A0A087XT43_POEFO Loading...

Acetoacetyl-CoA synthetase

Converts acetoacetate to acetoacetyl-CoA in the cytosol.

AlphaFold DB , UniProt , Accession A0A087XT43, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 676 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	32.6	Very low	253 Å²	253	167.6 Å²	167.6	100%	1.246	88%	0.879	S	S	*	*				0	91.7	0	-77.3	172.1	177.8	0	0	106.5
2	S	32.1	Very low	33.3	Very low	113 Å²	113	166.9 Å²	166.9	79%	0.79	87%	0.874	S	S	*	*			trans	-90.2	145.3	172.8	57.7	0	0	0	0	109
3	K	29.8	Very low	34	Very low	192 Å²	192	164.4 Å²	164.4	84%	0.835	86%	0.858	S	S	*	*			trans	137.1	141.6	163.6	-82.6	-179.9	175.1	-172.5	0	108.6
4	D	30.8	Very low	34.2	Very low	154 Å²	154	164.1 Å²	164.1	82%	0.824	86%	0.857	S	S	*	*			trans	98.5	51.4	176.2	-48.9	-15.4	0	0	0	115.5
5	M	29.5	Very low	35	Very low	195 Å²	195	160.2 Å²	160.2	96%	0.961	84%	0.844	S	S	*	*			trans	-145.8	45.4	150.2	-83.3	-147.8	-68.2	0	0	111.6
6	E	32.2	Very low	36.3	Very low	198 Å²	198	161.8 Å²	161.8	93%	0.925	85%	0.845	S	S	*	*			trans	-130.2	122	163.9	-80.6	179.5	165.6	0	0	107.6
7	G	33.3	Very low	38.7	Very low	71 Å²	71	155.2 Å²	155.2	73%	0.732	82%	0.816	S	S	*	*			trans	123.6	74.8	175.2	0	0	0	0	0	113.5
8	K	31.8	Very low	41.6	Very low	193 Å²	193	152.9 Å²	152.9	84%	0.839	80%	0.798	S	S	*	*	S	Bend	trans	-157.7	12.5	158.4	-111.7	171	-165	-173.9	0	116.4
9	D	33.9	Very low	44.5	Very low	172 Å²	172	146.7 Å²	146.7	92%	0.92	77%	0.767	S	S	*	*	S	Bend	trans	-108.1	8.9	176.1	-92.4	-23	0	0	0	114.5
10	E	32.9	Very low	47	Very low	176 Å²	176	141.1 Å²	141.1	82%	0.822	74%	0.738	S	S	*	*			trans	-103.8	-0.4	-177	-77.3	-172.2	150.6	0	0	115.9	I12	E10-I12 PolarHBondContact O-N 2.95Å
11	T	34.2	Very low	49.4	Very low	127 Å²	127	136.2 Å²	136.2	78%	0.779	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	21.3	-166.7	37.9	0	0	0	0	117.2
12	I	41.6	Very low	52.1	Low	159 Å²	159	131.6 Å²	131.6	82%	0.815	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-15.8	164.9	-57.5	179	0	0	0	111.5	E10	E10-I12 PolarHBondContact O-N 2.95Å
13	M	41.7	Very low	55	Low	134 Å²	134	127.9 Å²	127.9	66%	0.66	65%	0.652	S	S	*	*	S	Bend	trans	-108	9.6	-168.3	-98.6	-170.2	70.2	0	0	116.8	K530	M13-K530 PolarHBondContact SD-NZ 2.78Å
14	D	36.8	Very low	57.7	Low	160 Å²	160	123.1 Å²	123.1	86%	0.856	64%	0.636	S	S	*	*			trans	-94.4	7.1	176.4	-139.8	20.3	0	0	0	113.8
15	T	46	Very low	60.1	Low	106 Å²	106	121.2 Å²	121.2	65%	0.65	64%	0.635	S	S	*	*	S	Bend	trans	-93.8	107.7	161.2	51.9	0	0	0	0	109.1	S17	T15-S17 PolarHBondContact O-N 2.91Å
16	E	56.9	Low	62.6	Low	186 Å²	186	120 Å²	120	87%	0.869	62%	0.624	S	S	*	*			trans	-38.4	135.7	167.2	-68.4	-179.6	140.1	0	0	111.3	K18	E16-K18 VanDerWaalsContact C-N 3.3Å; E16-K18 PolarHBondContact O-N 2.61Å
17	S	76.5	Confident	64.8	Low	49 Å²	49	117.7 Å²	117.7	34%	0.343	61%	0.607	S	S	.	*			trans	-55.5	92.5	174.4	-67.6	0	0	0	0	109.9	T15 V19 Y459 E462 N532	T15-S17 PolarHBondContact O-N 2.91Å; S17-V19 PolarHBondContact O-N 3.42Å; S17-Y459 WeakPolarHBondContact O-CD1 3.47Å; S17-E462 PolarHBondContact OG-OE1 3.36Å; S17-N532 PolarHBondContact OG-ND2 2.95Å; S17-N532 VanDerWaalsContact OG-ND2 3.07Å
18	K	90.9	Very high	67.5	Low	114 Å²	114	119.7 Å²	119.7	50%	0.496	60%	0.601	S	S	.	*			trans	-77.1	115.1	-174.4	-177.9	-175.9	175.8	-168.4	0	109.6	E16 L20 D424 R460	E16-K18 VanDerWaalsContact C-N 3.3Å; E16-K18 PolarHBondContact O-N 2.61Å; K18-L20 HydrophobicContact CD-CD2 4Å; K18-L20 HydrophobicContact CG-CD2 4.13Å; K18-D424 IonicContact NZ-OD1 2.86Å; K18-R460 HydrophobicContact CB-CB 4.27Å; K18-R460 PolarHBondContact O-N 3.03Å
19	V	96	Very high	70.5	Confident	35 Å²	35	111.1 Å²	111.1	21%	0.212	57%	0.565	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-69	132.8	170.5	-173.8	0	0	0	0	109.3	S17 W21 Y22 P457 Y459	S17-V19 PolarHBondContact O-N 3.42Å; V19-W21 WeakPolarHBondContact CG1-O 3.28Å; V19-Y22 HydrophobicContact CB-CE1 4.47Å; V19-Y22 HydrophobicContact CB-CE2 4.16Å; V19-Y22 HydrophobicContact CG1-CD1 4.17Å; V19-Y22 HydrophobicContact CG1-CD2 3.96Å; V19-Y22 HydrophobicContact CG1-CE1 3.78Å; V19-Y22 HydrophobicContact CG1-CE2 3.54Å; V19-Y22 HydrophobicContact CG1-CG 4.26Å; V19-Y22 VanDerWaalsContact CG1-CZ 3.45Å; V19-Y22 HydrophobicContact CG2-CE1 4.43Å; V19-P457 HydrophobicContact CG1-CB 3.81Å; V19-Y459 HydrophobicContact CB-CE1 4.42Å; V19-Y459 HydrophobicContact CG2-CD1 3.77Å; V19-Y459 HydrophobicContact CG2-CE1 3.25Å
20	L	95.9	Very high	73.6	Confident	35 Å²	35	104.8 Å²	104.8	18%	0.183	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	-23.9	178.2	-62.3	178.5	0	0	0	113.1	K18 Y423 Y427 V458 R460	K18-L20 HydrophobicContact CD-CD2 4Å; K18-L20 HydrophobicContact CG-CD2 4.13Å; L20-Y423 VanDerWaalsContact CD1-CB 3.46Å; L20-Y423 HydrophobicContact CD1-CD1 4.01Å; L20-Y423 HydrophobicContact CD1-CG 4.07Å; L20-Y427 HydrophobicContact CB-CD2 3.79Å; L20-Y427 HydrophobicContact CB-CE2 3.43Å; L20-Y427 VanDerWaalsContact CB-CE2 3.43Å; L20-Y427 HydrophobicContact CD1-CD2 3.9Å; L20-Y427 HydrophobicContact CD1-CE2 3.81Å; L20-Y427 HydrophobicContact CG-CD2 4.36Å; L20-Y427 HydrophobicContact CG-CE2 4.26Å; L20-V458 PolarHBondContact N-O 3.4Å; L20-R460 HydrophobicContact CD1-CB 3.67Å; L20-R460 HydrophobicContact CD1-CG 4.01Å; L20-R460 HydrophobicContact CG-CB 4.02Å
21	W	96.9	Very high	76.6	Confident	38 Å²	38	96.5 Å²	96.5	14%	0.144	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	146.4	177.8	176.7	99.4	0	0	0	110.6	V19 P23 Y427 T433 V434 L435 P457 V458	V19-W21 WeakPolarHBondContact CG1-O 3.28Å; W21-P23 VanDerWaalsContact CH2-CA 3.47Å; W21-P23 HydrophobicContact CH2-CB 4.34Å; W21-P23 HydrophobicContact CH2-CG 4.43Å; W21-P23 HydrophobicContact CZ3-CB 4.33Å; W21-P23 HydrophobicContact CZ3-CG 3.95Å; W21-Y427 HydrophobicContact CB-CE1 4Å; W21-Y427 VanDerWaalsContact CB-OH 3.26Å; W21-Y427 WeakPolarHBondContact CB-OH 3.38Å; W21-T433 PolarHBondContact NE1-O 2.76Å; W21-V434 VanDerWaalsContact CD1-O 3.3Å; W21-L435 HydrophobicContact CE3-CG 4.42Å; W21-L435 HydrophobicContact CH2-CB 4.43Å; W21-L435 HydrophobicContact CH2-CD1 3.69Å; W21-L435 HydrophobicContact CH2-CG 4.08Å; W21-L435 HydrophobicContact CZ2-CB 4.07Å; W21-L435 HydrophobicContact CZ2-CD1 4.13Å; W21-L435 HydrophobicContact CZ2-CG 4.23Å; W21-L435 HydrophobicContact CZ3-CD1 4.04Å; W21-L435 HydrophobicContact CZ3-CG 4.19Å; W21-P457 WeakPolarHBondContact O-CA 3.35Å; W21-V458 HydrophobicContact CB-CB 3.98Å; W21-V458 HydrophobicContact CB-CG2 4.07Å; W21-V458 HydrophobicContact CD2-CG2 4.33Å; W21-V458 HydrophobicContact CE3-CG2 3.83Å; W21-V458 HydrophobicContact CG-CG2 4.48Å; W21-V458 PolarHBondContact O-N 2.92Å
22	Y	95.3	Very high	79.6	Confident	157 Å²	157	91 Å²	91	62%	0.616	46%	0.457	S	S	*	.			trans	-117.8	144	177.8	-72.1	-86.3	0	0	0	110.8	V19 P457	V19-Y22 HydrophobicContact CB-CE1 4.47Å; V19-Y22 HydrophobicContact CB-CE2 4.16Å; V19-Y22 HydrophobicContact CG1-CD1 4.17Å; V19-Y22 HydrophobicContact CG1-CD2 3.96Å; V19-Y22 HydrophobicContact CG1-CE1 3.78Å; V19-Y22 HydrophobicContact CG1-CE2 3.54Å; V19-Y22 HydrophobicContact CG1-CG 4.26Å; V19-Y22 VanDerWaalsContact CG1-CZ 3.45Å; V19-Y22 HydrophobicContact CG2-CE1 4.43Å; Y22-P457 HydrophobicContact CD1-CB 4.47Å; Y22-P457 HydrophobicContact CD1-CG 4.28Å
23	P	92.4	Very high	82.3	Confident	34 Å²	34	87.4 Å²	87.4	22%	0.221	44%	0.435	C	S	.	.			trans	-54.4	153.8	169.7	-27.4	36.7	0	0	0	113.3	W21 S25 P454 T455 V456	W21-P23 VanDerWaalsContact CH2-CA 3.47Å; W21-P23 HydrophobicContact CH2-CB 4.34Å; W21-P23 HydrophobicContact CH2-CG 4.43Å; W21-P23 HydrophobicContact CZ3-CB 4.33Å; W21-P23 HydrophobicContact CZ3-CG 3.95Å; P23-S25 PolarHBondContact O-N 3.43Å; P23-P454 WeakPolarHBondContact CB-O 3.41Å; P23-T455 WeakPolarHBondContact CG-O 3.3Å; P23-V456 WeakPolarHBondContact CG-O 3.11Å
24	D	85.7	Confident	85	Confident	93 Å²	93	81 Å²	81	50%	0.497	40%	0.404	S	S	.	.			trans	-60.7	126.3	168	-175.1	-6.8	0	0	0	109.8	K26 R27	D24-K26 PolarHBondContact O-N 2.68Å; D24-K26 WeakPolarHBondContact OD1-CB 3.34Å; D24-K26 PolarHBondContact OD1-N 3.02Å; D24-R27 PolarHBondContact O-N 3.29Å
25	S	81.6	Confident	87.9	Confident	113 Å²	113	74.9 Å²	74.9	79%	0.79	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.3	179.3	60.3	0	0	0	0	113.3	P23 R27	P23-S25 PolarHBondContact O-N 3.43Å; S25-R27 VanDerWaalsContact C-N 3.26Å; S25-R27 PolarHBondContact O-N 3.21Å
26	K	83	Confident	90.4	Very high	169 Å²	169	74.5 Å²	74.5	74%	0.735	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-15.2	179.3	-66.3	178.3	-177.6	175.4	0	114.3	D24 N28	D24-K26 PolarHBondContact O-N 2.68Å; D24-K26 WeakPolarHBondContact OD1-CB 3.34Å; D24-K26 PolarHBondContact OD1-N 3.02Å; K26-N28 VanDerWaalsContact C-N 3.35Å; K26-N28 PolarHBondContact O-N 3.38Å
27	R	78.4	Confident	92.3	Very high	151 Å²	151	68.8 Å²	68.8	57%	0.57	34%	0.335	S	S	*	.			trans	47.7	49.2	177.6	-61.5	-171.3	-179.1	-166.5	-0.4	114.3	D24 S25 D32	D24-R27 PolarHBondContact O-N 3.29Å; S25-R27 VanDerWaalsContact C-N 3.26Å; S25-R27 PolarHBondContact O-N 3.21Å; R27-D32 VanDerWaalsContact CA-OD2 3.26Å; R27-D32 WeakPolarHBondContact CA-OD2 3.42Å; R27-D32 VanDerWaalsContact O-CB 3.24Å; R27-D32 WeakPolarHBondContact O-CB 3.29Å
28	N	89	Confident	93.4	Very high	112 Å²	112	66.4 Å²	66.4	60%	0.599	32%	0.318	S	S	*	.			trans	-111.2	26	-178.9	-169.3	24.8	0	0	0	112.7	K26 K33	K26-N28 VanDerWaalsContact C-N 3.35Å; K26-N28 PolarHBondContact O-N 3.38Å; N28-K33 WeakPolarHBondContact OD1-CE 3.35Å
29	T	95.9	Very high	93.7	Very high	14 Å²	14	62.3 Å²	62.3	9%	0.086	30%	0.302	C	S	.	.	S	Bend	trans	-73.3	162.2	178.2	67.6	0	0	0	0	110.6	M31 D32 K33 N324 P454 T455	T29-M31 PolarHBondContact O-N 3.32Å; T29-M31 WeakPolarHBondContact OG1-CB 3.5Å; T29-M31 PolarHBondContact OG1-N 2.69Å; T29-D32 PolarHBondContact N-OD2 2.89Å; T29-D32 PolarHBondContact O-N 2.9Å; T29-D32 VanDerWaalsContact O-N 3.15Å; T29-D32 PolarHBondContact OG1-N 2.86Å; T29-D32 PolarHBondContact OG1-OD2 3.25Å; T29-K33 WeakPolarHBondContact O-CG 3.41Å; T29-K33 PolarHBondContact O-N 3.4Å; T29-N324 WeakPolarHBondContact CA-OD1 3.43Å; T29-N324 WeakPolarHBondContact CB-OD1 3.31Å; T29-P454 HydrophobicContact CG2-CB 3.9Å; T29-P454 HydrophobicContact CG2-CG 4.05Å; T29-T455 HydrophobicContact CG2-CG2 4.35Å; T29-T455 WeakPolarHBondContact OG1-CG2 3.28Å
30	Q	97.3	Very high	93.8	Very high	38 Å²	38	64.9 Å²	64.9	18%	0.178	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-34.1	169.9	-63.3	-61.9	-9.4	0	0	111.5	K33 F34 I320 L321 N324	Q30-K33 PolarHBondContact O-N 2.93Å; Q30-F34 WeakPolarHBondContact O-CB 3.41Å; Q30-F34 PolarHBondContact O-N 3.41Å; Q30-I320 HydrophobicContact CB-CG2 4.02Å; Q30-I320 WeakPolarHBondContact CB-O 3.19Å; Q30-I320 HydrophobicContact CG-CG2 4.06Å; Q30-L321 HydrophobicContact CB-CD2 4.49Å; Q30-N324 PolarHBondContact N-OD1 3Å
31	M	97.6	Very high	93.9	Very high	3 Å²	3	66.7 Å²	66.7	2%	0.015	33%	0.331	C	S	.	.	H	α-helix	trans	-60.6	-43.9	172.7	-172	71.2	77.2	0	0	112	T29 F34 R35 Y49 L52 L321 P454 T455 L468	T29-M31 PolarHBondContact O-N 3.32Å; T29-M31 WeakPolarHBondContact OG1-CB 3.5Å; T29-M31 PolarHBondContact OG1-N 2.69Å; M31-F34 PolarHBondContact O-N 3.35Å; M31-R35 PolarHBondContact O-N 2.93Å; M31-Y49 HydrophobicContact CE-CD2 4.32Å; M31-Y49 HydrophobicContact CE-CE2 3.76Å; M31-Y49 HydrophobicContact CG-CD2 4.29Å; M31-Y49 HydrophobicContact SD-CD2 4.16Å; M31-Y49 HydrophobicContact SD-CE2 3.96Å; M31-L52 HydrophobicContact CG-CD2 4.49Å; M31-L52 HydrophobicContact SD-CD2 3.92Å; M31-L321 HydrophobicContact CE-CB 3.85Å; M31-L321 HydrophobicContact SD-CB 4.1Å; M31-P454 HydrophobicContact CB-CG 4.47Å; M31-T455 HydrophobicContact CB-CG2 3.71Å; M31-T455 HydrophobicContact CG-CG2 3.73Å; M31-L468 HydrophobicContact CE-CD1 4.11Å; M31-L468 HydrophobicContact SD-CD1 3.47Å; M31-L468 WeakPolarHBondContact SD-CD1 3.43Å; M31-L468 HydrophobicContact SD-CG 4.33Å
32	D	97.1	Very high	94	Very high	11 Å²	11	68.8 Å²	68.8	6%	0.059	34%	0.34	C	S	.	.	H	α-helix	trans	-65.9	-42.8	176.7	-71.2	-61.6	0	0	0	111.9	R27 T29 F34 R35 I36	R27-D32 VanDerWaalsContact CA-OD2 3.26Å; R27-D32 WeakPolarHBondContact CA-OD2 3.42Å; R27-D32 VanDerWaalsContact O-CB 3.24Å; R27-D32 WeakPolarHBondContact O-CB 3.29Å; T29-D32 PolarHBondContact N-OD2 2.89Å; T29-D32 PolarHBondContact O-N 2.9Å; T29-D32 VanDerWaalsContact O-N 3.15Å; T29-D32 PolarHBondContact OG1-N 2.86Å; T29-D32 PolarHBondContact OG1-OD2 3.25Å; D32-F34 VanDerWaalsContact C-N 3.35Å; D32-R35 PolarHBondContact O-N 2.88Å; D32-R35 IonicContact OD1-NH2 3.4Å; D32-I36 VanDerWaalsContact O-CG1 3.28Å; D32-I36 WeakPolarHBondContact O-CG1 3.29Å; D32-I36 PolarHBondContact O-N 3.49Å
33	K	97.6	Very high	94.1	Very high	84 Å²	84	64.5 Å²	64.5	37%	0.365	34%	0.343	S	S	.	.	H	α-helix	trans	-60.9	-45	176	-68.9	171.5	-173.7	172.3	0	111.3	N28 T29 Q30 I36 Q37 F70	N28-K33 WeakPolarHBondContact OD1-CE 3.35Å; T29-K33 WeakPolarHBondContact O-CG 3.41Å; T29-K33 PolarHBondContact O-N 3.4Å; Q30-K33 PolarHBondContact O-N 2.93Å; K33-I36 PolarHBondContact O-N 3.34Å; K33-Q37 WeakPolarHBondContact O-CB 3.45Å; K33-Q37 PolarHBondContact O-N 3.12Å; K33-F70 HydrophobicContact CB-CE2 4.3Å; K33-F70 HydrophobicContact CB-CZ 4.1Å
34	F	98.5	Very high	94.3	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-59.9	-47.2	175.3	-178.1	-98.5	0	0	0	111.5	Q30 M31 D32 I36 Q37 V38 L52 F63 E66 V67 F70 L321 L468	Q30-F34 WeakPolarHBondContact O-CB 3.41Å; Q30-F34 PolarHBondContact O-N 3.41Å; M31-F34 PolarHBondContact O-N 3.35Å; D32-F34 VanDerWaalsContact C-N 3.35Å; F34-I36 VanDerWaalsContact C-N 3.34Å; F34-I36 PolarHBondContact O-N 3.17Å; F34-Q37 WeakPolarHBondContact O-CB 3.37Å; F34-Q37 PolarHBondContact O-N 3.4Å; F34-V38 HydrophobicContact CD1-CG2 4.06Å; F34-V38 HydrophobicContact CE1-CG2 3.7Å; F34-V38 HydrophobicContact CE2-CG2 4.39Å; F34-V38 HydrophobicContact CZ-CG2 3.88Å; F34-V38 WeakPolarHBondContact O-CG2 3.43Å; F34-V38 PolarHBondContact O-N 2.79Å; F34-L52 HydrophobicContact CD1-CD1 4.23Å; F34-L52 HydrophobicContact CD1-CD2 4.19Å; F34-L52 HydrophobicContact CE1-CD1 4.14Å; F34-F63 HydrophobicContact CE1-CD2 4.05Å; F34-F63 AromaticContact CE1-CE2 3.76Å; F34-F63 HydrophobicContact CE1-CE2 3.76Å; F34-F63 AromaticContact CZ-CD2 3.94Å; F34-F63 HydrophobicContact CZ-CD2 3.94Å; F34-F63 AromaticContact CZ-CE2 3.79Å; F34-F63 HydrophobicContact CZ-CE2 3.79Å; F34-E66 HydrophobicContact CE2-CB 4.33Å; F34-E66 HydrophobicContact CE2-CG 3.73Å; F34-E66 HydrophobicContact CZ-CB 4.33Å; F34-E66 HydrophobicContact CZ-CG 3.96Å; F34-V67 HydrophobicContact CE2-CG2 4.07Å; F34-V67 HydrophobicContact CZ-CG2 3.84Å; F34-F70 HydrophobicContact CB-CD2 4.42Å; F34-F70 HydrophobicContact CB-CE1 4.2Å; F34-F70 HydrophobicContact CB-CE2 4.1Å; F34-F70 HydrophobicContact CB-CZ 3.99Å; F34-F70 HydrophobicContact CD2-CB 3.82Å; F34-F70 AromaticContact CD2-CD1 3.84Å; F34-F70 HydrophobicContact CD2-CD1 3.84Å; F34-F70 AromaticContact CD2-CD2 3.86Å; F34-F70 HydrophobicContact CD2-CD2 3.86Å; F34-F70 HydrophobicContact CD2-CE1 4.36Å; F34-F70 HydrophobicContact CD2-CE2 4.38Å; F34-F70 AromaticContact CD2-CG 3.57Å; F34-F70 HydrophobicContact CD2-CG 3.57Å; F34-F70 HydrophobicContact CE2-CB 4.01Å; F34-F70 HydrophobicContact CE2-CG 4.27Å; F34-L321 HydrophobicContact CB-CD2 3.66Å; F34-L321 HydrophobicContact CD1-CD1 4.08Å; F34-L321 HydrophobicContact CD2-CD1 4.19Å; F34-L321 HydrophobicContact CD2-CD2 4.16Å; F34-L321 HydrophobicContact CE1-CD1 4.29Å; F34-L321 HydrophobicContact CE2-CD1 4.38Å; F34-L321 HydrophobicContact CG-CD1 4.02Å; F34-L321 HydrophobicContact CG-CD2 3.91Å; F34-L321 HydrophobicContact CZ-CD1 4.44Å; F34-L468 HydrophobicContact CE1-CD1 4.49Å
