53 WeakPolarHBondContact O-CB 3.46Å; F49-E53 PolarHBondContact O-N 2.95Å; F49-Y500 HydrophobicContact CB-CD1 3.72Å; F49-Y500 HydrophobicContact CB-CD2 3.87Å; F49-Y500 HydrophobicContact CB-CE1 3.79Å; F49-Y500 HydrophobicContact CB-CE2 3.94Å; F49-Y500 HydrophobicContact CB-CG 3.74Å; F49-Y500 HydrophobicContact CD1-CD1 4.16Å; F49-Y500 HydrophobicContact CD1-CG 4.1Å; F49-Y500 HydrophobicContact CD2-CD2 4.19Å; F49-Y500 HydrophobicContact CD2-CG 4.09Å; F49-Y500 HydrophobicContact CG-CD1 4.04Å; F49-Y500 HydrophobicContact CG-CD2 4.12Å; F49-Y500 AromaticContact CG-CG 3.75Å; F49-Y500 HydrophobicContact CG-CG 3.75Å
50	Q	54.6	Low	50.7	Low	42 Å²	42	71.8 Å²	71.8	20%	0.196	34%	0.343	C	S	.	.	H	α-helix	trans	-62.3	-37.9	-179.9	-169.4	173.9	11.8	0	0	112.6	W46 E53 Y54	W46-Q50 PolarHBondContact O-N 2.83Å; Q50-E53 PolarHBondContact O-N 2.87Å; Q50-Y54 HydrophobicContact CG-CD2 3.97Å; Q50-Y54 HydrophobicContact CG-CE1 4.21Å; Q50-Y54 HydrophobicContact CG-CE2 3.51Å; Q50-Y54 PolarHBondContact NE2-OH 3Å; Q50-Y54 PolarHBondContact O-N 3.11Å; Q50-Y54 VanDerWaalsContact O-N 3.09Å
51	S	49	Very low	51.4	Low	57 Å²	57	68.8 Å²	68.8	40%	0.399	33%	0.329	S	S	.	.	H	α-helix	trans	-68.6	-37.5	176.6	-57.4	0	0	0	0	112.9	N47 I48 F49 A55	N47-S51 VanDerWaalsContact O-CB 3.27Å; N47-S51 WeakPolarHBondContact O-CB 3.46Å; N47-S51 PolarHBondContact O-N 2.54Å; N47-S51 PolarHBondContact O-OG 3.28Å; I48-S51 PolarHBondContact O-N 2.67Å; F49-S51 VanDerWaalsContact C-N 3.34Å; F49-S51 PolarHBondContact O-N 3.28Å; S51-A55 WeakPolarHBondContact O-CB 3.41Å; S51-A55 PolarHBondContact O-N 3.14Å; S51-A55 VanDerWaalsContact O-N 3.15Å
52	I	51.1	Low	51.9	Low	119 Å²	119	64.7 Å²	64.7	61%	0.61	32%	0.319	S	S	*	.	H	α-helix	trans	-68.1	-39.5	177.1	-69.2	165.7	0	0	0	110.6	I48 F49 G56	I48-I52 HydrophobicContact CG2-CD1 3.77Å; I48-I52 WeakPolarHBondContact O-CD1 3.24Å; I48-I52 VanDerWaalsContact O-CG1 3.29Å; I48-I52 WeakPolarHBondContact O-CG1 3.43Å; I48-I52 PolarHBondContact O-N 2.89Å; I48-I52 VanDerWaalsContact O-N 3.08Å; F49-I52 PolarHBondContact O-N 3.44Å; I52-G56 PolarHBondContact O-N 3.35Å
53	E	59.5	Low	51.9	Low	20 Å²	20	64.2 Å²	64.2	9%	0.093	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-59.2	177.9	172.6	150.7	-97.6	0	0	112.2	F49 Q50 A55 G56 E57 R208 Y499 Y500	F49-E53 WeakPolarHBondContact O-CB 3.46Å; F49-E53 PolarHBondContact O-N 2.95Å; Q50-E53 PolarHBondContact O-N 2.87Å; E53-A55 VanDerWaalsContact C-N 3.34Å; E53-A55 PolarHBondContact O-N 3.47Å; E53-G56 WeakPolarHBondContact O-CA 3.43Å; E53-G56 PolarHBondContact O-N 2.64Å; E53-E57 WeakPolarHBondContact CG-OE1 3.47Å; E53-E57 PolarHBondContact O-N 3.28Å; E53-R208 IonicContact OE1-CZ 3.89Å; E53-R208 IonicContact OE1-NH1 3.57Å; E53-R208 PolarHBondContact OE1-NH1 3.42Å; E53-R208 IonicContact OE1-NH2 3.06Å; E53-Y499 VanDerWaalsContact OE1-CE1 3.22Å; E53-Y499 WeakPolarHBondContact OE1-CE1 3.21Å; E53-Y499 VanDerWaalsContact OE1-CZ 3.3Å; E53-Y499 PolarHBondContact OE1-OH 2.88Å; E53-Y500 WeakPolarHBondContact OE2-CE1 3.39Å; E53-Y500 PolarHBondContact OE2-OH 3.08Å; E53-Y500 VanDerWaalsContact OE2-OH 3.13Å
54	Y	61.9	Low	52.2	Low	12 Å²	12	58.3 Å²	58.3	5%	0.047	31%	0.306	C	S	.	.	H	α-helix	trans	-65.9	-34.5	-176.5	-61.3	-14.7	0	0	0	112.4	Q50 G56 E57 Q58 F447 R448	Q50-Y54 HydrophobicContact CG-CD2 3.97Å; Q50-Y54 HydrophobicContact CG-CE1 4.21Å; Q50-Y54 HydrophobicContact CG-CE2 3.51Å; Q50-Y54 PolarHBondContact NE2-OH 3Å; Q50-Y54 PolarHBondContact O-N 3.11Å; Q50-Y54 VanDerWaalsContact O-N 3.09Å; Y54-G56 PolarHBondContact O-N 3.47Å; Y54-E57 WeakPolarHBondContact O-CB 3.04Å; Y54-E57 PolarHBondContact O-N 3.36Å; Y54-Q58 WeakPolarHBondContact O-CB 3.41Å; Y54-Q58 PolarHBondContact O-N 3.43Å; Y54-F447 CarbonylContact C-O 3.59Å; Y54-F447 VanDerWaalsContact CB-CD1 3.5Å; Y54-F447 AromaticContact CD2-CD1 3.6Å; Y54-F447 HydrophobicContact CD2-CD1 3.6Å; Y54-F447 AromaticContact CD2-CE1 3.8Å; Y54-F447 HydrophobicContact CD2-CE1 3.8Å; Y54-F447 HydrophobicContact CG-CD1 4.05Å; Y54-F447 HydrophobicContact CG-CE1 4.25Å; Y54-R448 HydrophobicContact CD1-CG 4.36Å; Y54-R448 VanDerWaalsContact CE1-NH1 3.26Å; Y54-R448 HydrophobicContact CG-CG 4.32Å; Y54-R448 PolarHBondContact OH-NH2 2.94Å
55	A	46.8	Very low	52.6	Low	48 Å²	48	54 Å²	54	40%	0.397	30%	0.3	S	S	.	.	H	α-helix	trans	-59.2	-36.7	171.9	0	0	0	0	0	112.3	S51 E53 E57 D59	S51-A55 WeakPolarHBondContact O-CB 3.41Å; S51-A55 PolarHBondContact O-N 3.14Å; S51-A55 VanDerWaalsContact O-N 3.15Å; E53-A55 VanDerWaalsContact C-N 3.34Å; E53-A55 PolarHBondContact O-N 3.47Å; A55-E57 VanDerWaalsContact C-N 3.31Å; A55-E57 PolarHBondContact O-N 2.98Å; A55-D59 WeakPolarHBondContact O-CB 3.44Å; A55-D59 VanDerWaalsContact O-CG 3.29Å; A55-D59 PolarHBondContact O-N 3.28Å
56	G	49.5	Very low	52.6	Low	9 Å²	9	53.8 Å²	53.8	9%	0.093	30%	0.301	C	S	.	.	H	α-helix	trans	-66.8	-30	173.4	0	0	0	0	0	113.8	I52 E53 Y54 R245 Y246	I52-G56 PolarHBondContact O-N 3.35Å; E53-G56 WeakPolarHBondContact O-CA 3.43Å; E53-G56 PolarHBondContact O-N 2.64Å; Y54-G56 PolarHBondContact O-N 3.47Å; G56-R245 PolarHBondContact O-NH1 3.43Å; G56-Y246 PolarHBondContact O-OH 2.82Å
57	E	59.5	Low	52.3	Low	3 Å²	3	55.9 Å²	55.9	1%	0.014	31%	0.311	C	S	.	.	H	α-helix	trans	-73.7	-51.3	175.2	-72.4	156.3	-149.5	0	0	109.7	E53 Y54 A55 D59 Q60 V61 R208 Y246 W433 R448	E53-E57 WeakPolarHBondContact CG-OE1 3.47Å; E53-E57 PolarHBondContact O-N 3.28Å; Y54-E57 WeakPolarHBondContact O-CB 3.04Å; Y54-E57 PolarHBondContact O-N 3.36Å; A55-E57 VanDerWaalsContact C-N 3.31Å; A55-E57 PolarHBondContact O-N 2.98Å; E57-D59 VanDerWaalsContact C-N 3.35Å; E57-D59 PolarHBondContact O-N 3.26Å; E57-Q60 PolarHBondContact O-N 3.48Å; E57-V61 PolarHBondContact O-N 2.84Å; E57-R208 IonicContact OE1-CZ 2.75Å; E57-R208 IonicContact OE1-NH1 3.74Å; E57-R208 IonicContact OE1-NH2 3.37Å; E57-R208 PolarHBondContact OE1-NH2 2.85Å; E57-Y246 PolarHBondContact N-OH 3.15Å; E57-Y246 VanDerWaalsContact N-OH 3.16Å; E57-W433 HydrophobicContact CB-CH2 4.47Å; E57-W433 HydrophobicContact CB-CZ3 4.06Å; E57-W433 HydrophobicContact CG-CH2 4.33Å; E57-W433 HydrophobicContact CG-CZ3 4.08Å; E57-R448 CarbonylContact C-O 3.53Å; E57-R448 HydrophobicContact CB-CB 4.46Å; E57-R448 IonicContact OE1-NH1 3.94Å; E57-R448 IonicContact OE2-CZ 2.98Å; E57-R448 IonicContact OE2-NE 2.63Å; E57-R448 IonicContact OE2-NH1 3.76Å; E57-R448 PolarHBondContact OE2-NH1 3.08Å
58	Q	55.7	Low	52.3	Low	39 Å²	39	54.7 Å²	54.7	18%	0.182	31%	0.308	C	S	.	.	H	α-helix	trans	-54.7	-44.7	177.2	-175.7	63.1	65.3	0	0	113.2	Y54 Q60 V61 I62 S446 F447 R448 G449	Y54-Q58 WeakPolarHBondContact O-CB 3.41Å; Y54-Q58 PolarHBondContact O-N 3.43Å; Q58-Q60 VanDerWaalsContact C-N 3.27Å; Q58-Q60 PolarHBondContact O-N 3.47Å; Q58-V61 PolarHBondContact O-N 3.45Å; Q58-I62 HydrophobicContact CG-CD1 3.88Å; Q58-I62 WeakPolarHBondContact O-CG1 3.04Å; Q58-I62 PolarHBondContact O-N 3.02Å; Q58-S446 PolarHBondContact OE1-O 3.2Å; Q58-S446 VanDerWaalsContact OE1-O 3.13Å; Q58-F447 VanDerWaalsContact OE1-N 3.17Å; Q58-R448 WeakPolarHBondContact CA-O 3.33Å; Q58-R448 PolarHBondContact N-O 2.92Å; Q58-G449 VanDerWaalsContact OE1-CA 3.27Å
59	D	51.6	Low	52.3	Low	79 Å²	79	55 Å²	55	42%	0.422	31%	0.307	S	S	.	.	H	α-helix	trans	-47.9	-47.1	171.9	-90.8	-10.3	0	0	0	112.1	A55 E57 V63 R245	A55-D59 WeakPolarHBondContact O-CB 3.44Å; A55-D59 VanDerWaalsContact O-CG 3.29Å; A55-D59 PolarHBondContact O-N 3.28Å; E57-D59 VanDerWaalsContact C-N 3.35Å; E57-D59 PolarHBondContact O-N 3.26Å; D59-V63 WeakPolarHBondContact O-CB 3.44Å; D59-V63 VanDerWaalsContact O-CG2 3.25Å; D59-V63 WeakPolarHBondContact O-CG2 3.27Å; D59-V63 PolarHBondContact O-N 3.36Å; D59-R245 IonicContact OD2-CZ 3.15Å; D59-R245 IonicContact OD2-NH1 3.75Å; D59-R245 PolarHBondContact OD2-NH1 3.34Å; D59-R245 IonicContact OD2-NH2 2.72Å; D59-R245 PolarHBondContact OD2-NH2 3.09Å
60	Q	58.4	Low	51.9	Low	43 Å²	43	56.7 Å²	56.7	20%	0.201	32%	0.318	C	S	.	.	H	α-helix	trans	-68.2	-43.8	-175.5	-73.4	-55.2	-77.7	0	0	111.1	E57 Q58 I62 V63 L64 M242	E57-Q60 PolarHBondContact O-N 3.48Å; Q58-Q60 VanDerWaalsContact C-N 3.27Å; Q58-Q60 PolarHBondContact O-N 3.47Å; Q60-I62 VanDerWaalsContact C-N 3.32Å; Q60-I62 PolarHBondContact O-N 2.9Å; Q60-V63 PolarHBondContact O-N 3.43Å; Q60-L64 WeakPolarHBondContact O-CB 3.47Å; Q60-L64 WeakPolarHBondContact O-CD1 3.24Å; Q60-L64 WeakPolarHBondContact O-CG 3.45Å; Q60-L64 PolarHBondContact O-N 3.47Å; Q60-M242 HydrophobicContact CB-CE 4.03Å; Q60-M242 HydrophobicContact CG-CE 4.11Å
61	V	58.4	Low	51.1	Low	29 Å²	29	58.7 Å²	58.7	18%	0.176	33%	0.326	C	S	.	.	H	α-helix	trans	-65.7	-38.9	-180	-159.9	0	0	0	0	110.8	E57 Q58 L64 S65 L312 R448	E57-V61 PolarHBondContact O-N 2.84Å; Q58-V61 PolarHBondContact O-N 3.45Å; V61-L64 PolarHBondContact O-N 2.96Å; V61-S65 VanDerWaalsContact O-CB 3.29Å; V61-S65 WeakPolarHBondContact O-CB 3.43Å; V61-S65 PolarHBondContact O-N 3.19Å; V61-L312 HydrophobicContact CG2-CD2 4.02Å; V61-R448 WeakPolarHBondContact CG2-O 3.35Å
62	I	54	Low	50.8	Low	96 Å²	96	61.7 Å²	61.7	49%	0.492	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-48.6	173.7	-68.3	171	0	0	0	111.1	Q58 Q60 L64 S65 C66	Q58-I62 HydrophobicContact CG-CD1 3.88Å; Q58-I62 WeakPolarHBondContact O-CG1 3.04Å; Q58-I62 PolarHBondContact O-N 3.02Å; Q60-I62 VanDerWaalsContact C-N 3.32Å; Q60-I62 PolarHBondContact O-N 2.9Å; I62-L64 VanDerWaalsContact C-N 3.33Å; I62-L64 PolarHBondContact O-N 3.25Å; I62-S65 PolarHBondContact O-N 3.38Å; I62-C66 VanDerWaalsContact O-CB 3.26Å; I62-C66 WeakPolarHBondContact O-CB 3.22Å; I62-C66 PolarHBondContact O-N 2.89Å
63	V	47.9	Very low	50.3	Low	86 Å²	86	61.7 Å²	61.7	52%	0.521	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-40	179.8	167.2	0	0	0	0	111.4	D59 Q60 H67	D59-V63 WeakPolarHBondContact O-CB 3.44Å; D59-V63 VanDerWaalsContact O-CG2 3.25Å; D59-V63 WeakPolarHBondContact O-CG2 3.27Å; D59-V63 PolarHBondContact O-N 3.36Å; Q60-V63 PolarHBondContact O-N 3.43Å; V63-H67 VanDerWaalsContact O-CB 3.26Å; V63-H67 WeakPolarHBondContact O-CB 3.39Å; V63-H67 PolarHBondContact O-N 2.89Å
64	L	52.8	Low	49	Very low	25 Å²	25	64.5 Å²	64.5	13%	0.131	36%	0.358	C	S	.	.	H	α-helix	trans	-71.7	-40.1	177.9	-79	156.2	0	0	0	113	Q60 V61 I62 H67 T68 I241 L312	Q60-L64 WeakPolarHBondContact O-CB 3.47Å; Q60-L64 WeakPolarHBondContact O-CD1 3.24Å; Q60-L64 WeakPolarHBondContact O-CG 3.45Å; Q60-L64 PolarHBondContact O-N 3.47Å; V61-L64 PolarHBondContact O-N 2.96Å; I62-L64 VanDerWaalsContact C-N 3.33Å; I62-L64 PolarHBondContact O-N 3.25Å; L64-H67 PolarHBondContact O-N 2.98Å; L64-T68 WeakPolarHBondContact O-CB 3.32Å; L64-T68 PolarHBondContact O-N 3.31Å; L64-T68 PolarHBondContact O-OG1 3.28Å; L64-I241 HydrophobicContact CD1-CD1 3.87Å; L64-I241 HydrophobicContact CD1-CG2 3.65Å; L64-I241 HydrophobicContact CD2-CD1 4.01Å; L64-L312 HydrophobicContact CD1-CB 4.08Å
65	S	51.7	Low	47.9	Very low	70 Å²	70	71.6 Å²	71.6	49%	0.49	40%	0.395	S	S	.	.	H	α-helix	trans	-60.1	-49.7	172.2	-167.3	0	0	0	0	110.1	V61 I62 H67 T68 E69	V61-S65 VanDerWaalsContact O-CB 3.29Å; V61-S65 WeakPolarHBondContact O-CB 3.43Å; V61-S65 PolarHBondContact O-N 3.19Å; I62-S65 PolarHBondContact O-N 3.38Å; S65-H67 PolarHBondContact O-N 3.15Å; S65-T68 PolarHBondContact O-N 2.77Å; S65-T68 VanDerWaalsContact O-N 3.14Å; S65-E69 WeakPolarHBondContact O-CG 3.47Å; S65-E69 PolarHBondContact O-N 3.15Å
66	C	44.8	Very low	47.4	Very low	68 Å²	68	74.7 Å²	74.7	46%	0.459	41%	0.414	S	S	.	.	H	α-helix	trans	-60.7	-42.8	177.7	-173.7	0	0	0	0	112.3	I62 T68 E69 L70	I62-C66 VanDerWaalsContact O-CB 3.26Å; I62-C66 WeakPolarHBondContact O-CB 3.22Å; I62-C66 PolarHBondContact O-N 2.89Å; C66-T68 VanDerWaalsContact C-N 3.29Å; C66-T68 PolarHBondContact O-N 3.21Å; C66-E69 PolarHBondContact O-N 3.3Å; C66-L70 VanDerWaalsContact O-CB 3.31Å; C66-L70 WeakPolarHBondContact O-CB 3.38Å; C66-L70 VanDerWaalsContact O-CG 3.24Å; C66-L70 WeakPolarHBondContact O-CG 3.41Å; C66-L70 PolarHBondContact O-N 3.03Å
67	H	48	Very low	46.6	Very low	79 Å²	79	77.8 Å²	77.8	37%	0.366	43%	0.434	S	S	.	.	H	α-helix	trans	-67	-29.3	176.7	-169.4	68.6	0	0	0	113	V63 L64 S65 K71	V63-H67 VanDerWaalsContact O-CB 3.26Å; V63-H67 WeakPolarHBondContact O-CB 3.39Å; V63-H67 PolarHBondContact O-N 2.89Å; L64-H67 PolarHBondContact O-N 2.98Å; S65-H67 PolarHBondContact O-N 3.15Å; H67-K71 WeakPolarHBondContact O-CB 3.2Å; H67-K71 WeakPolarHBondContact O-CG 3.44Å; H67-K71 PolarHBondContact O-N 3.28Å; H67-K71 VanDerWaalsContact O-N 3.12Å
68	T	49.1	Very low	45.6	Very low	63 Å²	63	83 Å²	83	39%	0.387	47%	0.468	S	S	.	.	H	α-helix	trans	-74.2	-47	176.3	-56.7	0	0	0	0	110.9	L64 S65 C66 K71 L72	L64-T68 WeakPolarHBondContact O-CB 3.32Å; L64-T68 PolarHBondContact O-N 3.31Å; L64-T68 PolarHBondContact O-OG1 3.28Å; S65-T68 PolarHBondContact O-N 2.77Å; S65-T68 VanDerWaalsContact O-N 3.14Å; C66-T68 VanDerWaalsContact C-N 3.29Å; C66-T68 PolarHBondContact O-N 3.21Å; T68-K71 PolarHBondContact O-N 3.09Å; T68-L72 PolarHBondContact O-N 2.97Å
69	E	44.6	Very low	44.7	Very low	109 Å²	109	85.3 Å²	85.3	51%	0.509	49%	0.486	S	S	.	.	H	α-helix	trans	-59.2	-46.8	172.6	-69.3	-57.9	140.4	0	0	111.8	S65 C66 K71 L72 V73	S65-E69 WeakPolarHBondContact O-CG 3.47Å; S65-E69 PolarHBondContact O-N 3.15Å; C66-E69 PolarHBondContact O-N 3.3Å; E69-K71 VanDerWaalsContact C-N 3.27Å; E69-K71 PolarHBondContact O-N 2.78Å; E69-L72 WeakPolarHBondContact O-CB 3.02Å; E69-L72 PolarHBondContact O-N 3.22Å; E69-V73 WeakPolarHBondContact O-CG2 3.47Å; E69-V73 PolarHBondContact O-N 2.71Å
70	L	40.7	Very low	44.1	Very low	95 Å²	95	87 Å²	87	50%	0.497	50%	0.495	S	S	.	.	H	α-helix	trans	-62.3	-32.8	177.3	-73.9	168.9	0	0	0	112.7	C66 V73 N74	C66-L70 VanDerWaalsContact O-CB 3.31Å; C66-L70 WeakPolarHBondContact O-CB 3.38Å; C66-L70 VanDerWaalsContact O-CG 3.24Å; C66-L70 WeakPolarHBondContact O-CG 3.41Å; C66-L70 PolarHBondContact O-N 3.03Å; L70-V73 PolarHBondContact O-N 3.18Å; L70-N74 VanDerWaalsContact O-CB 3.28Å; L70-N74 WeakPolarHBondContact O-CB 3.45Å; L70-N74 PolarHBondContact O-N 3.01Å
71	K	38.1	Very low	43.1	Very low	84 Å²	84	91.2 Å²	91.2	37%	0.365	52%	0.519	S	S	.	.	H	α-helix	trans	-78.4	-17.5	173.7	-81.8	-178.7	166.4	169.6	0	113.9	H67 T68 E69 S83 D87	H67-K71 WeakPolarHBondContact O-CB 3.2Å; H67-K71 WeakPolarHBondContact O-CG 3.44Å; H67-K71 PolarHBondContact O-N 3.28Å; H67-K71 VanDerWaalsContact O-N 3.12Å; T68-K71 PolarHBondContact O-N 3.09Å; E69-K71 VanDerWaalsContact C-N 3.27Å; E69-K71 PolarHBondContact O-N 2.78Å; K71-S83 PolarHBondContact NZ-OG 3.44Å; K71-D87 IonicContact NZ-OD2 2.64Å
72	L	42.3	Very low	42.2	Very low	120 Å²	120	95.3 Å²	95.3	63%	0.628	54%	0.539	S	S	*	.	H	α-helix	trans	-78.5	-34.6	166.9	-84.6	157.8	0	0	0	112	T68 E69	T68-L72 PolarHBondContact O-N 2.97Å; E69-L72 WeakPolarHBondContact O-CB 3.02Å; E69-L72 PolarHBondContact O-N 3.22Å
73	V	40.7	Very low	41.3	Very low	118 Å²	118	91 Å²	91	72%	0.715	52%	0.517	S	S	*	.	H	α-helix	trans	-83.8	-34.2	-178.5	174.9	0	0	0	0	113.2	E69 L70	E69-V73 WeakPolarHBondContact O-CG2 3.47Å; E69-V73 PolarHBondContact O-N 2.71Å; L70-V73 PolarHBondContact O-N 3.18Å
74	N	32.8	Very low	40.9	Very low	79 Å²	79	93.6 Å²	93.6	42%	0.422	52%	0.523	S	S	.	.			trans	-114.5	95.3	-169.8	-174.9	12.9	0	0	0	113.4	L70 S76 S77	L70-N74 VanDerWaalsContact O-CB 3.28Å; L70-N74 WeakPolarHBondContact O-CB 3.45Å; L70-N74 PolarHBondContact O-N 3.01Å; N74-S76 PolarHBondContact OD1-N 3.34Å; N74-S77 PolarHBondContact ND2-OG 2.86Å
75	I	39.5	Very low	40.4	Very low	162 Å²	162	98.6 Å²	98.6	83%	0.831	55%	0.55	S	S	*	.			trans	-86.6	-1.9	-177.3	-65.9	174.9	0	0	0	112.7
76	S	34.8	Very low	39.7	Very low	113 Å²	113	97.4 Å²	97.4	79%	0.79	54%	0.537	S	S	*	.	S	Bend	trans	-132.1	26.2	-161.8	55.9	0	0	0	0	117.4	N74	N74-S76 PolarHBondContact OD1-N 3.34Å
77	S	33.1	Very low	39.3	Very low	73 Å²	73	96.6 Å²	96.6	51%	0.51	53%	0.529	S	S	.	.	S	Bend	trans	-120.8	141.3	171.7	57.8	0	0	0	0	113.6	N74	N74-S77 PolarHBondContact ND2-OG 2.86Å
78	P	37.8	Very low	38.7	Very low	114 Å²	114	96.4 Å²	96.4	74%	0.74	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-69.1	152.7	-178.7	30	-35.9	0	0	0	112.6	D80	P78-D80 PolarHBondContact O-N 2.89Å
79	P	37.9	Very low	38	Very low	86 Å²	86	99.2 Å²	99.2	56%	0.558	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-75.2	125.1	-172.9	28.5	-34.5	0	0	0	113.4
80	D	38.3	Very low	37.9	Very low	115 Å²	115	101.6 Å²	101.6	62%	0.615	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-57.4	161	170.4	-79.7	-54.2	0	0	0	113.6	P78 I82 S83 Q84	P78-D80 PolarHBondContact O-N 2.89Å; D80-I82 PolarHBondContact O-N 3.4Å; D80-S83 WeakPolarHBondContact O-CA 3.38Å; D80-S83 WeakPolarHBondContact O-CB 3.28Å; D80-S83 PolarHBondContact O-N 3.33Å; D80-Q84 PolarHBondContact O-N 3.08Å; D80-Q84 VanDerWaalsContact O-N 3.11Å
81	L	38	Very low	37.6	Very low	132 Å²	132	102 Å²	102	69%	0.691	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.8	-29.6	172.7	-170	68.6	0	0	0	113.2
82	I	38.6	Very low	37.7	Very low	115 Å²	115	103.7 Å²	103.7	59%	0.59	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-37.1	174.8	-65	174.1	0	0	0	111.4	D80 Q84 L85 L86	D80-I82 PolarHBondContact O-N 3.4Å; I82-Q84 VanDerWaalsContact C-N 3.31Å; I82-Q84 PolarHBondContact O-N 3.46Å; I82-L85 PolarHBondContact O-N 3.48Å; I82-L85 VanDerWaalsContact O-N 3.08Å; I82-L86 HydrophobicContact CG2-CD1 3.63Å; I82-L86 HydrophobicContact CG2-CG 4.25Å; I82-L86 WeakPolarHBondContact O-CB 3.3Å; I82-L86 WeakPolarHBondContact O-CG 3.38Å; I82-L86 PolarHBondContact O-N 2.89Å; I82-L86 VanDerWaalsContact O-N 3.13Å
83	S	36.7	Very low	37.4	Very low	5 Å²	5	106.1 Å²	106.1	4%	0.035	59%	0.589	C	S	.	*	H	α-helix	trans	-67.7	-32.3	173.2	-68.4	0	0	0	0	111.6	K71 D80 L85 L86 D87	K71-S83 PolarHBondContact NZ-OG 3.44Å; D80-S83 WeakPolarHBondContact O-CA 3.38Å; D80-S83 WeakPolarHBondContact O-CB 3.28Å; D80-S83 PolarHBondContact O-N 3.33Å; S83-L85 PolarHBondContact O-N 3.04Å; S83-L85 VanDerWaalsContact O-N 3.16Å; S83-L86 PolarHBondContact O-N 2.81Å; S83-L86 VanDerWaalsContact O-N 3.09Å; S83-D87 PolarHBondContact O-N 2.93Å
84	Q	39.4	Very low	37.3	Very low	141 Å²	141	107.4 Å²	107.4	66%	0.659	59%	0.591	S	S	*	*	H	α-helix	trans	-65.6	-11.4	171	-62.7	-174.8	-0.7	0	0	114.3	D80 I82	D80-Q84 PolarHBondContact O-N 3.08Å; D80-Q84 VanDerWaalsContact O-N 3.11Å; I82-Q84 VanDerWaalsContact C-N 3.31Å; I82-Q84 PolarHBondContact O-N 3.46Å
85	L	41.2	Very low	37.7	Very low	130 Å²	130	110 Å²	110	68%	0.681	61%	0.605	S	S	*	*	H	α-helix	trans	-105.2	-10.6	172.6	-80.8	161.4	0	0	0	113.4	I82 S83	I82-L85 PolarHBondContact O-N 3.48Å; I82-L85 VanDerWaalsContact O-N 3.08Å; S83-L85 PolarHBondContact O-N 3.04Å; S83-L85 VanDerWaalsContact O-N 3.16Å
86	L	38.1	Very low	38.3	Very low	44 Å²	44	108.5 Å²	108.5	23%	0.23	59%	0.589	C	S	.	*	H	α-helix	trans	-121.8	-16.6	-172.1	-68.3	-178.5	0	0	0	114.7	I82 S83 L244 R313	I82-L86 HydrophobicContact CG2-CD1 3.63Å; I82-L86 HydrophobicContact CG2-CG 4.25Å; I82-L86 WeakPolarHBondContact O-CB 3.3Å; I82-L86 WeakPolarHBondContact O-CG 3.38Å; I82-L86 PolarHBondContact O-N 2.89Å; I82-L86 VanDerWaalsContact O-N 3.13Å; S83-L86 PolarHBondContact O-N 2.81Å; S83-L86 VanDerWaalsContact O-N 3.09Å; L86-L244 HydrophobicContact CD2-CD2 4.22Å; L86-R313 PolarHBondContact O-NH1 3.49Å
87	D	34.8	Very low	39.2	Very low	52 Å²	52	108.1 Å²	108.1	28%	0.278	57%	0.574	S	S	.	*	S	Bend	trans	-86.4	120.8	164.3	-82.8	-56.2	0	0	0	108.9	K71 S83 V89 R313 R316	K71-D87 IonicContact NZ-OD2 2.64Å; S83-D87 PolarHBondContact O-N 2.93Å; D87-V89 PolarHBondContact O-N 3.09Å; D87-R313 IonicContact OD1-NH2 3Å; D87-R313 PolarHBondContact OD1-NH2 2.84Å; D87-R316 IonicContact OD1-CZ 2.63Å; D87-R316 IonicContact OD1-NH1 2.76Å; D87-R316 PolarHBondContact OD1-NH1 3.5Å; D87-R316 IonicContact OD1-NH2 3.58Å; D87-R316 PolarHBondContact OD1-NH2 3.06Å; D87-R316 IonicContact OD2-NH2 2.63Å
88	P	35.5	Very low	40.3	Very low	75 Å²	75	108.5 Å²	108.5	49%	0.487	57%	0.574	S	S	.	*			trans	-62.7	133.8	171.8	28.3	-33.2	0	0	0	108	I90	P88-I90 PolarHBondContact O-N 3.44Å
89	V	34.7	Very low	41.5	Very low	122 Å²	122	105.1 Å²	105.1	74%	0.739	55%	0.552	S	S	*	*			trans	-63.5	109.3	172.2	-179.4	0	0	0	0	107.4	D87 D91	D87-V89 PolarHBondContact O-N 3.09Å; V89-D91 HydrophobicContact CG1-CB 4.23Å; V89-D91 PolarHBondContact O-N 2.85Å
90	I	42.3	Very low	43.5	Very low	158 Å²	158	102 Å²	102	81%	0.81	53%	0.529	S	S	*	.			trans	-76.3	87.4	170.8	-57.7	179.4	0	0	0	106.8	P88	P88-I90 PolarHBondContact O-N 3.44Å
91	D	35.1	Very low	45.5	Very low	105 Å²	105	102 Å²	102	56%	0.561	52%	0.524	S	S	*	.			trans	-124.2	157.1	161.5	-102.1	-46.6	0	0	0	108.8	V89 W93	V89-D91 HydrophobicContact CG1-CB 4.23Å; V89-D91 PolarHBondContact O-N 2.85Å; D91-W93 PolarHBondContact O-N 3.3Å; D91-W93 VanDerWaalsContact O-N 3.09Å
92	P	39.1	Very low	47.6	Very low	118 Å²	118	101.2 Å²	101.2	77%	0.766	53%	0.525	S	S	*	.			trans	-84.8	88.5	-166.3	32.7	-35.3	0	0	0	112.7	L94	P92-L94 PolarHBondContact O-N 2.95Å; P92-L94 VanDerWaalsContact O-N 3.08Å
93	W	37.1	Very low	49.8	Very low	171 Å²	171	96.4 Å²	96.4	65%	0.648	50%	0.5	S	S	*	.			trans	-87	71.2	-179.6	-76.7	61.5	0	0	0	113.5	D91 R96	D91-W93 PolarHBondContact O-N 3.3Å; D91-W93 VanDerWaalsContact O-N 3.09Å; W93-R96 HydrophobicContact CE3-CB 3.93Å; W93-R96 HydrophobicContact CE3-CG 3.69Å; W93-R96 HydrophobicContact CH2-CG 4.28Å; W93-R96 VanDerWaalsContact CH2-NE 3.35Å; W93-R96 HydrophobicContact CZ3-CB 3.84Å; W93-R96 VanDerWaalsContact CZ3-CD 3.42Å; W93-R96 HydrophobicContact CZ3-CG 3.47Å; W93-R96 VanDerWaalsContact CZ3-CG 3.47Å
94	L	38.6	Very low	52.2	Low	145 Å²	145	101.2 Å²	101.2	76%	0.759	53%	0.531	S	S	*	.			trans	-79.2	155.7	145.5	-149	67.6	0	0	0	108.4	P92	P92-L94 PolarHBondContact O-N 2.95Å; P92-L94 VanDerWaalsContact O-N 3.08Å
95	D	41.7	Very low	54.6	Low	135 Å²	135	97 Å²	97	72%	0.722	51%	0.513	S	S	*	.			trans	53.4	67.3	167.3	-58.8	-12.9	0	0	0	119.2
96	R	51.9	Low	56.8	Low	130 Å²	130	94 Å²	94	49%	0.491	50%	0.501	S	S	.	.			trans	-125.3	27.6	154.1	-78.1	-121.6	-158.3	167.3	9.2	114.1	W93 T98 C99	W93-R96 HydrophobicContact CE3-CB 3.93Å; W93-R96 HydrophobicContact CE3-CG 3.69Å; W93-R96 HydrophobicContact CH2-CG 4.28Å; W93-R96 VanDerWaalsContact CH2-NE 3.35Å; W93-R96 HydrophobicContact CZ3-CB 3.84Å; W93-R96 VanDerWaalsContact CZ3-CD 3.42Å; W93-R96 HydrophobicContact CZ3-CG 3.47Å; W93-R96 VanDerWaalsContact CZ3-CG 3.47Å; R96-T98 PolarHBondContact O-N 2.92Å; R96-C99 HydrophobicContact CB-CB 4.38Å; R96-C99 PolarHBondContact NH1-SG 3.07Å; R96-C99 VanDerWaalsContact NH1-SG 3.37Å; R96-C99 PolarHBondContact O-N 3.39Å
97	E	53.5	Low	59	Low	104 Å²	104	101.9 Å²	101.9	49%	0.486	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-8.5	-177.6	-55.7	-149.3	120.4	0	0	115.2	Y100 Y146	E97-Y100 VanDerWaalsContact O-CE1 3.3Å; E97-Y100 WeakPolarHBondContact O-CE1 3.49Å; E97-Y146 HydrophobicContact CB-CE2 3.86Å; E97-Y146 HydrophobicContact CG-CE2 4Å; E97-Y146 PolarHBondContact OE1-OH 3.38Å; E97-Y146 PolarHBondContact OE2-OH 3.34Å
98	T	55.6	Low	61.6	Low	81 Å²	81	104.4 Å²	104.4	50%	0.497	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127.4	3.5	-174.8	53.5	0	0	0	0	114.6	R96 Y100 K101	R96-T98 PolarHBondContact O-N 2.92Å; T98-Y100 PolarHBondContact O-N 2.68Å; T98-K101 HydrophobicContact CG2-CD 4.18Å; T98-K101 VanDerWaalsContact O-CB 3.32Å; T98-K101 WeakPolarHBondContact O-CB 3.42Å; T98-K101 WeakPolarHBondContact O-CG 3.15Å; T98-K101 PolarHBondContact O-N 3.15Å
99	C	64.4	Low	64.2	Low	43 Å²	43	102.6 Å²	102.6	29%	0.291	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.7	-170.5	-162.6	0	0	0	0	114.8	R96 T102	R96-C99 HydrophobicContact CB-CB 4.38Å; R96-C99 PolarHBondContact NH1-SG 3.07Å; R96-C99 VanDerWaalsContact NH1-SG 3.37Å; R96-C99 PolarHBondContact O-N 3.39Å; C99-T102 PolarHBondContact O-OG1 3.02Å; C99-T102 VanDerWaalsContact O-OG1 3.05Å
100	Y	79.4	Confident	66.8	Low	20 Å²	20	103 Å²	103	8%	0.078	55%	0.545	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-21.6	173	58.4	-93.9	0	0	0	113.2	E97 T98 T102 I103 R139 L142 Q143 Y146	E97-Y100 VanDerWaalsContact O-CE1 3.3Å; E97-Y100 WeakPolarHBondContact O-CE1 3.49Å; T98-Y100 PolarHBondContact O-N 2.68Å; Y100-T102 VanDerWaalsContact C-N 3.28Å; Y100-T102 PolarHBondContact O-N 2.88Å; Y100-I103 WeakPolarHBondContact O-CB 3.24Å; Y100-I103 PolarHBondContact O-N 3Å; Y100-R139 WeakPolarHBondContact O-CG 3.31Å; Y100-L142 HydrophobicContact CG-CB 4.47Å; Y100-Q143 HydrophobicContact CD2-CB 3.73Å; Y100-Q143 HydrophobicContact CD2-CG 4.06Å; Y100-Q143 HydrophobicContact CE2-CB 3.8Å; Y100-Q143 HydrophobicContact CE2-CG 3.6Å; Y100-Q143 HydrophobicContact CG-CB 4.25Å; Y100-Y146 HydrophobicContact CE1-CD1 4.22Å; Y100-Y146 HydrophobicContact CE1-CG 4.11Å
101	K	79.9	Confident	69.1	Low	116 Å²	116	95.9 Å²	95.9	50%	0.504	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-24.2	-177.2	-59.8	-175.7	-178.3	179.4	0	112.6	T98 R139	T98-K101 HydrophobicContact CG2-CD 4.18Å; T98-K101 VanDerWaalsContact O-CB 3.32Å; T98-K101 WeakPolarHBondContact O-CB 3.42Å; T98-K101 WeakPolarHBondContact O-CG 3.15Å; T98-K101 PolarHBondContact O-N 3.15Å; K101-R139 PolarHBondContact O-NH1 3.46Å
102	T	81.4	Confident	71.8	Confident	116 Å²	116	91.6 Å²	91.6	71%	0.712	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-5.8	176	51.9	0	0	0	0	113.6	C99 Y100 P104	C99-T102 PolarHBondContact O-OG1 3.02Å; C99-T102 VanDerWaalsContact O-OG1 3.05Å; Y100-T102 VanDerWaalsContact C-N 3.28Å; Y100-T102 PolarHBondContact O-N 2.88Å; T102-P104 WeakPolarHBondContact O-CD 3.1Å
103	I	86.4	Confident	74.2	Confident	14 Å²	14	90.8 Å²	90.8	7%	0.072	47%	0.474	C	S	.	.	S	Bend	trans	-74.5	118.2	174	-57.4	175.5	0	0	0	108.2	Y100 R139 L142	Y100-I103 WeakPolarHBondContact O-CB 3.24Å; Y100-I103 PolarHBondContact O-N 3Å; I103-R139 HydrophobicContact CB-CB 4.25Å; I103-R139 HydrophobicContact CG2-CB 4.29Å; I103-R139 WeakPolarHBondContact O-CD 2.89Å; I103-R139 PolarHBondContact O-NH1 2.84Å; I103-L142 HydrophobicContact CD1-CD1 3.59Å
104	P	87.1	Confident	76.7	Confident	106 Å²	106	82.7 Å²	82.7	69%	0.688	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-69.9	146.3	175.7	30.5	-34.6	0	0	0	110.4	T102 H137	T102-P104 WeakPolarHBondContact O-CD 3.1Å; P104-H137 PolarHBondContact O-CE1 2.9Å; P104-H137 VanDerWaalsContact O-CE1 3.27Å
105	I	88.9	Confident	79.1	Confident	53 Å²	53	82 Å²	82	27%	0.272	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-98.6	124.3	170.6	-58.5	157.5	0	0	0	106.4	Y109 Y140	I105-Y109 HydrophobicContact CG2-CD1 3.87Å; I105-Y109 HydrophobicContact CG2-CG 4.24Å; I105-Y140 HydrophobicContact CD1-CE2 4.29Å; I105-Y140 VanDerWaalsContact CD1-OH 3.27Å; I105-Y140 WeakPolarHBondContact CD1-OH 3.13Å
106	P	87.7	Confident	81.3	Confident	66 Å²	66	78.3 Å²	78.3	43%	0.429	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-64.5	140	174.1	-20.7	33.1	0	0	0	111.3	S108 Y109	P106-S108 PolarHBondContact O-N 2.79Å; P106-Y109 VanDerWaalsContact O-CB 3.29Å; P106-Y109 WeakPolarHBondContact O-CB 3.49Å; P106-Y109 PolarHBondContact O-N 2.9Å
107	E	84.3	Confident	83.1	Confident	210 Å²	210	78.2 Å²	78.2	98%	0.981	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.8	175.6	-63.1	175.5	173.4	0	0	113.1	Y109	E107-Y109 VanDerWaalsContact C-N 3.31Å
108	S	88.9	Confident	85	Confident	104 Å²	104	74.1 Å²	74.1	73%	0.727	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	1	173.7	55.1	0	0	0	0	114.8	P106 T110	P106-S108 PolarHBondContact O-N 2.79Å; S108-T110 PolarHBondContact O-N 3.25Å
109	Y	90.9	Very high	86.6	Confident	37 Å²	37	72.5 Å²	72.5	15%	0.145	41%	0.407	C	S	.	.			trans	-82.1	101.6	176.8	176.7	-105.4	0	0	0	111.2	I105 P106 E107 G111 P112 H113 H137 Y140	I105-Y109 HydrophobicContact CG2-CD1 3.87Å; I105-Y109 HydrophobicContact CG2-CG 4.24Å; P106-Y109 VanDerWaalsContact O-CB 3.29Å; P106-Y109 WeakPolarHBondContact O-CB 3.49Å; P106-Y109 PolarHBondContact O-N 2.9Å; E107-Y109 VanDerWaalsContact C-N 3.31Å; Y109-G111 WeakPolarHBondContact CE1-O 3.3Å; Y109-G111 VanDerWaalsContact CZ-CA 3.45Å; Y109-P112 WeakPolarHBondContact CE1-O 3.35Å; Y109-P112 PolarHBondContact OH-O 3.04Å; Y109-H113 AromaticContact CD1-CE1 3.45Å; Y109-H113 VanDerWaalsContact CD1-CE1 3.45Å; Y109-H113 WeakPolarHBondContact CD1-CE1 3.41Å; Y109-H113 AromaticContact CD1-ND1 3.99Å; Y109-H113 AromaticContact CD1-NE2 3.97Å; Y109-H113 AromaticContact CE1-CE1 3.71Å; Y109-H113 AromaticContact CE1-ND1 3.76Å; Y109-H113 PolarHBondContact O-CE1 2.99Å; Y109-H137 HydrophobicContact CD1-CB 4.28Å; Y109-H137 HydrophobicContact CD2-CB 4.1Å; Y109-H137 HydrophobicContact CE1-CB 3.92Å; Y109-H137 HydrophobicContact CE2-CB 3.71Å; Y109-H137 HydrophobicContact CG-CB 4.37Å; Y109-H137 PolarHBondContact OH-N 2.99Å; Y109-H137 VanDerWaalsContact OH-N 3.14Å; Y109-Y140 HydrophobicContact CE1-CD2 4.39Å; Y109-Y140 AromaticContact CE1-CE2 3.97Å; Y109-Y140 HydrophobicContact CE1-CE2 3.97Å
110	T	89.1	Confident	87.7	Confident	131 Å²	131	73.9 Å²	73.9	80%	0.804	41%	0.414	S	S	*	.			trans	-88.5	2.9	179.4	54.8	0	0	0	0	114.5	S108	S108-T110 PolarHBondContact O-N 3.25Å
111	G	89.8	Confident	88.1	Confident	9 Å²	9	77.1 Å²	77.1	9%	0.093	44%	0.44	C	S	.	.	S	Bend	trans	-80.3	178.6	-175.9	0	0	0	0	0	114.3	Y109 H113	Y109-G111 WeakPolarHBondContact CE1-O 3.3Å; Y109-G111 VanDerWaalsContact CZ-CA 3.45Å; G111-H113 PolarHBondContact O-CE1 3.01Å; G111-H113 PolarHBondContact O-N 3.2Å; G111-H113 PolarHBondContact O-ND1 3Å
112	P	91.4	Very high	88.6	Confident	15 Å²	15	72.7 Å²	72.7	10%	0.097	42%	0.422	C	S	.	.			trans	-61.5	137.4	-179.3	24.6	-33.3	0	0	0	111.4	Y109 A125 L126 A129 L136	Y109-P112 WeakPolarHBondContact CE1-O 3.35Å; Y109-P112 PolarHBondContact OH-O 3.04Å; P112-A125 HydrophobicContact CB-CB 4.09Å; P112-L126 HydrophobicContact CB-CD2 4.38Å; P112-L126 HydrophobicContact CG-CD2 3.94Å; P112-A129 HydrophobicContact CG-CB 3.7Å; P112-L136 HydrophobicContact CG-CD1 4.09Å
113	H	91.3	Very high	89	Confident	100 Å²	100	67.2 Å²	67.2	46%	0.463	39%	0.388	S	S	.	.			trans	-109.1	112	177.3	-73.2	60.6	0	0	0	108.2	Y109 G111 Y140	Y109-H113 AromaticContact CD1-CE1 3.45Å; Y109-H113 VanDerWaalsContact CD1-CE1 3.45Å; Y109-H113 WeakPolarHBondContact CD1-CE1 3.41Å; Y109-H113 AromaticContact CD1-ND1 3.99Å; Y109-H113 AromaticContact CD1-NE2 3.97Å; Y109-H113 AromaticContact CE1-CE1 3.71Å; Y109-H113 AromaticContact CE1-ND1 3.76Å; Y109-H113 PolarHBondContact O-CE1 2.99Å; G111-H113 PolarHBondContact O-CE1 3.01Å; G111-H113 PolarHBondContact O-N 3.2Å; G111-H113 PolarHBondContact O-ND1 3Å; H113-Y140 HydrophobicContact CB-CE2 4.34Å; H113-Y140 WeakPolarHBondContact CB-OH 3.34Å; H113-Y140 PolarHBondContact CD2-OH 3.33Å
114	I	89.7	Confident	89	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.005	40%	0.401	C	S	.	.			trans	-91.5	135.7	-174.9	-50.3	179	0	0	0	110.9	F116 L118 L126 L136 Y140 L144	I114-F116 HydrophobicContact CB-CE2 4.47Å; I114-F116 HydrophobicContact CG2-CD2 4.11Å; I114-F116 HydrophobicContact CG2-CE2 3.53Å; I114-F116 HydrophobicContact CG2-CZ 4.03Å; I114-L118 HydrophobicContact CG2-CD2 3.54Å; I114-L118 HydrophobicContact CG2-CG 4.32Å; I114-L126 HydrophobicContact CD1-CD1 3.9Å; I114-L126 HydrophobicContact CD1-CD2 4.02Å; I114-L126 HydrophobicContact CD1-CG 4.37Å; I114-L126 HydrophobicContact CG1-CD1 4.42Å; I114-L126 HydrophobicContact CG1-CD2 4.43Å; I114-L136 HydrophobicContact CD1-CD1 4.07Å; I114-L136 HydrophobicContact CD1-CD2 3.93Å; I114-L136 HydrophobicContact CG1-CD1 4.28Å; I114-Y140 HydrophobicContact CB-CD1 3.92Å; I114-Y140 HydrophobicContact CB-CG 4.34Å; I114-Y140 HydrophobicContact CG1-CD1 4.37Å; I114-Y140 HydrophobicContact CG1-CG 4.28Å; I114-Y140 VanDerWaalsContact O-CE1 3.3Å; I114-Y140 WeakPolarHBondContact O-CE1 3.4Å; I114-L144 HydrophobicContact CD1-CD1 4.02Å
115	L	88.1	Confident	89.1	Confident	130 Å²	130	66.6 Å²	66.6	68%	0.681	39%	0.385	S	S	*	.			trans	-114.9	166.6	164.2	-63.4	177.3	0	0	0	111.4
116	F	87.8	Confident	89.3	Confident	59 Å²	59	64 Å²	64	26%	0.259	37%	0.372	S	S	.	.	S	Bend	trans	-130	136.4	-179.4	-77.9	-91.8	0	0	0	110.3	I114 L118 Q143 L144 E147 L224	I114-F116 HydrophobicContact CB-CE2 4.47Å; I114-F116 HydrophobicContact CG2-CD2 4.11Å; I114-F116 HydrophobicContact CG2-CE2 3.53Å; I114-F116 HydrophobicContact CG2-CZ 4.03Å; F116-L118 HydrophobicContact CD1-CG 4.16Å; F116-L118 HydrophobicContact CE1-CD1 3.63Å; F116-L118 HydrophobicContact CE1-CG 3.67Å; F116-L118 HydrophobicContact CZ-CD1 3.96Å; F116-L118 HydrophobicContact CZ-CG 4Å; F116-Q143 HydrophobicContact CD2-CG 3.98Å; F116-Q143 HydrophobicContact CE2-CG 3.83Å; F116-L144 HydrophobicContact CZ-CB 4.07Å; F116-L144 HydrophobicContact CZ-CG 4.26Å; F116-E147 HydrophobicContact CD1-CB 4.31Å; F116-E147 HydrophobicContact CD1-CG 3.93Å; F116-E147 HydrophobicContact CE1-CB 4.09Å; F116-E147 HydrophobicContact CE1-CG 4.1Å; F116-E147 HydrophobicContact CG-CG 4.32Å; F116-L224 HydrophobicContact CE1-CD1 4.07Å
117	P	89.8	Confident	89.2	Confident	127 Å²	127	61.3 Å²	61.3	83%	0.825	35%	0.353	S	S	*	.	S	Bend	cis	-61.7	147.3	0.5	28.5	-36.6	0	0	0	113
118	L	92.3	Very high	89.4	Confident	18 Å²	18	54 Å²	54	9%	0.094	33%	0.325	C	S	.	.			trans	-65.4	143.1	-178.4	-94.7	165.2	0	0	0	110.6	I114 F116 D122 A221 L224 L225	I114-L118 HydrophobicContact CG2-CD2 3.54Å; I114-L118 HydrophobicContact CG2-CG 4.32Å; F116-L118 HydrophobicContact CD1-CG 4.16Å; F116-L118 HydrophobicContact CE1-CD1 3.63Å; F116-L118 HydrophobicContact CE1-CG 3.67Å; F116-L118 HydrophobicContact CZ-CD1 3.96Å; F116-L118 HydrophobicContact CZ-CG 4Å; L118-D122 HydrophobicContact CD2-CB 3.51Å; L118-A221 HydrophobicContact CD1-CB 4.38Å; L118-L224 HydrophobicContact CD1-CB 3.75Å; L118-L224 HydrophobicContact CD1-CD1 4.34Å; L118-L225 VanDerWaalsContact O-CD1 3.31Å; L118-L225 WeakPolarHBondContact O-CD1 3.28Å
119	S	90.1	Very high	89.5	Confident	47 Å²	47	49.2 Å²	49.2	33%	0.329	29%	0.292	S	S	.	.			trans	-109.1	164.5	171.2	79	0	0	0	0	112.6	S121 D122 T123	S119-S121 PolarHBondContact O-N 3.08Å; S119-S121 WeakPolarHBondContact OG-CB 3.14Å; S119-S121 PolarHBondContact OG-N 2.92Å; S119-D122 WeakPolarHBondContact CA-OD2 3.3Å; S119-D122 VanDerWaalsContact CB-OD2 3.25Å; S119-D122 WeakPolarHBondContact CB-OD2 3.47Å; S119-D122 PolarHBondContact N-OD2 3.11Å; S119-D122 PolarHBondContact O-N 2.82Å; S119-D122 PolarHBondContact OG-N 3.01Å; S119-D122 PolarHBondContact OG-OD2 3.3Å; S119-T123 PolarHBondContact O-N 3.31Å
120	V	88.3	Confident	89.6	Confident	72 Å²	72	47.5 Å²	47.5	44%	0.436	29%	0.286	S	S	.	.	H	α-helix	trans	-58.3	-31	169.9	-171.3	0	0	0	0	111.1	T123 N124 L225	V120-T123 PolarHBondContact O-OG1 2.91Å; V120-N124 WeakPolarHBondContact O-CB 3.41Å; V120-N124 PolarHBondContact O-N 3.36Å; V120-N124 PolarHBondContact O-ND2 3.42Å; V120-L225 HydrophobicContact CG2-CD2 4.29Å
121	S	87.1	Confident	89.5	Confident	88 Å²	88	46.3 Å²	46.3	62%	0.615	27%	0.269	S	S	*	.	H	α-helix	trans	-64.9	-45.6	175.8	-164.6	0	0	0	0	111.9	S119 T123 N124 A125	S119-S121 PolarHBondContact O-N 3.08Å; S119-S121 WeakPolarHBondContact OG-CB 3.14Å; S119-S121 PolarHBondContact OG-N 2.92Å; S121-T123 PolarHBondContact O-N 3.09Å; S121-N124 PolarHBondContact O-N 3.38Å; S121-A125 WeakPolarHBondContact O-CB 3.43Å; S121-A125 PolarHBondContact O-N 2.9Å
122	D	90.9	Very high	89.4	Confident	24 Å²	24	52.2 Å²	52.2	13%	0.128	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-44.8	177.9	-59.4	-83	0	0	0	111.5	L118 S119 A125 L126	L118-D122 HydrophobicContact CD2-CB 3.51Å; S119-D122 WeakPolarHBondContact CA-OD2 3.3Å; S119-D122 VanDerWaalsContact CB-OD2 3.25Å; S119-D122 WeakPolarHBondContact CB-OD2 3.47Å; S119-D122 PolarHBondContact N-OD2 3.11Å; S119-D122 PolarHBondContact O-N 2.82Å; S119-D122 PolarHBondContact OG-N 3.01Å; S119-D122 PolarHBondContact OG-OD2 3.3Å; D122-A125 PolarHBondContact O-N 3.08Å; D122-L126 WeakPolarHBondContact O-CB 3.15Å; D122-L126 VanDerWaalsContact O-CG 3.32Å; D122-L126 WeakPolarHBondContact O-CG 3.15Å; D122-L126 PolarHBondContact O-N 2.63Å
123	T	88.6	Confident	89.3	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-66.9	-36.5	178.2	59.5	0	0	0	0	112.7	S119 V120 S121 L127 A221 Y222 L225	S119-T123 PolarHBondContact O-N 3.31Å; V120-T123 PolarHBondContact O-OG1 2.91Å; S121-T123 PolarHBondContact O-N 3.09Å; T123-L127 VanDerWaalsContact O-CB 3.23Å; T123-L127 WeakPolarHBondContact O-CB 3.29Å; T123-L127 PolarHBondContact O-N 3.46Å; T123-A221 HydrophobicContact CG2-CB 4.13Å; T123-Y222 HydrophobicContact CG2-CD1 4.34Å; T123-Y222 HydrophobicContact CG2-CE1 4.14Å; T123-L225 HydrophobicContact CG2-CB 4.46Å; T123-L225 HydrophobicContact CG2-CD2 3.65Å
124	N	86.9	Confident	89.3	Confident	63 Å²	63	56.5 Å²	56.5	34%	0.337	31%	0.314	S	S	.	.	H	α-helix	trans	-68.5	-37.5	173.3	-78.2	-29.2	0	0	0	112.8	V120 S121 S128 L192	V120-N124 WeakPolarHBondContact O-CB 3.41Å; V120-N124 PolarHBondContact O-N 3.36Å; V120-N124 PolarHBondContact O-ND2 3.42Å; S121-N124 PolarHBondContact O-N 3.38Å; N124-S128 WeakPolarHBondContact O-CB 3.34Å; N124-S128 PolarHBondContact O-N 3.02Å; N124-S128 PolarHBondContact O-OG 3.45Å; N124-L192 WeakPolarHBondContact OD1-CD1 3.33Å
125	A	89.3	Confident	89.5	Confident	43 Å²	43	60.2 Å²	60.2	36%	0.355	33%	0.333	S	S	.	.	H	α-helix	trans	-65.1	-45.7	174.3	0	0	0	0	0	111.3	P112 S121 D122 S128 A129	P112-A125 HydrophobicContact CB-CB 4.09Å; S121-A125 WeakPolarHBondContact O-CB 3.43Å; S121-A125 PolarHBondContact O-N 2.9Å; D122-A125 PolarHBondContact O-N 3.08Å; A125-S128 PolarHBondContact O-N 2.78Å; A125-A129 VanDerWaalsContact O-CB 3.27Å; A125-A129 WeakPolarHBondContact O-CB 3.45Å; A125-A129 PolarHBondContact O-N 2.93Å
126	L	92.4	Very high	89.9	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.3	-49.3	173.1	-75.2	167.4	0	0	0	112.3	P112 I114 D122 S128 A129 F130 L136 L218 A221	P112-L126 HydrophobicContact CB-CD2 4.38Å; P112-L126 HydrophobicContact CG-CD2 3.94Å; I114-L126 HydrophobicContact CD1-CD1 3.9Å; I114-L126 HydrophobicContact CD1-CD2 4.02Å; I114-L126 HydrophobicContact CD1-CG 4.37Å; I114-L126 HydrophobicContact CG1-CD1 4.42Å; I114-L126 HydrophobicContact CG1-CD2 4.43Å; D122-L126 WeakPolarHBondContact O-CB 3.15Å; D122-L126 VanDerWaalsContact O-CG 3.32Å; D122-L126 WeakPolarHBondContact O-CG 3.15Å; D122-L126 PolarHBondContact O-N 2.63Å; L126-S128 PolarHBondContact O-N 2.96Å; L126-A129 PolarHBondContact O-N 3.02Å; L126-F130 HydrophobicContact CD2-CE2 4.4Å; L126-F130 HydrophobicContact CD2-CZ 4Å; L126-F130 WeakPolarHBondContact O-CB 3.29Å; L126-F130 WeakPolarHBondContact O-CG 3.4Å; L126-F130 PolarHBondContact O-N 3.23Å; L126-L136 HydrophobicContact CD2-CD1 3.84Å; L126-L136 HydrophobicContact CD2-CD2 3.93Å; L126-L136 HydrophobicContact CD2-CG 4.37Å; L126-L218 HydrophobicContact CB-CD2 4Å; L126-A221 HydrophobicContact CD1-CB 4.1Å
127	L	87	Confident	90.2	Very high	8 Å²	8	52.9 Å²	52.9	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-34.2	-179.7	-179.1	63.8	0	0	0	112.1	T123 K131 V184 L192 L218	T123-L127 VanDerWaalsContact O-CB 3.23Å; T123-L127 WeakPolarHBondContact O-CB 3.29Å; T123-L127 PolarHBondContact O-N 3.46Å; L127-K131 VanDerWaalsContact O-CD 3.29Å; L127-K131 WeakPolarHBondContact O-CD 3.45Å; L127-K131 WeakPolarHBondContact O-CG 3.4Å; L127-K131 PolarHBondContact O-N 3.02Å; L127-V184 HydrophobicContact CD1-CG2 4.03Å; L127-L192 HydrophobicContact CD2-CD2 3.48Å; L127-L192 VanDerWaalsContact CD2-CD2 3.48Å; L127-L218 HydrophobicContact CB-CD2 4.16Å; L127-L218 HydrophobicContact CD1-CD1 3.89Å; L127-L218 HydrophobicContact CD1-CD2 4.45Å
128	S	88.6	Confident	90.4	Very high	56 Å²	56	47.2 Å²	47.2	39%	0.392	26%	0.259	S	S	.	.	H	α-helix	trans	-75.1	-48.9	177.1	-55.9	0	0	0	0	111.3	N124 A125 L126 F130 K131 E132	N124-S128 WeakPolarHBondContact O-CB 3.34Å; N124-S128 PolarHBondContact O-N 3.02Å; N124-S128 PolarHBondContact O-OG 3.45Å; A125-S128 PolarHBondContact O-N 2.78Å; L126-S128 PolarHBondContact O-N 2.96Å; S128-F130 VanDerWaalsContact C-N 3.31Å; S128-F130 PolarHBondContact O-N 3.22Å; S128-K131 WeakPolarHBondContact O-CB 3.47Å; S128-K131 PolarHBondContact O-N 3.17Å; S128-K131 VanDerWaalsContact O-N 3.11Å; S128-E132 PolarHBondContact O-N 3.29Å
129	A	91.1	Very high	90.5	Very high	4 Å²	4	49.3 Å²	49.3	3%	0.033	27%	0.266	C	S	.	.	H	α-helix	trans	-56.2	-42.1	176.6	0	0	0	0	0	112.6	P112 A125 L126 E132 Q133 Q134	P112-A129 HydrophobicContact CG-CB 3.7Å; A125-A129 VanDerWaalsContact O-CB 3.27Å; A125-A129 WeakPolarHBondContact O-CB 3.45Å; A125-A129 PolarHBondContact O-N 2.93Å; L126-A129 PolarHBondContact O-N 3.02Å; A129-E132 CarbonylContact O-C 3.56Å; A129-E132 PolarHBondContact O-N 3.19Å; A129-Q133 PolarHBondContact O-N 3.4Å; A129-Q133 VanDerWaalsContact O-N 3.1Å; A129-Q134 HydrophobicContact CB-CB 4.08Å; A129-Q134 HydrophobicContact CB-CG 4.38Å; A129-Q134 WeakPolarHBondContact O-CB 3.42Å; A129-Q134 PolarHBondContact O-N 3.33Å
130	F	92.4	Very high	90.7	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.009	25%	0.253	C	S	.	.	H	α-helix	trans	-74.8	-26.6	178.5	-64.4	-14.1	0	0	0	113.8	L126 S128 E132 Q133 L136 L180 E214 I217 L218	L126-F130 HydrophobicContact CD2-CE2 4.4Å; L126-F130 HydrophobicContact CD2-CZ 4Å; L126-F130 WeakPolarHBondContact O-CB 3.29Å; L126-F130 WeakPolarHBondContact O-CG 3.4Å; L126-F130 PolarHBondContact O-N 3.23Å; S128-F130 VanDerWaalsContact C-N 3.31Å; S128-F130 PolarHBondContact O-N 3.22Å; F130-E132 VanDerWaalsContact C-N 3.31Å; F130-Q133 PolarHBondContact O-N 2.59Å; F130-L136 HydrophobicContact CE1-CB 3.84Å; F130-L136 HydrophobicContact CZ-CB 3.96Å; F130-L136 HydrophobicContact CZ-CD2 4.44Å; F130-L180 HydrophobicContact CB-CD2 3.85Å; F130-L180 WeakPolarHBondContact O-CD2 3.1Å; F130-E214 HydrophobicContact CB-CB 4.08Å; F130-E214 HydrophobicContact CB-CG 3.97Å; F130-E214 HydrophobicContact CD1-CB 4.42Å; F130-E214 HydrophobicContact CD1-CG 3.79Å; F130-E214 HydrophobicContact CD2-CB 3.62Å; F130-E214 HydrophobicContact CD2-CG 3.92Å; F130-E214 HydrophobicContact CE1-CG 4.21Å; F130-E214 HydrophobicContact CE2-CB 4.1Å; F130-E214 HydrophobicContact CE2-CG 4.34Å; F130-E214 HydrophobicContact CG-CB 3.81Å; F130-E214 HydrophobicContact CG-CG 3.63Å; F130-E214 HydrophobicContact CZ-CG 4.48Å; F130-I217 HydrophobicContact CE2-CB 4.19Å; F130-I217 HydrophobicContact CE2-CG2 3.97Å; F130-I217 HydrophobicContact CZ-CB 4.39Å; F130-I217 HydrophobicContact CZ-CG2 3.98Å; F130-L218 HydrophobicContact CD2-CD1 3.9Å; F130-L218 HydrophobicContact CD2-CD2 4.21Å; F130-L218 HydrophobicContact CD2-CG 3.73Å; F130-L218 HydrophobicContact CE2-CD2 4.44Å; F130-L218 HydrophobicContact CE2-CG 4.01Å
131	K	86.1	Confident	91	Very high	105 Å²	105	44.3 Å²	44.3	46%	0.457	23%	0.232	S	C	.	.	H	α-helix	trans	-64.3	-39.6	167.2	-74	162.3	-174.7	166.7	0	110.9	L127 S128 Q133 V184	L127-K131 VanDerWaalsContact O-CD 3.29Å; L127-K131 WeakPolarHBondContact O-CD 3.45Å; L127-K131 WeakPolarHBondContact O-CG 3.4Å; L127-K131 PolarHBondContact O-N 3.02Å; S128-K131 WeakPolarHBondContact O-CB 3.47Å; S128-K131 PolarHBondContact O-N 3.17Å; S128-K131 VanDerWaalsContact O-N 3.11Å; K131-Q133 PolarHBondContact O-N 3.22Å; K131-V184 HydrophobicContact CG-CG2 4.39Å
132	E	87.4	Confident	91.4	Very high	133 Å²	133	40.8 Å²	40.8	62%	0.621	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-2.5	175.6	-69.1	179.7	-170.7	0	0	114.4	S128 A129 F130 Q134	S128-E132 PolarHBondContact O-N 3.29Å; A129-E132 CarbonylContact O-C 3.56Å; A129-E132 PolarHBondContact O-N 3.19Å; F130-E132 VanDerWaalsContact C-N 3.31Å; E132-Q134 VanDerWaalsContact C-N 3.26Å; E132-Q134 HydrophobicContact CB-CG 4.07Å; E132-Q134 PolarHBondContact O-N 3.37Å; E132-Q134 PolarHBondContact OE2-NE2 3.49Å
133	Q	89.6	Confident	91.5	Very high	148 Å²	148	41 Å²	41	69%	0.692	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	23.2	-177.8	-50.8	172.2	58.7	0	0	114.1	A129 F130 K131	A129-Q133 PolarHBondContact O-N 3.4Å; A129-Q133 VanDerWaalsContact O-N 3.1Å; F130-Q133 PolarHBondContact O-N 2.59Å; K131-Q133 PolarHBondContact O-N 3.22Å
134	Q	92.3	Very high	91.9	Very high	58 Å²	58	41 Å²	41	27%	0.271	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-69	146.9	168.3	-52.5	-175.4	15.3	0	0	110.5	A129 E132	A129-Q134 HydrophobicContact CB-CB 4.08Å; A129-Q134 HydrophobicContact CB-CG 4.38Å; A129-Q134 WeakPolarHBondContact O-CB 3.42Å; A129-Q134 PolarHBondContact O-N 3.33Å; E132-Q134 VanDerWaalsContact C-N 3.26Å; E132-Q134 HydrophobicContact CB-CG 4.07Å; E132-Q134 PolarHBondContact O-N 3.37Å; E132-Q134 PolarHBondContact OE2-NE2 3.49Å
135	I	93.4	Very high	92.3	Very high	79 Å²	79	38 Å²	38	41%	0.405	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-99.4	124.3	178.8	-59.4	174.8	0	0	0	109	K255 Y256	I135-K255 HydrophobicContact CD1-CG 4.32Å; I135-K255 HydrophobicContact CG2-CB 4.5Å; I135-Y256 HydrophobicContact CG2-CE1 3.73Å
136	L	95.8	Very high	92.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-62.9	133.8	174.5	177.8	64.4	0	0	0	110.6	P112 I114 L126 F130 Y140 V141 I217 Y256	P112-L136 HydrophobicContact CG-CD1 4.09Å; I114-L136 HydrophobicContact CD1-CD1 4.07Å; I114-L136 HydrophobicContact CD1-CD2 3.93Å; I114-L136 HydrophobicContact CG1-CD1 4.28Å; L126-L136 HydrophobicContact CD2-CD1 3.84Å; L126-L136 HydrophobicContact CD2-CD2 3.93Å; L126-L136 HydrophobicContact CD2-CG 4.37Å; F130-L136 HydrophobicContact CE1-CB 3.84Å; F130-L136 HydrophobicContact CZ-CB 3.96Å; F130-L136 HydrophobicContact CZ-CD2 4.44Å; L136-Y140 HydrophobicContact CD1-CD2 4Å; L136-Y140 HydrophobicContact CD1-CG 4.19Å; L136-V141 HydrophobicContact CB-CG2 4.24Å; L136-V141 HydrophobicContact CD2-CG2 3.82Å; L136-V141 HydrophobicContact CG-CG2 4Å; L136-I217 HydrophobicContact CD2-CG2 3.87Å; L136-Y256 VanDerWaalsContact O-CE1 3.25Å; L136-Y256 WeakPolarHBondContact O-CE1 3.4Å; L136-Y256 PolarHBondContact O-OH 2.77Å
137	H	95.6	Very high	92.6	Very high	34 Å²	34	39.8 Å²	39.8	16%	0.157	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-60.5	140.9	-179.2	-169	-115.9	0	0	0	113	P104 Y109 R139 Y140 V141	P104-H137 PolarHBondContact O-CE1 2.9Å; P104-H137 VanDerWaalsContact O-CE1 3.27Å; Y109-H137 HydrophobicContact CD1-CB 4.28Å; Y109-H137 HydrophobicContact CD2-CB 4.1Å; Y109-H137 HydrophobicContact CE1-CB 3.92Å; Y109-H137 HydrophobicContact CE2-CB 3.71Å; Y109-H137 HydrophobicContact CG-CB 4.37Å; Y109-H137 PolarHBondContact OH-N 2.99Å; Y109-H137 VanDerWaalsContact OH-N 3.14Å; H137-R139 PolarHBondContact O-N 3.48Å; H137-Y140 HydrophobicContact CB-CD2 3.84Å; H137-Y140 HydrophobicContact CB-CE2 4.24Å; H137-Y140 PolarHBondContact O-N 2.99Å; H137-V141 PolarHBondContact O-N 2.87Å
138	A	93.7	Very high	93	Very high	8 Å²	8	39.4 Å²	39.4	7%	0.066	19%	0.188	C	C	.	.	H	α-helix	trans	-53.7	-34.3	-173.1	0	0	0	0	0	114.2	Y140 V141 L142 Y256 H259 I263	A138-Y140 PolarHBondContact O-N 3.46Å; A138-V141 PolarHBondContact O-N 3.33Å; A138-L142 WeakPolarHBondContact O-CG 3.23Å; A138-L142 PolarHBondContact O-N 3.39Å; A138-Y256 HydrophobicContact CB-CD1 3.93Å; A138-Y256 HydrophobicContact CB-CE1 4.45Å; A138-H259 HydrophobicContact CB-CB 4.15Å; A138-I263 HydrophobicContact CB-CD1 4.18Å
139	R	93.2	Very high	93.3	Very high	62 Å²	62	38.9 Å²	38.9	23%	0.234	18%	0.179	C	C	.	.	H	α-helix	trans	-56.3	-47.1	173.3	172.7	169.8	172.6	138	-0.7	112.7	Y100 K101 I103 H137 L142 Q143	Y100-R139 WeakPolarHBondContact O-CG 3.31Å; K101-R139 PolarHBondContact O-NH1 3.46Å; I103-R139 HydrophobicContact CB-CB 4.25Å; I103-R139 HydrophobicContact CG2-CB 4.29Å; I103-R139 WeakPolarHBondContact O-CD 2.89Å; I103-R139 PolarHBondContact O-NH1 2.84Å; H137-R139 PolarHBondContact O-N 3.48Å; R139-L142 PolarHBondContact O-N 3.48Å; R139-Q143 VanDerWaalsContact O-CB 3.28Å; R139-Q143 WeakPolarHBondContact O-CB 3.46Å; R139-Q143 PolarHBondContact O-N 3.04Å
140	Y	95	Very high	93.5	Very high	15 Å²	15	43.7 Å²	43.7	6%	0.059	20%	0.199	C	C	.	.	H	α-helix	trans	-73.4	-34.5	-178.3	-62.4	-55.6	0	0	0	111.9	I105 Y109 H113 I114 L136 H137 A138 Q143 L144	I105-Y140 HydrophobicContact CD1-CE2 4.29Å; I105-Y140 VanDerWaalsContact CD1-OH 3.27Å; I105-Y140 WeakPolarHBondContact CD1-OH 3.13Å; Y109-Y140 HydrophobicContact CE1-CD2 4.39Å; Y109-Y140 AromaticContact CE1-CE2 3.97Å; Y109-Y140 HydrophobicContact CE1-CE2 3.97Å; H113-Y140 HydrophobicContact CB-CE2 4.34Å; H113-Y140 WeakPolarHBondContact CB-OH 3.34Å; H113-Y140 PolarHBondContact CD2-OH 3.33Å; I114-Y140 HydrophobicContact CB-CD1 3.92Å; I114-Y140 HydrophobicContact CB-CG 4.34Å; I114-Y140 HydrophobicContact CG1-CD1 4.37Å; I114-Y140 HydrophobicContact CG1-CG 4.28Å; I114-Y140 VanDerWaalsContact O-CE1 3.3Å; I114-Y140 WeakPolarHBondContact O-CE1 3.4Å; L136-Y140 HydrophobicContact CD1-CD2 4Å; L136-Y140 HydrophobicContact CD1-CG 4.19Å; H137-Y140 HydrophobicContact CB-CD2 3.84Å; H137-Y140 HydrophobicContact CB-CE2 4.24Å; H137-Y140 PolarHBondContact O-N 2.99Å; A138-Y140 PolarHBondContact O-N 3.46Å; Y140-Q143 PolarHBondContact O-N 3.23Å; Y140-L144 VanDerWaalsContact O-CB 3.25Å; Y140-L144 WeakPolarHBondContact O-CB 3.21Å; Y140-L144 PolarHBondContact O-N 2.74Å
141	V	95.8	Very high	93.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58	-53.2	169.8	174.2	0	0	0	0	110.6	L136 H137 A138 Q143 L144 L145 I217 Y256 I263	L136-V141 HydrophobicContact CB-CG2 4.24Å; L136-V141 HydrophobicContact CD2-CG2 3.82Å; L136-V141 HydrophobicContact CG-CG2 4Å; H137-V141 PolarHBondContact O-N 2.87Å; A138-V141 PolarHBondContact O-N 3.33Å; V141-Q143 PolarHBondContact O-N 2.79Å; V141-L144 PolarHBondContact O-N 2.78Å; V141-L145 HydrophobicContact CG1-CD1 3.85Å; V141-L145 HydrophobicContact CG1-CG 4.49Å; V141-L145 WeakPolarHBondContact O-CB 3.42Å; V141-L145 VanDerWaalsContact O-CG 3.23Å; V141-L145 WeakPolarHBondContact O-CG 3.25Å; V141-L145 PolarHBondContact O-N 3.12Å; V141-I217 HydrophobicContact CG1-CD1 4.16Å; V141-Y256 HydrophobicContact CG2-CE1 4.28Å; V141-Y256 HydrophobicContact CG2-CE2 4.44Å; V141-I263 HydrophobicContact CB-CD1 4.45Å; V141-I263 HydrophobicContact CG1-CD1 4.08Å; V141-I263 HydrophobicContact CG1-CG1 4.11Å; V141-I263 HydrophobicContact CG1-CG2 3.79Å