35	R	98.1	Very high	94.9	Very high	31 Å²	31	68.3 Å²	68.3	12%	0.117	36%	0.361	C	S	.	.	H	α-helix	trans	-58.5	-44	176.4	-172.3	177.6	56.2	82.5	6.4	112.5	M31 D32 Q37 V38 N39 L46 A47 L52	M31-R35 PolarHBondContact O-N 2.93Å; D32-R35 PolarHBondContact O-N 2.88Å; D32-R35 IonicContact OD1-NH2 3.4Å; R35-Q37 VanDerWaalsContact C-N 3.33Å; R35-V38 PolarHBondContact O-N 3.08Å; R35-N39 PolarHBondContact O-N 2.97Å; R35-L46 HydrophobicContact CG-CB 4.12Å; R35-L46 PolarHBondContact NH1-O 3.4Å; R35-A47 PolarHBondContact NH1-O 3.36Å; R35-L52 HydrophobicContact CB-CD2 4.06Å; R35-L52 HydrophobicContact CG-CB 4.48Å; R35-L52 HydrophobicContact CG-CD1 4.46Å; R35-L52 HydrophobicContact CG-CD2 4.4Å
36	I	97.4	Very high	95.7	Very high	98 Å²	98	63.9 Å²	63.9	50%	0.503	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-42.4	178.2	-69.8	164.4	0	0	0	110.3	D32 K33 F34 N39 S40	D32-I36 VanDerWaalsContact O-CG1 3.28Å; D32-I36 WeakPolarHBondContact O-CG1 3.29Å; D32-I36 PolarHBondContact O-N 3.49Å; K33-I36 PolarHBondContact O-N 3.34Å; F34-I36 VanDerWaalsContact C-N 3.34Å; F34-I36 PolarHBondContact O-N 3.17Å; I36-N39 PolarHBondContact O-N 3.18Å; I36-S40 PolarHBondContact O-N 3.28Å
37	Q	97.8	Very high	96.3	Very high	65 Å²	65	58.5 Å²	58.5	30%	0.304	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-46	177.2	-170.8	63.3	57.2	0	0	111.6	K33 F34 R35 N39 S40 D41	K33-Q37 WeakPolarHBondContact O-CB 3.45Å; K33-Q37 PolarHBondContact O-N 3.12Å; F34-Q37 WeakPolarHBondContact O-CB 3.37Å; F34-Q37 PolarHBondContact O-N 3.4Å; R35-Q37 VanDerWaalsContact C-N 3.33Å; Q37-N39 VanDerWaalsContact C-N 3.34Å; Q37-N39 PolarHBondContact O-N 3.33Å; Q37-S40 WeakPolarHBondContact O-CB 3.05Å; Q37-S40 PolarHBondContact O-N 3.12Å; Q37-S40 VanDerWaalsContact O-N 3.13Å; Q37-D41 WeakPolarHBondContact CG-OD2 3.44Å; Q37-D41 PolarHBondContact NE2-OD1 2.72Å; Q37-D41 PolarHBondContact NE2-OD2 2.9Å; Q37-D41 PolarHBondContact O-N 3.38Å
38	V	98.4	Very high	97.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-57.2	-45.9	174	168.2	0	0	0	0	111.4	F34 R35 S40 D41 Y42 L44 L46 L52 W55 E66	F34-V38 HydrophobicContact CD1-CG2 4.06Å; F34-V38 HydrophobicContact CE1-CG2 3.7Å; F34-V38 HydrophobicContact CE2-CG2 4.39Å; F34-V38 HydrophobicContact CZ-CG2 3.88Å; F34-V38 WeakPolarHBondContact O-CG2 3.43Å; F34-V38 PolarHBondContact O-N 2.79Å; R35-V38 PolarHBondContact O-N 3.08Å; V38-S40 VanDerWaalsContact C-N 3.29Å; V38-S40 PolarHBondContact O-N 2.63Å; V38-D41 PolarHBondContact O-N 3.17Å; V38-Y42 HydrophobicContact CG1-CD2 4.14Å; V38-Y42 WeakPolarHBondContact O-CB 3.14Å; V38-Y42 WeakPolarHBondContact O-CD2 3.49Å; V38-Y42 PolarHBondContact O-N 2.86Å; V38-L44 HydrophobicContact CG1-CD1 4.1Å; V38-L46 HydrophobicContact CG1-CD1 3.61Å; V38-L52 HydrophobicContact CG2-CD1 4.45Å; V38-W55 HydrophobicContact CB-CH2 4.37Å; V38-W55 HydrophobicContact CB-CZ3 4.23Å; V38-W55 HydrophobicContact CG1-CD2 3.98Å; V38-W55 HydrophobicContact CG1-CE3 3.71Å; V38-W55 HydrophobicContact CG1-CH2 3.58Å; V38-W55 HydrophobicContact CG1-CZ2 3.87Å; V38-W55 HydrophobicContact CG1-CZ3 3.48Å; V38-W55 VanDerWaalsContact CG1-CZ3 3.48Å; V38-W55 HydrophobicContact CG2-CE3 4.46Å; V38-W55 HydrophobicContact CG2-CH2 3.84Å; V38-W55 HydrophobicContact CG2-CZ3 3.6Å; V38-E66 HydrophobicContact CG2-CG 3.82Å
39	N	98.4	Very high	97.4	Very high	28 Å²	28	49.7 Å²	49.7	15%	0.15	28%	0.279	C	S	.	.	H	α-helix	trans	-58.7	-42.7	176.4	-79	-19.7	0	0	0	112	R35 I36 Q37 G43 L44 L46	R35-N39 PolarHBondContact O-N 2.97Å; I36-N39 PolarHBondContact O-N 3.18Å; Q37-N39 VanDerWaalsContact C-N 3.34Å; Q37-N39 PolarHBondContact O-N 3.33Å; N39-G43 CarbonylContact O-C 3.51Å; N39-G43 WeakPolarHBondContact O-CA 3.2Å; N39-G43 PolarHBondContact O-N 3.47Å; N39-L44 VanDerWaalsContact CB-O 3.3Å; N39-L44 WeakPolarHBondContact CB-O 3.25Å; N39-L44 VanDerWaalsContact CG-O 3.3Å; N39-L44 PolarHBondContact O-N 3.49Å; N39-L44 VanDerWaalsContact OD1-C 3.28Å; N39-L44 PolarHBondContact OD1-O 3.07Å; N39-L46 PolarHBondContact ND2-O 3.31Å; N39-L46 VanDerWaalsContact OD1-CB 3.27Å; N39-L46 WeakPolarHBondContact OD1-CB 3.49Å; N39-L46 VanDerWaalsContact OD1-CG 3.24Å; N39-L46 WeakPolarHBondContact OD1-CG 3.27Å; N39-L46 PolarHBondContact OD1-N 2.91Å
40	S	97.9	Very high	97.5	Very high	88 Å²	88	53.7 Å²	53.7	62%	0.615	30%	0.3	S	S	*	.	H	α-helix	trans	-64.8	-49.7	178.1	-178.4	0	0	0	0	112.1	I36 Q37 V38	I36-S40 PolarHBondContact O-N 3.28Å; Q37-S40 WeakPolarHBondContact O-CB 3.05Å; Q37-S40 PolarHBondContact O-N 3.12Å; Q37-S40 VanDerWaalsContact O-N 3.13Å; V38-S40 VanDerWaalsContact C-N 3.29Å; V38-S40 PolarHBondContact O-N 2.63Å
41	D	97.8	Very high	97.5	Very high	74 Å²	74	54.6 Å²	54.6	40%	0.396	31%	0.306	S	S	.	.	H	α-helix	trans	-76.1	-30.9	-170.1	-66.1	-16.6	0	0	0	113.1	Q37 V38 R69	Q37-D41 WeakPolarHBondContact CG-OD2 3.44Å; Q37-D41 PolarHBondContact NE2-OD1 2.72Å; Q37-D41 PolarHBondContact NE2-OD2 2.9Å; Q37-D41 PolarHBondContact O-N 3.38Å; V38-D41 PolarHBondContact O-N 3.17Å; D41-R69 IonicContact OD2-CZ 2.99Å; D41-R69 IonicContact OD2-NH2 3.91Å; D41-R69 PolarHBondContact OD2-NH2 2.69Å
42	Y	97.9	Very high	97.6	Very high	82 Å²	82	54.5 Å²	54.5	32%	0.322	31%	0.305	S	S	.	.	H	α-helix	trans	-107.9	2.8	-177.3	-62.5	-84.3	0	0	0	113.5	V38 L44 W55 E62 E66	V38-Y42 HydrophobicContact CG1-CD2 4.14Å; V38-Y42 WeakPolarHBondContact O-CB 3.14Å; V38-Y42 WeakPolarHBondContact O-CD2 3.49Å; V38-Y42 PolarHBondContact O-N 2.86Å; Y42-L44 VanDerWaalsContact C-N 3.32Å; Y42-L44 PolarHBondContact O-N 3.47Å; Y42-W55 HydrophobicContact CD1-CZ2 4.43Å; Y42-W55 HydrophobicContact CD2-CH2 4.15Å; Y42-W55 AromaticContact CD2-CZ2 3.82Å; Y42-W55 HydrophobicContact CD2-CZ2 3.82Å; Y42-W55 HydrophobicContact CE1-CZ2 4.46Å; Y42-W55 AromaticContact CE2-CH2 3.92Å; Y42-W55 HydrophobicContact CE2-CH2 3.92Å; Y42-W55 AromaticContact CE2-CZ2 3.86Å; Y42-W55 HydrophobicContact CE2-CZ2 3.86Å; Y42-W55 HydrophobicContact CG-CZ2 4.12Å; Y42-E62 HydrophobicContact CE1-CB 3.72Å; Y42-E62 HydrophobicContact CE1-CG 3.8Å; Y42-E62 PolarHBondContact OH-O 2.8Å; Y42-E66 HydrophobicContact CE2-CB 4.26Å; Y42-E66 HydrophobicContact CE2-CG 4.24Å
43	G	97.8	Very high	97.7	Very high	66 Å²	66	54.3 Å²	54.3	68%	0.68	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	35.1	-179.8	0	0	0	0	0	113.7	N39	N39-G43 CarbonylContact O-C 3.51Å; N39-G43 WeakPolarHBondContact O-CA 3.2Å; N39-G43 PolarHBondContact O-N 3.47Å
44	L	97.9	Very high	97.7	Very high	52 Å²	52	54.7 Å²	54.7	27%	0.272	31%	0.307	S	S	.	.			trans	-99.7	166.4	-176.5	-57.8	173.9	0	0	0	112	V38 N39 Y42 L46 W55	V38-L44 HydrophobicContact CG1-CD1 4.1Å; N39-L44 VanDerWaalsContact CB-O 3.3Å; N39-L44 WeakPolarHBondContact CB-O 3.25Å; N39-L44 VanDerWaalsContact CG-O 3.3Å; N39-L44 PolarHBondContact O-N 3.49Å; N39-L44 VanDerWaalsContact OD1-C 3.28Å; N39-L44 PolarHBondContact OD1-O 3.07Å; Y42-L44 VanDerWaalsContact C-N 3.32Å; Y42-L44 PolarHBondContact O-N 3.47Å; L44-L46 HydrophobicContact CB-CD2 4.48Å; L44-L46 HydrophobicContact CB-CG 4.05Å; L44-L46 HydrophobicContact CD1-CD1 4.13Å; L44-L46 HydrophobicContact CD1-CD2 4.45Å; L44-L46 HydrophobicContact CD1-CG 4.32Å; L44-W55 HydrophobicContact CD1-CD2 4.25Å; L44-W55 HydrophobicContact CD1-CG 4.04Å
45	N	97.4	Very high	97.7	Very high	156 Å²	156	55.8 Å²	55.8	83%	0.834	31%	0.311	S	S	*	.			trans	-126.5	47.2	176.5	-70.8	-53	0	0	0	111.6	A47	N45-A47 PolarHBondContact O-N 2.86Å; N45-A47 VanDerWaalsContact O-N 3.16Å
46	L	97.9	Very high	97.7	Very high	20 Å²	20	54.3 Å²	54.3	11%	0.105	31%	0.305	C	S	.	.			trans	-63.8	113.7	177.4	-51.5	174.1	0	0	0	108.8	R35 V38 N39 L44 D51 L52 W55	R35-L46 HydrophobicContact CG-CB 4.12Å; R35-L46 PolarHBondContact NH1-O 3.4Å; V38-L46 HydrophobicContact CG1-CD1 3.61Å; N39-L46 PolarHBondContact ND2-O 3.31Å; N39-L46 VanDerWaalsContact OD1-CB 3.27Å; N39-L46 WeakPolarHBondContact OD1-CB 3.49Å; N39-L46 VanDerWaalsContact OD1-CG 3.24Å; N39-L46 WeakPolarHBondContact OD1-CG 3.27Å; N39-L46 PolarHBondContact OD1-N 2.91Å; L44-L46 HydrophobicContact CB-CD2 4.48Å; L44-L46 HydrophobicContact CB-CG 4.05Å; L44-L46 HydrophobicContact CD1-CD1 4.13Å; L44-L46 HydrophobicContact CD1-CD2 4.45Å; L44-L46 HydrophobicContact CD1-CG 4.32Å; L46-D51 HydrophobicContact CB-CB 4.01Å; L46-D51 HydrophobicContact CD2-CB 3.9Å; L46-L52 HydrophobicContact CD1-CD1 3.85Å; L46-W55 HydrophobicContact CD1-CB 4.16Å; L46-W55 HydrophobicContact CD1-CD2 4.39Å; L46-W55 HydrophobicContact CD1-CE3 4.47Å; L46-W55 HydrophobicContact CD1-CG 4.25Å; L46-W55 HydrophobicContact CD2-CB 4.09Å
47	A	96.1	Very high	97.8	Very high	55 Å²	55	50.1 Å²	50.1	46%	0.455	28%	0.284	S	S	.	.			trans	-90.9	-29.5	-170.3	0	0	0	0	0	113	R35 N45 D51	R35-A47 PolarHBondContact NH1-O 3.36Å; N45-A47 PolarHBondContact O-N 2.86Å; N45-A47 VanDerWaalsContact O-N 3.16Å; A47-D51 WeakPolarHBondContact CA-OD2 3.28Å; A47-D51 WeakPolarHBondContact CB-OD2 3.19Å; A47-D51 PolarHBondContact N-OD2 3.17Å
48	N	94.6	Very high	97.8	Very high	65 Å²	65	51.8 Å²	51.8	35%	0.348	30%	0.295	S	S	.	.	S	Bend	trans	-145.5	-179.2	-173.9	65.1	71	0	0	0	111.8	N50 D51 L52	N48-N50 VanDerWaalsContact C-N 3.34Å; N48-N50 PolarHBondContact O-N 3.38Å; N48-N50 WeakPolarHBondContact OD1-CA 3.32Å; N48-N50 VanDerWaalsContact OD1-CB 3.27Å; N48-N50 WeakPolarHBondContact OD1-CB 3.42Å; N48-N50 PolarHBondContact OD1-N 3.4Å; N48-D51 PolarHBondContact N-OD2 2.9Å; N48-D51 PolarHBondContact ND2-OD1 3.45Å; N48-D51 PolarHBondContact ND2-OD2 3.44Å; N48-D51 VanDerWaalsContact ND2-OD2 3.09Å; N48-D51 PolarHBondContact O-N 3Å; N48-D51 PolarHBondContact OD1-N 2.77Å; N48-L52 PolarHBondContact O-N 3.38Å
49	Y	96.9	Very high	97.8	Very high	13 Å²	13	53.5 Å²	53.5	5%	0.051	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-35.5	-179.3	-178.5	-98	0	0	0	113.5	M31 L52 Y53 H322 N453 V456 R466 L468	M31-Y49 HydrophobicContact CE-CD2 4.32Å; M31-Y49 HydrophobicContact CE-CE2 3.76Å; M31-Y49 HydrophobicContact CG-CD2 4.29Å; M31-Y49 HydrophobicContact SD-CD2 4.16Å; M31-Y49 HydrophobicContact SD-CE2 3.96Å; Y49-L52 PolarHBondContact O-N 3.35Å; Y49-Y53 VanDerWaalsContact O-CB 3.31Å; Y49-Y53 WeakPolarHBondContact O-CB 3.32Å; Y49-Y53 PolarHBondContact O-N 3.44Å; Y49-H322 PolarHBondContact OH-CE1 3.32Å; Y49-H322 VanDerWaalsContact OH-CE1 3.26Å; Y49-N453 VanDerWaalsContact CD1-ND2 3.3Å; Y49-N453 WeakPolarHBondContact CD1-ND2 3.44Å; Y49-N453 WeakPolarHBondContact CD2-ND2 3.24Å; Y49-N453 VanDerWaalsContact CE1-ND2 3.32Å; Y49-N453 WeakPolarHBondContact CE1-ND2 3.3Å; Y49-N453 WeakPolarHBondContact CE2-ND2 3.35Å; Y49-V456 HydrophobicContact CD1-CG1 4.31Å; Y49-V456 HydrophobicContact CG-CG1 4.22Å; Y49-R466 PolarHBondContact OH-O 3.05Å; Y49-L468 HydrophobicContact CD2-CD2 4.44Å; Y49-L468 HydrophobicContact CE2-CD1 4.42Å; Y49-L468 HydrophobicContact CE2-CD2 3.62Å; Y49-L468 HydrophobicContact CE2-CG 3.87Å; Y49-L468 PolarHBondContact OH-N 2.94Å
50	N	96.8	Very high	97.8	Very high	98 Å²	98	53 Å²	53	52%	0.524	30%	0.304	S	S	.	.	H	α-helix	trans	-66.4	-40.5	179.8	-66.1	-22.9	0	0	0	111.3	N48 L52 Y53 Q54	N48-N50 VanDerWaalsContact C-N 3.34Å; N48-N50 PolarHBondContact O-N 3.38Å; N48-N50 WeakPolarHBondContact OD1-CA 3.32Å; N48-N50 VanDerWaalsContact OD1-CB 3.27Å; N48-N50 WeakPolarHBondContact OD1-CB 3.42Å; N48-N50 PolarHBondContact OD1-N 3.4Å; N50-L52 VanDerWaalsContact C-N 3.33Å; N50-L52 PolarHBondContact O-N 3.23Å; N50-Y53 PolarHBondContact O-N 2.84Å; N50-Q54 WeakPolarHBondContact O-CB 3.49Å; N50-Q54 PolarHBondContact O-N 3.29Å
51	D	98.3	Very high	97.8	Very high	57 Å²	57	49.8 Å²	49.8	31%	0.305	28%	0.281	S	S	.	.	H	α-helix	trans	-62.3	-44.1	175.3	-52.2	-23.1	0	0	0	110.4	L46 A47 N48 Q54 W55	L46-D51 HydrophobicContact CB-CB 4.01Å; L46-D51 HydrophobicContact CD2-CB 3.9Å; A47-D51 WeakPolarHBondContact CA-OD2 3.28Å; A47-D51 WeakPolarHBondContact CB-OD2 3.19Å; A47-D51 PolarHBondContact N-OD2 3.17Å; N48-D51 PolarHBondContact N-OD2 2.9Å; N48-D51 PolarHBondContact ND2-OD1 3.45Å; N48-D51 PolarHBondContact ND2-OD2 3.44Å; N48-D51 VanDerWaalsContact ND2-OD2 3.09Å; N48-D51 PolarHBondContact O-N 3Å; N48-D51 PolarHBondContact OD1-N 2.77Å; D51-Q54 PolarHBondContact O-N 2.95Å; D51-W55 WeakPolarHBondContact O-CB 3.31Å; D51-W55 PolarHBondContact O-N 3.04Å
52	L	98.6	Very high	97.8	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-42.4	176.7	-178.6	66.4	0	0	0	112.4	M31 F34 R35 V38 L46 N48 Y49 N50 W55 S56 L468	M31-L52 HydrophobicContact CG-CD2 4.49Å; M31-L52 HydrophobicContact SD-CD2 3.92Å; F34-L52 HydrophobicContact CD1-CD1 4.23Å; F34-L52 HydrophobicContact CD1-CD2 4.19Å; F34-L52 HydrophobicContact CE1-CD1 4.14Å; R35-L52 HydrophobicContact CB-CD2 4.06Å; R35-L52 HydrophobicContact CG-CB 4.48Å; R35-L52 HydrophobicContact CG-CD1 4.46Å; R35-L52 HydrophobicContact CG-CD2 4.4Å; V38-L52 HydrophobicContact CG2-CD1 4.45Å; L46-L52 HydrophobicContact CD1-CD1 3.85Å; N48-L52 PolarHBondContact O-N 3.38Å; Y49-L52 PolarHBondContact O-N 3.35Å; N50-L52 VanDerWaalsContact C-N 3.33Å; N50-L52 PolarHBondContact O-N 3.23Å; L52-W55 HydrophobicContact CD1-CE3 4.09Å; L52-W55 HydrophobicContact CD1-CZ3 4.48Å; L52-W55 PolarHBondContact O-N 3.29Å; L52-S56 WeakPolarHBondContact O-CB 3.39Å; L52-S56 PolarHBondContact O-N 3.45Å; L52-L468 HydrophobicContact CD2-CD1 3.78Å; L52-L468 HydrophobicContact CD2-CD2 4.21Å; L52-L468 HydrophobicContact CG-CD1 4.16Å; L52-L468 HydrophobicContact CG-CD2 3.94Å