142	L	93.8	Very high	94.1	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.068	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-39.9	179.5	-73.4	168.4	0	0	0	112.6	Y100 I103 A138 R139 Y146 H259 E262 I263 L266	Y100-L142 HydrophobicContact CG-CB 4.47Å; I103-L142 HydrophobicContact CD1-CD1 3.59Å; A138-L142 WeakPolarHBondContact O-CG 3.23Å; A138-L142 PolarHBondContact O-N 3.39Å; R139-L142 PolarHBondContact O-N 3.48Å; L142-Y146 VanDerWaalsContact O-CB 3.29Å; L142-Y146 WeakPolarHBondContact O-CB 3.41Å; L142-Y146 PolarHBondContact O-N 3.09Å; L142-H259 HydrophobicContact CD1-CB 4.49Å; L142-E262 HydrophobicContact CD2-CB 4.32Å; L142-I263 HydrophobicContact CD1-CG1 4.38Å; L142-I263 HydrophobicContact CD2-CB 4.38Å; L142-I263 HydrophobicContact CD2-CG1 3.59Å; L142-I263 HydrophobicContact CG-CG1 3.74Å; L142-L266 HydrophobicContact CD2-CD2 3.99Å
143	Q	93.7	Very high	94.4	Very high	30 Å²	30	40.3 Å²	40.3	14%	0.14	18%	0.184	C	C	.	.	H	α-helix	trans	-64.6	-45.3	177.7	-175.2	172.8	-7.7	0	0	112.2	Y100 F116 R139 Y140 V141 Y146 E147	Y100-Q143 HydrophobicContact CD2-CB 3.73Å; Y100-Q143 HydrophobicContact CD2-CG 4.06Å; Y100-Q143 HydrophobicContact CE2-CB 3.8Å; Y100-Q143 HydrophobicContact CE2-CG 3.6Å; Y100-Q143 HydrophobicContact CG-CB 4.25Å; F116-Q143 HydrophobicContact CD2-CG 3.98Å; F116-Q143 HydrophobicContact CE2-CG 3.83Å; R139-Q143 VanDerWaalsContact O-CB 3.28Å; R139-Q143 WeakPolarHBondContact O-CB 3.46Å; R139-Q143 PolarHBondContact O-N 3.04Å; Y140-Q143 PolarHBondContact O-N 3.23Å; V141-Q143 PolarHBondContact O-N 2.79Å; Q143-Y146 PolarHBondContact O-N 3.14Å; Q143-E147 PolarHBondContact O-N 2.89Å; Q143-E147 VanDerWaalsContact O-N 3.09Å
144	L	96	Very high	94.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67.2	-42	178.8	-174.1	151.9	0	0	0	111.8	I114 F116 Y140 V141 Y146 E147 S148 I217 L220 A221 L224	I114-L144 HydrophobicContact CD1-CD1 4.02Å; F116-L144 HydrophobicContact CZ-CB 4.07Å; F116-L144 HydrophobicContact CZ-CG 4.26Å; Y140-L144 VanDerWaalsContact O-CB 3.25Å; Y140-L144 WeakPolarHBondContact O-CB 3.21Å; Y140-L144 PolarHBondContact O-N 2.74Å; V141-L144 PolarHBondContact O-N 2.78Å; L144-Y146 VanDerWaalsContact C-N 3.28Å; L144-Y146 PolarHBondContact O-N 3.18Å; L144-E147 PolarHBondContact O-N 2.9Å; L144-S148 WeakPolarHBondContact O-CB 3.43Å; L144-S148 PolarHBondContact O-N 2.91Å; L144-S148 PolarHBondContact O-OG 2.77Å; L144-I217 HydrophobicContact CD1-CG2 4.14Å; L144-I217 HydrophobicContact CD2-CD1 4.04Å; L144-L220 HydrophobicContact CD2-CB 3.66Å; L144-L220 HydrophobicContact CD2-CD1 4.45Å; L144-A221 HydrophobicContact CD1-CB 4.02Å; L144-L224 HydrophobicContact CD2-CD1 4.42Å; L144-L224 HydrophobicContact CG-CD1 4.11Å
145	L	95.8	Very high	94.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.6	-32.4	173.9	-67.9	172.7	0	0	0	112.3	V141 K149 I217 L220 I263 L266 F267 V270	V141-L145 HydrophobicContact CG1-CD1 3.85Å; V141-L145 HydrophobicContact CG1-CG 4.49Å; V141-L145 WeakPolarHBondContact O-CB 3.42Å; V141-L145 VanDerWaalsContact O-CG 3.23Å; V141-L145 WeakPolarHBondContact O-CG 3.25Å; V141-L145 PolarHBondContact O-N 3.12Å; L145-K149 VanDerWaalsContact O-CB 3.29Å; L145-K149 WeakPolarHBondContact O-CB 3.38Å; L145-K149 PolarHBondContact O-N 3.46Å; L145-I217 HydrophobicContact CD2-CD1 4.37Å; L145-I217 HydrophobicContact CG-CD1 4.42Å; L145-L220 HydrophobicContact CD2-CD1 3.65Å; L145-I263 HydrophobicContact CD1-CG2 4.22Å; L145-L266 HydrophobicContact CB-CD2 3.57Å; L145-L266 HydrophobicContact CB-CG 3.81Å; L145-L266 HydrophobicContact CD1-CD2 4.45Å; L145-F267 HydrophobicContact CD1-CD1 4.28Å; L145-F267 HydrophobicContact CD1-CD2 3.87Å; L145-F267 HydrophobicContact CD1-CE1 4.19Å; L145-F267 HydrophobicContact CD1-CE2 3.77Å; L145-F267 HydrophobicContact CD1-CG 4.12Å; L145-F267 HydrophobicContact CD1-CZ 3.92Å; L145-F267 HydrophobicContact CD2-CD1 3.66Å; L145-F267 HydrophobicContact CD2-CE1 3.41Å; L145-F267 VanDerWaalsContact CD2-CE1 3.41Å; L145-F267 HydrophobicContact CD2-CE2 4.48Å; L145-F267 HydrophobicContact CD2-CG 4.3Å; L145-F267 HydrophobicContact CD2-CZ 3.85Å; L145-F267 HydrophobicContact CG-CE1 4.39Å; L145-F267 HydrophobicContact CG-CZ 4.41Å; L145-V270 HydrophobicContact CB-CG2 4.35Å; L145-V270 HydrophobicContact CD2-CG2 4.27Å; L145-V270 WeakPolarHBondContact O-CG2 3.41Å
146	Y	93.6	Very high	94.9	Very high	39 Å²	39	39.1 Å²	39.1	15%	0.153	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-48.3	176.1	176.7	-92.9	0	0	0	112	E97 Y100 L142 Q143 L144 S148 K149 K150	E97-Y146 HydrophobicContact CB-CE2 3.86Å; E97-Y146 HydrophobicContact CG-CE2 4Å; E97-Y146 PolarHBondContact OE1-OH 3.38Å; E97-Y146 PolarHBondContact OE2-OH 3.34Å; Y100-Y146 HydrophobicContact CE1-CD1 4.22Å; Y100-Y146 HydrophobicContact CE1-CG 4.11Å; L142-Y146 VanDerWaalsContact O-CB 3.29Å; L142-Y146 WeakPolarHBondContact O-CB 3.41Å; L142-Y146 PolarHBondContact O-N 3.09Å; Q143-Y146 PolarHBondContact O-N 3.14Å; L144-Y146 VanDerWaalsContact C-N 3.28Å; L144-Y146 PolarHBondContact O-N 3.18Å; Y146-S148 VanDerWaalsContact C-N 3.34Å; Y146-S148 PolarHBondContact O-N 2.78Å; Y146-K149 WeakPolarHBondContact O-CB 3.28Å; Y146-K149 PolarHBondContact O-N 3.21Å; Y146-K150 PolarHBondContact O-N 2.94Å; Y146-K150 VanDerWaalsContact O-N 3.11Å
147	E	94.9	Very high	94.8	Very high	41 Å²	41	39.5 Å²	39.5	19%	0.192	19%	0.185	C	C	.	.	H	α-helix	trans	-67.3	-34.7	174.8	-63.6	-59.1	142.9	0	0	111.7	F116 Q143 L144 K149 K150 L151 L224	F116-E147 HydrophobicContact CD1-CB 4.31Å; F116-E147 HydrophobicContact CD1-CG 3.93Å; F116-E147 HydrophobicContact CE1-CB 4.09Å; F116-E147 HydrophobicContact CE1-CG 4.1Å; F116-E147 HydrophobicContact CG-CG 4.32Å; Q143-E147 PolarHBondContact O-N 2.89Å; Q143-E147 VanDerWaalsContact O-N 3.09Å; L144-E147 PolarHBondContact O-N 2.9Å; E147-K149 PolarHBondContact O-N 3.04Å; E147-K150 WeakPolarHBondContact O-CB 3.31Å; E147-K150 PolarHBondContact O-N 2.83Å; E147-K150 VanDerWaalsContact O-N 3.14Å; E147-K150 IonicContact OE1-NZ 2.95Å; E147-K150 WeakPolarHBondContact OE2-CD 3.05Å; E147-K150 IonicContact OE2-NZ 3.22Å; E147-K150 PolarHBondContact OE2-NZ 3.48Å; E147-L151 PolarHBondContact O-N 2.82Å; E147-L224 HydrophobicContact CB-CD1 4.21Å; E147-L224 HydrophobicContact CB-CD2 4.14Å
148	S	96.3	Very high	94.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.9	-46.6	171.2	-59.5	0	0	0	0	111.5	L144 Y146 K150 L151 L152 L224	L144-S148 WeakPolarHBondContact O-CB 3.43Å; L144-S148 PolarHBondContact O-N 2.91Å; L144-S148 PolarHBondContact O-OG 2.77Å; Y146-S148 VanDerWaalsContact C-N 3.34Å; Y146-S148 PolarHBondContact O-N 2.78Å; S148-K150 PolarHBondContact O-N 2.86Å; S148-L151 PolarHBondContact O-N 3.48Å; S148-L152 VanDerWaalsContact O-CB 3.28Å; S148-L152 WeakPolarHBondContact O-CB 3.31Å; S148-L152 VanDerWaalsContact O-CG 3.24Å; S148-L152 WeakPolarHBondContact O-CG 3.37Å; S148-L152 PolarHBondContact O-N 2.89Å; S148-L224 WeakPolarHBondContact OG-CD1 3.29Å
149	K	94.8	Very high	94.9	Very high	45 Å²	45	38.4 Å²	38.4	20%	0.196	18%	0.18	C	C	.	.	H	α-helix	trans	-61.7	-31.5	177.1	179.1	170.1	176.1	-179.7	0	112.3	L145 Y146 E147 K153 L266 D269 V270 L273	L145-K149 VanDerWaalsContact O-CB 3.29Å; L145-K149 WeakPolarHBondContact O-CB 3.38Å; L145-K149 PolarHBondContact O-N 3.46Å; Y146-K149 WeakPolarHBondContact O-CB 3.28Å; Y146-K149 PolarHBondContact O-N 3.21Å; E147-K149 PolarHBondContact O-N 3.04Å; K149-K153 WeakPolarHBondContact O-CB 3.25Å; K149-K153 VanDerWaalsContact O-CG 3.26Å; K149-K153 WeakPolarHBondContact O-CG 3.43Å; K149-K153 PolarHBondContact O-N 3.23Å; K149-L266 HydrophobicContact CD-CD1 3.63Å; K149-D269 HydrophobicContact CD-CB 4.08Å; K149-D269 IonicContact NZ-OD2 3.12Å; K149-D269 PolarHBondContact NZ-OD2 3.38Å; K149-V270 HydrophobicContact CB-CG2 3.92Å; K149-L273 HydrophobicContact CG-CD1 3.75Å
150	K	94.1	Very high	95	Very high	106 Å²	106	41.9 Å²	41.9	46%	0.461	20%	0.198	S	C	.	.	H	α-helix	trans	-74.2	-44.9	176.8	176	176.3	150.9	-152.2	0	112.2	Y146 E147 S148	Y146-K150 PolarHBondContact O-N 2.94Å; Y146-K150 VanDerWaalsContact O-N 3.11Å; E147-K150 WeakPolarHBondContact O-CB 3.31Å; E147-K150 PolarHBondContact O-N 2.83Å; E147-K150 VanDerWaalsContact O-N 3.14Å; E147-K150 IonicContact OE1-NZ 2.95Å; E147-K150 WeakPolarHBondContact OE2-CD 3.05Å; E147-K150 IonicContact OE2-NZ 3.22Å; E147-K150 PolarHBondContact OE2-NZ 3.48Å; S148-K150 PolarHBondContact O-N 2.86Å
151	L	95.7	Very high	94.8	Very high	35 Å²	35	42.8 Å²	42.8	18%	0.183	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-52	174.2	176	61.6	0	0	0	111.6	E147 S148 K153 Q154 M155 L223 L224 P227	E147-L151 PolarHBondContact O-N 2.82Å; S148-L151 PolarHBondContact O-N 3.48Å; L151-K153 PolarHBondContact O-N 3.29Å; L151-Q154 WeakPolarHBondContact O-CB 3.46Å; L151-Q154 PolarHBondContact O-N 3.08Å; L151-M155 PolarHBondContact O-N 3.33Å; L151-L223 HydrophobicContact CD2-CD1 4.16Å; L151-L223 HydrophobicContact CD2-CD2 4.5Å; L151-L223 HydrophobicContact CD2-CG 3.9Å; L151-L224 HydrophobicContact CB-CD2 4.11Å; L151-L224 HydrophobicContact CD2-CD2 3.89Å; L151-P227 HydrophobicContact CD1-CB 4.26Å; L151-P227 HydrophobicContact CD2-CB 4.05Å
152	L	95.9	Very high	94.3	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-29.8	-176.4	-70.9	168.5	0	0	0	113.3	S148 Q154 M155 L223 V270 L273 L274 R305	S148-L152 VanDerWaalsContact O-CB 3.28Å; S148-L152 WeakPolarHBondContact O-CB 3.31Å; S148-L152 VanDerWaalsContact O-CG 3.24Å; S148-L152 WeakPolarHBondContact O-CG 3.37Å; S148-L152 PolarHBondContact O-N 2.89Å; L152-Q154 PolarHBondContact O-N 2.86Å; L152-M155 HydrophobicContact CD2-SD 3.82Å; L152-M155 PolarHBondContact O-N 3.01Å; L152-L223 HydrophobicContact CD2-CD2 3.9Å; L152-L223 HydrophobicContact CG-CD2 4.28Å; L152-V270 HydrophobicContact CD1-CG1 3.8Å; L152-L273 HydrophobicContact CB-CB 3.78Å; L152-L274 HydrophobicContact CD1-CD2 4.06Å; L152-L274 HydrophobicContact CD2-CD2 4Å; L152-R305 PolarHBondContact O-NH2 2.81Å
153	K	93.9	Very high	93.5	Very high	132 Å²	132	44.6 Å²	44.6	57%	0.574	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-29	170.7	-89.9	177	177.7	-173.8	0	113.8	K149 L151 L273	K149-K153 WeakPolarHBondContact O-CB 3.25Å; K149-K153 VanDerWaalsContact O-CG 3.26Å; K149-K153 WeakPolarHBondContact O-CG 3.43Å; K149-K153 PolarHBondContact O-N 3.23Å; L151-K153 PolarHBondContact O-N 3.29Å; K153-L273 HydrophobicContact CG-CD1 3.9Å; K153-L273 HydrophobicContact CG-CD2 4.02Å
154	Q	94.3	Very high	92.1	Very high	158 Å²	158	46 Å²	46	74%	0.738	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-16.7	-177.6	-61.6	177.6	-20.5	0	0	112.3	L151 L152	L151-Q154 WeakPolarHBondContact O-CB 3.46Å; L151-Q154 PolarHBondContact O-N 3.08Å; L152-Q154 PolarHBondContact O-N 2.86Å
155	M	94.6	Very high	90.2	Very high	29 Å²	29	56 Å²	56	14%	0.143	27%	0.27	C	S	.	.	S	Bend	trans	-77.6	145.4	-178.7	-63.3	-174.9	77.8	0	0	112.4	L151 L152 V159 L223 P275 R305	L151-M155 PolarHBondContact O-N 3.33Å; L152-M155 HydrophobicContact CD2-SD 3.82Å; L152-M155 PolarHBondContact O-N 3.01Å; M155-V159 HydrophobicContact CE-CG2 4.05Å; M155-L223 HydrophobicContact SD-CD1 4.39Å; M155-P275 HydrophobicContact CB-CG 4.36Å; M155-P275 HydrophobicContact CE-CG 4.19Å; M155-R305 PolarHBondContact O-NH1 3.48Å; M155-R305 PolarHBondContact O-NH2 3.03Å
156	P	95.8	Very high	88.3	Confident	74 Å²	74	57.3 Å²	57.3	48%	0.481	28%	0.278	S	S	.	.			trans	-68.6	167.7	173.9	31.4	-37.4	0	0	0	112.2	I158	P156-I158 VanDerWaalsContact C-N 3.33Å; P156-I158 WeakPolarHBondContact CB-O 3.43Å; P156-I158 VanDerWaalsContact CG-O 3.24Å; P156-I158 WeakPolarHBondContact CG-O 3.49Å
157	N	95	Very high	86.2	Confident	8 Å²	8	64.3 Å²	64.3	4%	0.043	31%	0.309	C	S	.	.	S	Bend	trans	-68.2	-35.3	172.5	-69	-3.4	0	0	0	112.4	I276 A277 L300 S301 I303 R305	N157-I276 HydrophobicContact CB-CD1 4.33Å; N157-I276 HydrophobicContact CB-CG1 4.21Å; N157-I276 WeakPolarHBondContact O-CG1 3.23Å; N157-I276 PolarHBondContact O-N 3.32Å; N157-A277 PolarHBondContact O-N 3.2Å; N157-L300 VanDerWaalsContact CB-O 3.29Å; N157-L300 WeakPolarHBondContact CB-O 3.26Å; N157-L300 PolarHBondContact ND2-O 2.82Å; N157-S301 PolarHBondContact ND2-O 3.27Å; N157-I303 PolarHBondContact ND2-N 2.9Å; N157-I303 PolarHBondContact ND2-O 3.33Å; N157-I303 PolarHBondContact OD1-O 2.87Å; N157-R305 WeakPolarHBondContact OD1-CD 3.3Å; N157-R305 WeakPolarHBondContact OD1-CG 3.28Å; N157-R305 PolarHBondContact OD1-NH1 3.31Å
158	I	96.5	Very high	84.3	Confident	8 Å²	8	65 Å²	65	4%	0.041	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.4	177.5	-51.8	-176.2	0	0	0	107.1	P156 H160 A277 V279 L297 L300	P156-I158 VanDerWaalsContact C-N 3.33Å; P156-I158 WeakPolarHBondContact CB-O 3.43Å; P156-I158 VanDerWaalsContact CG-O 3.24Å; P156-I158 WeakPolarHBondContact CG-O 3.49Å; I158-H160 PolarHBondContact O-CD2 2.63Å; I158-A277 WeakPolarHBondContact CA-O 3.33Å; I158-A277 HydrophobicContact CG1-CB 4.28Å; I158-A277 HydrophobicContact CG2-CB 4.25Å; I158-V279 HydrophobicContact CG2-CB 4.42Å; I158-V279 HydrophobicContact CG2-CG2 3.72Å; I158-L297 HydrophobicContact CD1-CB 4.29Å; I158-L297 WeakPolarHBondContact CD1-O 3.3Å; I158-L300 HydrophobicContact CD1-CB 4.19Å
159	V	95.4	Very high	82.7	Confident	11 Å²	11	68 Å²	68	7%	0.067	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	131.2	174.7	-179.2	0	0	0	0	108.7	M155 L161 P275 A277 T278 V279	M155-V159 HydrophobicContact CE-CG2 4.05Å; V159-L161 HydrophobicContact CG1-CD2 3.71Å; V159-L161 HydrophobicContact CG1-CG 4.07Å; V159-P275 HydrophobicContact CG2-CB 3.8Å; V159-P275 HydrophobicContact CG2-CG 3.71Å; V159-A277 PolarHBondContact N-O 2.83Å; V159-T278 HydrophobicContact CB-CG2 4.36Å; V159-T278 CarbonylContact O-C 3.14Å; V159-T278 VanDerWaalsContact O-CA 3.3Å; V159-T278 WeakPolarHBondContact O-CA 3.28Å; V159-V279 PolarHBondContact O-N 3.33Å
160	H	93.9	Very high	81.6	Confident	134 Å²	134	66.3 Å²	66.3	62%	0.62	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.3	176.6	-72.7	-96.9	0	0	0	110.1	I158 V279	I158-H160 PolarHBondContact O-CD2 2.63Å; H160-V279 WeakPolarHBondContact CA-O 3.5Å
161	L	90.6	Very high	80.9	Confident	35 Å²	35	61.3 Å²	61.3	18%	0.183	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	155.7	-176.7	-55.7	177	0	0	0	110.4	V159 I200 H231 T278 V279 I280 D281	V159-L161 HydrophobicContact CG1-CD2 3.71Å; V159-L161 HydrophobicContact CG1-CG 4.07Å; L161-I200 HydrophobicContact CD1-CD1 3.73Å; L161-I200 HydrophobicContact CD1-CG1 4.15Å; L161-H231 VanDerWaalsContact CD1-CD2 3.49Å; L161-H231 WeakPolarHBondContact CD1-CD2 3.4Å; L161-H231 WeakPolarHBondContact CD2-NE2 3.45Å; L161-T278 HydrophobicContact CD1-CG2 3.54Å; L161-T278 HydrophobicContact CG-CG2 3.99Å; L161-V279 PolarHBondContact N-O 2.76Å; L161-I280 HydrophobicContact CB-CG1 4.46Å; L161-D281 PolarHBondContact O-N 2.91Å
162	S	85.4	Confident	80.2	Confident	44 Å²	44	59.7 Å²	59.7	31%	0.308	29%	0.291	S	S	.	.			trans	-138.5	128.8	173.4	-179.1	0	0	0	0	112	S164 D281	S162-S164 PolarHBondContact O-N 3.02Å; S162-S164 WeakPolarHBondContact OG-CB 3.4Å; S162-S164 PolarHBondContact OG-N 2.82Å; S162-S164 PolarHBondContact OG-OG 3.17Å; S162-D281 WeakPolarHBondContact CA-OD1 3.31Å; S162-D281 WeakPolarHBondContact CB-OD1 3.23Å; S162-D281 PolarHBondContact OG-OD1 3.27Å
163	T	76.9	Confident	79.4	Confident	6 Å²	6	59.7 Å²	59.7	4%	0.037	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-0.4	174.9	62.2	0	0	0	0	113	I280 D281 K514 L516	T163-I280 HydrophobicContact CG2-CG2 3.87Å; T163-D281 WeakPolarHBondContact CB-OD2 3.35Å; T163-D281 WeakPolarHBondContact CG2-OD2 3.48Å; T163-D281 PolarHBondContact N-OD1 3.45Å; T163-D281 PolarHBondContact N-OD2 2.62Å; T163-D281 PolarHBondContact OG1-OD2 3.5Å; T163-K514 WeakPolarHBondContact O-CD 3.4Å; T163-K514 WeakPolarHBondContact O-CE 3.19Å; T163-K514 WeakPolarHBondContact O-CG 3.24Å; T163-K514 PolarHBondContact O-NZ 3.15Å; T163-L516 HydrophobicContact CG2-CD2 4.17Å
164	S	64.8	Low	79.3	Confident	61 Å²	61	53.4 Å²	53.4	43%	0.427	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-40.5	179.2	62.8	0	0	0	0	112.6	S162 K514	S162-S164 PolarHBondContact O-N 3.02Å; S162-S164 WeakPolarHBondContact OG-CB 3.4Å; S162-S164 PolarHBondContact OG-N 2.82Å; S162-S164 PolarHBondContact OG-OG 3.17Å; S164-K514 PolarHBondContact O-NZ 3.38Å
165	Y	57.3	Low	79.3	Confident	210 Å²	210	45.9 Å²	45.9	82%	0.824	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-38.6	-174.3	-59.7	-76	0	0	0	114.4
166	T	54.5	Low	79.4	Confident	27 Å²	27	44.5 Å²	44.5	17%	0.166	22%	0.222	C	C	.	.			trans	-66.3	159.2	170.3	53.7	0	0	0	0	109.9	E168 K514	T166-E168 WeakPolarHBondContact CB-OE2 3.38Å; T166-K514 WeakPolarHBondContact O-CE 3.17Å; T166-K514 PolarHBondContact O-NZ 3.13Å
167	K	50.3	Low	79.3	Confident	185 Å²	185	41.3 Å²	41.3	80%	0.804	20%	0.2	S	C	*	.	S	Bend	trans	-87.7	-16	162.8	-73.5	178.5	177.7	174.6	0	111.9
168	E	54.6	Low	79.1	Confident	55 Å²	55	41 Å²	41	26%	0.257	20%	0.2	S	C	.	.	S	Bend	trans	-109.3	-169.4	-152.6	-55.2	90.8	174.4	0	0	114.3	T166 E196	T166-E168 WeakPolarHBondContact CB-OE2 3.38Å; E168-E196 WeakPolarHBondContact CB-O 3.39Å; E168-E196 HydrophobicContact CG-CB 4.38Å; E168-E196 WeakPolarHBondContact CG-O 3.38Å
169	I	61.9	Low	78.9	Confident	64 Å²	64	43.1 Å²	43.1	33%	0.328	21%	0.207	S	C	.	.			trans	-110.2	111.4	-163.8	-58.6	174.8	0	0	0	108.4	I171 K511 L512	I169-I171 PolarHBondContact O-N 3.2Å; I169-K511 HydrophobicContact CG2-CB 3.36Å; I169-K511 HydrophobicContact CG2-CD 3.93Å; I169-K511 HydrophobicContact CG2-CG 3.48Å; I169-K511 VanDerWaalsContact CG2-CG 3.48Å; I169-L512 CarbonylContact C-O 3.57Å; I169-L512 VanDerWaalsContact CA-O 3.28Å; I169-L512 WeakPolarHBondContact CA-O 3.11Å
170	T	71.5	Confident	78.7	Confident	9 Å²	9	42.7 Å²	42.7	6%	0.055	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	128.3	174.9	-51.6	0	0	0	0	110.2	I200 I280 L512	T170-I200 HydrophobicContact CG2-CD1 3.65Å; T170-I200 HydrophobicContact CG2-CG1 3.9Å; T170-I280 HydrophobicContact CG2-CD1 4.38Å; T170-L512 PolarHBondContact N-O 3.47Å; T170-L512 PolarHBondContact O-N 3.32Å
171	I	80.5	Confident	78.5	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	110.6	-178	-62.2	156.8	0	0	0	109.5	I169 N190 P198 Y199 I200 Y509 I510 K511	I169-I171 PolarHBondContact O-N 3.2Å; I171-N190 HydrophobicContact CD1-CB 3.71Å; I171-P198 PolarHBondContact N-O 2.92Å; I171-Y199 HydrophobicContact CB-CD1 3.78Å; I171-Y199 HydrophobicContact CB-CE1 3.82Å; I171-Y199 HydrophobicContact CB-CG 4.34Å; I171-Y199 HydrophobicContact CD1-CD1 4.44Å; I171-Y199 HydrophobicContact CD1-CD2 4.46Å; I171-Y199 HydrophobicContact CD1-CE1 3.86Å; I171-Y199 HydrophobicContact CD1-CE2 3.87Å; I171-Y199 HydrophobicContact CG1-CE1 4.46Å; I171-Y199 HydrophobicContact CG2-CD1 3.75Å; I171-Y199 HydrophobicContact CG2-CE1 3.51Å; I171-Y199 WeakPolarHBondContact O-CA 3.3Å; I171-I200 PolarHBondContact O-N 3.26Å; I171-Y509 HydrophobicContact CG2-CD2 3.94Å; I171-Y509 HydrophobicContact CG2-CG 4.14Å; I171-I510 CarbonylContact C-O 3.58Å; I171-I510 WeakPolarHBondContact CA-O 3.47Å; I171-K511 HydrophobicContact CG1-CG 3.98Å
172	C	79.9	Confident	78.6	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114.9	175	-52.5	0	0	0	0	110	I200 Y509 I510	C172-I200 WeakPolarHBondContact CA-O 3.44Å; C172-Y509 WeakPolarHBondContact O-CA 3.32Å; C172-Y509 WeakPolarHBondContact O-CB 3.23Å; C172-I510 HydrophobicContact CB-CB 4.28Å; C172-I510 PolarHBondContact N-O 3.36Å; C172-I510 PolarHBondContact O-N 2.84Å
173	A	80.4	Confident	78.9	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	145.2	171.7	0	0	0	0	0	110.2	I186 I200 F201 N202	A173-I186 HydrophobicContact CB-CD1 4.32Å; A173-I200 PolarHBondContact N-O 3.23Å; A173-F201 HydrophobicContact CB-CD1 3.55Å; A173-F201 HydrophobicContact CB-CE1 3.61Å; A173-F201 HydrophobicContact CB-CG 4.32Å; A173-F201 HydrophobicContact CB-CZ 4.44Å; A173-N202 WeakPolarHBondContact O-CB 3.27Å; A173-N202 PolarHBondContact O-N 2.55Å
174	G	90.3	Very high	79.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.173	C	C	.	.			trans	-95.4	-154.7	172.5	0	0	0	0	0	111.9	S474 S495	G174-S474 WeakPolarHBondContact CA-OG 3.33Å; G174-S495 PolarHBondContact N-OG 2.82Å
175	D	96.3	Very high	80.6	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-51.3	137.7	-174.1	-42.8	-24.2	0	0	0	112.5	D204 H288 S474 H475 F494 S495 A496	D175-D204 HydrophobicContact CB-CB 3.81Å; D175-H288 IonicContact OD1-CE1 3.8Å; D175-H288 PolarHBondContact OD1-CE1 2.88Å; D175-H288 IonicContact OD1-ND1 2.84Å; D175-H288 PolarHBondContact OD1-ND1 3.18Å; D175-S474 WeakPolarHBondContact OD1-CB 3.42Å; D175-H475 PolarHBondContact OD1-N 2.56Å; D175-H475 VanDerWaalsContact OD1-N 3.12Å; D175-H475 VanDerWaalsContact OD2-CA 3.28Å; D175-H475 WeakPolarHBondContact OD2-CA 3.38Å; D175-H475 PolarHBondContact OD2-N 3.29Å; D175-F494 HydrophobicContact CB-CD2 3.85Å; D175-F494 HydrophobicContact CB-CE2 3.69Å; D175-F494 WeakPolarHBondContact OD2-CD2 3.36Å; D175-F494 WeakPolarHBondContact OD2-CE2 3.49Å; D175-S495 CarbonylContact O-C 3.42Å; D175-S495 VanDerWaalsContact O-C 3.28Å; D175-S495 WeakPolarHBondContact O-CA 3.46Å; D175-S495 WeakPolarHBondContact O-CB 3.46Å; D175-S495 PolarHBondContact O-N 2.84Å; D175-A496 PolarHBondContact O-N 3.25Å
176	L	94.7	Very high	82	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.118	C	C	.	.			trans	-117.4	-25.3	179.7	-75	174.5	0	0	0	113.8	G178 R179 L183 I186 F201 D204 V215 L219	L176-G178 VanDerWaalsContact C-N 3.34Å; L176-G178 PolarHBondContact O-N 2.9Å; L176-G178 VanDerWaalsContact O-N 3.13Å; L176-R179 WeakPolarHBondContact O-CB 3.39Å; L176-R179 WeakPolarHBondContact O-CG 3.48Å; L176-R179 PolarHBondContact O-N 3.45Å; L176-L183 HydrophobicContact CD1-CB 4.38Å; L176-L183 HydrophobicContact CD1-CD1 4Å; L176-I186 HydrophobicContact CD2-CD1 4.07Å; L176-F201 HydrophobicContact CD1-CD1 3.68Å; L176-F201 HydrophobicContact CD1-CE1 3.82Å; L176-F201 HydrophobicContact CG-CD1 4.47Å; L176-D204 PolarHBondContact N-O 3.35Å; L176-V215 HydrophobicContact CB-CG1 4.28Å; L176-V215 HydrophobicContact CD1-CG1 4.02Å; L176-L219 HydrophobicContact CD1-CD1 4.22Å
177	H	94.4	Very high	83.5	Confident	7 Å²	7	23.3 Å²	23.3	3%	0.032	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.6	54.7	174.1	-70.4	-49.6	0	0	0	114.8	R179 D204 V206 D207 R208 G209 H237 Y499	H177-R179 PolarHBondContact O-N 3.14Å; H177-R179 VanDerWaalsContact O-N 3.13Å; H177-D204 IonicContact CE1-OD2 2.73Å; H177-D204 PolarHBondContact CE1-OD2 3.33Å; H177-D204 PolarHBondContact N-O 3.24Å; H177-D204 IonicContact NE2-OD2 3.21Å; H177-V206 PolarHBondContact ND1-O 3.36Å; H177-V206 VanDerWaalsContact ND1-O 3.1Å; H177-D207 CarbonylContact C-O 3.37Å; H177-D207 VanDerWaalsContact CA-O 3.3Å; H177-D207 WeakPolarHBondContact CA-O 3.39Å; H177-D207 WeakPolarHBondContact CB-O 3.21Å; H177-R208 HydrophobicContact CB-CB 4.15Å; H177-R208 HydrophobicContact CB-CG 4.26Å; H177-G209 WeakPolarHBondContact O-CA 3.36Å; H177-G209 PolarHBondContact O-N 2.98Å; H177-G209 VanDerWaalsContact O-N 3.14Å; H177-H237 AromaticContact CE1-CD2 3.63Å; H177-Y499 HydrophobicContact CB-CD2 4.42Å; H177-Y499 HydrophobicContact CB-CE2 3.97Å; H177-Y499 AromaticContact CD2-CD2 3.95Å; H177-Y499 AromaticContact CD2-CE2 3.26Å; H177-Y499 WeakPolarHBondContact CD2-CE2 3.1Å; H177-Y499 AromaticContact CD2-CZ 3.81Å; H177-Y499 AromaticContact CG-CE2 3.8Å
178	G	92.1	Very high	85	Confident	3 Å²	3	20.7 Å²	20.7	3%	0.031	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	25.7	179.4	0	0	0	0	0	115.7	L176 L180 F205 K211	L176-G178 VanDerWaalsContact C-N 3.34Å; L176-G178 PolarHBondContact O-N 2.9Å; L176-G178 VanDerWaalsContact O-N 3.13Å; G178-L180 PolarHBondContact O-N 3.11Å; G178-F205 PolarHBondContact N-O 3.18Å; G178-K211 WeakPolarHBondContact O-CB 3.48Å; G178-K211 PolarHBondContact O-N 3.48Å
179	R	90.6	Very high	86.1	Confident	51 Å²	51	22.5 Å²	22.5	19%	0.192	10%	0.104	C	C	.	.			trans	-91.2	72.6	174.2	-57.8	-62.2	173.8	109.4	-5.7	111.9	L176 H177 D181 D182 L183 A496 S497 N498 Y499	L176-R179 WeakPolarHBondContact O-CB 3.39Å; L176-R179 WeakPolarHBondContact O-CG 3.48Å; L176-R179 PolarHBondContact O-N 3.45Å; H177-R179 PolarHBondContact O-N 3.14Å; H177-R179 VanDerWaalsContact O-N 3.13Å; R179-D181 PolarHBondContact O-N 2.79Å; R179-D181 VanDerWaalsContact O-N 3.15Å; R179-D182 HydrophobicContact CB-CB 4.04Å; R179-D182 VanDerWaalsContact CB-OD2 3.23Å; R179-D182 WeakPolarHBondContact CB-OD2 3.31Å; R179-D182 WeakPolarHBondContact O-CB 3.34Å; R179-D182 PolarHBondContact O-N 3.05Å; R179-L183 PolarHBondContact O-N 3.3Å; R179-A496 HydrophobicContact CG-CB 3.95Å; R179-S497 PolarHBondContact NH1-O 3.37Å; R179-S497 VanDerWaalsContact NH1-O 3.1Å; R179-N498 PolarHBondContact NH1-O 2.99Å; R179-Y499 PolarHBondContact NH2-O 3.29Å
180	L	92.8	Very high	86.9	Confident	3 Å²	3	20.3 Å²	20.3	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-52.4	-37.5	174.8	-176.3	67.5	0	0	0	112.8	F130 G178 D182 L183 V184 K211 E214 V215 L218	F130-L180 HydrophobicContact CB-CD2 3.85Å; F130-L180 WeakPolarHBondContact O-CD2 3.1Å; G178-L180 PolarHBondContact O-N 3.11Å; L180-D182 PolarHBondContact O-N 3.35Å; L180-L183 HydrophobicContact CD1-CD2 4.39Å; L180-L183 PolarHBondContact O-N 2.96Å; L180-V184 HydrophobicContact CD1-CG2 4.14Å; L180-V184 HydrophobicContact CG-CG2 4.1Å; L180-V184 WeakPolarHBondContact O-CB 3.18Å; L180-V184 VanDerWaalsContact O-CG2 3.29Å; L180-V184 WeakPolarHBondContact O-CG2 2.98Å; L180-V184 PolarHBondContact O-N 3.08Å; L180-K211 HydrophobicContact CB-CB 3.85Å; L180-K211 HydrophobicContact CB-CD 3.54Å; L180-K211 HydrophobicContact CB-CG 4.39Å; L180-K211 HydrophobicContact CD2-CD 3.87Å; L180-K211 HydrophobicContact CG-CD 4.33Å; L180-E214 HydrophobicContact CD1-CB 4.29Å; L180-E214 HydrophobicContact CD2-CB 3.99Å; L180-V215 HydrophobicContact CB-CG2 4.03Å; L180-V215 HydrophobicContact CD1-CG2 4.34Å; L180-L218 HydrophobicContact CD1-CD1 3.57Å
181	D	89.4	Confident	87.3	Confident	48 Å²	48	21.4 Å²	21.4	26%	0.257	11%	0.106	S	C	.	.	H	α-helix	trans	-60	-33.9	179.6	-55.9	4.6	0	0	0	111.8	R179 L185 K211 V525 R530	R179-D181 PolarHBondContact O-N 2.79Å; R179-D181 VanDerWaalsContact O-N 3.15Å; D181-L185 WeakPolarHBondContact O-CB 3.4Å; D181-L185 PolarHBondContact O-N 2.92Å; D181-K211 IonicContact OD1-NZ 3.18Å; D181-K211 PolarHBondContact OD1-NZ 2.86Å; D181-V525 HydrophobicContact CB-CG1 4.16Å; D181-V525 HydrophobicContact CB-CG2 4.38Å; D181-R530 IonicContact OD2-NE 3.41Å; D181-R530 PolarHBondContact OD2-NE 3.19Å; D181-R530 VanDerWaalsContact OD2-NE 3.07Å
182	D	91.6	Very high	87.5	Confident	3 Å²	3	24.4 Å²	24.4	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-76.1	-46.7	175	-71.6	-54.1	0	0	0	111	R179 L180 V184 L185 I186 S497 Y523 V525	R179-D182 HydrophobicContact CB-CB 4.04Å; R179-D182 VanDerWaalsContact CB-OD2 3.23Å; R179-D182 WeakPolarHBondContact CB-OD2 3.31Å; R179-D182 WeakPolarHBondContact O-CB 3.34Å; R179-D182 PolarHBondContact O-N 3.05Å; L180-D182 PolarHBondContact O-N 3.35Å; D182-V184 VanDerWaalsContact C-N 3.32Å; D182-V184 PolarHBondContact O-N 3.09Å; D182-L185 CarbonylContact O-C 3.6Å; D182-L185 WeakPolarHBondContact O-CA 3.18Å; D182-L185 WeakPolarHBondContact O-CB 2.89Å; D182-L185 PolarHBondContact O-N 3.35Å; D182-I186 WeakPolarHBondContact O-CG1 3.1Å; D182-I186 PolarHBondContact O-N 2.93Å; D182-S497 VanDerWaalsContact OD1-CB 3.23Å; D182-S497 WeakPolarHBondContact OD1-CB 3.23Å; D182-S497 PolarHBondContact OD1-OG 2.71Å; D182-S497 PolarHBondContact OD2-N 3.43Å; D182-Y523 HydrophobicContact CB-CE2 4.05Å; D182-Y523 WeakPolarHBondContact OD1-CE2 3.48Å; D182-V525 WeakPolarHBondContact OD1-CG2 3.25Å
183	L	93.1	Very high	87.8	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-55.3	-45.9	176.4	178.2	61.2	0	0	0	112.1	L176 R179 L180 L185 I186 F187 F201 V215 L218 L219	L176-L183 HydrophobicContact CD1-CB 4.38Å; L176-L183 HydrophobicContact CD1-CD1 4Å; R179-L183 PolarHBondContact O-N 3.3Å; L180-L183 HydrophobicContact CD1-CD2 4.39Å; L180-L183 PolarHBondContact O-N 2.96Å; L183-L185 VanDerWaalsContact C-N 3.27Å; L183-L185 PolarHBondContact O-N 3.44Å; L183-I186 PolarHBondContact O-N 3.34Å; L183-F187 HydrophobicContact CD1-CD2 4.35Å; L183-F187 HydrophobicContact CD1-CE1 3.96Å; L183-F187 HydrophobicContact CD1-CE2 3.74Å; L183-F187 HydrophobicContact CD1-CZ 3.52Å; L183-F187 HydrophobicContact CD2-CE2 4.25Å; L183-F187 HydrophobicContact CG-CD2 4.26Å; L183-F187 HydrophobicContact CG-CE2 3.78Å; L183-F187 HydrophobicContact CG-CZ 4.1Å; L183-F187 PolarHBondContact O-N 3.13Å; L183-F201 HydrophobicContact CD1-CE1 3.6Å; L183-F201 HydrophobicContact CD1-CZ 3.62Å; L183-V215 HydrophobicContact CD2-CB 4.47Å; L183-V215 HydrophobicContact CD2-CG1 4.26Å; L183-V215 HydrophobicContact CD2-CG2 4.28Å; L183-L218 HydrophobicContact CD2-CB 4.39Å; L183-L218 HydrophobicContact CD2-CD1 4.4Å; L183-L219 HydrophobicContact CD1-CD2 4.11Å; L183-L219 HydrophobicContact CD2-CD2 4.37Å; L183-L219 HydrophobicContact CD2-CG 4.44Å
184	V	88.8	Confident	88.1	Confident	35 Å²	35	25.3 Å²	25.3	21%	0.212	13%	0.128	C	C	.	.	H	α-helix	trans	-62.6	-34	175.7	170.9	0	0	0	0	111.6	L127 K131 L180 D182 Y188	L127-V184 HydrophobicContact CD1-CG2 4.03Å; K131-V184 HydrophobicContact CG-CG2 4.39Å; L180-V184 HydrophobicContact CD1-CG2 4.14Å; L180-V184 HydrophobicContact CG-CG2 4.1Å; L180-V184 WeakPolarHBondContact O-CB 3.18Å; L180-V184 VanDerWaalsContact O-CG2 3.29Å; L180-V184 WeakPolarHBondContact O-CG2 2.98Å; L180-V184 PolarHBondContact O-N 3.08Å; D182-V184 VanDerWaalsContact C-N 3.32Å; D182-V184 PolarHBondContact O-N 3.09Å; V184-Y188 VanDerWaalsContact O-CB 3.25Å; V184-Y188 WeakPolarHBondContact O-CB 3.47Å; V184-Y188 PolarHBondContact O-N 3.46Å
185	L	86.8	Confident	87.7	Confident	16 Å²	16	27.2 Å²	27.2	8%	0.084	14%	0.144	C	C	.	.	H	α-helix	trans	-74.9	-34.1	176.8	-177.6	59.2	0	0	0	112.7	D181 D182 L183 Y188 K189 Y523 V525	D181-L185 WeakPolarHBondContact O-CB 3.4Å; D181-L185 PolarHBondContact O-N 2.92Å; D182-L185 CarbonylContact O-C 3.6Å; D182-L185 WeakPolarHBondContact O-CA 3.18Å; D182-L185 WeakPolarHBondContact O-CB 2.89Å; D182-L185 PolarHBondContact O-N 3.35Å; L183-L185 VanDerWaalsContact C-N 3.27Å; L183-L185 PolarHBondContact O-N 3.44Å; L185-Y188 HydrophobicContact CD1-CD1 4.28Å; L185-K189 HydrophobicContact CD1-CG 4.36Å; L185-K189 WeakPolarHBondContact O-CB 3.29Å; L185-K189 WeakPolarHBondContact O-CG 3.25Å; L185-K189 PolarHBondContact O-N 2.88Å; L185-Y523 HydrophobicContact CD2-CD2 3.88Å; L185-Y523 HydrophobicContact CD2-CG 4.26Å; L185-V525 HydrophobicContact CB-CG2 4.48Å; L185-V525 HydrophobicContact CD2-CG2 3.75Å
186	I	87.5	Confident	86.9	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-55.5	170.9	-63.1	169	0	0	0	109.1	A173 L176 D182 L183 Y188 K189 N190 Y199 F201 Y509 Y523	A173-I186 HydrophobicContact CB-CD1 4.32Å; L176-I186 HydrophobicContact CD2-CD1 4.07Å; D182-I186 WeakPolarHBondContact O-CG1 3.1Å; D182-I186 PolarHBondContact O-N 2.93Å; L183-I186 PolarHBondContact O-N 3.34Å; I186-Y188 PolarHBondContact O-N 3.11Å; I186-K189 PolarHBondContact O-N 3.24Å; I186-K189 VanDerWaalsContact O-N 3.13Å; I186-N190 WeakPolarHBondContact O-CB 3.35Å; I186-N190 PolarHBondContact O-N 3.13Å; I186-Y199 HydrophobicContact CG2-CE1 3.77Å; I186-F201 HydrophobicContact CD1-CE1 4.32Å; I186-Y509 HydrophobicContact CG1-CD1 4.11Å; I186-Y509 HydrophobicContact CG2-CD1 4.07Å; I186-Y509 HydrophobicContact CG2-CE1 4.4Å; I186-Y523 WeakPolarHBondContact CD1-OH 3.29Å; I186-Y523 HydrophobicContact CG1-CE1 4.07Å
187	F	86.4	Confident	86.5	Confident	7 Å²	7	33.7 Å²	33.7	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-59.2	-44.3	179.1	-66.7	-25.5	0	0	0	112.1	L183 K189 N190 G191 L192 P193 Y199 F201 Y222	L183-F187 HydrophobicContact CD1-CD2 4.35Å; L183-F187 HydrophobicContact CD1-CE1 3.96Å; L183-F187 HydrophobicContact CD1-CE2 3.74Å; L183-F187 HydrophobicContact CD1-CZ 3.52Å; L183-F187 HydrophobicContact CD2-CE2 4.25Å; L183-F187 HydrophobicContact CG-CD2 4.26Å; L183-F187 HydrophobicContact CG-CE2 3.78Å; L183-F187 HydrophobicContact CG-CZ 4.1Å; L183-F187 PolarHBondContact O-N 3.13Å; F187-K189 VanDerWaalsContact C-N 3.28Å; F187-K189 PolarHBondContact O-N 3.06Å; F187-N190 PolarHBondContact O-N 2.98Å; F187-G191 CarbonylContact C-O 3.57Å; F187-G191 WeakPolarHBondContact CA-O 3.38Å; F187-G191 CarbonylContact O-C 3.56Å; F187-G191 VanDerWaalsContact O-C 3.3Å; F187-G191 PolarHBondContact O-N 3.24Å; F187-L192 HydrophobicContact CB-CD2 3.99Å; F187-L192 HydrophobicContact CD2-CD2 4.18Å; F187-L192 HydrophobicContact CG-CD2 4.23Å; F187-P193 HydrophobicContact CD1-CG 4.23Å; F187-P193 HydrophobicContact CE1-CG 3.51Å; F187-P193 HydrophobicContact CZ-CG 3.84Å; F187-Y199 HydrophobicContact CD1-CE1 4.22Å; F187-Y199 HydrophobicContact CD1-CE2 4.35Å; F187-Y199 AromaticContact CD1-CZ 3.84Å; F187-Y199 HydrophobicContact CE1-CE1 4.19Å; F187-Y199 HydrophobicContact CE1-CE2 4.39Å; F187-F201 HydrophobicContact CE1-CE2 4.26Å; F187-F201 AromaticContact CE1-CZ 3.88Å; F187-F201 HydrophobicContact CE1-CZ 3.88Å; F187-F201 HydrophobicContact CZ-CZ 4.29Å; F187-Y222 HydrophobicContact CE2-CD2 4.24Å; F187-Y222 AromaticContact CE2-CE2 3.85Å; F187-Y222 HydrophobicContact CE2-CE2 3.85Å; F187-Y222 HydrophobicContact CZ-CD2 4.09Å; F187-Y222 HydrophobicContact CZ-CE2 4.14Å
188	Y	80.4	Confident	86.3	Confident	130 Å²	130	33.6 Å²	33.6	51%	0.51	18%	0.176	S	C	.	.	H	α-helix	trans	-58.7	-36.7	175.7	172.8	-87.7	0	0	0	113.2	V184 L185 I186 L534	V184-Y188 VanDerWaalsContact O-CB 3.25Å; V184-Y188 WeakPolarHBondContact O-CB 3.47Å; V184-Y188 PolarHBondContact O-N 3.46Å; L185-Y188 HydrophobicContact CD1-CD1 4.28Å; I186-Y188 PolarHBondContact O-N 3.11Å; Y188-L534 HydrophobicContact CE2-CD1 4.24Å; Y188-L534 VanDerWaalsContact OH-CD1 3.27Å; Y188-L534 WeakPolarHBondContact OH-CD1 3.47Å
189	K	78	Confident	86.4	Confident	93 Å²	93	33.5 Å²	33.5	40%	0.404	18%	0.175	S	C	.	.	H	α-helix	trans	-78.6	-17.6	-179.5	-83.2	-169	169	-158.2	0	114.4	L185 I186 F187 Y509 Q522	L185-K189 HydrophobicContact CD1-CG 4.36Å; L185-K189 WeakPolarHBondContact O-CB 3.29Å; L185-K189 WeakPolarHBondContact O-CG 3.25Å; L185-K189 PolarHBondContact O-N 2.88Å; I186-K189 PolarHBondContact O-N 3.24Å; I186-K189 VanDerWaalsContact O-N 3.13Å; F187-K189 VanDerWaalsContact C-N 3.28Å; F187-K189 PolarHBondContact O-N 3.06Å; K189-Y509 HydrophobicContact CD-CE1 4.39Å; K189-Q522 PolarHBondContact NZ-O 2.84Å
190	N	78.8	Confident	86.7	Confident	19 Å²	19	31 Å²	31	10%	0.102	17%	0.165	C	C	.	.	H	α-helix	trans	-129.3	-22.2	-162.9	-76.1	-23.9	0	0	0	115.2	I171 I186 F187 Y199 Y509 K511	I171-N190 HydrophobicContact CD1-CB 3.71Å; I186-N190 WeakPolarHBondContact O-CB 3.35Å; I186-N190 PolarHBondContact O-N 3.13Å; F187-N190 PolarHBondContact O-N 2.98Å; N190-Y199 WeakPolarHBondContact CB-OH 3.48Å; N190-Y509 WeakPolarHBondContact ND2-CE2 3.49Å; N190-Y509 WeakPolarHBondContact OD1-CE2 3.26Å; N190-Y509 VanDerWaalsContact OD1-CZ 3.3Å; N190-Y509 PolarHBondContact OD1-OH 2.7Å; N190-K511 WeakPolarHBondContact OD1-CE 3.34Å; N190-K511 PolarHBondContact OD1-NZ 3.04Å
191	G	80.2	Confident	87	Confident	31 Å²	31	30.9 Å²	30.9	32%	0.32	17%	0.165	S	C	.	.			trans	112.4	153.9	-160.7	0	0	0	0	0	111.3	F187 Y199	F187-G191 CarbonylContact C-O 3.57Å; F187-G191 WeakPolarHBondContact CA-O 3.38Å; F187-G191 CarbonylContact O-C 3.56Å; F187-G191 VanDerWaalsContact O-C 3.3Å; F187-G191 PolarHBondContact O-N 3.24Å; G191-Y199 PolarHBondContact O-OH 2.94Å
192	L	84.5	Confident	87.4	Confident	65 Å²	65	28.7 Å²	28.7	34%	0.34	15%	0.153	S	C	.	.	S	Bend	trans	-76.4	147.7	163.5	-64.1	168.6	0	0	0	108	N124 L127 F187 S194 T197	N124-L192 WeakPolarHBondContact OD1-CD1 3.33Å; L127-L192 HydrophobicContact CD2-CD2 3.48Å; L127-L192 VanDerWaalsContact CD2-CD2 3.48Å; F187-L192 HydrophobicContact CB-CD2 3.99Å; F187-L192 HydrophobicContact CD2-CD2 4.18Å; F187-L192 HydrophobicContact CG-CD2 4.23Å; L192-S194 PolarHBondContact O-N 2.97Å; L192-T197 PolarHBondContact O-OG1 2.67Å
193	P	87.2	Confident	87.6	Confident	3 Å²	3	28.5 Å²	28.5	2%	0.019	15%	0.152	C	C	.	.	S	Bend	trans	-49.2	134	178.2	-26.4	34.5	0	0	0	111.6	F187 Y199 Y222 Y226 M230	F187-P193 HydrophobicContact CD1-CG 4.23Å; F187-P193 HydrophobicContact CE1-CG 3.51Å; F187-P193 HydrophobicContact CZ-CG 3.84Å; P193-Y199 HydrophobicContact CB-CD2 3.88Å; P193-Y199 HydrophobicContact CB-CE2 4.33Å; P193-Y199 HydrophobicContact CG-CD2 3.71Å; P193-Y199 HydrophobicContact CG-CE2 3.94Å; P193-Y199 HydrophobicContact CG-CG 4.4Å; P193-Y222 HydrophobicContact CB-CD1 3.93Å; P193-Y222 HydrophobicContact CB-CG 4.09Å; P193-Y222 HydrophobicContact CG-CD1 3.95Å; P193-Y222 HydrophobicContact CG-CD2 4.09Å; P193-Y222 HydrophobicContact CG-CE1 4.44Å; P193-Y222 HydrophobicContact CG-CG 3.78Å; P193-Y226 HydrophobicContact CB-CD2 4.43Å; P193-Y226 WeakPolarHBondContact O-CD2 3.33Å; P193-Y226 WeakPolarHBondContact O-CE2 3.49Å; P193-M230 HydrophobicContact CB-SD 4.03Å; P193-M230 HydrophobicContact CG-SD 3.9Å
194	S	85.6	Confident	87.8	Confident	18 Å²	18	28.7 Å²	28.7	13%	0.126	15%	0.153	C	C	.	.	S	Bend	trans	-158.5	-177.6	-177.5	77.2	0	0	0	0	109.9	L192 E196 T197	L192-S194 PolarHBondContact O-N 2.97Å; S194-E196 VanDerWaalsContact C-N 3.28Å; S194-E196 WeakPolarHBondContact CB-OE2 3.5Å; S194-E196 PolarHBondContact O-N 3.01Å; S194-E196 PolarHBondContact OG-N 2.87Å; S194-E196 PolarHBondContact OG-OE2 3.01Å; S194-T197 PolarHBondContact N-O 3.38Å; S194-T197 PolarHBondContact N-OG1 3.22Å; S194-T197 CarbonylContact O-C 3.49Å; S194-T197 PolarHBondContact O-N 3.13Å; S194-T197 PolarHBondContact OG-N 2.89Å; S194-T197 PolarHBondContact OG-OG1 3.03Å
195	A	81.9	Confident	88.2	Confident	39 Å²	39	27.1 Å²	27.1	32%	0.322	14%	0.143	S	C	.	.	S	Bend	trans	-62.3	-39.8	171.7	0	0	0	0	0	111.5	T197 H229	A195-T197 VanDerWaalsContact C-N 3.31Å; A195-T197 PolarHBondContact O-N 2.69Å; A195-H229 PolarHBondContact O-CD2 2.86Å
196	E	80.6	Confident	88.7	Confident	109 Å²	109	26.3 Å²	26.3	51%	0.509	14%	0.139	S	C	.	.	S	Bend	trans	-77.6	-13.8	-179	-48.3	74.3	-165.7	0	0	112.9	E168 S194	E168-E196 WeakPolarHBondContact CB-O 3.39Å; E168-E196 HydrophobicContact CG-CB 4.38Å; E168-E196 WeakPolarHBondContact CG-O 3.38Å; S194-E196 VanDerWaalsContact C-N 3.28Å; S194-E196 WeakPolarHBondContact CB-OE2 3.5Å; S194-E196 PolarHBondContact O-N 3.01Å; S194-E196 PolarHBondContact OG-N 2.87Å; S194-E196 PolarHBondContact OG-OE2 3.01Å
197	T	85.5	Confident	88.7	Confident	27 Å²	27	26.3 Å²	26.3	17%	0.166	14%	0.139	C	C	.	.	S	Bend	trans	-135.2	75.6	179.9	54.6	0	0	0	0	111.4	L192 S194 A195 Y199	L192-T197 PolarHBondContact O-OG1 2.67Å; S194-T197 PolarHBondContact N-O 3.38Å; S194-T197 PolarHBondContact N-OG1 3.22Å; S194-T197 CarbonylContact O-C 3.49Å; S194-T197 PolarHBondContact O-N 3.13Å; S194-T197 PolarHBondContact OG-N 2.89Å; S194-T197 PolarHBondContact OG-OG1 3.03Å; A195-T197 VanDerWaalsContact C-N 3.31Å; A195-T197 PolarHBondContact O-N 2.69Å; T197-Y199 WeakPolarHBondContact O-CD2 3.34Å
198	P	90.9	Very high	88.6	Confident	6 Å²	6	28.9 Å²	28.9	4%	0.039	15%	0.148	C	C	.	.			trans	-72.3	141.4	178.7	26.8	-32	0	0	0	112.5	I171 H229	I171-P198 PolarHBondContact N-O 2.92Å; P198-H229 CarbonylContact C-O 3.56Å; P198-H229 WeakPolarHBondContact CA-O 3.26Å; P198-H229 HydrophobicContact CB-CB 4.16Å; P198-H229 WeakPolarHBondContact CB-O 3.36Å
199	Y	94.7	Very high	88.6	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143	-173.8	-86	-90	0	0	0	112.3	I171 I186 F187 N190 G191 P193 T197 F201 H229 M230 H231	I171-Y199 HydrophobicContact CB-CD1 3.78Å; I171-Y199 HydrophobicContact CB-CE1 3.82Å; I171-Y199 HydrophobicContact CB-CG 4.34Å; I171-Y199 HydrophobicContact CD1-CD1 4.44Å; I171-Y199 HydrophobicContact CD1-CD2 4.46Å; I171-Y199 HydrophobicContact CD1-CE1 3.86Å; I171-Y199 HydrophobicContact CD1-CE2 3.87Å; I171-Y199 HydrophobicContact CG1-CE1 4.46Å; I171-Y199 HydrophobicContact CG2-CD1 3.75Å; I171-Y199 HydrophobicContact CG2-CE1 3.51Å; I171-Y199 WeakPolarHBondContact O-CA 3.3Å; I186-Y199 HydrophobicContact CG2-CE1 3.77Å; F187-Y199 HydrophobicContact CD1-CE1 4.22Å; F187-Y199 HydrophobicContact CD1-CE2 4.35Å; F187-Y199 AromaticContact CD1-CZ 3.84Å; F187-Y199 HydrophobicContact CE1-CE1 4.19Å; F187-Y199 HydrophobicContact CE1-CE2 4.39Å; N190-Y199 WeakPolarHBondContact CB-OH 3.48Å; G191-Y199 PolarHBondContact O-OH 2.94Å; P193-Y199 HydrophobicContact CB-CD2 3.88Å; P193-Y199 HydrophobicContact CB-CE2 4.33Å; P193-Y199 HydrophobicContact CG-CD2 3.71Å; P193-Y199 HydrophobicContact CG-CE2 3.94Å; P193-Y199 HydrophobicContact CG-CG 4.4Å; T197-Y199 WeakPolarHBondContact O-CD2 3.34Å; Y199-F201 HydrophobicContact CD1-CD2 4.43Å; Y199-F201 AromaticContact CD1-CE2 3.47Å; Y199-F201 HydrophobicContact CD1-CE2 3.47Å; Y199-F201 VanDerWaalsContact CD1-CE2 3.47Å; Y199-F201 AromaticContact CD1-CZ 3.67Å; Y199-F201 HydrophobicContact CD1-CZ 3.67Å; Y199-F201 HydrophobicContact CE1-CE2 4.29Å; Y199-F201 HydrophobicContact CE1-CZ 4.06Å; Y199-F201 AromaticContact CG-CE2 3.85Å; Y199-F201 HydrophobicContact CG-CE2 3.85Å; Y199-F201 HydrophobicContact CG-CZ 4.44Å; Y199-H229 PolarHBondContact N-O 2.97Å; Y199-M230 HydrophobicContact CG-SD 4.43Å; Y199-H231 PolarHBondContact O-CD2 3.19Å; Y199-H231 PolarHBondContact O-N 3.01Å
200	I	96.9	Very high	89	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.2	167.8	-54.9	170.9	0	0	0	107.5	L161 T170 I171 C172 A173 H231 T278 I280 I286	L161-I200 HydrophobicContact CD1-CD1 3.73Å; L161-I200 HydrophobicContact CD1-CG1 4.15Å; T170-I200 HydrophobicContact CG2-CD1 3.65Å; T170-I200 HydrophobicContact CG2-CG1 3.9Å; I171-I200 PolarHBondContact O-N 3.26Å; C172-I200 WeakPolarHBondContact CA-O 3.44Å; A173-I200 PolarHBondContact N-O 3.23Å; I200-H231 WeakPolarHBondContact CA-O 3.32Å; I200-H231 HydrophobicContact CG1-CB 4.29Å; I200-T278 HydrophobicContact CD1-CG2 3.92Å; I200-I280 HydrophobicContact CD1-CD1 3.79Å; I200-I280 HydrophobicContact CD1-CG1 4.3Å; I200-I286 HydrophobicContact CD1-CD1 3.85Å
201	F	98.2	Very high	89.7	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.1	170.5	-69.1	-94.1	0	0	0	109.1	A173 L176 L183 I186 F187 Y199 G203 F205 L219 M230 H231 L232 N233	A173-F201 HydrophobicContact CB-CD1 3.55Å; A173-F201 HydrophobicContact CB-CE1 3.61Å; A173-F201 HydrophobicContact CB-CG 4.32Å; A173-F201 HydrophobicContact CB-CZ 4.44Å; L176-F201 HydrophobicContact CD1-CD1 3.68Å; L176-F201 HydrophobicContact CD1-CE1 3.82Å; L176-F201 HydrophobicContact CG-CD1 4.47Å; L183-F201 HydrophobicContact CD1-CE1 3.6Å; L183-F201 HydrophobicContact CD1-CZ 3.62Å; I186-F201 HydrophobicContact CD1-CE1 4.32Å; F187-F201 HydrophobicContact CE1-CE2 4.26Å; F187-F201 AromaticContact CE1-CZ 3.88Å; F187-F201 HydrophobicContact CE1-CZ 3.88Å; F187-F201 HydrophobicContact CZ-CZ 4.29Å; Y199-F201 HydrophobicContact CD1-CD2 4.43Å; Y199-F201 AromaticContact CD1-CE2 3.47Å; Y199-F201 HydrophobicContact CD1-CE2 3.47Å; Y199-F201 VanDerWaalsContact CD1-CE2 3.47Å; Y199-F201 AromaticContact CD1-CZ 3.67Å; Y199-F201 HydrophobicContact CD1-CZ 3.67Å; Y199-F201 HydrophobicContact CE1-CE2 4.29Å; Y199-F201 HydrophobicContact CE1-CZ 4.06Å; Y199-F201 AromaticContact CG-CE2 3.85Å; Y199-F201 HydrophobicContact CG-CE2 3.85Å; Y199-F201 HydrophobicContact CG-CZ 4.44Å; F201-G203 PolarHBondContact O-N 2.86Å; F201-F205 HydrophobicContact CB-CD1 4.42Å; F201-F205 HydrophobicContact CB-CE1 3.67Å; F201-F205 HydrophobicContact CB-CZ 4.37Å; F201-L219 HydrophobicContact CB-CD2 4.45Å; F201-L219 HydrophobicContact CD1-CD2 3.95Å; F201-L219 HydrophobicContact CD2-CD2 3.62Å; F201-L219 HydrophobicContact CE1-CD2 4.07Å; F201-L219 HydrophobicContact CE2-CD2 3.73Å; F201-L219 HydrophobicContact CG-CD2 3.74Å; F201-L219 HydrophobicContact CZ-CD2 3.95Å; F201-M230 HydrophobicContact CD2-CE 3.53Å; F201-M230 HydrophobicContact CD2-SD 4.16Å; F201-M230 HydrophobicContact CE2-CE 3.51Å; F201-M230 HydrophobicContact CE2-SD 3.99Å; F201-H231 PolarHBondContact N-O 2.9Å; F201-L232 HydrophobicContact CB-CD2 3.87Å; F201-L232 HydrophobicContact CD2-CD2 4.34Å; F201-L232 HydrophobicContact CG-CD2 4.48Å; F201-N233 PolarHBondContact O-N 3.47Å
202	N	97.8	Very high	90.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	63.9	-164.4	-170.2	42.6	0	0	0	112.8	A173 N233 I286 V287 H288 S474	A173-N202 WeakPolarHBondContact O-CB 3.27Å; A173-N202 PolarHBondContact O-N 2.55Å; N202-N233 PolarHBondContact OD1-ND2 2.94Å; N202-I286 HydrophobicContact CB-CG2 4.21Å; N202-V287 PolarHBondContact ND2-O 3.44Å; N202-V287 VanDerWaalsContact OD1-C 3.31Å; N202-H288 PolarHBondContact O-ND1 3.09Å; N202-H288 PolarHBondContact OD1-N 2.78Å; N202-S474 WeakPolarHBondContact CB-OG 3.41Å; N202-S474 PolarHBondContact ND2-OG 3.25Å; N202-S474 PolarHBondContact O-OG 3.18Å
203	G	95.8	Very high	91.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	79.2	175.8	177.8	0	0	0	0	0	116	F201 F205 N233	F201-G203 PolarHBondContact O-N 2.86Å; G203-F205 WeakPolarHBondContact O-CD1 3.46Å; G203-F205 WeakPolarHBondContact O-CE1 3.29Å; G203-N233 VanDerWaalsContact CA-O 3.26Å; G203-N233 WeakPolarHBondContact CA-O 3.48Å; G203-N233 PolarHBondContact N-O 3.34Å; G203-N233 VanDerWaalsContact N-O 3.13Å
204	D	97.8	Very high	91.6	Very high	3 Å²	3	25 Å²	25	2%	0.016	13%	0.126	C	C	.	.			trans	56.4	56.6	170	-80.6	23.8	0	0	0	113.6	D175 L176 H177 G235 N236 H237 E238 H288	D175-D204 HydrophobicContact CB-CB 3.81Å; L176-D204 PolarHBondContact N-O 3.35Å; H177-D204 IonicContact CE1-OD2 2.73Å; H177-D204 PolarHBondContact CE1-OD2 3.33Å; H177-D204 PolarHBondContact N-O 3.24Å; H177-D204 IonicContact NE2-OD2 3.21Å; D204-G235 VanDerWaalsContact OD1-CA 3.3Å; D204-G235 WeakPolarHBondContact OD1-CA 3.35Å; D204-N236 PolarHBondContact OD1-N 3.33Å; D204-N236 PolarHBondContact OD1-OD1 3.23Å; D204-N236 PolarHBondContact OD2-OD1 3.26Å; D204-N236 VanDerWaalsContact OD2-OD1 3.05Å; D204-H237 WeakPolarHBondContact OD1-CB 3.49Å; D204-H237 PolarHBondContact OD1-N 2.79Å; D204-H237 IonicContact OD2-CD2 3.07Å; D204-H237 PolarHBondContact OD2-CD2 3.34Å; D204-H237 IonicContact OD2-CG 2.73Å; D204-E238 PolarHBondContact N-OE2 3.37Å; D204-H288 IonicContact OD1-CE1 3.25Å; D204-H288 PolarHBondContact OD1-CE1 2.96Å; D204-H288 IonicContact OD1-NE2 3.96Å; D204-H288 IonicContact OD2-CE1 2.68Å; D204-H288 IonicContact OD2-NE2 3.97Å
205	F	97.4	Very high	92.1	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	12%	0.12	C	C	.	.			trans	-78.3	-30.6	178.3	-44.4	-40.9	0	0	0	111.6	G178 F201 G203 V215 L219 L232 N233 E238 L274	G178-F205 PolarHBondContact N-O 3.18Å; F201-F205 HydrophobicContact CB-CD1 4.42Å; F201-F205 HydrophobicContact CB-CE1 3.67Å; F201-F205 HydrophobicContact CB-CZ 4.37Å; G203-F205 WeakPolarHBondContact O-CD1 3.46Å; G203-F205 WeakPolarHBondContact O-CE1 3.29Å; F205-V215 HydrophobicContact CB-CG1 4.22Å; F205-V215 WeakPolarHBondContact O-CG1 3.36Å; F205-L219 HydrophobicContact CB-CD1 3.85Å; F205-L219 HydrophobicContact CD1-CD1 3.54Å; F205-L219 HydrophobicContact CD2-CD1 4.25Å; F205-L219 HydrophobicContact CE1-CD1 4.17Å; F205-L219 HydrophobicContact CG-CD1 3.59Å; F205-L232 HydrophobicContact CE1-CD2 4.46Å; F205-L232 HydrophobicContact CE2-CB 4.12Å; F205-L232 HydrophobicContact CE2-CD1 4.38Å; F205-L232 HydrophobicContact CE2-CD2 4.46Å; F205-L232 HydrophobicContact CZ-CB 3.88Å; F205-L232 HydrophobicContact CZ-CD2 4.02Å; F205-L232 HydrophobicContact CZ-CG 4.4Å; F205-N233 WeakPolarHBondContact CZ-O 3.4Å; F205-E238 HydrophobicContact CD2-CG 4.19Å; F205-E238 HydrophobicContact CE2-CG 4.48Å; F205-E238 PolarHBondContact N-OE1 3.16Å; F205-L274 HydrophobicContact CE2-CD1 4.1Å
206	V	96.4	Very high	92.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-113.7	-177.8	-170.4	-59.8	0	0	0	0	113.2	H177 V216 F248 F271	H177-V206 PolarHBondContact ND1-O 3.36Å; H177-V206 VanDerWaalsContact ND1-O 3.1Å; V206-V216 HydrophobicContact CG1-CB 3.9Å; V206-V216 HydrophobicContact CG1-CG1 4.14Å; V206-V216 HydrophobicContact CG1-CG2 4.3Å; V206-F248 HydrophobicContact CB-CB 4.28Å; V206-F248 HydrophobicContact CB-CD1 4.32Å; V206-F248 HydrophobicContact CB-CD2 3.98Å; V206-F248 HydrophobicContact CB-CE2 4.32Å; V206-F248 HydrophobicContact CB-CG 3.95Å; V206-F248 HydrophobicContact CG1-CD1 4.45Å; V206-F248 HydrophobicContact CG1-CD2 3.98Å; V206-F248 HydrophobicContact CG1-CE1 4.31Å; V206-F248 HydrophobicContact CG1-CE2 3.81Å; V206-F248 HydrophobicContact CG1-CG 4.29Å; V206-F248 HydrophobicContact CG1-CZ 3.98Å; V206-F248 HydrophobicContact CG2-CB 4.48Å; V206-F248 HydrophobicContact CG2-CD1 4.24Å; V206-F248 HydrophobicContact CG2-CG 4.26Å; V206-F271 HydrophobicContact CG1-CZ 4.13Å; V206-F271 HydrophobicContact CG2-CE2 4.28Å; V206-F271 HydrophobicContact CG2-CZ 4.24Å
207	D	88.9	Confident	93.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	62.7	167.6	-176.6	-78.3	-41.8	0	0	0	115.3	H177 G209 H237 N243 G247 F248	H177-D207 CarbonylContact C-O 3.37Å; H177-D207 VanDerWaalsContact CA-O 3.3Å; H177-D207 WeakPolarHBondContact CA-O 3.39Å; H177-D207 WeakPolarHBondContact CB-O 3.21Å; D207-G209 PolarHBondContact O-N 3.38Å; D207-H237 HydrophobicContact CB-CB 4.44Å; D207-H237 WeakPolarHBondContact CB-ND1 3.48Å; D207-H237 IonicContact OD2-CE1 2.77Å; D207-H237 IonicContact OD2-CG 2.75Å; D207-H237 IonicContact OD2-ND1 2.72Å; D207-H237 PolarHBondContact OD2-ND1 3.33Å; D207-N243 WeakPolarHBondContact OD1-CA 3.24Å; D207-N243 VanDerWaalsContact OD2-CA 3.27Å; D207-N243 WeakPolarHBondContact OD2-CA 3.38Å; D207-N243 PolarHBondContact OD2-N 2.77Å; D207-N243 PolarHBondContact OD2-ND2 3.44Å; D207-G247 PolarHBondContact OD1-N 3.13Å; D207-F248 VanDerWaalsContact OD1-CB 3.25Å; D207-F248 WeakPolarHBondContact OD1-CB 3.45Å; D207-F248 PolarHBondContact OD1-N 3.05Å
208	R	82.7	Confident	94.3	Very high	61 Å²	61	15.9 Å²	15.9	23%	0.23	7%	0.073	C	C	.	.	S	Bend	trans	64.4	-45.6	179.7	-36	-80.6	-176.2	142.1	0.3	114.7	E53 E57 H177 H237 Y246 Y499	E53-R208 IonicContact OE1-CZ 3.89Å; E53-R208 IonicContact OE1-NH1 3.57Å; E53-R208 PolarHBondContact OE1-NH1 3.42Å; E53-R208 IonicContact OE1-NH2 3.06Å; E57-R208 IonicContact OE1-CZ 2.75Å; E57-R208 IonicContact OE1-NH1 3.74Å; E57-R208 IonicContact OE1-NH2 3.37Å; E57-R208 PolarHBondContact OE1-NH2 2.85Å; H177-R208 HydrophobicContact CB-CB 4.15Å; H177-R208 HydrophobicContact CB-CG 4.26Å; R208-H237 PolarHBondContact NE-CE1 2.86Å; R208-H237 PolarHBondContact NE-NE2 2.76Å; R208-H237 PolarHBondContact NH2-NE2 2.87Å; R208-Y246 VanDerWaalsContact CZ-CE1 3.44Å; R208-Y246 PolarHBondContact N-O 2.92Å; R208-Y499 HydrophobicContact CB-CE2 4.04Å; R208-Y499 WeakPolarHBondContact CD-OH 3.43Å; R208-Y499 HydrophobicContact CG-CE2 4.04Å; R208-Y499 WeakPolarHBondContact CG-OH 3.13Å; R208-Y499 PolarHBondContact NE-OH 3.07Å
209	G	80.8	Confident	94.6	Very high	14 Å²	14	15.6 Å²	15.6	14%	0.144	7%	0.071	C	C	.	.	S	Bend	trans	-74.4	-170.4	173.4	0	0	0	0	0	114.2	H177 D207	H177-G209 WeakPolarHBondContact O-CA 3.36Å; H177-G209 PolarHBondContact O-N 2.98Å; H177-G209 VanDerWaalsContact O-N 3.14Å; D207-G209 PolarHBondContact O-N 3.38Å
210	K	86	Confident	94.8	Very high	186 Å²	186	15.7 Å²	15.7	81%	0.809	7%	0.071	S	C	*	.	S	Bend	trans	-125	-3.3	-177.7	-58	-177.5	-177	179.2	0	113.7	K255	K210-K255 PolarHBondContact O-NZ 3.24Å
211	K	94.3	Very high	94.8	Very high	48 Å²	48	15.7 Å²	15.7	21%	0.209	7%	0.071	C	C	.	.			trans	-124.7	38	-178.8	-59.7	-179.9	175.6	-178.8	0	110.6	G178 L180 D181 E214 V215 E251	G178-K211 WeakPolarHBondContact O-CB 3.48Å; G178-K211 PolarHBondContact O-N 3.48Å; L180-K211 HydrophobicContact CB-CB 3.85Å; L180-K211 HydrophobicContact CB-CD 3.54Å; L180-K211 HydrophobicContact CB-CG 4.39Å; L180-K211 HydrophobicContact CD2-CD 3.87Å; L180-K211 HydrophobicContact CG-CD 4.33Å; D181-K211 IonicContact OD1-NZ 3.18Å; D181-K211 PolarHBondContact OD1-NZ 2.86Å; K211-E214 WeakPolarHBondContact CA-OE2 3.47Å; K211-E214 HydrophobicContact CB-CB 4.4Å; K211-E214 PolarHBondContact O-N 2.88Å; K211-V215 WeakPolarHBondContact O-CG2 3.24Å; K211-V215 PolarHBondContact O-N 3.34Å; K211-V215 VanDerWaalsContact O-N 3.09Å; K211-E251 PolarHBondContact N-OE2 3.49Å
212	S	96.7	Very high	94.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-66.6	-42.1	-175.1	-44.6	0	0	0	0	111.1	V215 V216 E251	S212-V215 PolarHBondContact O-N 2.98Å; S212-V216 WeakPolarHBondContact O-CG1 3.4Å; S212-V216 PolarHBondContact O-N 2.89Å; S212-E251 WeakPolarHBondContact CB-OE2 3.28Å; S212-E251 PolarHBondContact N-OE1 3.46Å; S212-E251 PolarHBondContact N-OE2 3.28Å; S212-E251 PolarHBondContact OG-OE2 2.96Å
213	V	96.9	Very high	94.7	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-60.4	-46.1	175.3	171.6	0	0	0	0	110.8	I217 F248 E251 V252 K255 Y256	V213-I217 HydrophobicContact CG1-CG1 4.17Å; V213-I217 WeakPolarHBondContact O-CB 3.49Å; V213-I217 WeakPolarHBondContact O-CG1 3.32Å; V213-I217 PolarHBondContact O-N 2.92Å; V213-F248 HydrophobicContact CG2-CE2 3.83Å; V213-E251 WeakPolarHBondContact CB-OE1 3.5Å; V213-E251 WeakPolarHBondContact CG2-OE1 3.46Å; V213-E251 PolarHBondContact N-OE1 3.21Å; V213-V252 HydrophobicContact CG2-CG2 3.72Å; V213-K255 HydrophobicContact CB-CD 4.35Å; V213-K255 HydrophobicContact CG2-CD 4.26Å; V213-Y256 HydrophobicContact CG1-CE2 4.04Å
214	E	97.1	Very high	94.8	Very high	11 Å²	11	17.6 Å²	17.6	5%	0.051	8%	0.081	C	C	.	.	H	α-helix	trans	-66.7	-39.4	-178.1	-65.1	76.1	-172.8	0	0	111.7	F130 L180 K211 L218 K255	F130-E214 HydrophobicContact CB-CB 4.08Å; F130-E214 HydrophobicContact CB-CG 3.97Å; F130-E214 HydrophobicContact CD1-CB 4.42Å; F130-E214 HydrophobicContact CD1-CG 3.79Å; F130-E214 HydrophobicContact CD2-CB 3.62Å; F130-E214 HydrophobicContact CD2-CG 3.92Å; F130-E214 HydrophobicContact CE1-CG 4.21Å; F130-E214 HydrophobicContact CE2-CB 4.1Å; F130-E214 HydrophobicContact CE2-CG 4.34Å; F130-E214 HydrophobicContact CG-CB 3.81Å; F130-E214 HydrophobicContact CG-CG 3.63Å; F130-E214 HydrophobicContact CZ-CG 4.48Å; L180-E214 HydrophobicContact CD1-CB 4.29Å; L180-E214 HydrophobicContact CD2-CB 3.99Å; K211-E214 WeakPolarHBondContact CA-OE2 3.47Å; K211-E214 HydrophobicContact CB-CB 4.4Å; K211-E214 PolarHBondContact O-N 2.88Å; E214-L218 WeakPolarHBondContact O-CB 3.47Å; E214-L218 WeakPolarHBondContact O-CG 3.4Å; E214-L218 PolarHBondContact O-N 2.81Å; E214-L218 VanDerWaalsContact O-N 3.17Å; E214-K255 IonicContact OE1-NZ 2.76Å; E214-K255 PolarHBondContact OE1-NZ 2.87Å; E214-K255 IonicContact OE2-NZ 2.62Å; E214-K255 PolarHBondContact OE2-NZ 2.73Å
215	V	97.7	Very high	94.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.2	-58.1	173.7	166.6	0	0	0	0	110.7	L176 L180 L183 F205 K211 S212 I217 L218 L219	L176-V215 HydrophobicContact CB-CG1 4.28Å; L176-V215 HydrophobicContact CD1-CG1 4.02Å; L180-V215 HydrophobicContact CB-CG2 4.03Å; L180-V215 HydrophobicContact CD1-CG2 4.34Å; L183-V215 HydrophobicContact CD2-CB 4.47Å; L183-V215 HydrophobicContact CD2-CG1 4.26Å; L183-V215 HydrophobicContact CD2-CG2 4.28Å; F205-V215 HydrophobicContact CB-CG1 4.22Å; F205-V215 WeakPolarHBondContact O-CG1 3.36Å; K211-V215 WeakPolarHBondContact O-CG2 3.24Å; K211-V215 PolarHBondContact O-N 3.34Å; K211-V215 VanDerWaalsContact O-N 3.09Å; S212-V215 PolarHBondContact O-N 2.98Å; V215-I217 VanDerWaalsContact C-N 3.33Å; V215-I217 PolarHBondContact O-N 2.86Å; V215-L218 PolarHBondContact O-N 3.04Å; V215-L219 HydrophobicContact CG1-CD1 3.83Å; V215-L219 HydrophobicContact CG1-CG 4.41Å; V215-L219 WeakPolarHBondContact O-CG 3.39Å; V215-L219 PolarHBondContact O-N 2.99Å
216	V	98.1	Very high	94.5	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-66.1	-34.4	-173.7	73.2	0	0	0	0	112.5	V206 S212 L219 L220 F248 F267 F271	V206-V216 HydrophobicContact CG1-CB 3.9Å; V206-V216 HydrophobicContact CG1-CG1 4.14Å; V206-V216 HydrophobicContact CG1-CG2 4.3Å; S212-V216 WeakPolarHBondContact O-CG1 3.4Å; S212-V216 PolarHBondContact O-N 2.89Å; V216-L219 PolarHBondContact O-N 3.49Å; V216-L220 HydrophobicContact CG2-CD1 4.12Å; V216-L220 HydrophobicContact CG2-CG 4.43Å; V216-L220 WeakPolarHBondContact O-CB 3.36Å; V216-L220 VanDerWaalsContact O-CG 3.27Å; V216-L220 WeakPolarHBondContact O-CG 3.28Å; V216-L220 PolarHBondContact O-N 3.27Å; V216-F248 HydrophobicContact CG1-CE2 4.42Å; V216-F248 HydrophobicContact CG1-CZ 4.29Å; V216-F267 HydrophobicContact CB-CE1 4.41Å; V216-F267 HydrophobicContact CG1-CE1 3.45Å; V216-F267 VanDerWaalsContact CG1-CE1 3.45Å; V216-F267 HydrophobicContact CG1-CZ 3.6Å; V216-F267 HydrophobicContact CG2-CE1 4.03Å; V216-F271 HydrophobicContact CG2-CE1 3.93Å; V216-F271 HydrophobicContact CG2-CZ 4.3Å
217	I	98.1	Very high	94.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69.6	-37.3	176.4	-67.5	-66.9	0	0	0	111.7	F130 L136 V141 L144 L145 V213 V215 A221 F267	F130-I217 HydrophobicContact CE2-CB 4.19Å; F130-I217 HydrophobicContact CE2-CG2 3.97Å; F130-I217 HydrophobicContact CZ-CB 4.39Å; F130-I217 HydrophobicContact CZ-CG2 3.98Å; L136-I217 HydrophobicContact CD2-CG2 3.87Å; V141-I217 HydrophobicContact CG1-CD1 4.16Å; L144-I217 HydrophobicContact CD1-CG2 4.14Å; L144-I217 HydrophobicContact CD2-CD1 4.04Å; L145-I217 HydrophobicContact CD2-CD1 4.37Å; L145-I217 HydrophobicContact CG-CD1 4.42Å; V213-I217 HydrophobicContact CG1-CG1 4.17Å; V213-I217 WeakPolarHBondContact O-CB 3.49Å; V213-I217 WeakPolarHBondContact O-CG1 3.32Å; V213-I217 PolarHBondContact O-N 2.92Å; V215-I217 VanDerWaalsContact C-N 3.33Å; V215-I217 PolarHBondContact O-N 2.86Å; I217-A221 VanDerWaalsContact O-CB 3.25Å; I217-A221 WeakPolarHBondContact O-CB 3.41Å; I217-A221 PolarHBondContact O-N 2.9Å; I217-F267 HydrophobicContact CD1-CZ 4.12Å; I217-F267 HydrophobicContact CG1-CZ 4.5Å
218	L	97.3	Very high	94.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.6	-45	172.5	-76.8	171.2	0	0	0	112	L126 L127 F130 L180 L183 E214 V215 L220 A221 Y222	L126-L218 HydrophobicContact CB-CD2 4Å; L127-L218 HydrophobicContact CB-CD2 4.16Å; L127-L218 HydrophobicContact CD1-CD1 3.89Å; L127-L218 HydrophobicContact CD1-CD2 4.45Å; F130-L218 HydrophobicContact CD2-CD1 3.9Å; F130-L218 HydrophobicContact CD2-CD2 4.21Å; F130-L218 HydrophobicContact CD2-CG 3.73Å; F130-L218 HydrophobicContact CE2-CD2 4.44Å; F130-L218 HydrophobicContact CE2-CG 4.01Å; L180-L218 HydrophobicContact CD1-CD1 3.57Å; L183-L218 HydrophobicContact CD2-CB 4.39Å; L183-L218 HydrophobicContact CD2-CD1 4.4Å; E214-L218 WeakPolarHBondContact O-CB 3.47Å; E214-L218 WeakPolarHBondContact O-CG 3.4Å; E214-L218 PolarHBondContact O-N 2.81Å; E214-L218 VanDerWaalsContact O-N 3.17Å; V215-L218 PolarHBondContact O-N 3.04Å; L218-L220 VanDerWaalsContact C-N 3.32Å; L218-L220 PolarHBondContact O-N 2.75Å; L218-A221 PolarHBondContact O-N 3.27Å; L218-Y222 HydrophobicContact CD2-CE2 4.39Å; L218-Y222 WeakPolarHBondContact O-CD2 3.36Å; L218-Y222 PolarHBondContact O-N 3.06Å
219	L	97.9	Very high	94.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.2	-44.3	178.6	-69	176.8	0	0	0	111.5	L176 L183 F201 F205 V215 V216 L223 M230 L232	L176-L219 HydrophobicContact CD1-CD1 4.22Å; L183-L219 HydrophobicContact CD1-CD2 4.11Å; L183-L219 HydrophobicContact CD2-CD2 4.37Å; L183-L219 HydrophobicContact CD2-CG 4.44Å; F201-L219 HydrophobicContact CB-CD2 4.45Å; F201-L219 HydrophobicContact CD1-CD2 3.95Å; F201-L219 HydrophobicContact CD2-CD2 3.62Å; F201-L219 HydrophobicContact CE1-CD2 4.07Å; F201-L219 HydrophobicContact CE2-CD2 3.73Å; F201-L219 HydrophobicContact CG-CD2 3.74Å; F201-L219 HydrophobicContact CZ-CD2 3.95Å; F205-L219 HydrophobicContact CB-CD1 3.85Å; F205-L219 HydrophobicContact CD1-CD1 3.54Å; F205-L219 HydrophobicContact CD2-CD1 4.25Å; F205-L219 HydrophobicContact CE1-CD1 4.17Å; F205-L219 HydrophobicContact CG-CD1 3.59Å; V215-L219 HydrophobicContact CG1-CD1 3.83Å; V215-L219 HydrophobicContact CG1-CG 4.41Å; V215-L219 WeakPolarHBondContact O-CG 3.39Å; V215-L219 PolarHBondContact O-N 2.99Å; V216-L219 PolarHBondContact O-N 3.49Å; L219-L223 WeakPolarHBondContact O-CB 3.47Å; L219-L223 PolarHBondContact O-N 3.21Å; L219-M230 HydrophobicContact CB-CE 4.31Å; L219-M230 HydrophobicContact CD2-CE 3.47Å; L219-M230 VanDerWaalsContact CD2-CE 3.47Å; L219-M230 HydrophobicContact CG-CE 4.49Å; L219-L232 HydrophobicContact CB-CD1 4.16Å; L219-L232 HydrophobicContact CB-CD2 4Å; L219-L232 HydrophobicContact CD1-CD2 4.47Å; L219-L232 HydrophobicContact CD2-CD2 4.35Å
220	L	98.1	Very high	95.4	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-70.5	-32.5	175.5	-69.6	174.9	0	0	0	113.2	L144 L145 V216 L218 L223 L224 L232 V270	L144-L220 HydrophobicContact CD2-CB 3.66Å; L144-L220 HydrophobicContact CD2-CD1 4.45Å; L145-L220 HydrophobicContact CD2-CD1 3.65Å; V216-L220 HydrophobicContact CG2-CD1 4.12Å; V216-L220 HydrophobicContact CG2-CG 4.43Å; V216-L220 WeakPolarHBondContact O-CB 3.36Å; V216-L220 VanDerWaalsContact O-CG 3.27Å; V216-L220 WeakPolarHBondContact O-CG 3.28Å; V216-L220 PolarHBondContact O-N 3.27Å; L218-L220 VanDerWaalsContact C-N 3.32Å; L218-L220 PolarHBondContact O-N 2.75Å; L220-L223 HydrophobicContact CD2-CD2 4.01Å; L220-L223 PolarHBondContact O-N 2.89Å; L220-L224 WeakPolarHBondContact O-CB 3.37Å; L220-L224 WeakPolarHBondContact O-CG 3.29Å; L220-L224 PolarHBondContact O-N 3.17Å; L220-L232 HydrophobicContact CD2-CD1 3.82Å; L220-L232 HydrophobicContact CG-CD1 4.45Å; L220-V270 HydrophobicContact CD1-CG1 4.09Å; L220-V270 HydrophobicContact CD2-CG1 4.31Å
221	A	97.6	Very high	95.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.7	-44.2	173.7	0	0	0	0	0	111.7	L118 T123 L126 L144 I217 L218 L224 L225	L118-A221 HydrophobicContact CD1-CB 4.38Å; T123-A221 HydrophobicContact CG2-CB 4.13Å; L126-A221 HydrophobicContact CD1-CB 4.1Å; L144-A221 HydrophobicContact CD1-CB 4.02Å; I217-A221 VanDerWaalsContact O-CB 3.25Å; I217-A221 WeakPolarHBondContact O-CB 3.41Å; I217-A221 PolarHBondContact O-N 2.9Å; L218-A221 PolarHBondContact O-N 3.27Å; A221-L224 PolarHBondContact O-N 3.27Å; A221-L225 WeakPolarHBondContact O-CB 3.25Å; A221-L225 PolarHBondContact O-N 3.46Å
222	Y	96.8	Very high	96.1	Very high	3 Å²	3	17.8 Å²	17.8	1%	0.012	9%	0.091	C	C	.	.	H	α-helix	trans	-69.6	-33.5	175.5	-74.2	-65.1	0	0	0	112.6	T123 F187 P193 L218 L224 L225 Y226	T123-Y222 HydrophobicContact CG2-CD1 4.34Å; T123-Y222 HydrophobicContact CG2-CE1 4.14Å; F187-Y222 HydrophobicContact CE2-CD2 4.24Å; F187-Y222 AromaticContact CE2-CE2 3.85Å; F187-Y222 HydrophobicContact CE2-CE2 3.85Å; F187-Y222 HydrophobicContact CZ-CD2 4.09Å; F187-Y222 HydrophobicContact CZ-CE2 4.14Å; P193-Y222 HydrophobicContact CB-CD1 3.93Å; P193-Y222 HydrophobicContact CB-CG 4.09Å; P193-Y222 HydrophobicContact CG-CD1 3.95Å; P193-Y222 HydrophobicContact CG-CD2 4.09Å; P193-Y222 HydrophobicContact CG-CE1 4.44Å; P193-Y222 HydrophobicContact CG-CG 3.78Å; L218-Y222 HydrophobicContact CD2-CE2 4.39Å; L218-Y222 WeakPolarHBondContact O-CD2 3.36Å; L218-Y222 PolarHBondContact O-N 3.06Å; Y222-L224 VanDerWaalsContact C-N 3.31Å; Y222-L224 PolarHBondContact O-N 3.29Å; Y222-L225 HydrophobicContact CD1-CD2 4.42Å; Y222-L225 PolarHBondContact O-N 2.96Å; Y222-Y226 HydrophobicContact CD1-CD2 4.28Å; Y222-Y226 HydrophobicContact CD1-CE2 4.27Å; Y222-Y226 PolarHBondContact O-N 3.19Å
223	L	97.1	Very high	96.2	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-61.4	-39	171.3	171.8	66.2	0	0	0	111.7	L151 L152 M155 L219 L220 P227 M230 L232	L151-L223 HydrophobicContact CD2-CD1 4.16Å; L151-L223 HydrophobicContact CD2-CD2 4.5Å; L151-L223 HydrophobicContact CD2-CG 3.9Å; L152-L223 HydrophobicContact CD2-CD2 3.9Å; L152-L223 HydrophobicContact CG-CD2 4.28Å; M155-L223 HydrophobicContact SD-CD1 4.39Å; L219-L223 WeakPolarHBondContact O-CB 3.47Å; L219-L223 PolarHBondContact O-N 3.21Å; L220-L223 HydrophobicContact CD2-CD2 4.01Å; L220-L223 PolarHBondContact O-N 2.89Å; L223-P227 VanDerWaalsContact O-CA 3.23Å; L223-P227 WeakPolarHBondContact O-CA 3.27Å; L223-M230 HydrophobicContact CB-CG 4.35Å; L223-M230 WeakPolarHBondContact CD1-O 3.3Å; L223-L232 HydrophobicContact CB-CD1 4.42Å; L223-L232 HydrophobicContact CD2-CD1 4Å; L223-L232 HydrophobicContact CD2-CG 4.47Å
224	L	96.9	Very high	96.2	Very high	36 Å²	36	17.9 Å²	17.9	19%	0.188	9%	0.091	C	C	.	.	H	α-helix	trans	-78.6	-21.9	178.2	-74.1	167.2	0	0	0	113.8	F116 L118 L144 E147 S148 L151 L220 A221 Y222	F116-L224 HydrophobicContact CE1-CD1 4.07Å; L118-L224 HydrophobicContact CD1-CB 3.75Å; L118-L224 HydrophobicContact CD1-CD1 4.34Å; L144-L224 HydrophobicContact CD2-CD1 4.42Å; L144-L224 HydrophobicContact CG-CD1 4.11Å; E147-L224 HydrophobicContact CB-CD1 4.21Å; E147-L224 HydrophobicContact CB-CD2 4.14Å; S148-L224 WeakPolarHBondContact OG-CD1 3.29Å; L151-L224 HydrophobicContact CB-CD2 4.11Å; L151-L224 HydrophobicContact CD2-CD2 3.89Å; L220-L224 WeakPolarHBondContact O-CB 3.37Å; L220-L224 WeakPolarHBondContact O-CG 3.29Å; L220-L224 PolarHBondContact O-N 3.17Å; A221-L224 PolarHBondContact O-N 3.27Å; Y222-L224 VanDerWaalsContact C-N 3.31Å; Y222-L224 PolarHBondContact O-N 3.29Å
225	L	95.4	Very high	96.2	Very high	32 Å²	32	17.4 Å²	17.4	17%	0.168	9%	0.089	C	C	.	.	H	α-helix	trans	-86	-35.8	175.3	-177.7	62.2	0	0	0	112.3	L118 V120 T123 A221 Y222	L118-L225 VanDerWaalsContact O-CD1 3.31Å; L118-L225 WeakPolarHBondContact O-CD1 3.28Å; V120-L225 HydrophobicContact CG2-CD2 4.29Å; T123-L225 HydrophobicContact CG2-CB 4.46Å; T123-L225 HydrophobicContact CG2-CD2 3.65Å; A221-L225 WeakPolarHBondContact O-CB 3.25Å; A221-L225 PolarHBondContact O-N 3.46Å; Y222-L225 HydrophobicContact CD1-CD2 4.42Å; Y222-L225 PolarHBondContact O-N 2.96Å
226	Y	93.7	Very high	96	Very high	53 Å²	53	17.5 Å²	17.5	21%	0.208	9%	0.09	C	C	.	.			trans	-134.8	64.6	-176.7	-56	-69.3	0	0	0	112	P193 Y222 D228 H229 M230	P193-Y226 HydrophobicContact CB-CD2 4.43Å; P193-Y226 WeakPolarHBondContact O-CD2 3.33Å; P193-Y226 WeakPolarHBondContact O-CE2 3.49Å; Y222-Y226 HydrophobicContact CD1-CD2 4.28Å; Y222-Y226 HydrophobicContact CD1-CE2 4.27Å; Y222-Y226 PolarHBondContact O-N 3.19Å; Y226-D228 PolarHBondContact O-N 2.87Å; Y226-D228 VanDerWaalsContact O-N 3.15Å; Y226-H229 PolarHBondContact O-N 3.01Å; Y226-M230 WeakPolarHBondContact O-CB 3.29Å; Y226-M230 PolarHBondContact O-N 3.44Å
227	P	93.3	Very high	95.8	Very high	46 Å²	46	17.5 Å²	17.5	30%	0.299	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.2	-173.1	23.2	-34.7	0	0	0	114.1	L151 L223	L151-P227 HydrophobicContact CD1-CB 4.26Å; L151-P227 HydrophobicContact CD2-CB 4.05Å; L223-P227 VanDerWaalsContact O-CA 3.23Å; L223-P227 WeakPolarHBondContact O-CA 3.27Å
228	D	90.4	Very high	95.7	Very high	125 Å²	125	17.5 Å²	17.5	67%	0.668	9%	0.09	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.1	-179.1	-50.6	-68.9	0	0	0	114.2	Y226 H231	Y226-D228 PolarHBondContact O-N 2.87Å; Y226-D228 VanDerWaalsContact O-N 3.15Å; D228-H231 PolarHBondContact O-CE1 2.95Å; D228-H231 VanDerWaalsContact O-CE1 3.28Å; D228-H231 PolarHBondContact O-NE2 3.28Å
229	H	90.6	Very high	95.4	Very high	51 Å²	51	17.7 Å²	17.7	24%	0.236	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-13.7	-174.7	-55.9	83.9	0	0	0	114.2	A195 P198 Y199 Y226	A195-H229 PolarHBondContact O-CD2 2.86Å; P198-H229 CarbonylContact C-O 3.56Å; P198-H229 WeakPolarHBondContact CA-O 3.26Å; P198-H229 HydrophobicContact CB-CB 4.16Å; P198-H229 WeakPolarHBondContact CB-O 3.36Å; Y199-H229 PolarHBondContact N-O 2.97Å; Y226-H229 PolarHBondContact O-N 3.01Å
230	M	94.3	Very high	94.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	112.3	177.9	179.8	73.9	178.6	0	0	109.4	P193 Y199 F201 L219 L223 Y226 L232	P193-M230 HydrophobicContact CB-SD 4.03Å; P193-M230 HydrophobicContact CG-SD 3.9Å; Y199-M230 HydrophobicContact CG-SD 4.43Å; F201-M230 HydrophobicContact CD2-CE 3.53Å; F201-M230 HydrophobicContact CD2-SD 4.16Å; F201-M230 HydrophobicContact CE2-CE 3.51Å; F201-M230 HydrophobicContact CE2-SD 3.99Å; L219-M230 HydrophobicContact CB-CE 4.31Å; L219-M230 HydrophobicContact CD2-CE 3.47Å; L219-M230 VanDerWaalsContact CD2-CE 3.47Å; L219-M230 HydrophobicContact CG-CE 4.49Å; L223-M230 HydrophobicContact CB-CG 4.35Å; L223-M230 WeakPolarHBondContact CD1-O 3.3Å; Y226-M230 WeakPolarHBondContact O-CB 3.29Å; Y226-M230 PolarHBondContact O-N 3.44Å; M230-L232 HydrophobicContact CE-CD2 4.06Å
231	H	96.2	Very high	93.9	Very high	7 Å²	7	20.2 Å²	20.2	3%	0.032	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.6	-172.1	-45.3	-64.9	0	0	0	112	L161 Y199 I200 F201 D228	L161-H231 VanDerWaalsContact CD1-CD2 3.49Å; L161-H231 WeakPolarHBondContact CD1-CD2 3.4Å; L161-H231 WeakPolarHBondContact CD2-NE2 3.45Å; Y199-H231 PolarHBondContact O-CD2 3.19Å; Y199-H231 PolarHBondContact O-N 3.01Å; I200-H231 WeakPolarHBondContact CA-O 3.32Å; I200-H231 HydrophobicContact CG1-CB 4.29Å; F201-H231 PolarHBondContact N-O 2.9Å; D228-H231 PolarHBondContact O-CE1 2.95Å; D228-H231 VanDerWaalsContact O-CE1 3.28Å; D228-H231 PolarHBondContact O-NE2 3.28Å
232	L	97.9	Very high	93.1	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.021	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114.1	-179	-55.9	-177.3	0	0	0	109.1	F201 F205 L219 L220 L223 M230 L274 P275	F201-L232 HydrophobicContact CB-CD2 3.87Å; F201-L232 HydrophobicContact CD2-CD2 4.34Å; F201-L232 HydrophobicContact CG-CD2 4.48Å; F205-L232 HydrophobicContact CE1-CD2 4.46Å; F205-L232 HydrophobicContact CE2-CB 4.12Å; F205-L232 HydrophobicContact CE2-CD1 4.38Å; F205-L232 HydrophobicContact CE2-CD2 4.46Å; F205-L232 HydrophobicContact CZ-CB 3.88Å; F205-L232 HydrophobicContact CZ-CD2 4.02Å; F205-L232 HydrophobicContact CZ-CG 4.4Å; L219-L232 HydrophobicContact CB-CD1 4.16Å; L219-L232 HydrophobicContact CB-CD2 4Å; L219-L232 HydrophobicContact CD1-CD2 4.47Å; L219-L232 HydrophobicContact CD2-CD2 4.35Å; L220-L232 HydrophobicContact CD2-CD1 3.82Å; L220-L232 HydrophobicContact CG-CD1 4.45Å; L223-L232 HydrophobicContact CB-CD1 4.42Å; L223-L232 HydrophobicContact CD2-CD1 4Å; L223-L232 HydrophobicContact CD2-CG 4.47Å; M230-L232 HydrophobicContact CE-CD2 4.06Å; L232-L274 HydrophobicContact CB-CD2 3.88Å; L232-L274 HydrophobicContact CD1-CD2 4.36Å; L232-P275 WeakPolarHBondContact O-CD 3.44Å
233	N	97.8	Very high	92.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	149.5	164.9	-70.1	-19.6	0	0	0	109.3	F201 N202 G203 F205 P275 A277 T278 I286	F201-N233 PolarHBondContact O-N 3.47Å; N202-N233 PolarHBondContact OD1-ND2 2.94Å; G203-N233 VanDerWaalsContact CA-O 3.26Å; G203-N233 WeakPolarHBondContact CA-O 3.48Å; G203-N233 PolarHBondContact N-O 3.34Å; G203-N233 VanDerWaalsContact N-O 3.13Å; F205-N233 WeakPolarHBondContact CZ-O 3.4Å; N233-P275 CarbonylContact C-O 3.53Å; N233-P275 WeakPolarHBondContact CA-O 3.44Å; N233-A277 VanDerWaalsContact OD1-C 3.27Å; N233-A277 PolarHBondContact OD1-O 2.72Å; N233-T278 PolarHBondContact OD1-OG1 3.43Å; N233-I286 PolarHBondContact ND2-O 3.07Å
234	R	97.7	Very high	91.8	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.015	13%	0.129	C	C	.	.			trans	-70.1	133.3	171.7	-163.6	-179.6	-179.6	177.2	4	110.4	E238 F271 L274 P275 I276 H288 V308 K309 L432	R234-E238 HydrophobicContact CG-CB 3.84Å; R234-E238 PolarHBondContact NE-O 3.08Å; R234-E238 PolarHBondContact NH2-O 3.29Å; R234-F271 VanDerWaalsContact CD-O 3.28Å; R234-F271 WeakPolarHBondContact CD-O 3.41Å; R234-F271 PolarHBondContact NE-O 3.28Å; R234-L274 HydrophobicContact CB-CB 3.74Å; R234-L274 HydrophobicContact CB-CD1 4.34Å; R234-L274 HydrophobicContact CG-CB 4.19Å; R234-L274 HydrophobicContact CG-CD1 4.29Å; R234-P275 WeakPolarHBondContact CB-O 3.43Å; R234-P275 PolarHBondContact N-O 3.41Å; R234-I276 HydrophobicContact CB-CG2 4.41Å; R234-H288 VanDerWaalsContact O-CB 3.31Å; R234-H288 WeakPolarHBondContact O-CB 3.19Å; R234-V308 PolarHBondContact NH1-O 3.49Å; R234-K309 PolarHBondContact NH2-O 3.46Å; R234-L432 HydrophobicContact CB-CD2 4.33Å; R234-L432 WeakPolarHBondContact O-CD2 3.44Å
235	G	96.4	Very high	90.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.			trans	-99.6	-178.1	165.4	0	0	0	0	0	113	D204 E238 H288	D204-G235 VanDerWaalsContact OD1-CA 3.3Å; D204-G235 WeakPolarHBondContact OD1-CA 3.35Å; G235-E238 VanDerWaalsContact CA-OE2 3.25Å; G235-E238 WeakPolarHBondContact CA-OE2 3.43Å; G235-E238 PolarHBondContact N-OE2 3.09Å; G235-E238 PolarHBondContact O-N 2.92Å; G235-H288 VanDerWaalsContact CA-CG 3.4Å
236	N	93.9	Very high	89.7	Confident	3 Å²	3	28.5 Å²	28.5	2%	0.016	14%	0.137	C	C	.	.	S	Bend	trans	-77.9	-23.2	178.2	73.5	-67.5	0	0	0	112.7	D204 E238 H288 L432 W433 H475	D204-N236 PolarHBondContact OD1-N 3.33Å; D204-N236 PolarHBondContact OD1-OD1 3.23Å; D204-N236 PolarHBondContact OD2-OD1 3.26Å; D204-N236 VanDerWaalsContact OD2-OD1 3.05Å; N236-E238 VanDerWaalsContact C-N 3.32Å; N236-H288 PolarHBondContact OD1-NE2 2.79Å; N236-L432 HydrophobicContact CB-CB 4.47Å; N236-W433 HydrophobicContact CB-CD2 4.02Å; N236-W433 HydrophobicContact CB-CG 4.46Å; N236-W433 HydrophobicContact CB-CH2 4.28Å; N236-W433 HydrophobicContact CB-CZ2 3.66Å; N236-W433 WeakPolarHBondContact ND2-CH2 3.12Å; N236-W433 VanDerWaalsContact ND2-CZ2 3.34Å; N236-W433 WeakPolarHBondContact ND2-CZ2 3.17Å; N236-W433 WeakPolarHBondContact ND2-CZ3 3.14Å; N236-H475 PolarHBondContact OD1-CE1 3.03Å; N236-H475 PolarHBondContact OD1-ND1 2.73Å
237	H	94.3	Very high	89.1	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.139	C	C	.	.	S	Bend	trans	-79	-9.8	171.8	-84.9	-85	0	0	0	113.9	H177 D204 D207 R208 D239 N243 Y246	H177-H237 AromaticContact CE1-CD2 3.63Å; D204-H237 WeakPolarHBondContact OD1-CB 3.49Å; D204-H237 PolarHBondContact OD1-N 2.79Å; D204-H237 IonicContact OD2-CD2 3.07Å; D204-H237 PolarHBondContact OD2-CD2 3.34Å; D204-H237 IonicContact OD2-CG 2.73Å; D207-H237 HydrophobicContact CB-CB 4.44Å; D207-H237 WeakPolarHBondContact CB-ND1 3.48Å; D207-H237 IonicContact OD2-CE1 2.77Å; D207-H237 IonicContact OD2-CG 2.75Å; D207-H237 IonicContact OD2-ND1 2.72Å; D207-H237 PolarHBondContact OD2-ND1 3.33Å; R208-H237 PolarHBondContact NE-CE1 2.86Å; R208-H237 PolarHBondContact NE-NE2 2.76Å; R208-H237 PolarHBondContact NH2-NE2 2.87Å; H237-D239 PolarHBondContact O-N 3.43Å; H237-N243 PolarHBondContact O-ND2 2.91Å; H237-Y246 AromaticContact CE1-CD2 3.58Å; H237-Y246 AromaticContact CE1-CG 3.58Å
238	E	96.4	Very high	89.1	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-78.4	54.1	163.8	-76.5	76.9	-131.3	0	0	111.5	D204 F205 R234 G235 N236 F271 L274	D204-E238 PolarHBondContact N-OE2 3.37Å; F205-E238 HydrophobicContact CD2-CG 4.19Å; F205-E238 HydrophobicContact CE2-CG 4.48Å; F205-E238 PolarHBondContact N-OE1 3.16Å; R234-E238 HydrophobicContact CG-CB 3.84Å; R234-E238 PolarHBondContact NE-O 3.08Å; R234-E238 PolarHBondContact NH2-O 3.29Å; G235-E238 VanDerWaalsContact CA-OE2 3.25Å; G235-E238 WeakPolarHBondContact CA-OE2 3.43Å; G235-E238 PolarHBondContact N-OE2 3.09Å; G235-E238 PolarHBondContact O-N 2.92Å; N236-E238 VanDerWaalsContact C-N 3.32Å; E238-F271 HydrophobicContact CB-CB 3.97Å; E238-F271 HydrophobicContact CB-CD1 4.11Å; E238-F271 HydrophobicContact CB-CD2 4.01Å; E238-F271 HydrophobicContact CB-CG 3.78Å; E238-F271 HydrophobicContact CG-CD1 3.73Å; E238-F271 HydrophobicContact CG-CD2 4.18Å; E238-F271 HydrophobicContact CG-CE1 3.86Å; E238-F271 HydrophobicContact CG-CE2 4.29Å; E238-F271 HydrophobicContact CG-CG 3.91Å; E238-F271 HydrophobicContact CG-CZ 4.14Å; E238-L274 HydrophobicContact CB-CD1 4.19Å; E238-L274 HydrophobicContact CG-CD1 3.81Å
239	D	90.1	Very high	88.9	Confident	4 Å²	4	20.5 Å²	20.5	2%	0.021	10%	0.102	C	C	.	.	S	Bend	trans	-143.8	128.8	177	-170.7	-30.8	0	0	0	110.7	H237 I241 M242 N243 S310 A311	H237-D239 PolarHBondContact O-N 3.43Å; D239-I241 PolarHBondContact O-N 3.43Å; D239-I241 PolarHBondContact OD1-N 3.18Å; D239-M242 PolarHBondContact O-N 3.47Å; D239-N243 PolarHBondContact O-N 3.26Å; D239-N243 PolarHBondContact O-OD1 3.46Å; D239-S310 VanDerWaalsContact CG-OG 3.25Å; D239-S310 WeakPolarHBondContact OD1-CB 3.44Å; D239-S310 PolarHBondContact OD1-OG 3.45Å; D239-S310 VanDerWaalsContact OD1-OG 3.12Å; D239-S310 WeakPolarHBondContact OD2-CA 3.37Å; D239-S310 WeakPolarHBondContact OD2-CB 3.45Å; D239-S310 PolarHBondContact OD2-OG 2.88Å; D239-A311 PolarHBondContact OD2-N 3.33Å
240	H	83.5	Confident	88.7	Confident	43 Å²	43	24.6 Å²	24.6	20%	0.199	12%	0.119	C	C	.	.	H	α-helix	trans	-52.9	-28.3	179.3	72.3	-40.2	0	0	0	115.3	L244 Q268	H240-L244 WeakPolarHBondContact O-CB 3.37Å; H240-L244 PolarHBondContact O-N 2.95Å; H240-L244 VanDerWaalsContact O-N 3.13Å; H240-Q268 HydrophobicContact CB-CG 4.08Å; H240-Q268 PolarHBondContact CD2-NE2 2.95Å; H240-Q268 PolarHBondContact NE2-NE2 2.88Å
241	I	80.9	Confident	88.7	Confident	12 Å²	12	25.3 Å²	25.3	6%	0.062	12%	0.122	C	C	.	.	H	α-helix	trans	-72.2	-44.6	177.5	-77.4	170	0	0	0	110.5	L64 D239 L244 R245 L312 R313	L64-I241 HydrophobicContact CD1-CD1 3.87Å; L64-I241 HydrophobicContact CD1-CG2 3.65Å; L64-I241 HydrophobicContact CD2-CD1 4.01Å; D239-I241 PolarHBondContact O-N 3.43Å; D239-I241 PolarHBondContact OD1-N 3.18Å; I241-L244 PolarHBondContact O-N 2.63Å; I241-R245 PolarHBondContact O-N 2.92Å; I241-L312 HydrophobicContact CB-CD1 4.18Å; I241-L312 HydrophobicContact CD1-CB 4.22Å; I241-L312 HydrophobicContact CG2-CB 4.44Å; I241-L312 HydrophobicContact CG2-CD1 3.6Å; I241-R313 HydrophobicContact CD1-CB 4.29Å
242	M	82.3	Confident	88.6	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.1	-45	174.1	-74.7	-69	126.8	0	0	110.2	Q60 D239 L244 R245 Y246 L312 W433	Q60-M242 HydrophobicContact CB-CE 4.03Å; Q60-M242 HydrophobicContact CG-CE 4.11Å; D239-M242 PolarHBondContact O-N 3.47Å; M242-L244 PolarHBondContact O-N 3.05Å; M242-L244 VanDerWaalsContact O-N 3.13Å; M242-R245 PolarHBondContact O-N 3.4Å; M242-Y246 HydrophobicContact CB-CD2 4.47Å; M242-Y246 HydrophobicContact CE-CE2 4.06Å; M242-Y246 WeakPolarHBondContact O-CD2 3.38Å; M242-Y246 PolarHBondContact O-N 3.27Å; M242-Y246 HydrophobicContact SD-CD2 3.71Å; M242-Y246 HydrophobicContact SD-CE2 3.42Å; M242-Y246 WeakPolarHBondContact SD-CE2 3.44Å; M242-L312 HydrophobicContact CE-CD1 3.38Å; M242-L312 HydrophobicContact CG-CD1 3.99Å; M242-L312 HydrophobicContact SD-CD1 4.48Å; M242-W433 HydrophobicContact CE-CH2 3.81Å; M242-W433 HydrophobicContact CE-CZ2 4.19Å; M242-W433 HydrophobicContact CG-CH2 4.49Å; M242-W433 HydrophobicContact CG-CZ2 4.32Å; M242-W433 HydrophobicContact SD-CH2 3.93Å; M242-W433 HydrophobicContact SD-CZ2 4.34Å
243	N	86.5	Confident	88.2	Confident	5 Å²	5	28 Å²	28	3%	0.027	14%	0.136	C	C	.	.	H	α-helix	trans	-58.4	-30.3	178.4	-58.4	154.3	0	0	0	113.9	D207 H237 D239 F248 T249	D207-N243 WeakPolarHBondContact OD1-CA 3.24Å; D207-N243 VanDerWaalsContact OD2-CA 3.27Å; D207-N243 WeakPolarHBondContact OD2-CA 3.38Å; D207-N243 PolarHBondContact OD2-N 2.77Å; D207-N243 PolarHBondContact OD2-ND2 3.44Å; H237-N243 PolarHBondContact O-ND2 2.91Å; D239-N243 PolarHBondContact O-N 3.26Å; D239-N243 PolarHBondContact O-OD1 3.46Å; N243-F248 HydrophobicContact CB-CB 3.97Å; N243-F248 HydrophobicContact CB-CD1 4.02Å; N243-F248 PolarHBondContact O-N 3.39Å; N243-T249 VanDerWaalsContact C-OG1 3.31Å; N243-T249 VanDerWaalsContact O-CB 3.22Å; N243-T249 WeakPolarHBondContact O-CB 3.2Å; N243-T249 PolarHBondContact O-N 2.97Å; N243-T249 PolarHBondContact O-OG1 2.99Å
244	L	78.9	Confident	88	Confident	103 Å²	103	34 Å²	34	54%	0.539	16%	0.164	S	C	.	.	H	α-helix	trans	-71.5	-38.9	176.4	-175	62.9	0	0	0	112.7	L86 H240 I241 M242 T249	L86-L244 HydrophobicContact CD2-CD2 4.22Å; H240-L244 WeakPolarHBondContact O-CB 3.37Å; H240-L244 PolarHBondContact O-N 2.95Å; H240-L244 VanDerWaalsContact O-N 3.13Å; I241-L244 PolarHBondContact O-N 2.63Å; M242-L244 PolarHBondContact O-N 3.05Å; M242-L244 VanDerWaalsContact O-N 3.13Å; L244-T249 HydrophobicContact CD1-CG2 3.95Å
245	R	74.3	Confident	87.8	Confident	103 Å²	103	36.1 Å²	36.1	39%	0.389	17%	0.173	S	C	.	.	H	α-helix	trans	-83.6	-41.5	178.6	-176.2	172.3	-171	161.3	8	112.8	G56 D59 I241 M242	G56-R245 PolarHBondContact O-NH1 3.43Å; D59-R245 IonicContact OD2-CZ 3.15Å; D59-R245 IonicContact OD2-NH1 3.75Å; D59-R245 PolarHBondContact OD2-NH1 3.34Å; D59-R245 IonicContact OD2-NH2 2.72Å; D59-R245 PolarHBondContact OD2-NH2 3.09Å; I241-R245 PolarHBondContact O-N 2.92Å; M242-R245 PolarHBondContact O-N 3.4Å
246	Y	75.3	Confident	87.7	Confident	35 Å²	35	36.9 Å²	36.9	14%	0.137	18%	0.176	C	C	.	.	H	α-helix	trans	-101.7	0.3	-162.8	-66.5	-84.1	0	0	0	116	G56 E57 R208 H237 M242	G56-Y246 PolarHBondContact O-OH 2.82Å; E57-Y246 PolarHBondContact N-OH 3.15Å; E57-Y246 VanDerWaalsContact N-OH 3.16Å; R208-Y246 VanDerWaalsContact CZ-CE1 3.44Å; R208-Y246 PolarHBondContact N-O 2.92Å; H237-Y246 AromaticContact CE1-CD2 3.58Å; H237-Y246 AromaticContact CE1-CG 3.58Å; M242-Y246 HydrophobicContact CB-CD2 4.47Å; M242-Y246 HydrophobicContact CE-CE2 4.06Å; M242-Y246 WeakPolarHBondContact O-CD2 3.38Å; M242-Y246 PolarHBondContact O-N 3.27Å; M242-Y246 HydrophobicContact SD-CD2 3.71Å; M242-Y246 HydrophobicContact SD-CE2 3.42Å; M242-Y246 WeakPolarHBondContact SD-CE2 3.44Å
247	G	81.1	Confident	87.4	Confident	25 Å²	25	45.2 Å²	45.2	26%	0.258	21%	0.212	S	C	.	.	S	Bend	trans	125.1	-19.4	156.6	0	0	0	0	0	116.7	D207 T249 K250 E251	D207-G247 PolarHBondContact OD1-N 3.13Å; G247-T249 PolarHBondContact O-N 3.04Å; G247-K250 CarbonylContact O-C 3.57Å; G247-K250 WeakPolarHBondContact O-CA 3.44Å; G247-K250 WeakPolarHBondContact O-CB 3.42Å; G247-K250 PolarHBondContact O-N 2.84Å; G247-E251 PolarHBondContact O-N 3.48Å
248	F	92.1	Very high	87.1	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-42.9	-175.6	-177.8	-125.2	0	0	0	112.5	V206 D207 V213 V216 N243 K250 E251 V252 L264 F267 F271	V206-F248 HydrophobicContact CB-CB 4.28Å; V206-F248 HydrophobicContact CB-CD1 4.32Å; V206-F248 HydrophobicContact CB-CD2 3.98Å; V206-F248 HydrophobicContact CB-CE2 4.32Å; V206-F248 HydrophobicContact CB-CG 3.95Å; V206-F248 HydrophobicContact CG1-CD1 4.45Å; V206-F248 HydrophobicContact CG1-CD2 3.98Å; V206-F248 HydrophobicContact CG1-CE1 4.31Å; V206-F248 HydrophobicContact CG1-CE2 3.81Å; V206-F248 HydrophobicContact CG1-CG 4.29Å; V206-F248 HydrophobicContact CG1-CZ 3.98Å; V206-F248 HydrophobicContact CG2-CB 4.48Å; V206-F248 HydrophobicContact CG2-CD1 4.24Å; V206-F248 HydrophobicContact CG2-CG 4.26Å; D207-F248 VanDerWaalsContact OD1-CB 3.25Å; D207-F248 WeakPolarHBondContact OD1-CB 3.45Å; D207-F248 PolarHBondContact OD1-N 3.05Å; V213-F248 HydrophobicContact CG2-CE2 3.83Å; V216-F248 HydrophobicContact CG1-CE2 4.42Å; V216-F248 HydrophobicContact CG1-CZ 4.29Å; N243-F248 HydrophobicContact CB-CB 3.97Å; N243-F248 HydrophobicContact CB-CD1 4.02Å; N243-F248 PolarHBondContact O-N 3.39Å; F248-K250 PolarHBondContact O-N 2.89Å; F248-E251 PolarHBondContact O-N 3.23Å; F248-E251 VanDerWaalsContact O-N 3.15Å; F248-V252 HydrophobicContact CD2-CG2 4.01Å; F248-V252 HydrophobicContact CE1-CG2 4.3Å; F248-V252 HydrophobicContact CE2-CG2 3.69Å; F248-V252 HydrophobicContact CG-CG2 4.48Å; F248-V252 HydrophobicContact CZ-CG2 3.85Å; F248-V252 WeakPolarHBondContact O-CG2 3.2Å; F248-V252 PolarHBondContact O-N 3.45Å; F248-L264 HydrophobicContact CD1-CD2 4.49Å; F248-F267 HydrophobicContact CE1-CB 4.25Å; F248-F267 HydrophobicContact CE1-CD1 4.18Å; F248-F267 AromaticContact CE1-CD2 3.98Å; F248-F267 HydrophobicContact CE1-CD2 3.98Å; F248-F267 HydrophobicContact CE1-CE2 4.37Å; F248-F267 AromaticContact CE1-CG 3.9Å; F248-F267 HydrophobicContact CE1-CG 3.9Å; F248-F267 AromaticContact CZ-CD1 3.97Å; F248-F267 HydrophobicContact CZ-CD1 3.97Å; F248-F267 AromaticContact CZ-CD2 3.72Å; F248-F267 HydrophobicContact CZ-CD2 3.72Å; F248-F267 AromaticContact CZ-CE1 3.9Å; F248-F267 HydrophobicContact CZ-CE1 3.9Å; F248-F267 AromaticContact CZ-CE2 3.65Å; F248-F267 HydrophobicContact CZ-CE2 3.65Å; F248-F267 AromaticContact CZ-CG 3.91Å; F248-F267 HydrophobicContact CZ-CG 3.91Å; F248-F267 AromaticContact CZ-CZ 3.75Å; F248-F267 HydrophobicContact CZ-CZ 3.75Å; F248-F271 HydrophobicContact CD1-CE2 4.27Å; F248-F271 AromaticContact CE1-CE2 3.79Å; F248-F271 HydrophobicContact CE1-CE2 3.79Å; F248-F271 AromaticContact CE1-CZ 3.85Å; F248-F271 HydrophobicContact CE1-CZ 3.85Å; F248-F271 HydrophobicContact CZ-CZ 4.29Å
249	T	87.6	Confident	86.8	Confident	31 Å²	31	53.1 Å²	53.1	19%	0.19	26%	0.258	C	S	.	.	H	α-helix	trans	-57	-39.1	173.2	-69.1	0	0	0	0	112	N243 L244 G247 M253 L264	N243-T249 VanDerWaalsContact C-OG1 3.31Å; N243-T249 VanDerWaalsContact O-CB 3.22Å; N243-T249 WeakPolarHBondContact O-CB 3.2Å; N243-T249 PolarHBondContact O-N 2.97Å; N243-T249 PolarHBondContact O-OG1 2.99Å; L244-T249 HydrophobicContact CD1-CG2 3.95Å; G247-T249 PolarHBondContact O-N 3.04Å; T249-M253 WeakPolarHBondContact O-CB 3.14Å; T249-M253 WeakPolarHBondContact O-CG 3.08Å; T249-M253 PolarHBondContact O-N 3.37Å; T249-M253 VanDerWaalsContact O-N 3.15Å; T249-L264 HydrophobicContact CG2-CD1 3.87Å
250	K	85.6	Confident	86.7	Confident	137 Å²	137	52.9 Å²	52.9	60%	0.596	26%	0.257	S	S	*	.	H	α-helix	trans	-72.2	-40.7	177.1	-179.2	178.6	176.1	179.8	0	111.6	G247 F248 Q254	G247-K250 CarbonylContact O-C 3.57Å; G247-K250 WeakPolarHBondContact O-CA 3.44Å; G247-K250 WeakPolarHBondContact O-CB 3.42Å; G247-K250 PolarHBondContact O-N 2.84Å; F248-K250 PolarHBondContact O-N 2.89Å; K250-Q254 HydrophobicContact CG-CG 4.49Å; K250-Q254 VanDerWaalsContact O-CB 3.32Å; K250-Q254 WeakPolarHBondContact O-CB 3.2Å; K250-Q254 VanDerWaalsContact O-CG 3.22Å; K250-Q254 WeakPolarHBondContact O-CG 3.36Å; K250-Q254 PolarHBondContact O-N 3.25Å
251	E	94.9	Very high	86.9	Confident	14 Å²	14	59.9 Å²	59.9	7%	0.065	28%	0.281	C	S	.	.	H	α-helix	trans	-61.3	-49.4	177.7	-163.2	-169.7	121	0	0	111.1	K211 S212 V213 G247 F248 Q254 K255	K211-E251 PolarHBondContact N-OE2 3.49Å; S212-E251 WeakPolarHBondContact CB-OE2 3.28Å; S212-E251 PolarHBondContact N-OE1 3.46Å; S212-E251 PolarHBondContact N-OE2 3.28Å; S212-E251 PolarHBondContact OG-OE2 2.96Å; V213-E251 WeakPolarHBondContact CB-OE1 3.5Å; V213-E251 WeakPolarHBondContact CG2-OE1 3.46Å; V213-E251 PolarHBondContact N-OE1 3.21Å; G247-E251 PolarHBondContact O-N 3.48Å; F248-E251 PolarHBondContact O-N 3.23Å; F248-E251 VanDerWaalsContact O-N 3.15Å; E251-Q254 PolarHBondContact O-N 2.98Å; E251-K255 HydrophobicContact CG-CD 4.16Å; E251-K255 WeakPolarHBondContact O-CG 3.46Å; E251-K255 PolarHBondContact O-N 3.12Å; E251-K255 IonicContact OE1-NZ 3.66Å; E251-K255 PolarHBondContact OE1-NZ 3.39Å
252	V	93.5	Very high	87.4	Confident	0 Å²	0	63 Å²	63	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-45.9	178.6	176.3	0	0	0	0	111.4	V213 F248 Q254 K255 Y256 I263 L264 F267	V213-V252 HydrophobicContact CG2-CG2 3.72Å; F248-V252 HydrophobicContact CD2-CG2 4.01Å; F248-V252 HydrophobicContact CE1-CG2 4.3Å; F248-V252 HydrophobicContact CE2-CG2 3.69Å; F248-V252 HydrophobicContact CG-CG2 4.48Å; F248-V252 HydrophobicContact CZ-CG2 3.85Å; F248-V252 WeakPolarHBondContact O-CG2 3.2Å; F248-V252 PolarHBondContact O-N 3.45Å; V252-Q254 VanDerWaalsContact C-N 3.29Å; V252-Q254 PolarHBondContact O-N 3.35Å; V252-K255 PolarHBondContact O-N 3.29Å; V252-Y256 HydrophobicContact CG1-CD2 4.11Å; V252-Y256 WeakPolarHBondContact O-CB 3.37Å; V252-Y256 PolarHBondContact O-N 3.39Å; V252-I263 HydrophobicContact CG1-CB 4.08Å; V252-I263 HydrophobicContact CG1-CG2 3.64Å; V252-L264 HydrophobicContact CB-CD1 4.48Å; V252-L264 HydrophobicContact CB-CD2 3.92Å; V252-L264 HydrophobicContact CB-CG 4.05Å; V252-L264 HydrophobicContact CG1-CD1 4.4Å; V252-L264 HydrophobicContact CG1-CD2 4.09Å; V252-L264 HydrophobicContact CG1-CG 3.77Å; V252-L264 HydrophobicContact CG2-CD2 4Å; V252-F267 HydrophobicContact CG2-CE2 4.4Å
253	M	90.3	Very high	87.8	Confident	69 Å²	69	63 Å²	63	34%	0.34	30%	0.295	S	S	.	.	H	α-helix	trans	-67.6	-26.3	178.3	-70.4	-64.6	-54.7	0	0	113.4	T249 R261 L264	T249-M253 WeakPolarHBondContact O-CB 3.14Å; T249-M253 WeakPolarHBondContact O-CG 3.08Å; T249-M253 PolarHBondContact O-N 3.37Å; T249-M253 VanDerWaalsContact O-N 3.15Å; M253-R261 HydrophobicContact CE-CG 4.34Å; M253-R261 HydrophobicContact SD-CG 4.07Å; M253-L264 HydrophobicContact CG-CD1 3.88Å; M253-L264 HydrophobicContact SD-CD1 4.12Å
254	Q	92.9	Very high	88.1	Confident	125 Å²	125	64.2 Å²	64.2	58%	0.584	30%	0.302	S	S	*	.	H	α-helix	trans	-77.6	-42.3	174.4	-77.1	-179.1	-22.9	0	0	112.4	K250 E251 V252	K250-Q254 HydrophobicContact CG-CG 4.49Å; K250-Q254 VanDerWaalsContact O-CB 3.32Å; K250-Q254 WeakPolarHBondContact O-CB 3.2Å; K250-Q254 VanDerWaalsContact O-CG 3.22Å; K250-Q254 WeakPolarHBondContact O-CG 3.36Å; K250-Q254 PolarHBondContact O-N 3.25Å; E251-Q254 PolarHBondContact O-N 2.98Å; V252-Q254 VanDerWaalsContact C-N 3.29Å; V252-Q254 PolarHBondContact O-N 3.35Å
255	K	94.1	Very high	88.6	Confident	49 Å²	49	63.3 Å²	63.3	21%	0.213	30%	0.295	C	S	.	.	H	α-helix	trans	-71.8	-39.3	177.8	-69.2	176.2	-178.1	175.6	0	112.1	I135 K210 V213 E214 E251 V252	I135-K255 HydrophobicContact CD1-CG 4.32Å; I135-K255 HydrophobicContact CG2-CB 4.5Å; K210-K255 PolarHBondContact O-NZ 3.24Å; V213-K255 HydrophobicContact CB-CD 4.35Å; V213-K255 HydrophobicContact CG2-CD 4.26Å; E214-K255 IonicContact OE1-NZ 2.76Å; E214-K255 PolarHBondContact OE1-NZ 2.87Å; E214-K255 IonicContact OE2-NZ 2.62Å; E214-K255 PolarHBondContact OE2-NZ 2.73Å; E251-K255 HydrophobicContact CG-CD 4.16Å; E251-K255 WeakPolarHBondContact O-CG 3.46Å; E251-K255 PolarHBondContact O-N 3.12Å; E251-K255 IonicContact OE1-NZ 3.66Å; E251-K255 PolarHBondContact OE1-NZ 3.39Å; V252-K255 PolarHBondContact O-N 3.29Å
256	Y	93.4	Very high	89.5	Confident	15 Å²	15	59.6 Å²	59.6	6%	0.059	28%	0.283	C	S	.	.			trans	-122.1	67.1	-172	-53.8	-66.8	0	0	0	112.5	I135 L136 A138 V141 V213 V252 T258 H259 G260 I263	I135-Y256 HydrophobicContact CG2-CE1 3.73Å; L136-Y256 VanDerWaalsContact O-CE1 3.25Å; L136-Y256 WeakPolarHBondContact O-CE1 3.4Å; L136-Y256 PolarHBondContact O-OH 2.77Å; A138-Y256 HydrophobicContact CB-CD1 3.93Å; A138-Y256 HydrophobicContact CB-CE1 4.45Å; V141-Y256 HydrophobicContact CG2-CE1 4.28Å; V141-Y256 HydrophobicContact CG2-CE2 4.44Å; V213-Y256 HydrophobicContact CG1-CE2 4.04Å; V252-Y256 HydrophobicContact CG1-CD2 4.11Å; V252-Y256 WeakPolarHBondContact O-CB 3.37Å; V252-Y256 PolarHBondContact O-N 3.39Å; Y256-T258 VanDerWaalsContact C-N 3.27Å; Y256-T258 PolarHBondContact O-N 2.93Å; Y256-T258 VanDerWaalsContact O-N 3.1Å; Y256-H259 PolarHBondContact O-N 2.86Å; Y256-G260 WeakPolarHBondContact O-CA 3.45Å; Y256-G260 PolarHBondContact O-N 2.87Å; Y256-I263 HydrophobicContact CD1-CD1 4.08Å; Y256-I263 HydrophobicContact CD2-CD1 3.78Å; Y256-I263 HydrophobicContact CE2-CD1 4.46Å; Y256-I263 HydrophobicContact CG-CD1 3.56Å
257	K	87.1	Confident	90.5	Very high	178 Å²	178	58 Å²	58	77%	0.774	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-40.1	-173.9	-62.9	176	-176.2	172.2	0	114.6
258	T	88.1	Confident	91	Very high	123 Å²	123	57.9 Å²	57.9	76%	0.755	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-49.2	-178.2	-43.4	0	0	0	0	112.6	Y256	Y256-T258 VanDerWaalsContact C-N 3.27Å; Y256-T258 PolarHBondContact O-N 2.93Å; Y256-T258 VanDerWaalsContact O-N 3.1Å
259	H	89.9	Confident	91	Very high	44 Å²	44	59.2 Å²	59.2	20%	0.204	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	1.2	-170.4	-64	-72.8	0	0	0	114.1	A138 L142 Y256 R261 E262 I263	A138-H259 HydrophobicContact CB-CB 4.15Å; L142-H259 HydrophobicContact CD1-CB 4.49Å; Y256-H259 PolarHBondContact O-N 2.86Å; H259-R261 VanDerWaalsContact C-N 3.27Å; H259-R261 PolarHBondContact O-N 2.87Å; H259-R261 VanDerWaalsContact O-N 3.17Å; H259-E262 IonicContact CE1-OE2 3.78Å; H259-E262 IonicContact CG-OE2 3.05Å; H259-E262 IonicContact ND1-OE2 2.73Å; H259-E262 PolarHBondContact ND1-OE2 2.87Å; H259-E262 WeakPolarHBondContact O-CB 3.42Å; H259-E262 PolarHBondContact O-N 2.83Å; H259-I263 HydrophobicContact CB-CD1 4.07Å; H259-I263 HydrophobicContact CB-CG1 4.46Å; H259-I263 WeakPolarHBondContact O-CG1 3.38Å; H259-I263 PolarHBondContact O-N 2.92Å
260	G	89.3	Confident	91.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.2	-32.6	-171.1	0	0	0	0	0	114.2	Y256 L264	Y256-G260 WeakPolarHBondContact O-CA 3.45Å; Y256-G260 PolarHBondContact O-N 2.87Å; G260-L264 WeakPolarHBondContact O-CB 3.36Å; G260-L264 VanDerWaalsContact O-CG 3.25Å; G260-L264 WeakPolarHBondContact O-CG 3.11Å; G260-L264 PolarHBondContact O-N 2.85Å
261	R	87.6	Confident	91.9	Very high	189 Å²	189	51.4 Å²	51.4	71%	0.713	24%	0.24	S	C	*	.	H	α-helix	trans	-67.2	-42.1	173.5	-66.7	-175.1	178.6	-172.6	-0.7	112.4	M253 H259 L264 Q265	M253-R261 HydrophobicContact CE-CG 4.34Å; M253-R261 HydrophobicContact SD-CG 4.07Å; H259-R261 VanDerWaalsContact C-N 3.27Å; H259-R261 PolarHBondContact O-N 2.87Å; H259-R261 VanDerWaalsContact O-N 3.17Å; R261-L264 PolarHBondContact O-N 3.11Å; R261-Q265 WeakPolarHBondContact O-CB 3.42Å; R261-Q265 PolarHBondContact O-N 3.46Å
262	E	89.8	Confident	91.8	Very high	77 Å²	77	51 Å²	51	36%	0.36	24%	0.238	S	C	.	.	H	α-helix	trans	-67.4	-42.8	178.6	-55.9	177.1	142.4	0	0	110.2	L142 H259 Q265 L266	L142-E262 HydrophobicContact CD2-CB 4.32Å; H259-E262 IonicContact CE1-OE2 3.78Å; H259-E262 IonicContact CG-OE2 3.05Å; H259-E262 IonicContact ND1-OE2 2.73Å; H259-E262 PolarHBondContact ND1-OE2 2.87Å; H259-E262 WeakPolarHBondContact O-CB 3.42Å; H259-E262 PolarHBondContact O-N 2.83Å; E262-Q265 PolarHBondContact O-N 2.89Å; E262-L266 WeakPolarHBondContact O-CB 3.43Å; E262-L266 PolarHBondContact O-N 2.82Å
263	I	92.7	Very high	91.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-45.8	175.1	-68.1	167.8	0	0	0	110.9	A138 V141 L142 L145 V252 Y256 H259 L266 F267	A138-I263 HydrophobicContact CB-CD1 4.18Å; V141-I263 HydrophobicContact CB-CD1 4.45Å; V141-I263 HydrophobicContact CG1-CD1 4.08Å; V141-I263 HydrophobicContact CG1-CG1 4.11Å; V141-I263 HydrophobicContact CG1-CG2 3.79Å; L142-I263 HydrophobicContact CD1-CG1 4.38Å; L142-I263 HydrophobicContact CD2-CB 4.38Å; L142-I263 HydrophobicContact CD2-CG1 3.59Å; L142-I263 HydrophobicContact CG-CG1 3.74Å; L145-I263 HydrophobicContact CD1-CG2 4.22Å; V252-I263 HydrophobicContact CG1-CB 4.08Å; V252-I263 HydrophobicContact CG1-CG2 3.64Å; Y256-I263 HydrophobicContact CD1-CD1 4.08Å; Y256-I263 HydrophobicContact CD2-CD1 3.78Å; Y256-I263 HydrophobicContact CE2-CD1 4.46Å; Y256-I263 HydrophobicContact CG-CD1 3.56Å; H259-I263 HydrophobicContact CB-CD1 4.07Å; H259-I263 HydrophobicContact CB-CG1 4.46Å; H259-I263 WeakPolarHBondContact O-CG1 3.38Å; H259-I263 PolarHBondContact O-N 2.92Å; I263-L266 PolarHBondContact O-N 2.65Å; I263-F267 HydrophobicContact CG2-CD2 3.6Å; I263-F267 HydrophobicContact CG2-CE2 3.5Å; I263-F267 VanDerWaalsContact O-CD2 3.3Å; I263-F267 WeakPolarHBondContact O-CD2 3.34Å; I263-F267 PolarHBondContact O-N 3.2Å
264	L	91.9	Very high	92.2	Very high	32 Å²	32	48.4 Å²	48.4	17%	0.168	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-41.5	177.2	-77.1	168.7	0	0	0	113	F248 T249 V252 M253 G260 R261 L266 F267 Q268	F248-L264 HydrophobicContact CD1-CD2 4.49Å; T249-L264 HydrophobicContact CG2-CD1 3.87Å; V252-L264 HydrophobicContact CB-CD1 4.48Å; V252-L264 HydrophobicContact CB-CD2 3.92Å; V252-L264 HydrophobicContact CB-CG 4.05Å; V252-L264 HydrophobicContact CG1-CD1 4.4Å; V252-L264 HydrophobicContact CG1-CD2 4.09Å; V252-L264 HydrophobicContact CG1-CG 3.77Å; V252-L264 HydrophobicContact CG2-CD2 4Å; M253-L264 HydrophobicContact CG-CD1 3.88Å; M253-L264 HydrophobicContact SD-CD1 4.12Å; G260-L264 WeakPolarHBondContact O-CB 3.36Å; G260-L264 VanDerWaalsContact O-CG 3.25Å; G260-L264 WeakPolarHBondContact O-CG 3.11Å; G260-L264 PolarHBondContact O-N 2.85Å; R261-L264 PolarHBondContact O-N 3.11Å; L264-L266 VanDerWaalsContact C-N 3.27Å; L264-L266 PolarHBondContact O-N 3.35Å; L264-F267 PolarHBondContact O-N 3.33Å; L264-Q268 PolarHBondContact O-N 3.39Å
265	Q	90.3	Very high	92.4	Very high	83 Å²	83	42.5 Å²	42.5	39%	0.388	20%	0.198	S	C	.	.	H	α-helix	trans	-64	-36.1	177.1	-174.7	57.1	83.8	0	0	111.5	R261 E262 D269	R261-Q265 WeakPolarHBondContact O-CB 3.42Å; R261-Q265 PolarHBondContact O-N 3.46Å; E262-Q265 PolarHBondContact O-N 2.89Å; Q265-D269 PolarHBondContact O-N 2.86Å
266	L	92.6	Very high	92.5	Very high	26 Å²	26	40.3 Å²	40.3	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-75.4	-35.7	176.6	-167.7	59.1	0	0	0	112.3	L142 L145 K149 E262 I263 L264 D269 V270	L142-L266 HydrophobicContact CD2-CD2 3.99Å; L145-L266 HydrophobicContact CB-CD2 3.57Å; L145-L266 HydrophobicContact CB-CG 3.81Å; L145-L266 HydrophobicContact CD1-CD2 4.45Å; K149-L266 HydrophobicContact CD-CD1 3.63Å; E262-L266 WeakPolarHBondContact O-CB 3.43Å; E262-L266 PolarHBondContact O-N 2.82Å; I263-L266 PolarHBondContact O-N 2.65Å; L264-L266 VanDerWaalsContact C-N 3.27Å; L264-L266 PolarHBondContact O-N 3.35Å; L266-D269 PolarHBondContact O-N 3.33Å; L266-V270 WeakPolarHBondContact O-CG2 3.34Å; L266-V270 PolarHBondContact O-N 2.82Å
267	F	95.6	Very high	92.7	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-59.5	-45.2	169	-91.2	-62.5	0	0	0	111.9	L145 V216 I217 F248 V252 I263 L264 D269 V270 F271	L145-F267 HydrophobicContact CD1-CD1 4.28Å; L145-F267 HydrophobicContact CD1-CD2 3.87Å; L145-F267 HydrophobicContact CD1-CE1 4.19Å; L145-F267 HydrophobicContact CD1-CE2 3.77Å; L145-F267 HydrophobicContact CD1-CG 4.12Å; L145-F267 HydrophobicContact CD1-CZ 3.92Å; L145-F267 HydrophobicContact CD2-CD1 3.66Å; L145-F267 HydrophobicContact CD2-CE1 3.41Å; L145-F267 VanDerWaalsContact CD2-CE1 3.41Å; L145-F267 HydrophobicContact CD2-CE2 4.48Å; L145-F267 HydrophobicContact CD2-CG 4.3Å; L145-F267 HydrophobicContact CD2-CZ 3.85Å; L145-F267 HydrophobicContact CG-CE1 4.39Å; L145-F267 HydrophobicContact CG-CZ 4.41Å; V216-F267 HydrophobicContact CB-CE1 4.41Å; V216-F267 HydrophobicContact CG1-CE1 3.45Å; V216-F267 VanDerWaalsContact CG1-CE1 3.45Å; V216-F267 HydrophobicContact CG1-CZ 3.6Å; V216-F267 HydrophobicContact CG2-CE1 4.03Å; I217-F267 HydrophobicContact CD1-CZ 4.12Å; I217-F267 HydrophobicContact CG1-CZ 4.5Å; F248-F267 HydrophobicContact CE1-CB 4.25Å; F248-F267 HydrophobicContact CE1-CD1 4.18Å; F248-F267 AromaticContact CE1-CD2 3.98Å; F248-F267 HydrophobicContact CE1-CD2 3.98Å; F248-F267 HydrophobicContact CE1-CE2 4.37Å; F248-F267 AromaticContact CE1-CG 3.9Å; F248-F267 HydrophobicContact CE1-CG 3.9Å; F248-F267 AromaticContact CZ-CD1 3.97Å; F248-F267 HydrophobicContact CZ-CD1 3.97Å; F248-F267 AromaticContact CZ-CD2 3.72Å; F248-F267 HydrophobicContact CZ-CD2 3.72Å; F248-F267 AromaticContact CZ-CE1 3.9Å; F248-F267 HydrophobicContact CZ-CE1 3.9Å; F248-F267 AromaticContact CZ-CE2 3.65Å; F248-F267 HydrophobicContact CZ-CE2 3.65Å; F248-F267 AromaticContact CZ-CG 3.91Å; F248-F267 HydrophobicContact CZ-CG 3.91Å; F248-F267 AromaticContact CZ-CZ 3.75Å; F248-F267 HydrophobicContact CZ-CZ 3.75Å; V252-F267 HydrophobicContact CG2-CE2 4.4Å; I263-F267 HydrophobicContact CG2-CD2 3.6Å; I263-F267 HydrophobicContact CG2-CE2 3.5Å; I263-F267 VanDerWaalsContact O-CD2 3.3Å; I263-F267 WeakPolarHBondContact O-CD2 3.34Å; I263-F267 PolarHBondContact O-N 3.2Å; L264-F267 PolarHBondContact O-N 3.33Å; F267-D269 VanDerWaalsContact C-N 3.27Å; F267-D269 PolarHBondContact O-N 3.14Å; F267-V270 PolarHBondContact O-N 2.82Å; F267-F271 HydrophobicContact CB-CE2 4.35Å; F267-F271 HydrophobicContact CB-CZ 4.48Å; F267-F271 AromaticContact CD1-CE1 3.84Å; F267-F271 HydrophobicContact CD1-CE1 3.84Å; F267-F271 HydrophobicContact CD1-CE2 4.39Å; F267-F271 AromaticContact CD1-CZ 3.71Å; F267-F271 HydrophobicContact CD1-CZ 3.71Å; F267-F271 HydrophobicContact CE1-CE1 4.44Å; F267-F271 HydrophobicContact CE1-CZ 4.35Å; F267-F271 HydrophobicContact CG-CZ 4.4Å; F267-F271 WeakPolarHBondContact O-CB 3.4Å; F267-F271 WeakPolarHBondContact O-CG 3.26Å; F267-F271 PolarHBondContact O-N 3.43Å