53	Y	98.6	Very high	97.9	Very high	8 Å²	8	46.4 Å²	46.4	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-49.8	175.2	172	-94.7	0	0	0	110.8	Y49 N50 W55 S56 V57 R466 N467 L468 M470 V472	Y49-Y53 VanDerWaalsContact O-CB 3.31Å; Y49-Y53 WeakPolarHBondContact O-CB 3.32Å; Y49-Y53 PolarHBondContact O-N 3.44Å; N50-Y53 PolarHBondContact O-N 2.84Å; Y53-W55 PolarHBondContact O-N 2.91Å; Y53-S56 PolarHBondContact O-N 2.94Å; Y53-S56 VanDerWaalsContact O-N 3.1Å; Y53-S56 PolarHBondContact O-OG 3.02Å; Y53-V57 HydrophobicContact CE2-CG1 4.14Å; Y53-V57 PolarHBondContact O-N 2.89Å; Y53-R466 HydrophobicContact CD2-CB 4.23Å; Y53-R466 VanDerWaalsContact CE1-CZ 3.42Å; Y53-R466 HydrophobicContact CE2-CB 3.52Å; Y53-N467 WeakPolarHBondContact CE2-O 3.42Å; Y53-L468 HydrophobicContact CD2-CD2 4.49Å; Y53-M470 WeakPolarHBondContact CE2-O 3.43Å; Y53-M470 PolarHBondContact OH-O 2.68Å; Y53-V472 PolarHBondContact OH-N 3.09Å
54	Q	98.4	Very high	97.9	Very high	91 Å²	91	43.2 Å²	43.2	43%	0.425	23%	0.233	S	C	.	.	H	α-helix	trans	-60.5	-46.6	180	-168.6	59.2	48.8	0	0	111.2	N50 D51 S56 V57 D58	N50-Q54 WeakPolarHBondContact O-CB 3.49Å; N50-Q54 PolarHBondContact O-N 3.29Å; D51-Q54 PolarHBondContact O-N 2.95Å; Q54-S56 VanDerWaalsContact C-N 3.32Å; Q54-S56 PolarHBondContact O-N 3.33Å; Q54-V57 WeakPolarHBondContact O-CG2 3.13Å; Q54-V57 PolarHBondContact O-N 3.41Å; Q54-D58 WeakPolarHBondContact CG-OD2 3.37Å; Q54-D58 PolarHBondContact NE2-OD1 3.48Å; Q54-D58 PolarHBondContact NE2-OD2 2.92Å; Q54-D58 WeakPolarHBondContact O-CB 3.43Å; Q54-D58 VanDerWaalsContact O-CG 3.3Å; Q54-D58 PolarHBondContact O-N 3.46Å
55	W	98.8	Very high	98	Very high	23 Å²	23	41.5 Å²	41.5	9%	0.087	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-42.2	173.7	176.7	74.9	0	0	0	112.4	V38 Y42 L44 L46 D51 L52 Y53 V57 D58 S59 E62 F63	V38-W55 HydrophobicContact CB-CH2 4.37Å; V38-W55 HydrophobicContact CB-CZ3 4.23Å; V38-W55 HydrophobicContact CG1-CD2 3.98Å; V38-W55 HydrophobicContact CG1-CE3 3.71Å; V38-W55 HydrophobicContact CG1-CH2 3.58Å; V38-W55 HydrophobicContact CG1-CZ2 3.87Å; V38-W55 HydrophobicContact CG1-CZ3 3.48Å; V38-W55 VanDerWaalsContact CG1-CZ3 3.48Å; V38-W55 HydrophobicContact CG2-CE3 4.46Å; V38-W55 HydrophobicContact CG2-CH2 3.84Å; V38-W55 HydrophobicContact CG2-CZ3 3.6Å; Y42-W55 HydrophobicContact CD1-CZ2 4.43Å; Y42-W55 HydrophobicContact CD2-CH2 4.15Å; Y42-W55 AromaticContact CD2-CZ2 3.82Å; Y42-W55 HydrophobicContact CD2-CZ2 3.82Å; Y42-W55 HydrophobicContact CE1-CZ2 4.46Å; Y42-W55 AromaticContact CE2-CH2 3.92Å; Y42-W55 HydrophobicContact CE2-CH2 3.92Å; Y42-W55 AromaticContact CE2-CZ2 3.86Å; Y42-W55 HydrophobicContact CE2-CZ2 3.86Å; Y42-W55 HydrophobicContact CG-CZ2 4.12Å; L44-W55 HydrophobicContact CD1-CD2 4.25Å; L44-W55 HydrophobicContact CD1-CG 4.04Å; L46-W55 HydrophobicContact CD1-CB 4.16Å; L46-W55 HydrophobicContact CD1-CD2 4.39Å; L46-W55 HydrophobicContact CD1-CE3 4.47Å; L46-W55 HydrophobicContact CD1-CG 4.25Å; L46-W55 HydrophobicContact CD2-CB 4.09Å; D51-W55 WeakPolarHBondContact O-CB 3.31Å; D51-W55 PolarHBondContact O-N 3.04Å; L52-W55 HydrophobicContact CD1-CE3 4.09Å; L52-W55 HydrophobicContact CD1-CZ3 4.48Å; L52-W55 PolarHBondContact O-N 3.29Å; Y53-W55 PolarHBondContact O-N 2.91Å; W55-V57 PolarHBondContact O-N 2.88Å; W55-D58 PolarHBondContact O-N 3.14Å; W55-S59 PolarHBondContact O-N 3.16Å; W55-E62 HydrophobicContact CZ2-CB 4Å; W55-F63 HydrophobicContact CE3-CB 4.43Å; W55-F63 HydrophobicContact CE3-CD2 4.37Å; W55-F63 HydrophobicContact CH2-CB 4.14Å; W55-F63 HydrophobicContact CZ3-CB 3.92Å; W55-F63 AromaticContact CZ3-CD2 3.83Å; W55-F63 HydrophobicContact CZ3-CD2 3.83Å; W55-F63 HydrophobicContact CZ3-CG 4.39Å
56	S	98.8	Very high	98	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.9	-23.9	-178.5	77	0	0	0	0	114.4	L52 Y53 Q54 Y60 F63 G469	L52-S56 WeakPolarHBondContact O-CB 3.39Å; L52-S56 PolarHBondContact O-N 3.45Å; Y53-S56 PolarHBondContact O-N 2.94Å; Y53-S56 VanDerWaalsContact O-N 3.1Å; Y53-S56 PolarHBondContact O-OG 3.02Å; Q54-S56 VanDerWaalsContact C-N 3.32Å; Q54-S56 PolarHBondContact O-N 3.33Å; S56-Y60 WeakPolarHBondContact O-CA 3.47Å; S56-F63 VanDerWaalsContact CB-CD2 3.47Å; S56-G469 PolarHBondContact OG-N 3.44Å
57	V	98.3	Very high	98.1	Very high	10 Å²	10	33.4 Å²	33.4	6%	0.061	18%	0.182	C	C	.	.	H	α-helix	trans	-98.9	-30.4	179.4	-60.2	0	0	0	0	112.5	Y53 Q54 W55 A471	Y53-V57 HydrophobicContact CE2-CG1 4.14Å; Y53-V57 PolarHBondContact O-N 2.89Å; Q54-V57 WeakPolarHBondContact O-CG2 3.13Å; Q54-V57 PolarHBondContact O-N 3.41Å; W55-V57 PolarHBondContact O-N 2.88Å; V57-A471 HydrophobicContact CB-CB 4.05Å; V57-A471 HydrophobicContact CG1-CB 4.04Å
58	D	98.3	Very high	98.2	Very high	100 Å²	100	31.8 Å²	31.8	54%	0.535	17%	0.165	S	C	.	.	H	α-helix	trans	-79.3	-41.6	178.1	-68.8	-19	0	0	0	111.8	Q54 W55	Q54-D58 WeakPolarHBondContact CG-OD2 3.37Å; Q54-D58 PolarHBondContact NE2-OD1 3.48Å; Q54-D58 PolarHBondContact NE2-OD2 2.92Å; Q54-D58 WeakPolarHBondContact O-CB 3.43Å; Q54-D58 VanDerWaalsContact O-CG 3.3Å; Q54-D58 PolarHBondContact O-N 3.46Å; W55-D58 PolarHBondContact O-N 3.14Å
59	S	98.3	Very high	98.4	Very high	37 Å²	37	34.5 Å²	34.5	26%	0.259	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	50.4	178.3	-52.7	0	0	0	0	110.4	W55 P61 E62 F63	W55-S59 PolarHBondContact O-N 3.16Å; S59-P61 VanDerWaalsContact C-CD 3.44Å; S59-E62 PolarHBondContact O-N 2.89Å; S59-F63 WeakPolarHBondContact O-CB 3.25Å; S59-F63 PolarHBondContact O-N 2.93Å
60	Y	97.9	Very high	98.4	Very high	18 Å²	18	36.4 Å²	36.4	7%	0.071	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-34.7	-172.7	69.1	-86.9	0	0	0	114.6	S56 F63 W64 V83 V85 W95 K493	S56-Y60 WeakPolarHBondContact O-CA 3.47Å; Y60-F63 PolarHBondContact O-N 3.13Å; Y60-W64 WeakPolarHBondContact O-CB 3.39Å; Y60-W64 PolarHBondContact O-N 3.11Å; Y60-V83 HydrophobicContact CD2-CG1 4.04Å; Y60-V83 HydrophobicContact CE2-CG1 3.49Å; Y60-V83 VanDerWaalsContact CE2-CG1 3.49Å; Y60-V83 HydrophobicContact CE2-CG2 4.49Å; Y60-V85 WeakPolarHBondContact OH-CA 3.18Å; Y60-W95 AromaticContact CD2-CH2 3.76Å; Y60-W95 HydrophobicContact CD2-CH2 3.76Å; Y60-W95 HydrophobicContact CD2-CZ3 4.42Å; Y60-W95 HydrophobicContact CE2-CH2 4.15Å; Y60-K493 HydrophobicContact CE1-CD 4.4Å
61	P	98.3	Very high	98.5	Very high	20 Å²	20	32.1 Å²	32.1	13%	0.13	16%	0.156	C	C	.	.	H	α-helix	trans	-62.4	-46	174.1	-20.7	33.7	0	0	0	112.1	S59 W64 A65 V82 V83 V85	S59-P61 VanDerWaalsContact C-CD 3.44Å; P61-W64 PolarHBondContact O-N 2.79Å; P61-A65 WeakPolarHBondContact O-CB 3.3Å; P61-A65 PolarHBondContact O-N 3.39Å; P61-V82 HydrophobicContact CB-CB 4.39Å; P61-V82 HydrophobicContact CB-CG1 4.46Å; P61-V83 HydrophobicContact CB-CG1 4.06Å; P61-V83 HydrophobicContact CG-CG1 3.86Å; P61-V85 HydrophobicContact CG-CG1 3.4Å; P61-V85 VanDerWaalsContact CG-CG1 3.4Å
62	E	98.6	Very high	98.4	Very high	84 Å²	84	31.1 Å²	31.1	39%	0.393	16%	0.159	S	C	.	.	H	α-helix	trans	-63.9	-43.1	177.4	-67.5	78	-172.6	0	0	111.3	Y42 W55 S59 W64 A65 E66	Y42-E62 HydrophobicContact CE1-CB 3.72Å; Y42-E62 HydrophobicContact CE1-CG 3.8Å; Y42-E62 PolarHBondContact OH-O 2.8Å; W55-E62 HydrophobicContact CZ2-CB 4Å; S59-E62 PolarHBondContact O-N 2.89Å; E62-W64 PolarHBondContact O-N 2.87Å; E62-A65 PolarHBondContact O-N 3.29Å; E62-E66 WeakPolarHBondContact O-CB 3.42Å; E62-E66 PolarHBondContact O-N 3.43Å
63	F	98.8	Very high	98.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.8	-49.1	175.1	167.8	-104	0	0	0	111.9	F34 W55 S56 S59 Y60 E66 V67 K317 L468 G469	F34-F63 HydrophobicContact CE1-CD2 4.05Å; F34-F63 AromaticContact CE1-CE2 3.76Å; F34-F63 HydrophobicContact CE1-CE2 3.76Å; F34-F63 AromaticContact CZ-CD2 3.94Å; F34-F63 HydrophobicContact CZ-CD2 3.94Å; F34-F63 AromaticContact CZ-CE2 3.79Å; F34-F63 HydrophobicContact CZ-CE2 3.79Å; W55-F63 HydrophobicContact CE3-CB 4.43Å; W55-F63 HydrophobicContact CE3-CD2 4.37Å; W55-F63 HydrophobicContact CH2-CB 4.14Å; W55-F63 HydrophobicContact CZ3-CB 3.92Å; W55-F63 AromaticContact CZ3-CD2 3.83Å; W55-F63 HydrophobicContact CZ3-CD2 3.83Å; W55-F63 HydrophobicContact CZ3-CG 4.39Å; S56-F63 VanDerWaalsContact CB-CD2 3.47Å; S59-F63 WeakPolarHBondContact O-CB 3.25Å; S59-F63 PolarHBondContact O-N 2.93Å; Y60-F63 PolarHBondContact O-N 3.13Å; F63-E66 PolarHBondContact O-N 3.15Å; F63-V67 HydrophobicContact CD1-CG2 4.43Å; F63-V67 HydrophobicContact CD2-CG2 4.13Å; F63-V67 HydrophobicContact CE1-CG2 3.91Å; F63-V67 HydrophobicContact CE2-CG2 3.58Å; F63-V67 HydrophobicContact CZ-CG2 3.45Å; F63-V67 VanDerWaalsContact CZ-CG2 3.45Å; F63-V67 WeakPolarHBondContact O-CG2 3.47Å; F63-V67 PolarHBondContact O-N 3.1Å; F63-K317 HydrophobicContact CE1-CD 4.46Å; F63-K317 HydrophobicContact CZ-CD 4.05Å; F63-K317 HydrophobicContact CZ-CG 4.35Å; F63-L468 HydrophobicContact CE1-CB 4.44Å; F63-L468 HydrophobicContact CE2-CB 3.83Å; F63-L468 HydrophobicContact CE2-CD1 4.08Å; F63-L468 HydrophobicContact CZ-CB 3.52Å; F63-L468 HydrophobicContact CZ-CD1 4.46Å; F63-G469 VanDerWaalsContact CE1-CA 3.46Å
64	W	98.8	Very high	98.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-70.1	-34.3	-178.6	-75.6	117	0	0	0	112.7	Y60 P61 E62 E66 V67 W68 V82 W95 F96 I313 K317 P496	Y60-W64 WeakPolarHBondContact O-CB 3.39Å; Y60-W64 PolarHBondContact O-N 3.11Å; P61-W64 PolarHBondContact O-N 2.79Å; E62-W64 PolarHBondContact O-N 2.87Å; W64-E66 VanDerWaalsContact C-N 3.28Å; W64-E66 PolarHBondContact O-N 3.31Å; W64-V67 HydrophobicContact CE3-CB 4.18Å; W64-V67 HydrophobicContact CE3-CG1 4.23Å; W64-V67 HydrophobicContact CE3-CG2 4.39Å; W64-V67 HydrophobicContact CZ3-CG1 4.18Å; W64-V67 PolarHBondContact O-N 2.95Å; W64-W68 WeakPolarHBondContact O-CB 3.4Å; W64-W68 PolarHBondContact O-N 2.99Å; W64-V82 HydrophobicContact CB-CG1 4.04Å; W64-W95 HydrophobicContact CB-CZ3 4.04Å; W64-W95 AromaticContact CD1-CH2 3.4Å; W64-W95 VanDerWaalsContact CD1-CH2 3.4Å; W64-W95 AromaticContact CD1-CZ3 3.32Å; W64-W95 HydrophobicContact CG-CH2 4.24Å; W64-W95 AromaticContact CG-CZ3 3.77Å; W64-W95 HydrophobicContact CG-CZ3 3.77Å; W64-W95 AromaticContact NE1-CH2 3.72Å; W64-F96 HydrophobicContact CB-CE2 4.43Å; W64-F96 HydrophobicContact CB-CZ 3.92Å; W64-F96 WeakPolarHBondContact O-CZ 3.48Å; W64-I313 HydrophobicContact CE3-CD1 3.84Å; W64-I313 HydrophobicContact CE3-CG1 4.07Å; W64-I313 HydrophobicContact CE3-CG2 4.32Å; W64-I313 HydrophobicContact CZ3-CD1 4.41Å; W64-I313 HydrophobicContact CZ3-CG1 4.14Å; W64-I313 HydrophobicContact CZ3-CG2 4.16Å; W64-K317 HydrophobicContact CH2-CD 3.84Å; W64-K317 HydrophobicContact CZ3-CB 4.44Å; W64-K317 HydrophobicContact CZ3-CD 4.24Å; W64-P496 HydrophobicContact CD2-CG 3.58Å; W64-P496 HydrophobicContact CE3-CG 3.92Å; W64-P496 HydrophobicContact CG-CG 4.05Å; W64-P496 HydrophobicContact CH2-CG 4.21Å; W64-P496 VanDerWaalsContact CZ2-CD 3.45Å; W64-P496 HydrophobicContact CZ2-CG 3.88Å; W64-P496 HydrophobicContact CZ3-CG 4.22Å
65	A	98.7	Very high	98.3	Very high	15 Å²	15	31.4 Å²	31.4	12%	0.124	17%	0.17	C	C	.	.	H	α-helix	trans	-59.1	-41.8	168.9	0	0	0	0	0	111.8	P61 E62 W68 R69 Y79 V82	P61-A65 WeakPolarHBondContact O-CB 3.3Å; P61-A65 PolarHBondContact O-N 3.39Å; E62-A65 PolarHBondContact O-N 3.29Å; A65-W68 WeakPolarHBondContact O-CB 3.42Å; A65-W68 PolarHBondContact O-N 2.85Å; A65-R69 PolarHBondContact O-N 2.87Å; A65-R69 VanDerWaalsContact O-N 3.15Å; A65-Y79 WeakPolarHBondContact CB-OH 3.35Å; A65-V82 HydrophobicContact CB-CG2 3.9Å
66	E	98.7	Very high	98.3	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.028	19%	0.19	C	C	.	.	H	α-helix	trans	-72.7	-39	-179	-172.8	44.7	-139.5	0	0	112	F34 V38 Y42 E62 F63 W64 W68 R69 F70	F34-E66 HydrophobicContact CE2-CB 4.33Å; F34-E66 HydrophobicContact CE2-CG 3.73Å; F34-E66 HydrophobicContact CZ-CB 4.33Å; F34-E66 HydrophobicContact CZ-CG 3.96Å; V38-E66 HydrophobicContact CG2-CG 3.82Å; Y42-E66 HydrophobicContact CE2-CB 4.26Å; Y42-E66 HydrophobicContact CE2-CG 4.24Å; E62-E66 WeakPolarHBondContact O-CB 3.42Å; E62-E66 PolarHBondContact O-N 3.43Å; F63-E66 PolarHBondContact O-N 3.15Å; W64-E66 VanDerWaalsContact C-N 3.28Å; W64-E66 PolarHBondContact O-N 3.31Å; E66-W68 VanDerWaalsContact C-N 3.34Å; E66-W68 PolarHBondContact O-N 3.18Å; E66-R69 VanDerWaalsContact CD-NH2 3.25Å; E66-R69 PolarHBondContact O-N 3.37Å; E66-R69 IonicContact OE1-CZ 2.69Å; E66-R69 IonicContact OE1-NE 3.27Å; E66-R69 PolarHBondContact OE1-NE 3.39Å; E66-R69 IonicContact OE1-NH2 2.9Å; E66-R69 PolarHBondContact OE1-NH2 3.29Å; E66-R69 IonicContact OE2-CZ 2.93Å; E66-R69 IonicContact OE2-NE 3.83Å; E66-R69 PolarHBondContact OE2-NE 3.31Å; E66-R69 IonicContact OE2-NH2 2.75Å; E66-R69 PolarHBondContact OE2-NH2 2.77Å; E66-R69 VanDerWaalsContact OE2-NH2 3.14Å; E66-F70 VanDerWaalsContact O-CB 3.25Å; E66-F70 WeakPolarHBondContact O-CB 3.5Å; E66-F70 PolarHBondContact O-N 3.45Å
67	V	98.8	Very high	98.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-44.9	170.6	171.5	0	0	0	0	111	F34 F63 W64 R69 F70 C71 I313 K317	F34-V67 HydrophobicContact CE2-CG2 4.07Å; F34-V67 HydrophobicContact CZ-CG2 3.84Å; F63-V67 HydrophobicContact CD1-CG2 4.43Å; F63-V67 HydrophobicContact CD2-CG2 4.13Å; F63-V67 HydrophobicContact CE1-CG2 3.91Å; F63-V67 HydrophobicContact CE2-CG2 3.58Å; F63-V67 HydrophobicContact CZ-CG2 3.45Å; F63-V67 VanDerWaalsContact CZ-CG2 3.45Å; F63-V67 WeakPolarHBondContact O-CG2 3.47Å; F63-V67 PolarHBondContact O-N 3.1Å; W64-V67 HydrophobicContact CE3-CB 4.18Å; W64-V67 HydrophobicContact CE3-CG1 4.23Å; W64-V67 HydrophobicContact CE3-CG2 4.39Å; W64-V67 HydrophobicContact CZ3-CG1 4.18Å; W64-V67 PolarHBondContact O-N 2.95Å; V67-R69 VanDerWaalsContact C-N 3.28Å; V67-R69 PolarHBondContact O-N 2.81Å; V67-F70 PolarHBondContact O-N 3.12Å; V67-C71 WeakPolarHBondContact O-CB 3.41Å; V67-C71 PolarHBondContact O-N 3.5Å; V67-C71 PolarHBondContact O-SG 3.25Å; V67-C71 VanDerWaalsContact O-SG 3.41Å; V67-I313 HydrophobicContact CB-CD1 4.46Å; V67-I313 HydrophobicContact CG1-CD1 4.12Å; V67-I313 HydrophobicContact CG1-CG1 3.69Å; V67-K317 HydrophobicContact CG1-CB 4.02Å