268	Q	91.9	Very high	93.1	Very high	23 Å²	23	31.3 Å²	31.3	11%	0.107	15%	0.151	C	C	.	.	H	α-helix	trans	-57.6	-41.1	177	-173.4	-171.4	27.6	0	0	111.9	H240 L264 S272 K309	H240-Q268 HydrophobicContact CB-CG 4.08Å; H240-Q268 PolarHBondContact CD2-NE2 2.95Å; H240-Q268 PolarHBondContact NE2-NE2 2.88Å; L264-Q268 PolarHBondContact O-N 3.39Å; Q268-S272 PolarHBondContact O-N 3.19Å; Q268-S272 VanDerWaalsContact O-N 3.09Å; Q268-K309 HydrophobicContact CG-CD 4.35Å
269	D	91.1	Very high	93.5	Very high	28 Å²	28	25.9 Å²	25.9	15%	0.15	12%	0.117	C	C	.	.	H	α-helix	trans	-70.6	-38.2	177	-77.3	4	0	0	0	112.7	K149 Q265 L266 F267 S272 L273 K309	K149-D269 HydrophobicContact CD-CB 4.08Å; K149-D269 IonicContact NZ-OD2 3.12Å; K149-D269 PolarHBondContact NZ-OD2 3.38Å; Q265-D269 PolarHBondContact O-N 2.86Å; L266-D269 PolarHBondContact O-N 3.33Å; F267-D269 VanDerWaalsContact C-N 3.27Å; F267-D269 PolarHBondContact O-N 3.14Å; D269-S272 PolarHBondContact O-OG 3.01Å; D269-L273 VanDerWaalsContact O-CD1 3.29Å; D269-L273 WeakPolarHBondContact O-CD1 3.22Å; D269-L273 VanDerWaalsContact O-CG 3.28Å; D269-L273 WeakPolarHBondContact O-CG 3.08Å; D269-L273 PolarHBondContact O-N 3.46Å; D269-K309 IonicContact OD1-NZ 2.74Å; D269-K309 PolarHBondContact OD1-NZ 2.82Å
270	V	95.8	Very high	93.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.3	-44.9	174.4	164	0	0	0	0	110.5	L145 K149 L152 L220 L266 F267 S272 L273 L274	L145-V270 HydrophobicContact CB-CG2 4.35Å; L145-V270 HydrophobicContact CD2-CG2 4.27Å; L145-V270 WeakPolarHBondContact O-CG2 3.41Å; K149-V270 HydrophobicContact CB-CG2 3.92Å; L152-V270 HydrophobicContact CD1-CG1 3.8Å; L220-V270 HydrophobicContact CD1-CG1 4.09Å; L220-V270 HydrophobicContact CD2-CG1 4.31Å; L266-V270 WeakPolarHBondContact O-CG2 3.34Å; L266-V270 PolarHBondContact O-N 2.82Å; F267-V270 PolarHBondContact O-N 2.82Å; V270-S272 PolarHBondContact O-N 3.21Å; V270-L273 PolarHBondContact O-N 3.1Å; V270-L273 VanDerWaalsContact O-N 3.08Å; V270-L274 PolarHBondContact O-N 2.68Å
271	F	96.4	Very high	93.8	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.018	12%	0.118	C	C	.	.	H	α-helix	trans	-65	-35.9	179.3	-69.5	-12	0	0	0	113	V206 V216 R234 E238 F248 F267 L273 L274	V206-F271 HydrophobicContact CG1-CZ 4.13Å; V206-F271 HydrophobicContact CG2-CE2 4.28Å; V206-F271 HydrophobicContact CG2-CZ 4.24Å; V216-F271 HydrophobicContact CG2-CE1 3.93Å; V216-F271 HydrophobicContact CG2-CZ 4.3Å; R234-F271 VanDerWaalsContact CD-O 3.28Å; R234-F271 WeakPolarHBondContact CD-O 3.41Å; R234-F271 PolarHBondContact NE-O 3.28Å; E238-F271 HydrophobicContact CB-CB 3.97Å; E238-F271 HydrophobicContact CB-CD1 4.11Å; E238-F271 HydrophobicContact CB-CD2 4.01Å; E238-F271 HydrophobicContact CB-CG 3.78Å; E238-F271 HydrophobicContact CG-CD1 3.73Å; E238-F271 HydrophobicContact CG-CD2 4.18Å; E238-F271 HydrophobicContact CG-CE1 3.86Å; E238-F271 HydrophobicContact CG-CE2 4.29Å; E238-F271 HydrophobicContact CG-CG 3.91Å; E238-F271 HydrophobicContact CG-CZ 4.14Å; F248-F271 HydrophobicContact CD1-CE2 4.27Å; F248-F271 AromaticContact CE1-CE2 3.79Å; F248-F271 HydrophobicContact CE1-CE2 3.79Å; F248-F271 AromaticContact CE1-CZ 3.85Å; F248-F271 HydrophobicContact CE1-CZ 3.85Å; F248-F271 HydrophobicContact CZ-CZ 4.29Å; F267-F271 HydrophobicContact CB-CE2 4.35Å; F267-F271 HydrophobicContact CB-CZ 4.48Å; F267-F271 AromaticContact CD1-CE1 3.84Å; F267-F271 HydrophobicContact CD1-CE1 3.84Å; F267-F271 HydrophobicContact CD1-CE2 4.39Å; F267-F271 AromaticContact CD1-CZ 3.71Å; F267-F271 HydrophobicContact CD1-CZ 3.71Å; F267-F271 HydrophobicContact CE1-CE1 4.44Å; F267-F271 HydrophobicContact CE1-CZ 4.35Å; F267-F271 HydrophobicContact CG-CZ 4.4Å; F267-F271 WeakPolarHBondContact O-CB 3.4Å; F267-F271 WeakPolarHBondContact O-CG 3.26Å; F267-F271 PolarHBondContact O-N 3.43Å; F271-L273 PolarHBondContact O-N 3.49Å; F271-L274 HydrophobicContact CD1-CD1 4.08Å; F271-L274 PolarHBondContact O-N 3.21Å
272	S	93.3	Very high	94	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.028	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.7	173.9	78.1	0	0	0	0	114.5	Q268 D269 V270 R305 H306	Q268-S272 PolarHBondContact O-N 3.19Å; Q268-S272 VanDerWaalsContact O-N 3.09Å; D269-S272 PolarHBondContact O-OG 3.01Å; V270-S272 PolarHBondContact O-N 3.21Å; S272-R305 CarbonylContact O-C 3.28Å; S272-H306 WeakPolarHBondContact O-CA 3.31Å; S272-H306 PolarHBondContact O-N 2.84Å
273	L	95.8	Very high	94.2	Very high	13 Å²	13	18.8 Å²	18.8	7%	0.068	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-6.8	177.7	-68.6	167.3	0	0	0	113.9	K149 L152 K153 D269 V270 F271 R305 H306	K149-L273 HydrophobicContact CG-CD1 3.75Å; L152-L273 HydrophobicContact CB-CB 3.78Å; K153-L273 HydrophobicContact CG-CD1 3.9Å; K153-L273 HydrophobicContact CG-CD2 4.02Å; D269-L273 VanDerWaalsContact O-CD1 3.29Å; D269-L273 WeakPolarHBondContact O-CD1 3.22Å; D269-L273 VanDerWaalsContact O-CG 3.28Å; D269-L273 WeakPolarHBondContact O-CG 3.08Å; D269-L273 PolarHBondContact O-N 3.46Å; V270-L273 PolarHBondContact O-N 3.1Å; V270-L273 VanDerWaalsContact O-N 3.08Å; F271-L273 PolarHBondContact O-N 3.49Å; L273-R305 VanDerWaalsContact O-CZ 3.28Å; L273-R305 PolarHBondContact O-NE 3.32Å; L273-R305 PolarHBondContact O-NH2 3.23Å; L273-H306 HydrophobicContact CD2-CB 3.71Å
274	L	97	Very high	94.3	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.01	10%	0.103	C	C	.	.	S	Bend	trans	-59.6	138	171.7	-71.9	171.8	0	0	0	111	L152 F205 L232 R234 E238 V270 F271 R305	L152-L274 HydrophobicContact CD1-CD2 4.06Å; L152-L274 HydrophobicContact CD2-CD2 4Å; F205-L274 HydrophobicContact CE2-CD1 4.1Å; L232-L274 HydrophobicContact CB-CD2 3.88Å; L232-L274 HydrophobicContact CD1-CD2 4.36Å; R234-L274 HydrophobicContact CB-CB 3.74Å; R234-L274 HydrophobicContact CB-CD1 4.34Å; R234-L274 HydrophobicContact CG-CB 4.19Å; R234-L274 HydrophobicContact CG-CD1 4.29Å; E238-L274 HydrophobicContact CB-CD1 4.19Å; E238-L274 HydrophobicContact CG-CD1 3.81Å; V270-L274 PolarHBondContact O-N 2.68Å; F271-L274 HydrophobicContact CD1-CD1 4.08Å; F271-L274 PolarHBondContact O-N 3.21Å; L274-R305 VanDerWaalsContact O-CD 3.29Å; L274-R305 WeakPolarHBondContact O-CD 3.28Å; L274-R305 PolarHBondContact O-NE 2.64Å
275	P	97.1	Very high	94.6	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.013	10%	0.095	C	C	.	.			trans	-51.9	151.7	165.4	-26.5	34.2	0	0	0	112.1	M155 V159 L232 N233 R234	M155-P275 HydrophobicContact CB-CG 4.36Å; M155-P275 HydrophobicContact CE-CG 4.19Å; V159-P275 HydrophobicContact CG2-CB 3.8Å; V159-P275 HydrophobicContact CG2-CG 3.71Å; L232-P275 WeakPolarHBondContact O-CD 3.44Å; N233-P275 CarbonylContact C-O 3.53Å; N233-P275 WeakPolarHBondContact CA-O 3.44Å; R234-P275 WeakPolarHBondContact CB-O 3.43Å; R234-P275 PolarHBondContact N-O 3.41Å
276	I	95.8	Very high	94.9	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.015	8%	0.076	C	C	.	.	S	Bend	trans	-107	-14	-176.4	58.9	-179.6	0	0	0	113.1	N157 R234 L300 I428 I431	N157-I276 HydrophobicContact CB-CD1 4.33Å; N157-I276 HydrophobicContact CB-CG1 4.21Å; N157-I276 WeakPolarHBondContact O-CG1 3.23Å; N157-I276 PolarHBondContact O-N 3.32Å; R234-I276 HydrophobicContact CB-CG2 4.41Å; I276-L300 HydrophobicContact CD1-CD2 3.52Å; I276-I428 HydrophobicContact CD1-CG1 4.04Å; I276-I431 HydrophobicContact CB-CG2 4.31Å; I276-I431 WeakPolarHBondContact O-CG2 3.3Å
277	A	96.7	Very high	95.2	Very high	3 Å²	3	12.2 Å²	12.2	3%	0.025	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	160.5	172.9	0	0	0	0	0	111.4	N157 I158 V159 N233 L285 I286 V287	N157-A277 PolarHBondContact O-N 3.2Å; I158-A277 WeakPolarHBondContact CA-O 3.33Å; I158-A277 HydrophobicContact CG1-CB 4.28Å; I158-A277 HydrophobicContact CG2-CB 4.25Å; V159-A277 PolarHBondContact N-O 2.83Å; N233-A277 VanDerWaalsContact OD1-C 3.27Å; N233-A277 PolarHBondContact OD1-O 2.72Å; A277-L285 HydrophobicContact CB-CD1 4.12Å; A277-I286 CarbonylContact C-O 3.46Å; A277-I286 VanDerWaalsContact CA-O 3.29Å; A277-I286 WeakPolarHBondContact CA-O 3.27Å; A277-V287 HydrophobicContact CB-CG1 3.9Å
278	T	97	Very high	95.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.3	168.6	-67.3	0	0	0	0	109.3	V159 L161 I200 N233 I286	V159-T278 HydrophobicContact CB-CG2 4.36Å; V159-T278 CarbonylContact O-C 3.14Å; V159-T278 VanDerWaalsContact O-CA 3.3Å; V159-T278 WeakPolarHBondContact O-CA 3.28Å; L161-T278 HydrophobicContact CD1-CG2 3.54Å; L161-T278 HydrophobicContact CG-CG2 3.99Å; I200-T278 HydrophobicContact CD1-CG2 3.92Å; N233-T278 PolarHBondContact OD1-OG1 3.43Å; T278-I286 PolarHBondContact N-O 3.28Å; T278-I286 PolarHBondContact O-N 2.94Å
279	V	96.1	Very high	95.5	Very high	9 Å²	9	11 Å²	11	6%	0.055	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.5	178.5	174.1	0	0	0	0	109.8	I158 V159 H160 L161 I284 L285 L468	I158-V279 HydrophobicContact CG2-CB 4.42Å; I158-V279 HydrophobicContact CG2-CG2 3.72Å; V159-V279 PolarHBondContact O-N 3.33Å; H160-V279 WeakPolarHBondContact CA-O 3.5Å; L161-V279 PolarHBondContact N-O 2.76Å; V279-I284 CarbonylContact C-O 3.5Å; V279-I284 VanDerWaalsContact CA-O 3.3Å; V279-I284 WeakPolarHBondContact CA-O 3.25Å; V279-L285 HydrophobicContact CG2-CD1 3.72Å; V279-L468 HydrophobicContact CG1-CD2 4.44Å
280	I	93.7	Very high	95.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.4	178	-52.3	176.7	0	0	0	109.5	L161 T163 T170 I200 A282 K283 I284 I286 L512 L516	L161-I280 HydrophobicContact CB-CG1 4.46Å; T163-I280 HydrophobicContact CG2-CG2 3.87Å; T170-I280 HydrophobicContact CG2-CD1 4.38Å; I200-I280 HydrophobicContact CD1-CD1 3.79Å; I200-I280 HydrophobicContact CD1-CG1 4.3Å; I280-A282 PolarHBondContact O-N 3.04Å; I280-K283 PolarHBondContact O-N 3.29Å; I280-I284 HydrophobicContact CB-CB 4.28Å; I280-I284 PolarHBondContact N-O 3.2Å; I280-I284 PolarHBondContact O-N 3.22Å; I280-I284 VanDerWaalsContact O-N 3.08Å; I280-I286 HydrophobicContact CD1-CD1 3.72Å; I280-I286 HydrophobicContact CG1-CD1 4.27Å; I280-L512 HydrophobicContact CD1-CD1 3.69Å; I280-L516 HydrophobicContact CG2-CD2 4.03Å
281	D	91.1	Very high	95.7	Very high	41 Å²	41	9.7 Å²	9.7	22%	0.219	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	24.2	174.9	-71	-61.8	0	0	0	115.1	L161 S162 T163 K283 L516	L161-D281 PolarHBondContact O-N 2.91Å; S162-D281 WeakPolarHBondContact CA-OD1 3.31Å; S162-D281 WeakPolarHBondContact CB-OD1 3.23Å; S162-D281 PolarHBondContact OG-OD1 3.27Å; T163-D281 WeakPolarHBondContact CB-OD2 3.35Å; T163-D281 WeakPolarHBondContact CG2-OD2 3.48Å; T163-D281 PolarHBondContact N-OD1 3.45Å; T163-D281 PolarHBondContact N-OD2 2.62Å; T163-D281 PolarHBondContact OG1-OD2 3.5Å; D281-K283 PolarHBondContact O-N 2.75Å; D281-L516 HydrophobicContact CB-CD1 3.95Å
282	A	91.9	Very high	95.6	Very high	55 Å²	55	9.6 Å²	9.6	46%	0.455	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	32.5	-169.9	0	0	0	0	0	113.6	I280	I280-A282 PolarHBondContact O-N 3.04Å
283	K	94	Very high	95.5	Very high	66 Å²	66	13.5 Å²	13.5	29%	0.287	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-36.5	175.9	-59.9	-62	142.6	-126.4	0	114	I280 D281 G467 Q469 L470 L516	I280-K283 PolarHBondContact O-N 3.29Å; D281-K283 PolarHBondContact O-N 2.75Å; K283-G467 PolarHBondContact NZ-O 2.98Å; K283-Q469 HydrophobicContact CB-CG 4.4Å; K283-Q469 HydrophobicContact CD-CG 3.99Å; K283-Q469 PolarHBondContact O-N 2.75Å; K283-L470 PolarHBondContact O-N 3.13Å; K283-L516 HydrophobicContact CB-CD1 3.94Å; K283-L516 HydrophobicContact CG-CD1 4.03Å
284	I	95.6	Very high	95.3	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.01	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.4	-179.9	-51.6	179	0	0	0	108.8	V279 I280 I286 L470 I472 L512 L516	V279-I284 CarbonylContact C-O 3.5Å; V279-I284 VanDerWaalsContact CA-O 3.3Å; V279-I284 WeakPolarHBondContact CA-O 3.25Å; I280-I284 HydrophobicContact CB-CB 4.28Å; I280-I284 PolarHBondContact N-O 3.2Å; I280-I284 PolarHBondContact O-N 3.22Å; I280-I284 VanDerWaalsContact O-N 3.08Å; I284-I286 HydrophobicContact CG2-CD1 4.46Å; I284-I286 HydrophobicContact CG2-CG1 4Å; I284-L470 WeakPolarHBondContact CA-O 3.43Å; I284-L470 HydrophobicContact CD1-CD2 4.19Å; I284-L470 HydrophobicContact CG1-CB 4.23Å; I284-L470 HydrophobicContact CG1-CD2 4.27Å; I284-L470 HydrophobicContact CG2-CB 4.34Å; I284-L470 HydrophobicContact CG2-CD2 4.28Å; I284-L470 HydrophobicContact CG2-CG 4.42Å; I284-I472 HydrophobicContact CG2-CD1 3.64Å; I284-I472 HydrophobicContact CG2-CG1 3.84Å; I284-L512 HydrophobicContact CD1-CD1 3.7Å; I284-L512 HydrophobicContact CD1-CD2 3.67Å; I284-L512 HydrophobicContact CD1-CG 4.32Å; I284-L516 HydrophobicContact CD1-CB 4.15Å; I284-L516 HydrophobicContact CD1-CD2 4.17Å
285	L	97.3	Very high	95.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.1	168.7	173.4	62.6	0	0	0	109.2	A277 V279 V287 L297 L462 L468 L470 L471 I472	A277-L285 HydrophobicContact CB-CD1 4.12Å; V279-L285 HydrophobicContact CG2-CD1 3.72Å; L285-V287 HydrophobicContact CD1-CG1 3.94Å; L285-V287 HydrophobicContact CD2-CG1 4.38Å; L285-V287 HydrophobicContact CG-CG1 4Å; L285-L297 HydrophobicContact CD1-CD2 4.39Å; L285-L297 HydrophobicContact CD2-CD1 4.34Å; L285-L297 HydrophobicContact CD2-CD2 4.01Å; L285-L462 HydrophobicContact CD2-CD2 3.97Å; L285-L468 HydrophobicContact CB-CD1 3.84Å; L285-L468 HydrophobicContact CB-CD2 4.47Å; L285-L468 HydrophobicContact CD2-CD1 4.17Å; L285-L470 PolarHBondContact N-O 2.92Å; L285-L471 HydrophobicContact CB-CD1 4.12Å; L285-L471 HydrophobicContact CD2-CD1 3.88Å; L285-L471 HydrophobicContact CG-CD1 3.83Å; L285-L471 CarbonylContact O-C 3.44Å; L285-L471 WeakPolarHBondContact O-CA 3.39Å; L285-I472 PolarHBondContact O-N 3.43Å
286	I	97.8	Very high	94.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119.6	179.7	-48.3	-170.3	0	0	0	108.6	I200 N202 N233 A277 T278 I280 I284 I472	I200-I286 HydrophobicContact CD1-CD1 3.85Å; N202-I286 HydrophobicContact CB-CG2 4.21Å; N233-I286 PolarHBondContact ND2-O 3.07Å; A277-I286 CarbonylContact C-O 3.46Å; A277-I286 VanDerWaalsContact CA-O 3.29Å; A277-I286 WeakPolarHBondContact CA-O 3.27Å; T278-I286 PolarHBondContact N-O 3.28Å; T278-I286 PolarHBondContact O-N 2.94Å; I280-I286 HydrophobicContact CD1-CD1 3.72Å; I280-I286 HydrophobicContact CG1-CD1 4.27Å; I284-I286 HydrophobicContact CG2-CD1 4.46Å; I284-I286 HydrophobicContact CG2-CG1 4Å; I286-I472 WeakPolarHBondContact CA-O 3.18Å; I286-I472 HydrophobicContact CD1-CD1 4.39Å; I286-I472 HydrophobicContact CG1-CB 4.19Å; I286-I472 HydrophobicContact CG2-CB 4.38Å
287	V	97.7	Very high	94.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.4	-178.2	-62.9	0	0	0	0	108.6	N202 A277 L285 I431 L471 I472 R473	N202-V287 PolarHBondContact ND2-O 3.44Å; N202-V287 VanDerWaalsContact OD1-C 3.31Å; A277-V287 HydrophobicContact CB-CG1 3.9Å; L285-V287 HydrophobicContact CD1-CG1 3.94Å; L285-V287 HydrophobicContact CD2-CG1 4.38Å; L285-V287 HydrophobicContact CG-CG1 4Å; V287-I431 HydrophobicContact CB-CG2 4.3Å; V287-I431 HydrophobicContact CG1-CD1 3.97Å; V287-I431 HydrophobicContact CG1-CG2 4.38Å; V287-L471 HydrophobicContact CG2-CD1 3.84Å; V287-I472 PolarHBondContact N-O 3.5Å; V287-I472 VanDerWaalsContact N-O 3.11Å; V287-R473 HydrophobicContact CG2-CB 4.24Å; V287-R473 WeakPolarHBondContact O-CA 3.09Å; V287-R473 WeakPolarHBondContact O-CB 3.29Å
288	H	97.8	Very high	94.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-68.4	-58.5	-179.8	171.2	82.8	0	0	0	112.1	D175 N202 D204 R234 G235 N236 L432 R473 S474 H475	D175-H288 IonicContact OD1-CE1 3.8Å; D175-H288 PolarHBondContact OD1-CE1 2.88Å; D175-H288 IonicContact OD1-ND1 2.84Å; D175-H288 PolarHBondContact OD1-ND1 3.18Å; N202-H288 PolarHBondContact O-ND1 3.09Å; N202-H288 PolarHBondContact OD1-N 2.78Å; D204-H288 IonicContact OD1-CE1 3.25Å; D204-H288 PolarHBondContact OD1-CE1 2.96Å; D204-H288 IonicContact OD1-NE2 3.96Å; D204-H288 IonicContact OD2-CE1 2.68Å; D204-H288 IonicContact OD2-NE2 3.97Å; R234-H288 VanDerWaalsContact O-CB 3.31Å; R234-H288 WeakPolarHBondContact O-CB 3.19Å; G235-H288 VanDerWaalsContact CA-CG 3.4Å; N236-H288 PolarHBondContact OD1-NE2 2.79Å; H288-L432 HydrophobicContact CB-CD2 4.44Å; H288-L432 PolarHBondContact CD2-O 3.13Å; H288-R473 PolarHBondContact O-NH2 3.13Å; H288-S474 PolarHBondContact O-N 3.28Å; H288-H475 AromaticContact CD2-ND1 3.93Å; H288-H475 PolarHBondContact CE1-N 2.81Å; H288-H475 WeakPolarHBondContact NE2-CB 3.4Å; H288-H475 AromaticContact NE2-CG 3.54Å; H288-H475 AromaticContact NE2-ND1 3.15Å; H288-H475 PolarHBondContact NE2-ND1 3Å; H288-H475 VanDerWaalsContact NE2-ND1 3.15Å
289	G	95.8	Very high	94.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-79.2	-97.4	178.3	0	0	0	0	0	111.4	I431 S434 R473	G289-I431 CarbonylContact C-O 3.48Å; G289-I431 WeakPolarHBondContact CA-O 3.12Å; G289-I431 PolarHBondContact N-O 3.38Å; G289-S434 CarbonylContact C-O 3.56Å; G289-R473 VanDerWaalsContact O-CB 3.24Å; G289-R473 WeakPolarHBondContact O-CB 3.2Å; G289-R473 PolarHBondContact O-NE 3.14Å; G289-R473 PolarHBondContact O-NH2 3.35Å
290	G	94.6	Very high	94.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.			trans	-163.2	-143.7	-172.5	0	0	0	0	0	113.7	I431 S434	G290-I431 PolarHBondContact N-O 2.97Å; G290-I431 WeakPolarHBondContact O-CD1 3.37Å; G290-S434 WeakPolarHBondContact CA-O 3.34Å; G290-S434 PolarHBondContact N-O 3.37Å
291	I	96.4	Very high	94.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.			trans	-138.3	165.9	178.9	60.5	172.4	0	0	0	109.4	T295 C452 F454 V458 L462 L471	I291-T295 HydrophobicContact CB-CG2 4.47Å; I291-T295 HydrophobicContact CG2-CG2 4.28Å; I291-C452 PolarHBondContact O-SG 2.95Å; I291-C452 VanDerWaalsContact O-SG 3.33Å; I291-F454 HydrophobicContact CD1-CD2 4.05Å; I291-F454 HydrophobicContact CD1-CE2 4.2Å; I291-F454 HydrophobicContact CG1-CB 4.44Å; I291-F454 HydrophobicContact CG1-CD1 4.24Å; I291-F454 HydrophobicContact CG1-CD2 3.54Å; I291-F454 HydrophobicContact CG1-CE1 4.4Å; I291-F454 HydrophobicContact CG1-CE2 3.72Å; I291-F454 HydrophobicContact CG1-CG 3.83Å; I291-F454 HydrophobicContact CG1-CZ 4.15Å; I291-F454 VanDerWaalsContact O-CB 3.31Å; I291-F454 WeakPolarHBondContact O-CB 3.27Å; I291-F454 WeakPolarHBondContact O-CD1 3.27Å; I291-F454 VanDerWaalsContact O-CG 3.29Å; I291-F454 WeakPolarHBondContact O-CG 3.48Å; I291-V458 HydrophobicContact CD1-CG1 4.1Å; I291-V458 HydrophobicContact CG1-CG1 4.28Å; I291-L462 HydrophobicContact CB-CD1 4.31Å; I291-L462 HydrophobicContact CD1-CB 4.06Å; I291-L462 HydrophobicContact CD1-CD1 4.32Å; I291-L462 HydrophobicContact CD1-CD2 4.18Å; I291-L462 HydrophobicContact CD1-CG 4.41Å; I291-L462 HydrophobicContact CG2-CD1 4.13Å; I291-L462 HydrophobicContact CG2-CD2 4.29Å; I291-L471 HydrophobicContact CD1-CD2 4.19Å; I291-L471 HydrophobicContact CG1-CD2 4.25Å; I291-L471 HydrophobicContact CG2-CD1 4.42Å; I291-L471 HydrophobicContact CG2-CD2 4.21Å
292	S	95.1	Very high	94.1	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	19%	0.194	C	C	.	.			trans	-124.6	173	169.1	67.6	0	0	0	0	110.8	Q294 T295 D430 C452 V458	S292-Q294 PolarHBondContact O-N 3.2Å; S292-Q294 PolarHBondContact OG-N 2.93Å; S292-T295 PolarHBondContact N-OG1 3.04Å; S292-T295 PolarHBondContact O-N 3.06Å; S292-T295 PolarHBondContact O-OG1 3.19Å; S292-T295 PolarHBondContact OG-N 2.93Å; S292-T295 PolarHBondContact OG-OG1 3.16Å; S292-D430 WeakPolarHBondContact CB-OD2 3.14Å; S292-D430 PolarHBondContact OG-OD2 3.2Å; S292-C452 WeakPolarHBondContact CB-SG 3.22Å; S292-V458 VanDerWaalsContact C-CG1 3.46Å; S292-V458 WeakPolarHBondContact O-CG1 3.47Å
293	D	91.8	Very high	94	Very high	85 Å²	85	32.3 Å²	32.3	46%	0.455	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.6	169.8	61	-36	0	0	0	113.7	C442	D293-C442 HydrophobicContact CB-CB 3.7Å; D293-C442 VanDerWaalsContact CG-CB 3.41Å; D293-C442 WeakPolarHBondContact OD1-CB 3.49Å; D293-C442 PolarHBondContact OD1-SG 3.19Å
294	Q	91.6	Very high	93.7	Very high	111 Å²	111	33.9 Å²	33.9	52%	0.519	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	1.1	179.1	-60.1	179.7	12.4	0	0	113.1	S292 D296 Q427	S292-Q294 PolarHBondContact O-N 3.2Å; S292-Q294 PolarHBondContact OG-N 2.93Å; Q294-D296 PolarHBondContact O-N 2.96Å; Q294-Q427 PolarHBondContact O-NE2 2.8Å
295	T	93.6	Very high	93.3	Very high	8 Å²	8	34.7 Å²	34.7	5%	0.049	19%	0.185	C	C	.	.			trans	-61.2	129.3	-177	-66.4	0	0	0	0	111.9	I291 S292 L297 L300 I431 L462	I291-T295 HydrophobicContact CB-CG2 4.47Å; I291-T295 HydrophobicContact CG2-CG2 4.28Å; S292-T295 PolarHBondContact N-OG1 3.04Å; S292-T295 PolarHBondContact O-N 3.06Å; S292-T295 PolarHBondContact O-OG1 3.19Å; S292-T295 PolarHBondContact OG-N 2.93Å; S292-T295 PolarHBondContact OG-OG1 3.16Å; T295-L297 HydrophobicContact CG2-CD2 4.4Å; T295-L300 HydrophobicContact CG2-CD1 3.87Å; T295-I431 HydrophobicContact CG2-CD1 4.13Å; T295-L462 HydrophobicContact CG2-CD1 3.56Å
296	D	92.4	Very high	92.6	Very high	42 Å²	42	38.9 Å²	38.9	23%	0.225	20%	0.204	C	C	.	.			trans	-133	114.9	178.8	-165.2	-66.2	0	0	0	111.3	Q294 E298 L299 L300 K465	Q294-D296 PolarHBondContact O-N 2.96Å; D296-E298 VanDerWaalsContact C-N 3.32Å; D296-E298 PolarHBondContact O-N 2.99Å; D296-E298 WeakPolarHBondContact OD1-CA 3.45Å; D296-E298 WeakPolarHBondContact OD1-CB 3.41Å; D296-E298 PolarHBondContact OD1-N 3.43Å; D296-L299 HydrophobicContact CB-CB 4.11Å; D296-L299 PolarHBondContact OD1-N 2.97Å; D296-L299 VanDerWaalsContact OD1-N 3.09Å; D296-L300 WeakPolarHBondContact O-CB 3.45Å; D296-L300 WeakPolarHBondContact O-CD1 3.44Å; D296-L300 VanDerWaalsContact O-CG 3.3Å; D296-L300 WeakPolarHBondContact O-CG 3.23Å; D296-L300 PolarHBondContact O-N 2.95Å; D296-K465 IonicContact OD2-NZ 2.76Å; D296-K465 PolarHBondContact OD2-NZ 3.31Å
297	L	92.9	Very high	91.8	Very high	20 Å²	20	44.6 Å²	44.6	11%	0.105	23%	0.229	C	C	.	.	H	α-helix	trans	-70.4	-26.3	-176.3	-57.8	-176.7	0	0	0	113	I158 L285 T295 L300 S301 H466 L468	I158-L297 HydrophobicContact CD1-CB 4.29Å; I158-L297 WeakPolarHBondContact CD1-O 3.3Å; L285-L297 HydrophobicContact CD1-CD2 4.39Å; L285-L297 HydrophobicContact CD2-CD1 4.34Å; L285-L297 HydrophobicContact CD2-CD2 4.01Å; T295-L297 HydrophobicContact CG2-CD2 4.4Å; L297-L300 HydrophobicContact CD2-CD1 4.1Å; L297-S301 PolarHBondContact O-N 3.47Å; L297-H466 HydrophobicContact CD1-CB 4.04Å; L297-L468 HydrophobicContact CD1-CD1 4.18Å
298	E	91.8	Very high	90.9	Very high	137 Å²	137	45.1 Å²	45.1	64%	0.64	23%	0.232	S	C	*	.	H	α-helix	trans	-73.9	-47.3	178.3	-63.6	171.1	-152.2	0	0	109.2	D296 L300 S301 S302	D296-E298 VanDerWaalsContact C-N 3.32Å; D296-E298 PolarHBondContact O-N 2.99Å; D296-E298 WeakPolarHBondContact OD1-CA 3.45Å; D296-E298 WeakPolarHBondContact OD1-CB 3.41Å; D296-E298 PolarHBondContact OD1-N 3.43Å; E298-L300 PolarHBondContact O-N 3.22Å; E298-S301 WeakPolarHBondContact O-CB 3.44Å; E298-S301 PolarHBondContact O-N 3.17Å; E298-S301 VanDerWaalsContact O-N 3.14Å; E298-S301 PolarHBondContact O-OG 3.23Å; E298-S302 PolarHBondContact O-N 3.35Å
299	L	91.3	Very high	89.9	Confident	49 Å²	49	48.8 Å²	48.8	26%	0.257	25%	0.248	S	C	.	.	H	α-helix	trans	-59.5	-46.3	171.6	-179.5	58.8	0	0	0	111.3	D296 S301 S302 I303 E424 Q427	D296-L299 HydrophobicContact CB-CB 4.11Å; D296-L299 PolarHBondContact OD1-N 2.97Å; D296-L299 VanDerWaalsContact OD1-N 3.09Å; L299-S301 PolarHBondContact O-N 3.09Å; L299-S302 PolarHBondContact O-N 2.75Å; L299-S302 PolarHBondContact O-OG 2.92Å; L299-I303 WeakPolarHBondContact O-CG1 3.36Å; L299-I303 PolarHBondContact O-N 3.32Å; L299-E424 HydrophobicContact CD1-CG 4.18Å; L299-Q427 HydrophobicContact CD2-CG 3.86Å; L299-Q427 HydrophobicContact CG-CG 4.38Å
300	L	92.6	Very high	89.2	Confident	2 Å²	2	49 Å²	49	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-57.6	-32.5	176.2	-82.2	161.5	0	0	0	113	N157 I158 I276 T295 D296 L297 E298 S302 I303 Q427 I431	N157-L300 VanDerWaalsContact CB-O 3.29Å; N157-L300 WeakPolarHBondContact CB-O 3.26Å; N157-L300 PolarHBondContact ND2-O 2.82Å; I158-L300 HydrophobicContact CD1-CB 4.19Å; I276-L300 HydrophobicContact CD1-CD2 3.52Å; T295-L300 HydrophobicContact CG2-CD1 3.87Å; D296-L300 WeakPolarHBondContact O-CB 3.45Å; D296-L300 WeakPolarHBondContact O-CD1 3.44Å; D296-L300 VanDerWaalsContact O-CG 3.3Å; D296-L300 WeakPolarHBondContact O-CG 3.23Å; D296-L300 PolarHBondContact O-N 2.95Å; L297-L300 HydrophobicContact CD2-CD1 4.1Å; E298-L300 PolarHBondContact O-N 3.22Å; L300-S302 VanDerWaalsContact C-N 3.32Å; L300-S302 PolarHBondContact O-N 3.01Å; L300-I303 HydrophobicContact CD2-CD1 4.21Å; L300-Q427 HydrophobicContact CD2-CB 3.78Å; L300-Q427 HydrophobicContact CG-CB 4.1Å; L300-I431 HydrophobicContact CD1-CD1 3.72Å; L300-I431 HydrophobicContact CD1-CG1 3.68Å; L300-I431 HydrophobicContact CD2-CG1 3.73Å; L300-I431 HydrophobicContact CG-CG1 4.39Å
301	S	93	Very high	88.4	Confident	70 Å²	70	49.2 Å²	49.2	49%	0.49	25%	0.251	S	S	.	.	H	α-helix	trans	-67.1	-31.1	176.4	81.5	0	0	0	0	113.1	N157 L297 E298 L299	N157-S301 PolarHBondContact ND2-O 3.27Å; L297-S301 PolarHBondContact O-N 3.47Å; E298-S301 WeakPolarHBondContact O-CB 3.44Å; E298-S301 PolarHBondContact O-N 3.17Å; E298-S301 VanDerWaalsContact O-N 3.14Å; E298-S301 PolarHBondContact O-OG 3.23Å; L299-S301 PolarHBondContact O-N 3.09Å
302	S	91.4	Very high	87.3	Confident	79 Å²	79	49.9 Å²	49.9	55%	0.552	26%	0.255	S	S	*	.	H	α-helix	trans	-95.1	-13	-173.2	61.2	0	0	0	0	115.8	E298 L299 L300 E304	E298-S302 PolarHBondContact O-N 3.35Å; L299-S302 PolarHBondContact O-N 2.75Å; L299-S302 PolarHBondContact O-OG 2.92Å; L300-S302 VanDerWaalsContact C-N 3.32Å; L300-S302 PolarHBondContact O-N 3.01Å; S302-E304 PolarHBondContact O-N 3.18Å
303	I	90.1	Very high	86	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.031	27%	0.266	C	S	.	.			trans	-61.5	136	-176	-65.2	164	0	0	0	111.7	N157 L299 L300 R305 E424 Q427 I428	N157-I303 PolarHBondContact ND2-N 2.9Å; N157-I303 PolarHBondContact ND2-O 3.33Å; N157-I303 PolarHBondContact OD1-O 2.87Å; L299-I303 WeakPolarHBondContact O-CG1 3.36Å; L299-I303 PolarHBondContact O-N 3.32Å; L300-I303 HydrophobicContact CD2-CD1 4.21Å; I303-R305 PolarHBondContact O-N 3.32Å; I303-E424 HydrophobicContact CD1-CB 4.08Å; I303-E424 HydrophobicContact CD1-CG 4.41Å; I303-E424 HydrophobicContact CG1-CB 3.92Å; I303-E424 HydrophobicContact CG1-CG 3.89Å; I303-E424 HydrophobicContact CG2-CB 4.34Å; I303-Q427 HydrophobicContact CD1-CB 3.96Å; I303-I428 HydrophobicContact CD1-CD1 4.45Å; I303-I428 HydrophobicContact CD1-CG1 4.26Å; I303-I428 HydrophobicContact CG2-CD1 3.69Å
304	E	86.9	Confident	84.6	Confident	99 Å²	99	52.3 Å²	52.3	46%	0.463	26%	0.259	S	S	.	.			trans	-75.1	70.8	171.3	-69.1	-179.9	87.4	0	0	111.7	S302 H306 K307	S302-E304 PolarHBondContact O-N 3.18Å; E304-H306 PolarHBondContact O-N 2.93Å; E304-H306 IonicContact OE1-CE1 2.73Å; E304-K307 HydrophobicContact CB-CD 3.92Å; E304-K307 HydrophobicContact CB-CG 4.11Å; E304-K307 VanDerWaalsContact CD-CE 3.43Å; E304-K307 WeakPolarHBondContact O-CB 3.48Å; E304-K307 PolarHBondContact O-N 2.94Å; E304-K307 WeakPolarHBondContact OE1-CE 3.42Å; E304-K307 IonicContact OE1-NZ 3.54Å; E304-K307 PolarHBondContact OE1-NZ 2.99Å; E304-K307 WeakPolarHBondContact OE2-CE 3.36Å; E304-K307 IonicContact OE2-NZ 3.57Å; E304-K307 PolarHBondContact OE2-NZ 3.47Å
305	R	87.1	Confident	82.7	Confident	18 Å²	18	48.2 Å²	48.2	7%	0.068	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-50.3	-31.5	-170.8	66.3	177.5	-172.2	-77.6	1.1	114.7	L152 M155 N157 S272 L273 L274 I303 K307 V308 I428	L152-R305 PolarHBondContact O-NH2 2.81Å; M155-R305 PolarHBondContact O-NH1 3.48Å; M155-R305 PolarHBondContact O-NH2 3.03Å; N157-R305 WeakPolarHBondContact OD1-CD 3.3Å; N157-R305 WeakPolarHBondContact OD1-CG 3.28Å; N157-R305 PolarHBondContact OD1-NH1 3.31Å; S272-R305 CarbonylContact O-C 3.28Å; L273-R305 VanDerWaalsContact O-CZ 3.28Å; L273-R305 PolarHBondContact O-NE 3.32Å; L273-R305 PolarHBondContact O-NH2 3.23Å; L274-R305 VanDerWaalsContact O-CD 3.29Å; L274-R305 WeakPolarHBondContact O-CD 3.28Å; L274-R305 PolarHBondContact O-NE 2.64Å; I303-R305 PolarHBondContact O-N 3.32Å; R305-K307 PolarHBondContact O-N 3.32Å; R305-V308 CarbonylContact O-C 3.57Å; R305-V308 WeakPolarHBondContact O-CA 3.45Å; R305-V308 PolarHBondContact O-N 2.85Å; R305-I428 HydrophobicContact CB-CD1 4.47Å
306	H	82.4	Confident	80.4	Confident	88 Å²	88	55 Å²	55	41%	0.407	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-59.6	-26.5	176.8	73	-96.3	0	0	0	114	S272 L273 E304	S272-H306 WeakPolarHBondContact O-CA 3.31Å; S272-H306 PolarHBondContact O-N 2.84Å; L273-H306 HydrophobicContact CD2-CB 3.71Å; E304-H306 PolarHBondContact O-N 2.93Å; E304-H306 IonicContact OE1-CE1 2.73Å
307	K	80.5	Confident	77.9	Confident	120 Å²	120	62.4 Å²	62.4	52%	0.522	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-74.6	-28.1	174.9	-60.5	-174.8	179.2	170.9	0	111.8	E304 R305 K309	E304-K307 HydrophobicContact CB-CD 3.92Å; E304-K307 HydrophobicContact CB-CG 4.11Å; E304-K307 VanDerWaalsContact CD-CE 3.43Å; E304-K307 WeakPolarHBondContact O-CB 3.48Å; E304-K307 PolarHBondContact O-N 2.94Å; E304-K307 WeakPolarHBondContact OE1-CE 3.42Å; E304-K307 IonicContact OE1-NZ 3.54Å; E304-K307 PolarHBondContact OE1-NZ 2.99Å; E304-K307 WeakPolarHBondContact OE2-CE 3.36Å; E304-K307 IonicContact OE2-NZ 3.57Å; E304-K307 PolarHBondContact OE2-NZ 3.47Å; R305-K307 PolarHBondContact O-N 3.32Å; K307-K309 VanDerWaalsContact C-N 3.27Å; K307-K309 PolarHBondContact O-N 3.42Å; K307-K309 VanDerWaalsContact O-N 3.09Å
308	V	80.2	Confident	74.9	Confident	12 Å²	12	64.4 Å²	64.4	7%	0.073	31%	0.307	C	S	.	.			trans	-87.7	67.8	175.7	-171.3	0	0	0	0	109.3	R234 R305 S310 I428	R234-V308 PolarHBondContact NH1-O 3.49Å; R305-V308 CarbonylContact O-C 3.57Å; R305-V308 WeakPolarHBondContact O-CA 3.45Å; R305-V308 PolarHBondContact O-N 2.85Å; V308-S310 VanDerWaalsContact CG1-O 3.31Å; V308-S310 WeakPolarHBondContact CG1-O 3.31Å; V308-S310 PolarHBondContact O-N 3.03Å; V308-S310 VanDerWaalsContact O-N 3.16Å; V308-I428 HydrophobicContact CB-CD1 3.99Å; V308-I428 HydrophobicContact CG1-CD1 4.24Å; V308-I428 HydrophobicContact CG1-CG2 4.12Å; V308-I428 HydrophobicContact CG2-CD1 3.91Å
309	K	76.4	Confident	72.2	Confident	76 Å²	76	65.1 Å²	65.1	33%	0.33	32%	0.315	S	S	.	.	S	Bend	trans	-56.8	-28.1	175.3	-69.5	-150.8	-177.5	-162.2	0	112.7	R234 Q268 D269 K307	R234-K309 PolarHBondContact NH2-O 3.46Å; Q268-K309 HydrophobicContact CG-CD 4.35Å; D269-K309 IonicContact OD1-NZ 2.74Å; D269-K309 PolarHBondContact OD1-NZ 2.82Å; K307-K309 VanDerWaalsContact C-N 3.27Å; K307-K309 PolarHBondContact O-N 3.42Å; K307-K309 VanDerWaalsContact O-N 3.09Å
310	S	80.9	Confident	69.3	Low	6 Å²	6	71 Å²	71	4%	0.042	34%	0.341	C	S	.	.			trans	-139.2	139.5	176.8	172.7	0	0	0	0	111	D239 V308 L312 R313	D239-S310 VanDerWaalsContact CG-OG 3.25Å; D239-S310 WeakPolarHBondContact OD1-CB 3.44Å; D239-S310 PolarHBondContact OD1-OG 3.45Å; D239-S310 VanDerWaalsContact OD1-OG 3.12Å; D239-S310 WeakPolarHBondContact OD2-CA 3.37Å; D239-S310 WeakPolarHBondContact OD2-CB 3.45Å; D239-S310 PolarHBondContact OD2-OG 2.88Å; V308-S310 VanDerWaalsContact CG1-O 3.31Å; V308-S310 WeakPolarHBondContact CG1-O 3.31Å; V308-S310 PolarHBondContact O-N 3.03Å; V308-S310 VanDerWaalsContact O-N 3.16Å; S310-L312 VanDerWaalsContact C-N 3.31Å; S310-L312 PolarHBondContact OG-N 3.44Å; S310-L312 VanDerWaalsContact OG-N 3.08Å; S310-R313 PolarHBondContact OG-N 3.47Å
311	A	77.4	Confident	66.4	Low	3 Å²	3	79.1 Å²	79.1	3%	0.025	38%	0.379	C	S	.	.	S	Bend	trans	-74.9	-26.8	170.8	0	0	0	0	0	111.2	D239 W425 V429 L432	D239-A311 PolarHBondContact OD2-N 3.33Å; A311-W425 VanDerWaalsContact O-CE2 3.29Å; A311-W425 WeakPolarHBondContact O-CZ2 3.31Å; A311-W425 PolarHBondContact O-NE1 2.62Å; A311-V429 HydrophobicContact CB-CG2 4.23Å; A311-V429 VanDerWaalsContact O-CG2 3.28Å; A311-V429 WeakPolarHBondContact O-CG2 3.42Å; A311-L432 HydrophobicContact CB-CD1 4.17Å
312	L	72.9	Confident	63.5	Low	15 Å²	15	82 Å²	82	8%	0.079	39%	0.388	C	S	.	.	S	Bend	trans	-89.8	-5.9	-171.8	-60.8	172.9	0	0	0	114.6	V61 L64 I241 M242 S310 W433	V61-L312 HydrophobicContact CG2-CD2 4.02Å; L64-L312 HydrophobicContact CD1-CB 4.08Å; I241-L312 HydrophobicContact CB-CD1 4.18Å; I241-L312 HydrophobicContact CD1-CB 4.22Å; I241-L312 HydrophobicContact CG2-CB 4.44Å; I241-L312 HydrophobicContact CG2-CD1 3.6Å; M242-L312 HydrophobicContact CE-CD1 3.38Å; M242-L312 HydrophobicContact CG-CD1 3.99Å; M242-L312 HydrophobicContact SD-CD1 4.48Å; S310-L312 VanDerWaalsContact C-N 3.31Å; S310-L312 PolarHBondContact OG-N 3.44Å; S310-L312 VanDerWaalsContact OG-N 3.08Å; L312-W433 HydrophobicContact CD1-CZ2 4Å; L312-W433 HydrophobicContact CD2-CH2 4.41Å; L312-W433 HydrophobicContact CD2-CZ2 3.65Å; L312-W433 HydrophobicContact CG-CZ2 4.1Å
313	R	68.9	Low	60.6	Low	64 Å²	64	85.5 Å²	85.5	24%	0.242	40%	0.401	C	S	.	.	S	Bend	trans	-122.5	114.7	178.8	-176.9	176.2	-178.7	169.3	0.9	109.4	L86 D87 I241 S310	L86-R313 PolarHBondContact O-NH1 3.49Å; D87-R313 IonicContact OD1-NH2 3Å; D87-R313 PolarHBondContact OD1-NH2 2.84Å; I241-R313 HydrophobicContact CD1-CB 4.29Å; S310-R313 PolarHBondContact OG-N 3.47Å
314	F	61.3	Low	58	Low	73 Å²	73	92.4 Å²	92.4	32%	0.32	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-57	136.7	173.7	-166.2	-92.8	0	0	0	110.5	R316 E422 W425	F314-R316 PolarHBondContact O-N 2.9Å; F314-E422 HydrophobicContact CE2-CB 3.84Å; F314-E422 HydrophobicContact CE2-CG 3.89Å; F314-E422 HydrophobicContact CZ-CB 3.84Å; F314-E422 HydrophobicContact CZ-CG 4.29Å; F314-W425 AromaticContact CD2-CD2 3.82Å; F314-W425 HydrophobicContact CD2-CD2 3.82Å; F314-W425 AromaticContact CD2-CE3 3.8Å; F314-W425 HydrophobicContact CD2-CE3 3.8Å; F314-W425 HydrophobicContact CD2-CG 4.25Å; F314-W425 HydrophobicContact CD2-CZ3 4.22Å; F314-W425 HydrophobicContact CE2-CD2 4.28Å; F314-W425 HydrophobicContact CE2-CE3 4.07Å; F314-W425 HydrophobicContact CE2-CG 4.5Å
315	P	51.9	Low	55.2	Low	25 Å²	25	90.5 Å²	90.5	16%	0.162	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-56.4	126.2	176.9	-26.2	35.5	0	0	0	111.5	R317 Q421	P315-R317 PolarHBondContact O-N 3.46Å; P315-Q421 HydrophobicContact CB-CG 4.28Å; P315-Q421 HydrophobicContact CG-CG 4.22Å
316	R	46.8	Very low	52.6	Low	150 Å²	150	99.1 Å²	99.1	57%	0.566	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-58.9	127.4	173.7	-84	-173.6	171.9	140.9	1.1	109	D87 F314 S318	D87-R316 IonicContact OD1-CZ 2.63Å; D87-R316 IonicContact OD1-NH1 2.76Å; D87-R316 PolarHBondContact OD1-NH1 3.5Å; D87-R316 IonicContact OD1-NH2 3.58Å; D87-R316 PolarHBondContact OD1-NH2 3.06Å; D87-R316 IonicContact OD2-NH2 2.63Å; F314-R316 PolarHBondContact O-N 2.9Å; R316-S318 PolarHBondContact O-N 2.99Å
317	R	39.3	Very low	50	Low	199 Å²	199	100.5 Å²	100.5	75%	0.751	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-55.3	128.4	160.1	-65.2	-177.4	-177.7	176.8	1.6	107.8	P315	P315-R317 PolarHBondContact O-N 3.46Å
318	S	30.3	Very low	47.5	Very low	61 Å²	61	102.7 Å²	102.7	43%	0.427	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-67.6	142.7	166.3	52.5	0	0	0	0	108.6	R316 E320	R316-S318 PolarHBondContact O-N 2.99Å; S318-E320 PolarHBondContact O-N 3.27Å
319	L	33.8	Very low	45	Very low	153 Å²	153	114 Å²	114	80%	0.801	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-70	-9.1	179.1	-115.1	76.6	0	0	0	112.8	Q321	L319-Q321 VanDerWaalsContact C-N 3.34Å; L319-Q321 PolarHBondContact O-N 2.91Å
320	E	31.9	Very low	42.7	Very low	173 Å²	173	118.3 Å²	118.3	81%	0.808	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-79.4	-11.3	-171	-62.2	163.5	137.5	0	0	113.7	S318	S318-E320 PolarHBondContact O-N 3.27Å
321	Q	31.2	Very low	40.1	Very low	171 Å²	171	121.8 Å²	121.8	80%	0.799	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-97.1	8.1	175.8	-71.8	-171.6	-29.3	0	0	114.2	L319 D323	L319-Q321 VanDerWaalsContact C-N 3.34Å; L319-Q321 PolarHBondContact O-N 2.91Å; Q321-D323 VanDerWaalsContact C-N 3.26Å; Q321-D323 PolarHBondContact O-N 3.25Å
322	L	32.6	Very low	37.7	Very low	130 Å²	130	132 Å²	132	68%	0.681	66%	0.663	S	S	*	*			trans	-88	65	165.8	-74	173.7	0	0	0	110.4	I324	L322-I324 PolarHBondContact O-N 3.2Å
323	D	29.4	Very low	35.3	Very low	153 Å²	153	142.6 Å²	142.6	82%	0.818	70%	0.702	S	S	*	*			trans	-74.2	79	174	-163	11.1	0	0	0	109.8	Q321 G325	Q321-D323 VanDerWaalsContact C-N 3.26Å; Q321-D323 PolarHBondContact O-N 3.25Å; D323-G325 PolarHBondContact O-N 3.22Å
324	I	34.8	Very low	33.1	Very low	152 Å²	152	148.1 Å²	148.1	78%	0.779	73%	0.733	S	S	*	*			trans	-70.5	101.1	178.1	-63.7	178.9	0	0	0	107.8	L322	L322-I324 PolarHBondContact O-N 3.2Å
325	G	29.2	Very low	31.3	Very low	58 Å²	58	155.5 Å²	155.5	60%	0.598	76%	0.758	S	S	*	*			trans	-51	143.3	-168.9	0	0	0	0	0	115.2	D323 S327	D323-G325 PolarHBondContact O-N 3.22Å; G325-S327 PolarHBondContact O-N 3.03Å
326	Q	31.8	Very low	30.6	Very low	199 Å²	199	159 Å²	159	93%	0.93	78%	0.781	S	S	*	*			trans	-54.9	126.8	179.6	-61.4	176	0.9	0	0	112.1
327	S	28	Very low	29.6	Very low	118 Å²	118	157.8 Å²	157.8	83%	0.825	79%	0.791	S	S	*	*			trans	-147.6	138.8	157.2	-161.6	0	0	0	0	111	G325	G325-S327 PolarHBondContact O-N 3.03Å
328	H	28	Very low	28.9	Very low	166 Å²	166	154 Å²	154	77%	0.769	79%	0.785	S	S	*	*			trans	-75.4	146.7	-166.4	-74.5	-108.3	0	0	0	113.8
329	R	28.8	Very low	28.6	Very low	250 Å²	250	158.4 Å²	158.4	94%	0.943	80%	0.802	S	S	*	*			trans	-151.4	146.9	134.5	-106.3	155.3	-155.3	-137.6	2.7	111.4
330	L	26.3	Very low	28.2	Very low	165 Å²	165	156.7 Å²	156.7	86%	0.864	80%	0.803	S	S	*	*			trans	-91.1	151.9	-170.4	-66.7	69.3	0	0	0	111.2
331	G	26.4	Very low	27.8	Very low	79 Å²	79	160 Å²	160	81%	0.814	81%	0.808	S	S	*	*			trans	-174.4	116.9	169.8	0	0	0	0	0	114.3
332	K	27.3	Very low	28.1	Very low	217 Å²	217	156.7 Å²	156.7	94%	0.943	80%	0.802	S	S	*	*			trans	-77.1	127.7	-173.9	-72.9	174.5	175.9	174.1	0	114.2
333	R	23.6	Very low	27.6	Very low	239 Å²	239	155.5 Å²	155.5	90%	0.902	80%	0.804	S	S	*	*			trans	-21	128.5	147.3	175.8	-166.2	-165.3	180	6.5	116.4
334	M	23.1	Very low	27.5	Very low	180 Å²	180	153.8 Å²	153.8	89%	0.887	80%	0.804	S	S	*	*			trans	-152.8	161.8	140	-77.5	-144.5	78	0	0	112.3
335	R	22.4	Very low	27	Very low	228 Å²	228	151.5 Å²	151.5	86%	0.86	80%	0.801	S	S	*	*			trans	-145.8	177.8	174.8	-91.4	-167.4	-177.6	-172.3	2.7	106.4
336	P	38.2	Very low	26.9	Very low	97 Å²	97	160.1 Å²	160.1	63%	0.63	82%	0.816	S	S	*	*			cis	-107.4	-166	-12.5	19.1	5.8	0	0	0	110.2
337	T	24.2	Very low	26.5	Very low	126 Å²	126	155.3 Å²	155.3	77%	0.773	81%	0.805	S	S	*	*				-174.1	177.7	63.4	54.7	0	0	0	0	111.5
338	D	25.3	Very low	26.3	Very low	119 Å²	119	160.6 Å²	160.6	64%	0.636	81%	0.808	S	S	*	*				-162.2	163.9	-51.4	-98.4	-51.2	0	0	0	112.7
339	I	24.8	Very low	26.1	Very low	153 Å²	153	162.9 Å²	162.9	79%	0.785	82%	0.816	S	S	*	*			trans	41.9	115.9	150.3	-57.2	161.2	0	0	0	120.5
340	S	25.1	Very low	25.9	Very low	117 Å²	117	160.6 Å²	160.6	82%	0.818	81%	0.813	S	S	*	*				-173.3	160.2	115.7	43.7	0	0	0	0	114.5
341	R	23.4	Very low	25.8	Very low	243 Å²	243	165.1 Å²	165.1	92%	0.917	82%	0.818	S	S	*	*			trans	-164.8	174	-174.7	-122.9	-174.3	-175.5	-166.2	3.6	106.3
342	P	37	Very low	25.7	Very low	102 Å²	102	172.4 Å²	172.4	66%	0.662	82%	0.821	S	S	*	*			cis	-140.6	-178.7	-5.7	42.1	-23	0	0	0	116.2
343	S	23.1	Very low	25.6	Very low	105 Å²	105	167.7 Å²	167.7	73%	0.734	81%	0.814	S	S	*	*			trans	24.2	126.2	143.9	64.9	0	0	0	0	123.7
344	S	26.4	Very low	25.6	Very low	116 Å²	116	166.8 Å²	166.8	81%	0.811	81%	0.811	S	S	*	*				175	165.2	120.8	46.5	0	0	0	0	109.8
345	S	25.3	Very low	25.8	Very low	104 Å²	104	165 Å²	165	73%	0.727	80%	0.804	S	S	*	*				-178	138	-52.9	54.5	0	0	0	0	107.7
346	R	26.6	Very low	25.9	Very low	239 Å²	239	159.8 Å²	159.8	90%	0.902	80%	0.803	S	S	*	*			trans	78.8	129.5	160.5	-73.6	-177.5	163.9	168.4	-3.7	122.9
347	S	24	Very low	25.4	Very low	99 Å²	99	164 Å²	164	69%	0.692	81%	0.806	S	S	*	*			trans	82.7	102.4	135.9	51.9	0	0	0	0	123.8
348	Y	23.3	Very low	25.5	Very low	229 Å²	229	167.4 Å²	167.4	90%	0.898	81%	0.813	S	S	*	*				38.9	120.4	125.8	-68.4	-77.5	0	0	0	121.7
349	K	23.5	Very low	25.6	Very low	214 Å²	214	166.7 Å²	166.7	93%	0.93	81%	0.809	S	S	*	*				-164.1	157.9	112	-108.2	162.3	-173.7	171.6	0	113.6
350	K	24.8	Very low	25.8	Very low	202 Å²	202	165.7 Å²	165.7	88%	0.878	82%	0.816	S	S	*	*			trans	-74	148.7	176.1	-60.9	169.1	175.4	173.4	0	111.3
351	R	24.2	Very low	25.9	Very low	259 Å²	259	163.8 Å²	163.8	98%	0.977	82%	0.815	S	S	*	*				-161.8	154.3	124.5	-112.6	173.1	-174.7	-166.6	1.1	115.6
352	R	24	Very low	26	Very low	233 Å²	233	157.2 Å²	157.2	88%	0.879	81%	0.812	S	S	*	*			trans	-110.1	142.5	-161	166.5	-157.9	-161.5	-176.1	8.1	110.4
353	C	25	Very low	25.5	Very low	117 Å²	117	157.5 Å²	157.5	79%	0.791	82%	0.817	S	S	*	*			trans	-142.3	129.7	151.9	-87.8	0	0	0	0	107
354	R	24.2	Very low	25.6	Very low	221 Å²	221	158.3 Å²	158.3	83%	0.834	82%	0.817	S	S	*	*				71.4	140.5	65.1	-85.7	-163.3	164.7	-172.8	-3.1	113.6
355	L	26.7	Very low	25.6	Very low	141 Å²	141	158.3 Å²	158.3	74%	0.738	82%	0.817	S	S	*	*			cis	-177.1	136.3	-33.5	-136.3	169.2	0	0	0	108.5	R357	L355-R357 HydrophobicContact CD2-CG 4.13Å
356	S	24.5	Very low	25.7	Very low	120 Å²	120	158.7 Å²	158.7	84%	0.839	82%	0.82	S	S	*	*			trans	-152.8	159	151.5	55.4	0	0	0	0	110.4
357	R	27	Very low	25.6	Very low	184 Å²	184	152.1 Å²	152.1	69%	0.694	81%	0.81	S	S	*	*			trans	-138.5	159.6	-178.4	-65.6	168.2	68.4	164	10.2	108.6	L355 D359	L355-R357 HydrophobicContact CD2-CG 4.13Å; R357-D359 IonicContact CZ-OD1 3.56Å; R357-D359 IonicContact CZ-OD2 3.28Å; R357-D359 VanDerWaalsContact CZ-OD2 3.28Å; R357-D359 IonicContact NE-OD1 3.54Å; R357-D359 IonicContact NE-OD2 2.9Å; R357-D359 PolarHBondContact NE-OD2 2.93Å; R357-D359 IonicContact NH2-OD1 2.74Å; R357-D359 PolarHBondContact NH2-OD1 2.78Å; R357-D359 IonicContact NH2-OD2 3.05Å; R357-D359 PolarHBondContact NH2-OD2 2.87Å
358	Q	27.8	Very low	25.7	Very low	198 Å²	198	152.5 Å²	152.5	93%	0.925	81%	0.813	S	S	*	*				-151.1	158.4	120.4	-113.8	169.9	4	0	0	110.4
359	D	26.7	Very low	25.8	Very low	104 Å²	104	146.3 Å²	146.3	56%	0.556	80%	0.804	S	S	*	*			trans	-122.9	149.4	-162.2	-56.5	-106.2	0	0	0	111.3	R357	R357-D359 IonicContact CZ-OD1 3.56Å; R357-D359 IonicContact CZ-OD2 3.28Å; R357-D359 VanDerWaalsContact CZ-OD2 3.28Å; R357-D359 IonicContact NE-OD1 3.54Å; R357-D359 IonicContact NE-OD2 2.9Å; R357-D359 PolarHBondContact NE-OD2 2.93Å; R357-D359 IonicContact NH2-OD1 2.74Å; R357-D359 PolarHBondContact NH2-OD1 2.78Å; R357-D359 IonicContact NH2-OD2 3.05Å; R357-D359 PolarHBondContact NH2-OD2 2.87Å
360	S	29.2	Very low	25.9	Very low	133 Å²	133	141.1 Å²	141.1	93%	0.93	79%	0.794	S	S	*	*			trans	159.6	153.2	149.8	44.9	0	0	0	0	109.8
361	G	26.1	Very low	25.9	Very low	77 Å²	77	136.1 Å²	136.1	79%	0.794	78%	0.784	S	S	*	*			cis	-172.7	154	-6.8	0	0	0	0	0	108.5
362	A	26.9	Very low	25.9	Very low	104 Å²	104	128.6 Å²	128.6	86%	0.86	77%	0.772	S	S	*	*			trans	-113.8	143.1	-164.9	0	0	0	0	0	115.5
363	S	27	Very low	25.9	Very low	108 Å²	108	122.8 Å²	122.8	76%	0.755	77%	0.767	S	S	*	*			trans	-160.6	116.3	161.9	-0.1	0	0	0	0	107.9
364	T	25.2	Very low	25.8	Very low	123 Å²	123	123.7 Å²	123.7	76%	0.755	77%	0.773	S	S	*	*				82	130.1	68.4	61	0	0	0	0	115.7
365	S	25.8	Very low	25.8	Very low	115 Å²	115	118.5 Å²	118.5	80%	0.804	77%	0.77	S	S	*	*			trans	65.2	155.6	159.4	31.3	0	0	0	0	118.1
366	S	26.9	Very low	25.8	Very low	113 Å²	113	117.7 Å²	117.7	79%	0.79	78%	0.777	S	S	*	*			cis	-157.3	167.9	-5.8	34.3	0	0	0	0	112.7
367	S	25.4	Very low	25.7	Very low	100 Å²	100	120 Å²	120	70%	0.699	78%	0.779	S	S	*	*			trans	-49.8	154.4	176.3	52.6	0	0	0	0	119.2
368	S	25.6	Very low	25.6	Very low	107 Å²	107	117.5 Å²	117.5	75%	0.748	79%	0.788	S	S	*	*			trans	64.8	165	142.2	68.2	0	0	0	0	117.8
369	S	25.5	Very low	25.3	Very low	100 Å²	100	113.8 Å²	113.8	70%	0.699	78%	0.784	S	S	*	*			cis	-150.9	168.7	14.6	-34.4	0	0	0	0	113.2
370	S	24.8	Very low	25.7	Very low	105 Å²	105	114.1 Å²	114.1	73%	0.734	79%	0.792	S	S	*	*			trans	-30.1	156.2	158.1	58.1	0	0	0	0	116.6
371	S	25.2	Very low	25.4	Very low	96 Å²	96	119.4 Å²	119.4	67%	0.671	79%	0.791	S	S	*	*				175.3	162.4	63.8	47.6	0	0	0	0	112.7
372	S	24.7	Very low	25.3	Very low	102 Å²	102	122 Å²	122	71%	0.713	79%	0.792	S	S	*	*			trans	41.7	158.8	143.3	57.4	0	0	0	0	122.8
373	S	24.1	Very low	25.4	Very low	110 Å²	110	122.1 Å²	122.1	77%	0.769	78%	0.784	S	S	*	*			cis	179.4	141.3	-21.5	-86	0	0	0	0	106.4
374	C	22.6	Very low	25.2	Very low	137 Å²	137	121.5 Å²	121.5	93%	0.926	78%	0.78	S	S	*	*			trans	176.7	161.4	135.8	53.5	0	0	0	0	111.9
375	S	24.2	Very low	25	Very low	111 Å²	111	121.3 Å²	121.3	78%	0.776	78%	0.782	S	S	*	*			trans	-115.7	147.3	179.1	55.1	0	0	0	0	111
376	S	25.8	Very low	24.9	Very low	124 Å²	124	123.9 Å²	123.9	87%	0.867	79%	0.785	S	S	*	*			trans	-133.7	144.4	152.7	56.5	0	0	0	0	110.3
377	L	24.1	Very low	24.8	Very low	169 Å²	169	123.9 Å²	123.9	89%	0.885	79%	0.785	S	S	*	*			trans	-102.6	142.1	-173.6	-68.8	141.6	0	0	0	109.9
378	C	23.3	Very low	25.4	Very low	131 Å²	131	124.9 Å²	124.9	89%	0.885	79%	0.789	S	S	*	*			trans	-155.6	131.6	153.6	-129.4	0	0	0	0	113.3
379	S	22.8	Very low	25.2	Very low	120 Å²	120	128.2 Å²	128.2	84%	0.839	79%	0.793	S	S	*	*			trans	-178.4	163.3	176.3	-80.8	0	0	0	0	107.3
380	P	34.6	Very low	25	Very low	111 Å²	111	128.5 Å²	128.5	72%	0.721	79%	0.79	S	S	*	*			cis	-127.4	-179.7	-2.4	41.9	-28.5	0	0	0	113.4
381	R	22.9	Very low	24.8	Very low	245 Å²	245	133.7 Å²	133.7	93%	0.925	80%	0.795	S	S	*	*			trans	-170.6	143	137.4	-102.6	153.5	-162.3	-120.4	4.8	113.2
382	T	23.8	Very low	25.2	Very low	131 Å²	131	134.6 Å²	134.6	80%	0.804	80%	0.799	S	S	*	*			trans	-95.4	172.8	167	46	0	0	0	0	109.2
383	P	29.2	Very low	25.1	Very low	107 Å²	107	134.5 Å²	134.5	70%	0.695	80%	0.798	S	S	*	*			cis	-151.5	178.1	29	42	-19	0	0	0	120.2
384	S	21.6	Very low	25.2	Very low	95 Å²	95	134.8 Å²	134.8	66%	0.664	80%	0.8	S	S	*	*			trans	55.1	120	141.1	62.2	0	0	0	0	124
385	C	22	Very low	25.5	Very low	119 Å²	119	134.5 Å²	134.5	80%	0.804	80%	0.797	S	S	*	*				65.8	125.8	129.9	-58	0	0	0	0	121.8
386	I	24.1	Very low	25.5	Very low	168 Å²	168	134.2 Å²	134.2	86%	0.862	80%	0.795	S	S	*	*				-179.4	163.2	117.9	-91.3	157.6	0	0	0	109.5
387	S	23.4	Very low	25.4	Very low	114 Å²	114	134.3 Å²	134.3	80%	0.797	79%	0.79	S	S	*	*			trans	-118.6	174	-172.7	-56.6	0	0	0	0	111.8
388	P	38.4	Very low	25.9	Very low	120 Å²	120	131.9 Å²	131.9	78%	0.779	79%	0.785	S	S	*	*			trans	-114.1	170.8	-141.5	42.5	-38.6	0	0	0	117.8
389	Q	22	Very low	25.9	Very low	178 Å²	178	131.2 Å²	131.2	83%	0.832	78%	0.78	S	S	*	*			trans	-168.5	137.7	152.3	-113.2	179	4.5	0	0	117.6
390	T	21.1	Very low	26	Very low	106 Å²	106	133 Å²	133	65%	0.65	78%	0.78	S	S	*	*			trans	61.7	169.6	151.6	55.4	0	0	0	0	120.2
391	Y	21.6	Very low	25.8	Very low	214 Å²	214	134.3 Å²	134.3	84%	0.839	79%	0.786	S	S	*	*			cis	-170.4	-172.2	-23.7	-96.3	-28.4	0	0	0	107.6
392	P	31.9	Very low	26.1	Very low	114 Å²	114	130.8 Å²	130.8	74%	0.74	79%	0.785	S	S	*	*			cis	-135.7	-179	-6.3	44	-26.1	0	0	0	117.7
393	S	22.7	Very low	26.2	Very low	100 Å²	100	133.6 Å²	133.6	70%	0.699	78%	0.78	S	S	*	*			trans	6.7	130.1	153	63.8	0	0	0	0	128.1
394	S	26.4	Very low	26.3	Very low	117 Å²	117	134.7 Å²	134.7	82%	0.818	79%	0.785	S	S	*	*				57.3	155.2	118.9	-52.7	0	0	0	0	123
395	P	29.9	Very low	26.8	Very low	131 Å²	131	135.2 Å²	135.2	85%	0.851	79%	0.786	S	S	*	*			cis	-140	-153.1	27.7	44.4	-23.1	0	0	0	116.9
396	S	24	Very low	27.2	Very low	105 Å²	105	138.7 Å²	138.7	73%	0.734	79%	0.788	S	S	*	*			trans	-141.6	-175.3	-165	62.5	0	0	0	0	113.1
397	T	22.9	Very low	27.6	Very low	126 Å²	126	137 Å²	137	77%	0.773	78%	0.78	S	S	*	*			cis	-147.2	-82.8	23.5	-29.2	0	0	0	0	119.8
398	P	35.1	Very low	27.8	Very low	118 Å²	118	136.7 Å²	136.7	77%	0.766	77%	0.769	S	S	*	*				-123.4	157.9	-126.9	40.3	-28.1	0	0	0	119
399	C	23.1	Very low	27.5	Very low	117 Å²	117	136 Å²	136	79%	0.791	77%	0.767	S	S	*	*			trans	-154.2	116.6	150	-161.6	0	0	0	0	114.4
400	N	25.8	Very low	28	Very low	157 Å²	157	133.6 Å²	133.6	84%	0.84	76%	0.759	S	S	*	*			trans	31.6	122.2	154.8	-62.3	-12.1	0	0	0	123.4
401	V	29.6	Very low	28.9	Very low	138 Å²	138	134.3 Å²	134.3	84%	0.836	77%	0.768	S	S	*	*			trans	-98.5	142.6	159.1	171.9	0	0	0	0	109.8	R403	V401-R403 PolarHBondContact O-N 2.97Å
402	L	29.3	Very low	29.6	Very low	172 Å²	172	129.4 Å²	129.4	90%	0.901	77%	0.765	S	S	*	*			trans	-74.2	110.5	166.6	-79.5	170.6	0	0	0	110.1
403	R	27.2	Very low	29.8	Very low	189 Å²	189	129.3 Å²	129.3	71%	0.713	76%	0.763	S	S	*	*			trans	-96.6	122.8	-177.6	-168.1	177.1	-171.6	179.6	2.6	111.2	V401 D408	V401-R403 PolarHBondContact O-N 2.97Å; R403-D408 IonicContact CZ-OD2 2.74Å; R403-D408 IonicContact NE-OD2 3.95Å; R403-D408 IonicContact NH2-OD2 3.93Å; R403-D408 PolarHBondContact NH2-OD2 2.89Å
404	V	30.2	Very low	30.5	Very low	130 Å²	130	129.9 Å²	129.9	79%	0.788	76%	0.764	S	S	*	*			trans	-102.3	108.8	172.8	-171.6	0	0	0	0	108.8	F406	V404-F406 PolarHBondContact O-N 3.2Å; V404-F406 VanDerWaalsContact O-N 3.16Å
405	P	32.4	Very low	31	Very low	107 Å²	107	132 Å²	132	70%	0.695	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	82.7	-165	34.6	-35.7	0	0	0	113.2
406	F	31.2	Very low	31.5	Very low	191 Å²	191	131.5 Å²	131.5	84%	0.838	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.6	-9.9	165.3	-158.6	-112.1	0	0	0	117.1	V404	V404-F406 PolarHBondContact O-N 3.2Å; V404-F406 VanDerWaalsContact O-N 3.16Å
407	L	31.9	Very low	32.5	Very low	133 Å²	133	130.6 Å²	130.6	70%	0.696	76%	0.755	S	S	*	*			trans	-106.7	-2.8	-171.6	-80.1	165.1	0	0	0	116.1	S409	L407-S409 PolarHBondContact O-N 2.95Å