68	W	98.6	Very high	98.2	Very high	21 Å²	21	41.8 Å²	41.8	8%	0.08	23%	0.233	C	C	.	.	H	α-helix	trans	-54.8	-46.5	177	175.5	-72.6	0	0	0	111.5	W64 A65 E66 G72 V73 Y79 F96 A99 L101 F285 I313	W64-W68 WeakPolarHBondContact O-CB 3.4Å; W64-W68 PolarHBondContact O-N 2.99Å; A65-W68 WeakPolarHBondContact O-CB 3.42Å; A65-W68 PolarHBondContact O-N 2.85Å; E66-W68 VanDerWaalsContact C-N 3.34Å; E66-W68 PolarHBondContact O-N 3.18Å; W68-G72 PolarHBondContact O-N 2.87Å; W68-V73 HydrophobicContact CD2-CB 3.7Å; W68-V73 HydrophobicContact CD2-CG1 3.9Å; W68-V73 HydrophobicContact CD2-CG2 4.04Å; W68-V73 HydrophobicContact CE3-CB 4.07Å; W68-V73 HydrophobicContact CE3-CG1 3.85Å; W68-V73 HydrophobicContact CE3-CG2 4.16Å; W68-V73 HydrophobicContact CG-CB 4.08Å; W68-V73 HydrophobicContact CG-CG2 4.23Å; W68-V73 HydrophobicContact CH2-CB 4.39Å; W68-V73 HydrophobicContact CH2-CG1 3.54Å; W68-V73 HydrophobicContact CZ2-CB 4.07Å; W68-V73 HydrophobicContact CZ2-CG1 3.58Å; W68-V73 HydrophobicContact CZ3-CB 4.39Å; W68-V73 HydrophobicContact CZ3-CG1 3.67Å; W68-V73 PolarHBondContact O-N 3.01Å; W68-V73 VanDerWaalsContact O-N 3.16Å; W68-Y79 AromaticContact CD1-CE1 3.84Å; W68-Y79 HydrophobicContact CD2-CD1 4.22Å; W68-Y79 HydrophobicContact CD2-CE1 4.04Å; W68-Y79 AromaticContact CG-CE1 3.92Å; W68-Y79 HydrophobicContact CG-CE1 3.92Å; W68-Y79 HydrophobicContact CZ2-CD1 4.36Å; W68-Y79 AromaticContact NE1-CE1 3.95Å; W68-F96 HydrophobicContact CB-CE1 4.04Å; W68-F96 HydrophobicContact CB-CZ 4.29Å; W68-F96 HydrophobicContact CD2-CD1 4.32Å; W68-F96 HydrophobicContact CD2-CE1 4.15Å; W68-F96 AromaticContact CE3-CD1 3.76Å; W68-F96 HydrophobicContact CE3-CD1 3.76Å; W68-F96 HydrophobicContact CE3-CD2 4.38Å; W68-F96 AromaticContact CE3-CE1 3.74Å; W68-F96 HydrophobicContact CE3-CE1 3.74Å; W68-F96 HydrophobicContact CE3-CE2 4.37Å; W68-F96 HydrophobicContact CE3-CG 4.06Å; W68-F96 HydrophobicContact CE3-CZ 4.04Å; W68-F96 HydrophobicContact CG-CE1 4.3Å; W68-F96 HydrophobicContact CZ3-CB 4.36Å; W68-F96 HydrophobicContact CZ3-CD1 4.16Å; W68-F96 HydrophobicContact CZ3-CD2 4.49Å; W68-F96 HydrophobicContact CZ3-CG 4.09Å; W68-A99 HydrophobicContact CH2-CB 4.14Å; W68-L101 HydrophobicContact CH2-CD2 3.65Å; W68-L101 HydrophobicContact CZ3-CD2 3.9Å; W68-F285 HydrophobicContact CE3-CE2 4.36Å; W68-F285 AromaticContact CZ3-CD2 3.81Å; W68-F285 HydrophobicContact CZ3-CD2 3.81Å; W68-F285 AromaticContact CZ3-CE2 3.81Å; W68-F285 HydrophobicContact CZ3-CE2 3.81Å; W68-I313 HydrophobicContact CB-CD1 4Å; W68-I313 HydrophobicContact CE3-CD1 4.26Å
69	R	98.3	Very high	98.2	Very high	123 Å²	123	40.3 Å²	40.3	46%	0.464	22%	0.221	S	C	.	.	H	α-helix	trans	-69.9	-51.8	-179.3	-170.1	-176.3	71.5	90.1	3.1	111.8	D41 A65 E66 V67 C71 G72	D41-R69 IonicContact OD2-CZ 2.99Å; D41-R69 IonicContact OD2-NH2 3.91Å; D41-R69 PolarHBondContact OD2-NH2 2.69Å; A65-R69 PolarHBondContact O-N 2.87Å; A65-R69 VanDerWaalsContact O-N 3.15Å; E66-R69 VanDerWaalsContact CD-NH2 3.25Å; E66-R69 PolarHBondContact O-N 3.37Å; E66-R69 IonicContact OE1-CZ 2.69Å; E66-R69 IonicContact OE1-NE 3.27Å; E66-R69 PolarHBondContact OE1-NE 3.39Å; E66-R69 IonicContact OE1-NH2 2.9Å; E66-R69 PolarHBondContact OE1-NH2 3.29Å; E66-R69 IonicContact OE2-CZ 2.93Å; E66-R69 IonicContact OE2-NE 3.83Å; E66-R69 PolarHBondContact OE2-NE 3.31Å; E66-R69 IonicContact OE2-NH2 2.75Å; E66-R69 PolarHBondContact OE2-NH2 2.77Å; E66-R69 VanDerWaalsContact OE2-NH2 3.14Å; V67-R69 VanDerWaalsContact C-N 3.28Å; V67-R69 PolarHBondContact O-N 2.81Å; R69-C71 PolarHBondContact O-N 2.91Å; R69-G72 PolarHBondContact O-N 2.82Å; R69-G72 VanDerWaalsContact O-N 3.14Å
70	F	98.5	Very high	98.1	Very high	53 Å²	53	44.8 Å²	44.8	23%	0.232	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-40.3	-176.4	-174.3	-90.2	0	0	0	112.4	K33 F34 E66 V67 G72 I320 L321	K33-F70 HydrophobicContact CB-CE2 4.3Å; K33-F70 HydrophobicContact CB-CZ 4.1Å; F34-F70 HydrophobicContact CB-CD2 4.42Å; F34-F70 HydrophobicContact CB-CE1 4.2Å; F34-F70 HydrophobicContact CB-CE2 4.1Å; F34-F70 HydrophobicContact CB-CZ 3.99Å; F34-F70 HydrophobicContact CD2-CB 3.82Å; F34-F70 AromaticContact CD2-CD1 3.84Å; F34-F70 HydrophobicContact CD2-CD1 3.84Å; F34-F70 AromaticContact CD2-CD2 3.86Å; F34-F70 HydrophobicContact CD2-CD2 3.86Å; F34-F70 HydrophobicContact CD2-CE1 4.36Å; F34-F70 HydrophobicContact CD2-CE2 4.38Å; F34-F70 AromaticContact CD2-CG 3.57Å; F34-F70 HydrophobicContact CD2-CG 3.57Å; F34-F70 HydrophobicContact CE2-CB 4.01Å; F34-F70 HydrophobicContact CE2-CG 4.27Å; E66-F70 VanDerWaalsContact O-CB 3.25Å; E66-F70 WeakPolarHBondContact O-CB 3.5Å; E66-F70 PolarHBondContact O-N 3.45Å; V67-F70 PolarHBondContact O-N 3.12Å; F70-G72 VanDerWaalsContact C-N 3.26Å; F70-G72 PolarHBondContact O-N 3Å; F70-I320 HydrophobicContact CE1-CG2 4.07Å; F70-L321 HydrophobicContact CD1-CD2 4Å; F70-L321 HydrophobicContact CE1-CD2 3.67Å
71	C	97.8	Very high	98.2	Very high	8 Å²	8	48 Å²	48	5%	0.054	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-6.2	178.2	-63.5	0	0	0	0	113.5	V67 R69 L316 I320	V67-C71 WeakPolarHBondContact O-CB 3.41Å; V67-C71 PolarHBondContact O-N 3.5Å; V67-C71 PolarHBondContact O-SG 3.25Å; V67-C71 VanDerWaalsContact O-SG 3.41Å; R69-C71 PolarHBondContact O-N 2.91Å; C71-L316 HydrophobicContact CB-CB 3.9Å; C71-L316 HydrophobicContact CB-CD1 4.06Å; C71-L316 HydrophobicContact CB-CG 4.43Å; C71-I320 HydrophobicContact CB-CD1 3.91Å
72	G	97	Very high	98.2	Very high	36 Å²	36	47.9 Å²	47.9	37%	0.371	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	53.2	176.5	0	0	0	0	0	113	W68 R69 F70 V74 K109	W68-G72 PolarHBondContact O-N 2.87Å; R69-G72 PolarHBondContact O-N 2.82Å; R69-G72 VanDerWaalsContact O-N 3.14Å; F70-G72 VanDerWaalsContact C-N 3.26Å; F70-G72 PolarHBondContact O-N 3Å; G72-V74 PolarHBondContact O-N 2.81Å; G72-K109 PolarHBondContact O-NZ 3.3Å
73	V	98.3	Very high	98.1	Very high	15 Å²	15	44.2 Å²	44.2	9%	0.091	24%	0.236	C	C	.	.			trans	-64.4	124	174.8	177.8	0	0	0	0	109.8	W68 L312 L316	W68-V73 HydrophobicContact CD2-CB 3.7Å; W68-V73 HydrophobicContact CD2-CG1 3.9Å; W68-V73 HydrophobicContact CD2-CG2 4.04Å; W68-V73 HydrophobicContact CE3-CB 4.07Å; W68-V73 HydrophobicContact CE3-CG1 3.85Å; W68-V73 HydrophobicContact CE3-CG2 4.16Å; W68-V73 HydrophobicContact CG-CB 4.08Å; W68-V73 HydrophobicContact CG-CG2 4.23Å; W68-V73 HydrophobicContact CH2-CB 4.39Å; W68-V73 HydrophobicContact CH2-CG1 3.54Å; W68-V73 HydrophobicContact CZ2-CB 4.07Å; W68-V73 HydrophobicContact CZ2-CG1 3.58Å; W68-V73 HydrophobicContact CZ3-CB 4.39Å; W68-V73 HydrophobicContact CZ3-CG1 3.67Å; W68-V73 PolarHBondContact O-N 3.01Å; W68-V73 VanDerWaalsContact O-N 3.16Å; V73-L312 HydrophobicContact CG1-CD2 4.11Å; V73-L316 HydrophobicContact CG2-CD1 3.86Å
74	V	97.9	Very high	98.1	Very high	51 Å²	51	46.6 Å²	46.6	31%	0.309	25%	0.248	S	C	.	.			trans	-83.9	127.2	176.4	-178.2	0	0	0	0	108.8	G72 E105 N106 K109	G72-V74 PolarHBondContact O-N 2.81Å; V74-E105 HydrophobicContact CG1-CG 4.4Å; V74-N106 WeakPolarHBondContact CB-OD1 3.22Å; V74-N106 PolarHBondContact N-OD1 2.88Å; V74-N106 PolarHBondContact O-ND2 2.68Å; V74-K109 HydrophobicContact CG2-CD 3.89Å
75	S	98.1	Very high	98	Very high	39 Å²	39	51.1 Å²	51.1	27%	0.273	28%	0.275	S	S	.	.			trans	-144.3	145.5	177.3	62.2	0	0	0	0	109.7	R100	S75-R100 CarbonylContact C-O 3.49Å; S75-R100 VanDerWaalsContact CA-O 3.3Å; S75-R100 WeakPolarHBondContact CA-O 3.26Å; S75-R100 VanDerWaalsContact CB-O 3.24Å; S75-R100 WeakPolarHBondContact CB-O 3.32Å
76	S	98.3	Very high	97.9	Very high	75 Å²	75	55 Å²	55	52%	0.524	30%	0.301	S	S	.	.	S	Bend	trans	-81.7	-26.1	173.7	55.3	0	0	0	0	112.6	R100 Q282	S76-R100 PolarHBondContact N-O 3.4Å; S76-R100 WeakPolarHBondContact OG-CB 3.45Å; S76-R100 PolarHBondContact OG-O 3.08Å; S76-Q282 WeakPolarHBondContact OG-CB 3.44Å; S76-Q282 VanDerWaalsContact OG-CD 3.29Å; S76-Q282 VanDerWaalsContact OG-CG 3.29Å; S76-Q282 WeakPolarHBondContact OG-CG 3.13Å; S76-Q282 PolarHBondContact OG-OE1 3.28Å
77	K	98.1	Very high	97.8	Very high	85 Å²	85	58.6 Å²	58.6	37%	0.37	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-131.7	131.8	173.1	-170.7	-175.6	166	-161.7	0	109.6	E80 G98 A99 R100	K77-E80 IonicContact NZ-OE1 3.15Å; K77-E80 PolarHBondContact NZ-OE1 3.44Å; K77-G98 WeakPolarHBondContact CD-O 3.46Å; K77-A99 WeakPolarHBondContact O-CA 3.29Å; K77-R100 HydrophobicContact CB-CB 3.9Å; K77-R100 HydrophobicContact CB-CG 4.02Å; K77-R100 PolarHBondContact N-O 2.81Å; K77-R100 PolarHBondContact O-N 2.95Å
78	P	95.9	Very high	97.6	Very high	91 Å²	91	65 Å²	65	59%	0.591	34%	0.342	S	S	*	.			trans	-66.9	160.6	175.5	29.8	-36	0	0	0	111.8
79	Y	98	Very high	97.6	Very high	70 Å²	70	64 Å²	64	28%	0.275	34%	0.338	S	S	.	.			trans	-73.4	152.5	170.1	56.7	-93.1	0	0	0	111.4	A65 W68 V82 F96	A65-Y79 WeakPolarHBondContact CB-OH 3.35Å; W68-Y79 AromaticContact CD1-CE1 3.84Å; W68-Y79 HydrophobicContact CD2-CD1 4.22Å; W68-Y79 HydrophobicContact CD2-CE1 4.04Å; W68-Y79 AromaticContact CG-CE1 3.92Å; W68-Y79 HydrophobicContact CG-CE1 3.92Å; W68-Y79 HydrophobicContact CZ2-CD1 4.36Å; W68-Y79 AromaticContact NE1-CE1 3.95Å; Y79-V82 HydrophobicContact CD2-CG2 4.13Å; Y79-V82 HydrophobicContact CE2-CG2 3.73Å; Y79-F96 AromaticContact CD1-CD1 3.5Å; Y79-F96 HydrophobicContact CD1-CD1 3.5Å; Y79-F96 VanDerWaalsContact CD1-CD1 3.5Å; Y79-F96 HydrophobicContact CD1-CE1 4.12Å; Y79-F96 HydrophobicContact CD2-CD1 4.29Å; Y79-F96 AromaticContact CE1-CD1 3.87Å; Y79-F96 HydrophobicContact CE1-CD1 3.87Å; Y79-F96 HydrophobicContact CE1-CE1 4.02Å; Y79-F96 HydrophobicContact CG-CB 4.47Å; Y79-F96 AromaticContact CG-CD1 3.72Å; Y79-F96 HydrophobicContact CG-CD1 3.72Å
80	E	97.8	Very high	97.5	Very high	131 Å²	131	59.1 Å²	59.1	61%	0.612	32%	0.322	S	S	*	.	S	Bend	trans	-98	-32.7	173.8	-65.9	163.6	-160.5	0	0	110.5	K77 K97	K77-E80 IonicContact NZ-OE1 3.15Å; K77-E80 PolarHBondContact NZ-OE1 3.44Å; E80-K97 PolarHBondContact N-O 3.06Å
81	E	98.1	Very high	97.3	Very high	85 Å²	85	60 Å²	60	40%	0.397	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	134.1	-178.1	177.8	177.3	-138.7	0	0	109.5	F96 K97	E81-F96 CarbonylContact O-C 3.34Å; E81-F96 WeakPolarHBondContact O-CA 3.49Å; E81-K97 HydrophobicContact CB-CB 4.4Å; E81-K97 PolarHBondContact N-O 3.29Å; E81-K97 PolarHBondContact O-N 3.1Å
82	V	98.5	Very high	97.2	Very high	18 Å²	18	61.8 Å²	61.8	11%	0.109	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-47.4	-179.5	179.2	0	0	0	0	111.1	P61 W64 A65 Y79 W95 F96	P61-V82 HydrophobicContact CB-CB 4.39Å; P61-V82 HydrophobicContact CB-CG1 4.46Å; W64-V82 HydrophobicContact CB-CG1 4.04Å; A65-V82 HydrophobicContact CB-CG2 3.9Å; Y79-V82 HydrophobicContact CD2-CG2 4.13Å; Y79-V82 HydrophobicContact CE2-CG2 3.73Å; V82-W95 HydrophobicContact CG1-CE3 4.09Å; V82-W95 HydrophobicContact CG1-CZ3 4.08Å; V82-W95 CarbonylContact O-C 3.56Å; V82-W95 VanDerWaalsContact O-CA 3.27Å; V82-W95 WeakPolarHBondContact O-CA 3.33Å; V82-F96 HydrophobicContact CG1-CD1 4.36Å; V82-F96 HydrophobicContact CG1-CE1 3.95Å; V82-F96 HydrophobicContact CG1-CE2 4.43Å; V82-F96 HydrophobicContact CG1-CZ 4Å; V82-F96 HydrophobicContact CG2-CD1 4.48Å; V82-F96 HydrophobicContact CG2-CE1 4.25Å; V82-F96 PolarHBondContact O-N 3.26Å
83	V	98.3	Very high	97.2	Very high	7 Å²	7	60.4 Å²	60.4	4%	0.042	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	144.8	-179.9	62.4	0	0	0	0	109.4	Y60 P61 V85 P93 W95	Y60-V83 HydrophobicContact CD2-CG1 4.04Å; Y60-V83 HydrophobicContact CE2-CG1 3.49Å; Y60-V83 VanDerWaalsContact CE2-CG1 3.49Å; Y60-V83 HydrophobicContact CE2-CG2 4.49Å; P61-V83 HydrophobicContact CB-CG1 4.06Å; P61-V83 HydrophobicContact CG-CG1 3.86Å; V83-V85 HydrophobicContact CG1-CG1 4.44Å; V83-V85 PolarHBondContact O-N 3.17Å; V83-P93 HydrophobicContact CG2-CB 3.79Å; V83-P93 HydrophobicContact CG2-CG 3.85Å; V83-W95 HydrophobicContact CB-CD2 4.08Å; V83-W95 HydrophobicContact CB-CE3 3.75Å; V83-W95 HydrophobicContact CB-CH2 4.3Å; V83-W95 HydrophobicContact CB-CZ3 3.86Å; V83-W95 HydrophobicContact CG1-CE3 4.22Å; V83-W95 HydrophobicContact CG1-CH2 4.15Å; V83-W95 HydrophobicContact CG1-CZ3 3.82Å; V83-W95 HydrophobicContact CG2-CD2 4.07Å; V83-W95 HydrophobicContact CG2-CE3 4.22Å; V83-W95 HydrophobicContact CG2-CH2 4.34Å; V83-W95 HydrophobicContact CG2-CZ2 4.17Å; V83-W95 HydrophobicContact CG2-CZ3 4.34Å
84	D	97.4	Very high	97.1	Very high	50 Å²	50	63.3 Å²	63.3	27%	0.267	34%	0.337	S	S	.	.			trans	-76.2	105.6	171.3	176.6	-3.2	0	0	0	110	S86 K87	D84-S86 VanDerWaalsContact CG-OG 3.3Å; D84-S86 PolarHBondContact O-N 2.95Å; D84-S86 VanDerWaalsContact OD1-CB 3.29Å; D84-S86 WeakPolarHBondContact OD1-CB 3.36Å; D84-S86 PolarHBondContact OD1-N 3.21Å; D84-S86 PolarHBondContact OD1-OG 2.75Å; D84-S86 PolarHBondContact OD2-OG 2.61Å; D84-K87 HydrophobicContact CB-CD 4.22Å; D84-K87 HydrophobicContact CB-CG 4.36Å; D84-K87 PolarHBondContact O-N 2.93Å; D84-K87 VanDerWaalsContact O-N 3.17Å; D84-K87 WeakPolarHBondContact OD2-CE 3.43Å
85	V	96.9	Very high	97.1	Very high	94 Å²	94	61.3 Å²	61.3	57%	0.57	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.5	-176.5	-59.8	0	0	0	0	114.6	Y60 P61 V83 K87	Y60-V85 WeakPolarHBondContact OH-CA 3.18Å; P61-V85 HydrophobicContact CG-CG1 3.4Å; P61-V85 VanDerWaalsContact CG-CG1 3.4Å; V83-V85 HydrophobicContact CG1-CG1 4.44Å; V83-V85 PolarHBondContact O-N 3.17Å; V85-K87 VanDerWaalsContact C-N 3.25Å
86	S	96.7	Very high	97.1	Very high	96 Å²	96	59.5 Å²	59.5	67%	0.671	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-16.6	173	75.8	0	0	0	0	112.6	D84	D84-S86 VanDerWaalsContact CG-OG 3.3Å; D84-S86 PolarHBondContact O-N 2.95Å; D84-S86 VanDerWaalsContact OD1-CB 3.29Å; D84-S86 WeakPolarHBondContact OD1-CB 3.36Å; D84-S86 PolarHBondContact OD1-N 3.21Å; D84-S86 PolarHBondContact OD1-OG 2.75Å; D84-S86 PolarHBondContact OD2-OG 2.61Å
87	K	96.4	Very high	97.1	Very high	83 Å²	83	60.3 Å²	60.3	36%	0.361	31%	0.305	S	S	.	.	S	Bend	trans	-90	142.9	179.9	-68.2	-177.7	-179.2	179.7	0	111.7	D84 V85 D91 P93	D84-K87 HydrophobicContact CB-CD 4.22Å; D84-K87 HydrophobicContact CB-CG 4.36Å; D84-K87 PolarHBondContact O-N 2.93Å; D84-K87 VanDerWaalsContact O-N 3.17Å; D84-K87 WeakPolarHBondContact OD2-CE 3.43Å; V85-K87 VanDerWaalsContact C-N 3.25Å; K87-D91 HydrophobicContact CB-CB 4.16Å; K87-D91 HydrophobicContact CG-CB 4.45Å; K87-P93 HydrophobicContact CB-CB 3.87Å; K87-P93 HydrophobicContact CB-CG 4.39Å; K87-P93 HydrophobicContact CD-CB 3.82Å; K87-P93 HydrophobicContact CG-CB 4.48Å
88	R	95.8	Very high	97.1	Very high	135 Å²	135	56.7 Å²	56.7	51%	0.509	29%	0.292	S	S	.	.			trans	-89.5	168.9	174.4	-58.9	172.1	-62.7	167.8	7.3	110.6	S90 D91	R88-S90 PolarHBondContact O-N 3.38Å; R88-D91 WeakPolarHBondContact CB-OD2 3.21Å; R88-D91 IonicContact CZ-OD1 2.92Å; R88-D91 PolarHBondContact N-OD2 3.19Å; R88-D91 IonicContact NE-OD1 3.6Å; R88-D91 IonicContact NE-OD2 3.46Å; R88-D91 PolarHBondContact NE-OD2 2.9Å; R88-D91 IonicContact NH2-OD1 3.4Å; R88-D91 PolarHBondContact NH2-OD1 3.15Å; R88-D91 WeakPolarHBondContact O-CB 3.33Å; R88-D91 PolarHBondContact O-N 3.41Å
89	I	96.8	Very high	97.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-57.4	-34	175.3	-179.2	153.7	0	0	0	112.1	D91 V92 K493 P494 Q498 F516 G521 W523	I89-D91 PolarHBondContact O-N 3.39Å; I89-V92 PolarHBondContact O-N 3.24Å; I89-K493 VanDerWaalsContact CD1-O 3.27Å; I89-K493 WeakPolarHBondContact CD1-O 3.24Å; I89-P494 HydrophobicContact CB-CG 4.37Å; I89-Q498 PolarHBondContact O-NE2 3.2Å; I89-F516 HydrophobicContact CB-CE1 4.43Å; I89-F516 HydrophobicContact CG1-CE1 3.99Å; I89-F516 HydrophobicContact CG1-CZ 4.07Å; I89-F516 HydrophobicContact CG2-CE1 3.9Å; I89-G521 VanDerWaalsContact CG2-O 3.26Å; I89-G521 WeakPolarHBondContact CG2-O 3.24Å; I89-W523 HydrophobicContact CD1-CB 3.7Å; I89-W523 HydrophobicContact CD1-CD2 4.48Å; I89-W523 HydrophobicContact CD1-CE3 4.1Å; I89-W523 HydrophobicContact CD1-CG 4.36Å; I89-W523 HydrophobicContact CG1-CB 4.32Å; I89-W523 HydrophobicContact CG1-CE3 4.35Å
90	S	96.4	Very high	97.2	Very high	19 Å²	19	53.3 Å²	53.3	13%	0.133	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-67.4	-20.4	176.4	59.5	0	0	0	0	114.4	R88 V92	R88-S90 PolarHBondContact O-N 3.38Å; S90-V92 VanDerWaalsContact C-N 3.32Å
91	D	95.9	Very high	97.3	Very high	72 Å²	72	47.2 Å²	47.2	39%	0.385	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-91.4	-2.9	-177.3	-47.9	-34.2	0	0	0	111.3	K87 R88 I89	K87-D91 HydrophobicContact CB-CB 4.16Å; K87-D91 HydrophobicContact CG-CB 4.45Å; R88-D91 WeakPolarHBondContact CB-OD2 3.21Å; R88-D91 IonicContact CZ-OD1 2.92Å; R88-D91 PolarHBondContact N-OD2 3.19Å; R88-D91 IonicContact NE-OD1 3.6Å; R88-D91 IonicContact NE-OD2 3.46Å; R88-D91 PolarHBondContact NE-OD2 2.9Å; R88-D91 IonicContact NH2-OD1 3.4Å; R88-D91 PolarHBondContact NH2-OD1 3.15Å; R88-D91 WeakPolarHBondContact O-CB 3.33Å; R88-D91 PolarHBondContact O-N 3.41Å; I89-D91 PolarHBondContact O-N 3.39Å
92	V	95.1	Very high	97.3	Very high	45 Å²	45	43.4 Å²	43.4	27%	0.273	22%	0.221	S	C	.	.			trans	48	65.1	177.2	-165.7	0	0	0	0	111.7	I89 S90 Y511	I89-V92 PolarHBondContact O-N 3.24Å; S90-V92 VanDerWaalsContact C-N 3.32Å; V92-Y511 HydrophobicContact CG2-CE1 3.78Å
93	P	96.1	Very high	97.3	Very high	7 Å²	7	42.7 Å²	42.7	5%	0.045	22%	0.216	C	C	.	.			trans	-63.3	149.8	-174.2	27.5	-34.9	0	0	0	112.1	V83 K87 W95 P494	V83-P93 HydrophobicContact CG2-CB 3.79Å; V83-P93 HydrophobicContact CG2-CG 3.85Å; K87-P93 HydrophobicContact CB-CB 3.87Å; K87-P93 HydrophobicContact CB-CG 4.39Å; K87-P93 HydrophobicContact CD-CB 3.82Å; K87-P93 HydrophobicContact CG-CB 4.48Å; P93-W95 VanDerWaalsContact O-CD1 3.25Å; P93-P494 HydrophobicContact CG-CB 3.57Å; P93-P494 HydrophobicContact CG-CG 3.82Å
94	E	95.8	Very high	97.4	Very high	76 Å²	76	42.3 Å²	42.3	36%	0.355	21%	0.214	S	C	.	.			trans	-69.4	135.5	169.4	-173.5	-179.8	-169.7	0	0	109.4	K97	E94-K97 HydrophobicContact CG-CB 4.38Å
95	W	98.4	Very high	97.4	Very high	10 Å²	10	42.2 Å²	42.2	4%	0.038	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	142.9	178	-74.3	89.5	0	0	0	110.7	Y60 W64 V82 V83 P93 K97 F285 P494 I495 P496	Y60-W95 AromaticContact CD2-CH2 3.76Å; Y60-W95 HydrophobicContact CD2-CH2 3.76Å; Y60-W95 HydrophobicContact CD2-CZ3 4.42Å; Y60-W95 HydrophobicContact CE2-CH2 4.15Å; W64-W95 HydrophobicContact CB-CZ3 4.04Å; W64-W95 AromaticContact CD1-CH2 3.4Å; W64-W95 VanDerWaalsContact CD1-CH2 3.4Å; W64-W95 AromaticContact CD1-CZ3 3.32Å; W64-W95 HydrophobicContact CG-CH2 4.24Å; W64-W95 AromaticContact CG-CZ3 3.77Å; W64-W95 HydrophobicContact CG-CZ3 3.77Å; W64-W95 AromaticContact NE1-CH2 3.72Å; V82-W95 HydrophobicContact CG1-CE3 4.09Å; V82-W95 HydrophobicContact CG1-CZ3 4.08Å; V82-W95 CarbonylContact O-C 3.56Å; V82-W95 VanDerWaalsContact O-CA 3.27Å; V82-W95 WeakPolarHBondContact O-CA 3.33Å; V83-W95 HydrophobicContact CB-CD2 4.08Å; V83-W95 HydrophobicContact CB-CE3 3.75Å; V83-W95 HydrophobicContact CB-CH2 4.3Å; V83-W95 HydrophobicContact CB-CZ3 3.86Å; V83-W95 HydrophobicContact CG1-CE3 4.22Å; V83-W95 HydrophobicContact CG1-CH2 4.15Å; V83-W95 HydrophobicContact CG1-CZ3 3.82Å; V83-W95 HydrophobicContact CG2-CD2 4.07Å; V83-W95 HydrophobicContact CG2-CE3 4.22Å; V83-W95 HydrophobicContact CG2-CH2 4.34Å; V83-W95 HydrophobicContact CG2-CZ2 4.17Å; V83-W95 HydrophobicContact CG2-CZ3 4.34Å; P93-W95 VanDerWaalsContact O-CD1 3.25Å; W95-K97 VanDerWaalsContact C-N 3.26Å; W95-K97 PolarHBondContact O-N 3.06Å; W95-F285 HydrophobicContact CB-CD1 3.7Å; W95-F285 HydrophobicContact CB-CE1 3.49Å; W95-F285 VanDerWaalsContact CB-CE1 3.49Å; W95-F285 HydrophobicContact CB-CZ 4.3Å; W95-F285 HydrophobicContact CG-CE1 4.43Å; W95-F285 WeakPolarHBondContact O-CB 3.47Å; W95-F285 VanDerWaalsContact O-CD1 3.25Å; W95-F285 WeakPolarHBondContact O-CD1 3.34Å; W95-F285 WeakPolarHBondContact O-CG 3.33Å; W95-P494 HydrophobicContact CZ2-CB 3.81Å; W95-P494 WeakPolarHBondContact CZ2-O 3.45Å; W95-I495 PolarHBondContact NE1-O 2.84Å; W95-P496 HydrophobicContact CD2-CB 4.14Å; W95-P496 HydrophobicContact CD2-CG 3.86Å; W95-P496 HydrophobicContact CE3-CB 4.48Å; W95-P496 HydrophobicContact CE3-CG 3.82Å; W95-P496 HydrophobicContact CG-CB 4.27Å; W95-P496 HydrophobicContact CG-CG 4.49Å; W95-P496 HydrophobicContact CH2-CG 4.03Å; W95-P496 HydrophobicContact CZ2-CG 4.09Å; W95-P496 HydrophobicContact CZ3-CG 3.91Å
96	F	98.6	Very high	97.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.1	47.3	178.5	-61.3	-84.2	0	0	0	112.5	W64 W68 Y79 E81 V82 G98 A99 F285 I313	W64-F96 HydrophobicContact CB-CE2 4.43Å; W64-F96 HydrophobicContact CB-CZ 3.92Å; W64-F96 WeakPolarHBondContact O-CZ 3.48Å; W68-F96 HydrophobicContact CB-CE1 4.04Å; W68-F96 HydrophobicContact CB-CZ 4.29Å; W68-F96 HydrophobicContact CD2-CD1 4.32Å; W68-F96 HydrophobicContact CD2-CE1 4.15Å; W68-F96 AromaticContact CE3-CD1 3.76Å; W68-F96 HydrophobicContact CE3-CD1 3.76Å; W68-F96 HydrophobicContact CE3-CD2 4.38Å; W68-F96 AromaticContact CE3-CE1 3.74Å; W68-F96 HydrophobicContact CE3-CE1 3.74Å; W68-F96 HydrophobicContact CE3-CE2 4.37Å; W68-F96 HydrophobicContact CE3-CG 4.06Å; W68-F96 HydrophobicContact CE3-CZ 4.04Å; W68-F96 HydrophobicContact CG-CE1 4.3Å; W68-F96 HydrophobicContact CZ3-CB 4.36Å; W68-F96 HydrophobicContact CZ3-CD1 4.16Å; W68-F96 HydrophobicContact CZ3-CD2 4.49Å; W68-F96 HydrophobicContact CZ3-CG 4.09Å; Y79-F96 AromaticContact CD1-CD1 3.5Å; Y79-F96 HydrophobicContact CD1-CD1 3.5Å; Y79-F96 VanDerWaalsContact CD1-CD1 3.5Å; Y79-F96 HydrophobicContact CD1-CE1 4.12Å; Y79-F96 HydrophobicContact CD2-CD1 4.29Å; Y79-F96 AromaticContact CE1-CD1 3.87Å; Y79-F96 HydrophobicContact CE1-CD1 3.87Å; Y79-F96 HydrophobicContact CE1-CE1 4.02Å; Y79-F96 HydrophobicContact CG-CB 4.47Å; Y79-F96 AromaticContact CG-CD1 3.72Å; Y79-F96 HydrophobicContact CG-CD1 3.72Å; E81-F96 CarbonylContact O-C 3.34Å; E81-F96 WeakPolarHBondContact O-CA 3.49Å; V82-F96 HydrophobicContact CG1-CD1 4.36Å; V82-F96 HydrophobicContact CG1-CE1 3.95Å; V82-F96 HydrophobicContact CG1-CE2 4.43Å; V82-F96 HydrophobicContact CG1-CZ 4Å; V82-F96 HydrophobicContact CG2-CD1 4.48Å; V82-F96 HydrophobicContact CG2-CE1 4.25Å; V82-F96 PolarHBondContact O-N 3.26Å; F96-G98 PolarHBondContact O-N 3.06Å; F96-A99 HydrophobicContact CB-CB 4.31Å; F96-A99 VanDerWaalsContact O-CB 3.25Å; F96-A99 WeakPolarHBondContact O-CB 3.27Å; F96-A99 PolarHBondContact O-N 3.27Å; F96-F285 HydrophobicContact CB-CB 4.14Å; F96-F285 HydrophobicContact CB-CD1 4.49Å; F96-F285 HydrophobicContact CB-CD2 3.61Å; F96-F285 HydrophobicContact CB-CE2 4.11Å; F96-F285 HydrophobicContact CB-CG 3.83Å; F96-F285 HydrophobicContact CD2-CD1 4.27Å; F96-F285 AromaticContact CD2-CD2 3.66Å; F96-F285 HydrophobicContact CD2-CD2 3.66Å; F96-F285 AromaticContact CD2-CE1 3.9Å; F96-F285 HydrophobicContact CD2-CE1 3.9Å; F96-F285 AromaticContact CD2-CE2 3.22Å; F96-F285 HydrophobicContact CD2-CE2 3.22Å; F96-F285 HydrophobicContact CD2-CG 4.17Å; F96-F285 AromaticContact CD2-CZ 3.35Å; F96-F285 HydrophobicContact CD2-CZ 3.35Å; F96-F285 AromaticContact CE2-CE2 3.82Å; F96-F285 HydrophobicContact CE2-CE2 3.82Å; F96-F285 AromaticContact CE2-CZ 3.78Å; F96-F285 HydrophobicContact CE2-CZ 3.78Å; F96-F285 AromaticContact CG-CD2 3.92Å; F96-F285 HydrophobicContact CG-CD2 3.92Å; F96-F285 AromaticContact CG-CE2 3.89Å; F96-F285 HydrophobicContact CG-CE2 3.89Å; F96-F285 HydrophobicContact CG-CG 4.45Å; F96-F285 HydrophobicContact CG-CZ 4.39Å; F96-I313 HydrophobicContact CE1-CD1 4.49Å; F96-I313 HydrophobicContact CE2-CD1 3.7Å; F96-I313 HydrophobicContact CZ-CD1 3.48Å; F96-I313 VanDerWaalsContact CZ-CD1 3.48Å
97	K	98.1	Very high	97.6	Very high	93 Å²	93	33.1 Å²	33.1	40%	0.404	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	135.4	-179.6	-179.2	179.5	175	-171	0	110.1	E80 E81 E94 W95 A99	E80-K97 PolarHBondContact N-O 3.06Å; E81-K97 HydrophobicContact CB-CB 4.4Å; E81-K97 PolarHBondContact N-O 3.29Å; E81-K97 PolarHBondContact O-N 3.1Å; E94-K97 HydrophobicContact CG-CB 4.38Å; W95-K97 VanDerWaalsContact C-N 3.26Å; W95-K97 PolarHBondContact O-N 3.06Å; K97-A99 VanDerWaalsContact C-N 3.32Å; K97-A99 PolarHBondContact O-N 3.06Å
98	G	97.9	Very high	97.7	Very high	9 Å²	9	29.2 Å²	29.2	9%	0.093	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	-22	-177.8	0	0	0	0	0	114.7	K77 F96	K77-G98 WeakPolarHBondContact CD-O 3.46Å; F96-G98 PolarHBondContact O-N 3.06Å
99	A	98.5	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.126	C	C	.	.			trans	-65.2	151.4	178.9	0	0	0	0	0	112.5	W68 K77 F96 K97	W68-A99 HydrophobicContact CH2-CB 4.14Å; K77-A99 WeakPolarHBondContact O-CA 3.29Å; F96-A99 HydrophobicContact CB-CB 4.31Å; F96-A99 VanDerWaalsContact O-CB 3.25Å; F96-A99 WeakPolarHBondContact O-CB 3.27Å; F96-A99 PolarHBondContact O-N 3.27Å; K97-A99 VanDerWaalsContact C-N 3.32Å; K97-A99 PolarHBondContact O-N 3.06Å
100	R	98.7	Very high	97.5	Very high	90 Å²	90	27.7 Å²	27.7	34%	0.34	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.9	170.9	-64.2	-66.5	-177.6	-98.9	5.1	110	S75 S76 K77 Q282 L283	S75-R100 CarbonylContact C-O 3.49Å; S75-R100 VanDerWaalsContact CA-O 3.3Å; S75-R100 WeakPolarHBondContact CA-O 3.26Å; S75-R100 VanDerWaalsContact CB-O 3.24Å; S75-R100 WeakPolarHBondContact CB-O 3.32Å; S76-R100 PolarHBondContact N-O 3.4Å; S76-R100 WeakPolarHBondContact OG-CB 3.45Å; S76-R100 PolarHBondContact OG-O 3.08Å; K77-R100 HydrophobicContact CB-CB 3.9Å; K77-R100 HydrophobicContact CB-CG 4.02Å; K77-R100 PolarHBondContact N-O 2.81Å; K77-R100 PolarHBondContact O-N 2.95Å; R100-Q282 HydrophobicContact CB-CB 4.23Å; R100-Q282 PolarHBondContact O-OE1 2.83Å; R100-L283 WeakPolarHBondContact CA-O 3.17Å
101	L	98.8	Very high	96.9	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	169	-175.9	68.1	90.3	0	0	0	111.1	W68 L283 F285 A308 L312	W68-L101 HydrophobicContact CH2-CD2 3.65Å; W68-L101 HydrophobicContact CZ3-CD2 3.9Å; L101-L283 PolarHBondContact N-O 3.45Å; L101-L283 PolarHBondContact O-N 3.45Å; L101-F285 HydrophobicContact CD2-CD2 3.8Å; L101-F285 HydrophobicContact CD2-CE2 4.48Å; L101-A308 HydrophobicContact CD1-CB 4.4Å; L101-L312 HydrophobicContact CD1-CD2 4.45Å
102	N	98.9	Very high	96.3	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	16%	0.159	C	C	.	.			trans	-129	136	167.6	-170.6	-81.5	0	0	0	110.9	A104 E105 N106 A176 S177 F280 E281	N102-A104 WeakPolarHBondContact OD1-CA 3.38Å; N102-A104 WeakPolarHBondContact OD1-CB 3.33Å; N102-A104 PolarHBondContact OD1-N 3.33Å; N102-E105 HydrophobicContact CB-CB 3.83Å; N102-E105 PolarHBondContact OD1-N 3.46Å; N102-E105 VanDerWaalsContact OD1-N 3.15Å; N102-N106 PolarHBondContact O-N 3.14Å; N102-N106 PolarHBondContact O-ND2 3.29Å; N102-A176 PolarHBondContact ND2-O 3.07Å; N102-S177 PolarHBondContact ND2-O 2.83Å; N102-F280 HydrophobicContact CB-CB 3.82Å; N102-F280 HydrophobicContact CB-CG 4.47Å; N102-E281 WeakPolarHBondContact CB-O 3.25Å; N102-E281 PolarHBondContact ND2-O 3.07Å
103	F	98.9	Very high	95.5	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.013	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-49.4	179.1	178.2	-96.4	0	0	0	111.6	E105 N106 L107 M172 A176 L289 F290 A308 T311 L312	F103-E105 VanDerWaalsContact C-N 3.31Å; F103-E105 PolarHBondContact O-N 2.93Å; F103-N106 PolarHBondContact O-N 3.24Å; F103-L107 HydrophobicContact CD1-CD1 4.11Å; F103-L107 HydrophobicContact CD1-CD2 4.33Å; F103-L107 HydrophobicContact CD2-CD1 4.16Å; F103-L107 HydrophobicContact CE1-CD1 3.8Å; F103-L107 HydrophobicContact CE1-CD2 3.52Å; F103-L107 HydrophobicContact CE1-CG 4.33Å; F103-L107 HydrophobicContact CE2-CD1 3.84Å; F103-L107 HydrophobicContact CG-CD1 4.28Å; F103-L107 HydrophobicContact CZ-CD1 3.65Å; F103-L107 HydrophobicContact CZ-CD2 3.74Å; F103-L107 HydrophobicContact CZ-CG 4.4Å; F103-L107 VanDerWaalsContact O-CD1 3.22Å; F103-L107 WeakPolarHBondContact O-CD1 3.41Å; F103-L107 PolarHBondContact O-N 2.91Å; F103-M172 HydrophobicContact CE1-CE 4.46Å; F103-M172 HydrophobicContact CE1-SD 4.1Å; F103-A176 HydrophobicContact CD1-CB 4.25Å; F103-L289 HydrophobicContact CB-CD1 3.9Å; F103-L289 HydrophobicContact CB-CD2 4.1Å; F103-L289 HydrophobicContact CD1-CD1 3.87Å; F103-L289 HydrophobicContact CD1-CD2 3.87Å; F103-L289 HydrophobicContact CD2-CD2 3.43Å; F103-L289 VanDerWaalsContact CD2-CD2 3.43Å; F103-L289 HydrophobicContact CE1-CD2 4.1Å; F103-L289 HydrophobicContact CE2-CD2 3.72Å; F103-L289 HydrophobicContact CG-CD1 3.9Å; F103-L289 HydrophobicContact CG-CD2 3.52Å; F103-L289 HydrophobicContact CG-CG 4.38Å; F103-L289 HydrophobicContact CZ-CD2 4.04Å; F103-F290 HydrophobicContact CE1-CZ 4.27Å; F103-F290 HydrophobicContact CZ-CE2 4.41Å; F103-F290 HydrophobicContact CZ-CZ 4.41Å; F103-A308 HydrophobicContact CB-CB 4.22Å; F103-T311 HydrophobicContact CE2-CG2 4.16Å; F103-L312 HydrophobicContact CD2-CB 4Å; F103-L312 HydrophobicContact CD2-CD1 4.38Å; F103-L312 HydrophobicContact CE2-CB 4.33Å; F103-L312 HydrophobicContact CE2-CD1 4.44Å
104	A	98.8	Very high	95	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-35.3	-178.6	0	0	0	0	0	112.2	N102 N106 L107 L108 L173 A176 F280	N102-A104 WeakPolarHBondContact OD1-CA 3.38Å; N102-A104 WeakPolarHBondContact OD1-CB 3.33Å; N102-A104 PolarHBondContact OD1-N 3.33Å; A104-N106 VanDerWaalsContact C-N 3.31Å; A104-N106 PolarHBondContact O-N 2.8Å; A104-L107 PolarHBondContact O-N 2.81Å; A104-L108 VanDerWaalsContact O-CB 3.31Å; A104-L108 WeakPolarHBondContact O-CB 3.34Å; A104-L108 WeakPolarHBondContact O-CG 3.31Å; A104-L108 PolarHBondContact O-N 3.2Å; A104-L173 HydrophobicContact CB-CB 4.42Å; A104-L173 HydrophobicContact CB-CD2 4.13Å; A104-L173 VanDerWaalsContact CB-O 3.27Å; A104-L173 WeakPolarHBondContact CB-O 3.47Å; A104-A176 HydrophobicContact CB-CB 4.19Å; A104-F280 HydrophobicContact CB-CD1 4.31Å; A104-F280 HydrophobicContact CB-CE1 4.05Å