408	D	28.2	Very low	34.2	Very low	108 Å²	108	127.3 Å²	127.3	58%	0.578	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	24.7	-177.6	-66.1	-14	0	0	0	113.9	R403	R403-D408 IonicContact CZ-OD2 2.74Å; R403-D408 IonicContact NE-OD2 3.95Å; R403-D408 IonicContact NH2-OD2 3.93Å; R403-D408 PolarHBondContact NH2-OD2 2.89Å
409	S	30.6	Very low	36	Very low	104 Å²	104	125 Å²	125	73%	0.727	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.9	15.9	-170.4	-59.6	0	0	0	0	116.1	L407	L407-S409 PolarHBondContact O-N 2.95Å
410	L	32.9	Very low	38.5	Very low	129 Å²	129	125.5 Å²	125.5	68%	0.675	71%	0.712	S	S	*	*			trans	-111.4	5.4	173	-67.8	176.5	0	0	0	114.3	S412	L410-S412 PolarHBondContact O-N 3.07Å
411	S	39.3	Very low	40.8	Very low	120 Å²	120	122 Å²	122	84%	0.839	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	48.9	-176.3	-52	0	0	0	0	114.4
412	S	37.9	Very low	43.3	Very low	111 Å²	111	119.3 Å²	119.3	78%	0.776	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.9	15	174.2	54.8	0	0	0	0	115.3	L410	L410-S412 PolarHBondContact O-N 3.07Å
413	V	34.9	Very low	45.8	Very low	112 Å²	112	116.3 Å²	116.3	68%	0.679	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-98.7	124	171.8	-171.5	0	0	0	0	109.1
414	P	37.1	Very low	48.6	Very low	112 Å²	112	109 Å²	109	73%	0.727	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-58.5	141.7	170.3	-21.7	32.9	0	0	0	110.5
415	L	36.7	Very low	51.3	Low	163 Å²	163	105.6 Å²	105.6	85%	0.853	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-55.9	132.6	170.1	-96.9	73.9	0	0	0	108.8	S417	L415-S417 PolarHBondContact O-N 3.46Å
416	P	41.3	Very low	54	Low	120 Å²	120	103.5 Å²	103.5	78%	0.779	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-59.3	133.9	176.4	25.3	-33.4	0	0	0	108.9
417	S	44.6	Very low	56.9	Low	85 Å²	85	94.9 Å²	94.9	59%	0.594	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-54.1	136.1	180	60.7	0	0	0	0	110.2	L415	L415-S417 PolarHBondContact O-N 3.46Å
418	P	59.2	Low	59.8	Low	57 Å²	57	88.6 Å²	88.6	37%	0.37	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-53.4	141.9	-177.7	17.7	-30.2	0	0	0	111.2	E422 R423	P418-E422 HydrophobicContact CB-CB 4.23Å; P418-E422 HydrophobicContact CB-CG 4.03Å; P418-E422 WeakPolarHBondContact CB-OE2 3.21Å; P418-R423 HydrophobicContact CB-CG 4.47Å; P418-R423 HydrophobicContact CG-CG 3.94Å; P418-R423 PolarHBondContact O-NE 2.75Å; P418-R423 PolarHBondContact O-NH2 2.86Å
419	P	73.1	Confident	62.8	Low	71 Å²	71	83.9 Å²	83.9	46%	0.461	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-46.6	146.2	177.2	-30.1	36.1	0	0	0	111.9	Q421 E422 R423	P419-Q421 PolarHBondContact O-N 3.09Å; P419-Q421 VanDerWaalsContact O-N 3.17Å; P419-E422 WeakPolarHBondContact CD-OE2 3.34Å; P419-E422 WeakPolarHBondContact O-CB 3.18Å; P419-E422 PolarHBondContact O-N 3.09Å; P419-R423 PolarHBondContact O-N 2.95Å
420	Q	75.1	Confident	65.8	Low	126 Å²	126	79 Å²	79	59%	0.589	44%	0.443	S	S	*	.	H	α-helix	trans	-51.5	-45.3	-176.1	177.9	176.5	-26.7	0	0	111.9	E422 R423 E424	Q420-E422 VanDerWaalsContact C-N 3.25Å; Q420-E422 PolarHBondContact O-N 3.08Å; Q420-R423 WeakPolarHBondContact O-CB 3.46Å; Q420-R423 PolarHBondContact O-N 3.13Å; Q420-E424 HydrophobicContact CG-CG 4.22Å; Q420-E424 VanDerWaalsContact CG-OE1 3.29Å; Q420-E424 WeakPolarHBondContact CG-OE1 3.29Å; Q420-E424 PolarHBondContact NE2-OE1 3.12Å; Q420-E424 WeakPolarHBondContact O-CG 3.48Å; Q420-E424 PolarHBondContact O-N 2.97Å
421	Q	75.3	Confident	68.8	Low	85 Å²	85	73 Å²	73	40%	0.397	41%	0.411	S	S	.	.	H	α-helix	trans	-57.7	-30.4	176.7	-169.7	175.4	39.1	0	0	114.4	P315 P419 W425	P315-Q421 HydrophobicContact CB-CG 4.28Å; P315-Q421 HydrophobicContact CG-CG 4.22Å; P419-Q421 PolarHBondContact O-N 3.09Å; P419-Q421 VanDerWaalsContact O-N 3.17Å; Q421-W425 VanDerWaalsContact O-CB 3.26Å; Q421-W425 WeakPolarHBondContact O-CB 3.44Å; Q421-W425 PolarHBondContact O-N 2.86Å
422	E	80	Confident	71.4	Confident	81 Å²	81	67.3 Å²	67.3	38%	0.379	37%	0.372	S	S	.	.	H	α-helix	trans	-73.7	-39.9	175.5	178.1	172.3	-179.4	0	0	111.4	F314 P418 P419 Q420 K426	F314-E422 HydrophobicContact CE2-CB 3.84Å; F314-E422 HydrophobicContact CE2-CG 3.89Å; F314-E422 HydrophobicContact CZ-CB 3.84Å; F314-E422 HydrophobicContact CZ-CG 4.29Å; P418-E422 HydrophobicContact CB-CB 4.23Å; P418-E422 HydrophobicContact CB-CG 4.03Å; P418-E422 WeakPolarHBondContact CB-OE2 3.21Å; P419-E422 WeakPolarHBondContact CD-OE2 3.34Å; P419-E422 WeakPolarHBondContact O-CB 3.18Å; P419-E422 PolarHBondContact O-N 3.09Å; Q420-E422 VanDerWaalsContact C-N 3.25Å; Q420-E422 PolarHBondContact O-N 3.08Å; E422-K426 WeakPolarHBondContact O-CB 3.29Å; E422-K426 PolarHBondContact O-N 2.87Å
423	R	83.2	Confident	74.1	Confident	109 Å²	109	62 Å²	62	41%	0.411	34%	0.335	S	S	.	.	H	α-helix	trans	-65.8	-45.1	173.5	-73.9	179.7	-88.9	158.8	-7.4	111.4	P418 P419 Q420 K426 Q427	P418-R423 HydrophobicContact CB-CG 4.47Å; P418-R423 HydrophobicContact CG-CG 3.94Å; P418-R423 PolarHBondContact O-NE 2.75Å; P418-R423 PolarHBondContact O-NH2 2.86Å; P419-R423 PolarHBondContact O-N 2.95Å; Q420-R423 WeakPolarHBondContact O-CB 3.46Å; Q420-R423 PolarHBondContact O-N 3.13Å; R423-K426 PolarHBondContact O-N 2.79Å; R423-Q427 WeakPolarHBondContact O-CG 2.92Å; R423-Q427 PolarHBondContact O-N 2.92Å
424	E	86.6	Confident	77	Confident	35 Å²	35	56.7 Å²	56.7	16%	0.164	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-46.4	176	-67.7	174.4	172.4	0	0	112.2	L299 I303 Q420 K426 Q427 I428	L299-E424 HydrophobicContact CD1-CG 4.18Å; I303-E424 HydrophobicContact CD1-CB 4.08Å; I303-E424 HydrophobicContact CD1-CG 4.41Å; I303-E424 HydrophobicContact CG1-CB 3.92Å; I303-E424 HydrophobicContact CG1-CG 3.89Å; I303-E424 HydrophobicContact CG2-CB 4.34Å; Q420-E424 HydrophobicContact CG-CG 4.22Å; Q420-E424 VanDerWaalsContact CG-OE1 3.29Å; Q420-E424 WeakPolarHBondContact CG-OE1 3.29Å; Q420-E424 PolarHBondContact NE2-OE1 3.12Å; Q420-E424 WeakPolarHBondContact O-CG 3.48Å; Q420-E424 PolarHBondContact O-N 2.97Å; E424-K426 PolarHBondContact O-N 3.25Å; E424-Q427 PolarHBondContact O-N 3.5Å; E424-I428 PolarHBondContact O-N 3.42Å
425	W	86.4	Confident	79.7	Confident	59 Å²	59	51.5 Å²	51.5	22%	0.223	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-45.5	173.9	174	79.4	0	0	0	111.5	A311 F314 Q421 Q427 I428 V429	A311-W425 VanDerWaalsContact O-CE2 3.29Å; A311-W425 WeakPolarHBondContact O-CZ2 3.31Å; A311-W425 PolarHBondContact O-NE1 2.62Å; F314-W425 AromaticContact CD2-CD2 3.82Å; F314-W425 HydrophobicContact CD2-CD2 3.82Å; F314-W425 AromaticContact CD2-CE3 3.8Å; F314-W425 HydrophobicContact CD2-CE3 3.8Å; F314-W425 HydrophobicContact CD2-CG 4.25Å; F314-W425 HydrophobicContact CD2-CZ3 4.22Å; F314-W425 HydrophobicContact CE2-CD2 4.28Å; F314-W425 HydrophobicContact CE2-CE3 4.07Å; F314-W425 HydrophobicContact CE2-CG 4.5Å; Q421-W425 VanDerWaalsContact O-CB 3.26Å; Q421-W425 WeakPolarHBondContact O-CB 3.44Å; Q421-W425 PolarHBondContact O-N 2.86Å; W425-Q427 PolarHBondContact O-N 2.86Å; W425-I428 PolarHBondContact O-N 3.12Å; W425-V429 HydrophobicContact CD2-CG2 3.99Å; W425-V429 HydrophobicContact CE3-CG2 4.39Å; W425-V429 HydrophobicContact CH2-CG2 4.13Å; W425-V429 HydrophobicContact CZ2-CG2 3.69Å; W425-V429 HydrophobicContact CZ3-CG2 4.45Å; W425-V429 WeakPolarHBondContact O-CG2 3.37Å; W425-V429 PolarHBondContact O-N 2.69Å
426	K	88.4	Confident	82.5	Confident	63 Å²	63	44.6 Å²	44.6	27%	0.274	23%	0.234	S	C	.	.	H	α-helix	trans	-61.9	-38.3	177.1	175.5	163.7	168.7	46	0	112.9	E422 R423 E424 I428 V429 D430	E422-K426 WeakPolarHBondContact O-CB 3.29Å; E422-K426 PolarHBondContact O-N 2.87Å; R423-K426 PolarHBondContact O-N 2.79Å; E424-K426 PolarHBondContact O-N 3.25Å; K426-I428 VanDerWaalsContact C-N 3.34Å; K426-I428 PolarHBondContact O-N 2.72Å; K426-V429 PolarHBondContact O-N 2.91Å; K426-D430 IonicContact NZ-OD1 2.92Å; K426-D430 PolarHBondContact NZ-OD1 3.06Å; K426-D430 IonicContact NZ-OD2 3.85Å; K426-D430 PolarHBondContact NZ-OD2 2.88Å; K426-D430 WeakPolarHBondContact O-CB 3.3Å; K426-D430 VanDerWaalsContact O-CG 3.27Å; K426-D430 PolarHBondContact O-N 2.84Å
427	Q	92	Very high	84.9	Confident	9 Å²	9	40.8 Å²	40.8	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-58.1	-46.3	174.3	-69.5	-67.3	-40.5	0	0	111.1	Q294 L299 L300 I303 R423 E424 W425 D430 I431	Q294-Q427 PolarHBondContact O-NE2 2.8Å; L299-Q427 HydrophobicContact CD2-CG 3.86Å; L299-Q427 HydrophobicContact CG-CG 4.38Å; L300-Q427 HydrophobicContact CD2-CB 3.78Å; L300-Q427 HydrophobicContact CG-CB 4.1Å; I303-Q427 HydrophobicContact CD1-CB 3.96Å; R423-Q427 WeakPolarHBondContact O-CG 2.92Å; R423-Q427 PolarHBondContact O-N 2.92Å; E424-Q427 PolarHBondContact O-N 3.5Å; W425-Q427 PolarHBondContact O-N 2.86Å; Q427-D430 PolarHBondContact O-N 2.7Å; Q427-I431 WeakPolarHBondContact O-CB 3.44Å; Q427-I431 VanDerWaalsContact O-CG1 3.25Å; Q427-I431 WeakPolarHBondContact O-CG1 3.22Å; Q427-I431 PolarHBondContact O-N 3.27Å
428	I	92.1	Very high	87	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-65.4	-41	177.2	-72.6	173.3	0	0	0	111.5	I276 I303 R305 V308 E424 W425 K426 I431 L432	I276-I428 HydrophobicContact CD1-CG1 4.04Å; I303-I428 HydrophobicContact CD1-CD1 4.45Å; I303-I428 HydrophobicContact CD1-CG1 4.26Å; I303-I428 HydrophobicContact CG2-CD1 3.69Å; R305-I428 HydrophobicContact CB-CD1 4.47Å; V308-I428 HydrophobicContact CB-CD1 3.99Å; V308-I428 HydrophobicContact CG1-CD1 4.24Å; V308-I428 HydrophobicContact CG1-CG2 4.12Å; V308-I428 HydrophobicContact CG2-CD1 3.91Å; E424-I428 PolarHBondContact O-N 3.42Å; W425-I428 PolarHBondContact O-N 3.12Å; K426-I428 VanDerWaalsContact C-N 3.34Å; K426-I428 PolarHBondContact O-N 2.72Å; I428-I431 PolarHBondContact O-N 2.88Å; I428-L432 HydrophobicContact CG2-CD1 3.8Å; I428-L432 HydrophobicContact CG2-CG 4.46Å; I428-L432 WeakPolarHBondContact O-CB 3.33Å; I428-L432 VanDerWaalsContact O-CG 3.28Å; I428-L432 WeakPolarHBondContact O-CG 3.4Å; I428-L432 PolarHBondContact O-N 3.35Å; I428-L432 VanDerWaalsContact O-N 3.1Å
429	V	91.8	Very high	88.5	Confident	10 Å²	10	47.8 Å²	47.8	6%	0.061	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-47.1	175.4	170.9	0	0	0	0	111.3	A311 W425 K426 I431 L432 W433	A311-V429 HydrophobicContact CB-CG2 4.23Å; A311-V429 VanDerWaalsContact O-CG2 3.28Å; A311-V429 WeakPolarHBondContact O-CG2 3.42Å; W425-V429 HydrophobicContact CD2-CG2 3.99Å; W425-V429 HydrophobicContact CE3-CG2 4.39Å; W425-V429 HydrophobicContact CH2-CG2 4.13Å; W425-V429 HydrophobicContact CZ2-CG2 3.69Å; W425-V429 HydrophobicContact CZ3-CG2 4.45Å; W425-V429 WeakPolarHBondContact O-CG2 3.37Å; W425-V429 PolarHBondContact O-N 2.69Å; K426-V429 PolarHBondContact O-N 2.91Å; V429-I431 PolarHBondContact O-N 3.34Å; V429-L432 PolarHBondContact O-N 2.86Å; V429-W433 WeakPolarHBondContact O-CB 3.1Å; V429-W433 PolarHBondContact O-N 2.84Å
430	D	93.6	Very high	89.5	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.011	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-40.5	-178.9	-70.1	-9.5	0	0	0	111.5	S292 K426 Q427 L432 S434	S292-D430 WeakPolarHBondContact CB-OD2 3.14Å; S292-D430 PolarHBondContact OG-OD2 3.2Å; K426-D430 IonicContact NZ-OD1 2.92Å; K426-D430 PolarHBondContact NZ-OD1 3.06Å; K426-D430 IonicContact NZ-OD2 3.85Å; K426-D430 PolarHBondContact NZ-OD2 2.88Å; K426-D430 WeakPolarHBondContact O-CB 3.3Å; K426-D430 VanDerWaalsContact O-CG 3.27Å; K426-D430 PolarHBondContact O-N 2.84Å; Q427-D430 PolarHBondContact O-N 2.7Å; D430-L432 VanDerWaalsContact C-N 3.3Å; D430-L432 PolarHBondContact O-N 2.82Å; D430-S434 WeakPolarHBondContact CA-OG 3.26Å; D430-S434 WeakPolarHBondContact O-CB 3.43Å; D430-S434 PolarHBondContact O-N 2.91Å; D430-S434 PolarHBondContact O-OG 3.48Å
431	I	95.8	Very high	90.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-31.6	176.2	-71.7	-62.8	0	0	0	112.4	I276 V287 G289 G290 T295 L300 Q427 I428 V429	I276-I431 HydrophobicContact CB-CG2 4.31Å; I276-I431 WeakPolarHBondContact O-CG2 3.3Å; V287-I431 HydrophobicContact CB-CG2 4.3Å; V287-I431 HydrophobicContact CG1-CD1 3.97Å; V287-I431 HydrophobicContact CG1-CG2 4.38Å; G289-I431 CarbonylContact C-O 3.48Å; G289-I431 WeakPolarHBondContact CA-O 3.12Å; G289-I431 PolarHBondContact N-O 3.38Å; G290-I431 PolarHBondContact N-O 2.97Å; G290-I431 WeakPolarHBondContact O-CD1 3.37Å; T295-I431 HydrophobicContact CG2-CD1 4.13Å; L300-I431 HydrophobicContact CD1-CD1 3.72Å; L300-I431 HydrophobicContact CD1-CG1 3.68Å; L300-I431 HydrophobicContact CD2-CG1 3.73Å; L300-I431 HydrophobicContact CG-CG1 4.39Å; Q427-I431 WeakPolarHBondContact O-CB 3.44Å; Q427-I431 VanDerWaalsContact O-CG1 3.25Å; Q427-I431 WeakPolarHBondContact O-CG1 3.22Å; Q427-I431 PolarHBondContact O-N 3.27Å; I428-I431 PolarHBondContact O-N 2.88Å; V429-I431 PolarHBondContact O-N 3.34Å
432	L	94.8	Very high	91.2	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-95.5	-23.3	-177	-64.2	178.5	0	0	0	114.8	R234 N236 H288 A311 I428 V429 D430	R234-L432 HydrophobicContact CB-CD2 4.33Å; R234-L432 WeakPolarHBondContact O-CD2 3.44Å; N236-L432 HydrophobicContact CB-CB 4.47Å; H288-L432 HydrophobicContact CB-CD2 4.44Å; H288-L432 PolarHBondContact CD2-O 3.13Å; A311-L432 HydrophobicContact CB-CD1 4.17Å; I428-L432 HydrophobicContact CG2-CD1 3.8Å; I428-L432 HydrophobicContact CG2-CG 4.46Å; I428-L432 WeakPolarHBondContact O-CB 3.33Å; I428-L432 VanDerWaalsContact O-CG 3.28Å; I428-L432 WeakPolarHBondContact O-CG 3.4Å; I428-L432 PolarHBondContact O-N 3.35Å; I428-L432 VanDerWaalsContact O-N 3.1Å; V429-L432 PolarHBondContact O-N 2.86Å; D430-L432 VanDerWaalsContact C-N 3.3Å; D430-L432 PolarHBondContact O-N 2.82Å
433	W	94.2	Very high	91.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-127	-0.1	-169.7	-71.1	90.2	0	0	0	116.2	E57 N236 M242 L312 V429 N445 R448 G450 H475	E57-W433 HydrophobicContact CB-CH2 4.47Å; E57-W433 HydrophobicContact CB-CZ3 4.06Å; E57-W433 HydrophobicContact CG-CH2 4.33Å; E57-W433 HydrophobicContact CG-CZ3 4.08Å; N236-W433 HydrophobicContact CB-CD2 4.02Å; N236-W433 HydrophobicContact CB-CG 4.46Å; N236-W433 HydrophobicContact CB-CH2 4.28Å; N236-W433 HydrophobicContact CB-CZ2 3.66Å; N236-W433 WeakPolarHBondContact ND2-CH2 3.12Å; N236-W433 VanDerWaalsContact ND2-CZ2 3.34Å; N236-W433 WeakPolarHBondContact ND2-CZ2 3.17Å; N236-W433 WeakPolarHBondContact ND2-CZ3 3.14Å; M242-W433 HydrophobicContact CE-CH2 3.81Å; M242-W433 HydrophobicContact CE-CZ2 4.19Å; M242-W433 HydrophobicContact CG-CH2 4.49Å; M242-W433 HydrophobicContact CG-CZ2 4.32Å; M242-W433 HydrophobicContact SD-CH2 3.93Å; M242-W433 HydrophobicContact SD-CZ2 4.34Å; L312-W433 HydrophobicContact CD1-CZ2 4Å; L312-W433 HydrophobicContact CD2-CH2 4.41Å; L312-W433 HydrophobicContact CD2-CZ2 3.65Å; L312-W433 HydrophobicContact CG-CZ2 4.1Å; V429-W433 WeakPolarHBondContact O-CB 3.1Å; V429-W433 PolarHBondContact O-N 2.84Å; W433-N445 PolarHBondContact O-ND2 3.06Å; W433-R448 HydrophobicContact CE3-CB 4.23Å; W433-R448 HydrophobicContact CZ3-CB 4.39Å; W433-G450 VanDerWaalsContact CB-C 3.49Å; W433-G450 WeakPolarHBondContact CB-O 3.29Å; W433-H475 AromaticContact CE3-CE1 3.75Å; W433-H475 AromaticContact CE3-NE2 3.84Å
434	S	95.3	Very high	91.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.			trans	-82.7	136.2	-177.9	-57.7	0	0	0	0	113.5	G289 G290 D430 C452	G289-S434 CarbonylContact C-O 3.56Å; G290-S434 WeakPolarHBondContact CA-O 3.34Å; G290-S434 PolarHBondContact N-O 3.37Å; D430-S434 WeakPolarHBondContact CA-OG 3.26Å; D430-S434 WeakPolarHBondContact O-CB 3.43Å; D430-S434 PolarHBondContact O-N 2.91Å; D430-S434 PolarHBondContact O-OG 3.48Å; S434-C452 CarbonylContact C-O 3.58Å; S434-C452 WeakPolarHBondContact CA-O 3.37Å; S434-C452 WeakPolarHBondContact CB-O 3.45Å; S434-C452 PolarHBondContact OG-N 3.31Å; S434-C452 VanDerWaalsContact OG-N 3.12Å; S434-C452 PolarHBondContact OG-SG 2.99Å
435	D	94.7	Very high	91.8	Very high	2 Å²	2	41 Å²	41	1%	0.011	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	146	177.9	-65.4	-57	0	0	0	111.1	N445 R448 C452 Y453 F454 H475 E476	D435-N445 PolarHBondContact OD2-ND2 3.3Å; D435-R448 IonicContact OD1-CZ 2.77Å; D435-R448 IonicContact OD1-NE 2.65Å; D435-R448 PolarHBondContact OD1-NE 3.41Å; D435-R448 IonicContact OD1-NH2 3.96Å; D435-R448 PolarHBondContact OD1-NH2 3.47Å; D435-R448 IonicContact OD2-CZ 3.72Å; D435-R448 IonicContact OD2-NE 3.35Å; D435-R448 PolarHBondContact OD2-NE 3.05Å; D435-R448 IonicContact OD2-NH2 3.81Å; D435-C452 PolarHBondContact N-O 3.06Å; D435-Y453 HydrophobicContact CB-CD1 3.73Å; D435-Y453 HydrophobicContact CB-CE1 3.65Å; D435-Y453 VanDerWaalsContact O-CA 3.29Å; D435-Y453 WeakPolarHBondContact O-CA 3.45Å; D435-F454 WeakPolarHBondContact O-CD1 3.42Å; D435-F454 WeakPolarHBondContact O-CE1 3.43Å; D435-F454 PolarHBondContact O-N 3.12Å; D435-H475 IonicContact OD1-CD2 3.86Å; D435-E476 WeakPolarHBondContact OD1-CG 3.46Å
436	P	95.1	Very high	91.2	Very high	19 Å²	19	42.9 Å²	42.9	12%	0.123	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	150.2	172.5	30	-34	0	0	0	112	F454	P436-F454 HydrophobicContact CB-CE1 4.23Å; P436-F454 HydrophobicContact CB-CE2 4.03Å; P436-F454 HydrophobicContact CB-CZ 3.78Å; P436-F454 HydrophobicContact CG-CZ 4.46Å
437	K	92.4	Very high	90.2	Very high	39 Å²	39	44.3 Å²	44.3	17%	0.17	25%	0.253	C	S	.	.			trans	-134.8	145.5	172.6	57.6	157.7	-178.3	177.8	0	112.9	Q439 E440 G441 S443 Y453 F454 H486	K437-Q439 HydrophobicContact CD-CB 4.42Å; K437-Q439 WeakPolarHBondContact CD-O 3.43Å; K437-Q439 WeakPolarHBondContact CE-O 3.28Å; K437-Q439 WeakPolarHBondContact CG-O 3.42Å; K437-Q439 PolarHBondContact O-N 3.18Å; K437-E440 PolarHBondContact NZ-O 2.9Å; K437-G441 WeakPolarHBondContact CE-O 3.29Å; K437-G441 PolarHBondContact NZ-O 3.26Å; K437-G441 VanDerWaalsContact NZ-O 3.09Å; K437-S443 PolarHBondContact NZ-OG 2.84Å; K437-Y453 VanDerWaalsContact CE-O 3.29Å; K437-Y453 WeakPolarHBondContact CE-O 3.28Å; K437-F454 WeakPolarHBondContact CG-O 3.25Å; K437-F454 PolarHBondContact N-O 2.96Å; K437-H486 PolarHBondContact O-NE2 2.96Å
438	T	88.8	Confident	89.2	Confident	140 Å²	140	44 Å²	44	86%	0.859	25%	0.252	S	S	*	.	S	Bend	trans	-66	-20.5	-179.7	-35.6	0	0	0	0	114.1
439	Q	90.9	Very high	87.9	Confident	150 Å²	150	45.3 Å²	45.3	70%	0.701	27%	0.265	S	S	*	.	S	Bend	trans	-93.6	148.5	179.4	-62	177.1	4.9	0	0	111	K437 G455	K437-Q439 HydrophobicContact CD-CB 4.42Å; K437-Q439 WeakPolarHBondContact CD-O 3.43Å; K437-Q439 WeakPolarHBondContact CE-O 3.28Å; K437-Q439 WeakPolarHBondContact CG-O 3.42Å; K437-Q439 PolarHBondContact O-N 3.18Å; Q439-G455 WeakPolarHBondContact O-CA 3.41Å
440	E	93.3	Very high	87.2	Confident	147 Å²	147	45.1 Å²	45.1	69%	0.687	27%	0.265	S	S	*	.	S	Bend	trans	-67.1	168.3	-179.9	-62.8	-171.1	155.1	0	0	114.2	K437 P456 D457	K437-E440 PolarHBondContact NZ-O 2.9Å; E440-P456 HydrophobicContact CG-CG 4.23Å; E440-D457 VanDerWaalsContact CA-OD1 3.31Å; E440-D457 WeakPolarHBondContact CA-OD1 3.47Å; E440-D457 HydrophobicContact CB-CB 4.47Å; E440-D457 HydrophobicContact CG-CB 4.38Å
441	G	92.9	Very high	87	Confident	24 Å²	24	45.7 Å²	45.7	25%	0.247	27%	0.271	C	S	.	.	S	Bend	trans	81.9	179.9	178.4	0	0	0	0	0	113.7	K437 G455 D457	K437-G441 WeakPolarHBondContact CE-O 3.29Å; K437-G441 PolarHBondContact NZ-O 3.26Å; K437-G441 VanDerWaalsContact NZ-O 3.09Å; G441-G455 PolarHBondContact O-N 3.01Å; G441-D457 VanDerWaalsContact N-CG 3.34Å; G441-D457 PolarHBondContact N-OD1 2.94Å; G441-D457 PolarHBondContact N-OD2 3.1Å
442	C	94	Very high	86.9	Confident	40 Å²	40	45.8 Å²	45.8	27%	0.27	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	146.2	170.9	-173.4	0	0	0	0	109.6	D293 V458	D293-C442 HydrophobicContact CB-CB 3.7Å; D293-C442 VanDerWaalsContact CG-CB 3.41Å; D293-C442 WeakPolarHBondContact OD1-CB 3.49Å; D293-C442 PolarHBondContact OD1-SG 3.19Å; C442-V458 HydrophobicContact CB-CG2 4.28Å
443	S	91.1	Very high	86.8	Confident	40 Å²	40	48.3 Å²	48.3	28%	0.28	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	136.3	-179.9	41.3	0	0	0	0	110.1	K437 C452 Y453	K437-S443 PolarHBondContact NZ-OG 2.84Å; S443-C452 CarbonylContact O-C 3.56Å; S443-C452 WeakPolarHBondContact O-CA 3.44Å; S443-C452 WeakPolarHBondContact O-CB 2.84Å; S443-Y453 PolarHBondContact N-O 3.09Å; S443-Y453 VanDerWaalsContact N-O 3.09Å; S443-Y453 PolarHBondContact O-N 3.46Å; S443-Y453 PolarHBondContact OG-O 3.2Å
444	P	86.9	Confident	86.9	Confident	110 Å²	110	48.3 Å²	48.3	71%	0.714	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.3	144.2	-179	-26.8	35	0	0	0	113.4	S446	P444-S446 VanDerWaalsContact C-N 3.34Å; P444-S446 PolarHBondContact O-N 3.31Å
445	N	84.3	Confident	86.9	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	28%	0.282	C	S	.	.			trans	-80.8	81	179.5	-171.4	-18.5	0	0	0	110.3	W433 D435 F447 R448 G449 G450 G451 Y453	W433-N445 PolarHBondContact O-ND2 3.06Å; D435-N445 PolarHBondContact OD2-ND2 3.3Å; N445-F447 PolarHBondContact O-N 2.85Å; N445-F447 VanDerWaalsContact O-N 3.07Å; N445-F447 PolarHBondContact OD1-N 3.47Å; N445-R448 PolarHBondContact OD1-N 2.75Å; N445-G449 WeakPolarHBondContact O-CA 3.49Å; N445-G449 PolarHBondContact O-N 2.9Å; N445-G450 VanDerWaalsContact CB-O 3.32Å; N445-G450 WeakPolarHBondContact CB-O 3.34Å; N445-G451 PolarHBondContact N-O 2.95Å; N445-Y453 HydrophobicContact CB-CD2 4.31Å; N445-Y453 HydrophobicContact CB-CE2 4.19Å; N445-Y453 WeakPolarHBondContact OD1-CE2 3.39Å; N445-Y453 VanDerWaalsContact OD1-CZ 3.3Å; N445-Y453 PolarHBondContact OD1-OH 3.03Å
446	S	72.3	Confident	87	Confident	99 Å²	99	49.5 Å²	49.5	69%	0.692	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	16.2	179.9	70.7	0	0	0	0	114.5	Q58 P444	Q58-S446 PolarHBondContact OE1-O 3.2Å; Q58-S446 VanDerWaalsContact OE1-O 3.13Å; P444-S446 VanDerWaalsContact C-N 3.34Å; P444-S446 PolarHBondContact O-N 3.31Å
447	F	68.2	Low	87.1	Confident	93 Å²	93	50 Å²	50	41%	0.408	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-21.4	-179.2	-151.9	-90.3	0	0	0	113	Y54 Q58 N445 Y453	Y54-F447 CarbonylContact C-O 3.59Å; Y54-F447 VanDerWaalsContact CB-CD1 3.5Å; Y54-F447 AromaticContact CD2-CD1 3.6Å; Y54-F447 HydrophobicContact CD2-CD1 3.6Å; Y54-F447 AromaticContact CD2-CE1 3.8Å; Y54-F447 HydrophobicContact CD2-CE1 3.8Å; Y54-F447 HydrophobicContact CG-CD1 4.05Å; Y54-F447 HydrophobicContact CG-CE1 4.25Å; Q58-F447 VanDerWaalsContact OE1-N 3.17Å; N445-F447 PolarHBondContact O-N 2.85Å; N445-F447 VanDerWaalsContact O-N 3.07Å; N445-F447 PolarHBondContact OD1-N 3.47Å; F447-Y453 WeakPolarHBondContact CB-OH 3.46Å
448	R	71.8	Confident	87.3	Confident	3 Å²	3	48.2 Å²	48.2	1%	0.011	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-23.6	162	-60	-171.9	-170.3	-118.6	26.1	113.8	Y54 E57 Q58 V61 W433 D435 N445 G450 H475	Y54-R448 HydrophobicContact CD1-CG 4.36Å; Y54-R448 VanDerWaalsContact CE1-NH1 3.26Å; Y54-R448 HydrophobicContact CG-CG 4.32Å; Y54-R448 PolarHBondContact OH-NH2 2.94Å; E57-R448 CarbonylContact C-O 3.53Å; E57-R448 HydrophobicContact CB-CB 4.46Å; E57-R448 IonicContact OE1-NH1 3.94Å; E57-R448 IonicContact OE2-CZ 2.98Å; E57-R448 IonicContact OE2-NE 2.63Å; E57-R448 IonicContact OE2-NH1 3.76Å; E57-R448 PolarHBondContact OE2-NH1 3.08Å; Q58-R448 WeakPolarHBondContact CA-O 3.33Å; Q58-R448 PolarHBondContact N-O 2.92Å; V61-R448 WeakPolarHBondContact CG2-O 3.35Å; W433-R448 HydrophobicContact CE3-CB 4.23Å; W433-R448 HydrophobicContact CZ3-CB 4.39Å; D435-R448 IonicContact OD1-CZ 2.77Å; D435-R448 IonicContact OD1-NE 2.65Å; D435-R448 PolarHBondContact OD1-NE 3.41Å; D435-R448 IonicContact OD1-NH2 3.96Å; D435-R448 PolarHBondContact OD1-NH2 3.47Å; D435-R448 IonicContact OD2-CZ 3.72Å; D435-R448 IonicContact OD2-NE 3.35Å; D435-R448 PolarHBondContact OD2-NE 3.05Å; D435-R448 IonicContact OD2-NH2 3.81Å; N445-R448 PolarHBondContact OD1-N 2.75Å; R448-G450 VanDerWaalsContact C-N 3.35Å; R448-G450 PolarHBondContact O-N 3.43Å; R448-H475 WeakPolarHBondContact CD-NE2 3.33Å; R448-H475 PolarHBondContact NE-NE2 3.17Å; R448-H475 PolarHBondContact NH1-NE2 3.18Å; R448-H475 PolarHBondContact NH1-O 2.69Å; R448-H475 PolarHBondContact NH2-CD2 2.58Å; R448-H475 PolarHBondContact NH2-O 3Å
449	G	64.6	Low	87.7	Confident	27 Å²	27	41.5 Å²	41.5	28%	0.278	24%	0.243	S	C	.	.	S	Bend	trans	91.2	-23.5	177.3	0	0	0	0	0	115.2	Q58 N445	Q58-G449 VanDerWaalsContact OE1-CA 3.27Å; N445-G449 WeakPolarHBondContact O-CA 3.49Å; N445-G449 PolarHBondContact O-N 2.9Å
450	G	77.2	Confident	88	Confident	7 Å²	7	39.4 Å²	39.4	7%	0.072	23%	0.233	C	C	.	.	S	Bend	trans	-109.8	152.7	171.7	0	0	0	0	0	112	W433 N445 R448	W433-G450 VanDerWaalsContact CB-C 3.49Å; W433-G450 WeakPolarHBondContact CB-O 3.29Å; N445-G450 VanDerWaalsContact CB-O 3.32Å; N445-G450 WeakPolarHBondContact CB-O 3.34Å; R448-G450 VanDerWaalsContact C-N 3.35Å; R448-G450 PolarHBondContact O-N 3.43Å
451	G	88.9	Confident	88.1	Confident	14 Å²	14	38.4 Å²	38.4	14%	0.144	22%	0.223	C	C	.	.	S	Bend	trans	72.3	-160.3	176.5	0	0	0	0	0	114.6	N445	N445-G451 PolarHBondContact N-O 2.95Å
452	C	92.8	Very high	88.2	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.02	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	161.2	-178.5	72.8	0	0	0	0	113.7	I291 S292 S434 D435 S443	I291-C452 PolarHBondContact O-SG 2.95Å; I291-C452 VanDerWaalsContact O-SG 3.33Å; S292-C452 WeakPolarHBondContact CB-SG 3.22Å; S434-C452 CarbonylContact C-O 3.58Å; S434-C452 WeakPolarHBondContact CA-O 3.37Å; S434-C452 WeakPolarHBondContact CB-O 3.45Å; S434-C452 PolarHBondContact OG-N 3.31Å; S434-C452 VanDerWaalsContact OG-N 3.12Å; S434-C452 PolarHBondContact OG-SG 2.99Å; D435-C452 PolarHBondContact N-O 3.06Å; S443-C452 CarbonylContact O-C 3.56Å; S443-C452 WeakPolarHBondContact O-CA 3.44Å; S443-C452 WeakPolarHBondContact O-CB 2.84Å
453	Y	92.8	Very high	88.3	Confident	55 Å²	55	36.2 Å²	36.2	22%	0.216	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	118.2	160.8	-68.7	-66	0	0	0	110	D435 K437 S443 N445 F447	D435-Y453 HydrophobicContact CB-CD1 3.73Å; D435-Y453 HydrophobicContact CB-CE1 3.65Å; D435-Y453 VanDerWaalsContact O-CA 3.29Å; D435-Y453 WeakPolarHBondContact O-CA 3.45Å; K437-Y453 VanDerWaalsContact CE-O 3.29Å; K437-Y453 WeakPolarHBondContact CE-O 3.28Å; S443-Y453 PolarHBondContact N-O 3.09Å; S443-Y453 VanDerWaalsContact N-O 3.09Å; S443-Y453 PolarHBondContact O-N 3.46Å; S443-Y453 PolarHBondContact OG-O 3.2Å; N445-Y453 HydrophobicContact CB-CD2 4.31Å; N445-Y453 HydrophobicContact CB-CE2 4.19Å; N445-Y453 WeakPolarHBondContact OD1-CE2 3.39Å; N445-Y453 VanDerWaalsContact OD1-CZ 3.3Å; N445-Y453 PolarHBondContact OD1-OH 3.03Å; F447-Y453 WeakPolarHBondContact CB-OH 3.46Å
454	F	96.8	Very high	88.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.4	-178.8	65.6	-86.2	0	0	0	112.8	I291 D435 P436 K437 V458 L471 H486 V490	I291-F454 HydrophobicContact CD1-CD2 4.05Å; I291-F454 HydrophobicContact CD1-CE2 4.2Å; I291-F454 HydrophobicContact CG1-CB 4.44Å; I291-F454 HydrophobicContact CG1-CD1 4.24Å; I291-F454 HydrophobicContact CG1-CD2 3.54Å; I291-F454 HydrophobicContact CG1-CE1 4.4Å; I291-F454 HydrophobicContact CG1-CE2 3.72Å; I291-F454 HydrophobicContact CG1-CG 3.83Å; I291-F454 HydrophobicContact CG1-CZ 4.15Å; I291-F454 VanDerWaalsContact O-CB 3.31Å; I291-F454 WeakPolarHBondContact O-CB 3.27Å; I291-F454 WeakPolarHBondContact O-CD1 3.27Å; I291-F454 VanDerWaalsContact O-CG 3.29Å; I291-F454 WeakPolarHBondContact O-CG 3.48Å; D435-F454 WeakPolarHBondContact O-CD1 3.42Å; D435-F454 WeakPolarHBondContact O-CE1 3.43Å; D435-F454 PolarHBondContact O-N 3.12Å; P436-F454 HydrophobicContact CB-CE1 4.23Å; P436-F454 HydrophobicContact CB-CE2 4.03Å; P436-F454 HydrophobicContact CB-CZ 3.78Å; P436-F454 HydrophobicContact CG-CZ 4.46Å; K437-F454 WeakPolarHBondContact CG-O 3.25Å; K437-F454 PolarHBondContact N-O 2.96Å; F454-V458 HydrophobicContact CB-CB 4.06Å; F454-V458 HydrophobicContact CB-CG1 3.96Å; F454-V458 HydrophobicContact CB-CG2 4.26Å; F454-L471 HydrophobicContact CE2-CD2 4.12Å; F454-L471 HydrophobicContact CZ-CD2 4.15Å; F454-H486 AromaticContact CD2-CE1 3.68Å; F454-H486 AromaticContact CE2-CE1 3.67Å; F454-H486 PolarHBondContact O-CE1 2.79Å; F454-V490 HydrophobicContact CE2-CG2 4.27Å
455	G	95.9	Very high	88.9	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.			trans	-84	174	-179.8	0	0	0	0	0	115.3	Q439 G441 D457 V458 T459	Q439-G455 WeakPolarHBondContact O-CA 3.41Å; G441-G455 PolarHBondContact O-N 3.01Å; G455-D457 PolarHBondContact O-N 3.05Å; G455-V458 WeakPolarHBondContact O-CB 3.4Å; G455-V458 PolarHBondContact O-N 3.11Å; G455-V458 VanDerWaalsContact O-N 3.12Å; G455-T459 PolarHBondContact O-N 3.3Å
456	P	96.9	Very high	89.4	Confident	26 Å²	26	44 Å²	44	17%	0.169	22%	0.223	C	C	.	.	H	α-helix	trans	-63.7	-26.3	177.6	26.3	-35.2	0	0	0	113.6	E440 Q460 H486	E440-P456 HydrophobicContact CG-CG 4.23Å; P456-Q460 WeakPolarHBondContact O-CB 3.25Å; P456-Q460 PolarHBondContact O-N 3.41Å; P456-H486 HydrophobicContact CB-CB 3.84Å
457	D	96.3	Very high	90.4	Very high	29 Å²	29	41.3 Å²	41.3	16%	0.155	21%	0.211	C	C	.	.	H	α-helix	trans	-68.7	-38.7	173.6	68.9	-60.2	0	0	0	112	E440 G441 G455 Q460 R461	E440-D457 VanDerWaalsContact CA-OD1 3.31Å; E440-D457 WeakPolarHBondContact CA-OD1 3.47Å; E440-D457 HydrophobicContact CB-CB 4.47Å; E440-D457 HydrophobicContact CG-CB 4.38Å; G441-D457 VanDerWaalsContact N-CG 3.34Å; G441-D457 PolarHBondContact N-OD1 2.94Å; G441-D457 PolarHBondContact N-OD2 3.1Å; G455-D457 PolarHBondContact O-N 3.05Å; D457-Q460 PolarHBondContact O-N 3.32Å; D457-R461 WeakPolarHBondContact O-CG 3.28Å; D457-R461 PolarHBondContact O-N 3.45Å; D457-R461 PolarHBondContact O-NH1 2.72Å; D457-R461 IonicContact OD2-CZ 3.66Å; D457-R461 IonicContact OD2-NH1 3.65Å; D457-R461 PolarHBondContact OD2-NH1 2.7Å; D457-R461 IonicContact OD2-NH2 3.22Å; D457-R461 PolarHBondContact OD2-NH2 3.25Å
458	V	96.9	Very high	91.7	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-49.4	175.8	-179.1	0	0	0	0	109.6	I291 S292 C442 F454 G455 Q460 R461 L462	I291-V458 HydrophobicContact CD1-CG1 4.1Å; I291-V458 HydrophobicContact CG1-CG1 4.28Å; S292-V458 VanDerWaalsContact C-CG1 3.46Å; S292-V458 WeakPolarHBondContact O-CG1 3.47Å; C442-V458 HydrophobicContact CB-CG2 4.28Å; F454-V458 HydrophobicContact CB-CB 4.06Å; F454-V458 HydrophobicContact CB-CG1 3.96Å; F454-V458 HydrophobicContact CB-CG2 4.26Å; G455-V458 WeakPolarHBondContact O-CB 3.4Å; G455-V458 PolarHBondContact O-N 3.11Å; G455-V458 VanDerWaalsContact O-N 3.12Å; V458-Q460 PolarHBondContact O-N 3.07Å; V458-R461 PolarHBondContact O-N 2.76Å; V458-L462 PolarHBondContact O-N 2.77Å
459	T	97	Very high	92.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.3	-46.9	173.5	-60.2	0	0	0	0	111.7	G455 R461 L462 L463 H486 R489 V490	G455-T459 PolarHBondContact O-N 3.3Å; T459-R461 PolarHBondContact O-N 2.9Å; T459-L462 PolarHBondContact O-N 3.37Å; T459-L463 HydrophobicContact CG2-CD1 3.58Å; T459-L463 HydrophobicContact CG2-CG 4Å; T459-L463 WeakPolarHBondContact O-CB 3.22Å; T459-L463 VanDerWaalsContact O-CG 3.3Å; T459-L463 WeakPolarHBondContact O-CG 3.3Å; T459-L463 PolarHBondContact O-N 3.07Å; T459-H486 PolarHBondContact OG1-ND1 3.32Å; T459-R489 HydrophobicContact CG2-CB 4.22Å; T459-V490 HydrophobicContact CG2-CG2 3.62Å; T459-V490 WeakPolarHBondContact OG1-CG2 3.34Å
460	Q	96.3	Very high	94.3	Very high	106 Å²	106	42.9 Å²	42.9	50%	0.495	21%	0.213	S	C	.	.	H	α-helix	trans	-62.9	-40.9	-179.3	-179.2	159.2	-28.6	0	0	112.5	P456 D457 V458 H464 R489	P456-Q460 WeakPolarHBondContact O-CB 3.25Å; P456-Q460 PolarHBondContact O-N 3.41Å; D457-Q460 PolarHBondContact O-N 3.32Å; V458-Q460 PolarHBondContact O-N 3.07Å; Q460-H464 VanDerWaalsContact O-CB 3.22Å; Q460-H464 WeakPolarHBondContact O-CB 3.29Å; Q460-H464 PolarHBondContact O-N 3.16Å; Q460-H464 VanDerWaalsContact O-N 3.08Å; Q460-R489 VanDerWaalsContact CD-NH1 3.33Å; Q460-R489 VanDerWaalsContact OE1-CZ 3.29Å
461	R	96.4	Very high	95.3	Very high	126 Å²	126	42.5 Å²	42.5	48%	0.475	21%	0.209	S	C	.	.	H	α-helix	trans	-62.3	-48.4	174.9	-75.7	-170.1	-63.1	-80	1	112	D457 V458 T459 H464 K465	D457-R461 WeakPolarHBondContact O-CG 3.28Å; D457-R461 PolarHBondContact O-N 3.45Å; D457-R461 PolarHBondContact O-NH1 2.72Å; D457-R461 IonicContact OD2-CZ 3.66Å; D457-R461 IonicContact OD2-NH1 3.65Å; D457-R461 PolarHBondContact OD2-NH1 2.7Å; D457-R461 IonicContact OD2-NH2 3.22Å; D457-R461 PolarHBondContact OD2-NH2 3.25Å; V458-R461 PolarHBondContact O-N 2.76Å; T459-R461 PolarHBondContact O-N 2.9Å; R461-H464 PolarHBondContact O-N 2.89Å; R461-K465 WeakPolarHBondContact O-CB 3.43Å; R461-K465 PolarHBondContact O-N 3.39Å
462	L	95.8	Very high	95.7	Very high	9 Å²	9	41.9 Å²	41.9	5%	0.047	20%	0.203	C	C	.	.	H	α-helix	trans	-66.8	-45.4	-177.5	-177	131	0	0	0	112.3	L285 I291 T295 V458 T459 H464 K465 H466 L468	L285-L462 HydrophobicContact CD2-CD2 3.97Å; I291-L462 HydrophobicContact CB-CD1 4.31Å; I291-L462 HydrophobicContact CD1-CB 4.06Å; I291-L462 HydrophobicContact CD1-CD1 4.32Å; I291-L462 HydrophobicContact CD1-CD2 4.18Å; I291-L462 HydrophobicContact CD1-CG 4.41Å; I291-L462 HydrophobicContact CG2-CD1 4.13Å; I291-L462 HydrophobicContact CG2-CD2 4.29Å; T295-L462 HydrophobicContact CG2-CD1 3.56Å; V458-L462 PolarHBondContact O-N 2.77Å; T459-L462 PolarHBondContact O-N 3.37Å; L462-H464 VanDerWaalsContact C-N 3.34Å; L462-H464 PolarHBondContact O-N 3.47Å; L462-K465 PolarHBondContact O-N 2.98Å; L462-H466 PolarHBondContact O-N 3.14Å; L462-L468 HydrophobicContact CD2-CD1 4.4Å
463	L	95.9	Very high	96	Very high	8 Å²	8	41.8 Å²	41.8	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-61.6	-43.5	177.9	-67.8	179.3	0	0	0	111.1	T459 G467 L468 R489	T459-L463 HydrophobicContact CG2-CD1 3.58Å; T459-L463 HydrophobicContact CG2-CG 4Å; T459-L463 WeakPolarHBondContact O-CB 3.22Å; T459-L463 VanDerWaalsContact O-CG 3.3Å; T459-L463 WeakPolarHBondContact O-CG 3.3Å; T459-L463 PolarHBondContact O-N 3.07Å; L463-G467 PolarHBondContact O-N 2.74Å; L463-L468 HydrophobicContact CB-CB 4.37Å; L463-L468 HydrophobicContact CD2-CB 3.49Å; L463-L468 VanDerWaalsContact CD2-CB 3.49Å; L463-L468 HydrophobicContact CD2-CD1 4.19Å; L463-L468 PolarHBondContact O-N 3.17Å; L463-R489 HydrophobicContact CD1-CB 3.88Å; L463-R489 HydrophobicContact CD1-CG 4.44Å
464	H	95.6	Very high	96.2	Very high	164 Å²	164	39.1 Å²	39.1	76%	0.759	19%	0.191	S	C	*	.	H	α-helix	trans	-65.5	-43.5	176.3	-172.3	-72	0	0	0	112.6	Q460 R461 L462 H466 G467	Q460-H464 VanDerWaalsContact O-CB 3.22Å; Q460-H464 WeakPolarHBondContact O-CB 3.29Å; Q460-H464 PolarHBondContact O-N 3.16Å; Q460-H464 VanDerWaalsContact O-N 3.08Å; R461-H464 PolarHBondContact O-N 2.89Å; L462-H464 VanDerWaalsContact C-N 3.34Å; L462-H464 PolarHBondContact O-N 3.47Å; H464-H466 VanDerWaalsContact C-N 3.29Å; H464-H466 PolarHBondContact O-N 2.93Å; H464-G467 PolarHBondContact O-N 2.97Å
465	K	94.6	Very high	96.1	Very high	108 Å²	108	39.6 Å²	39.6	47%	0.47	19%	0.193	S	C	.	.	H	α-helix	trans	-56.3	-42.1	179.4	179.5	-173.5	169.8	-152.4	0	112.1	D296 R461 L462	D296-K465 IonicContact OD2-NZ 2.76Å; D296-K465 PolarHBondContact OD2-NZ 3.31Å; R461-K465 WeakPolarHBondContact O-CB 3.43Å; R461-K465 PolarHBondContact O-N 3.39Å; L462-K465 PolarHBondContact O-N 2.98Å
466	H	94.3	Very high	95.8	Very high	46 Å²	46	40.3 Å²	40.3	21%	0.213	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	12	-174.7	-64.9	-75.1	0	0	0	114	L297 L462 H464 L468	L297-H466 HydrophobicContact CD1-CB 4.04Å; L462-H466 PolarHBondContact O-N 3.14Å; H464-H466 VanDerWaalsContact C-N 3.29Å; H464-H466 PolarHBondContact O-N 2.93Å; H466-L468 HydrophobicContact CB-CD1 3.99Å; H466-L468 HydrophobicContact CB-CG 4.11Å; H466-L468 PolarHBondContact O-N 3.37Å
467	G	94.2	Very high	95.2	Very high	42 Å²	42	39.3 Å²	39.3	43%	0.433	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	19.3	177	0	0	0	0	0	115.2	K283 L463 H464	K283-G467 PolarHBondContact NZ-O 2.98Å; L463-G467 PolarHBondContact O-N 2.74Å; H464-G467 PolarHBondContact O-N 2.97Å
468	L	95.7	Very high	94.7	Very high	17 Å²	17	38.9 Å²	38.9	9%	0.089	19%	0.187	C	C	.	.			trans	-83.7	162.9	-179.2	-61.3	166	0	0	0	111.1	V279 L285 L297 L462 L463 H466	V279-L468 HydrophobicContact CG1-CD2 4.44Å; L285-L468 HydrophobicContact CB-CD1 3.84Å; L285-L468 HydrophobicContact CB-CD2 4.47Å; L285-L468 HydrophobicContact CD2-CD1 4.17Å; L297-L468 HydrophobicContact CD1-CD1 4.18Å; L462-L468 HydrophobicContact CD2-CD1 4.4Å; L463-L468 HydrophobicContact CB-CB 4.37Å; L463-L468 HydrophobicContact CD2-CB 3.49Å; L463-L468 VanDerWaalsContact CD2-CB 3.49Å; L463-L468 HydrophobicContact CD2-CD1 4.19Å; L463-L468 PolarHBondContact O-N 3.17Å; H466-L468 HydrophobicContact CB-CD1 3.99Å; H466-L468 HydrophobicContact CB-CG 4.11Å; H466-L468 PolarHBondContact O-N 3.37Å
469	Q	94.8	Very high	93.6	Very high	121 Å²	121	41.3 Å²	41.3	57%	0.565	20%	0.198	S	C	*	.			trans	-116.2	-30	179.6	-67	175.6	-14.9	0	0	112.8	K283	K283-Q469 HydrophobicContact CB-CG 4.4Å; K283-Q469 HydrophobicContact CD-CG 3.99Å; K283-Q469 PolarHBondContact O-N 2.75Å
470	L	96.3	Very high	92.8	Very high	17 Å²	17	44.2 Å²	44.2	9%	0.089	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	142.4	-166.8	-171.6	63.3	0	0	0	112.3	K283 I284 L285 I472 G488 I491 P518	K283-L470 PolarHBondContact O-N 3.13Å; I284-L470 WeakPolarHBondContact CA-O 3.43Å; I284-L470 HydrophobicContact CD1-CD2 4.19Å; I284-L470 HydrophobicContact CG1-CB 4.23Å; I284-L470 HydrophobicContact CG1-CD2 4.27Å; I284-L470 HydrophobicContact CG2-CB 4.34Å; I284-L470 HydrophobicContact CG2-CD2 4.28Å; I284-L470 HydrophobicContact CG2-CG 4.42Å; L285-L470 PolarHBondContact N-O 2.92Å; L470-I472 HydrophobicContact CD2-CD1 4.29Å; L470-I472 HydrophobicContact CD2-CG1 4.22Å; L470-I472 HydrophobicContact CG-CG1 4.29Å; L470-G488 WeakPolarHBondContact CD1-O 3.46Å; L470-I491 HydrophobicContact CD1-CD1 3.83Å; L470-I491 HydrophobicContact CD1-CG1 4.07Å; L470-I491 HydrophobicContact CD2-CD1 3.92Å; L470-I491 HydrophobicContact CG-CD1 4.27Å; L470-P518 HydrophobicContact CD2-CG 4.18Å
471	L	97.4	Very high	92.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.7	169	-177.3	66	0	0	0	109.6	L285 V287 I291 F454 R489 V490 I491	L285-L471 HydrophobicContact CB-CD1 4.12Å; L285-L471 HydrophobicContact CD2-CD1 3.88Å; L285-L471 HydrophobicContact CG-CD1 3.83Å; L285-L471 CarbonylContact O-C 3.44Å; L285-L471 WeakPolarHBondContact O-CA 3.39Å; V287-L471 HydrophobicContact CG2-CD1 3.84Å; I291-L471 HydrophobicContact CD1-CD2 4.19Å; I291-L471 HydrophobicContact CG1-CD2 4.25Å; I291-L471 HydrophobicContact CG2-CD1 4.42Å; I291-L471 HydrophobicContact CG2-CD2 4.21Å; F454-L471 HydrophobicContact CE2-CD2 4.12Å; F454-L471 HydrophobicContact CZ-CD2 4.15Å; L471-R489 PolarHBondContact N-O 3.07Å; L471-V490 HydrophobicContact CB-CG2 4.21Å; L471-V490 HydrophobicContact CD2-CG1 4.22Å; L471-V490 HydrophobicContact CD2-CG2 4.05Å; L471-V490 HydrophobicContact CG-CG1 4.49Å; L471-V490 CarbonylContact O-C 3.47Å; L471-V490 WeakPolarHBondContact O-CA 3.43Å; L471-I491 PolarHBondContact O-N 2.92Å
472	I	97.7	Very high	92.2	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.2	172.3	-55.9	179.3	0	0	0	108.9	I284 L285 I286 V287 L470 I491 I493 I510 L512	I284-I472 HydrophobicContact CG2-CD1 3.64Å; I284-I472 HydrophobicContact CG2-CG1 3.84Å; L285-I472 PolarHBondContact O-N 3.43Å; I286-I472 WeakPolarHBondContact CA-O 3.18Å; I286-I472 HydrophobicContact CD1-CD1 4.39Å; I286-I472 HydrophobicContact CG1-CB 4.19Å; I286-I472 HydrophobicContact CG2-CB 4.38Å; V287-I472 PolarHBondContact N-O 3.5Å; V287-I472 VanDerWaalsContact N-O 3.11Å; L470-I472 HydrophobicContact CD2-CD1 4.29Å; L470-I472 HydrophobicContact CD2-CG1 4.22Å; L470-I472 HydrophobicContact CG-CG1 4.29Å; I472-I491 CarbonylContact C-O 3.3Å; I472-I491 WeakPolarHBondContact CA-O 3.25Å; I472-I491 HydrophobicContact CG1-CB 4.45Å; I472-I493 HydrophobicContact CG2-CG2 3.86Å; I472-I510 HydrophobicContact CD1-CD1 4.09Å; I472-I510 HydrophobicContact CG2-CD1 3.84Å; I472-L512 HydrophobicContact CD1-CD1 4.17Å
473	R	97.8	Very high	92	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	163.4	-175.2	50.4	90.7	60	-123.6	-64	114.6	V287 H288 G289 E476 V490 I491 T492 I493	V287-R473 HydrophobicContact CG2-CB 4.24Å; V287-R473 WeakPolarHBondContact O-CA 3.09Å; V287-R473 WeakPolarHBondContact O-CB 3.29Å; H288-R473 PolarHBondContact O-NH2 3.13Å; G289-R473 VanDerWaalsContact O-CB 3.24Å; G289-R473 WeakPolarHBondContact O-CB 3.2Å; G289-R473 PolarHBondContact O-NE 3.14Å; G289-R473 PolarHBondContact O-NH2 3.35Å; R473-E476 IonicContact CZ-OE2 2.92Å; R473-E476 VanDerWaalsContact NH1-CG 3.3Å; R473-E476 IonicContact NH1-OE2 2.77Å; R473-E476 PolarHBondContact NH1-OE2 3.33Å; R473-V490 HydrophobicContact CG-CG1 3.85Å; R473-I491 PolarHBondContact N-O 2.84Å; R473-T492 VanDerWaalsContact CD-OG1 3.3Å; R473-T492 WeakPolarHBondContact CD-OG1 3.44Å; R473-T492 CarbonylContact O-C 3.52Å; R473-T492 WeakPolarHBondContact O-CA 3.29Å; R473-I493 PolarHBondContact O-N 3.15Å
474	S	97	Very high	91.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.			trans	-119.9	-116.6	-171.8	-38.7	0	0	0	0	112.3	G174 D175 N202 H288 E476 T492 I493	G174-S474 WeakPolarHBondContact CA-OG 3.33Å; D175-S474 WeakPolarHBondContact OD1-CB 3.42Å; N202-S474 WeakPolarHBondContact CB-OG 3.41Å; N202-S474 PolarHBondContact ND2-OG 3.25Å; N202-S474 PolarHBondContact O-OG 3.18Å; H288-S474 PolarHBondContact O-N 3.28Å; S474-E476 PolarHBondContact O-N 3.21Å; S474-T492 WeakPolarHBondContact O-CG2 3.47Å; S474-I493 WeakPolarHBondContact CA-O 3.11Å; S474-I493 WeakPolarHBondContact CB-O 3.23Å
475	H	95.1	Very high	91.7	Very high	9 Å²	9	37.5 Å²	37.5	4%	0.042	19%	0.188	C	C	.	.	S	Bend	trans	56.2	-14.5	164.9	-162.1	54.5	0	0	0	119.2	D175 N236 H288 W433 D435 R448	D175-H475 PolarHBondContact OD1-N 2.56Å; D175-H475 VanDerWaalsContact OD1-N 3.12Å; D175-H475 VanDerWaalsContact OD2-CA 3.28Å; D175-H475 WeakPolarHBondContact OD2-CA 3.38Å; D175-H475 PolarHBondContact OD2-N 3.29Å; N236-H475 PolarHBondContact OD1-CE1 3.03Å; N236-H475 PolarHBondContact OD1-ND1 2.73Å; H288-H475 AromaticContact CD2-ND1 3.93Å; H288-H475 PolarHBondContact CE1-N 2.81Å; H288-H475 WeakPolarHBondContact NE2-CB 3.4Å; H288-H475 AromaticContact NE2-CG 3.54Å; H288-H475 AromaticContact NE2-ND1 3.15Å; H288-H475 PolarHBondContact NE2-ND1 3Å; H288-H475 VanDerWaalsContact NE2-ND1 3.15Å; W433-H475 AromaticContact CE3-CE1 3.75Å; W433-H475 AromaticContact CE3-NE2 3.84Å; D435-H475 IonicContact OD1-CD2 3.86Å; R448-H475 WeakPolarHBondContact CD-NE2 3.33Å; R448-H475 PolarHBondContact NE-NE2 3.17Å; R448-H475 PolarHBondContact NH1-NE2 3.18Å; R448-H475 PolarHBondContact NH1-O 2.69Å; R448-H475 PolarHBondContact NH2-CD2 2.58Å; R448-H475 PolarHBondContact NH2-O 3Å
476	E	89	Confident	91.7	Very high	16 Å²	16	33 Å²	33	8%	0.075	17%	0.169	C	C	.	.	S	Bend	trans	-127.4	118.4	-178.1	-73.1	-178.3	92.6	0	0	108.2	D435 R473 S474 K478 T492 F494	D435-E476 WeakPolarHBondContact OD1-CG 3.46Å; R473-E476 IonicContact CZ-OE2 2.92Å; R473-E476 VanDerWaalsContact NH1-CG 3.3Å; R473-E476 IonicContact NH1-OE2 2.77Å; R473-E476 PolarHBondContact NH1-OE2 3.33Å; S474-E476 PolarHBondContact O-N 3.21Å; E476-K478 HydrophobicContact CB-CD 4.43Å; E476-K478 PolarHBondContact O-N 2.96Å; E476-K478 IonicContact OE1-NZ 3.75Å; E476-K478 PolarHBondContact OE1-NZ 3.19Å; E476-K478 VanDerWaalsContact OE2-CE 3.23Å; E476-K478 WeakPolarHBondContact OE2-CE 3.3Å; E476-K478 IonicContact OE2-NZ 3.82Å; E476-K478 PolarHBondContact OE2-NZ 2.94Å; E476-T492 HydrophobicContact CB-CG2 4.12Å; E476-F494 WeakPolarHBondContact O-CD2 3.37Å
477	C	84.7	Confident	91.4	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.027	20%	0.198	C	C	.	.			trans	-56.7	127.2	164.8	-174.6	0	0	0	0	109.3	W46 F494 Y499 Y500	W46-C477 HydrophobicContact CH2-CB 4.46Å; W46-C477 VanDerWaalsContact CH2-SG 3.52Å; W46-C477 HydrophobicContact CZ2-CB 4.48Å; W46-C477 WeakPolarHBondContact CZ2-O 3.47Å; C477-F494 HydrophobicContact CB-CD1 4.3Å; C477-F494 HydrophobicContact CB-CD2 4.41Å; C477-F494 HydrophobicContact CB-CE1 3.81Å; C477-F494 HydrophobicContact CB-CE2 3.95Å; C477-F494 HydrophobicContact CB-CZ 3.63Å; C477-F494 VanDerWaalsContact SG-CE1 3.57Å; C477-Y499 HydrophobicContact CB-CD1 4.03Å; C477-Y499 HydrophobicContact CB-CE1 4.5Å; C477-Y500 HydrophobicContact CB-CE2 4.27Å
478	K	85.4	Confident	91.3	Very high	20 Å²	20	36 Å²	36	9%	0.087	19%	0.194	C	C	.	.			trans	-120.1	139.6	172.8	-58.5	-63	-179.8	174.8	0	109.3	E476 E480 G481 E483 T492	E476-K478 HydrophobicContact CB-CD 4.43Å; E476-K478 PolarHBondContact O-N 2.96Å; E476-K478 IonicContact OE1-NZ 3.75Å; E476-K478 PolarHBondContact OE1-NZ 3.19Å; E476-K478 VanDerWaalsContact OE2-CE 3.23Å; E476-K478 WeakPolarHBondContact OE2-CE 3.3Å; E476-K478 IonicContact OE2-NZ 3.82Å; E476-K478 PolarHBondContact OE2-NZ 2.94Å; K478-E480 VanDerWaalsContact C-N 3.27Å; K478-E480 PolarHBondContact O-N 2.79Å; K478-G481 PolarHBondContact O-N 2.93Å; K478-E483 HydrophobicContact CB-CB 4.46Å; K478-E483 HydrophobicContact CD-CB 3.82Å; K478-E483 VanDerWaalsContact CE-OE2 3.25Å; K478-E483 WeakPolarHBondContact CE-OE2 3.29Å; K478-E483 HydrophobicContact CG-CB 3.89Å; K478-E483 IonicContact NZ-OE2 2.71Å; K478-E483 PolarHBondContact NZ-OE2 2.8Å; K478-T492 HydrophobicContact CD-CG2 4.35Å; K478-T492 HydrophobicContact CG-CG2 3.79Å
479	Q	74.4	Confident	91.2	Very high	54 Å²	54	38.5 Å²	38.5	25%	0.252	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-42.7	-172.1	-173.2	-164.1	-88.5	0	0	113.3	R42 W46 G481 N505 R506	R42-Q479 VanDerWaalsContact CZ-OE1 3.24Å; R42-Q479 VanDerWaalsContact NH2-CG 3.28Å; W46-Q479 HydrophobicContact CH2-CB 4.14Å; W46-Q479 HydrophobicContact CZ3-CB 4.1Å; W46-Q479 HydrophobicContact CZ3-CG 4.41Å; Q479-G481 VanDerWaalsContact C-N 3.34Å; Q479-N505 WeakPolarHBondContact O-CA 3.25Å; Q479-R506 PolarHBondContact O-N 2.56Å
480	E	81	Confident	91.3	Very high	61 Å²	61	32.8 Å²	32.8	29%	0.285	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	9.3	-178.2	-66.1	-50.7	128.3	0	0	113.2	K478 Y482 R506 Q522	K478-E480 VanDerWaalsContact C-N 3.27Å; K478-E480 PolarHBondContact O-N 2.79Å; E480-Y482 HydrophobicContact CB-CE1 4.48Å; E480-Y482 WeakPolarHBondContact O-CD1 3.44Å; E480-Y482 PolarHBondContact O-N 3.34Å; E480-R506 WeakPolarHBondContact OE2-CD 3.44Å; E480-R506 IonicContact OE2-NE 2.67Å; E480-R506 IonicContact OE2-NH1 3.48Å; E480-Q522 PolarHBondContact O-NE2 3.43Å; E480-Q522 PolarHBondContact OE2-NE2 2.82Å
481	G	85	Confident	91.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	78.1	-8.2	-173.3	0	0	0	0	0	114	K478 Q479 F494 R506	K478-G481 PolarHBondContact O-N 2.93Å; Q479-G481 VanDerWaalsContact C-N 3.34Å; G481-F494 PolarHBondContact O-N 3.25Å; G481-R506 WeakPolarHBondContact CA-O 3.25Å; G481-R506 PolarHBondContact N-O 3.21Å
482	Y	94	Very high	91.4	Very high	70 Å²	70	32 Å²	32	28%	0.275	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	164.8	174.7	71.8	-80.9	0	0	0	112	E480 L484 T492 A508 F520 Q522	E480-Y482 HydrophobicContact CB-CE1 4.48Å; E480-Y482 WeakPolarHBondContact O-CD1 3.44Å; E480-Y482 PolarHBondContact O-N 3.34Å; Y482-L484 HydrophobicContact CD2-CD1 3.74Å; Y482-L484 HydrophobicContact CE2-CD1 3.64Å; Y482-T492 CarbonylContact C-O 3.14Å; Y482-T492 WeakPolarHBondContact CA-O 3.36Å; Y482-T492 VanDerWaalsContact CB-O 3.3Å; Y482-T492 WeakPolarHBondContact CB-O 3.34Å; Y482-A508 HydrophobicContact CD1-CB 4.29Å; Y482-F520 HydrophobicContact CD1-CB 4.37Å; Y482-F520 AromaticContact CD1-CD1 3.92Å; Y482-F520 HydrophobicContact CD1-CD1 3.92Å; Y482-F520 HydrophobicContact CD1-CG 4.36Å; Y482-F520 AromaticContact CD2-CD1 3.38Å; Y482-F520 HydrophobicContact CD2-CD1 3.38Å; Y482-F520 HydrophobicContact CD2-CD2 4.36Å; Y482-F520 AromaticContact CD2-CE1 3.33Å; Y482-F520 HydrophobicContact CD2-CE1 3.33Å; Y482-F520 HydrophobicContact CD2-CE2 4.33Å; Y482-F520 AromaticContact CD2-CG 3.92Å; Y482-F520 HydrophobicContact CD2-CG 3.92Å; Y482-F520 AromaticContact CD2-CZ 3.83Å; Y482-F520 HydrophobicContact CD2-CZ 3.83Å; Y482-F520 HydrophobicContact CE1-CB 4.12Å; Y482-F520 HydrophobicContact CE1-CD1 4.33Å; Y482-F520 HydrophobicContact CE1-CG 4.32Å; Y482-F520 HydrophobicContact CE2-CB 4.45Å; Y482-F520 AromaticContact CE2-CD1 3.84Å; Y482-F520 HydrophobicContact CE2-CD1 3.84Å; Y482-F520 HydrophobicContact CE2-CD2 4.08Å; Y482-F520 HydrophobicContact CE2-CE1 4.01Å; Y482-F520 HydrophobicContact CE2-CE2 4.24Å; Y482-F520 AromaticContact CE2-CG 3.86Å; Y482-F520 HydrophobicContact CE2-CG 3.86Å; Y482-F520 HydrophobicContact CE2-CZ 4.19Å; Y482-F520 AromaticContact CG-CD1 3.42Å; Y482-F520 HydrophobicContact CG-CD1 3.42Å; Y482-F520 VanDerWaalsContact CG-CD1 3.42Å; Y482-F520 AromaticContact CG-CE1 3.68Å; Y482-F520 HydrophobicContact CG-CE1 3.68Å; Y482-F520 HydrophobicContact CG-CG 4.16Å; Y482-Q522 HydrophobicContact CD1-CG 4.43Å; Y482-Q522 HydrophobicContact CE1-CG 4.03Å
483	E	91.9	Very high	91.3	Very high	91 Å²	91	32 Å²	32	43%	0.425	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	151.5	170.4	-176.4	167.3	-110.7	0	0	109.8	K478 I491 T492	K478-E483 HydrophobicContact CB-CB 4.46Å; K478-E483 HydrophobicContact CD-CB 3.82Å; K478-E483 VanDerWaalsContact CE-OE2 3.25Å; K478-E483 WeakPolarHBondContact CE-OE2 3.29Å; K478-E483 HydrophobicContact CG-CB 3.89Å; K478-E483 IonicContact NZ-OE2 2.71Å; K478-E483 PolarHBondContact NZ-OE2 2.8Å; E483-I491 WeakPolarHBondContact O-CA 3.38Å; E483-T492 PolarHBondContact N-O 2.89Å; E483-T492 PolarHBondContact O-N 2.7Å