105	E	98.8	Very high	94.9	Very high	47 Å²	47	39.6 Å²	39.6	22%	0.22	19%	0.194	C	C	.	.	H	α-helix	trans	-57.9	-44.1	174.4	-176.4	172.4	-145	0	0	111.9	V74 N102 F103 L107 L108 K109 F280 Q282	V74-E105 HydrophobicContact CG1-CG 4.4Å; N102-E105 HydrophobicContact CB-CB 3.83Å; N102-E105 PolarHBondContact OD1-N 3.46Å; N102-E105 VanDerWaalsContact OD1-N 3.15Å; F103-E105 VanDerWaalsContact C-N 3.31Å; F103-E105 PolarHBondContact O-N 2.93Å; E105-L107 VanDerWaalsContact C-N 3.32Å; E105-L107 PolarHBondContact O-N 3.01Å; E105-L108 PolarHBondContact O-N 3.44Å; E105-K109 PolarHBondContact O-N 3.09Å; E105-K109 VanDerWaalsContact O-N 3.1Å; E105-F280 HydrophobicContact CB-CB 4.22Å; E105-F280 HydrophobicContact CB-CD1 3.79Å; E105-F280 HydrophobicContact CB-CD2 3.8Å; E105-F280 HydrophobicContact CB-CE1 4.03Å; E105-F280 HydrophobicContact CB-CE2 4.01Å; E105-F280 HydrophobicContact CB-CG 3.68Å; E105-F280 HydrophobicContact CB-CZ 4.13Å; E105-F280 HydrophobicContact CG-CD2 3.81Å; E105-F280 HydrophobicContact CG-CE2 3.95Å; E105-F280 HydrophobicContact CG-CG 4.19Å; E105-F280 HydrophobicContact CG-CZ 4.47Å; E105-Q282 PolarHBondContact OE2-NE2 3Å
106	N	98.7	Very high	94.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.7	-34	178.2	-83.9	-88.7	0	0	0	112.6	V74 N102 F103 A104 K109 L312 A350	V74-N106 WeakPolarHBondContact CB-OD1 3.22Å; V74-N106 PolarHBondContact N-OD1 2.88Å; V74-N106 PolarHBondContact O-ND2 2.68Å; N102-N106 PolarHBondContact O-N 3.14Å; N102-N106 PolarHBondContact O-ND2 3.29Å; F103-N106 PolarHBondContact O-N 3.24Å; A104-N106 VanDerWaalsContact C-N 3.31Å; A104-N106 PolarHBondContact O-N 2.8Å; N106-K109 WeakPolarHBondContact O-CD 3.41Å; N106-K109 WeakPolarHBondContact O-CG 3.38Å; N106-L312 HydrophobicContact CB-CD1 3.83Å; N106-L312 HydrophobicContact CB-CD2 3.69Å; N106-L312 HydrophobicContact CB-CG 4.43Å; N106-L312 VanDerWaalsContact CG-CD2 3.41Å; N106-A350 WeakPolarHBondContact O-CA 3.45Å
107	L	98.7	Very high	94.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-78.5	-25.7	177.1	-84.7	69.2	0	0	0	112.7	F103 A104 E105 L173 L312 V346 L349 A350	F103-L107 HydrophobicContact CD1-CD1 4.11Å; F103-L107 HydrophobicContact CD1-CD2 4.33Å; F103-L107 HydrophobicContact CD2-CD1 4.16Å; F103-L107 HydrophobicContact CE1-CD1 3.8Å; F103-L107 HydrophobicContact CE1-CD2 3.52Å; F103-L107 HydrophobicContact CE1-CG 4.33Å; F103-L107 HydrophobicContact CE2-CD1 3.84Å; F103-L107 HydrophobicContact CG-CD1 4.28Å; F103-L107 HydrophobicContact CZ-CD1 3.65Å; F103-L107 HydrophobicContact CZ-CD2 3.74Å; F103-L107 HydrophobicContact CZ-CG 4.4Å; F103-L107 VanDerWaalsContact O-CD1 3.22Å; F103-L107 WeakPolarHBondContact O-CD1 3.41Å; F103-L107 PolarHBondContact O-N 2.91Å; A104-L107 PolarHBondContact O-N 2.81Å; E105-L107 VanDerWaalsContact C-N 3.32Å; E105-L107 PolarHBondContact O-N 3.01Å; L107-L173 HydrophobicContact CB-CD2 4.05Å; L107-L173 HydrophobicContact CD2-CD2 3.69Å; L107-L312 HydrophobicContact CD1-CD1 4.07Å; L107-V346 HydrophobicContact CD2-CG1 4.26Å; L107-L349 HydrophobicContact CB-CB 4.18Å; L107-L349 HydrophobicContact CD2-CB 4.45Å; L107-L349 HydrophobicContact CG-CB 4.2Å; L107-A350 HydrophobicContact CD1-CB 3.84Å; L107-A350 HydrophobicContact CG-CB 4.04Å
108	L	97.9	Very high	95	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-105	12.1	-176	-64.7	173	0	0	0	113.9	A104 E105 H110 L136 R137 V140 L173 L278 F280	A104-L108 VanDerWaalsContact O-CB 3.31Å; A104-L108 WeakPolarHBondContact O-CB 3.34Å; A104-L108 WeakPolarHBondContact O-CG 3.31Å; A104-L108 PolarHBondContact O-N 3.2Å; E105-L108 PolarHBondContact O-N 3.44Å; L108-H110 PolarHBondContact O-N 2.93Å; L108-L136 HydrophobicContact CD2-CD2 3.88Å; L108-L136 HydrophobicContact CD2-CG 3.85Å; L108-R137 HydrophobicContact CD2-CB 4.44Å; L108-R137 PolarHBondContact O-NH1 3.35Å; L108-V140 HydrophobicContact CD1-CB 4.14Å; L108-V140 HydrophobicContact CD1-CG1 3.86Å; L108-V140 HydrophobicContact CD1-CG2 4.27Å; L108-L173 HydrophobicContact CD2-CD1 4.08Å; L108-L173 HydrophobicContact CG-CD1 4.4Å; L108-L278 HydrophobicContact CD1-CD2 3.79Å; L108-F280 HydrophobicContact CB-CZ 4.44Å; L108-F280 HydrophobicContact CD1-CE1 4.25Å; L108-F280 HydrophobicContact CD1-CZ 4.31Å
109	K	95.2	Very high	95	Very high	71 Å²	71	37.1 Å²	37.1	31%	0.309	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.3	-179.2	70.9	-174.6	176.4	-175	0	114.2	G72 V74 E105 N106 A350	G72-K109 PolarHBondContact O-NZ 3.3Å; V74-K109 HydrophobicContact CG2-CD 3.89Å; E105-K109 PolarHBondContact O-N 3.09Å; E105-K109 VanDerWaalsContact O-N 3.1Å; N106-K109 WeakPolarHBondContact O-CD 3.41Å; N106-K109 WeakPolarHBondContact O-CG 3.38Å; K109-A350 WeakPolarHBondContact CE-O 3.1Å; K109-A350 PolarHBondContact NZ-O 3.01Å
110	H	93.9	Very high	95	Very high	32 Å²	32	37.7 Å²	37.7	15%	0.148	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	12.4	-177.6	-61.1	-74.7	0	0	0	114.2	L108 N112 Q113 F133 L349 A350 G352	L108-H110 PolarHBondContact O-N 2.93Å; H110-N112 PolarHBondContact O-N 2.94Å; H110-N112 VanDerWaalsContact O-N 3.08Å; H110-Q113 HydrophobicContact CB-CG 4.45Å; H110-Q113 PolarHBondContact ND1-NE2 3.43Å; H110-Q113 VanDerWaalsContact ND1-NE2 3.18Å; H110-Q113 VanDerWaalsContact O-CB 3.29Å; H110-Q113 WeakPolarHBondContact O-CB 3.49Å; H110-Q113 WeakPolarHBondContact O-CG 3.39Å; H110-Q113 PolarHBondContact O-N 2.88Å; H110-F133 HydrophobicContact CB-CD1 3.86Å; H110-F133 HydrophobicContact CB-CD2 4.38Å; H110-F133 HydrophobicContact CB-CE1 4.04Å; H110-F133 HydrophobicContact CB-CG 4.05Å; H110-F133 HydrophobicContact CB-CZ 4.39Å; H110-L349 PolarHBondContact CD2-O 2.84Å; H110-A350 PolarHBondContact NE2-O 3.23Å; H110-G352 PolarHBondContact CD2-N 3.39Å; H110-G352 PolarHBondContact NE2-N 3.48Å
111	A	84.1	Confident	94.9	Very high	20 Å²	20	33.7 Å²	33.7	17%	0.165	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22	-174.1	0	0	0	0	0	116.2	Q113 R137	A111-Q113 PolarHBondContact O-N 3.38Å; A111-R137 HydrophobicContact CB-CB 3.97Å; A111-R137 HydrophobicContact CB-CG 4.26Å
112	N	81.8	Confident	94.7	Very high	168 Å²	168	37.2 Å²	37.2	90%	0.898	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.1	176.3	-62.4	-26.1	0	0	0	113.1	H110	H110-N112 PolarHBondContact O-N 2.94Å; H110-N112 VanDerWaalsContact O-N 3.08Å
113	Q	80.1	Confident	94.5	Very high	75 Å²	75	37.5 Å²	37.5	35%	0.35	19%	0.188	S	C	.	.	S	Bend	trans	-90.4	128	176.8	-57.5	-178.6	6.4	0	0	109.1	H110 A111 K115	H110-Q113 HydrophobicContact CB-CG 4.45Å; H110-Q113 PolarHBondContact ND1-NE2 3.43Å; H110-Q113 VanDerWaalsContact ND1-NE2 3.18Å; H110-Q113 VanDerWaalsContact O-CB 3.29Å; H110-Q113 WeakPolarHBondContact O-CB 3.49Å; H110-Q113 WeakPolarHBondContact O-CG 3.39Å; H110-Q113 PolarHBondContact O-N 2.88Å; A111-Q113 PolarHBondContact O-N 3.38Å; Q113-K115 HydrophobicContact CB-CB 4.14Å; Q113-K115 PolarHBondContact O-N 2.91Å
114	D	85	Confident	94	Very high	163 Å²	163	40.7 Å²	40.7	87%	0.872	22%	0.221	S	C	*	.			trans	-75.5	60.2	168.2	-170	20.3	0	0	0	109.9
115	K	94	Very high	93.6	Very high	44 Å²	44	47 Å²	47	19%	0.191	25%	0.248	C	C	.	.			trans	-126.2	140.5	-176.7	-171.6	-175.2	179	-146	0	109.5	Q113 A117 T132 F133 S327 G352 S354	Q113-K115 HydrophobicContact CB-CB 4.14Å; Q113-K115 PolarHBondContact O-N 2.91Å; K115-A117 PolarHBondContact O-N 3.37Å; K115-T132 CarbonylContact O-C 3.44Å; K115-T132 VanDerWaalsContact O-CA 3.27Å; K115-T132 WeakPolarHBondContact O-CA 3.29Å; K115-F133 HydrophobicContact CB-CD2 4.31Å; K115-F133 HydrophobicContact CD-CE2 4.48Å; K115-F133 PolarHBondContact O-N 3.18Å; K115-S327 VanDerWaalsContact CE-O 3.28Å; K115-S327 WeakPolarHBondContact CE-O 3.45Å; K115-S327 PolarHBondContact NZ-O 2.66Å; K115-G352 PolarHBondContact NZ-O 3.24Å; K115-S354 VanDerWaalsContact CE-OG 3.23Å; K115-S354 WeakPolarHBondContact CE-OG 3.45Å; K115-S354 PolarHBondContact NZ-OG 2.72Å
116	V	98.1	Very high	93.1	Very high	26 Å²	26	53.2 Å²	53.2	16%	0.158	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	122.5	172.1	-176.8	0	0	0	0	110	L118 Y119 K130 S354	V116-L118 WeakPolarHBondContact CG1-O 3.33Å; V116-Y119 HydrophobicContact CB-CE1 4.28Å; V116-Y119 HydrophobicContact CB-CE2 3.96Å; V116-Y119 HydrophobicContact CG1-CD1 4.08Å; V116-Y119 HydrophobicContact CG1-CD2 3.9Å; V116-Y119 HydrophobicContact CG1-CE1 3.76Å; V116-Y119 HydrophobicContact CG1-CE2 3.57Å; V116-Y119 HydrophobicContact CG1-CG 4.14Å; V116-Y119 VanDerWaalsContact CG1-CZ 3.49Å; V116-Y119 HydrophobicContact CG2-CE1 4.3Å; V116-K130 HydrophobicContact CG1-CB 4.2Å; V116-K130 HydrophobicContact CG2-CB 4.37Å; V116-K130 HydrophobicContact CG2-CD 4.48Å; V116-S354 WeakPolarHBondContact O-CB 3.36Å; V116-S354 PolarHBondContact O-OG 2.99Å
117	A	98.6	Very high	92.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-47.5	171.1	0	0	0	0	0	110.9	K115 V131 F133 L136 L349 S354 V355	K115-A117 PolarHBondContact O-N 3.37Å; A117-V131 WeakPolarHBondContact CA-O 3.27Å; A117-V131 PolarHBondContact N-O 2.98Å; A117-F133 HydrophobicContact CB-CB 4.34Å; A117-F133 HydrophobicContact CB-CD1 3.82Å; A117-F133 HydrophobicContact CB-CD2 3.73Å; A117-F133 HydrophobicContact CB-CE1 3.98Å; A117-F133 HydrophobicContact CB-CE2 3.87Å; A117-F133 HydrophobicContact CB-CG 3.69Å; A117-F133 HydrophobicContact CB-CZ 3.99Å; A117-L136 HydrophobicContact CB-CB 4.48Å; A117-L136 HydrophobicContact CB-CD2 3.99Å; A117-L349 HydrophobicContact CB-CD2 3.97Å; A117-S354 CarbonylContact O-C 3.55Å; A117-S354 WeakPolarHBondContact O-CA 3.4Å; A117-V355 PolarHBondContact O-N 3.09Å
118	L	98.8	Very high	92.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.2	-174.6	-52.2	176.8	0	0	0	111.5	V116 K130 V131 L136 I166 V169 L349 V355 L357	V116-L118 WeakPolarHBondContact CG1-O 3.33Å; L118-K130 WeakPolarHBondContact O-CA 3.5Å; L118-V131 HydrophobicContact CB-CB 4.2Å; L118-V131 PolarHBondContact N-O 3.34Å; L118-V131 PolarHBondContact O-N 3.37Å; L118-L136 HydrophobicContact CD1-CD1 3.83Å; L118-L136 HydrophobicContact CD1-CD2 4.19Å; L118-L136 HydrophobicContact CG-CD2 4.25Å; L118-I166 HydrophobicContact CD1-CG1 4.3Å; L118-I166 HydrophobicContact CD1-CG2 4.31Å; L118-V169 HydrophobicContact CD1-CB 4.17Å; L118-V169 HydrophobicContact CD1-CG1 4.09Å; L118-V169 HydrophobicContact CD2-CG1 4.39Å; L118-L349 HydrophobicContact CD2-CD1 4.28Å; L118-L349 HydrophobicContact CD2-CD2 4.15Å; L118-V355 CarbonylContact C-O 3.58Å; L118-V355 WeakPolarHBondContact CA-O 3.17Å; L118-V355 HydrophobicContact CD2-CB 3.99Å; L118-V355 HydrophobicContact CD2-CG1 4.44Å; L118-L357 HydrophobicContact CD1-CD1 4.26Å; L118-L357 HydrophobicContact CD2-CD1 4.28Å
119	Y	98.8	Very high	92.8	Very high	34 Å²	34	64.3 Å²	64.3	13%	0.133	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.3	160.8	-63.9	-86.4	0	0	0	108	V116 I128 V129 K130 V330 V355 V356 L357 L377	V116-Y119 HydrophobicContact CB-CE1 4.28Å; V116-Y119 HydrophobicContact CB-CE2 3.96Å; V116-Y119 HydrophobicContact CG1-CD1 4.08Å; V116-Y119 HydrophobicContact CG1-CD2 3.9Å; V116-Y119 HydrophobicContact CG1-CE1 3.76Å; V116-Y119 HydrophobicContact CG1-CE2 3.57Å; V116-Y119 HydrophobicContact CG1-CG 4.14Å; V116-Y119 VanDerWaalsContact CG1-CZ 3.49Å; V116-Y119 HydrophobicContact CG2-CE1 4.3Å; Y119-I128 HydrophobicContact CD1-CG2 4.18Å; Y119-V129 CarbonylContact C-O 3.24Å; Y119-V129 WeakPolarHBondContact CA-O 3.23Å; Y119-K130 HydrophobicContact CD1-CD 4.3Å; Y119-K130 HydrophobicContact CD1-CG 3.8Å; Y119-K130 HydrophobicContact CE1-CD 3.86Å; Y119-K130 HydrophobicContact CE1-CG 3.85Å; Y119-V330 HydrophobicContact CD2-CG1 4.39Å; Y119-V330 HydrophobicContact CE2-CG1 4.29Å; Y119-V355 PolarHBondContact N-O 3.06Å; Y119-V356 HydrophobicContact CD2-CG2 4.21Å; Y119-V356 CarbonylContact O-C 3.53Å; Y119-V356 WeakPolarHBondContact O-CA 3.27Å; Y119-L357 PolarHBondContact O-N 3.32Å; Y119-L377 HydrophobicContact CD1-CD1 4.44Å; Y119-L377 HydrophobicContact CD1-CD2 3.71Å; Y119-L377 HydrophobicContact CE1-CD2 4.04Å; Y119-L377 HydrophobicContact CG-CD1 4.17Å; Y119-L377 HydrophobicContact CG-CD2 4.25Å
120	A	98.3	Very high	92.9	Very high	11 Å²	11	67 Å²	67	9%	0.091	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117	176.1	0	0	0	0	0	111.1	V129 I166 L357	A120-V129 HydrophobicContact CB-CB 4.34Å; A120-V129 PolarHBondContact N-O 3.38Å; A120-V129 PolarHBondContact O-N 3.26Å; A120-I166 HydrophobicContact CB-CD1 3.57Å; A120-I166 HydrophobicContact CB-CG1 3.68Å; A120-L357 WeakPolarHBondContact CA-O 3.37Å
121	A	97.3	Very high	93.1	Very high	6 Å²	6	66 Å²	66	5%	0.05	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	143.9	175.6	0	0	0	0	0	109.9	I128 L357 Y358 D359 L373	A121-I128 HydrophobicContact CB-CG1 4.44Å; A121-L357 PolarHBondContact N-O 3.04Å; A121-Y358 HydrophobicContact CB-CD2 3.95Å; A121-Y358 WeakPolarHBondContact O-CA 3.39Å; A121-D359 PolarHBondContact O-N 2.87Å; A121-D359 VanDerWaalsContact O-N 3.08Å; A121-L373 HydrophobicContact CB-CD1 4.01Å; A121-L373 HydrophobicContact CB-CD2 3.85Å
122	R	94.9	Very high	93.8	Very high	77 Å²	77	66.6 Å²	66.6	29%	0.291	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.8	-178.2	-62.5	-171.4	-69	176.8	-4.7	110.9	G124 K125 Y243 D359	R122-G124 PolarHBondContact O-N 3.13Å; R122-K125 HydrophobicContact CB-CB 4.32Å; R122-K125 HydrophobicContact CB-CG 4.31Å; R122-K125 PolarHBondContact O-N 3.03Å; R122-Y243 VanDerWaalsContact CD-CZ 3.45Å; R122-Y243 WeakPolarHBondContact CD-OH 3.47Å; R122-Y243 PolarHBondContact NH1-O 3.48Å; R122-D359 WeakPolarHBondContact CA-O 3.07Å; R122-D359 HydrophobicContact CG-CB 4.47Å
123	E	94.8	Very high	94.6	Very high	11 Å²	11	58.6 Å²	58.6	5%	0.051	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	130.7	175.2	-166.7	-179.7	145.3	0	0	111.5	K125 V213 Y214 N215 G216 D359 S361 M364	E123-K125 VanDerWaalsContact C-N 3.25Å; E123-K125 PolarHBondContact O-N 3.07Å; E123-V213 HydrophobicContact CB-CG1 4.21Å; E123-V213 HydrophobicContact CG-CG1 4.35Å; E123-Y214 WeakPolarHBondContact OE2-CA 3.35Å; E123-N215 WeakPolarHBondContact OE1-CA 3.3Å; E123-N215 PolarHBondContact OE1-N 3.01Å; E123-N215 PolarHBondContact OE2-N 3.46Å; E123-G216 PolarHBondContact OE1-N 3.37Å; E123-D359 PolarHBondContact N-O 3.01Å; E123-S361 VanDerWaalsContact OE2-CB 3.25Å; E123-S361 WeakPolarHBondContact OE2-CB 3.21Å; E123-S361 PolarHBondContact OE2-N 3.03Å; E123-M364 VanDerWaalsContact CD-CB 3.5Å; E123-M364 HydrophobicContact CG-CB 3.88Å; E123-M364 WeakPolarHBondContact OE1-CB 3.49Å; E123-M364 WeakPolarHBondContact OE1-CG 3.47Å