484	L	93.3	Very high	91.2	Very high	82 Å²	82	32.1 Å²	32.1	43%	0.429	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.6	171.9	-64.9	94.7	0	0	0	109.8	Y482 V490 I491 F520	Y482-L484 HydrophobicContact CD2-CD1 3.74Å; Y482-L484 HydrophobicContact CE2-CD1 3.64Å; L484-V490 WeakPolarHBondContact CA-O 3.36Å; L484-I491 HydrophobicContact CD2-CD1 4.47Å; L484-I491 HydrophobicContact CD2-CG1 4.11Å; L484-I491 HydrophobicContact CG-CG1 4.15Å; L484-F520 HydrophobicContact CD1-CE2 4.1Å; L484-F520 HydrophobicContact CD1-CZ 3.85Å; L484-F520 HydrophobicContact CD2-CE2 4.31Å; L484-F520 HydrophobicContact CD2-CZ 4.16Å; L484-F520 HydrophobicContact CG-CZ 4.1Å
485	C	91.8	Very high	91.2	Very high	29 Å²	29	32.1 Å²	32.1	20%	0.196	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	179.4	178.8	62.6	0	0	0	0	112	S487 G488 R489 V490	C485-S487 VanDerWaalsContact C-N 3.31Å; C485-S487 PolarHBondContact O-N 2.76Å; C485-G488 PolarHBondContact O-N 2.98Å; C485-R489 PolarHBondContact O-N 3.16Å; C485-V490 PolarHBondContact N-O 2.88Å; C485-V490 PolarHBondContact O-N 3.35Å
486	H	94.3	Very high	91.1	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.065	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	50.6	45.1	-177	-54.5	173.1	0	0	0	114	K437 F454 P456 T459 R489 V490	K437-H486 PolarHBondContact O-NE2 2.96Å; F454-H486 AromaticContact CD2-CE1 3.68Å; F454-H486 AromaticContact CE2-CE1 3.67Å; F454-H486 PolarHBondContact O-CE1 2.79Å; P456-H486 HydrophobicContact CB-CB 3.84Å; T459-H486 PolarHBondContact OG1-ND1 3.32Å; H486-R489 PolarHBondContact O-N 2.93Å; H486-R489 PolarHBondContact O-NE 2.83Å; H486-V490 HydrophobicContact CB-CG2 4Å; H486-V490 WeakPolarHBondContact ND1-CG2 3.11Å
487	S	89.5	Confident	91	Very high	118 Å²	118	31 Å²	31	83%	0.825	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	62.1	37.8	-174.6	-51	0	0	0	0	114.4	C485 R489	C485-S487 VanDerWaalsContact C-N 3.31Å; C485-S487 PolarHBondContact O-N 2.76Å; S487-R489 VanDerWaalsContact C-N 3.31Å; S487-R489 PolarHBondContact O-N 3.04Å
488	G	90.7	Very high	90.7	Very high	33 Å²	33	31.2 Å²	31.2	34%	0.34	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	83.5	1.6	178.6	0	0	0	0	0	114.6	L470 C485	L470-G488 WeakPolarHBondContact CD1-O 3.46Å; C485-G488 PolarHBondContact O-N 2.98Å
489	R	94.1	Very high	90.1	Very high	69 Å²	69	31 Å²	31	26%	0.26	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-9.9	-178.5	-64.3	-178.3	-67.1	-169.9	3.7	113.9	T459 Q460 L463 L471 C485 H486 S487	T459-R489 HydrophobicContact CG2-CB 4.22Å; Q460-R489 VanDerWaalsContact CD-NH1 3.33Å; Q460-R489 VanDerWaalsContact OE1-CZ 3.29Å; L463-R489 HydrophobicContact CD1-CB 3.88Å; L463-R489 HydrophobicContact CD1-CG 4.44Å; L471-R489 PolarHBondContact N-O 3.07Å; C485-R489 PolarHBondContact O-N 3.16Å; H486-R489 PolarHBondContact O-N 2.93Å; H486-R489 PolarHBondContact O-NE 2.83Å; S487-R489 VanDerWaalsContact C-N 3.31Å; S487-R489 PolarHBondContact O-N 3.04Å
490	V	97.2	Very high	89.4	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.8	168.1	-176.3	0	0	0	0	108.7	F454 T459 L471 R473 L484 C485 H486	F454-V490 HydrophobicContact CE2-CG2 4.27Å; T459-V490 HydrophobicContact CG2-CG2 3.62Å; T459-V490 WeakPolarHBondContact OG1-CG2 3.34Å; L471-V490 HydrophobicContact CB-CG2 4.21Å; L471-V490 HydrophobicContact CD2-CG1 4.22Å; L471-V490 HydrophobicContact CD2-CG2 4.05Å; L471-V490 HydrophobicContact CG-CG1 4.49Å; L471-V490 CarbonylContact O-C 3.47Å; L471-V490 WeakPolarHBondContact O-CA 3.43Å; R473-V490 HydrophobicContact CG-CG1 3.85Å; L484-V490 WeakPolarHBondContact CA-O 3.36Å; C485-V490 PolarHBondContact N-O 2.88Å; C485-V490 PolarHBondContact O-N 3.35Å; H486-V490 HydrophobicContact CB-CG2 4Å; H486-V490 WeakPolarHBondContact ND1-CG2 3.11Å
491	I	97.3	Very high	88.4	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.9	174.3	-61	171.6	0	0	0	108.5	L470 L471 I472 R473 E483 L484 I510 P518 F520	L470-I491 HydrophobicContact CD1-CD1 3.83Å; L470-I491 HydrophobicContact CD1-CG1 4.07Å; L470-I491 HydrophobicContact CD2-CD1 3.92Å; L470-I491 HydrophobicContact CG-CD1 4.27Å; L471-I491 PolarHBondContact O-N 2.92Å; I472-I491 CarbonylContact C-O 3.3Å; I472-I491 WeakPolarHBondContact CA-O 3.25Å; I472-I491 HydrophobicContact CG1-CB 4.45Å; R473-I491 PolarHBondContact N-O 2.84Å; E483-I491 WeakPolarHBondContact O-CA 3.38Å; L484-I491 HydrophobicContact CD2-CD1 4.47Å; L484-I491 HydrophobicContact CD2-CG1 4.11Å; L484-I491 HydrophobicContact CG-CG1 4.15Å; I491-I510 HydrophobicContact CG2-CD1 3.71Å; I491-P518 HydrophobicContact CD1-CB 3.85Å; I491-P518 HydrophobicContact CD1-CG 3.59Å; I491-F520 HydrophobicContact CD1-CZ 3.89Å; I491-F520 HydrophobicContact CG1-CZ 4.26Å; I491-F520 HydrophobicContact CG2-CE1 3.55Å; I491-F520 HydrophobicContact CG2-CZ 3.71Å
492	T	97.3	Very high	87.4	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.1	164.2	-54.6	0	0	0	0	109.4	R473 S474 E476 K478 Y482 E483	R473-T492 VanDerWaalsContact CD-OG1 3.3Å; R473-T492 WeakPolarHBondContact CD-OG1 3.44Å; R473-T492 CarbonylContact O-C 3.52Å; R473-T492 WeakPolarHBondContact O-CA 3.29Å; S474-T492 WeakPolarHBondContact O-CG2 3.47Å; E476-T492 HydrophobicContact CB-CG2 4.12Å; K478-T492 HydrophobicContact CD-CG2 4.35Å; K478-T492 HydrophobicContact CG-CG2 3.79Å; Y482-T492 CarbonylContact C-O 3.14Å; Y482-T492 WeakPolarHBondContact CA-O 3.36Å; Y482-T492 VanDerWaalsContact CB-O 3.3Å; Y482-T492 WeakPolarHBondContact CB-O 3.34Å; E483-T492 PolarHBondContact N-O 2.89Å; E483-T492 PolarHBondContact O-N 2.7Å
493	I	96.7	Very high	85.7	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	135.2	178.1	-169.6	63.6	0	0	0	110.7	I472 R473 S474 A508 I510	I472-I493 HydrophobicContact CG2-CG2 3.86Å; R473-I493 PolarHBondContact O-N 3.15Å; S474-I493 WeakPolarHBondContact CA-O 3.11Å; S474-I493 WeakPolarHBondContact CB-O 3.23Å; I493-A508 HydrophobicContact CD1-CB 3.72Å; I493-I510 HydrophobicContact CB-CD1 4Å; I493-I510 HydrophobicContact CB-CG1 4.41Å; I493-I510 HydrophobicContact CD1-CD1 4.25Å; I493-I510 HydrophobicContact CD1-CG1 3.77Å; I493-I510 HydrophobicContact CG1-CD1 4.09Å; I493-I510 HydrophobicContact CG1-CG1 3.95Å; I493-I510 HydrophobicContact CG2-CD1 4.35Å
494	F	96.1	Very high	84.3	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.009	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-143.1	125.6	-171.3	-170	-97.8	0	0	0	110.6	D175 E476 C477 G481 A496 Y499 G507 A508	D175-F494 HydrophobicContact CB-CD2 3.85Å; D175-F494 HydrophobicContact CB-CE2 3.69Å; D175-F494 WeakPolarHBondContact OD2-CD2 3.36Å; D175-F494 WeakPolarHBondContact OD2-CE2 3.49Å; E476-F494 WeakPolarHBondContact O-CD2 3.37Å; C477-F494 HydrophobicContact CB-CD1 4.3Å; C477-F494 HydrophobicContact CB-CD2 4.41Å; C477-F494 HydrophobicContact CB-CE1 3.81Å; C477-F494 HydrophobicContact CB-CE2 3.95Å; C477-F494 HydrophobicContact CB-CZ 3.63Å; C477-F494 VanDerWaalsContact SG-CE1 3.57Å; G481-F494 PolarHBondContact O-N 3.25Å; F494-A496 HydrophobicContact CE1-CB 3.87Å; F494-A496 WeakPolarHBondContact CE1-O 3.4Å; F494-A496 HydrophobicContact CZ-CB 4.09Å; F494-Y499 HydrophobicContact CE1-CD1 4.41Å; F494-Y499 HydrophobicContact CE1-CD2 4.5Å; F494-Y499 HydrophobicContact CE1-CG 4Å; F494-Y499 AromaticContact CZ-CD1 3.94Å; F494-Y499 HydrophobicContact CZ-CD1 3.94Å; F494-Y499 HydrophobicContact CZ-CD2 4.01Å; F494-Y499 HydrophobicContact CZ-CE1 4.39Å; F494-Y499 HydrophobicContact CZ-CE2 4.48Å; F494-Y499 AromaticContact CZ-CG 3.74Å; F494-Y499 HydrophobicContact CZ-CG 3.74Å; F494-G507 CarbonylContact O-C 3.52Å; F494-G507 WeakPolarHBondContact O-CA 3.19Å; F494-A508 PolarHBondContact O-N 3.12Å
495	S	96.7	Very high	83.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.175	C	C	.	.			trans	-111.4	-12.2	-165.2	-62.9	0	0	0	0	114.8	G174 D175 S497 A508 Y523	G174-S495 PolarHBondContact N-OG 2.82Å; D175-S495 CarbonylContact O-C 3.42Å; D175-S495 VanDerWaalsContact O-C 3.28Å; D175-S495 WeakPolarHBondContact O-CA 3.46Å; D175-S495 WeakPolarHBondContact O-CB 3.46Å; D175-S495 PolarHBondContact O-N 2.84Å; S495-S497 PolarHBondContact O-N 3.15Å; S495-A508 PolarHBondContact OG-O 3.22Å; S495-Y523 VanDerWaalsContact CA-OH 3.29Å; S495-Y523 WeakPolarHBondContact CA-OH 3.37Å; S495-Y523 VanDerWaalsContact CB-OH 3.28Å; S495-Y523 WeakPolarHBondContact CB-OH 3.13Å; S495-Y523 PolarHBondContact O-OH 3.4Å
496	A	92.3	Very high	83.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.			trans	-75.3	110.2	170.6	0	0	0	0	0	110.5	D175 R179 F494 Y499 N505	D175-A496 PolarHBondContact O-N 3.25Å; R179-A496 HydrophobicContact CG-CB 3.95Å; F494-A496 HydrophobicContact CE1-CB 3.87Å; F494-A496 WeakPolarHBondContact CE1-O 3.4Å; F494-A496 HydrophobicContact CZ-CB 4.09Å; A496-Y499 HydrophobicContact CB-CD2 4.13Å; A496-N505 PolarHBondContact O-ND2 3.41Å
497	S	87.3	Confident	82.9	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.007	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	147.9	176.6	81.9	0	0	0	0	111.2	R179 D182 S495 Y499 V525	R179-S497 PolarHBondContact NH1-O 3.37Å; R179-S497 VanDerWaalsContact NH1-O 3.1Å; D182-S497 VanDerWaalsContact OD1-CB 3.23Å; D182-S497 WeakPolarHBondContact OD1-CB 3.23Å; D182-S497 PolarHBondContact OD1-OG 2.71Å; D182-S497 PolarHBondContact OD2-N 3.43Å; S495-S497 PolarHBondContact O-N 3.15Å; S497-Y499 VanDerWaalsContact C-N 3.26Å; S497-Y499 PolarHBondContact O-N 3.37Å; S497-V525 PolarHBondContact OG-N 3.42Å
498	N	77.6	Confident	83.1	Confident	10 Å²	10	27 Å²	27	5%	0.053	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	43.9	-176.9	-48.5	-87.2	0	0	0	112.2	R179 E501 G503 N505 Q524 V525	R179-N498 PolarHBondContact NH1-O 2.99Å; N498-E501 WeakPolarHBondContact CA-O 3.08Å; N498-E501 WeakPolarHBondContact CB-O 3.39Å; N498-G503 PolarHBondContact OD1-N 3.15Å; N498-N505 PolarHBondContact N-O 3.33Å; N498-N505 PolarHBondContact N-OD1 2.81Å; N498-Q524 WeakPolarHBondContact ND2-CG 3.06Å; N498-Q524 PolarHBondContact OD1-NE2 2.88Å; N498-V525 PolarHBondContact ND2-O 2.74Å
499	Y	73.6	Confident	83.3	Confident	15 Å²	15	25.6 Å²	25.6	6%	0.059	13%	0.125	C	C	.	.	S	Bend	trans	-60.7	-52.2	-169.7	174.5	-113.7	0	0	0	111.8	E53 H177 R179 R208 C477 F494 A496 S497 N505	E53-Y499 VanDerWaalsContact OE1-CE1 3.22Å; E53-Y499 WeakPolarHBondContact OE1-CE1 3.21Å; E53-Y499 VanDerWaalsContact OE1-CZ 3.3Å; E53-Y499 PolarHBondContact OE1-OH 2.88Å; H177-Y499 HydrophobicContact CB-CD2 4.42Å; H177-Y499 HydrophobicContact CB-CE2 3.97Å; H177-Y499 AromaticContact CD2-CD2 3.95Å; H177-Y499 AromaticContact CD2-CE2 3.26Å; H177-Y499 WeakPolarHBondContact CD2-CE2 3.1Å; H177-Y499 AromaticContact CD2-CZ 3.81Å; H177-Y499 AromaticContact CG-CE2 3.8Å; R179-Y499 PolarHBondContact NH2-O 3.29Å; R208-Y499 HydrophobicContact CB-CE2 4.04Å; R208-Y499 WeakPolarHBondContact CD-OH 3.43Å; R208-Y499 HydrophobicContact CG-CE2 4.04Å; R208-Y499 WeakPolarHBondContact CG-OH 3.13Å; R208-Y499 PolarHBondContact NE-OH 3.07Å; C477-Y499 HydrophobicContact CB-CD1 4.03Å; C477-Y499 HydrophobicContact CB-CE1 4.5Å; F494-Y499 HydrophobicContact CE1-CD1 4.41Å; F494-Y499 HydrophobicContact CE1-CD2 4.5Å; F494-Y499 HydrophobicContact CE1-CG 4Å; F494-Y499 AromaticContact CZ-CD1 3.94Å; F494-Y499 HydrophobicContact CZ-CD1 3.94Å; F494-Y499 HydrophobicContact CZ-CD2 4.01Å; F494-Y499 HydrophobicContact CZ-CE1 4.39Å; F494-Y499 HydrophobicContact CZ-CE2 4.48Å; F494-Y499 AromaticContact CZ-CG 3.74Å; F494-Y499 HydrophobicContact CZ-CG 3.74Å; A496-Y499 HydrophobicContact CB-CD2 4.13Å; S497-Y499 VanDerWaalsContact C-N 3.26Å; S497-Y499 PolarHBondContact O-N 3.37Å; Y499-N505 WeakPolarHBondContact CB-OD1 3.41Å; Y499-N505 PolarHBondContact N-OD1 2.88Å
500	Y	60	Low	83.3	Confident	44 Å²	44	22.3 Å²	22.3	17%	0.173	11%	0.113	C	C	.	.	S	Bend	trans	-77	-53.9	173.3	-52.7	-63.3	0	0	0	111.9	W46 F49 E53 C477	W46-Y500 HydrophobicContact CH2-CE2 4.24Å; W46-Y500 HydrophobicContact CZ2-CE2 4.41Å; W46-Y500 HydrophobicContact CZ3-CE2 4.32Å; F49-Y500 HydrophobicContact CB-CD1 3.72Å; F49-Y500 HydrophobicContact CB-CD2 3.87Å; F49-Y500 HydrophobicContact CB-CE1 3.79Å; F49-Y500 HydrophobicContact CB-CE2 3.94Å; F49-Y500 HydrophobicContact CB-CG 3.74Å; F49-Y500 HydrophobicContact CD1-CD1 4.16Å; F49-Y500 HydrophobicContact CD1-CG 4.1Å; F49-Y500 HydrophobicContact CD2-CD2 4.19Å; F49-Y500 HydrophobicContact CD2-CG 4.09Å; F49-Y500 HydrophobicContact CG-CD1 4.04Å; F49-Y500 HydrophobicContact CG-CD2 4.12Å; F49-Y500 AromaticContact CG-CG 3.75Å; F49-Y500 HydrophobicContact CG-CG 3.75Å; E53-Y500 WeakPolarHBondContact OE2-CE1 3.39Å; E53-Y500 PolarHBondContact OE2-OH 3.08Å; E53-Y500 VanDerWaalsContact OE2-OH 3.13Å; C477-Y500 HydrophobicContact CB-CE2 4.27Å
501	E	60.3	Low	83	Confident	129 Å²	129	23.8 Å²	23.8	60%	0.603	12%	0.119	S	C	*	.	S	Bend	trans	-153.3	163.1	-177.5	-169	160.9	-149.2	0	0	112.2	N498 G503 S504	N498-E501 WeakPolarHBondContact CA-O 3.08Å; N498-E501 WeakPolarHBondContact CB-O 3.39Å; E501-G503 PolarHBondContact O-N 2.94Å; E501-S504 PolarHBondContact N-OG 3.31Å; E501-S504 VanDerWaalsContact N-OG 3.14Å; E501-S504 VanDerWaalsContact O-CB 3.28Å; E501-S504 WeakPolarHBondContact O-CB 3.32Å; E501-S504 PolarHBondContact O-N 3.13Å; E501-S504 PolarHBondContact O-OG 3.05Å
502	E	62.5	Low	82.6	Confident	94 Å²	94	23.7 Å²	23.7	44%	0.439	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	117.8	175.7	-166.5	163.3	-159.8	0	0	110.6	R527	E502-R527 VanDerWaalsContact OE1-CG 3.31Å; E502-R527 WeakPolarHBondContact OE1-CG 3.33Å; E502-R527 PolarHBondContact OE1-N 2.67Å; E502-R527 WeakPolarHBondContact OE2-CD 3.43Å
503	G	58.6	Low	82	Confident	47 Å²	47	24 Å²	24	49%	0.485	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	-7.2	-172.8	0	0	0	0	0	116.1	N498 E501	N498-G503 PolarHBondContact OD1-N 3.15Å; E501-G503 PolarHBondContact O-N 2.94Å
504	S	63.3	Low	81.3	Confident	19 Å²	19	29.1 Å²	29.1	13%	0.133	14%	0.144	C	C	.	.	S	Bend	trans	-66.6	-64.4	-176.1	54.8	0	0	0	0	113.9	E501	E501-S504 PolarHBondContact N-OG 3.31Å; E501-S504 VanDerWaalsContact N-OG 3.14Å; E501-S504 VanDerWaalsContact O-CB 3.28Å; E501-S504 WeakPolarHBondContact O-CB 3.32Å; E501-S504 PolarHBondContact O-N 3.13Å; E501-S504 PolarHBondContact O-OG 3.05Å
505	N	76.2	Confident	80.7	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.011	16%	0.164	C	C	.	.			trans	-131.2	157.4	178.6	74.8	-64.3	0	0	0	112.7	W46 Q479 A496 N498 Y499	W46-N505 HydrophobicContact CH2-CB 3.99Å; W46-N505 HydrophobicContact CZ3-CB 3.96Å; Q479-N505 WeakPolarHBondContact O-CA 3.25Å; A496-N505 PolarHBondContact O-ND2 3.41Å; N498-N505 PolarHBondContact N-O 3.33Å; N498-N505 PolarHBondContact N-OD1 2.81Å; Y499-N505 WeakPolarHBondContact CB-OD1 3.41Å; Y499-N505 PolarHBondContact N-OD1 2.88Å
506	R	83	Confident	80.2	Confident	100 Å²	100	34.6 Å²	34.6	38%	0.377	17%	0.171	S	C	.	.			trans	-83.1	153.1	162.4	-68.7	177.5	170.1	-171.5	-1.3	110.4	Q479 E480 G481 Q522 Y523 Q524	Q479-R506 PolarHBondContact O-N 2.56Å; E480-R506 WeakPolarHBondContact OE2-CD 3.44Å; E480-R506 IonicContact OE2-NE 2.67Å; E480-R506 IonicContact OE2-NH1 3.48Å; G481-R506 WeakPolarHBondContact CA-O 3.25Å; G481-R506 PolarHBondContact N-O 3.21Å; R506-Q522 VanDerWaalsContact CD-NE2 3.33Å; R506-Y523 WeakPolarHBondContact CA-O 3.36Å; R506-Y523 WeakPolarHBondContact CB-O 3.38Å; R506-Q524 HydrophobicContact CG-CB 4.45Å
507	G	91.3	Very high	80	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	155.8	160.7	0	0	0	0	0	109.8	F494 Q522 Y523	F494-G507 CarbonylContact O-C 3.52Å; F494-G507 WeakPolarHBondContact O-CA 3.19Å; G507-Q522 CarbonylContact O-C 3.58Å; G507-Q522 WeakPolarHBondContact O-CA 3.44Å; G507-Y523 PolarHBondContact N-O 2.96Å; G507-Y523 WeakPolarHBondContact O-CD1 3.37Å; G507-Y523 PolarHBondContact O-N 3.14Å; G507-Y523 VanDerWaalsContact O-O 3.07Å
508	A	93.3	Very high	80.2	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	163.2	170.4	0	0	0	0	0	112	Y482 I493 F494 S495 Y521	Y482-A508 HydrophobicContact CD1-CB 4.29Å; I493-A508 HydrophobicContact CD1-CB 3.72Å; F494-A508 PolarHBondContact O-N 3.12Å; S495-A508 PolarHBondContact OG-O 3.22Å; A508-Y521 VanDerWaalsContact CA-O 3.26Å; A508-Y521 WeakPolarHBondContact CA-O 3.23Å
509	Y	94.8	Very high	80.8	Confident	3 Å²	3	45.2 Å²	45.2	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	158.5	162.7	55.2	-98	0	0	0	109.6	I171 C172 I186 K189 N190 K511 Y521 Y523	I171-Y509 HydrophobicContact CG2-CD2 3.94Å; I171-Y509 HydrophobicContact CG2-CG 4.14Å; C172-Y509 WeakPolarHBondContact O-CA 3.32Å; C172-Y509 WeakPolarHBondContact O-CB 3.23Å; I186-Y509 HydrophobicContact CG1-CD1 4.11Å; I186-Y509 HydrophobicContact CG2-CD1 4.07Å; I186-Y509 HydrophobicContact CG2-CE1 4.4Å; K189-Y509 HydrophobicContact CD-CE1 4.39Å; N190-Y509 WeakPolarHBondContact ND2-CE2 3.49Å; N190-Y509 WeakPolarHBondContact OD1-CE2 3.26Å; N190-Y509 VanDerWaalsContact OD1-CZ 3.3Å; N190-Y509 PolarHBondContact OD1-OH 2.7Å; Y509-K511 HydrophobicContact CD2-CG 4.28Å; Y509-K511 HydrophobicContact CE2-CD 4.19Å; Y509-K511 HydrophobicContact CE2-CG 4.2Å; Y509-Y521 HydrophobicContact CD2-CD2 4.39Å; Y509-Y521 HydrophobicContact CD2-CG 4.3Å; Y509-Y521 HydrophobicContact CE2-CD1 4.26Å; Y509-Y521 AromaticContact CE2-CD2 3.92Å; Y509-Y521 HydrophobicContact CE2-CD2 3.92Å; Y509-Y521 AromaticContact CE2-CG 3.55Å; Y509-Y521 HydrophobicContact CE2-CG 3.55Å; Y509-Y521 AromaticContact CZ-CG 3.98Å; Y509-Y521 PolarHBondContact N-O 3.4Å; Y509-Y521 VanDerWaalsContact N-O 3.13Å; Y509-Y521 PolarHBondContact O-N 3.43Å; Y509-Y523 HydrophobicContact CD1-CD1 4.11Å; Y509-Y523 AromaticContact CD1-CE1 3.68Å; Y509-Y523 HydrophobicContact CD1-CE1 3.68Å; Y509-Y523 HydrophobicContact CE1-CD1 4.06Å; Y509-Y523 HydrophobicContact CE1-CE1 4.08Å
510	I	93.6	Very high	81.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.1	173.8	-57.9	166.4	0	0	0	108.4	I171 C172 I472 I491 I493 L512 P518 R519 F520	I171-I510 CarbonylContact C-O 3.58Å; I171-I510 WeakPolarHBondContact CA-O 3.47Å; C172-I510 HydrophobicContact CB-CB 4.28Å; C172-I510 PolarHBondContact N-O 3.36Å; C172-I510 PolarHBondContact O-N 2.84Å; I472-I510 HydrophobicContact CD1-CD1 4.09Å; I472-I510 HydrophobicContact CG2-CD1 3.84Å; I491-I510 HydrophobicContact CG2-CD1 3.71Å; I493-I510 HydrophobicContact CB-CD1 4Å; I493-I510 HydrophobicContact CB-CG1 4.41Å; I493-I510 HydrophobicContact CD1-CD1 4.25Å; I493-I510 HydrophobicContact CD1-CG1 3.77Å; I493-I510 HydrophobicContact CG1-CD1 4.09Å; I493-I510 HydrophobicContact CG1-CG1 3.95Å; I493-I510 HydrophobicContact CG2-CD1 4.35Å; I510-L512 HydrophobicContact CG2-CD2 4.32Å; I510-L512 HydrophobicContact CG2-CG 4.11Å; I510-P518 HydrophobicContact CG2-CB 3.55Å; I510-R519 CarbonylContact C-O 3.56Å; I510-R519 WeakPolarHBondContact CA-O 3.3Å; I510-F520 HydrophobicContact CD1-CE1 4.05Å; I510-F520 HydrophobicContact CG1-CD1 3.93Å; I510-F520 HydrophobicContact CG1-CE1 3.89Å
511	K	91.5	Very high	82.9	Confident	31 Å²	31	49.3 Å²	49.3	14%	0.135	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121	171.2	-93.4	-173.2	166	177	0	108.9	I169 I171 N190 Y509 R519 Y521	I169-K511 HydrophobicContact CG2-CB 3.36Å; I169-K511 HydrophobicContact CG2-CD 3.93Å; I169-K511 HydrophobicContact CG2-CG 3.48Å; I169-K511 VanDerWaalsContact CG2-CG 3.48Å; I171-K511 HydrophobicContact CG1-CG 3.98Å; N190-K511 WeakPolarHBondContact OD1-CE 3.34Å; N190-K511 PolarHBondContact OD1-NZ 3.04Å; Y509-K511 HydrophobicContact CD2-CG 4.28Å; Y509-K511 HydrophobicContact CE2-CD 4.19Å; Y509-K511 HydrophobicContact CE2-CG 4.2Å; K511-R519 HydrophobicContact CB-CB 4.26Å; K511-R519 PolarHBondContact N-O 3.28Å; K511-R519 WeakPolarHBondContact O-CB 3.42Å; K511-R519 PolarHBondContact O-N 3.1Å; K511-Y521 HydrophobicContact CB-CD2 4Å; K511-Y521 HydrophobicContact CB-CE2 3.69Å; K511-Y521 HydrophobicContact CD-CD2 3.99Å; K511-Y521 HydrophobicContact CD-CE2 3.64Å; K511-Y521 HydrophobicContact CG-CD2 4.12Å; K511-Y521 HydrophobicContact CG-CE2 4.02Å
512	L	88.8	Confident	84.2	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	114.9	-179.9	-70.3	167.9	0	0	0	110.1	I169 T170 I280 I284 I472 I510 P518	I169-L512 CarbonylContact C-O 3.57Å; I169-L512 VanDerWaalsContact CA-O 3.28Å; I169-L512 WeakPolarHBondContact CA-O 3.11Å; T170-L512 PolarHBondContact N-O 3.47Å; T170-L512 PolarHBondContact O-N 3.32Å; I280-L512 HydrophobicContact CD1-CD1 3.69Å; I284-L512 HydrophobicContact CD1-CD1 3.7Å; I284-L512 HydrophobicContact CD1-CD2 3.67Å; I284-L512 HydrophobicContact CD1-CG 4.32Å; I472-L512 HydrophobicContact CD1-CD1 4.17Å; I510-L512 HydrophobicContact CG2-CD2 4.32Å; I510-L512 HydrophobicContact CG2-CG 4.11Å; L512-P518 HydrophobicContact CD2-CB 4.06Å
513	G	84.5	Confident	85.2	Confident	7 Å²	7	42 Å²	42	7%	0.072	21%	0.206	C	C	.	.			trans	-90	-173.2	168	0	0	0	0	0	112.2	E515 L516	G513-E515 VanDerWaalsContact C-OE2 3.25Å; G513-E515 VanDerWaalsContact CA-OE2 3.32Å; G513-E515 WeakPolarHBondContact CA-OE2 3.47Å; G513-E515 PolarHBondContact O-N 2.89Å; G513-E515 VanDerWaalsContact O-N 3.15Å; G513-L516 WeakPolarHBondContact O-CA 3.42Å; G513-L516 PolarHBondContact O-N 2.74Å
514	K	81.4	Confident	86.3	Confident	107 Å²	107	43.4 Å²	43.4	47%	0.465	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.5	179.6	-55.3	-158	177.2	-153.7	0	114.1	T163 S164 T166 L516	T163-K514 WeakPolarHBondContact O-CD 3.4Å; T163-K514 WeakPolarHBondContact O-CE 3.19Å; T163-K514 WeakPolarHBondContact O-CG 3.24Å; T163-K514 PolarHBondContact O-NZ 3.15Å; S164-K514 PolarHBondContact O-NZ 3.38Å; T166-K514 WeakPolarHBondContact O-CE 3.17Å; T166-K514 PolarHBondContact O-NZ 3.13Å; K514-L516 PolarHBondContact O-N 2.99Å
515	E	84.5	Confident	87.1	Confident	90 Å²	90	42.8 Å²	42.8	42%	0.421	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-8.2	173.1	75.1	-78.7	-170.4	0	0	113.5	G513 V517 R519	G513-E515 VanDerWaalsContact C-OE2 3.25Å; G513-E515 VanDerWaalsContact CA-OE2 3.32Å; G513-E515 WeakPolarHBondContact CA-OE2 3.47Å; G513-E515 PolarHBondContact O-N 2.89Å; G513-E515 VanDerWaalsContact O-N 3.15Å; E515-V517 HydrophobicContact CB-CG2 4.31Å; E515-V517 HydrophobicContact CG-CB 3.74Å; E515-V517 HydrophobicContact CG-CG2 3.67Å; E515-V517 PolarHBondContact O-N 3.29Å; E515-R519 IonicContact OE1-CZ 3.5Å; E515-R519 VanDerWaalsContact OE1-CZ 3.25Å; E515-R519 IonicContact OE1-NE 2.79Å; E515-R519 PolarHBondContact OE1-NE 3.13Å; E515-R519 IonicContact OE1-NH2 3.35Å; E515-R519 PolarHBondContact OE1-NH2 3.14Å; E515-R519 IonicContact OE2-NH2 3.63Å
516	L	85.9	Confident	86.6	Confident	28 Å²	28	44.6 Å²	44.6	15%	0.147	21%	0.208	C	C	.	.			trans	57	13.8	-178.2	-59.3	177.9	0	0	0	115.2	T163 I280 D281 K283 I284 G513 K514 P518	T163-L516 HydrophobicContact CG2-CD2 4.17Å; I280-L516 HydrophobicContact CG2-CD2 4.03Å; D281-L516 HydrophobicContact CB-CD1 3.95Å; K283-L516 HydrophobicContact CB-CD1 3.94Å; K283-L516 HydrophobicContact CG-CD1 4.03Å; I284-L516 HydrophobicContact CD1-CB 4.15Å; I284-L516 HydrophobicContact CD1-CD2 4.17Å; G513-L516 WeakPolarHBondContact O-CA 3.42Å; G513-L516 PolarHBondContact O-N 2.74Å; K514-L516 PolarHBondContact O-N 2.99Å; L516-P518 WeakPolarHBondContact O-CD 3.2Å
517	V	88.7	Confident	85.2	Confident	83 Å²	83	48.2 Å²	48.2	50%	0.503	22%	0.222	S	C	.	.			trans	-78	121.4	175.1	179.2	0	0	0	0	109.7	E515 R519	E515-V517 HydrophobicContact CB-CG2 4.31Å; E515-V517 HydrophobicContact CG-CB 3.74Å; E515-V517 HydrophobicContact CG-CG2 3.67Å; E515-V517 PolarHBondContact O-N 3.29Å; V517-R519 PolarHBondContact O-N 2.72Å
518	P	90.6	Very high	82.9	Confident	32 Å²	32	53 Å²	53	21%	0.208	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	111.8	-179.2	27.9	-33.4	0	0	0	111.6	L470 I491 I510 L512 L516 F520	L470-P518 HydrophobicContact CD2-CG 4.18Å; I491-P518 HydrophobicContact CD1-CB 3.85Å; I491-P518 HydrophobicContact CD1-CG 3.59Å; I510-P518 HydrophobicContact CG2-CB 3.55Å; L512-P518 HydrophobicContact CD2-CB 4.06Å; L516-P518 WeakPolarHBondContact O-CD 3.2Å; P518-F520 HydrophobicContact CB-CE2 4.43Å
519	R	91.1	Very high	80.6	Confident	119 Å²	119	54.9 Å²	54.9	45%	0.449	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.2	175.1	-51.9	-175.8	-169.8	-161.7	6	109.7	I510 K511 E515 V517 Y521	I510-R519 CarbonylContact C-O 3.56Å; I510-R519 WeakPolarHBondContact CA-O 3.3Å; K511-R519 HydrophobicContact CB-CB 4.26Å; K511-R519 PolarHBondContact N-O 3.28Å; K511-R519 WeakPolarHBondContact O-CB 3.42Å; K511-R519 PolarHBondContact O-N 3.1Å; E515-R519 IonicContact OE1-CZ 3.5Å; E515-R519 VanDerWaalsContact OE1-CZ 3.25Å; E515-R519 IonicContact OE1-NE 2.79Å; E515-R519 PolarHBondContact OE1-NE 3.13Å; E515-R519 IonicContact OE1-NH2 3.35Å; E515-R519 PolarHBondContact OE1-NH2 3.14Å; E515-R519 IonicContact OE2-NH2 3.63Å; V517-R519 PolarHBondContact O-N 2.72Å; R519-Y521 HydrophobicContact CB-CE2 3.86Å; R519-Y521 WeakPolarHBondContact O-CD2 3.42Å
520	F	89.3	Confident	78.3	Confident	55 Å²	55	61 Å²	61	24%	0.241	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	134.5	-175.2	-64.1	-88.8	0	0	0	113	Y482 L484 I491 I510 P518	Y482-F520 HydrophobicContact CD1-CB 4.37Å; Y482-F520 AromaticContact CD1-CD1 3.92Å; Y482-F520 HydrophobicContact CD1-CD1 3.92Å; Y482-F520 HydrophobicContact CD1-CG 4.36Å; Y482-F520 AromaticContact CD2-CD1 3.38Å; Y482-F520 HydrophobicContact CD2-CD1 3.38Å; Y482-F520 HydrophobicContact CD2-CD2 4.36Å; Y482-F520 AromaticContact CD2-CE1 3.33Å; Y482-F520 HydrophobicContact CD2-CE1 3.33Å; Y482-F520 HydrophobicContact CD2-CE2 4.33Å; Y482-F520 AromaticContact CD2-CG 3.92Å; Y482-F520 HydrophobicContact CD2-CG 3.92Å; Y482-F520 AromaticContact CD2-CZ 3.83Å; Y482-F520 HydrophobicContact CD2-CZ 3.83Å; Y482-F520 HydrophobicContact CE1-CB 4.12Å; Y482-F520 HydrophobicContact CE1-CD1 4.33Å; Y482-F520 HydrophobicContact CE1-CG 4.32Å; Y482-F520 HydrophobicContact CE2-CB 4.45Å; Y482-F520 AromaticContact CE2-CD1 3.84Å; Y482-F520 HydrophobicContact CE2-CD1 3.84Å; Y482-F520 HydrophobicContact CE2-CD2 4.08Å; Y482-F520 HydrophobicContact CE2-CE1 4.01Å; Y482-F520 HydrophobicContact CE2-CE2 4.24Å; Y482-F520 AromaticContact CE2-CG 3.86Å; Y482-F520 HydrophobicContact CE2-CG 3.86Å; Y482-F520 HydrophobicContact CE2-CZ 4.19Å; Y482-F520 AromaticContact CG-CD1 3.42Å; Y482-F520 HydrophobicContact CG-CD1 3.42Å; Y482-F520 VanDerWaalsContact CG-CD1 3.42Å; Y482-F520 AromaticContact CG-CE1 3.68Å; Y482-F520 HydrophobicContact CG-CE1 3.68Å; Y482-F520 HydrophobicContact CG-CG 4.16Å; L484-F520 HydrophobicContact CD1-CE2 4.1Å; L484-F520 HydrophobicContact CD1-CZ 3.85Å; L484-F520 HydrophobicContact CD2-CE2 4.31Å; L484-F520 HydrophobicContact CD2-CZ 4.16Å; L484-F520 HydrophobicContact CG-CZ 4.1Å; I491-F520 HydrophobicContact CD1-CZ 3.89Å; I491-F520 HydrophobicContact CG1-CZ 4.26Å; I491-F520 HydrophobicContact CG2-CE1 3.55Å; I491-F520 HydrophobicContact CG2-CZ 3.71Å; I510-F520 HydrophobicContact CD1-CE1 4.05Å; I510-F520 HydrophobicContact CG1-CD1 3.93Å; I510-F520 HydrophobicContact CG1-CE1 3.89Å; P518-F520 HydrophobicContact CB-CE2 4.43Å
521	Y	88	Confident	75.7	Confident	90 Å²	90	71.7 Å²	71.7	35%	0.353	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	105.6	179.2	-73.3	-99.9	0	0	0	111.2	A508 Y509 K511 R519	A508-Y521 VanDerWaalsContact CA-O 3.26Å; A508-Y521 WeakPolarHBondContact CA-O 3.23Å; Y509-Y521 HydrophobicContact CD2-CD2 4.39Å; Y509-Y521 HydrophobicContact CD2-CG 4.3Å; Y509-Y521 HydrophobicContact CE2-CD1 4.26Å; Y509-Y521 AromaticContact CE2-CD2 3.92Å; Y509-Y521 HydrophobicContact CE2-CD2 3.92Å; Y509-Y521 AromaticContact CE2-CG 3.55Å; Y509-Y521 HydrophobicContact CE2-CG 3.55Å; Y509-Y521 AromaticContact CZ-CG 3.98Å; Y509-Y521 PolarHBondContact N-O 3.4Å; Y509-Y521 VanDerWaalsContact N-O 3.13Å; Y509-Y521 PolarHBondContact O-N 3.43Å; K511-Y521 HydrophobicContact CB-CD2 4Å; K511-Y521 HydrophobicContact CB-CE2 3.69Å; K511-Y521 HydrophobicContact CD-CD2 3.99Å; K511-Y521 HydrophobicContact CD-CE2 3.64Å; K511-Y521 HydrophobicContact CG-CD2 4.12Å; K511-Y521 HydrophobicContact CG-CE2 4.02Å; R519-Y521 HydrophobicContact CB-CE2 3.86Å; R519-Y521 WeakPolarHBondContact O-CD2 3.42Å
522	Q	87.3	Confident	73	Confident	58 Å²	58	73 Å²	73	27%	0.271	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	155.9	179.2	-57.2	-174.9	-70.4	0	0	113.1	K189 E480 Y482 R506 G507	K189-Q522 PolarHBondContact NZ-O 2.84Å; E480-Q522 PolarHBondContact O-NE2 3.43Å; E480-Q522 PolarHBondContact OE2-NE2 2.82Å; Y482-Q522 HydrophobicContact CD1-CG 4.43Å; Y482-Q522 HydrophobicContact CE1-CG 4.03Å; R506-Q522 VanDerWaalsContact CD-NE2 3.33Å; G507-Q522 CarbonylContact O-C 3.58Å; G507-Q522 WeakPolarHBondContact O-CA 3.44Å
523	Y	83.8	Confident	70.6	Confident	11 Å²	11	76.7 Å²	76.7	4%	0.043	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	168.9	168.8	57.8	-86.8	0	0	0	111.8	D182 L185 I186 S495 R506 G507 Y509	D182-Y523 HydrophobicContact CB-CE2 4.05Å; D182-Y523 WeakPolarHBondContact OD1-CE2 3.48Å; L185-Y523 HydrophobicContact CD2-CD2 3.88Å; L185-Y523 HydrophobicContact CD2-CG 4.26Å; I186-Y523 WeakPolarHBondContact CD1-OH 3.29Å; I186-Y523 HydrophobicContact CG1-CE1 4.07Å; S495-Y523 VanDerWaalsContact CA-OH 3.29Å; S495-Y523 WeakPolarHBondContact CA-OH 3.37Å; S495-Y523 VanDerWaalsContact CB-OH 3.28Å; S495-Y523 WeakPolarHBondContact CB-OH 3.13Å; S495-Y523 PolarHBondContact O-OH 3.4Å; R506-Y523 WeakPolarHBondContact CA-O 3.36Å; R506-Y523 WeakPolarHBondContact CB-O 3.38Å; G507-Y523 PolarHBondContact N-O 2.96Å; G507-Y523 WeakPolarHBondContact O-CD1 3.37Å; G507-Y523 PolarHBondContact O-N 3.14Å; G507-Y523 VanDerWaalsContact O-O 3.07Å; Y509-Y523 HydrophobicContact CD1-CD1 4.11Å; Y509-Y523 AromaticContact CD1-CE1 3.68Å; Y509-Y523 HydrophobicContact CD1-CE1 3.68Å; Y509-Y523 HydrophobicContact CE1-CD1 4.06Å; Y509-Y523 HydrophobicContact CE1-CE1 4.08Å
524	Q	82	Confident	68.2	Low	76 Å²	76	79.7 Å²	79.7	36%	0.355	37%	0.371	S	S	.	.			trans	-152.1	127.1	172.6	-166.8	170.3	2.8	0	0	108.3	N498 R506	N498-Q524 WeakPolarHBondContact ND2-CG 3.06Å; N498-Q524 PolarHBondContact OD1-NE2 2.88Å; R506-Q524 HydrophobicContact CG-CB 4.45Å
525	V	78.9	Confident	65.9	Low	7 Å²	7	76.6 Å²	76.6	4%	0.042	36%	0.361	C	S	.	.			trans	-77	134.3	171.5	170.9	0	0	0	0	108.5	D181 D182 L185 S497 N498 R530	D181-V525 HydrophobicContact CB-CG1 4.16Å; D181-V525 HydrophobicContact CB-CG2 4.38Å; D182-V525 WeakPolarHBondContact OD1-CG2 3.25Å; L185-V525 HydrophobicContact CB-CG2 4.48Å; L185-V525 HydrophobicContact CD2-CG2 3.75Å; S497-V525 PolarHBondContact OG-N 3.42Å; N498-V525 PolarHBondContact ND2-O 2.74Å; V525-R530 HydrophobicContact CG1-CG 4.2Å
526	S	66.6	Low	63.6	Low	39 Å²	39	76.2 Å²	76.2	27%	0.273	36%	0.359	S	S	.	.			trans	-115.4	164.6	171.4	73.6	0	0	0	0	110.8	T528 T529 R530	S526-T528 PolarHBondContact O-N 2.94Å; S526-T528 VanDerWaalsContact O-N 3.16Å; S526-T528 PolarHBondContact OG-N 2.97Å; S526-T528 PolarHBondContact OG-OG1 3.48Å; S526-T529 PolarHBondContact N-OG1 3.4Å; S526-T529 WeakPolarHBondContact O-CB 3.22Å; S526-T529 PolarHBondContact O-N 2.99Å; S526-T529 PolarHBondContact OG-N 3.45Å; S526-T529 PolarHBondContact OG-OG1 2.75Å; S526-R530 PolarHBondContact O-N 3.48Å
527	R	52.4	Low	61.4	Low	177 Å²	177	79.1 Å²	79.1	67%	0.668	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-22.5	170.3	-77.7	165.1	77.1	163.7	3.6	114.3	E502	E502-R527 VanDerWaalsContact OE1-CG 3.31Å; E502-R527 WeakPolarHBondContact OE1-CG 3.33Å; E502-R527 PolarHBondContact OE1-N 2.67Å; E502-R527 WeakPolarHBondContact OE2-CD 3.43Å
528	T	44.5	Very low	59	Low	99 Å²	99	78.3 Å²	78.3	61%	0.607	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-37.1	170.3	-1.6	0	0	0	0	112.2	S526 R530 L532	S526-T528 PolarHBondContact O-N 2.94Å; S526-T528 VanDerWaalsContact O-N 3.16Å; S526-T528 PolarHBondContact OG-N 2.97Å; S526-T528 PolarHBondContact OG-OG1 3.48Å; T528-R530 VanDerWaalsContact C-N 3.3Å; T528-R530 PolarHBondContact O-N 2.86Å; T528-L532 HydrophobicContact CG2-CD1 4.35Å
529	T	44.5	Very low	56.6	Low	40 Å²	40	80.8 Å²	80.8	25%	0.245	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-67	-30.6	175.4	-42.3	0	0	0	0	112.4	S526 R531	S526-T529 PolarHBondContact N-OG1 3.4Å; S526-T529 WeakPolarHBondContact O-CB 3.22Å; S526-T529 PolarHBondContact O-N 2.99Å; S526-T529 PolarHBondContact OG-N 3.45Å; S526-T529 PolarHBondContact OG-OG1 2.75Å; T529-R531 PolarHBondContact O-N 2.99Å; T529-R531 VanDerWaalsContact O-N 3.16Å
530	R	46.3	Very low	54.2	Low	133 Å²	133	77.5 Å²	77.5	50%	0.502	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-68.2	-7.6	-175.4	-76	-171.4	173.7	133.2	7.5	116.6	D181 V525 S526 T528	D181-R530 IonicContact OD2-NE 3.41Å; D181-R530 PolarHBondContact OD2-NE 3.19Å; D181-R530 VanDerWaalsContact OD2-NE 3.07Å; V525-R530 HydrophobicContact CG1-CG 4.2Å; S526-R530 PolarHBondContact O-N 3.48Å; T528-R530 VanDerWaalsContact C-N 3.3Å; T528-R530 PolarHBondContact O-N 2.86Å
531	R	38.9	Very low	51.8	Low	223 Å²	223	78 Å²	78	84%	0.842	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-139.4	3.4	-166.5	-122.2	-176.3	-176.4	-163	-1.2	116.3	T529	T529-R531 PolarHBondContact O-N 2.99Å; T529-R531 VanDerWaalsContact O-N 3.16Å
532	L	35.3	Very low	49.8	Very low	58 Å²	58	77.4 Å²	77.4	30%	0.304	38%	0.381	S	S	.	.			trans	-127	122.3	-171.9	-58.4	176.9	0	0	0	110	T528 Q536 R537 A540	T528-L532 HydrophobicContact CG2-CD1 4.35Å; L532-Q536 HydrophobicContact CB-CB 3.82Å; L532-Q536 HydrophobicContact CD2-CB 3.92Å; L532-Q536 HydrophobicContact CG-CB 4.41Å; L532-R537 HydrophobicContact CB-CG 3.54Å; L532-R537 HydrophobicContact CD1-CG 4.47Å; L532-R537 WeakPolarHBondContact O-CD 3.47Å; L532-A540 HydrophobicContact CD1-CB 4.26Å
533	T	37.3	Very low	47.8	Very low	78 Å²	78	76 Å²	76	48%	0.479	38%	0.382	S	S	.	.			trans	-60.9	170.3	168.3	65.9	0	0	0	0	111.1	T535 Q536 R537	T533-T535 VanDerWaalsContact C-N 3.3Å; T533-T535 PolarHBondContact O-N 3.36Å; T533-Q536 CarbonylContact O-C 3.58Å; T533-Q536 PolarHBondContact O-N 3.13Å; T533-Q536 WeakPolarHBondContact OG1-CG 3.27Å; T533-Q536 PolarHBondContact OG1-N 3.04Å; T533-Q536 PolarHBondContact OG1-OE1 3.27Å; T533-R537 WeakPolarHBondContact O-CG 3.47Å; T533-R537 PolarHBondContact O-N 2.88Å
534	L	33.8	Very low	45.8	Very low	70 Å²	70	79 Å²	79	37%	0.366	41%	0.405	S	S	.	.	H	α-helix	trans	-49.6	-52.5	175.5	179.9	57.1	0	0	0	111.5	Y188 Q536 R537 V538	Y188-L534 HydrophobicContact CE2-CD1 4.24Å; Y188-L534 VanDerWaalsContact OH-CD1 3.27Å; Y188-L534 WeakPolarHBondContact OH-CD1 3.47Å; L534-Q536 VanDerWaalsContact C-N 3.3Å; L534-Q536 PolarHBondContact O-N 2.98Å; L534-R537 PolarHBondContact O-N 3.13Å; L534-R537 VanDerWaalsContact O-N 3.13Å; L534-V538 HydrophobicContact CD1-CG2 4.41Å; L534-V538 WeakPolarHBondContact O-CG2 3.38Å; L534-V538 PolarHBondContact O-N 3.46Å
535	T	33.5	Very low	44	Very low	42 Å²	42	78.3 Å²	78.3	26%	0.258	41%	0.413	S	S	.	.	H	α-helix	trans	-55.2	-41.3	176.5	-25.9	0	0	0	0	112.7	T533 R539 P630	T533-T535 VanDerWaalsContact C-N 3.3Å; T533-T535 PolarHBondContact O-N 3.36Å; T535-R539 WeakPolarHBondContact O-CB 3.41Å; T535-R539 VanDerWaalsContact O-CG 3.24Å; T535-R539 WeakPolarHBondContact O-CG 3.43Å; T535-R539 PolarHBondContact O-N 3.03Å; T535-R539 VanDerWaalsContact O-N 3.08Å; T535-P630 HydrophobicContact CG2-CB 4.18Å
536	Q	37.6	Very low	42.8	Very low	83 Å²	83	79.1 Å²	79.1	39%	0.388	42%	0.417	S	S	.	.	H	α-helix	trans	-76.7	-29.3	179.8	-68.7	169.3	-23.1	0	0	112.9	L532 T533 L534 A540	L532-Q536 HydrophobicContact CB-CB 3.82Å; L532-Q536 HydrophobicContact CD2-CB 3.92Å; L532-Q536 HydrophobicContact CG-CB 4.41Å; T533-Q536 CarbonylContact O-C 3.58Å; T533-Q536 PolarHBondContact O-N 3.13Å; T533-Q536 WeakPolarHBondContact OG1-CG 3.27Å; T533-Q536 PolarHBondContact OG1-N 3.04Å; T533-Q536 PolarHBondContact OG1-OE1 3.27Å; L534-Q536 VanDerWaalsContact C-N 3.3Å; L534-Q536 PolarHBondContact O-N 2.98Å; Q536-A540 WeakPolarHBondContact O-CB 3.37Å; Q536-A540 PolarHBondContact O-N 3.02Å
537	R	39	Very low	42.2	Very low	88 Å²	88	85 Å²	85	33%	0.332	43%	0.433	S	S	.	.	H	α-helix	trans	-72.2	-40.9	173.8	-71.1	173.9	60.9	-160.4	-6.2	111.6	L532 T533 L534 A540 A541	L532-R537 HydrophobicContact CB-CG 3.54Å; L532-R537 HydrophobicContact CD1-CG 4.47Å; L532-R537 WeakPolarHBondContact O-CD 3.47Å; T533-R537 WeakPolarHBondContact O-CG 3.47Å; T533-R537 PolarHBondContact O-N 2.88Å; L534-R537 PolarHBondContact O-N 3.13Å; L534-R537 VanDerWaalsContact O-N 3.13Å; R537-A540 PolarHBondContact O-N 3.3Å; R537-A541 PolarHBondContact O-N 3.23Å; R537-A541 VanDerWaalsContact O-N 3.08Å
538	V	38.2	Very low	42	Very low	66 Å²	66	79.2 Å²	79.2	40%	0.4	42%	0.422	S	S	.	.	H	α-helix	trans	-60.1	-55.6	172.2	173.4	0	0	0	0	109.5	L534 A540 A541 E542	L534-V538 HydrophobicContact CD1-CG2 4.41Å; L534-V538 WeakPolarHBondContact O-CG2 3.38Å; L534-V538 PolarHBondContact O-N 3.46Å; V538-A540 PolarHBondContact O-N 3.41Å; V538-A540 VanDerWaalsContact O-N 3.15Å; V538-A541 PolarHBondContact O-N 3.12Å; V538-E542 WeakPolarHBondContact O-CB 3.41Å; V538-E542 PolarHBondContact O-N 3.47Å
539	R	40.1	Very low	42.5	Very low	85 Å²	85	75.2 Å²	75.2	32%	0.321	40%	0.397	S	S	.	.	H	α-helix	trans	-54.3	-35.3	177.4	-73.3	171.9	-178.7	179.6	2.3	114.1	T535 G543 V628	T535-R539 WeakPolarHBondContact O-CB 3.41Å; T535-R539 VanDerWaalsContact O-CG 3.24Å; T535-R539 WeakPolarHBondContact O-CG 3.43Å; T535-R539 PolarHBondContact O-N 3.03Å; T535-R539 VanDerWaalsContact O-N 3.08Å; R539-G543 PolarHBondContact O-N 3.29Å; R539-V628 PolarHBondContact NH2-O 3.35Å
540	A	39.8	Very low	43.5	Very low	50 Å²	50	75 Å²	75	41%	0.413	39%	0.393	S	S	.	.	H	α-helix	trans	-73.2	-38.6	177.4	0	0	0	0	0	113.1	L532 Q536 R537 V538 S544	L532-A540 HydrophobicContact CD1-CB 4.26Å; Q536-A540 WeakPolarHBondContact O-CB 3.37Å; Q536-A540 PolarHBondContact O-N 3.02Å; R537-A540 PolarHBondContact O-N 3.3Å; V538-A540 PolarHBondContact O-N 3.41Å; V538-A540 VanDerWaalsContact O-N 3.15Å; A540-S544 WeakPolarHBondContact O-CB 3.37Å; A540-S544 PolarHBondContact O-N 3.43Å
541	A	40	Very low	44.1	Very low	65 Å²	65	74.1 Å²	74.1	54%	0.537	39%	0.394	S	S	.	.	H	α-helix	trans	-70.4	-44.9	174.5	0	0	0	0	0	111.3	R537 V538 S544 A545	R537-A541 PolarHBondContact O-N 3.23Å; R537-A541 VanDerWaalsContact O-N 3.08Å; V538-A541 PolarHBondContact O-N 3.12Å; A541-S544 PolarHBondContact O-N 2.97Å; A541-A545 WeakPolarHBondContact O-CB 3.21Å; A541-A545 PolarHBondContact O-N 2.73Å
542	E	45.2	Very low	45.1	Very low	77 Å²	77	66.6 Å²	66.6	36%	0.36	37%	0.368	S	S	.	.	H	α-helix	trans	-55.1	-53.8	173.2	176.5	178	-140.4	0	0	111.5	V538 S544 A545 L546	V538-E542 WeakPolarHBondContact O-CB 3.41Å; V538-E542 PolarHBondContact O-N 3.47Å; E542-S544 VanDerWaalsContact C-N 3.27Å; E542-S544 PolarHBondContact O-N 3.38Å; E542-A545 PolarHBondContact O-N 2.71Å; E542-A545 VanDerWaalsContact O-N 3.14Å; E542-L546 HydrophobicContact CG-CD1 4Å; E542-L546 WeakPolarHBondContact O-CB 3.34Å; E542-L546 WeakPolarHBondContact O-CG 3.43Å; E542-L546 PolarHBondContact O-N 2.88Å
543	G	45.2	Very low	46.7	Very low	28 Å²	28	63.9 Å²	63.9	29%	0.289	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-30.2	176.9	0	0	0	0	0	114	R539 R547	R539-G543 PolarHBondContact O-N 3.29Å; G543-R547 WeakPolarHBondContact O-CB 3.49Å; G543-R547 PolarHBondContact O-N 3.15Å; G543-R547 VanDerWaalsContact O-N 3.12Å
544	S	43.6	Very low	48.5	Very low	74 Å²	74	64.7 Å²	64.7	52%	0.517	35%	0.351	S	S	.	.	H	α-helix	trans	-76.7	-35.3	173.6	-164.3	0	0	0	0	112.7	A540 A541 E542 A548	A540-S544 WeakPolarHBondContact O-CB 3.37Å; A540-S544 PolarHBondContact O-N 3.43Å; A541-S544 PolarHBondContact O-N 2.97Å; E542-S544 VanDerWaalsContact C-N 3.27Å; E542-S544 PolarHBondContact O-N 3.38Å; S544-A548 PolarHBondContact O-N 3.15Å; S544-A548 VanDerWaalsContact O-N 3.08Å
545	A	44.2	Very low	50	Low	63 Å²	63	64.9 Å²	64.9	52%	0.521	36%	0.363	S	S	.	.	H	α-helix	trans	-70.2	-46.1	176	0	0	0	0	0	111.1	A541 E542 R547 A548 L549	A541-A545 WeakPolarHBondContact O-CB 3.21Å; A541-A545 PolarHBondContact O-N 2.73Å; E542-A545 PolarHBondContact O-N 2.71Å; E542-A545 VanDerWaalsContact O-N 3.14Å; A545-R547 VanDerWaalsContact C-N 3.29Å; A545-R547 PolarHBondContact O-N 2.74Å; A545-A548 PolarHBondContact O-N 3.38Å; A545-L549 VanDerWaalsContact O-CB 3.3Å; A545-L549 WeakPolarHBondContact O-CB 3.19Å; A545-L549 PolarHBondContact O-N 2.98Å
546	L	52.6	Low	51.9	Low	24 Å²	24	65.6 Å²	65.6	13%	0.126	36%	0.363	C	S	.	.	H	α-helix	trans	-60.1	-37.6	173.5	-71.9	170.7	0	0	0	111.9	E542 L549 K550 H600 L601	E542-L546 HydrophobicContact CG-CD1 4Å; E542-L546 WeakPolarHBondContact O-CB 3.34Å; E542-L546 WeakPolarHBondContact O-CG 3.43Å; E542-L546 PolarHBondContact O-N 2.88Å; L546-L549 PolarHBondContact O-N 2.93Å; L546-K550 WeakPolarHBondContact O-CG 3.47Å; L546-K550 PolarHBondContact O-N 3.4Å; L546-H600 HydrophobicContact CD1-CB 3.99Å; L546-H600 HydrophobicContact CD2-CB 3.91Å; L546-L601 HydrophobicContact CD2-CD2 4.05Å; L546-L601 HydrophobicContact CD2-CG 4.48Å
547	R	54.9	Low	53.8	Low	163 Å²	163	66.6 Å²	66.6	62%	0.615	36%	0.363	S	S	*	.	H	α-helix	trans	-64.2	-51.3	173.4	-176.8	177	-62.7	149.1	4.5	112	G543 A545 L549 K550 E551	G543-R547 WeakPolarHBondContact O-CB 3.49Å; G543-R547 PolarHBondContact O-N 3.15Å; G543-R547 VanDerWaalsContact O-N 3.12Å; A545-R547 VanDerWaalsContact C-N 3.29Å; A545-R547 PolarHBondContact O-N 2.74Å; R547-L549 PolarHBondContact O-N 2.85Å; R547-K550 PolarHBondContact O-N 2.97Å; R547-E551 HydrophobicContact CG-CG 4.42Å; R547-E551 VanDerWaalsContact CG-OE1 3.3Å; R547-E551 WeakPolarHBondContact CG-OE1 3.29Å; R547-E551 WeakPolarHBondContact O-CB 3.48Å; R547-E551 WeakPolarHBondContact O-CG 3.44Å; R547-E551 PolarHBondContact O-N 3.28Å
548	A	47.4	Very low	55.6	Low	54 Å²	54	66.5 Å²	66.5	45%	0.446	38%	0.376	S	S	.	.	H	α-helix	trans	-60	-31.2	176.9	0	0	0	0	0	112.2	S544 A545 K552	S544-A548 PolarHBondContact O-N 3.15Å; S544-A548 VanDerWaalsContact O-N 3.08Å; A545-A548 PolarHBondContact O-N 3.38Å; A548-K552 WeakPolarHBondContact O-CB 3.21Å; A548-K552 PolarHBondContact O-N 3.29Å
549	L	56.2	Low	57.6	Low	16 Å²	16	68.1 Å²	68.1	8%	0.084	38%	0.379	C	S	.	.	H	α-helix	trans	-72.2	-44.2	175.2	-164.4	59.2	0	0	0	112.1	A545 L546 R547 K552 L553 L590 L592 W594 L597 L601	A545-L549 VanDerWaalsContact O-CB 3.3Å; A545-L549 WeakPolarHBondContact O-CB 3.19Å; A545-L549 PolarHBondContact O-N 2.98Å; L546-L549 PolarHBondContact O-N 2.93Å; R547-L549 PolarHBondContact O-N 2.85Å; L549-K552 PolarHBondContact O-N 3.13Å; L549-L553 WeakPolarHBondContact O-CB 3.46Å; L549-L553 WeakPolarHBondContact O-CG 3.47Å; L549-L553 PolarHBondContact O-N 3.09Å; L549-L590 HydrophobicContact CD1-CD1 3.95Å; L549-L592 HydrophobicContact CD1-CD1 3.94Å; L549-L592 HydrophobicContact CD2-CD1 4.32Å; L549-W594 HydrophobicContact CD1-CH2 3.8Å; L549-W594 HydrophobicContact CD1-CZ3 3.92Å; L549-W594 HydrophobicContact CD2-CZ3 4.05Å; L549-W594 HydrophobicContact CG-CZ3 4.25Å; L549-L597 HydrophobicContact CD2-CD1 4.04Å; L549-L601 HydrophobicContact CD2-CD1 3.83Å; L549-L601 HydrophobicContact CD2-CD2 4.23Å
550	K	63.7	Low	59.6	Low	36 Å²	36	64.1 Å²	64.1	16%	0.157	36%	0.364	C	S	.	.	H	α-helix	trans	-62.7	-39.1	171.8	-75	-163.9	-179.9	-163.4	0	112.2	L546 R547 L553 F554 H600 L601 D618	L546-K550 WeakPolarHBondContact O-CG 3.47Å; L546-K550 PolarHBondContact O-N 3.4Å; R547-K550 PolarHBondContact O-N 2.97Å; K550-L553 PolarHBondContact O-N 3.08Å; K550-F554 WeakPolarHBondContact O-CB 3.36Å; K550-F554 PolarHBondContact O-N 2.86Å; K550-H600 WeakPolarHBondContact CE-O 3.36Å; K550-L601 HydrophobicContact CG-CD2 4.08Å; K550-D618 IonicContact NZ-OD2 3.45Å; K550-D618 PolarHBondContact NZ-OD2 3.38Å
551	E	59.3	Low	61.6	Low	113 Å²	113	63.6 Å²	63.6	53%	0.528	35%	0.353	S	S	.	.	H	α-helix	trans	-61.3	-42.6	173	-73.6	168.5	-171.3	0	0	111.5	R547 F554 A555	R547-E551 HydrophobicContact CG-CG 4.42Å; R547-E551 VanDerWaalsContact CG-OE1 3.3Å; R547-E551 WeakPolarHBondContact CG-OE1 3.29Å; R547-E551 WeakPolarHBondContact O-CB 3.48Å; R547-E551 WeakPolarHBondContact O-CG 3.44Å; R547-E551 PolarHBondContact O-N 3.28Å; E551-F554 PolarHBondContact O-N 3.47Å; E551-A555 WeakPolarHBondContact O-CB 3.41Å; E551-A555 PolarHBondContact O-N 3.1Å
552	K	60.2	Low	63.7	Low	66 Å²	66	64.6 Å²	64.6	29%	0.287	35%	0.353	S	S	.	.	H	α-helix	trans	-70.6	-39.4	176.3	-158.8	-171.4	-178	-166.4	0	112.8	A548 L549 F554 A555 H556 L588 L590	A548-K552 WeakPolarHBondContact O-CB 3.21Å; A548-K552 PolarHBondContact O-N 3.29Å; L549-K552 PolarHBondContact O-N 3.13Å; K552-F554 VanDerWaalsContact C-N 3.33Å; K552-F554 PolarHBondContact O-N 3.11Å; K552-A555 PolarHBondContact O-N 3.28Å; K552-H556 PolarHBondContact O-CD2 3.19Å; K552-H556 PolarHBondContact O-N 2.66Å; K552-H556 VanDerWaalsContact O-N 3.14Å; K552-L588 HydrophobicContact CD-CD2 4.41Å; K552-L588 HydrophobicContact CG-CD2 4.28Å; K552-L588 PolarHBondContact NZ-O 2.91Å; K552-L590 HydrophobicContact CD-CD1 3.88Å
553	L	70	Confident	65.6	Low	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-55.2	-49.4	171.2	-78.1	158.8	0	0	0	110.5	L549 K550 A555 H556 R557 L560 L584 L588 L601	L549-L553 WeakPolarHBondContact O-CB 3.46Å; L549-L553 WeakPolarHBondContact O-CG 3.47Å; L549-L553 PolarHBondContact O-N 3.09Å; K550-L553 PolarHBondContact O-N 3.08Å; L553-A555 PolarHBondContact O-N 3.16Å; L553-H556 CarbonylContact O-C 3.56Å; L553-H556 PolarHBondContact O-N 3.05Å; L553-R557 PolarHBondContact O-N 3.34Å; L553-L560 HydrophobicContact CB-CD1 4.5Å; L553-L560 HydrophobicContact CD2-CD1 3.8Å; L553-L560 WeakPolarHBondContact O-CD1 3.44Å; L553-L584 HydrophobicContact CD2-CD1 4.32Å; L553-L584 HydrophobicContact CD2-CD2 3.48Å; L553-L584 VanDerWaalsContact CD2-CD2 3.48Å; L553-L588 HydrophobicContact CD2-CD1 3.78Å; L553-L588 HydrophobicContact CG-CD1 4.18Å; L553-L601 HydrophobicContact CD1-CD2 4.08Å
554	F	73.4	Confident	67.6	Low	95 Å²	95	60.1 Å²	60.1	42%	0.417	33%	0.327	S	S	.	.	H	α-helix	trans	-64.2	-40.2	178.5	-168.1	-87.2	0	0	0	112.7	K550 E551 K552 H556 R557 V619	K550-F554 WeakPolarHBondContact O-CB 3.36Å; K550-F554 PolarHBondContact O-N 2.86Å; E551-F554 PolarHBondContact O-N 3.47Å; K552-F554 VanDerWaalsContact C-N 3.33Å; K552-F554 PolarHBondContact O-N 3.11Å; F554-H556 VanDerWaalsContact C-N 3.28Å; F554-H556 PolarHBondContact O-N 3.28Å; F554-R557 VanDerWaalsContact O-CB 3.22Å; F554-R557 WeakPolarHBondContact O-CB 3.49Å; F554-R557 PolarHBondContact O-N 2.93Å; F554-R557 VanDerWaalsContact O-N 3.16Å; F554-V619 HydrophobicContact CB-CG2 4.42Å; F554-V619 HydrophobicContact CD2-CB 4.37Å; F554-V619 HydrophobicContact CD2-CG2 3.77Å; F554-V619 HydrophobicContact CE2-CG2 4.39Å; F554-V619 HydrophobicContact CG-CG2 4.3Å
555	A	66.1	Low	69.5	Low	75 Å²	75	60.2 Å²	60.2	62%	0.62	32%	0.321	S	S	*	.	H	α-helix	trans	-61.7	-33	177.5	0	0	0	0	0	113.4	E551 K552 L553	E551-A555 WeakPolarHBondContact O-CB 3.41Å; E551-A555 PolarHBondContact O-N 3.1Å; K552-A555 PolarHBondContact O-N 3.28Å; L553-A555 PolarHBondContact O-N 3.16Å
556	H	72.6	Confident	71.4	Confident	56 Å²	56	64 Å²	64	26%	0.259	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	15.3	177.1	-70.7	-91.3	0	0	0	113.4	K552 L553 F554 S558 E559 L560 V587 L588	K552-H556 PolarHBondContact O-CD2 3.19Å; K552-H556 PolarHBondContact O-N 2.66Å; K552-H556 VanDerWaalsContact O-N 3.14Å; L553-H556 CarbonylContact O-C 3.56Å; L553-H556 PolarHBondContact O-N 3.05Å; F554-H556 VanDerWaalsContact C-N 3.28Å; F554-H556 PolarHBondContact O-N 3.28Å; H556-S558 VanDerWaalsContact C-N 3.3Å; H556-S558 PolarHBondContact O-N 3.44Å; H556-S558 VanDerWaalsContact O-N 3.14Å; H556-E559 IonicContact CE1-OE2 3.71Å; H556-E559 IonicContact CG-OE2 3.71Å; H556-E559 IonicContact ND1-OE2 2.75Å; H556-E559 PolarHBondContact ND1-OE2 2.99Å; H556-E559 PolarHBondContact O-N 3.01Å; H556-L560 HydrophobicContact CB-CD1 4.37Å; H556-L560 HydrophobicContact CB-CG 4.4Å; H556-L560 WeakPolarHBondContact O-CG 3.31Å; H556-L560 PolarHBondContact O-N 2.94Å; H556-V587 HydrophobicContact CB-CG1 4.2Å; H556-L588 HydrophobicContact CB-CD2 3.76Å
557	R	78.3	Confident	72.7	Confident	105 Å²	105	67.7 Å²	67.7	40%	0.396	34%	0.341	S	S	.	.	H	α-helix	trans	-50.7	-43.9	-172.9	178	173.6	-178.9	-176.6	2.2	113.5	L553 F554 E559 L560 M561 F616	L553-R557 PolarHBondContact O-N 3.34Å; F554-R557 VanDerWaalsContact O-CB 3.22Å; F554-R557 WeakPolarHBondContact O-CB 3.49Å; F554-R557 PolarHBondContact O-N 2.93Å; F554-R557 VanDerWaalsContact O-N 3.16Å; R557-E559 PolarHBondContact O-N 3.48Å; R557-L560 PolarHBondContact O-N 2.9Å; R557-M561 HydrophobicContact CG-CG 3.93Å; R557-M561 WeakPolarHBondContact O-CB 3.48Å; R557-M561 WeakPolarHBondContact O-CG 3.28Å; R557-M561 PolarHBondContact O-N 2.76Å; R557-F616 HydrophobicContact CB-CD1 4.06Å; R557-F616 HydrophobicContact CB-CE1 3.73Å; R557-F616 HydrophobicContact CB-CZ 4.28Å; R557-F616 HydrophobicContact CG-CD1 3.81Å; R557-F616 HydrophobicContact CG-CD2 4.32Å; R557-F616 HydrophobicContact CG-CE1 3.67Å; R557-F616 HydrophobicContact CG-CE2 4.21Å; R557-F616 HydrophobicContact CG-CG 4.14Å; R557-F616 HydrophobicContact CG-CZ 3.88Å
558	S	77.4	Confident	74	Confident	85 Å²	85	60.2 Å²	60.2	59%	0.594	31%	0.314	S	S	*	.	H	α-helix	trans	-61.9	-41.8	179.9	48.4	0	0	0	0	112.9	H556 T562	H556-S558 VanDerWaalsContact C-N 3.3Å; H556-S558 PolarHBondContact O-N 3.44Å; H556-S558 VanDerWaalsContact O-N 3.14Å; S558-T562 PolarHBondContact O-N 3.01Å; S558-T562 VanDerWaalsContact O-N 3.09Å; S558-T562 PolarHBondContact O-OG1 3.35Å
559	E	79	Confident	75.3	Confident	101 Å²	101	62.7 Å²	62.7	47%	0.472	33%	0.325	S	S	.	.	H	α-helix	trans	-71.6	-41	-179.2	-62.4	170.1	172.7	0	0	110.6	H556 R557 T562 G563 V587	H556-E559 IonicContact CE1-OE2 3.71Å; H556-E559 IonicContact CG-OE2 3.71Å; H556-E559 IonicContact ND1-OE2 2.75Å; H556-E559 PolarHBondContact ND1-OE2 2.99Å; H556-E559 PolarHBondContact O-N 3.01Å; R557-E559 PolarHBondContact O-N 3.48Å; E559-T562 PolarHBondContact O-N 2.93Å; E559-G563 PolarHBondContact O-N 2.85Å; E559-V587 HydrophobicContact CB-CG1 3.68Å