124	G	86.8	Confident	95.4	Very high	69 Å²	69	56.5 Å²	56.5	71%	0.711	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	9.4	178.1	0	0	0	0	0	115.2	R122	R122-G124 PolarHBondContact O-N 3.13Å
125	K	90.8	Very high	95.9	Very high	132 Å²	132	52 Å²	52	57%	0.574	27%	0.273	S	S	*	.			trans	-117.6	124.6	172.9	-64.4	-66.1	-174.2	176.2	0	110	R122 E123	R122-K125 HydrophobicContact CB-CB 4.32Å; R122-K125 HydrophobicContact CB-CG 4.31Å; R122-K125 PolarHBondContact O-N 3.03Å; E123-K125 VanDerWaalsContact C-N 3.25Å; E123-K125 PolarHBondContact O-N 3.07Å
126	E	88.8	Confident	96.1	Very high	178 Å²	178	49.9 Å²	49.9	83%	0.832	26%	0.263	S	S	*	.			trans	-76.4	-28.6	177.4	-64.7	-173.1	169	0	0	112.8	K376	E126-K376 PolarHBondContact O-NZ 3.04Å
127	E	93.5	Very high	96.1	Very high	152 Å²	152	52.4 Å²	52.4	71%	0.71	27%	0.27	S	S	*	.			trans	-69.4	132.4	178.1	-173.8	179.8	-169.2	0	0	111
128	I	97.1	Very high	95.9	Very high	23 Å²	23	56.4 Å²	56.4	12%	0.118	29%	0.285	C	S	.	.			trans	-110.5	116.9	173.1	-58.8	177.1	0	0	0	107.2	Y119 A121 L373 K376 L377	Y119-I128 HydrophobicContact CD1-CG2 4.18Å; A121-I128 HydrophobicContact CB-CG1 4.44Å; I128-L373 HydrophobicContact CD1-CD2 3.73Å; I128-K376 HydrophobicContact CD1-CD 3.71Å; I128-K376 HydrophobicContact CD1-CG 4.22Å; I128-L377 HydrophobicContact CD1-CD1 4.16Å; I128-L377 HydrophobicContact CD1-CD2 3.69Å; I128-L377 HydrophobicContact CD1-CG 4.02Å; I128-L377 HydrophobicContact CG2-CD1 4.49Å; I128-L377 HydrophobicContact CG2-CD2 4.2Å
129	V	97.7	Very high	95.8	Very high	59 Å²	59	58.2 Å²	58.2	36%	0.358	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	134.8	176.7	-175.7	0	0	0	0	108.4	Y119 A120 V131 I166	Y119-V129 CarbonylContact C-O 3.24Å; Y119-V129 WeakPolarHBondContact CA-O 3.23Å; A120-V129 HydrophobicContact CB-CB 4.34Å; A120-V129 PolarHBondContact N-O 3.38Å; A120-V129 PolarHBondContact O-N 3.26Å; V129-V131 HydrophobicContact CG1-CG2 4.49Å; V129-I166 HydrophobicContact CB-CD1 3.97Å; V129-I166 HydrophobicContact CG1-CD1 3.57Å
130	K	98.2	Very high	95.8	Very high	128 Å²	128	56.6 Å²	56.6	56%	0.557	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.3	178.6	-57.4	-178.2	-176	176.9	0	108.6	V116 L118 Y119	V116-K130 HydrophobicContact CG1-CB 4.2Å; V116-K130 HydrophobicContact CG2-CB 4.37Å; V116-K130 HydrophobicContact CG2-CD 4.48Å; L118-K130 WeakPolarHBondContact O-CA 3.5Å; Y119-K130 HydrophobicContact CD1-CD 4.3Å; Y119-K130 HydrophobicContact CD1-CG 3.8Å; Y119-K130 HydrophobicContact CE1-CD 3.86Å; Y119-K130 HydrophobicContact CE1-CG 3.85Å
131	V	98.3	Very high	95.7	Very high	11 Å²	11	56.2 Å²	56.2	7%	0.067	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.4	175.3	-174.6	0	0	0	0	108	A117 L118 V129 E135 L136 I166	A117-V131 WeakPolarHBondContact CA-O 3.27Å; A117-V131 PolarHBondContact N-O 2.98Å; L118-V131 HydrophobicContact CB-CB 4.2Å; L118-V131 PolarHBondContact N-O 3.34Å; L118-V131 PolarHBondContact O-N 3.37Å; V129-V131 HydrophobicContact CG1-CG2 4.49Å; V131-E135 HydrophobicContact CG1-CB 3.73Å; V131-L136 HydrophobicContact CG1-CB 3.95Å; V131-I166 HydrophobicContact CG2-CD1 3.59Å; V131-I166 HydrophobicContact CG2-CG1 4.1Å; V131-I166 HydrophobicContact CG2-CG2 4.19Å
132	T	98.3	Very high	95.7	Very high	31 Å²	31	56.5 Å²	56.5	19%	0.19	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	163.1	174.6	62.1	0	0	0	0	112.1	K115 G134 E135 L136	K115-T132 CarbonylContact O-C 3.44Å; K115-T132 VanDerWaalsContact O-CA 3.27Å; K115-T132 WeakPolarHBondContact O-CA 3.29Å; T132-G134 PolarHBondContact O-N 2.79Å; T132-E135 WeakPolarHBondContact CB-OE2 3.44Å; T132-E135 WeakPolarHBondContact CG2-OE2 3.4Å; T132-E135 PolarHBondContact N-OE2 3.16Å; T132-E135 PolarHBondContact O-N 2.87Å; T132-E135 WeakPolarHBondContact OG1-CB 3.46Å; T132-E135 VanDerWaalsContact OG1-CD 3.29Å; T132-E135 WeakPolarHBondContact OG1-CG 3.23Å; T132-E135 PolarHBondContact OG1-N 2.88Å; T132-E135 VanDerWaalsContact OG1-N 3.14Å; T132-E135 PolarHBondContact OG1-OE2 2.9Å; T132-L136 WeakPolarHBondContact O-CB 3.42Å; T132-L136 PolarHBondContact O-N 2.99Å
133	F	98	Very high	95.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-33.8	173.3	-83.6	-82.7	0	0	0	112.5	H110 K115 A117 R137 L349	H110-F133 HydrophobicContact CB-CD1 3.86Å; H110-F133 HydrophobicContact CB-CD2 4.38Å; H110-F133 HydrophobicContact CB-CE1 4.04Å; H110-F133 HydrophobicContact CB-CG 4.05Å; H110-F133 HydrophobicContact CB-CZ 4.39Å; K115-F133 HydrophobicContact CB-CD2 4.31Å; K115-F133 HydrophobicContact CD-CE2 4.48Å; K115-F133 PolarHBondContact O-N 3.18Å; A117-F133 HydrophobicContact CB-CB 4.34Å; A117-F133 HydrophobicContact CB-CD1 3.82Å; A117-F133 HydrophobicContact CB-CD2 3.73Å; A117-F133 HydrophobicContact CB-CE1 3.98Å; A117-F133 HydrophobicContact CB-CE2 3.87Å; A117-F133 HydrophobicContact CB-CG 3.69Å; A117-F133 HydrophobicContact CB-CZ 3.99Å; F133-R137 WeakPolarHBondContact O-CB 3.39Å; F133-R137 PolarHBondContact O-N 2.72Å; F133-L349 HydrophobicContact CE1-CB 4.24Å; F133-L349 HydrophobicContact CE1-CD2 3.8Å; F133-L349 HydrophobicContact CZ-CD2 3.84Å
134	G	96.4	Very high	96.1	Very high	31 Å²	31	52.7 Å²	52.7	32%	0.32	27%	0.273	S	S	.	.	H	α-helix	trans	-67.1	-46.9	175.5	0	0	0	0	0	112.6	T132 R137 R138	T132-G134 PolarHBondContact O-N 2.79Å; G134-R137 PolarHBondContact O-N 3.03Å; G134-R138 PolarHBondContact O-N 3.16Å
135	E	96.7	Very high	96.6	Very high	69 Å²	69	50.6 Å²	50.6	32%	0.322	25%	0.248	S	C	.	.	H	α-helix	trans	-62.3	-48.3	175.4	-70.7	164.8	143.4	0	0	111.2	V131 T132 R137 R138 D139	V131-E135 HydrophobicContact CG1-CB 3.73Å; T132-E135 WeakPolarHBondContact CB-OE2 3.44Å; T132-E135 WeakPolarHBondContact CG2-OE2 3.4Å; T132-E135 PolarHBondContact N-OE2 3.16Å; T132-E135 PolarHBondContact O-N 2.87Å; T132-E135 WeakPolarHBondContact OG1-CB 3.46Å; T132-E135 VanDerWaalsContact OG1-CD 3.29Å; T132-E135 WeakPolarHBondContact OG1-CG 3.23Å; T132-E135 PolarHBondContact OG1-N 2.88Å; T132-E135 VanDerWaalsContact OG1-N 3.14Å; T132-E135 PolarHBondContact OG1-OE2 2.9Å; E135-R137 VanDerWaalsContact C-N 3.29Å; E135-R137 PolarHBondContact O-N 2.72Å; E135-R138 WeakPolarHBondContact O-CB 3.29Å; E135-R138 PolarHBondContact O-N 3.28Å; E135-D139 WeakPolarHBondContact O-CB 3.46Å; E135-D139 PolarHBondContact O-N 2.85Å
136	L	98.1	Very high	96.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-57.3	-43.2	178.2	-179.9	61	0	0	0	111.7	L108 A117 L118 V131 T132 D139 V140 V169 E170 L173 L349	L108-L136 HydrophobicContact CD2-CD2 3.88Å; L108-L136 HydrophobicContact CD2-CG 3.85Å; A117-L136 HydrophobicContact CB-CB 4.48Å; A117-L136 HydrophobicContact CB-CD2 3.99Å; L118-L136 HydrophobicContact CD1-CD1 3.83Å; L118-L136 HydrophobicContact CD1-CD2 4.19Å; L118-L136 HydrophobicContact CG-CD2 4.25Å; V131-L136 HydrophobicContact CG1-CB 3.95Å; T132-L136 WeakPolarHBondContact O-CB 3.42Å; T132-L136 PolarHBondContact O-N 2.99Å; L136-D139 PolarHBondContact O-N 2.9Å; L136-V140 HydrophobicContact CD1-CG2 4.14Å; L136-V140 HydrophobicContact CG-CG2 4.46Å; L136-V140 WeakPolarHBondContact O-CB 3.43Å; L136-V140 WeakPolarHBondContact O-CG2 3.42Å; L136-V140 PolarHBondContact O-N 3.05Å; L136-V169 HydrophobicContact CD1-CG1 4.47Å; L136-E170 HydrophobicContact CD1-CG 3.85Å; L136-L173 HydrophobicContact CD1-CD1 4.35Å; L136-L173 HydrophobicContact CD2-CD1 4.13Å; L136-L173 HydrophobicContact CG-CD1 4.36Å; L136-L349 HydrophobicContact CD2-CD1 3.98Å
137	R	97.3	Very high	97.3	Very high	79 Å²	79	35.8 Å²	35.8	30%	0.298	18%	0.182	S	C	.	.	H	α-helix	trans	-63.5	-42.1	177.5	-176.6	178.9	177.5	98.1	2.2	111.8	L108 A111 F133 G134 E135 A141 L278	L108-R137 HydrophobicContact CD2-CB 4.44Å; L108-R137 PolarHBondContact O-NH1 3.35Å; A111-R137 HydrophobicContact CB-CB 3.97Å; A111-R137 HydrophobicContact CB-CG 4.26Å; F133-R137 WeakPolarHBondContact O-CB 3.39Å; F133-R137 PolarHBondContact O-N 2.72Å; G134-R137 PolarHBondContact O-N 3.03Å; E135-R137 VanDerWaalsContact C-N 3.29Å; E135-R137 PolarHBondContact O-N 2.72Å; R137-A141 PolarHBondContact O-N 3.21Å; R137-L278 HydrophobicContact CG-CD2 3.95Å
138	R	95.3	Very high	97.5	Very high	84 Å²	84	32.9 Å²	32.9	32%	0.317	16%	0.164	S	C	.	.	H	α-helix	trans	-63.4	-47.3	177	177.6	-164	66.2	-142.1	-7.9	110.8	G134 E135 V140 A141 V142 F275	G134-R138 PolarHBondContact O-N 3.16Å; E135-R138 WeakPolarHBondContact O-CB 3.29Å; E135-R138 PolarHBondContact O-N 3.28Å; R138-V140 PolarHBondContact O-N 3.34Å; R138-A141 WeakPolarHBondContact O-CA 3.34Å; R138-A141 WeakPolarHBondContact O-CB 3.4Å; R138-A141 PolarHBondContact O-N 2.92Å; R138-V142 PolarHBondContact O-N 2.87Å; R138-V142 VanDerWaalsContact O-N 3.16Å; R138-F275 HydrophobicContact CG-CB 4.09Å; R138-F275 HydrophobicContact CG-CD1 3.65Å; R138-F275 HydrophobicContact CG-CD2 4.1Å; R138-F275 HydrophobicContact CG-CE1 4.08Å; R138-F275 HydrophobicContact CG-CE2 4.49Å; R138-F275 HydrophobicContact CG-CG 3.66Å; R138-F275 HydrophobicContact CG-CZ 4.49Å
139	D	96.4	Very high	97.5	Very high	37 Å²	37	38.6 Å²	38.6	20%	0.198	19%	0.188	C	C	.	.	H	α-helix	trans	-68.4	-39.1	-175.8	-58	-20.2	0	0	0	110	E135 L136 A141 V142 F143	E135-D139 WeakPolarHBondContact O-CB 3.46Å; E135-D139 PolarHBondContact O-N 2.85Å; L136-D139 PolarHBondContact O-N 2.9Å; D139-A141 VanDerWaalsContact C-N 3.28Å; D139-A141 PolarHBondContact O-N 3.28Å; D139-V142 PolarHBondContact O-N 3.15Å; D139-V142 VanDerWaalsContact O-N 3.14Å; D139-F143 WeakPolarHBondContact O-CD2 3.43Å; D139-F143 PolarHBondContact O-N 3.47Å
140	V	98.4	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.3	-35.9	169	170.6	0	0	0	0	112.4	L108 L136 R138 V142 F143 A144 L173 A174 L278	L108-V140 HydrophobicContact CD1-CB 4.14Å; L108-V140 HydrophobicContact CD1-CG1 3.86Å; L108-V140 HydrophobicContact CD1-CG2 4.27Å; L136-V140 HydrophobicContact CD1-CG2 4.14Å; L136-V140 HydrophobicContact CG-CG2 4.46Å; L136-V140 WeakPolarHBondContact O-CB 3.43Å; L136-V140 WeakPolarHBondContact O-CG2 3.42Å; L136-V140 PolarHBondContact O-N 3.05Å; R138-V140 PolarHBondContact O-N 3.34Å; V140-V142 VanDerWaalsContact C-N 3.34Å; V140-F143 PolarHBondContact O-N 3.37Å; V140-A144 VanDerWaalsContact O-CB 3.25Å; V140-A144 WeakPolarHBondContact O-CB 3.28Å; V140-A144 PolarHBondContact O-N 3.14Å; V140-L173 HydrophobicContact CG1-CB 4.07Å; V140-L173 HydrophobicContact CG2-CB 3.7Å; V140-L173 HydrophobicContact CG2-CD1 4.05Å; V140-A174 HydrophobicContact CG1-CB 4.22Å; V140-L278 HydrophobicContact CB-CD2 4.39Å; V140-L278 HydrophobicContact CG1-CD1 4.11Å; V140-L278 HydrophobicContact CG1-CD2 3.88Å
141	A	97.4	Very high	97.4	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.033	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-43.4	175.1	0	0	0	0	0	112	R137 R138 D139 A144 A145 P276 L278	R137-A141 PolarHBondContact O-N 3.21Å; R138-A141 WeakPolarHBondContact O-CA 3.34Å; R138-A141 WeakPolarHBondContact O-CB 3.4Å; R138-A141 PolarHBondContact O-N 2.92Å; D139-A141 VanDerWaalsContact C-N 3.28Å; D139-A141 PolarHBondContact O-N 3.28Å; A141-A144 PolarHBondContact O-N 3.18Å; A141-A145 VanDerWaalsContact O-CB 3.31Å; A141-A145 WeakPolarHBondContact O-CB 3.2Å; A141-A145 PolarHBondContact O-N 3.27Å; A141-P276 HydrophobicContact CB-CG 4.38Å; A141-P276 VanDerWaalsContact CB-O 3.28Å; A141-P276 WeakPolarHBondContact CB-O 3.33Å; A141-L278 HydrophobicContact CB-CB 3.7Å
142	V	97.2	Very high	97.4	Very high	12 Å²	12	33.6 Å²	33.6	7%	0.073	17%	0.174	C	C	.	.	H	α-helix	trans	-66.1	-47	178.3	-176.8	0	0	0	0	110.5	R138 D139 V140 A144 A145 A146 L265 C268 F275 P276	R138-V142 PolarHBondContact O-N 2.87Å; R138-V142 VanDerWaalsContact O-N 3.16Å; D139-V142 PolarHBondContact O-N 3.15Å; D139-V142 VanDerWaalsContact O-N 3.14Å; V140-V142 VanDerWaalsContact C-N 3.34Å; V142-A144 PolarHBondContact O-N 2.94Å; V142-A145 PolarHBondContact O-N 3.46Å; V142-A146 WeakPolarHBondContact O-CB 3.36Å; V142-A146 PolarHBondContact O-N 3.18Å; V142-L265 HydrophobicContact CG1-CB 3.85Å; V142-L265 HydrophobicContact CG1-CD2 4.09Å; V142-L265 HydrophobicContact CG1-CG 4.36Å; V142-C268 PolarHBondContact O-SG 3.07Å; V142-C268 VanDerWaalsContact O-SG 3.4Å; V142-F275 HydrophobicContact CG2-CD1 3.92Å; V142-P276 HydrophobicContact CG2-CG 4.18Å
143	F	98.3	Very high	97.4	Very high	3 Å²	3	38.4 Å²	38.4	1%	0.013	19%	0.194	C	C	.	.	H	α-helix	trans	-58.6	-46.1	175.2	-88.9	-105	0	0	0	112	D139 V140 A145 A146 M147 E170 A171 A174 F207 L261 L265	D139-F143 WeakPolarHBondContact O-CD2 3.43Å; D139-F143 PolarHBondContact O-N 3.47Å; V140-F143 PolarHBondContact O-N 3.37Å; F143-A145 PolarHBondContact O-N 3.15Å; F143-A146 PolarHBondContact O-N 3.14Å; F143-M147 HydrophobicContact CB-CE 4.5Å; F143-M147 HydrophobicContact CD1-CE 4.27Å; F143-M147 VanDerWaalsContact O-CG 3.3Å; F143-M147 WeakPolarHBondContact O-CG 3.49Å; F143-M147 PolarHBondContact O-N 2.95Å; F143-E170 HydrophobicContact CD2-CB 4.08Å; F143-E170 HydrophobicContact CE1-CB 4.5Å; F143-E170 HydrophobicContact CE2-CB 3.89Å; F143-E170 WeakPolarHBondContact CE2-OE2 3.45Å; F143-E170 HydrophobicContact CG-CB 4.44Å; F143-E170 HydrophobicContact CZ-CB 4.1Å; F143-A171 HydrophobicContact CD1-CB 4.17Å; F143-A171 HydrophobicContact CE1-CB 4.04Å; F143-A174 HydrophobicContact CB-CB 3.4Å; F143-A174 HydrophobicContact CG-CB 4.46Å; F143-F207 HydrophobicContact CD1-CE1 4.11Å; F143-F207 HydrophobicContact CD1-CZ 4.19Å; F143-F207 HydrophobicContact CE1-CD1 4.35Å; F143-F207 AromaticContact CE1-CE1 3.83Å; F143-F207 HydrophobicContact CE1-CE1 3.83Å; F143-F207 HydrophobicContact CE1-CZ 4.35Å; F143-L261 HydrophobicContact CE1-CD1 3.71Å; F143-L261 HydrophobicContact CE2-CD1 4.45Å; F143-L261 HydrophobicContact CZ-CD1 3.61Å; F143-L261 HydrophobicContact CZ-CD2 3.87Å; F143-L261 HydrophobicContact CZ-CG 4.3Å; F143-L265 HydrophobicContact CB-CD2 4.32Å; F143-L265 HydrophobicContact CD1-CD2 4.12Å; F143-L265 HydrophobicContact CD2-CD1 4.07Å; F143-L265 HydrophobicContact CD2-CD2 3.64Å; F143-L265 HydrophobicContact CE1-CD2 4.4Å; F143-L265 HydrophobicContact CE2-CD1 3.69Å; F143-L265 HydrophobicContact CE2-CD2 3.97Å; F143-L265 HydrophobicContact CE2-CG 4.45Å; F143-L265 HydrophobicContact CG-CD2 3.74Å; F143-L265 HydrophobicContact CZ-CD1 4.2Å; F143-L265 HydrophobicContact CZ-CD2 4.35Å