560	L	82.2	Confident	76.4	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-63	-44.4	174.3	-70	174.3	0	0	0	112.5	L553 H556 R557 T562 G563 F564 V583 L584 V587 L588 F616	L553-L560 HydrophobicContact CB-CD1 4.5Å; L553-L560 HydrophobicContact CD2-CD1 3.8Å; L553-L560 WeakPolarHBondContact O-CD1 3.44Å; H556-L560 HydrophobicContact CB-CD1 4.37Å; H556-L560 HydrophobicContact CB-CG 4.4Å; H556-L560 WeakPolarHBondContact O-CG 3.31Å; H556-L560 PolarHBondContact O-N 2.94Å; R557-L560 PolarHBondContact O-N 2.9Å; L560-T562 VanDerWaalsContact C-N 3.34Å; L560-T562 PolarHBondContact O-N 3.32Å; L560-G563 WeakPolarHBondContact O-CA 3.27Å; L560-G563 PolarHBondContact O-N 2.6Å; L560-G563 VanDerWaalsContact O-N 3.1Å; L560-F564 HydrophobicContact CB-CE2 4.01Å; L560-F564 WeakPolarHBondContact O-CD2 3.38Å; L560-F564 WeakPolarHBondContact O-CG 3.21Å; L560-F564 PolarHBondContact O-N 3.05Å; L560-V583 HydrophobicContact CD2-CG1 4.17Å; L560-L584 HydrophobicContact CD1-CD2 4.32Å; L560-L584 HydrophobicContact CD2-CD2 3.67Å; L560-V587 HydrophobicContact CD2-CB 3.72Å; L560-V587 HydrophobicContact CD2-CG1 3.77Å; L560-V587 HydrophobicContact CD2-CG2 4.13Å; L560-V587 HydrophobicContact CG-CB 4.49Å; L560-V587 HydrophobicContact CG-CG1 4Å; L560-L588 HydrophobicContact CD1-CD2 4.47Å; L560-L588 HydrophobicContact CD2-CG 4.49Å; L560-F616 HydrophobicContact CB-CZ 4.22Å; L560-F616 HydrophobicContact CD1-CE1 4.23Å; L560-F616 HydrophobicContact CD1-CZ 4.2Å
561	M	82.4	Confident	77	Confident	40 Å²	40	74.1 Å²	74.1	20%	0.197	38%	0.383	C	S	.	.	H	α-helix	trans	-62.4	-42.1	176.5	-60.8	-99.2	66.8	0	0	110.9	R557 G563 F564 L565 Y612 F616	R557-M561 HydrophobicContact CG-CG 3.93Å; R557-M561 WeakPolarHBondContact O-CB 3.48Å; R557-M561 WeakPolarHBondContact O-CG 3.28Å; R557-M561 PolarHBondContact O-N 2.76Å; M561-G563 VanDerWaalsContact C-N 3.27Å; M561-G563 PolarHBondContact O-N 3.44Å; M561-F564 HydrophobicContact CE-CD2 4.18Å; M561-F564 PolarHBondContact O-N 2.82Å; M561-L565 WeakPolarHBondContact O-CB 3.4Å; M561-L565 VanDerWaalsContact O-CG 3.31Å; M561-L565 WeakPolarHBondContact O-CG 3.41Å; M561-L565 PolarHBondContact O-N 2.9Å; M561-L565 VanDerWaalsContact O-N 3.08Å; M561-Y612 HydrophobicContact CE-CD2 3.43Å; M561-Y612 VanDerWaalsContact CE-CD2 3.43Å; M561-Y612 HydrophobicContact CE-CE2 3.42Å; M561-Y612 VanDerWaalsContact CE-CE2 3.42Å; M561-F616 HydrophobicContact CE-CE2 3.91Å; M561-F616 HydrophobicContact CG-CE2 4.48Å; M561-F616 HydrophobicContact SD-CE2 4.13Å
562	T	83.9	Confident	77.9	Confident	86 Å²	86	72.9 Å²	72.9	53%	0.528	38%	0.383	S	S	.	.	H	α-helix	trans	-61.3	-35.1	172.6	-55.9	0	0	0	0	112.3	S558 E559 L560 Q566	S558-T562 PolarHBondContact O-N 3.01Å; S558-T562 VanDerWaalsContact O-N 3.09Å; S558-T562 PolarHBondContact O-OG1 3.35Å; E559-T562 PolarHBondContact O-N 2.93Å; L560-T562 VanDerWaalsContact C-N 3.34Å; L560-T562 PolarHBondContact O-N 3.32Å; T562-Q566 WeakPolarHBondContact O-CG 3.36Å; T562-Q566 PolarHBondContact O-NE2 3.16Å
563	G	84.6	Confident	78.8	Confident	10 Å²	10	70.3 Å²	70.3	10%	0.103	38%	0.375	C	S	.	.	H	α-helix	trans	-69.4	-45.6	174.9	0	0	0	0	0	113.6	E559 L560 M561 Q566 Y567	E559-G563 PolarHBondContact O-N 2.85Å; L560-G563 WeakPolarHBondContact O-CA 3.27Å; L560-G563 PolarHBondContact O-N 2.6Å; L560-G563 VanDerWaalsContact O-N 3.1Å; M561-G563 VanDerWaalsContact C-N 3.27Å; M561-G563 PolarHBondContact O-N 3.44Å; G563-Q566 WeakPolarHBondContact O-CB 3.33Å; G563-Q566 PolarHBondContact O-N 3.17Å; G563-Y567 WeakPolarHBondContact O-CD2 3.22Å
564	F	86.9	Confident	79.4	Confident	1 Å²	1	71.9 Å²	71.9	0%	0.004	39%	0.386	C	S	.	.	H	α-helix	trans	-66.9	-38.7	179.8	-61	-51.3	0	0	0	112.5	L560 M561 Q566 Y567 D568 V575 W580 V583 L584 Y612	L560-F564 HydrophobicContact CB-CE2 4.01Å; L560-F564 WeakPolarHBondContact O-CD2 3.38Å; L560-F564 WeakPolarHBondContact O-CG 3.21Å; L560-F564 PolarHBondContact O-N 3.05Å; M561-F564 HydrophobicContact CE-CD2 4.18Å; M561-F564 PolarHBondContact O-N 2.82Å; F564-Q566 PolarHBondContact O-N 2.96Å; F564-Q566 VanDerWaalsContact O-N 3.13Å; F564-Y567 PolarHBondContact O-N 2.9Å; F564-D568 PolarHBondContact O-N 3.04Å; F564-V575 HydrophobicContact CD1-CG2 4.24Å; F564-W580 AromaticContact CE1-CD1 3.56Å; F564-W580 HydrophobicContact CE1-CG 4.27Å; F564-W580 AromaticContact CZ-CD1 3.72Å; F564-V583 HydrophobicContact CD1-CB 3.85Å; F564-V583 HydrophobicContact CD1-CG1 3.65Å; F564-V583 HydrophobicContact CD1-CG2 4.02Å; F564-V583 HydrophobicContact CE1-CB 3.63Å; F564-V583 HydrophobicContact CE1-CG1 3.51Å; F564-V583 HydrophobicContact CE1-CG2 4.29Å; F564-V583 HydrophobicContact CG-CG1 4.21Å; F564-V583 HydrophobicContact CZ-CB 4.47Å; F564-V583 HydrophobicContact CZ-CG1 3.99Å; F564-L584 HydrophobicContact CZ-CD2 4.01Å; F564-Y612 HydrophobicContact CB-CD1 4.1Å; F564-Y612 HydrophobicContact CB-CD2 3.87Å; F564-Y612 HydrophobicContact CB-CE1 4.28Å; F564-Y612 HydrophobicContact CB-CE2 4.09Å; F564-Y612 HydrophobicContact CB-CG 3.89Å; F564-Y612 HydrophobicContact CD1-CG 4.49Å; F564-Y612 AromaticContact CD2-CD2 3.72Å; F564-Y612 HydrophobicContact CD2-CD2 3.72Å; F564-Y612 AromaticContact CD2-CG 3.92Å; F564-Y612 HydrophobicContact CD2-CG 3.92Å; F564-Y612 HydrophobicContact CG-CD1 4.43Å; F564-Y612 AromaticContact CG-CD2 3.99Å; F564-Y612 HydrophobicContact CG-CD2 3.99Å; F564-Y612 AromaticContact CG-CG 3.87Å; F564-Y612 HydrophobicContact CG-CG 3.87Å
565	L	83.7	Confident	80	Confident	75 Å²	75	67.7 Å²	67.7	39%	0.393	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.1	176.8	-70.6	168.1	0	0	0	114.2	M561 Y567 E571	M561-L565 WeakPolarHBondContact O-CB 3.4Å; M561-L565 VanDerWaalsContact O-CG 3.31Å; M561-L565 WeakPolarHBondContact O-CG 3.41Å; M561-L565 PolarHBondContact O-N 2.9Å; M561-L565 VanDerWaalsContact O-N 3.08Å; L565-Y567 VanDerWaalsContact C-N 3.33Å; L565-E571 HydrophobicContact CD2-CG 4.22Å
566	Q	84.3	Confident	80.8	Confident	142 Å²	142	66.5 Å²	66.5	66%	0.664	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-20.1	170.5	-68.3	171.1	23	0	0	112.8	T562 G563 F564	T562-Q566 WeakPolarHBondContact O-CG 3.36Å; T562-Q566 PolarHBondContact O-NE2 3.16Å; G563-Q566 WeakPolarHBondContact O-CB 3.33Å; G563-Q566 PolarHBondContact O-N 3.17Å; F564-Q566 PolarHBondContact O-N 2.96Å; F564-Q566 VanDerWaalsContact O-N 3.13Å
567	Y	81.1	Confident	80.9	Confident	103 Å²	103	65.4 Å²	65.4	40%	0.404	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-21.4	178.2	-65.5	-86.2	0	0	0	112.7	G563 F564 L565 P569 E579 V583	G563-Y567 WeakPolarHBondContact O-CD2 3.22Å; F564-Y567 PolarHBondContact O-N 2.9Å; L565-Y567 VanDerWaalsContact C-N 3.33Å; Y567-P569 WeakPolarHBondContact O-CD 3.44Å; Y567-E579 HydrophobicContact CD1-CB 3.97Å; Y567-E579 HydrophobicContact CD1-CG 3.56Å; Y567-E579 WeakPolarHBondContact CD1-OE1 3.19Å; Y567-E579 HydrophobicContact CE1-CB 4.42Å; Y567-E579 HydrophobicContact CE1-CG 3.93Å; Y567-E579 HydrophobicContact CG-CB 4.05Å; Y567-E579 HydrophobicContact CG-CG 4.14Å; Y567-V583 HydrophobicContact CD2-CG2 3.89Å; Y567-V583 HydrophobicContact CE2-CG2 3.82Å
568	D	82	Confident	80.8	Confident	6 Å²	6	61.2 Å²	61.2	3%	0.032	34%	0.342	C	S	.	.			trans	-113.1	73.2	171.1	-177.2	20.5	0	0	0	111.9	F564 N570 E571 T572 G573 V575 Y612	F564-D568 PolarHBondContact O-N 3.04Å; D568-N570 PolarHBondContact O-N 2.9Å; D568-N570 VanDerWaalsContact O-N 3.17Å; D568-E571 PolarHBondContact O-N 2.92Å; D568-E571 PolarHBondContact OD1-N 2.97Å; D568-T572 VanDerWaalsContact CG-N 3.3Å; D568-T572 PolarHBondContact OD1-N 2.96Å; D568-T572 PolarHBondContact OD1-OG1 2.95Å; D568-T572 PolarHBondContact OD2-N 3.08Å; D568-T572 PolarHBondContact OD2-OG1 2.83Å; D568-G573 PolarHBondContact OD2-N 3.14Å; D568-V575 HydrophobicContact CB-CG1 4.04Å; D568-Y612 HydrophobicContact CB-CE1 4.01Å; D568-Y612 WeakPolarHBondContact OD2-CE1 3.37Å; D568-Y612 PolarHBondContact OD2-OH 2.85Å
569	P	75.1	Confident	81	Confident	105 Å²	105	60.1 Å²	60.1	68%	0.682	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-1.9	179.4	32.4	-38.1	0	0	0	113.8	Y567	Y567-P569 WeakPolarHBondContact O-CD 3.44Å
570	N	77.6	Confident	81.2	Confident	136 Å²	136	55.3 Å²	55.3	73%	0.727	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	2.4	179.6	-68.1	-36.7	0	0	0	112.6	D568 T572	D568-N570 PolarHBondContact O-N 2.9Å; D568-N570 VanDerWaalsContact O-N 3.17Å; N570-T572 HydrophobicContact CB-CG2 3.88Å; N570-T572 PolarHBondContact O-N 3.29Å
571	E	77.9	Confident	80.8	Confident	156 Å²	156	55.7 Å²	55.7	73%	0.729	31%	0.308	S	S	*	.			trans	52.2	36.5	-177	-57.2	-170	164.8	0	0	114	L565 D568 G573	L565-E571 HydrophobicContact CD2-CG 4.22Å; D568-E571 PolarHBondContact O-N 2.92Å; D568-E571 PolarHBondContact OD1-N 2.97Å; E571-G573 PolarHBondContact O-N 2.82Å
572	T	77.3	Confident	80.6	Confident	88 Å²	88	59.4 Å²	59.4	54%	0.54	32%	0.323	S	S	.	.			trans	-69.7	-16.4	178.2	62.6	0	0	0	0	114.1	D568 N570 C574	D568-T572 VanDerWaalsContact CG-N 3.3Å; D568-T572 PolarHBondContact OD1-N 2.96Å; D568-T572 PolarHBondContact OD1-OG1 2.95Å; D568-T572 PolarHBondContact OD2-N 3.08Å; D568-T572 PolarHBondContact OD2-OG1 2.83Å; N570-T572 HydrophobicContact CB-CG2 3.88Å; N570-T572 PolarHBondContact O-N 3.29Å; T572-C574 VanDerWaalsContact C-N 3.27Å; T572-C574 PolarHBondContact OG1-N 3.22Å
573	G	79.3	Confident	80.6	Confident	11 Å²	11	55.5 Å²	55.5	11%	0.113	30%	0.299	C	S	.	.	S	Bend	trans	81	3.8	-175.9	0	0	0	0	0	114.2	D568 E571 E611 Y612	D568-G573 PolarHBondContact OD2-N 3.14Å; E571-G573 PolarHBondContact O-N 2.82Å; G573-E611 WeakPolarHBondContact O-CA 3.28Å; G573-Y612 VanDerWaalsContact C-CD1 3.45Å; G573-Y612 VanDerWaalsContact O-CD1 3.23Å; G573-Y612 WeakPolarHBondContact O-CD1 3.22Å; G573-Y612 WeakPolarHBondContact O-CE1 3.32Å; G573-Y612 PolarHBondContact O-N 2.88Å
574	C	82.3	Confident	80.1	Confident	34 Å²	34	55 Å²	55	23%	0.23	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.4	-172.3	-66.4	0	0	0	0	112.3	T572 V610	T572-C574 VanDerWaalsContact C-N 3.27Å; T572-C574 PolarHBondContact OG1-N 3.22Å; C574-V610 WeakPolarHBondContact CA-O 3.49Å
575	V	85.3	Confident	79.5	Confident	7 Å²	7	60.3 Å²	60.3	4%	0.042	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	162.3	171.6	-68.4	0	0	0	0	110.6	F564 D568 W580 V610 Y612	F564-V575 HydrophobicContact CD1-CG2 4.24Å; D568-V575 HydrophobicContact CB-CG1 4.04Å; V575-W580 HydrophobicContact CG2-CB 3.93Å; V575-V610 HydrophobicContact CG2-CB 4.38Å; V575-V610 PolarHBondContact N-O 2.9Å; V575-V610 WeakPolarHBondContact O-CB 3.31Å; V575-V610 PolarHBondContact O-N 3Å; V575-Y612 HydrophobicContact CB-CD1 4.46Å; V575-Y612 HydrophobicContact CG1-CD1 3.86Å; V575-Y612 HydrophobicContact CG1-CE1 4.14Å; V575-Y612 HydrophobicContact CG2-CD1 4.05Å
576	S	83.5	Confident	79.2	Confident	50 Å²	50	60.5 Å²	60.5	35%	0.35	33%	0.326	S	S	.	.			trans	-70.5	157.3	175.6	78.4	0	0	0	0	112.2	G578 E579 W580	S576-G578 PolarHBondContact O-N 2.77Å; S576-E579 WeakPolarHBondContact CB-OE2 3.27Å; S576-E579 PolarHBondContact N-OE2 3.08Å; S576-E579 PolarHBondContact O-N 3.13Å; S576-E579 WeakPolarHBondContact OG-CG 3.41Å; S576-E579 PolarHBondContact OG-N 3.13Å; S576-E579 PolarHBondContact OG-OE2 2.99Å; S576-W580 WeakPolarHBondContact O-CB 3.38Å; S576-W580 PolarHBondContact O-N 3.42Å
577	V	75.1	Confident	78.7	Confident	33 Å²	33	55.2 Å²	55.2	20%	0.2	30%	0.304	C	S	.	.	H	α-helix	trans	-57.1	-32	175.8	-179.3	0	0	0	0	112.5	A581 R595 R598 V610	V577-A581 PolarHBondContact O-N 3.23Å; V577-R595 HydrophobicContact CG1-CG 4.49Å; V577-R598 VanDerWaalsContact CG2-NH1 3.35Å; V577-V610 HydrophobicContact CB-CG2 4.28Å; V577-V610 HydrophobicContact CG2-CG2 3.66Å
578	G	75.6	Confident	77.7	Confident	17 Å²	17	50.6 Å²	50.6	18%	0.175	29%	0.286	C	S	.	.	H	α-helix	trans	-75.3	-37.9	179.8	0	0	0	0	0	113.3	S576 K582	S576-G578 PolarHBondContact O-N 2.77Å; G578-K582 WeakPolarHBondContact O-CG 3.36Å; G578-K582 PolarHBondContact O-N 3.22Å
579	E	82.2	Confident	76.7	Confident	62 Å²	62	60.6 Å²	60.6	29%	0.29	32%	0.323	S	S	.	.	H	α-helix	trans	-74.6	-42.5	177.2	-66.4	154.5	145.6	0	0	110.8	Y567 S576 A581 K582 V583	Y567-E579 HydrophobicContact CD1-CB 3.97Å; Y567-E579 HydrophobicContact CD1-CG 3.56Å; Y567-E579 WeakPolarHBondContact CD1-OE1 3.19Å; Y567-E579 HydrophobicContact CE1-CB 4.42Å; Y567-E579 HydrophobicContact CE1-CG 3.93Å; Y567-E579 HydrophobicContact CG-CB 4.05Å; Y567-E579 HydrophobicContact CG-CG 4.14Å; S576-E579 WeakPolarHBondContact CB-OE2 3.27Å; S576-E579 PolarHBondContact N-OE2 3.08Å; S576-E579 PolarHBondContact O-N 3.13Å; S576-E579 WeakPolarHBondContact OG-CG 3.41Å; S576-E579 PolarHBondContact OG-N 3.13Å; S576-E579 PolarHBondContact OG-OE2 2.99Å; E579-A581 VanDerWaalsContact C-N 3.32Å; E579-A581 PolarHBondContact O-N 3.07Å; E579-K582 PolarHBondContact O-N 3.38Å; E579-K582 VanDerWaalsContact O-N 3.14Å; E579-V583 WeakPolarHBondContact O-CG2 3.34Å; E579-V583 PolarHBondContact O-N 2.98Å
580	W	83.9	Confident	75.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-53.8	-47.7	174.6	178.2	82.2	0	0	0	112	F564 V575 S576 K582 V583 L584 W594 R598 L601 V602 V610	F564-W580 AromaticContact CE1-CD1 3.56Å; F564-W580 HydrophobicContact CE1-CG 4.27Å; F564-W580 AromaticContact CZ-CD1 3.72Å; V575-W580 HydrophobicContact CG2-CB 3.93Å; S576-W580 WeakPolarHBondContact O-CB 3.38Å; S576-W580 PolarHBondContact O-N 3.42Å; W580-K582 PolarHBondContact O-N 3.33Å; W580-V583 PolarHBondContact O-N 3.28Å; W580-L584 HydrophobicContact CD2-CD1 4.12Å; W580-L584 HydrophobicContact CD2-CG 4.49Å; W580-L584 HydrophobicContact CE3-CD1 4.34Å; W580-L584 HydrophobicContact CH2-CD1 3.7Å; W580-L584 HydrophobicContact CZ2-CD1 3.46Å; W580-L584 VanDerWaalsContact CZ2-CD1 3.46Å; W580-L584 HydrophobicContact CZ3-CD1 4.14Å; W580-L584 WeakPolarHBondContact O-CG 3.46Å; W580-L584 PolarHBondContact O-N 2.78Å; W580-W594 HydrophobicContact CZ3-CB 4.26Å; W580-W594 WeakPolarHBondContact CZ3-O 3.43Å; W580-R598 HydrophobicContact CH2-CB 4.03Å; W580-R598 HydrophobicContact CH2-CG 4.44Å; W580-R598 HydrophobicContact CZ3-CB 3.82Å; W580-R598 HydrophobicContact CZ3-CG 4.23Å; W580-L601 HydrophobicContact CH2-CB 4.35Å; W580-L601 HydrophobicContact CH2-CD1 4.41Å; W580-L601 HydrophobicContact CZ2-CB 4.25Å; W580-V602 HydrophobicContact CH2-CG1 4.19Å; W580-V602 HydrophobicContact CZ2-CB 3.98Å; W580-V602 HydrophobicContact CZ2-CG1 3.66Å; W580-V610 HydrophobicContact CB-CB 4.38Å; W580-V610 HydrophobicContact CB-CG1 4.31Å; W580-V610 HydrophobicContact CB-CG2 4.38Å; W580-V610 HydrophobicContact CD2-CG1 4.15Å; W580-V610 HydrophobicContact CG-CB 4.36Å; W580-V610 HydrophobicContact CG-CG1 3.78Å; W580-V610 HydrophobicContact CG-CG2 4.5Å
581	A	72.7	Confident	73.8	Confident	7 Å²	7	59.8 Å²	59.8	6%	0.058	31%	0.313	C	S	.	.	H	α-helix	trans	-60.9	-45.5	176.9	0	0	0	0	0	112.4	V577 E579 V583 L584 E585 W594 R595	V577-A581 PolarHBondContact O-N 3.23Å; E579-A581 VanDerWaalsContact C-N 3.32Å; E579-A581 PolarHBondContact O-N 3.07Å; A581-V583 VanDerWaalsContact C-N 3.35Å; A581-V583 PolarHBondContact O-N 3.16Å; A581-L584 PolarHBondContact O-N 3Å; A581-E585 WeakPolarHBondContact O-CB 3.32Å; A581-E585 PolarHBondContact O-N 3.1Å; A581-W594 HydrophobicContact CB-CB 4Å; A581-R595 HydrophobicContact CB-CG 4.11Å
582	K	79.1	Confident	72.2	Confident	119 Å²	119	55.5 Å²	55.5	52%	0.517	30%	0.295	S	S	.	.	H	α-helix	trans	-62	-38.5	177.6	-72.3	172.3	177.6	-178.5	0	112.6	G578 E579 W580 S586	G578-K582 WeakPolarHBondContact O-CG 3.36Å; G578-K582 PolarHBondContact O-N 3.22Å; E579-K582 PolarHBondContact O-N 3.38Å; E579-K582 VanDerWaalsContact O-N 3.14Å; W580-K582 PolarHBondContact O-N 3.33Å; K582-S586 VanDerWaalsContact O-CB 3.29Å; K582-S586 WeakPolarHBondContact O-CB 3.42Å; K582-S586 PolarHBondContact O-N 2.96Å; K582-S586 PolarHBondContact O-OG 2.78Å
583	V	83.8	Confident	70.8	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-68.3	-41.1	176.5	173.2	0	0	0	0	111.2	L560 F564 Y567 E579 W580 A581 S586 V587	L560-V583 HydrophobicContact CD2-CG1 4.17Å; F564-V583 HydrophobicContact CD1-CB 3.85Å; F564-V583 HydrophobicContact CD1-CG1 3.65Å; F564-V583 HydrophobicContact CD1-CG2 4.02Å; F564-V583 HydrophobicContact CE1-CB 3.63Å; F564-V583 HydrophobicContact CE1-CG1 3.51Å; F564-V583 HydrophobicContact CE1-CG2 4.29Å; F564-V583 HydrophobicContact CG-CG1 4.21Å; F564-V583 HydrophobicContact CZ-CB 4.47Å; F564-V583 HydrophobicContact CZ-CG1 3.99Å; Y567-V583 HydrophobicContact CD2-CG2 3.89Å; Y567-V583 HydrophobicContact CE2-CG2 3.82Å; E579-V583 WeakPolarHBondContact O-CG2 3.34Å; E579-V583 PolarHBondContact O-N 2.98Å; W580-V583 PolarHBondContact O-N 3.28Å; A581-V583 VanDerWaalsContact C-N 3.35Å; A581-V583 PolarHBondContact O-N 3.16Å; V583-S586 PolarHBondContact O-OG 3.39Å; V583-V587 WeakPolarHBondContact O-CB 3.48Å; V583-V587 WeakPolarHBondContact O-CG2 3.45Å; V583-V587 PolarHBondContact O-N 3.24Å
584	L	73.3	Confident	69.8	Low	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.6	-45.7	175.8	-68	-166.4	0	0	0	112.2	L553 L560 F564 W580 A581 L588 W594	L553-L584 HydrophobicContact CD2-CD1 4.32Å; L553-L584 HydrophobicContact CD2-CD2 3.48Å; L553-L584 VanDerWaalsContact CD2-CD2 3.48Å; L560-L584 HydrophobicContact CD1-CD2 4.32Å; L560-L584 HydrophobicContact CD2-CD2 3.67Å; F564-L584 HydrophobicContact CZ-CD2 4.01Å; W580-L584 HydrophobicContact CD2-CD1 4.12Å; W580-L584 HydrophobicContact CD2-CG 4.49Å; W580-L584 HydrophobicContact CE3-CD1 4.34Å; W580-L584 HydrophobicContact CH2-CD1 3.7Å; W580-L584 HydrophobicContact CZ2-CD1 3.46Å; W580-L584 VanDerWaalsContact CZ2-CD1 3.46Å; W580-L584 HydrophobicContact CZ3-CD1 4.14Å; W580-L584 WeakPolarHBondContact O-CG 3.46Å; W580-L584 PolarHBondContact O-N 2.78Å; A581-L584 PolarHBondContact O-N 3Å; L584-L588 HydrophobicContact CD2-CD1 4.33Å; L584-L588 WeakPolarHBondContact O-CB 3.4Å; L584-L588 WeakPolarHBondContact O-CG 3.36Å; L584-L588 PolarHBondContact O-N 3.35Å; L584-W594 HydrophobicContact CB-CD2 3.84Å; L584-W594 HydrophobicContact CB-CE3 4.06Å; L584-W594 HydrophobicContact CB-CG 4.25Å; L584-W594 HydrophobicContact CB-CH2 4.38Å; L584-W594 HydrophobicContact CB-CZ2 4.18Å; L584-W594 HydrophobicContact CB-CZ3 4.33Å; L584-W594 HydrophobicContact CD1-CD2 3.97Å; L584-W594 HydrophobicContact CD1-CE3 3.43Å; L584-W594 VanDerWaalsContact CD1-CE3 3.43Å; L584-W594 HydrophobicContact CD1-CZ3 3.8Å; L584-W594 HydrophobicContact CG-CE3 4.4Å
585	E	74.1	Confident	68.7	Low	113 Å²	113	60.6 Å²	60.6	53%	0.528	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-50.8	179.8	-173.2	-176.7	172.2	0	0	111.8	A581 V587 R589	A581-E585 WeakPolarHBondContact O-CB 3.32Å; A581-E585 PolarHBondContact O-N 3.1Å; E585-V587 PolarHBondContact O-N 2.55Å; E585-R589 VanDerWaalsContact O-CA 3.31Å; E585-R589 WeakPolarHBondContact O-CA 3.22Å; E585-R589 PolarHBondContact O-N 2.73Å
586	S	77.4	Confident	66.9	Low	78 Å²	78	65.2 Å²	65.2	55%	0.545	33%	0.334	S	S	.	.	H	α-helix	trans	-66.9	-37.6	-176	53.7	0	0	0	0	113.4	K582 V583	K582-S586 VanDerWaalsContact O-CB 3.29Å; K582-S586 WeakPolarHBondContact O-CB 3.42Å; K582-S586 PolarHBondContact O-N 2.96Å; K582-S586 PolarHBondContact O-OG 2.78Å; V583-S586 PolarHBondContact O-OG 3.39Å
587	V	74.3	Confident	65.2	Low	32 Å²	32	64.7 Å²	64.7	19%	0.194	33%	0.328	C	S	.	.	H	α-helix	trans	-81.5	-52.1	178.6	175.7	0	0	0	0	112.2	H556 E559 L560 V583 E585	H556-V587 HydrophobicContact CB-CG1 4.2Å; E559-V587 HydrophobicContact CB-CG1 3.68Å; L560-V587 HydrophobicContact CD2-CB 3.72Å; L560-V587 HydrophobicContact CD2-CG1 3.77Å; L560-V587 HydrophobicContact CD2-CG2 4.13Å; L560-V587 HydrophobicContact CG-CB 4.49Å; L560-V587 HydrophobicContact CG-CG1 4Å; V583-V587 WeakPolarHBondContact O-CB 3.48Å; V583-V587 WeakPolarHBondContact O-CG2 3.45Å; V583-V587 PolarHBondContact O-N 3.24Å; E585-V587 PolarHBondContact O-N 2.55Å
588	L	59.3	Low	64.9	Low	5 Å²	5	66.5 Å²	66.5	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-80	-19.7	-172.6	-60.9	176	0	0	0	113.4	K552 L553 H556 L560 L584 L590 W594	K552-L588 HydrophobicContact CD-CD2 4.41Å; K552-L588 HydrophobicContact CG-CD2 4.28Å; K552-L588 PolarHBondContact NZ-O 2.91Å; L553-L588 HydrophobicContact CD2-CD1 3.78Å; L553-L588 HydrophobicContact CG-CD1 4.18Å; H556-L588 HydrophobicContact CB-CD2 3.76Å; L560-L588 HydrophobicContact CD1-CD2 4.47Å; L560-L588 HydrophobicContact CD2-CG 4.49Å; L584-L588 HydrophobicContact CD2-CD1 4.33Å; L584-L588 WeakPolarHBondContact O-CB 3.4Å; L584-L588 WeakPolarHBondContact O-CG 3.36Å; L584-L588 PolarHBondContact O-N 3.35Å; L588-L590 VanDerWaalsContact C-N 3.28Å; L588-L590 PolarHBondContact O-N 2.77Å; L588-W594 HydrophobicContact CB-CH2 4.45Å; L588-W594 HydrophobicContact CB-CZ2 4.36Å; L588-W594 HydrophobicContact CD1-CH2 3.5Å; L588-W594 VanDerWaalsContact CD1-CH2 3.5Å; L588-W594 HydrophobicContact CD1-CZ2 4.11Å; L588-W594 HydrophobicContact CD1-CZ3 4.22Å
589	R	62.3	Low	63.9	Low	216 Å²	216	69.9 Å²	69.9	82%	0.815	35%	0.35	S	S	*	.			trans	48.6	48.4	-178.2	-56.3	-175	-176	-170	1.2	112.6	E585	E585-R589 VanDerWaalsContact O-CA 3.31Å; E585-R589 WeakPolarHBondContact O-CA 3.22Å; E585-R589 PolarHBondContact O-N 2.73Å
590	L	47.2	Very low	62.8	Low	56 Å²	56	70.5 Å²	70.5	29%	0.293	35%	0.352	S	S	.	.			trans	-116.6	123.5	171.8	-63.8	176.6	0	0	0	108.7	L549 K552 L588 L592 W594	L549-L590 HydrophobicContact CD1-CD1 3.95Å; K552-L590 HydrophobicContact CD-CD1 3.88Å; L588-L590 VanDerWaalsContact C-N 3.28Å; L588-L590 PolarHBondContact O-N 2.77Å; L590-L592 HydrophobicContact CB-CD1 3.85Å; L590-L592 HydrophobicContact CB-CG 4.04Å; L590-L592 HydrophobicContact CD1-CD1 4Å; L590-L592 PolarHBondContact O-N 2.65Å; L590-L592 VanDerWaalsContact O-N 3.13Å; L590-W594 HydrophobicContact CB-CH2 4.47Å; L590-W594 HydrophobicContact CB-CZ2 3.96Å; L590-W594 HydrophobicContact CD1-CH2 4.48Å; L590-W594 PolarHBondContact O-NE1 3.01Å
591	D	44	Very low	61.9	Low	168 Å²	168	70.7 Å²	70.7	90%	0.898	35%	0.353	S	S	*	.			trans	-72.7	95.2	170.5	-177.5	11.4	0	0	0	108.7
592	L	44.4	Very low	62	Low	67 Å²	67	70.9 Å²	70.9	35%	0.351	35%	0.354	S	S	.	.			trans	-147.5	145.5	-174	-71.8	177.1	0	0	0	110.2	L549 L590 W594 L597	L549-L592 HydrophobicContact CD1-CD1 3.94Å; L549-L592 HydrophobicContact CD2-CD1 4.32Å; L590-L592 HydrophobicContact CB-CD1 3.85Å; L590-L592 HydrophobicContact CB-CG 4.04Å; L590-L592 HydrophobicContact CD1-CD1 4Å; L590-L592 PolarHBondContact O-N 2.65Å; L590-L592 VanDerWaalsContact O-N 3.13Å; L592-W594 HydrophobicContact CB-CD2 4.32Å; L592-W594 HydrophobicContact CB-CZ2 4.27Å; L592-W594 HydrophobicContact CD1-CH2 3.96Å; L592-W594 HydrophobicContact CD1-CZ2 4.16Å; L592-W594 HydrophobicContact CD1-CZ3 4.35Å; L592-W594 PolarHBondContact O-N 3.27Å; L592-L597 HydrophobicContact CB-CD1 4.22Å; L592-L597 HydrophobicContact CD1-CD1 4.46Å
593	P	48.2	Very low	62	Low	82 Å²	82	70.7 Å²	70.7	53%	0.532	35%	0.354	S	S	.	.			trans	-76.7	71.2	178.1	32.6	-36.3	0	0	0	111.2	R595 T596 L597	P593-R595 VanDerWaalsContact C-N 3.29Å; P593-R595 PolarHBondContact O-N 3.48Å; P593-T596 WeakPolarHBondContact O-CB 3.48Å; P593-T596 PolarHBondContact O-N 3.32Å; P593-L597 PolarHBondContact O-N 3.03Å; P593-L597 VanDerWaalsContact O-N 3.17Å
594	W	56.9	Low	61.7	Low	8 Å²	8	74.2 Å²	74.2	3%	0.03	37%	0.373	C	S	.	.	H	α-helix	trans	-50.9	-44.5	-173.6	-63.6	110.6	0	0	0	113.3	L549 W580 A581 L584 L588 L590 L592 T596 L597 R598 L601	L549-W594 HydrophobicContact CD1-CH2 3.8Å; L549-W594 HydrophobicContact CD1-CZ3 3.92Å; L549-W594 HydrophobicContact CD2-CZ3 4.05Å; L549-W594 HydrophobicContact CG-CZ3 4.25Å; W580-W594 HydrophobicContact CZ3-CB 4.26Å; W580-W594 WeakPolarHBondContact CZ3-O 3.43Å; A581-W594 HydrophobicContact CB-CB 4Å; L584-W594 HydrophobicContact CB-CD2 3.84Å; L584-W594 HydrophobicContact CB-CE3 4.06Å; L584-W594 HydrophobicContact CB-CG 4.25Å; L584-W594 HydrophobicContact CB-CH2 4.38Å; L584-W594 HydrophobicContact CB-CZ2 4.18Å; L584-W594 HydrophobicContact CB-CZ3 4.33Å; L584-W594 HydrophobicContact CD1-CD2 3.97Å; L584-W594 HydrophobicContact CD1-CE3 3.43Å; L584-W594 VanDerWaalsContact CD1-CE3 3.43Å; L584-W594 HydrophobicContact CD1-CZ3 3.8Å; L584-W594 HydrophobicContact CG-CE3 4.4Å; L588-W594 HydrophobicContact CB-CH2 4.45Å; L588-W594 HydrophobicContact CB-CZ2 4.36Å; L588-W594 HydrophobicContact CD1-CH2 3.5Å; L588-W594 VanDerWaalsContact CD1-CH2 3.5Å; L588-W594 HydrophobicContact CD1-CZ2 4.11Å; L588-W594 HydrophobicContact CD1-CZ3 4.22Å; L590-W594 HydrophobicContact CB-CH2 4.47Å; L590-W594 HydrophobicContact CB-CZ2 3.96Å; L590-W594 HydrophobicContact CD1-CH2 4.48Å; L590-W594 PolarHBondContact O-NE1 3.01Å; L592-W594 HydrophobicContact CB-CD2 4.32Å; L592-W594 HydrophobicContact CB-CZ2 4.27Å; L592-W594 HydrophobicContact CD1-CH2 3.96Å; L592-W594 HydrophobicContact CD1-CZ2 4.16Å; L592-W594 HydrophobicContact CD1-CZ3 4.35Å; L592-W594 PolarHBondContact O-N 3.27Å; W594-T596 PolarHBondContact O-N 2.89Å; W594-L597 HydrophobicContact CE3-CD1 4.49Å; W594-L597 PolarHBondContact O-N 3.23Å; W594-R598 PolarHBondContact O-N 3.16Å; W594-L601 HydrophobicContact CE3-CD1 4.43Å; W594-L601 HydrophobicContact CZ3-CD1 4.42Å
595	R	59.8	Low	62	Low	150 Å²	150	74.8 Å²	74.8	57%	0.566	38%	0.378	S	S	*	.	H	α-helix	trans	-54.2	-35.8	178.3	-61.1	176.2	-175.5	-109.6	5.7	112.8	V577 A581 P593 R598	V577-R595 HydrophobicContact CG1-CG 4.49Å; A581-R595 HydrophobicContact CB-CG 4.11Å; P593-R595 VanDerWaalsContact C-N 3.29Å; P593-R595 PolarHBondContact O-N 3.48Å; R595-R598 VanDerWaalsContact O-CB 3.29Å; R595-R598 WeakPolarHBondContact O-CB 3.47Å
596	T	47	Very low	61.8	Low	103 Å²	103	76.2 Å²	76.2	63%	0.632	40%	0.397	S	S	*	.	H	α-helix	trans	-82.8	-28.3	179.3	-44.7	0	0	0	0	112.2	P593 W594 P599	P593-T596 WeakPolarHBondContact O-CB 3.48Å; P593-T596 PolarHBondContact O-N 3.32Å; W594-T596 PolarHBondContact O-N 2.89Å; T596-P599 WeakPolarHBondContact O-CD 3.33Å
597	L	49.2	Very low	61.6	Low	40 Å²	40	78.1 Å²	78.1	21%	0.209	40%	0.401	C	S	.	.	H	α-helix	trans	-80	-22.6	176.1	-63.4	173.6	0	0	0	113.3	L549 L592 P593 W594 H600 L601	L549-L597 HydrophobicContact CD2-CD1 4.04Å; L592-L597 HydrophobicContact CB-CD1 4.22Å; L592-L597 HydrophobicContact CD1-CD1 4.46Å; P593-L597 PolarHBondContact O-N 3.03Å; P593-L597 VanDerWaalsContact O-N 3.17Å; W594-L597 HydrophobicContact CE3-CD1 4.49Å; W594-L597 PolarHBondContact O-N 3.23Å; L597-H600 PolarHBondContact O-N 3.31Å; L597-L601 HydrophobicContact CB-CD1 3.71Å; L597-L601 HydrophobicContact CB-CG 4.43Å
598	R	67.6	Low	61.3	Low	71 Å²	71	78.4 Å²	78.4	27%	0.268	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-29.9	-60.4	175.1	-176.7	-174.6	69.9	143.3	-1.8	115.4	V577 W580 W594 R595 H600 L601 V602 L604	V577-R598 VanDerWaalsContact CG2-NH1 3.35Å; W580-R598 HydrophobicContact CH2-CB 4.03Å; W580-R598 HydrophobicContact CH2-CG 4.44Å; W580-R598 HydrophobicContact CZ3-CB 3.82Å; W580-R598 HydrophobicContact CZ3-CG 4.23Å; W594-R598 PolarHBondContact O-N 3.16Å; R595-R598 VanDerWaalsContact O-CB 3.29Å; R595-R598 WeakPolarHBondContact O-CB 3.47Å; R598-H600 PolarHBondContact O-N 3.02Å; R598-L601 PolarHBondContact O-N 3.34Å; R598-V602 HydrophobicContact CG-CG1 3.71Å; R598-V602 PolarHBondContact O-N 3.29Å; R598-V602 VanDerWaalsContact O-N 3.08Å; R598-L604 HydrophobicContact CG-CD2 4.49Å
599	P	54.7	Low	62.2	Low	88 Å²	88	79.6 Å²	79.6	57%	0.571	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-63.4	-8.2	-175.6	27	-37.3	0	0	0	115.5	T596	T596-P599 WeakPolarHBondContact O-CD 3.33Å
600	H	58.8	Low	63.1	Low	75 Å²	75	69.3 Å²	69.3	35%	0.347	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-109.1	-3.1	176.4	-54.9	107.2	0	0	0	113.3	L546 K550 L597 R598	L546-H600 HydrophobicContact CD1-CB 3.99Å; L546-H600 HydrophobicContact CD2-CB 3.91Å; K550-H600 WeakPolarHBondContact CE-O 3.36Å; L597-H600 PolarHBondContact O-N 3.31Å; R598-H600 PolarHBondContact O-N 3.02Å
601	L	66.1	Low	64.9	Low	3 Å²	3	70 Å²	70	2%	0.016	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-18.9	-171.5	-65.1	179.4	0	0	0	114.6	L546 L549 K550 L553 W580 W594 L597 R598 C615	L546-L601 HydrophobicContact CD2-CD2 4.05Å; L546-L601 HydrophobicContact CD2-CG 4.48Å; L549-L601 HydrophobicContact CD2-CD1 3.83Å; L549-L601 HydrophobicContact CD2-CD2 4.23Å; K550-L601 HydrophobicContact CG-CD2 4.08Å; L553-L601 HydrophobicContact CD1-CD2 4.08Å; W580-L601 HydrophobicContact CH2-CB 4.35Å; W580-L601 HydrophobicContact CH2-CD1 4.41Å; W580-L601 HydrophobicContact CZ2-CB 4.25Å; W594-L601 HydrophobicContact CE3-CD1 4.43Å; W594-L601 HydrophobicContact CZ3-CD1 4.42Å; L597-L601 HydrophobicContact CB-CD1 3.71Å; L597-L601 HydrophobicContact CB-CG 4.43Å; R598-L601 PolarHBondContact O-N 3.34Å; L601-C615 WeakPolarHBondContact O-CA 3.5Å; L601-C615 PolarHBondContact O-SG 2.89Å
602	V	74.1	Confident	66.6	Low	11 Å²	11	62.3 Å²	62.3	7%	0.067	34%	0.34	C	S	.	.			trans	-157.1	150.6	-173.7	74.1	0	0	0	0	111.7	W580 R598 V610 E611 S614 C615	W580-V602 HydrophobicContact CH2-CG1 4.19Å; W580-V602 HydrophobicContact CZ2-CB 3.98Å; W580-V602 HydrophobicContact CZ2-CG1 3.66Å; R598-V602 HydrophobicContact CG-CG1 3.71Å; R598-V602 PolarHBondContact O-N 3.29Å; R598-V602 VanDerWaalsContact O-N 3.08Å; V602-V610 HydrophobicContact CB-CG1 4.04Å; V602-V610 HydrophobicContact CG1-CG1 3.49Å; V602-V610 VanDerWaalsContact CG1-CG1 3.49Å; V602-V610 HydrophobicContact CG2-CG1 3.38Å; V602-E611 WeakPolarHBondContact CG2-O 3.36Å; V602-S614 WeakPolarHBondContact CG2-OG 3.39Å; V602-C615 WeakPolarHBondContact CG2-SG 3.48Å
603	H	80.3	Confident	68.2	Low	115 Å²	115	64.2 Å²	64.2	53%	0.532	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	161.9	171.6	-66.5	-38.2	0	0	0	112.2	E611 S614	H603-E611 PolarHBondContact O-N 3.02Å; H603-S614 PolarHBondContact N-OG 2.89Å
604	L	77.9	Confident	69.6	Low	78 Å²	78	60.7 Å²	60.7	41%	0.408	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.2	178.5	-64.3	175.9	0	0	0	109.4	R598 S609 V610	R598-L604 HydrophobicContact CG-CD2 4.49Å; L604-S609 CarbonylContact C-O 3.58Å; L604-S609 VanDerWaalsContact CA-O 3.27Å; L604-S609 WeakPolarHBondContact CA-O 3.25Å; L604-S609 WeakPolarHBondContact CD2-O 3.24Å; L604-V610 HydrophobicContact CD2-CG2 3.93Å
605	A	77.8	Confident	70.3	Confident	12 Å²	12	60.6 Å²	60.6	10%	0.099	33%	0.325	C	S	.	.			trans	-68.5	162.2	171	0	0	0	0	0	110.7	D607 G608 S609 E611	A605-D607 VanDerWaalsContact CB-OD1 3.22Å; A605-D607 WeakPolarHBondContact CB-OD1 3.39Å; A605-D607 PolarHBondContact O-N 3.37Å; A605-G608 PolarHBondContact O-N 2.98Å; A605-S609 PolarHBondContact N-O 3.16Å; A605-E611 WeakPolarHBondContact CA-OE1 3.26Å; A605-E611 HydrophobicContact CB-CG 3.97Å
606	P	71.1	Confident	71	Confident	143 Å²	143	54 Å²	54	93%	0.929	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.9	-174.8	-25.6	36	0	0	0	116
607	D	73.9	Confident	71.7	Confident	117 Å²	117	55.7 Å²	55.7	63%	0.626	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-11.3	174.6	69	-26.5	0	0	0	113.5	A605 S609	A605-D607 VanDerWaalsContact CB-OD1 3.22Å; A605-D607 WeakPolarHBondContact CB-OD1 3.39Å; A605-D607 PolarHBondContact O-N 3.37Å; D607-S609 VanDerWaalsContact CG-OG 3.31Å; D607-S609 VanDerWaalsContact OD1-CB 3.27Å; D607-S609 WeakPolarHBondContact OD1-CB 3.26Å; D607-S609 PolarHBondContact OD1-N 3.46Å; D607-S609 PolarHBondContact OD1-OG 3.46Å; D607-S609 VanDerWaalsContact OD2-CB 3.28Å; D607-S609 WeakPolarHBondContact OD2-CB 3.46Å; D607-S609 PolarHBondContact OD2-OG 3.07Å
608	G	66.9	Low	72	Confident	38 Å²	38	57.1 Å²	57.1	39%	0.392	31%	0.309	S	S	.	.	S	Bend	trans	94.9	1.1	-173.8	0	0	0	0	0	115.3	A605	A605-G608 PolarHBondContact O-N 2.98Å
609	S	78.4	Confident	71.2	Confident	30 Å²	30	57.5 Å²	57.5	21%	0.21	32%	0.319	C	S	.	.			trans	-71.3	161.9	172.9	-65	0	0	0	0	111.8	L604 A605 D607	L604-S609 CarbonylContact C-O 3.58Å; L604-S609 VanDerWaalsContact CA-O 3.27Å; L604-S609 WeakPolarHBondContact CA-O 3.25Å; L604-S609 WeakPolarHBondContact CD2-O 3.24Å; A605-S609 PolarHBondContact N-O 3.16Å; D607-S609 VanDerWaalsContact CG-OG 3.31Å; D607-S609 VanDerWaalsContact OD1-CB 3.27Å; D607-S609 WeakPolarHBondContact OD1-CB 3.26Å; D607-S609 PolarHBondContact OD1-N 3.46Å; D607-S609 PolarHBondContact OD1-OG 3.46Å; D607-S609 VanDerWaalsContact OD2-CB 3.28Å; D607-S609 WeakPolarHBondContact OD2-CB 3.46Å; D607-S609 PolarHBondContact OD2-OG 3.07Å
610	V	81.8	Confident	70.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.2	-175.6	-177.6	0	0	0	0	110.8	C574 V575 V577 W580 V602 L604 Y612	C574-V610 WeakPolarHBondContact CA-O 3.49Å; V575-V610 HydrophobicContact CG2-CB 4.38Å; V575-V610 PolarHBondContact N-O 2.9Å; V575-V610 WeakPolarHBondContact O-CB 3.31Å; V575-V610 PolarHBondContact O-N 3Å; V577-V610 HydrophobicContact CB-CG2 4.28Å; V577-V610 HydrophobicContact CG2-CG2 3.66Å; W580-V610 HydrophobicContact CB-CB 4.38Å; W580-V610 HydrophobicContact CB-CG1 4.31Å; W580-V610 HydrophobicContact CB-CG2 4.38Å; W580-V610 HydrophobicContact CD2-CG1 4.15Å; W580-V610 HydrophobicContact CG-CB 4.36Å; W580-V610 HydrophobicContact CG-CG1 3.78Å; W580-V610 HydrophobicContact CG-CG2 4.5Å; V602-V610 HydrophobicContact CB-CG1 4.04Å; V602-V610 HydrophobicContact CG1-CG1 3.49Å; V602-V610 VanDerWaalsContact CG1-CG1 3.49Å; V602-V610 HydrophobicContact CG2-CG1 3.38Å; L604-V610 HydrophobicContact CD2-CG2 3.93Å; V610-Y612 PolarHBondContact O-N 2.87Å
611	E	84.3	Confident	69.5	Low	71 Å²	71	59.3 Å²	59.3	33%	0.332	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	83.1	176.6	-67.5	178.2	-176	0	0	110	G573 V602 H603 A605 Q613 S614	G573-E611 WeakPolarHBondContact O-CA 3.28Å; V602-E611 WeakPolarHBondContact CG2-O 3.36Å; H603-E611 PolarHBondContact O-N 3.02Å; A605-E611 WeakPolarHBondContact CA-OE1 3.26Å; A605-E611 HydrophobicContact CB-CG 3.97Å; E611-Q613 PolarHBondContact O-N 2.7Å; E611-S614 WeakPolarHBondContact O-CB 3.44Å; E611-S614 PolarHBondContact O-N 3.43Å; E611-S614 PolarHBondContact O-OG 3.47Å
612	Y	80.4	Confident	68.3	Low	6 Å²	6	62.6 Å²	62.6	2%	0.024	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.8	-164.8	63.3	-105.2	0	0	0	114.8	M561 F564 D568 G573 V575 V610	M561-Y612 HydrophobicContact CE-CD2 3.43Å; M561-Y612 VanDerWaalsContact CE-CD2 3.43Å; M561-Y612 HydrophobicContact CE-CE2 3.42Å; M561-Y612 VanDerWaalsContact CE-CE2 3.42Å; F564-Y612 HydrophobicContact CB-CD1 4.1Å; F564-Y612 HydrophobicContact CB-CD2 3.87Å; F564-Y612 HydrophobicContact CB-CE1 4.28Å; F564-Y612 HydrophobicContact CB-CE2 4.09Å; F564-Y612 HydrophobicContact CB-CG 3.89Å; F564-Y612 HydrophobicContact CD1-CG 4.49Å; F564-Y612 AromaticContact CD2-CD2 3.72Å; F564-Y612 HydrophobicContact CD2-CD2 3.72Å; F564-Y612 AromaticContact CD2-CG 3.92Å; F564-Y612 HydrophobicContact CD2-CG 3.92Å; F564-Y612 HydrophobicContact CG-CD1 4.43Å; F564-Y612 AromaticContact CG-CD2 3.99Å; F564-Y612 HydrophobicContact CG-CD2 3.99Å; F564-Y612 AromaticContact CG-CG 3.87Å; F564-Y612 HydrophobicContact CG-CG 3.87Å; D568-Y612 HydrophobicContact CB-CE1 4.01Å; D568-Y612 WeakPolarHBondContact OD2-CE1 3.37Å; D568-Y612 PolarHBondContact OD2-OH 2.85Å; G573-Y612 VanDerWaalsContact C-CD1 3.45Å; G573-Y612 VanDerWaalsContact O-CD1 3.23Å; G573-Y612 WeakPolarHBondContact O-CD1 3.22Å; G573-Y612 WeakPolarHBondContact O-CE1 3.32Å; G573-Y612 PolarHBondContact O-N 2.88Å; V575-Y612 HydrophobicContact CB-CD1 4.46Å; V575-Y612 HydrophobicContact CG1-CD1 3.86Å; V575-Y612 HydrophobicContact CG1-CE1 4.14Å; V575-Y612 HydrophobicContact CG2-CD1 4.05Å; V610-Y612 PolarHBondContact O-N 2.87Å
613	Q	77.3	Confident	66.5	Low	107 Å²	107	65.5 Å²	65.5	50%	0.5	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-29.8	174.1	-56.1	-163.1	34.1	0	0	112.5	E611 C615 F616	E611-Q613 PolarHBondContact O-N 2.7Å; Q613-C615 PolarHBondContact O-N 3.49Å; Q613-C615 VanDerWaalsContact O-N 3.14Å; Q613-F616 WeakPolarHBondContact O-CD2 3.1Å; Q613-F616 PolarHBondContact O-N 3.3Å; Q613-F616 VanDerWaalsContact O-N 3.11Å
614	S	77.7	Confident	64.4	Low	9 Å²	9	66 Å²	66	6%	0.063	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-65.6	-15.9	-179.6	65.9	0	0	0	0	114.2	V602 H603 E611 F616 E617	V602-S614 WeakPolarHBondContact CG2-OG 3.39Å; H603-S614 PolarHBondContact N-OG 2.89Å; E611-S614 WeakPolarHBondContact O-CB 3.44Å; E611-S614 PolarHBondContact O-N 3.43Å; E611-S614 PolarHBondContact O-OG 3.47Å; S614-F616 PolarHBondContact O-N 2.93Å; S614-E617 VanDerWaalsContact CA-OE2 3.3Å; S614-E617 WeakPolarHBondContact CA-OE2 3.42Å; S614-E617 VanDerWaalsContact CB-OE2 3.29Å; S614-E617 WeakPolarHBondContact CB-OE2 3.47Å; S614-E617 PolarHBondContact O-N 2.94Å
615	C	71.1	Confident	62.4	Low	5 Å²	5	67.6 Å²	67.6	3%	0.034	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-56.7	-15.6	168.8	-73.2	0	0	0	0	114.2	L601 V602 Q613	L601-C615 WeakPolarHBondContact O-CA 3.5Å; L601-C615 PolarHBondContact O-SG 2.89Å; V602-C615 WeakPolarHBondContact CG2-SG 3.48Å; Q613-C615 PolarHBondContact O-N 3.49Å; Q613-C615 VanDerWaalsContact O-N 3.14Å
616	F	74	Confident	60.5	Low	12 Å²	12	72.8 Å²	72.8	5%	0.053	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-118.8	-3	-172.1	-50	-68.9	0	0	0	115.1	R557 L560 M561 Q613 S614 D618	R557-F616 HydrophobicContact CB-CD1 4.06Å; R557-F616 HydrophobicContact CB-CE1 3.73Å; R557-F616 HydrophobicContact CB-CZ 4.28Å; R557-F616 HydrophobicContact CG-CD1 3.81Å; R557-F616 HydrophobicContact CG-CD2 4.32Å; R557-F616 HydrophobicContact CG-CE1 3.67Å; R557-F616 HydrophobicContact CG-CE2 4.21Å; R557-F616 HydrophobicContact CG-CG 4.14Å; R557-F616 HydrophobicContact CG-CZ 3.88Å; L560-F616 HydrophobicContact CB-CZ 4.22Å; L560-F616 HydrophobicContact CD1-CE1 4.23Å; L560-F616 HydrophobicContact CD1-CZ 4.2Å; M561-F616 HydrophobicContact CE-CE2 3.91Å; M561-F616 HydrophobicContact CG-CE2 4.48Å; M561-F616 HydrophobicContact SD-CE2 4.13Å; Q613-F616 WeakPolarHBondContact O-CD2 3.1Å; Q613-F616 PolarHBondContact O-N 3.3Å; Q613-F616 VanDerWaalsContact O-N 3.11Å; S614-F616 PolarHBondContact O-N 2.93Å; F616-D618 PolarHBondContact O-N 2.84Å
617	E	62.8	Low	58.7	Low	139 Å²	139	74.2 Å²	74.2	65%	0.65	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-22.1	-168.7	-67.9	179.6	130.2	0	0	114.4	S614	S614-E617 VanDerWaalsContact CA-OE2 3.3Å; S614-E617 WeakPolarHBondContact CA-OE2 3.42Å; S614-E617 VanDerWaalsContact CB-OE2 3.29Å; S614-E617 WeakPolarHBondContact CB-OE2 3.47Å; S614-E617 PolarHBondContact O-N 2.94Å
618	D	55.1	Low	57.1	Low	69 Å²	69	72.2 Å²	72.2	37%	0.369	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	19.6	-160.8	-162.3	31.8	0	0	0	114.1	K550 F616 G620	K550-D618 IonicContact NZ-OD2 3.45Å; K550-D618 PolarHBondContact NZ-OD2 3.38Å; F616-D618 PolarHBondContact O-N 2.84Å; D618-G620 VanDerWaalsContact C-N 3.27Å; D618-G620 PolarHBondContact O-N 3.01Å
619	V	51.2	Low	55.6	Low	80 Å²	80	74.2 Å²	74.2	49%	0.485	46%	0.46	S	S	.	.			trans	-93.8	44	-176.3	-161.1	0	0	0	0	111.8	F554	F554-V619 HydrophobicContact CB-CG2 4.42Å; F554-V619 HydrophobicContact CD2-CB 4.37Å; F554-V619 HydrophobicContact CD2-CG2 3.77Å; F554-V619 HydrophobicContact CE2-CG2 4.39Å; F554-V619 HydrophobicContact CG-CG2 4.3Å
620	G	40.7	Very low	53.7	Low	51 Å²	51	75.9 Å²	75.9	53%	0.526	47%	0.47	S	S	.	.	S	Bend	trans	-102.2	139.7	173.9	0	0	0	0	0	112.3	D618 G622	D618-G620 VanDerWaalsContact C-N 3.27Å; D618-G620 PolarHBondContact O-N 3.01Å; G620-G622 PolarHBondContact O-N 2.97Å
621	P	35.9	Very low	51.8	Low	150 Å²	150	81.5 Å²	81.5	97%	0.974	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	86.3	-177.2	31.3	-35.4	0	0	0	112.5
622	G	42.4	Very low	49.7	Very low	72 Å²	72	82.2 Å²	82.2	74%	0.742	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	155.3	-5	161.6	0	0	0	0	0	119.8	G620	G620-G622 PolarHBondContact O-N 2.97Å
623	A	34.8	Very low	47.8	Very low	71 Å²	71	84 Å²	84	59%	0.587	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-73.1	136.8	-174.2	0	0	0	0	0	113.7
624	P	36.6	Very low	46	Very low	126 Å²	126	83.5 Å²	83.5	82%	0.818	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-89.6	137.7	171.5	34.2	-32	0	0	0	112.2
625	L	36.7	Very low	44.1	Very low	112 Å²	112	86.5 Å²	86.5	59%	0.586	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-87.2	157.2	-179.7	-69.2	169.9	0	0	0	113.3
626	P	36.5	Very low	42.6	Very low	121 Å²	121	89.5 Å²	89.5	79%	0.786	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-61.8	160.7	176.8	-23	34.8	0	0	0	114.6
627	Q	34.8	Very low	41	Very low	172 Å²	172	97.5 Å²	97.5	80%	0.804	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-96.2	136.7	-179.1	-57.8	-170.6	32.8	0	0	112.7
628	V	39.4	Very low	40	Very low	75 Å²	75	98.5 Å²	98.5	46%	0.455	59%	0.59	S	S	.	*			trans	-106.5	140	-178.8	-176.8	0	0	0	0	111.9	R539	R539-V628 PolarHBondContact NH2-O 3.35Å
629	A	35.4	Very low	39.2	Very low	80 Å²	80	99.7 Å²	99.7	66%	0.661	59%	0.59	S	S	*	*			trans	-73.1	155	-177	0	0	0	0	0	113.8
630	P	39.9	Very low	39.3	Very low	66 Å²	66	102.3 Å²	102.3	43%	0.429	59%	0.591	S	S	.	*	S	Bend	trans	-86.1	-21.9	-157.3	-13.7	31.4	0	0	0	117	T535 L632	T535-P630 HydrophobicContact CG2-CB 4.18Å; P630-L632 PolarHBondContact O-N 2.97Å
631	T	41.8	Very low	39.6	Very low	118 Å²	118	104.6 Å²	104.6	72%	0.724	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-5.9	-153.8	50.3	0	0	0	0	116.7
632	L	40	Very low	40.1	Very low	85 Å²	85	101.4 Å²	101.4	45%	0.445	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.2	-45.6	-174.7	-169.8	58.8	0	0	0	113.2	P630 L636	P630-L632 PolarHBondContact O-N 2.97Å; L632-L636 HydrophobicContact CD1-CD1 4.2Å; L632-L636 HydrophobicContact CG-CD1 3.94Å; L632-L636 WeakPolarHBondContact O-CD1 3.43Å; L632-L636 VanDerWaalsContact O-CG 3.28Å; L632-L636 WeakPolarHBondContact O-CG 3.44Å
633	A	38.9	Very low	40.7	Very low	43 Å²	43	99.4 Å²	99.4	36%	0.355	54%	0.542	S	S	.	.	H	α-helix	trans	-72.1	-34	-170.8	0	0	0	0	0	113.7	L636 F637	A633-L636 PolarHBondContact O-N 2.82Å; A633-F637 PolarHBondContact O-N 3.05Å; A633-F637 VanDerWaalsContact O-N 3.14Å
634	E	40.1	Very low	41.8	Very low	98 Å²	98	99.5 Å²	99.5	46%	0.458	53%	0.53	S	S	.	.	H	α-helix	trans	-71.5	-35.2	-173.2	-65.1	-177.2	160.1	0	0	112.5
635	T	38.8	Very low	42.5	Very low	72 Å²	72	97.8 Å²	97.8	44%	0.442	51%	0.513	S	S	.	.	H	α-helix	trans	-72.4	-43.9	173.9	-49.3	0	0	0	0	111.6	F637 R638	T635-F637 VanDerWaalsContact C-N 3.34Å; T635-F637 PolarHBondContact O-N 3.48Å; T635-R638 PolarHBondContact O-N 3.45Å; T635-R638 VanDerWaalsContact O-N 3.13Å
636	L	38	Very low	43.5	Very low	67 Å²	67	96.1 Å²	96.1	35%	0.351	50%	0.504	S	S	.	.	H	α-helix	trans	-58.7	-43	-180	-70.9	172.9	0	0	0	112.2	L632 A633 R638 R640 L704	L632-L636 HydrophobicContact CD1-CD1 4.2Å; L632-L636 HydrophobicContact CG-CD1 3.94Å; L632-L636 WeakPolarHBondContact O-CD1 3.43Å; L632-L636 VanDerWaalsContact O-CG 3.28Å; L632-L636 WeakPolarHBondContact O-CG 3.44Å; A633-L636 PolarHBondContact O-N 2.82Å; L636-R638 VanDerWaalsContact C-N 3.29Å; L636-R638 PolarHBondContact O-N 2.96Å; L636-R640 WeakPolarHBondContact O-CB 3.23Å; L636-R640 PolarHBondContact O-N 2.94Å; L636-L704 HydrophobicContact CD2-CD1 4.15Å; L636-L704 HydrophobicContact CD2-CD2 3.49Å; L636-L704 VanDerWaalsContact CD2-CD2 3.49Å; L636-L704 HydrophobicContact CD2-CG 4.37Å
637	F	40.9	Very low	44.6	Very low	180 Å²	180	90.6 Å²	90.6	79%	0.789	47%	0.467	S	S	*	.	H	α-helix	trans	-72.8	-15.5	179.2	-94.1	-79.8	0	0	0	114.7	A633 T635	A633-F637 PolarHBondContact O-N 3.05Å; A633-F637 VanDerWaalsContact O-N 3.14Å; T635-F637 VanDerWaalsContact C-N 3.34Å; T635-F637 PolarHBondContact O-N 3.48Å
638	R	41.4	Very low	45.9	Very low	161 Å²	161	86.3 Å²	86.3	61%	0.608	45%	0.45	S	S	*	.	H	α-helix	trans	-84.3	-29.7	-175.4	-162.7	169	83.5	-166.4	5.9	114	T635 L636	T635-R638 PolarHBondContact O-N 3.45Å; T635-R638 VanDerWaalsContact O-N 3.13Å; L636-R638 VanDerWaalsContact C-N 3.29Å; L636-R638 PolarHBondContact O-N 2.96Å
639	Y	39.8	Very low	47	Very low	94 Å²	94	87.6 Å²	87.6	37%	0.369	45%	0.454	S	S	.	.	H	α-helix	trans	-126.8	2.6	-173	-63.5	-65.6	0	0	0	114.8	T641 D642 I643	Y639-T641 VanDerWaalsContact C-N 3.31Å; Y639-T641 PolarHBondContact O-N 3.13Å; Y639-D642 PolarHBondContact O-N 3.29Å; Y639-D642 VanDerWaalsContact O-N 3.08Å; Y639-I643 WeakPolarHBondContact O-CG1 3.43Å; Y639-I643 PolarHBondContact O-N 3.39Å
640	R	53.3	Low	48.5	Very low	135 Å²	135	84.3 Å²	84.3	51%	0.509	43%	0.425	S	S	.	.	H	α-helix	trans	-48.7	-52.6	-178.5	178	174.4	178.7	133.4	5	112	L636 D642 I643 E644	L636-R640 WeakPolarHBondContact O-CB 3.23Å; L636-R640 PolarHBondContact O-N 2.94Å; R640-D642 VanDerWaalsContact C-N 3.28Å; R640-D642 PolarHBondContact O-N 3.08Å; R640-I643 PolarHBondContact O-N 2.89Å; R640-E644 WeakPolarHBondContact CG-OE2 3.47Å; R640-E644 IonicContact CZ-OE2 3.78Å; R640-E644 IonicContact NE-OE2 3.99Å; R640-E644 PolarHBondContact NE-OE2 3.4Å; R640-E644 IonicContact NH2-OE2 2.81Å; R640-E644 WeakPolarHBondContact O-CB 3.33Å; R640-E644 PolarHBondContact O-N 3.1Å
641	T	45.8	Very low	50	Low	98 Å²	98	81.4 Å²	81.4	60%	0.601	41%	0.405	S	S	*	.	H	α-helix	trans	-58.1	-39.4	-177.8	-38.7	0	0	0	0	112.7	Y639 I645	Y639-T641 VanDerWaalsContact C-N 3.31Å; Y639-T641 PolarHBondContact O-N 3.13Å; T641-I645 HydrophobicContact CG2-CD1 4.25Å; T641-I645 WeakPolarHBondContact O-CB 3.49Å; T641-I645 WeakPolarHBondContact O-CD1 3.35Å; T641-I645 WeakPolarHBondContact O-CG1 3.35Å; T641-I645 PolarHBondContact O-N 3.48Å
642	D	46.3	Very low	51.3	Low	83 Å²	83	80.9 Å²	80.9	44%	0.444	39%	0.393	S	S	.	.	H	α-helix	trans	-75.4	-39.6	-176.8	-51.3	-45.5	0	0	0	111.1	Y639 R640 I645 I646	Y639-D642 PolarHBondContact O-N 3.29Å; Y639-D642 VanDerWaalsContact O-N 3.08Å; R640-D642 VanDerWaalsContact C-N 3.28Å; R640-D642 PolarHBondContact O-N 3.08Å; D642-I645 PolarHBondContact O-N 2.73Å; D642-I646 VanDerWaalsContact O-CG1 3.26Å; D642-I646 WeakPolarHBondContact O-CG1 3.45Å; D642-I646 PolarHBondContact O-N 2.76Å
643	I	56.6	Low	52.7	Low	30 Å²	30	82.3 Å²	82.3	15%	0.154	40%	0.401	C	S	.	.	H	α-helix	trans	-68.6	-37.8	175	-61.5	169.1	0	0	0	110.5	Y639 R640 I646 F647 F700 F703 L704	Y639-I643 WeakPolarHBondContact O-CG1 3.43Å; Y639-I643 PolarHBondContact O-N 3.39Å; R640-I643 PolarHBondContact O-N 2.89Å; I643-I646 PolarHBondContact O-N 3.17Å; I643-F647 WeakPolarHBondContact O-CB 3.32Å; I643-F647 PolarHBondContact O-N 3.18Å; I643-F700 HydrophobicContact CG2-CE2 4.04Å; I643-F703 HydrophobicContact CG2-CD1 3.97Å; I643-F703 HydrophobicContact CG2-CE1 4.01Å; I643-L704 HydrophobicContact CG2-CB 4.46Å
644	E	55.8	Low	54	Low	73 Å²	73	86.9 Å²	86.9	34%	0.341	42%	0.415	S	S	.	.	H	α-helix	trans	-65.5	-38.9	174.5	-164.7	165.6	157.8	0	0	110.9	R640 N648 F700	R640-E644 WeakPolarHBondContact CG-OE2 3.47Å; R640-E644 IonicContact CZ-OE2 3.78Å; R640-E644 IonicContact NE-OE2 3.99Å; R640-E644 PolarHBondContact NE-OE2 3.4Å; R640-E644 IonicContact NH2-OE2 2.81Å; R640-E644 WeakPolarHBondContact O-CB 3.33Å; R640-E644 PolarHBondContact O-N 3.1Å; E644-N648 WeakPolarHBondContact O-CB 3.45Å; E644-N648 PolarHBondContact O-N 2.84Å; E644-N648 VanDerWaalsContact O-N 3.09Å; E644-N648 PolarHBondContact O-ND2 2.96Å; E644-F700 HydrophobicContact CB-CE2 4.08Å; E644-F700 HydrophobicContact CB-CZ 3.9Å; E644-F700 HydrophobicContact CG-CE2 4.45Å; E644-F700 HydrophobicContact CG-CZ 4.22Å
645	I	52.6	Low	55.2	Low	90 Å²	90	85.5 Å²	85.5	46%	0.462	42%	0.416	S	S	.	.	H	α-helix	trans	-64.2	-44.9	169.9	-73.7	162.9	0	0	0	111.7	T641 D642 N648 I649	T641-I645 HydrophobicContact CG2-CD1 4.25Å; T641-I645 WeakPolarHBondContact O-CB 3.49Å; T641-I645 WeakPolarHBondContact O-CD1 3.35Å; T641-I645 WeakPolarHBondContact O-CG1 3.35Å; T641-I645 PolarHBondContact O-N 3.48Å; D642-I645 PolarHBondContact O-N 2.73Å; I645-N648 PolarHBondContact O-N 2.77Å; I645-I649 HydrophobicContact CG2-CD1 3.79Å; I645-I649 WeakPolarHBondContact O-CD1 3.49Å; I645-I649 VanDerWaalsContact O-CG1 3.25Å; I645-I649 WeakPolarHBondContact O-CG1 3.44Å; I645-I649 PolarHBondContact O-N 3.15Å
646	I	56.6	Low	56.5	Low	77 Å²	77	83.9 Å²	83.9	40%	0.395	41%	0.414	S	S	.	.	H	α-helix	trans	-66.1	-41.8	179.9	-67.5	163	0	0	0	111	D642 I643 I649 I650 F703	D642-I646 VanDerWaalsContact O-CG1 3.26Å; D642-I646 WeakPolarHBondContact O-CG1 3.45Å; D642-I646 PolarHBondContact O-N 2.76Å; I643-I646 PolarHBondContact O-N 3.17Å; I646-I649 PolarHBondContact O-N 2.99Å; I646-I649 VanDerWaalsContact O-N 3.15Å; I646-I650 HydrophobicContact CG2-CD1 4.03Å; I646-I650 WeakPolarHBondContact O-CG1 3.2Å; I646-I650 PolarHBondContact O-N 3.28Å; I646-F703 HydrophobicContact CG2-CE1 4.25Å; I646-F703 HydrophobicContact CG2-CZ 3.9Å
647	F	61.4	Low	58.3	Low	5 Å²	5	84 Å²	84	2%	0.022	41%	0.414	C	S	.	.	H	α-helix	trans	-58.1	-50.7	175.2	-173.4	-89.9	0	0	0	110.8	I643 I649 I650 D651 G656 I658 F700 F703	I643-F647 WeakPolarHBondContact O-CB 3.32Å; I643-F647 PolarHBondContact O-N 3.18Å; F647-I649 PolarHBondContact O-N 2.79Å; F647-I650 PolarHBondContact O-N 3.35Å; F647-D651 HydrophobicContact CD1-CB 4.33Å; F647-D651 HydrophobicContact CE1-CB 4.17Å; F647-D651 WeakPolarHBondContact O-CB 3.3Å; F647-D651 PolarHBondContact O-N 3.42Å; F647-G656 WeakPolarHBondContact CZ-O 3.42Å; F647-I658 HydrophobicContact CD2-CD1 3.33Å; F647-I658 HydrophobicContact CD2-CG1 3.99Å; F647-I658 HydrophobicContact CE2-CD1 3.46Å; F647-I658 VanDerWaalsContact CE2-CD1 3.46Å; F647-I658 HydrophobicContact CE2-CG1 3.67Å; F647-I658 HydrophobicContact CG-CD1 4.06Å; F647-I658 HydrophobicContact CZ-CD1 4.26Å; F647-I658 HydrophobicContact CZ-CG1 4Å; F647-F700 HydrophobicContact CB-CD2 3.8Å; F647-F700 HydrophobicContact CB-CE2 4.06Å; F647-F700 HydrophobicContact CD1-CD2 4.1Å; F647-F700 HydrophobicContact CD2-CB 4.25Å; F647-F700 AromaticContact CD2-CD2 3.76Å; F647-F700 HydrophobicContact CD2-CD2 3.76Å; F647-F700 HydrophobicContact CE1-CB 4.29Å; F647-F700 HydrophobicContact CE2-CB 3.97Å; F647-F700 HydrophobicContact CE2-CD2 4.35Å; F647-F700 AromaticContact CG-CD2 3.62Å; F647-F700 HydrophobicContact CG-CD2 3.62Å; F647-F700 HydrophobicContact CG-CE2 4.37Å; F647-F700 HydrophobicContact CZ-CB 4Å; F647-F703 HydrophobicContact CB-CD1 4.18Å; F647-F703 HydrophobicContact CB-CE1 4.1Å; F647-F703 HydrophobicContact CD2-CB 3.95Å; F647-F703 AromaticContact CD2-CD1 3.74Å; F647-F703 HydrophobicContact CD2-CD1 3.74Å; F647-F703 HydrophobicContact CD2-CD2 4.46Å; F647-F703 HydrophobicContact CD2-CE1 4.32Å; F647-F703 AromaticContact CD2-CG 3.81Å; F647-F703 HydrophobicContact CD2-CG 3.81Å; F647-F703 HydrophobicContact CE2-CB 4.16Å; F647-F703 HydrophobicContact CE2-CG 4.43Å; F647-F703 HydrophobicContact CG-CD1 4.46Å
648	N	60.3	Low	60.1	Low	82 Å²	82	75.4 Å²	75.4	44%	0.439	38%	0.377	S	S	.	.	H	α-helix	trans	-67.9	-3.5	177.9	-63.1	-19.5	0	0	0	114.8	E644 I645	E644-N648 WeakPolarHBondContact O-CB 3.45Å; E644-N648 PolarHBondContact O-N 2.84Å; E644-N648 VanDerWaalsContact O-N 3.09Å; E644-N648 PolarHBondContact O-ND2 2.96Å; I645-N648 PolarHBondContact O-N 2.77Å
649	I	62.3	Low	62	Low	103 Å²	103	69.4 Å²	69.4	53%	0.528	36%	0.36	S	S	.	.	H	α-helix	trans	-96	-25.8	171.1	-74.5	165.7	0	0	0	111.3	I645 I646 F647	I645-I649 HydrophobicContact CG2-CD1 3.79Å; I645-I649 WeakPolarHBondContact O-CD1 3.49Å; I645-I649 VanDerWaalsContact O-CG1 3.25Å; I645-I649 WeakPolarHBondContact O-CG1 3.44Å; I645-I649 PolarHBondContact O-N 3.15Å; I646-I649 PolarHBondContact O-N 2.99Å; I646-I649 VanDerWaalsContact O-N 3.15Å; F647-I649 PolarHBondContact O-N 2.79Å
650	I	67.3	Low	63.8	Low	11 Å²	11	66.6 Å²	66.6	6%	0.056	35%	0.351	C	S	.	.	H	α-helix	trans	-88	-45.7	176.9	-56.5	158.2	0	0	0	110	I646 F647 K652 I658 E662 T666 F703	I646-I650 HydrophobicContact CG2-CD1 4.03Å; I646-I650 WeakPolarHBondContact O-CG1 3.2Å; I646-I650 PolarHBondContact O-N 3.28Å; F647-I650 PolarHBondContact O-N 3.35Å; I650-K652 PolarHBondContact O-N 3.18Å; I650-K652 VanDerWaalsContact O-N 3.08Å; I650-I658 HydrophobicContact CB-CD1 3.74Å; I650-I658 HydrophobicContact CB-CG1 4.06Å; I650-I658 HydrophobicContact CD1-CD1 3.94Å; I650-I658 HydrophobicContact CG1-CD1 4.46Å; I650-I658 HydrophobicContact CG2-CB 4.34Å; I650-I658 HydrophobicContact CG2-CD1 3.75Å; I650-I658 HydrophobicContact CG2-CG1 3.83Å; I650-I658 HydrophobicContact CG2-CG2 3.57Å; I650-E662 HydrophobicContact CG2-CB 4.42Å; I650-E662 WeakPolarHBondContact O-CB 3.34Å; I650-T666 HydrophobicContact CG1-CG2 3.92Å; I650-F703 HydrophobicContact CD1-CE2 3.64Å; I650-F703 HydrophobicContact CD1-CZ 3.51Å
651	D	71.1	Confident	65	Low	4 Å²	4	65.6 Å²	65.6	2%	0.021	35%	0.352	C	S	.	.			trans	-68.2	93.7	169.8	175	6.2	0	0	0	109.5	F647 H654 S655 G656 I658	F647-D651 HydrophobicContact CD1-CB 4.33Å; F647-D651 HydrophobicContact CE1-CB 4.17Å; F647-D651 WeakPolarHBondContact O-CB 3.3Å; F647-D651 PolarHBondContact O-N 3.42Å; D651-H654 PolarHBondContact O-CE1 2.98Å; D651-H654 PolarHBondContact O-ND1 3Å; D651-H654 WeakPolarHBondContact OD1-CA 3.35Å; D651-H654 PolarHBondContact OD1-N 3.19Å; D651-S655 PolarHBondContact OD1-N 2.66Å; D651-S655 VanDerWaalsContact OD1-N 3.09Å; D651-G656 VanDerWaalsContact OD2-CA 3.27Å; D651-G656 WeakPolarHBondContact OD2-CA 3.49Å; D651-G656 PolarHBondContact OD2-N 2.84Å; D651-I658 HydrophobicContact CB-CG1 4.26Å
652	K	71	Confident	66.6	Low	108 Å²	108	62.1 Å²	62.1	47%	0.47	33%	0.329	S	S	.	.	S	Bend	trans	-93.6	-21.9	-172.9	-74.9	-172.1	179.2	-166.2	0	113.4	I650 E662 H665	I650-K652 PolarHBondContact O-N 3.18Å; I650-K652 VanDerWaalsContact O-N 3.08Å; K652-E662 PolarHBondContact N-OE1 3.28Å; K652-H665 PolarHBondContact NZ-CD2 2.98Å; K652-H665 PolarHBondContact NZ-NE2 2.67Å
653	D	68.8	Low	68.1	Low	114 Å²	114	58.7 Å²	58.7	61%	0.61	31%	0.31	S	S	*	.	S	Bend	trans	-89.7	-8.8	171.8	77.6	-1.4	0	0	0	113.3	S655 E662	D653-S655 VanDerWaalsContact C-N 3.31Å; D653-S655 WeakPolarHBondContact OD1-CB 3.48Å; D653-S655 PolarHBondContact OD1-N 3.48Å; D653-S655 PolarHBondContact OD1-OG 2.98Å; D653-E662 PolarHBondContact N-OE1 3.34Å
654	H	65.4	Low	68.9	Low	139 Å²	139	59.1 Å²	59.1	64%	0.644	31%	0.309	S	S	*	.			trans	63.1	35.4	-179.3	-55.8	-27.4	0	0	0	112.7	D651 G656	D651-H654 PolarHBondContact O-CE1 2.98Å; D651-H654 PolarHBondContact O-ND1 3Å; D651-H654 WeakPolarHBondContact OD1-CA 3.35Å; D651-H654 PolarHBondContact OD1-N 3.19Å; H654-G656 VanDerWaalsContact C-N 3.3Å
655	S	66.6	Low	69.7	Low	69 Å²	69	60 Å²	60	48%	0.483	31%	0.313	S	S	.	.	S	Bend	trans	-74.8	-16.5	175.4	57.4	0	0	0	0	113.8	D651 D653 L657	D651-S655 PolarHBondContact OD1-N 2.66Å; D651-S655 VanDerWaalsContact OD1-N 3.09Å; D653-S655 VanDerWaalsContact C-N 3.31Å; D653-S655 WeakPolarHBondContact OD1-CB 3.48Å; D653-S655 PolarHBondContact OD1-N 3.48Å; D653-S655 PolarHBondContact OD1-OG 2.98Å; S655-L657 VanDerWaalsContact C-N 3.34Å; S655-L657 PolarHBondContact OG-O 3.2Å
656	G	65.8	Low	70.5	Confident	38 Å²	38	56.1 Å²	56.1	39%	0.392	29%	0.294	S	S	.	.	S	Bend	trans	83.3	8.7	-174.6	0	0	0	0	0	114.1	F647 D651 H654	F647-G656 WeakPolarHBondContact CZ-O 3.42Å; D651-G656 VanDerWaalsContact OD2-CA 3.27Å; D651-G656 WeakPolarHBondContact OD2-CA 3.49Å; D651-G656 PolarHBondContact OD2-N 2.84Å; H654-G656 VanDerWaalsContact C-N 3.3Å
657	L	74.8	Confident	70.8	Confident	69 Å²	69	57 Å²	57	36%	0.361	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132.6	177.9	-63.6	175.3	0	0	0	108.7	S655 D699	S655-L657 VanDerWaalsContact C-N 3.34Å; S655-L657 PolarHBondContact OG-O 3.2Å; L657-D699 HydrophobicContact CD2-CB 3.61Å
658	I	78.4	Confident	71.1	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	119.9	175.4	-70.9	167.3	0	0	0	109.2	F647 I650 D651 F663 S697 I698 F703	F647-I658 HydrophobicContact CD2-CD1 3.33Å; F647-I658 HydrophobicContact CD2-CG1 3.99Å; F647-I658 HydrophobicContact CE2-CD1 3.46Å; F647-I658 VanDerWaalsContact CE2-CD1 3.46Å; F647-I658 HydrophobicContact CE2-CG1 3.67Å; F647-I658 HydrophobicContact CG-CD1 4.06Å; F647-I658 HydrophobicContact CZ-CD1 4.26Å; F647-I658 HydrophobicContact CZ-CG1 4Å; I650-I658 HydrophobicContact CB-CD1 3.74Å; I650-I658 HydrophobicContact CB-CG1 4.06Å; I650-I658 HydrophobicContact CD1-CD1 3.94Å; I650-I658 HydrophobicContact CG1-CD1 4.46Å; I650-I658 HydrophobicContact CG2-CB 4.34Å; I650-I658 HydrophobicContact CG2-CD1 3.75Å; I650-I658 HydrophobicContact CG2-CG1 3.83Å; I650-I658 HydrophobicContact CG2-CG2 3.57Å; D651-I658 HydrophobicContact CB-CG1 4.26Å; I658-F663 HydrophobicContact CG2-CB 3.87Å; I658-F663 HydrophobicContact CG2-CD2 4.21Å; I658-S697 CarbonylContact O-C 3.43Å; I658-S697 WeakPolarHBondContact O-CA 3.26Å; I658-I698 HydrophobicContact CB-CB 4.26Å; I658-I698 PolarHBondContact N-O 3.42Å; I658-I698 PolarHBondContact O-N 3.42Å; I658-F703 HydrophobicContact CD1-CD2 3.93Å; I658-F703 HydrophobicContact CD1-CE2 4.02Å; I658-F703 HydrophobicContact CD1-CG 4.42Å
659	S	81.6	Confident	71.1	Confident	36 Å²	36	63.2 Å²	63.2	25%	0.252	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	155.3	170.6	67.9	0	0	0	0	112.3	E661 E662 F663	S659-E661 PolarHBondContact O-N 2.86Å; S659-E662 WeakPolarHBondContact CB-OE2 3.27Å; S659-E662 PolarHBondContact N-OE2 3.08Å; S659-E662 VanDerWaalsContact N-OE2 3.09Å; S659-E662 PolarHBondContact O-N 3.39Å; S659-E662 WeakPolarHBondContact OG-CB 3.45Å; S659-E662 VanDerWaalsContact OG-CG 3.27Å; S659-E662 WeakPolarHBondContact OG-CG 3.37Å; S659-E662 PolarHBondContact OG-N 3.24Å; S659-E662 PolarHBondContact OG-OE2 2.84Å; S659-F663 WeakPolarHBondContact O-CB 3.28Å; S659-F663 PolarHBondContact O-N 3.4Å
660	I	78.1	Confident	70.6	Confident	35 Å²	35	63 Å²	63	18%	0.179	31%	0.312	C	S	.	.	H	α-helix	trans	-58.1	-37.7	174.6	-67.4	169.8	0	0	0	110.8	F663 R664 A687 G696	I660-F663 PolarHBondContact O-N 3.48Å; I660-R664 VanDerWaalsContact O-CB 3.23Å; I660-R664 WeakPolarHBondContact O-CB 3.18Å; I660-R664 PolarHBondContact O-N 3.14Å; I660-A687 HydrophobicContact CG1-CB 4.39Å; I660-G696 WeakPolarHBondContact CD1-O 3.48Å; I660-G696 WeakPolarHBondContact CG1-O 3.29Å
661	E	78	Confident	70.1	Confident	114 Å²	114	63.7 Å²	63.7	53%	0.533	32%	0.318	S	S	.	.	H	α-helix	trans	-62.6	-42.2	176	-83.2	51.5	-124	0	0	113.1	S659 R664 H665	S659-E661 PolarHBondContact O-N 2.86Å; E661-R664 IonicContact OE1-CZ 3.58Å; E661-R664 IonicContact OE1-NH1 3.67Å; E661-R664 PolarHBondContact OE1-NH1 3.38Å; E661-R664 IonicContact OE1-NH2 2.73Å; E661-H665 VanDerWaalsContact O-CB 3.22Å; E661-H665 WeakPolarHBondContact O-CB 2.9Å; E661-H665 PolarHBondContact O-N 3.17Å
662	E	79.5	Confident	69.4	Low	25 Å²	25	67.6 Å²	67.6	12%	0.117	35%	0.35	C	S	.	.	H	α-helix	trans	-71.5	-40.7	176.5	-75.4	165.9	121.4	0	0	112.7	I650 K652 D653 S659 H665 T666	I650-E662 HydrophobicContact CG2-CB 4.42Å; I650-E662 WeakPolarHBondContact O-CB 3.34Å; K652-E662 PolarHBondContact N-OE1 3.28Å; D653-E662 PolarHBondContact N-OE1 3.34Å; S659-E662 WeakPolarHBondContact CB-OE2 3.27Å; S659-E662 PolarHBondContact N-OE2 3.08Å; S659-E662 VanDerWaalsContact N-OE2 3.09Å; S659-E662 PolarHBondContact O-N 3.39Å; S659-E662 WeakPolarHBondContact OG-CB 3.45Å; S659-E662 VanDerWaalsContact OG-CG 3.27Å; S659-E662 WeakPolarHBondContact OG-CG 3.37Å; S659-E662 PolarHBondContact OG-N 3.24Å; S659-E662 PolarHBondContact OG-OE2 2.84Å; E662-H665 PolarHBondContact O-N 3.17Å; E662-T666 WeakPolarHBondContact O-CB 3.39Å; E662-T666 PolarHBondContact O-N 2.87Å; E662-T666 PolarHBondContact O-OG1 2.88Å
663	F	77.4	Confident	68.2	Low	10 Å²	10	70.4 Å²	70.4	4%	0.044	37%	0.365	C	S	.	.	H	α-helix	trans	-58.5	-50.1	172.7	-168.4	-95.5	0	0	0	110.2	I658 S659 I660 H665 T666 W667 I683 L686 A687 I690 I698	I658-F663 HydrophobicContact CG2-CB 3.87Å; I658-F663 HydrophobicContact CG2-CD2 4.21Å; S659-F663 WeakPolarHBondContact O-CB 3.28Å; S659-F663 PolarHBondContact O-N 3.4Å; I660-F663 PolarHBondContact O-N 3.48Å; F663-H665 PolarHBondContact O-N 3.03Å; F663-T666 PolarHBondContact O-N 2.67Å; F663-W667 WeakPolarHBondContact O-CB 3.49Å; F663-W667 PolarHBondContact O-N 3.18Å; F663-I683 HydrophobicContact CD1-CG2 3.91Å; F663-I683 HydrophobicContact CE1-CG2 4.05Å; F663-L686 HydrophobicContact CE1-CD2 4.25Å; F663-L686 HydrophobicContact CE1-CG 4.29Å; F663-L686 HydrophobicContact CZ-CD2 4.16Å; F663-L686 HydrophobicContact CZ-CG 4.24Å; F663-A687 HydrophobicContact CD1-CB 3.8Å; F663-A687 HydrophobicContact CE1-CB 4.04Å; F663-A687 HydrophobicContact CG-CB 4.4Å; F663-I690 HydrophobicContact CE2-CD1 4.13Å; F663-I690 HydrophobicContact CZ-CD1 3.85Å; F663-I698 HydrophobicContact CD2-CD1 4.14Å; F663-I698 HydrophobicContact CE2-CD1 4.36Å
664	R	73.4	Confident	66.8	Low	40 Å²	40	70.8 Å²	70.8	15%	0.151	37%	0.366	C	S	.	.	H	α-helix	trans	-63	-42.3	177.6	-162.1	-166.7	-62.6	121.9	-8.8	112.1	I660 E661 R668 I683 D684	I660-R664 VanDerWaalsContact O-CB 3.23Å; I660-R664 WeakPolarHBondContact O-CB 3.18Å; I660-R664 PolarHBondContact O-N 3.14Å; E661-R664 IonicContact OE1-CZ 3.58Å; E661-R664 IonicContact OE1-NH1 3.67Å; E661-R664 PolarHBondContact OE1-NH1 3.38Å; E661-R664 IonicContact OE1-NH2 2.73Å; R664-R668 WeakPolarHBondContact O-CB 3.39Å; R664-R668 WeakPolarHBondContact O-CD 3.45Å; R664-R668 WeakPolarHBondContact O-CG 3.3Å; R664-R668 PolarHBondContact O-N 2.88Å; R664-I683 HydrophobicContact CB-CG2 4.33Å; R664-I683 HydrophobicContact CG-CG2 4.21Å; R664-D684 IonicContact CZ-OD1 2.8Å; R664-D684 IonicContact CZ-OD2 2.7Å; R664-D684 IonicContact NE-OD1 3.69Å; R664-D684 PolarHBondContact NE-OD1 3.14Å; R664-D684 IonicContact NE-OD2 3.7Å; R664-D684 IonicContact NH2-OD1 2.72Å; R664-D684 PolarHBondContact NH2-OD1 3.26Å; R664-D684 IonicContact NH2-OD2 2.89Å; R664-D684 PolarHBondContact NH2-OD2 3.35Å
665	H	72.8	Confident	65.7	Low	90 Å²	90	67.5 Å²	67.5	42%	0.417	37%	0.37	S	S	.	.	H	α-helix	trans	-62.3	-42.8	176.2	178.7	98.3	0	0	0	112.1	K652 E661 E662 F663 L669	K652-H665 PolarHBondContact NZ-CD2 2.98Å; K652-H665 PolarHBondContact NZ-NE2 2.67Å; E661-H665 VanDerWaalsContact O-CB 3.22Å; E661-H665 WeakPolarHBondContact O-CB 2.9Å; E661-H665 PolarHBondContact O-N 3.17Å; E662-H665 PolarHBondContact O-N 3.17Å; F663-H665 PolarHBondContact O-N 3.03Å; H665-L669 PolarHBondContact O-N 3.14Å
666	T	69.1	Low	65.1	Low	10 Å²	10	68.3 Å²	68.3	6%	0.061	37%	0.372	C	S	.	.	H	α-helix	trans	-72.4	-38.2	-179.4	-55.6	0	0	0	0	111.8	I650 E662 F663 L669 F670	I650-T666 HydrophobicContact CG1-CG2 3.92Å; E662-T666 WeakPolarHBondContact O-CB 3.39Å; E662-T666 PolarHBondContact O-N 2.87Å; E662-T666 PolarHBondContact O-OG1 2.88Å; F663-T666 PolarHBondContact O-N 2.67Å; T666-L669 VanDerWaalsContact O-CB 3.31Å; T666-L669 WeakPolarHBondContact O-CB 3.3Å; T666-L669 PolarHBondContact O-N 3.24Å; T666-L669 VanDerWaalsContact O-N 3.16Å; T666-F670 HydrophobicContact CG2-CD2 3.99Å; T666-F670 HydrophobicContact CG2-CE2 3.76Å; T666-F670 WeakPolarHBondContact O-CD2 3.31Å; T666-F670 PolarHBondContact O-N 3.12Å
667	W	64.4	Low	64.4	Low	94 Å²	94	71.2 Å²	71.2	36%	0.356	39%	0.392	S	S	.	.	H	α-helix	trans	-69.2	-33.5	176.6	-140.3	-112.7	0	0	0	113	F663 L669 F670 S671 I683	F663-W667 WeakPolarHBondContact O-CB 3.49Å; F663-W667 PolarHBondContact O-N 3.18Å; W667-L669 VanDerWaalsContact C-N 3.33Å; W667-F670 HydrophobicContact CE3-CD2 4.08Å; W667-F670 HydrophobicContact CZ3-CD2 4.23Å; W667-F670 PolarHBondContact O-N 2.99Å; W667-S671 VanDerWaalsContact O-CB 3.25Å; W667-S671 WeakPolarHBondContact O-CB 3.49Å; W667-S671 PolarHBondContact O-N 3.21Å; W667-I683 HydrophobicContact CB-CD1 4.25Å; W667-I683 HydrophobicContact CB-CG2 3.95Å; W667-I683 HydrophobicContact CG-CG2 4.35Å
668	R	67	Low	63.8	Low	118 Å²	118	71.2 Å²	71.2	45%	0.445	39%	0.392	S	S	.	.	H	α-helix	trans	-62.4	-37.3	168.6	-73.3	164.9	173.7	178.1	-8.6	112.5	R664 A672 D680	R664-R668 WeakPolarHBondContact O-CB 3.39Å; R664-R668 WeakPolarHBondContact O-CD 3.45Å; R664-R668 WeakPolarHBondContact O-CG 3.3Å; R664-R668 PolarHBondContact O-N 2.88Å; R668-A672 WeakPolarHBondContact O-CB 3.4Å; R668-A672 PolarHBondContact O-N 2.6Å; R668-D680 IonicContact CZ-OD1 2.74Å; R668-D680 VanDerWaalsContact CZ-OD1 3.22Å; R668-D680 IonicContact CZ-OD2 2.7Å; R668-D680 IonicContact NE-OD1 3.58Å; R668-D680 PolarHBondContact NE-OD1 3.38Å; R668-D680 IonicContact NE-OD2 3.78Å; R668-D680 IonicContact NH2-OD1 2.69Å; R668-D680 PolarHBondContact NH2-OD1 3.09Å; R668-D680 IonicContact NH2-OD2 3.62Å; R668-D680 PolarHBondContact NH2-OD2 2.88Å
669	L	60	Low	63.5	Low	101 Å²	101	76 Å²	76	53%	0.529	42%	0.418	S	S	.	.	H	α-helix	trans	-63.9	-45.7	173.6	-99.3	161	0	0	0	112	H665 T666 W667 A672 H673	H665-L669 PolarHBondContact O-N 3.14Å; T666-L669 VanDerWaalsContact O-CB 3.31Å; T666-L669 WeakPolarHBondContact O-CB 3.3Å; T666-L669 PolarHBondContact O-N 3.24Å; T666-L669 VanDerWaalsContact O-N 3.16Å; W667-L669 VanDerWaalsContact C-N 3.33Å; L669-A672 PolarHBondContact O-N 3.08Å; L669-H673 PolarHBondContact O-N 3.4Å; L669-H673 VanDerWaalsContact O-N 3.14Å
670	F	51.4	Low	62.8	Low	98 Å²	98	77 Å²	77	43%	0.43	42%	0.42	S	S	.	.	H	α-helix	trans	-63.9	-45.1	173.4	-80	-68.5	0	0	0	112.5	T666 W667 A672 H673 L674	T666-F670 HydrophobicContact CG2-CD2 3.99Å; T666-F670 HydrophobicContact CG2-CE2 3.76Å; T666-F670 WeakPolarHBondContact O-CD2 3.31Å; T666-F670 PolarHBondContact O-N 3.12Å; W667-F670 HydrophobicContact CE3-CD2 4.08Å; W667-F670 HydrophobicContact CZ3-CD2 4.23Å; W667-F670 PolarHBondContact O-N 2.99Å; F670-A672 VanDerWaalsContact C-N 3.32Å; F670-A672 PolarHBondContact O-N 3.4Å; F670-H673 PolarHBondContact O-N 3.05Å; F670-H673 VanDerWaalsContact O-N 3.12Å; F670-L674 HydrophobicContact CB-CD1 4.48Å; F670-L674 WeakPolarHBondContact O-CB 3.31Å; F670-L674 WeakPolarHBondContact O-CG 3.49Å; F670-L674 PolarHBondContact O-N 3.32Å
671	S	56.8	Low	62.4	Low	25 Å²	25	84.3 Å²	84.3	18%	0.175	45%	0.446	C	S	.	.	H	α-helix	trans	-53.7	-47.3	175.5	170	0	0	0	0	111.7	W667 H673 L674 G675 V676	W667-S671 VanDerWaalsContact O-CB 3.25Å; W667-S671 WeakPolarHBondContact O-CB 3.49Å; W667-S671 PolarHBondContact O-N 3.21Å; S671-H673 VanDerWaalsContact C-N 3.34Å; S671-H673 PolarHBondContact O-N 3.4Å; S671-L674 PolarHBondContact O-N 3.47Å; S671-G675 PolarHBondContact O-N 3.09Å; S671-V676 WeakPolarHBondContact CB-O 3.34Å; S671-V676 PolarHBondContact O-N 3.02Å; S671-V676 PolarHBondContact OG-O 3.15Å
672	A	57.9	Low	61.7	Low	86 Å²	86	81.3 Å²	81.3	71%	0.711	44%	0.44	S	S	*	.	H	α-helix	trans	-67.5	-31.1	178.6	0	0	0	0	0	113.5	R668 L669 F670	R668-A672 WeakPolarHBondContact O-CB 3.4Å; R668-A672 PolarHBondContact O-N 2.6Å; L669-A672 PolarHBondContact O-N 3.08Å; F670-A672 VanDerWaalsContact C-N 3.32Å; F670-A672 PolarHBondContact O-N 3.4Å
673	H	44.1	Very low	61	Low	168 Å²	168	80.2 Å²	80.2	78%	0.778	44%	0.435	S	S	*	.	H	α-helix	trans	-82.6	-29.4	179.2	-161.3	76.2	0	0	0	113.3	L669 F670 S671	L669-H673 PolarHBondContact O-N 3.4Å; L669-H673 VanDerWaalsContact O-N 3.14Å; F670-H673 PolarHBondContact O-N 3.05Å; F670-H673 VanDerWaalsContact O-N 3.12Å; S671-H673 VanDerWaalsContact C-N 3.34Å; S671-H673 PolarHBondContact O-N 3.4Å
674	L	40.9	Very low	60.7	Low	121 Å²	121	81.3 Å²	81.3	63%	0.634	44%	0.441	S	S	*	.	H	α-helix	trans	-95.8	-8.9	-178.8	-63.9	171.2	0	0	0	113.7	F670 S671 V676	F670-L674 HydrophobicContact CB-CD1 4.48Å; F670-L674 WeakPolarHBondContact O-CB 3.31Å; F670-L674 WeakPolarHBondContact O-CG 3.49Å; F670-L674 PolarHBondContact O-N 3.32Å; S671-L674 PolarHBondContact O-N 3.47Å; L674-V676 VanDerWaalsContact C-N 3.26Å; L674-V676 PolarHBondContact O-N 2.96Å
675	G	42.3	Very low	60.6	Low	71 Å²	71	85.2 Å²	85.2	73%	0.732	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	11.9	178.9	0	0	0	0	0	114.8	S671	S671-G675 PolarHBondContact O-N 3.09Å
676	V	52.8	Low	60.2	Low	86 Å²	86	84.2 Å²	84.2	52%	0.521	46%	0.459	S	S	.	.			trans	-101.2	107.5	-179.5	-177.1	0	0	0	0	109	S671 L674 I678	S671-V676 WeakPolarHBondContact CB-O 3.34Å; S671-V676 PolarHBondContact O-N 3.02Å; S671-V676 PolarHBondContact OG-O 3.15Å; L674-V676 VanDerWaalsContact C-N 3.26Å; L674-V676 PolarHBondContact O-N 2.96Å; V676-I678 HydrophobicContact CG1-CG1 4.13Å; V676-I678 PolarHBondContact O-N 2.79Å
677	A	51.5	Low	60.2	Low	98 Å²	98	83.8 Å²	83.8	81%	0.81	46%	0.456	S	S	*	.			trans	-70.6	123.1	173.8	0	0	0	0	0	110.5
678	I	62.3	Low	60.6	Low	69 Å²	69	85.8 Å²	85.8	35%	0.354	46%	0.463	S	S	.	.			trans	-122.4	133.6	177.6	-55.4	175.7	0	0	0	107.5	V676 A682 I683	V676-I678 HydrophobicContact CG1-CG1 4.13Å; V676-I678 PolarHBondContact O-N 2.79Å; I678-A682 HydrophobicContact CG2-CB 4.36Å; I678-I683 HydrophobicContact CB-CD1 4.46Å; I678-I683 HydrophobicContact CG2-CD1 4.21Å; I678-I683 HydrophobicContact CG2-CG1 3.75Å
679	D	71.3	Confident	60.5	Low	102 Å²	102	83.5 Å²	83.5	55%	0.545	47%	0.465	S	S	.	.			trans	-71.7	139.6	177.1	-179	32.1	0	0	0	111.3	R681 A682 I683	D679-R681 PolarHBondContact O-N 3.44Å; D679-R681 VanDerWaalsContact O-N 3.15Å; D679-R681 WeakPolarHBondContact OD2-CB 3.19Å; D679-A682 WeakPolarHBondContact O-CB 3.38Å; D679-A682 PolarHBondContact O-N 3.45Å; D679-I683 PolarHBondContact O-N 3.18Å
680	D	67.6	Low	60.8	Low	57 Å²	57	79.4 Å²	79.4	31%	0.305	44%	0.444	S	S	.	.	H	α-helix	trans	-57.1	-33.3	-178.7	-76.9	-42.9	0	0	0	112.1	R668 A682 I683 D684	R668-D680 IonicContact CZ-OD1 2.74Å; R668-D680 VanDerWaalsContact CZ-OD1 3.22Å; R668-D680 IonicContact CZ-OD2 2.7Å; R668-D680 IonicContact NE-OD1 3.58Å; R668-D680 PolarHBondContact NE-OD1 3.38Å; R668-D680 IonicContact NE-OD2 3.78Å; R668-D680 IonicContact NH2-OD1 2.69Å; R668-D680 PolarHBondContact NH2-OD1 3.09Å; R668-D680 IonicContact NH2-OD2 3.62Å; R668-D680 PolarHBondContact NH2-OD2 2.88Å; D680-A682 VanDerWaalsContact C-N 3.33Å; D680-A682 PolarHBondContact O-N 3.02Å; D680-I683 PolarHBondContact O-N 2.96Å; D680-D684 PolarHBondContact O-N 2.75Å
681	R	69.5	Low	61.8	Low	188 Å²	188	75.4 Å²	75.4	71%	0.709	43%	0.427	S	S	*	.	H	α-helix	trans	-63.5	-38.5	177.3	-60.4	-179.1	171.6	-151.1	-2.7	112.5	D679 I683 D684 E685	D679-R681 PolarHBondContact O-N 3.44Å; D679-R681 VanDerWaalsContact O-N 3.15Å; D679-R681 WeakPolarHBondContact OD2-CB 3.19Å; R681-I683 VanDerWaalsContact C-N 3.32Å; R681-D684 PolarHBondContact O-N 3Å; R681-E685 WeakPolarHBondContact O-CB 2.93Å; R681-E685 WeakPolarHBondContact O-CG 3.39Å; R681-E685 PolarHBondContact O-N 3.32Å
682	A	62.9	Low	62.1	Low	50 Å²	50	79.5 Å²	79.5	41%	0.413	44%	0.442	S	S	.	.	H	α-helix	trans	-70.4	-32.2	177.6	0	0	0	0	0	111.5	I678 D679 D680 L686	I678-A682 HydrophobicContact CG2-CB 4.36Å; D679-A682 WeakPolarHBondContact O-CB 3.38Å; D679-A682 PolarHBondContact O-N 3.45Å; D680-A682 VanDerWaalsContact C-N 3.33Å; D680-A682 PolarHBondContact O-N 3.02Å; A682-L686 WeakPolarHBondContact O-CB 3.22Å; A682-L686 PolarHBondContact O-N 3.43Å
683	I	65.3	Low	62.7	Low	2 Å²	2	79.5 Å²	79.5	1%	0.01	43%	0.43	C	S	.	.	H	α-helix	trans	-68.3	-42.3	173.5	-54.3	171.6	0	0	0	110.2	F663 R664 W667 I678 D679 D680 R681 L686 A687	F663-I683 HydrophobicContact CD1-CG2 3.91Å; F663-I683 HydrophobicContact CE1-CG2 4.05Å; R664-I683 HydrophobicContact CB-CG2 4.33Å; R664-I683 HydrophobicContact CG-CG2 4.21Å; W667-I683 HydrophobicContact CB-CD1 4.25Å; W667-I683 HydrophobicContact CB-CG2 3.95Å; W667-I683 HydrophobicContact CG-CG2 4.35Å; I678-I683 HydrophobicContact CB-CD1 4.46Å; I678-I683 HydrophobicContact CG2-CD1 4.21Å; I678-I683 HydrophobicContact CG2-CG1 3.75Å; D679-I683 PolarHBondContact O-N 3.18Å; D680-I683 PolarHBondContact O-N 2.96Å; R681-I683 VanDerWaalsContact C-N 3.32Å; I683-L686 PolarHBondContact O-N 3.14Å; I683-A687 PolarHBondContact O-N 3.38Å
684	D	72.1	Confident	64.2	Low	33 Å²	33	79.5 Å²	79.5	18%	0.176	43%	0.428	C	S	.	.	H	α-helix	trans	-67.8	-34	176.8	-70.1	1.1	0	0	0	112.6	R664 D680 R681 R688	R664-D684 IonicContact CZ-OD1 2.8Å; R664-D684 IonicContact CZ-OD2 2.7Å; R664-D684 IonicContact NE-OD1 3.69Å; R664-D684 PolarHBondContact NE-OD1 3.14Å; R664-D684 IonicContact NE-OD2 3.7Å; R664-D684 IonicContact NH2-OD1 2.72Å; R664-D684 PolarHBondContact NH2-OD1 3.26Å; R664-D684 IonicContact NH2-OD2 2.89Å; R664-D684 PolarHBondContact NH2-OD2 3.35Å; D680-D684 PolarHBondContact O-N 2.75Å; R681-D684 PolarHBondContact O-N 3Å; D684-R688 VanDerWaalsContact C-NH2 3.32Å; D684-R688 WeakPolarHBondContact O-CB 3.49Å; D684-R688 WeakPolarHBondContact O-CG 3.43Å; D684-R688 PolarHBondContact O-N 2.96Å; D684-R688 VanDerWaalsContact O-N 3.13Å; D684-R688 PolarHBondContact O-NE 3.16Å; D684-R688 PolarHBondContact O-NH2 3.49Å
685	E	70.1	Confident	65.7	Low	123 Å²	123	78 Å²	78	58%	0.575	42%	0.42	S	S	*	.	H	α-helix	trans	-72.3	-36.5	173.8	-74.4	179.9	177.7	0	0	111.8	R681 R688 S689	R681-E685 WeakPolarHBondContact O-CB 2.93Å; R681-E685 WeakPolarHBondContact O-CG 3.39Å; R681-E685 PolarHBondContact O-N 3.32Å; E685-R688 PolarHBondContact O-N 3.25Å; E685-S689 PolarHBondContact O-N 3.31Å; E685-S689 VanDerWaalsContact O-N 3.11Å
686	L	65.1	Low	67.1	Low	69 Å²	69	76.1 Å²	76.1	36%	0.361	40%	0.401	S	S	.	.	H	α-helix	trans	-62.5	-48.5	171.5	-179	62.1	0	0	0	111.1	F663 A682 I683 R688 S689 I690	F663-L686 HydrophobicContact CE1-CD2 4.25Å; F663-L686 HydrophobicContact CE1-CG 4.29Å; F663-L686 HydrophobicContact CZ-CD2 4.16Å; F663-L686 HydrophobicContact CZ-CG 4.24Å; A682-L686 WeakPolarHBondContact O-CB 3.22Å; A682-L686 PolarHBondContact O-N 3.43Å; I683-L686 PolarHBondContact O-N 3.14Å; L686-R688 PolarHBondContact O-N 3.17Å; L686-S689 WeakPolarHBondContact O-CB 3.48Å; L686-S689 PolarHBondContact O-N 2.97Å; L686-S689 PolarHBondContact O-OG 3.49Å; L686-I690 HydrophobicContact CD1-CD1 4.32Å; L686-I690 HydrophobicContact CG-CD1 4.21Å; L686-I690 WeakPolarHBondContact O-CG1 3.44Å; L686-I690 PolarHBondContact O-N 3.37Å
687	A	68.3	Low	68.2	Low	1 Å²	1	73.5 Å²	73.5	1%	0.008	39%	0.387	C	S	.	.	H	α-helix	trans	-56.5	-48.5	176.2	0	0	0	0	0	111.8	I660 F663 I683 S689 I690 D691 I698	I660-A687 HydrophobicContact CG1-CB 4.39Å; F663-A687 HydrophobicContact CD1-CB 3.8Å; F663-A687 HydrophobicContact CE1-CB 4.04Å; F663-A687 HydrophobicContact CG-CB 4.4Å; I683-A687 PolarHBondContact O-N 3.38Å; A687-S689 PolarHBondContact O-N 3.22Å; A687-S689 VanDerWaalsContact O-N 3.11Å; A687-I690 PolarHBondContact O-N 2.87Å; A687-D691 PolarHBondContact O-N 2.94Å; A687-I698 HydrophobicContact CB-CD1 4.27Å
688	R	72.9	Confident	69.3	Low	135 Å²	135	69 Å²	69	51%	0.509	35%	0.348	S	S	.	.	H	α-helix	trans	-68.7	-2.2	175.6	-74	175.2	-74.9	138	-4.9	115.1	D684 E685 L686	D684-R688 VanDerWaalsContact C-NH2 3.32Å; D684-R688 WeakPolarHBondContact O-CB 3.49Å; D684-R688 WeakPolarHBondContact O-CG 3.43Å; D684-R688 PolarHBondContact O-N 2.96Å; D684-R688 VanDerWaalsContact O-N 3.13Å; D684-R688 PolarHBondContact O-NE 3.16Å; D684-R688 PolarHBondContact O-NH2 3.49Å; E685-R688 PolarHBondContact O-N 3.25Å; L686-R688 PolarHBondContact O-N 3.17Å
689	S	64.6	Low	69.9	Low	70 Å²	70	68 Å²	68	49%	0.49	34%	0.344	S	S	.	.	H	α-helix	trans	-101.4	-12.1	170.4	77.4	0	0	0	0	113.5	E685 L686 A687	E685-S689 PolarHBondContact O-N 3.31Å; E685-S689 VanDerWaalsContact O-N 3.11Å; L686-S689 WeakPolarHBondContact O-CB 3.48Å; L686-S689 PolarHBondContact O-N 2.97Å; L686-S689 PolarHBondContact O-OG 3.49Å; A687-S689 PolarHBondContact O-N 3.22Å; A687-S689 VanDerWaalsContact O-N 3.11Å
690	I	67.6	Low	69.6	Low	16 Å²	16	65.4 Å²	65.4	8%	0.082	33%	0.328	C	S	.	.	H	α-helix	trans	-98.7	-37.6	177.1	-63.1	169.6	0	0	0	110.1	F663 L686 A687 F692 I698 A706	F663-I690 HydrophobicContact CE2-CD1 4.13Å; F663-I690 HydrophobicContact CZ-CD1 3.85Å; L686-I690 HydrophobicContact CD1-CD1 4.32Å; L686-I690 HydrophobicContact CG-CD1 4.21Å; L686-I690 WeakPolarHBondContact O-CG1 3.44Å; L686-I690 PolarHBondContact O-N 3.37Å; A687-I690 PolarHBondContact O-N 2.87Å; I690-F692 WeakPolarHBondContact O-CD2 3.49Å; I690-F692 WeakPolarHBondContact O-CE2 3.17Å; I690-F692 PolarHBondContact O-N 3.46Å; I690-I698 HydrophobicContact CB-CD1 3.99Å; I690-I698 HydrophobicContact CB-CG1 4.42Å; I690-I698 HydrophobicContact CG2-CD1 3.88Å; I690-I698 HydrophobicContact CG2-CG1 4.09Å; I690-I698 HydrophobicContact CG2-CG2 3.61Å; I690-A706 HydrophobicContact CB-CB 4.34Å; I690-A706 HydrophobicContact CD1-CB 4.27Å; I690-A706 HydrophobicContact CG1-CB 3.78Å; I690-A706 HydrophobicContact CG2-CB 3.89Å
691	D	71	Confident	69.2	Low	13 Å²	13	67.1 Å²	67.1	7%	0.07	34%	0.341	C	S	.	.			trans	-62.4	96	165.5	176.1	8.3	0	0	0	109.6	A687 K694 D695 G696 S697 I698	A687-D691 PolarHBondContact O-N 2.94Å; D691-K694 WeakPolarHBondContact OD1-CA 3.3Å; D691-K694 PolarHBondContact OD1-N 3.48Å; D691-K694 WeakPolarHBondContact OD2-CA 3.39Å; D691-D695 PolarHBondContact OD1-N 2.97Å; D691-G696 WeakPolarHBondContact OD2-CA 3.44Å; D691-G696 PolarHBondContact OD2-N 3.2Å; D691-S697 WeakPolarHBondContact CB-O 3.29Å; D691-I698 HydrophobicContact CB-CG1 4.3Å
692	F	64.9	Low	69.3	Low	112 Å²	112	58.9 Å²	58.9	49%	0.491	31%	0.31	S	S	.	.	S	Bend	trans	-85.1	-31.6	-177.4	-73.3	-73.7	0	0	0	111.5	I690 E702 E705	I690-F692 WeakPolarHBondContact O-CD2 3.49Å; I690-F692 WeakPolarHBondContact O-CE2 3.17Å; I690-F692 PolarHBondContact O-N 3.46Å; F692-E702 HydrophobicContact CD2-CB 4.22Å; F692-E702 HydrophobicContact CD2-CG 4.24Å; F692-E702 PolarHBondContact N-OE1 3.36Å; F692-E705 HydrophobicContact CE2-CB 4.26Å
693	N	69.8	Low	69.3	Low	85 Å²	85	56.9 Å²	56.9	46%	0.455	29%	0.292	S	S	.	.	S	Bend	trans	-83.7	-25.2	-176.4	92.5	72.2	0	0	0	113.2	D695 E702	N693-D695 PolarHBondContact ND2-OD2 3.1Å; N693-D695 VanDerWaalsContact OD1-CB 3.27Å; N693-D695 WeakPolarHBondContact OD1-CB 3.27Å; N693-D695 PolarHBondContact OD1-N 3.2Å; N693-D695 VanDerWaalsContact OD1-N 3.13Å; N693-D695 PolarHBondContact OD1-OD2 2.83Å; N693-D695 VanDerWaalsContact OD1-OD2 3.11Å; N693-E702 WeakPolarHBondContact CB-OE1 3.44Å; N693-E702 PolarHBondContact N-OE1 3.26Å; N693-E702 PolarHBondContact ND2-OE1 3.03Å; N693-E702 PolarHBondContact ND2-OE2 3.3Å
694	K	76.4	Confident	69	Low	169 Å²	169	58.2 Å²	58.2	74%	0.735	30%	0.299	S	S	*	.			trans	74.1	35.9	178.3	-56.3	-175.8	179.7	-179.8	0	115.6	D691	D691-K694 WeakPolarHBondContact OD1-CA 3.3Å; D691-K694 PolarHBondContact OD1-N 3.48Å; D691-K694 WeakPolarHBondContact OD2-CA 3.39Å
695	D	72.5	Confident	68.3	Low	89 Å²	89	59.6 Å²	59.6	48%	0.476	31%	0.305	S	S	.	.	S	Bend	trans	-82.3	-12.6	170.9	72.3	44.7	0	0	0	114	D691 N693 S697	D691-D695 PolarHBondContact OD1-N 2.97Å; N693-D695 PolarHBondContact ND2-OD2 3.1Å; N693-D695 VanDerWaalsContact OD1-CB 3.27Å; N693-D695 WeakPolarHBondContact OD1-CB 3.27Å; N693-D695 PolarHBondContact OD1-N 3.2Å; N693-D695 VanDerWaalsContact OD1-N 3.13Å; N693-D695 PolarHBondContact OD1-OD2 2.83Å; N693-D695 VanDerWaalsContact OD1-OD2 3.11Å; D695-S697 WeakPolarHBondContact OD1-CA 3.3Å; D695-S697 VanDerWaalsContact OD1-CB 3.24Å; D695-S697 WeakPolarHBondContact OD1-CB 3.49Å; D695-S697 PolarHBondContact OD1-N 3.39Å; D695-S697 PolarHBondContact OD1-OG 2.97Å
696	G	71.1	Confident	67.7	Low	31 Å²	31	54.6 Å²	54.6	32%	0.32	29%	0.285	S	S	.	.	S	Bend	trans	92.5	2.4	-179.8	0	0	0	0	0	114.9	I660 D691	I660-G696 WeakPolarHBondContact CD1-O 3.48Å; I660-G696 WeakPolarHBondContact CG1-O 3.29Å; D691-G696 WeakPolarHBondContact OD2-CA 3.44Å; D691-G696 PolarHBondContact OD2-N 3.2Å
697	S	74.6	Confident	66.9	Low	32 Å²	32	56.1 Å²	56.1	22%	0.224	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	178.4	168.3	-37.6	0	0	0	0	109.7	I658 D691 D695	I658-S697 CarbonylContact O-C 3.43Å; I658-S697 WeakPolarHBondContact O-CA 3.26Å; D691-S697 WeakPolarHBondContact CB-O 3.29Å; D695-S697 WeakPolarHBondContact OD1-CA 3.3Å; D695-S697 VanDerWaalsContact OD1-CB 3.24Å; D695-S697 WeakPolarHBondContact OD1-CB 3.49Å; D695-S697 PolarHBondContact OD1-N 3.39Å; D695-S697 PolarHBondContact OD1-OG 2.97Å
698	I	76.1	Confident	65.8	Low	2 Å²	2	60.5 Å²	60.5	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	115.3	171.6	-65.2	166.7	0	0	0	108.4	I658 F663 A687 I690 D691 E702 F703	I658-I698 HydrophobicContact CB-CB 4.26Å; I658-I698 PolarHBondContact N-O 3.42Å; I658-I698 PolarHBondContact O-N 3.42Å; F663-I698 HydrophobicContact CD2-CD1 4.14Å; F663-I698 HydrophobicContact CE2-CD1 4.36Å; A687-I698 HydrophobicContact CB-CD1 4.27Å; I690-I698 HydrophobicContact CB-CD1 3.99Å; I690-I698 HydrophobicContact CB-CG1 4.42Å; I690-I698 HydrophobicContact CG2-CD1 3.88Å; I690-I698 HydrophobicContact CG2-CG1 4.09Å; I690-I698 HydrophobicContact CG2-CG2 3.61Å; D691-I698 HydrophobicContact CB-CG1 4.3Å; I698-E702 HydrophobicContact CG2-CB 4.29Å; I698-F703 HydrophobicContact CG2-CB 3.82Å; I698-F703 HydrophobicContact CG2-CD2 4.32Å
699	D	73.9	Confident	64.5	Low	49 Å²	49	57.5 Å²	57.5	26%	0.262	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	161.7	174.8	96.3	28	0	0	0	112.5	L657 T701 E702 F703	L657-D699 HydrophobicContact CD2-CB 3.61Å; D699-T701 PolarHBondContact O-N 3.01Å; D699-T701 WeakPolarHBondContact OD1-CA 3.36Å; D699-T701 WeakPolarHBondContact OD1-CB 3.33Å; D699-T701 PolarHBondContact OD1-N 3.45Å; D699-T701 PolarHBondContact OD1-OG1 3.11Å; D699-E702 PolarHBondContact N-OE2 3.34Å; D699-E702 VanDerWaalsContact N-OE2 3.13Å; D699-E702 PolarHBondContact O-N 3.18Å; D699-E702 VanDerWaalsContact O-N 3.13Å; D699-E702 PolarHBondContact OD1-N 3.37Å; D699-F703 WeakPolarHBondContact O-CB 3.49Å; D699-F703 PolarHBondContact O-N 2.95Å
700	F	65.7	Low	63.4	Low	47 Å²	47	58.1 Å²	58.1	21%	0.206	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-30.3	-177.8	179.2	-113	0	0	0	114	I643 E644 F647 L704	I643-F700 HydrophobicContact CG2-CE2 4.04Å; E644-F700 HydrophobicContact CB-CE2 4.08Å; E644-F700 HydrophobicContact CB-CZ 3.9Å; E644-F700 HydrophobicContact CG-CE2 4.45Å; E644-F700 HydrophobicContact CG-CZ 4.22Å; F647-F700 HydrophobicContact CB-CD2 3.8Å; F647-F700 HydrophobicContact CB-CE2 4.06Å; F647-F700 HydrophobicContact CD1-CD2 4.1Å; F647-F700 HydrophobicContact CD2-CB 4.25Å; F647-F700 AromaticContact CD2-CD2 3.76Å; F647-F700 HydrophobicContact CD2-CD2 3.76Å; F647-F700 HydrophobicContact CE1-CB 4.29Å; F647-F700 HydrophobicContact CE2-CB 3.97Å; F647-F700 HydrophobicContact CE2-CD2 4.35Å; F647-F700 AromaticContact CG-CD2 3.62Å; F647-F700 HydrophobicContact CG-CD2 3.62Å; F647-F700 HydrophobicContact CG-CE2 4.37Å; F647-F700 HydrophobicContact CZ-CB 4Å; F700-L704 HydrophobicContact CZ-CD1 4.41Å; F700-L704 WeakPolarHBondContact O-CB 3.46Å; F700-L704 PolarHBondContact O-N 3.47Å; F700-L704 VanDerWaalsContact O-N 3.09Å
701	T	58.7	Low	62	Low	94 Å²	94	61.3 Å²	61.3	58%	0.577	32%	0.316	S	S	*	.	H	α-helix	trans	-69.8	-46.5	174.3	-31.4	0	0	0	0	110.8	D699 L704 E705	D699-T701 PolarHBondContact O-N 3.01Å; D699-T701 WeakPolarHBondContact OD1-CA 3.36Å; D699-T701 WeakPolarHBondContact OD1-CB 3.33Å; D699-T701 PolarHBondContact OD1-N 3.45Å; D699-T701 PolarHBondContact OD1-OG1 3.11Å; T701-L704 PolarHBondContact O-N 2.89Å; T701-E705 VanDerWaalsContact O-CB 3.31Å; T701-E705 WeakPolarHBondContact O-CB 3.37Å; T701-E705 PolarHBondContact O-N 3.27Å
702	E	70.9	Confident	60.6	Low	15 Å²	15	66.2 Å²	66.2	7%	0.07	34%	0.337	C	S	.	.	H	α-helix	trans	-65.6	-44.9	179.1	-66.9	-179.9	128.3	0	0	111.6	F692 N693 I698 D699 L704 E705 A706	F692-E702 HydrophobicContact CD2-CB 4.22Å; F692-E702 HydrophobicContact CD2-CG 4.24Å; F692-E702 PolarHBondContact N-OE1 3.36Å; N693-E702 WeakPolarHBondContact CB-OE1 3.44Å; N693-E702 PolarHBondContact N-OE1 3.26Å; N693-E702 PolarHBondContact ND2-OE1 3.03Å; N693-E702 PolarHBondContact ND2-OE2 3.3Å; I698-E702 HydrophobicContact CG2-CB 4.29Å; D699-E702 PolarHBondContact N-OE2 3.34Å; D699-E702 VanDerWaalsContact N-OE2 3.13Å; D699-E702 PolarHBondContact O-N 3.18Å; D699-E702 VanDerWaalsContact O-N 3.13Å; D699-E702 PolarHBondContact OD1-N 3.37Å; E702-L704 PolarHBondContact O-N 3.25Å; E702-E705 PolarHBondContact O-N 3.34Å; E702-E705 VanDerWaalsContact O-N 3.16Å; E702-A706 PolarHBondContact O-N 2.95Å
703	F	63.2	Low	59.2	Low	8 Å²	8	65.2 Å²	65.2	4%	0.035	34%	0.336	C	S	.	.	H	α-helix	trans	-53.5	-51.3	171.7	-172.7	-109.1	0	0	0	111.4	I643 I646 F647 I650 I658 I698 D699 E705 A706 F707	I643-F703 HydrophobicContact CG2-CD1 3.97Å; I643-F703 HydrophobicContact CG2-CE1 4.01Å; I646-F703 HydrophobicContact CG2-CE1 4.25Å; I646-F703 HydrophobicContact CG2-CZ 3.9Å; F647-F703 HydrophobicContact CB-CD1 4.18Å; F647-F703 HydrophobicContact CB-CE1 4.1Å; F647-F703 HydrophobicContact CD2-CB 3.95Å; F647-F703 AromaticContact CD2-CD1 3.74Å; F647-F703 HydrophobicContact CD2-CD1 3.74Å; F647-F703 HydrophobicContact CD2-CD2 4.46Å; F647-F703 HydrophobicContact CD2-CE1 4.32Å; F647-F703 AromaticContact CD2-CG 3.81Å; F647-F703 HydrophobicContact CD2-CG 3.81Å; F647-F703 HydrophobicContact CE2-CB 4.16Å; F647-F703 HydrophobicContact CE2-CG 4.43Å; F647-F703 HydrophobicContact CG-CD1 4.46Å; I650-F703 HydrophobicContact CD1-CE2 3.64Å; I650-F703 HydrophobicContact CD1-CZ 3.51Å; I658-F703 HydrophobicContact CD1-CD2 3.93Å; I658-F703 HydrophobicContact CD1-CE2 4.02Å; I658-F703 HydrophobicContact CD1-CG 4.42Å; I698-F703 HydrophobicContact CG2-CB 3.82Å; I698-F703 HydrophobicContact CG2-CD2 4.32Å; D699-F703 WeakPolarHBondContact O-CB 3.49Å; D699-F703 PolarHBondContact O-N 2.95Å; F703-E705 VanDerWaalsContact C-N 3.31Å; F703-E705 PolarHBondContact O-N 3.05Å; F703-A706 PolarHBondContact O-N 2.87Å; F703-F707 HydrophobicContact CD1-CE2 4.11Å; F703-F707 HydrophobicContact CD2-CE2 4.38Å; F703-F707 HydrophobicContact CE1-CD2 4.46Å; F703-F707 AromaticContact CE1-CE2 3.69Å; F703-F707 HydrophobicContact CE1-CE2 3.69Å; F703-F707 AromaticContact CE2-CE2 3.98Å; F703-F707 HydrophobicContact CE2-CE2 3.98Å; F703-F707 HydrophobicContact CG-CE2 4.44Å; F703-F707 AromaticContact CZ-CE2 3.61Å; F703-F707 HydrophobicContact CZ-CE2 3.61Å; F703-F707 HydrophobicContact CZ-CZ 4.17Å; F703-F707 VanDerWaalsContact O-CD2 3.24Å; F703-F707 WeakPolarHBondContact O-CD2 3.23Å
704	L	59.7	Low	57.7	Low	29 Å²	29	65.2 Å²	65.2	15%	0.152	34%	0.336	C	S	.	.	H	α-helix	trans	-64	-35.6	178.7	-179.8	148.2	0	0	0	112.3	L636 I643 F700 T701 E702 F707 R708	L636-L704 HydrophobicContact CD2-CD1 4.15Å; L636-L704 HydrophobicContact CD2-CD2 3.49Å; L636-L704 VanDerWaalsContact CD2-CD2 3.49Å; L636-L704 HydrophobicContact CD2-CG 4.37Å; I643-L704 HydrophobicContact CG2-CB 4.46Å; F700-L704 HydrophobicContact CZ-CD1 4.41Å; F700-L704 WeakPolarHBondContact O-CB 3.46Å; F700-L704 PolarHBondContact O-N 3.47Å; F700-L704 VanDerWaalsContact O-N 3.09Å; T701-L704 PolarHBondContact O-N 2.89Å; E702-L704 PolarHBondContact O-N 3.25Å; L704-F707 PolarHBondContact O-N 3.33Å; L704-R708 PolarHBondContact O-N 3.48Å
705	E	57.8	Low	56.1	Low	62 Å²	62	61 Å²	61	29%	0.29	32%	0.321	S	S	.	.	H	α-helix	trans	-74.5	-26.4	-178.2	-155.4	75.6	153.7	0	0	112.5	F692 T701 E702 F703 R708 V709	F692-E705 HydrophobicContact CE2-CB 4.26Å; T701-E705 VanDerWaalsContact O-CB 3.31Å; T701-E705 WeakPolarHBondContact O-CB 3.37Å; T701-E705 PolarHBondContact O-N 3.27Å; E702-E705 PolarHBondContact O-N 3.34Å; E702-E705 VanDerWaalsContact O-N 3.16Å; F703-E705 VanDerWaalsContact C-N 3.31Å; F703-E705 PolarHBondContact O-N 3.05Å; E705-R708 VanDerWaalsContact CD-CD 3.44Å; E705-R708 WeakPolarHBondContact O-CB 3.35Å; E705-R708 PolarHBondContact O-N 2.9Å; E705-R708 IonicContact OE1-CZ 3.19Å; E705-R708 IonicContact OE1-NH1 2.73Å; E705-R708 PolarHBondContact OE1-NH1 3.41Å; E705-R708 WeakPolarHBondContact OE2-CD 3.47Å; E705-R708 IonicContact OE2-NE 3.69Å; E705-R708 IonicContact OE2-NH1 3.98Å; E705-V709 PolarHBondContact O-N 2.91Å
706	A	57	Low	54.6	Low	19 Å²	19	63.1 Å²	63.1	16%	0.157	33%	0.326	C	S	.	.	H	α-helix	trans	-62.1	-45.6	168.6	0	0	0	0	0	112.1	I690 E702 F703 R708 V709 V710	I690-A706 HydrophobicContact CB-CB 4.34Å; I690-A706 HydrophobicContact CD1-CB 4.27Å; I690-A706 HydrophobicContact CG1-CB 3.78Å; I690-A706 HydrophobicContact CG2-CB 3.89Å; E702-A706 PolarHBondContact O-N 2.95Å; F703-A706 PolarHBondContact O-N 2.87Å; A706-R708 PolarHBondContact O-N 3.43Å; A706-V709 WeakPolarHBondContact O-CB 3.25Å; A706-V709 PolarHBondContact O-N 3.49Å; A706-V710 PolarHBondContact O-N 3.42Å
707	F	48.5	Very low	53.2	Low	101 Å²	101	66.2 Å²	66.2	44%	0.443	34%	0.335	S	S	.	.	H	α-helix	trans	-63.1	-30.8	173.7	-70.2	-78.7	0	0	0	112.5	F703 L704 V709 V710 H711	F703-F707 HydrophobicContact CD1-CE2 4.11Å; F703-F707 HydrophobicContact CD2-CE2 4.38Å; F703-F707 HydrophobicContact CE1-CD2 4.46Å; F703-F707 AromaticContact CE1-CE2 3.69Å; F703-F707 HydrophobicContact CE1-CE2 3.69Å; F703-F707 AromaticContact CE2-CE2 3.98Å; F703-F707 HydrophobicContact CE2-CE2 3.98Å; F703-F707 HydrophobicContact CG-CE2 4.44Å; F703-F707 AromaticContact CZ-CE2 3.61Å; F703-F707 HydrophobicContact CZ-CE2 3.61Å; F703-F707 HydrophobicContact CZ-CZ 4.17Å; F703-F707 VanDerWaalsContact O-CD2 3.24Å; F703-F707 WeakPolarHBondContact O-CD2 3.23Å; L704-F707 PolarHBondContact O-N 3.33Å; F707-V709 VanDerWaalsContact C-N 3.27Å; F707-V709 PolarHBondContact O-N 2.82Å; F707-V710 PolarHBondContact O-N 2.8Å; F707-H711 PolarHBondContact O-N 3.48Å
708	R	45.8	Very low	51.6	Low	93 Å²	93	71 Å²	71	35%	0.351	35%	0.354	S	S	.	.	H	α-helix	trans	-64.5	-28.4	172.1	-172.9	-172.9	179.1	-149.5	5.3	112.8	L704 E705 A706 K712	L704-R708 PolarHBondContact O-N 3.48Å; E705-R708 VanDerWaalsContact CD-CD 3.44Å; E705-R708 WeakPolarHBondContact O-CB 3.35Å; E705-R708 PolarHBondContact O-N 2.9Å; E705-R708 IonicContact OE1-CZ 3.19Å; E705-R708 IonicContact OE1-NH1 2.73Å; E705-R708 PolarHBondContact OE1-NH1 3.41Å; E705-R708 WeakPolarHBondContact OE2-CD 3.47Å; E705-R708 IonicContact OE2-NE 3.69Å; E705-R708 IonicContact OE2-NH1 3.98Å; A706-R708 PolarHBondContact O-N 3.43Å; R708-K712 WeakPolarHBondContact O-CG 3.33Å; R708-K712 PolarHBondContact O-N 3.32Å
709	V	44.3	Very low	50	Low	71 Å²	71	76.2 Å²	76.2	43%	0.43	38%	0.378	S	S	.	.	H	α-helix	trans	-74.8	-46.7	175.5	176.3	0	0	0	0	111.1	E705 A706 F707 H711 K712 L713	E705-V709 PolarHBondContact O-N 2.91Å; A706-V709 WeakPolarHBondContact O-CB 3.25Å; A706-V709 PolarHBondContact O-N 3.49Å; F707-V709 VanDerWaalsContact C-N 3.27Å; F707-V709 PolarHBondContact O-N 2.82Å; V709-H711 PolarHBondContact O-N 3.1Å; V709-K712 WeakPolarHBondContact O-CB 3.45Å; V709-K712 PolarHBondContact O-N 3.31Å; V709-K712 VanDerWaalsContact O-N 3.12Å; V709-L713 HydrophobicContact CG1-CD1 4.32Å; V709-L713 PolarHBondContact O-N 3.02Å
710	V	41.8	Very low	48.6	Very low	83 Å²	83	79.1 Å²	79.1	50%	0.503	39%	0.393	S	S	.	.	H	α-helix	trans	-56.9	-52.2	179.3	-178.8	0	0	0	0	111	A706 F707 K712 L713 D714	A706-V710 PolarHBondContact O-N 3.42Å; F707-V710 PolarHBondContact O-N 2.8Å; V710-K712 PolarHBondContact O-N 3.13Å; V710-K712 VanDerWaalsContact O-N 3.14Å; V710-L713 WeakPolarHBondContact O-CA 3.4Å; V710-L713 WeakPolarHBondContact O-CB 3.45Å; V710-L713 PolarHBondContact O-N 2.78Å; V710-D714 PolarHBondContact O-N 3.06Å; V710-D714 VanDerWaalsContact O-N 3.09Å
711	H	39.5	Very low	47.4	Very low	83 Å²	83	79.6 Å²	79.6	38%	0.384	40%	0.402	S	S	.	.	H	α-helix	trans	-64.7	-22.7	-179.2	-163.2	-28.4	0	0	0	113	F707 V709 I715	F707-H711 PolarHBondContact O-N 3.48Å; V709-H711 PolarHBondContact O-N 3.1Å; H711-I715 WeakPolarHBondContact O-CD1 3.38Å; H711-I715 VanDerWaalsContact O-CG1 3.31Å; H711-I715 WeakPolarHBondContact O-CG1 3.42Å; H711-I715 PolarHBondContact O-N 3.26Å
712	K	39.7	Very low	46.7	Very low	116 Å²	116	81.1 Å²	81.1	50%	0.504	40%	0.403	S	S	.	.	H	α-helix	trans	-74.3	-29.7	171	-86.4	177	177.8	173.3	0	112.9	R708 V709 V710 K716	R708-K712 WeakPolarHBondContact O-CG 3.33Å; R708-K712 PolarHBondContact O-N 3.32Å; V709-K712 WeakPolarHBondContact O-CB 3.45Å; V709-K712 PolarHBondContact O-N 3.31Å; V709-K712 VanDerWaalsContact O-N 3.12Å; V710-K712 PolarHBondContact O-N 3.13Å; V710-K712 VanDerWaalsContact O-N 3.14Å; K712-K716 PolarHBondContact O-N 3.25Å
713	L	35.4	Very low	45.4	Very low	92 Å²	92	84.7 Å²	84.7	48%	0.482	42%	0.422	S	S	.	.	H	α-helix	trans	-74.4	-47.7	176	-65.7	169.8	0	0	0	110	V709 V710 I715 K716 D717	V709-L713 HydrophobicContact CG1-CD1 4.32Å; V709-L713 PolarHBondContact O-N 3.02Å; V710-L713 WeakPolarHBondContact O-CA 3.4Å; V710-L713 WeakPolarHBondContact O-CB 3.45Å; V710-L713 PolarHBondContact O-N 2.78Å; L713-I715 VanDerWaalsContact C-N 3.29Å; L713-I715 PolarHBondContact O-N 2.89Å; L713-K716 CarbonylContact O-C 3.58Å; L713-K716 WeakPolarHBondContact O-CA 3.18Å; L713-K716 WeakPolarHBondContact O-CB 3.43Å; L713-K716 PolarHBondContact O-N 3.08Å; L713-D717 PolarHBondContact O-N 3.05Å
714	D	39.5	Very low	44.4	Very low	85 Å²	85	86.5 Å²	86.5	46%	0.455	44%	0.439	S	S	.	.	H	α-helix	trans	-51.7	-46.3	175.1	-64.1	-38.2	0	0	0	112.4	V710 K716 D717 H718	V710-D714 PolarHBondContact O-N 3.06Å; V710-D714 VanDerWaalsContact O-N 3.09Å; D714-K716 VanDerWaalsContact C-N 3.32Å; D714-K716 PolarHBondContact O-N 3.12Å; D714-D717 PolarHBondContact O-N 3.46Å; D714-H718 WeakPolarHBondContact O-CB 3.3Å; D714-H718 PolarHBondContact O-CD2 2.94Å; D714-H718 PolarHBondContact O-N 3.49Å
715	I	43.3	Very low	43.7	Very low	81 Å²	81	89.7 Å²	89.7	42%	0.415	46%	0.456	S	S	.	.	H	α-helix	trans	-64.5	-37.2	177.3	-69.5	170.2	0	0	0	111.5	H711 L713 Q719	H711-I715 WeakPolarHBondContact O-CD1 3.38Å; H711-I715 VanDerWaalsContact O-CG1 3.31Å; H711-I715 WeakPolarHBondContact O-CG1 3.42Å; H711-I715 PolarHBondContact O-N 3.26Å; L713-I715 VanDerWaalsContact C-N 3.29Å; L713-I715 PolarHBondContact O-N 2.89Å; I715-Q719 WeakPolarHBondContact O-CB 3.49Å; I715-Q719 VanDerWaalsContact O-CG 3.25Å; I715-Q719 WeakPolarHBondContact O-CG 3.35Å; I715-Q719 PolarHBondContact O-N 3.47Å; I715-Q719 VanDerWaalsContact O-N 3.08Å
716	K	41.1	Very low	43.1	Very low	132 Å²	132	92 Å²	92	57%	0.574	47%	0.465	S	S	*	.	H	α-helix	trans	-70.1	-43.7	178.6	-115.6	-172.5	173.9	-168.9	0	111.8	K712 L713 D714 Q719 L720	K712-K716 PolarHBondContact O-N 3.25Å; L713-K716 CarbonylContact O-C 3.58Å; L713-K716 WeakPolarHBondContact O-CA 3.18Å; L713-K716 WeakPolarHBondContact O-CB 3.43Å; L713-K716 PolarHBondContact O-N 3.08Å; D714-K716 VanDerWaalsContact C-N 3.32Å; D714-K716 PolarHBondContact O-N 3.12Å; K716-Q719 CarbonylContact O-C 3.48Å; K716-Q719 PolarHBondContact O-N 2.79Å; K716-L720 VanDerWaalsContact O-CG 3.31Å; K716-L720 WeakPolarHBondContact O-CG 3.3Å; K716-L720 PolarHBondContact O-N 3.2Å
717	D	39.9	Very low	42.5	Very low	97 Å²	97	99.2 Å²	99.2	52%	0.519	50%	0.495	S	S	.	.	H	α-helix	trans	-71.5	-36.2	-176.9	-67.1	-18.2	0	0	0	110.8	L713 D714 L720 S721	L713-D717 PolarHBondContact O-N 3.05Å; D714-D717 PolarHBondContact O-N 3.46Å; D717-L720 PolarHBondContact O-N 3.1Å; D717-S721 PolarHBondContact O-N 2.88Å; D717-S721 PolarHBondContact O-OG 3.48Å
718	H	41.3	Very low	42.3	Very low	132 Å²	132	101.6 Å²	101.6	61%	0.611	51%	0.506	S	S	*	.	H	α-helix	trans	-61.3	-42.1	166.7	-79.7	-52	0	0	0	113	D714 L720 S721 E722	D714-H718 WeakPolarHBondContact O-CB 3.3Å; D714-H718 PolarHBondContact O-CD2 2.94Å; D714-H718 PolarHBondContact O-N 3.49Å; H718-L720 VanDerWaalsContact C-N 3.31Å; H718-L720 PolarHBondContact O-N 2.87Å; H718-S721 WeakPolarHBondContact CA-OG 3.41Å; H718-S721 PolarHBondContact O-N 3.21Å; H718-S721 PolarHBondContact O-OG 2.87Å; H718-E722 WeakPolarHBondContact O-CB 3.38Å; H718-E722 PolarHBondContact O-N 2.91Å
719	Q	42.3	Very low	42.3	Very low	112 Å²	112	102.8 Å²	102.8	52%	0.523	53%	0.527	S	S	.	.	H	α-helix	trans	-68.6	-27.7	175.2	-75.6	176	8.5	0	0	112.9	I715 K716 N723	I715-Q719 WeakPolarHBondContact O-CB 3.49Å; I715-Q719 VanDerWaalsContact O-CG 3.25Å; I715-Q719 WeakPolarHBondContact O-CG 3.35Å; I715-Q719 PolarHBondContact O-N 3.47Å; I715-Q719 VanDerWaalsContact O-N 3.08Å; K716-Q719 CarbonylContact O-C 3.48Å; K716-Q719 PolarHBondContact O-N 2.79Å; Q719-N723 PolarHBondContact O-N 2.83Å; Q719-N723 PolarHBondContact O-ND2 3.16Å
720	L	44.6	Very low	42.2	Very low	110 Å²	110	106.7 Å²	106.7	58%	0.576	57%	0.567	S	S	*	*	H	α-helix	trans	-75.2	-41.9	173.6	-72.5	166.7	0	0	0	111.3	K716 D717 H718 N723 A724	K716-L720 VanDerWaalsContact O-CG 3.31Å; K716-L720 WeakPolarHBondContact O-CG 3.3Å; K716-L720 PolarHBondContact O-N 3.2Å; D717-L720 PolarHBondContact O-N 3.1Å; H718-L720 VanDerWaalsContact C-N 3.31Å; H718-L720 PolarHBondContact O-N 2.87Å; L720-N723 PolarHBondContact O-N 3.32Å; L720-A724 WeakPolarHBondContact O-CB 3.31Å; L720-A724 PolarHBondContact O-N 3.35Å
721	S	42.2	Very low	42.2	Very low	57 Å²	57	107.9 Å²	107.9	40%	0.399	57%	0.57	S	S	.	*	H	α-helix	trans	-62.2	-43.9	173.2	59	0	0	0	0	112.1	D717 H718 N723 A724 D725	D717-S721 PolarHBondContact O-N 2.88Å; D717-S721 PolarHBondContact O-OG 3.48Å; H718-S721 WeakPolarHBondContact CA-OG 3.41Å; H718-S721 PolarHBondContact O-N 3.21Å; H718-S721 PolarHBondContact O-OG 2.87Å; S721-N723 PolarHBondContact O-N 3.31Å; S721-A724 PolarHBondContact O-N 3.03Å; S721-D725 PolarHBondContact O-N 2.99Å; S721-D725 VanDerWaalsContact O-N 3.15Å
722	E	43.3	Very low	42.3	Very low	125 Å²	125	109.2 Å²	109.2	58%	0.584	58%	0.58	S	S	*	*	H	α-helix	trans	-64.3	-21.5	179.3	-97.2	-153.7	-156.2	0	0	114.4	H718 K726	H718-E722 WeakPolarHBondContact O-CB 3.38Å; H718-E722 PolarHBondContact O-N 2.91Å; E722-K726 VanDerWaalsContact O-CD 3.23Å; E722-K726 WeakPolarHBondContact O-CD 3.3Å; E722-K726 VanDerWaalsContact O-CE 3.3Å; E722-K726 WeakPolarHBondContact O-CE 3.48Å; E722-K726 VanDerWaalsContact O-CG 3.28Å; E722-K726 WeakPolarHBondContact O-CG 3.48Å; E722-K726 PolarHBondContact O-NZ 3.17Å; E722-K726 IonicContact OE2-NZ 2.84Å; E722-K726 PolarHBondContact OE2-NZ 3.04Å
723	N	43.9	Very low	42.5	Very low	90 Å²	90	108.8 Å²	108.8	48%	0.481	58%	0.584	S	S	.	*	H	α-helix	trans	-93.5	-36.9	176.1	-73	-45	0	0	0	111.3	Q719 L720 S721 D725 K726 E727	Q719-N723 PolarHBondContact O-N 2.83Å; Q719-N723 PolarHBondContact O-ND2 3.16Å; L720-N723 PolarHBondContact O-N 3.32Å; S721-N723 PolarHBondContact O-N 3.31Å; N723-D725 PolarHBondContact O-N 2.86Å; N723-K726 PolarHBondContact O-N 3.04Å; N723-E727 PolarHBondContact O-N 3.24Å; N723-E727 VanDerWaalsContact O-N 3.15Å
724	A	42	Very low	42.9	Very low	46 Å²	46	109.8 Å²	109.8	38%	0.38	59%	0.59	S	S	.	*	H	α-helix	trans	-61.8	-28.8	175.1	0	0	0	0	0	113.5	L720 S721 K728	L720-A724 WeakPolarHBondContact O-CB 3.31Å; L720-A724 PolarHBondContact O-N 3.35Å; S721-A724 PolarHBondContact O-N 3.03Å; A724-K728 WeakPolarHBondContact O-CG 3.37Å
725	D	44.5	Very low	43.1	Very low	96 Å²	96	111.3 Å²	111.3	51%	0.513	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.2	-15	174	-71.9	-22.6	0	0	0	113.6	S721 N723 K728	S721-D725 PolarHBondContact O-N 2.99Å; S721-D725 VanDerWaalsContact O-N 3.15Å; N723-D725 PolarHBondContact O-N 2.86Å; D725-K728 IonicContact OD1-NZ 3.81Å; D725-K728 PolarHBondContact OD1-NZ 2.9Å
726	K	45.8	Very low	43.1	Very low	112 Å²	112	113.3 Å²	113.3	49%	0.487	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.4	-38.4	171.2	-72	170.5	-170.5	119.8	0	111.6	E722 N723 K728 C729	E722-K726 VanDerWaalsContact O-CD 3.23Å; E722-K726 WeakPolarHBondContact O-CD 3.3Å; E722-K726 VanDerWaalsContact O-CE 3.3Å; E722-K726 WeakPolarHBondContact O-CE 3.48Å; E722-K726 VanDerWaalsContact O-CG 3.28Å; E722-K726 WeakPolarHBondContact O-CG 3.48Å; E722-K726 PolarHBondContact O-NZ 3.17Å; E722-K726 IonicContact OE2-NZ 2.84Å; E722-K726 PolarHBondContact OE2-NZ 3.04Å; N723-K726 PolarHBondContact O-N 3.04Å; K726-K728 PolarHBondContact O-N 2.74Å; K726-C729 PolarHBondContact O-N 3.05Å
727	E	43.6	Very low	43.2	Very low	169 Å²	169	112 Å²	112	79%	0.79	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-12.3	175.5	-69	-169.3	142.7	0	0	114.2	N723	N723-E727 PolarHBondContact O-N 3.24Å; N723-E727 VanDerWaalsContact O-N 3.15Å
728	K	44.8	Very low	43.5	Very low	151 Å²	151	113.2 Å²	113.2	66%	0.657	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-4.4	172.2	-68.9	173.6	-162.3	151.2	0	114.3	A724 D725 K726	A724-K728 WeakPolarHBondContact O-CG 3.37Å; D725-K728 IonicContact OD1-NZ 3.81Å; D725-K728 PolarHBondContact OD1-NZ 2.9Å; K726-K728 PolarHBondContact O-N 2.74Å
729	C	46.1	Very low	43.7	Very low	118 Å²	118	111.6 Å²	111.6	80%	0.797	62%	0.621	S	S	*	*			trans	-124.2	25.7	-176.2	-73.3	0	0	0	0	112.5	K726	K726-C729 PolarHBondContact O-N 3.05Å
730	A	41.1	Very low	43.8	Very low	153 Å²	153	111.5 Å²	111.5	100%	1.264	63%	0.63	S	S	*	*			trans	-118.3	0	177.1	0	0	0	0	0	111

Retrieved 730 of 730 residues in 186.9 ms (Link to these results)

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