144	A	98.3	Very high	97.4	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.033	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-42.8	180	0	0	0	0	0	111.6	V140 A141 V142 M147 R148 A174 I178 L278	V140-A144 VanDerWaalsContact O-CB 3.25Å; V140-A144 WeakPolarHBondContact O-CB 3.28Å; V140-A144 PolarHBondContact O-N 3.14Å; A141-A144 PolarHBondContact O-N 3.18Å; V142-A144 PolarHBondContact O-N 2.94Å; A144-M147 PolarHBondContact O-N 2.94Å; A144-R148 WeakPolarHBondContact O-CG 3.32Å; A144-R148 PolarHBondContact O-N 2.57Å; A144-A174 HydrophobicContact CB-CB 4.16Å; A144-I178 HydrophobicContact CB-CG2 3.83Å; A144-L278 HydrophobicContact CB-CD1 3.99Å
145	A	97.3	Very high	97.5	Very high	25 Å²	25	41 Å²	41	21%	0.207	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-42.1	176.7	0	0	0	0	0	112.2	A141 V142 F143 R148 K149 C268 P276	A141-A145 VanDerWaalsContact O-CB 3.31Å; A141-A145 WeakPolarHBondContact O-CB 3.2Å; A141-A145 PolarHBondContact O-N 3.27Å; V142-A145 PolarHBondContact O-N 3.46Å; F143-A145 PolarHBondContact O-N 3.15Å; A145-R148 PolarHBondContact O-N 3.35Å; A145-K149 WeakPolarHBondContact O-CB 3.16Å; A145-K149 PolarHBondContact O-N 2.86Å; A145-C268 HydrophobicContact CB-CB 3.78Å; A145-P276 HydrophobicContact CB-CB 3.86Å; A145-P276 HydrophobicContact CB-CG 3.81Å
146	A	97.4	Very high	97.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-43.9	174.8	0	0	0	0	0	112.1	V142 F143 R148 K149 M150 F264 L265 C268	V142-A146 WeakPolarHBondContact O-CB 3.36Å; V142-A146 PolarHBondContact O-N 3.18Å; F143-A146 PolarHBondContact O-N 3.14Å; A146-R148 PolarHBondContact O-N 2.65Å; A146-K149 PolarHBondContact O-N 3.48Å; A146-M150 WeakPolarHBondContact O-CB 3.45Å; A146-M150 PolarHBondContact O-N 3.28Å; A146-F264 HydrophobicContact CB-CD1 3.91Å; A146-F264 HydrophobicContact CB-CE1 3.55Å; A146-F264 HydrophobicContact CB-CE2 4.48Å; A146-F264 HydrophobicContact CB-CZ 3.87Å; A146-L265 HydrophobicContact CB-CD2 4.18Å; A146-C268 HydrophobicContact CB-CB 4.37Å
147	M	98.3	Very high	97.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-43.5	174.4	-70.6	-177	-160.3	0	0	112.2	F143 A144 M150 G151 I152 A171 A174 A175 I178 L205 F207 F264	F143-M147 HydrophobicContact CB-CE 4.5Å; F143-M147 HydrophobicContact CD1-CE 4.27Å; F143-M147 VanDerWaalsContact O-CG 3.3Å; F143-M147 WeakPolarHBondContact O-CG 3.49Å; F143-M147 PolarHBondContact O-N 2.95Å; A144-M147 PolarHBondContact O-N 2.94Å; M147-M150 WeakPolarHBondContact O-CB 3.47Å; M147-M150 PolarHBondContact O-N 2.85Å; M147-G151 PolarHBondContact O-N 3.18Å; M147-I152 HydrophobicContact CB-CB 4.15Å; M147-I152 HydrophobicContact CB-CG1 4.1Å; M147-I152 WeakPolarHBondContact O-CB 3.45Å; M147-I152 WeakPolarHBondContact O-CG1 3.49Å; M147-I152 PolarHBondContact O-N 3.47Å; M147-A171 HydrophobicContact CE-CB 4.46Å; M147-A171 WeakPolarHBondContact CE-O 3.38Å; M147-A174 HydrophobicContact CE-CB 3.73Å; M147-A174 HydrophobicContact SD-CB 4.23Å; M147-A175 HydrophobicContact SD-CB 4.33Å; M147-I178 HydrophobicContact CB-CD1 3.62Å; M147-I178 HydrophobicContact CG-CD1 4.48Å; M147-I178 HydrophobicContact SD-CD1 4.04Å; M147-L205 HydrophobicContact CG-CD2 3.89Å; M147-L205 HydrophobicContact SD-CD2 4.47Å; M147-F207 HydrophobicContact CE-CE2 3.57Å; M147-F207 HydrophobicContact CE-CZ 3.61Å; M147-F264 HydrophobicContact CG-CE1 4.5Å; M147-F264 HydrophobicContact CG-CZ 4.33Å
148	R	97.6	Very high	97.7	Very high	91 Å²	91	36.5 Å²	36.5	34%	0.343	19%	0.189	S	C	.	.	H	α-helix	trans	-63	-42.5	175	-74.7	-173.7	-174.1	-89.8	5.3	111.8	A144 A145 A146 M150 G151 I178 E281	A144-R148 WeakPolarHBondContact O-CG 3.32Å; A144-R148 PolarHBondContact O-N 2.57Å; A145-R148 PolarHBondContact O-N 3.35Å; A146-R148 PolarHBondContact O-N 2.65Å; R148-M150 VanDerWaalsContact C-N 3.29Å; R148-M150 PolarHBondContact O-N 2.64Å; R148-G151 WeakPolarHBondContact O-CA 3.49Å; R148-G151 PolarHBondContact O-N 3.45Å; R148-I178 HydrophobicContact CG-CG2 4.09Å; R148-E281 IonicContact CZ-OE1 3.45Å; R148-E281 VanDerWaalsContact CZ-OE1 3.27Å; R148-E281 IonicContact NH1-OE1 3.14Å; R148-E281 PolarHBondContact NH1-OE1 3.22Å; R148-E281 IonicContact NH2-OE1 3.57Å; R148-E281 PolarHBondContact NH2-OE1 3.09Å
149	K	96.1	Very high	97.8	Very high	143 Å²	143	32.5 Å²	32.5	62%	0.622	17%	0.174	S	C	*	.	H	α-helix	trans	-63.4	-35.7	177.1	-174.4	170.2	-178.5	166.4	0	112.2	A145 A146 G151 S267	A145-K149 WeakPolarHBondContact O-CB 3.16Å; A145-K149 PolarHBondContact O-N 2.86Å; A146-K149 PolarHBondContact O-N 3.48Å; K149-G151 PolarHBondContact O-N 3.4Å; K149-S267 WeakPolarHBondContact CD-O 3.48Å; K149-S267 VanDerWaalsContact CE-O 3.28Å; K149-S267 WeakPolarHBondContact CE-O 3.2Å; K149-S267 PolarHBondContact NZ-O 2.94Å
150	M	96.3	Very high	97.9	Very high	46 Å²	46	30.7 Å²	30.7	23%	0.227	17%	0.165	C	C	.	.	H	α-helix	trans	-65.6	-21.7	171.1	-172	-159.5	149.8	0	0	112.5	A146 M147 R148 I152 K204 L205 N236 K237 F264	A146-M150 WeakPolarHBondContact O-CB 3.45Å; A146-M150 PolarHBondContact O-N 3.28Å; M147-M150 WeakPolarHBondContact O-CB 3.47Å; M147-M150 PolarHBondContact O-N 2.85Å; R148-M150 VanDerWaalsContact C-N 3.29Å; R148-M150 PolarHBondContact O-N 2.64Å; M150-I152 HydrophobicContact CE-CD1 4.07Å; M150-I152 HydrophobicContact SD-CD1 4.13Å; M150-I152 HydrophobicContact SD-CG1 4.18Å; M150-K204 WeakPolarHBondContact CE-O 3.4Å; M150-L205 HydrophobicContact CE-CB 4.12Å; M150-L205 HydrophobicContact SD-CB 4.12Å; M150-L205 HydrophobicContact SD-CD1 3.94Å; M150-L205 HydrophobicContact SD-CD2 4Å; M150-L205 HydrophobicContact SD-CG 4.25Å; M150-N236 HydrophobicContact CE-CB 3.53Å; M150-K237 HydrophobicContact CE-CB 3.35Å; M150-K237 HydrophobicContact CG-CB 4.49Å; M150-K237 HydrophobicContact SD-CB 3.65Å; M150-K237 HydrophobicContact SD-CG 4.26Å; M150-F264 HydrophobicContact CB-CE2 4.14Å; M150-F264 HydrophobicContact CG-CE2 4.39Å; M150-F264 HydrophobicContact SD-CE2 4.21Å
151	G	97.5	Very high	97.9	Very high	41 Å²	41	30.7 Å²	30.7	42%	0.423	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	22.2	-179.2	0	0	0	0	0	114.3	M147 R148 K149	M147-G151 PolarHBondContact O-N 3.18Å; R148-G151 WeakPolarHBondContact O-CA 3.49Å; R148-G151 PolarHBondContact O-N 3.45Å; K149-G151 PolarHBondContact O-N 3.4Å
152	I	98.5	Very high	98	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.031	16%	0.164	C	C	.	.			trans	-67.9	131	169.5	-59.4	-57.6	0	0	0	109.5	M147 M150 D156 V158 I178 A180 K204 L205	M147-I152 HydrophobicContact CB-CB 4.15Å; M147-I152 HydrophobicContact CB-CG1 4.1Å; M147-I152 WeakPolarHBondContact O-CB 3.45Å; M147-I152 WeakPolarHBondContact O-CG1 3.49Å; M147-I152 PolarHBondContact O-N 3.47Å; M150-I152 HydrophobicContact CE-CD1 4.07Å; M150-I152 HydrophobicContact SD-CD1 4.13Å; M150-I152 HydrophobicContact SD-CG1 4.18Å; I152-D156 HydrophobicContact CG2-CB 4.06Å; I152-V158 HydrophobicContact CD1-CG2 4.49Å; I152-V158 HydrophobicContact CG2-CG2 4.07Å; I152-I178 HydrophobicContact CB-CD1 4.03Å; I152-I178 HydrophobicContact CG2-CD1 3.63Å; I152-I178 HydrophobicContact CG2-CG1 4.49Å; I152-A180 HydrophobicContact CG2-CB 3.81Å; I152-K204 HydrophobicContact CD1-CB 3.86Å; I152-K204 HydrophobicContact CD1-CD 4.47Å; I152-L205 HydrophobicContact CD1-CB 4.09Å; I152-L205 HydrophobicContact CG1-CD2 4.36Å
153	Q	97.8	Very high	97.9	Very high	131 Å²	131	30.4 Å²	30.4	61%	0.612	16%	0.162	S	C	*	.			trans	-118.4	166.2	-179.8	-62.3	-179.1	-40.5	0	0	111.1	G155 D156	Q153-G155 PolarHBondContact O-N 3.45Å; Q153-D156 PolarHBondContact N-OD2 2.81Å; Q153-D156 VanDerWaalsContact O-CB 3.29Å; Q153-D156 WeakPolarHBondContact O-CB 3.33Å; Q153-D156 PolarHBondContact O-N 3.42Å; Q153-D156 VanDerWaalsContact O-N 3.08Å
154	T	98.7	Very high	97.9	Very high	64 Å²	64	30.5 Å²	30.5	39%	0.393	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	130.8	172	-56.5	0	0	0	0	111	D156 I178 G179 L283	T154-D156 VanDerWaalsContact C-N 3.34Å; T154-I178 PolarHBondContact OG1-O 3.15Å; T154-G179 WeakPolarHBondContact CA-O 3.41Å; T154-L283 HydrophobicContact CG2-CD1 3.94Å; T154-L283 HydrophobicContact CG2-CD2 3.93Å
155	G	98.1	Very high	97.8	Very high	22 Å²	22	30.6 Å²	30.6	23%	0.227	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-8.3	-178	0	0	0	0	0	115.6	Q153 R157 G179 I181	Q153-G155 PolarHBondContact O-N 3.45Å; G155-R157 PolarHBondContact O-NH1 2.93Å; G155-G179 PolarHBondContact N-O 3.45Å; G155-I181 WeakPolarHBondContact O-CD1 3.28Å
156	D	98.7	Very high	97.9	Very high	13 Å²	13	30.4 Å²	30.4	7%	0.07	16%	0.159	C	C	.	.			trans	-69.1	146.7	171.1	-75.2	-28.1	0	0	0	111.3	I152 Q153 T154 A180 I181 K204	I152-D156 HydrophobicContact CG2-CB 4.06Å; Q153-D156 PolarHBondContact N-OD2 2.81Å; Q153-D156 VanDerWaalsContact O-CB 3.29Å; Q153-D156 WeakPolarHBondContact O-CB 3.33Å; Q153-D156 PolarHBondContact O-N 3.42Å; Q153-D156 VanDerWaalsContact O-N 3.08Å; T154-D156 VanDerWaalsContact C-N 3.34Å; D156-A180 CarbonylContact O-C 3.57Å; D156-A180 WeakPolarHBondContact O-CA 3.17Å; D156-A180 WeakPolarHBondContact O-CB 3.47Å; D156-I181 PolarHBondContact O-N 3.17Å; D156-K204 HydrophobicContact CB-CD 4.2Å; D156-K204 WeakPolarHBondContact OD1-CE 3.22Å; D156-K204 IonicContact OD1-NZ 3.6Å; D156-K204 PolarHBondContact OD1-NZ 3.47Å; D156-K204 WeakPolarHBondContact OD2-CD 3.25Å; D156-K204 IonicContact OD2-NZ 3.67Å; D156-K204 PolarHBondContact OD2-NZ 3.14Å
157	R	98.6	Very high	97.9	Very high	40 Å²	40	33.1 Å²	33.1	15%	0.151	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126.6	178.4	-74.3	71.5	58.1	-157.2	-0.5	110.2	G155 I181 I201 Q202 P203 K204 I291	G155-R157 PolarHBondContact O-NH1 2.93Å; R157-I181 WeakPolarHBondContact CA-O 3.37Å; R157-I181 HydrophobicContact CG-CB 4.28Å; R157-I201 HydrophobicContact CB-CD1 4.14Å; R157-I201 HydrophobicContact CG-CB 4.2Å; R157-I201 HydrophobicContact CG-CD1 4.05Å; R157-I201 HydrophobicContact CG-CG1 4.42Å; R157-I201 PolarHBondContact NE-O 2.76Å; R157-I201 PolarHBondContact NH2-O 3.46Å; R157-Q202 PolarHBondContact NH2-O 3.34Å; R157-Q202 VanDerWaalsContact NH2-O 3.1Å; R157-P203 HydrophobicContact CB-CB 4.09Å; R157-P203 WeakPolarHBondContact O-CA 3.38Å; R157-P203 WeakPolarHBondContact O-CB 3.41Å; R157-K204 PolarHBondContact O-N 3.44Å; R157-I291 HydrophobicContact CG-CD1 3.87Å
158	V	98.9	Very high	98	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.5	173.4	-179.7	0	0	0	0	107.5	I152 A175 A180 I181 W182 S183 L205 F207	I152-V158 HydrophobicContact CD1-CG2 4.49Å; I152-V158 HydrophobicContact CG2-CG2 4.07Å; V158-A175 HydrophobicContact CB-CB 4.12Å; V158-A175 HydrophobicContact CG1-CB 4.42Å; V158-A175 HydrophobicContact CG2-CB 4.34Å; V158-A180 HydrophobicContact CG2-CB 3.96Å; V158-I181 PolarHBondContact N-O 3.07Å; V158-W182 HydrophobicContact CB-CE3 4.32Å; V158-W182 HydrophobicContact CG1-CE3 4.01Å; V158-W182 HydrophobicContact CG1-CZ3 3.82Å; V158-W182 WeakPolarHBondContact O-CA 3.16Å; V158-S183 PolarHBondContact O-N 3.27Å; V158-S183 VanDerWaalsContact O-N 3.09Å; V158-L205 HydrophobicContact CG1-CB 4.27Å; V158-L205 HydrophobicContact CG1-CD2 4.05Å; V158-L205 HydrophobicContact CG1-CG 4.11Å; V158-L205 HydrophobicContact CG2-CB 4.39Å; V158-F207 HydrophobicContact CG1-CD2 4.05Å; V158-F207 HydrophobicContact CG1-CE2 3.77Å
159	V	98.9	Very high	98	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.8	-175	-66.2	0	0	0	0	113.6	S183 F198 I201 P203 L205 I206 F207	V159-S183 CarbonylContact C-O 3.59Å; V159-S183 WeakPolarHBondContact CA-O 3.4Å; V159-F198 HydrophobicContact CB-CD1 4.27Å; V159-F198 HydrophobicContact CB-CD2 4.08Å; V159-F198 HydrophobicContact CB-CE1 3.97Å; V159-F198 HydrophobicContact CB-CE2 3.77Å; V159-F198 HydrophobicContact CB-CG 4.34Å; V159-F198 HydrophobicContact CB-CZ 3.72Å; V159-F198 HydrophobicContact CG1-CD1 3.78Å; V159-F198 HydrophobicContact CG1-CD2 4.3Å; V159-F198 HydrophobicContact CG1-CE1 3.79Å; V159-F198 HydrophobicContact CG1-CE2 4.33Å; V159-F198 HydrophobicContact CG1-CG 4.06Å; V159-F198 HydrophobicContact CG1-CZ 4.09Å; V159-F198 HydrophobicContact CG2-CD2 3.89Å; V159-F198 HydrophobicContact CG2-CE2 3.89Å; V159-F198 HydrophobicContact CG2-CG 4.39Å; V159-F198 HydrophobicContact CG2-CZ 4.35Å; V159-I201 HydrophobicContact CG1-CD1 3.81Å; V159-P203 HydrophobicContact CB-CB 4.3Å; V159-P203 HydrophobicContact CG1-CB 3.63Å; V159-P203 HydrophobicContact CG1-CG 3.97Å; V159-P203 HydrophobicContact CG2-CB 3.75Å; V159-P203 HydrophobicContact CG2-CG 3.76Å; V159-L205 WeakPolarHBondContact CG2-O 3.29Å; V159-L205 PolarHBondContact N-O 3.16Å; V159-I206 HydrophobicContact CG2-CB 3.69Å; V159-I206 HydrophobicContact CG2-CD1 4.14Å; V159-I206 HydrophobicContact CG2-CG1 3.81Å; V159-I206 CarbonylContact O-C 3.52Å; V159-I206 VanDerWaalsContact O-CA 3.28Å; V159-I206 WeakPolarHBondContact O-CA 3.18Å; V159-F207 PolarHBondContact O-N 2.8Å
160	G	98.6	Very high	98.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.6	172.3	0	0	0	0	0	112.1	S183 S184 T185	G160-S183 PolarHBondContact N-O 3.44Å; G160-S184 CarbonylContact O-C 3.47Å; G160-S184 WeakPolarHBondContact O-CA 3.46Å; G160-S184 WeakPolarHBondContact O-CB 3.32Å; G160-T185 PolarHBondContact O-N 3.34Å
161	Y	98.3	Very high	98.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	68.1	164.3	-164.7	-175.7	0	0	0	108.8	T185 S186 V187 F189 V194 F207 H221 K224 V228	Y161-T185 WeakPolarHBondContact CA-O 3.5Å; Y161-T185 WeakPolarHBondContact CD2-OG1 3.36Å; Y161-S186 WeakPolarHBondContact CE2-O 3.25Å; Y161-V187 VanDerWaalsContact CE2-CA 3.47Å; Y161-F189 HydrophobicContact CE2-CB 4.3Å; Y161-F189 PolarHBondContact OH-O 3.41Å; Y161-V194 HydrophobicContact CD1-CG2 4.34Å; Y161-V194 HydrophobicContact CD2-CG2 4.44Å; Y161-V194 HydrophobicContact CE1-CG2 3.87Å; Y161-V194 HydrophobicContact CE2-CG2 3.95Å; Y161-F207 PolarHBondContact N-O 3.18Å; Y161-H221 AromaticContact CD1-NE2 3.23Å; Y161-H221 WeakPolarHBondContact CD1-NE2 3.48Å; Y161-H221 AromaticContact CD2-CE1 3.91Å; Y161-H221 AromaticContact CD2-NE2 3.7Å; Y161-H221 AromaticContact CE1-CE1 3.51Å; Y161-H221 AromaticContact CE1-NE2 3.08Å; Y161-H221 WeakPolarHBondContact CE1-NE2 3.45Å; Y161-H221 AromaticContact CE2-CE1 3.39Å; Y161-H221 WeakPolarHBondContact CE2-CE1 3.35Å; Y161-H221 AromaticContact CE2-NE2 3.57Å; Y161-H221 AromaticContact CG-NE2 3.53Å; Y161-H221 AromaticContact CZ-CE1 3.13Å; Y161-H221 AromaticContact CZ-NE2 3.23Å; Y161-H221 PolarHBondContact OH-CE1 3.47Å; Y161-H221 VanDerWaalsContact OH-CE1 3.31Å; Y161-K224 PolarHBondContact OH-NZ 3.37Å; Y161-V228 HydrophobicContact CE1-CG2 4.22Å
162	L	98	Very high	98.4	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.016	10%	0.099	C	C	.	.			trans	-126.3	149.3	-159.1	-67.3	175.7	0	0	0	112.3	A168 W182 T185 F207 V209 I241 T337	L162-A168 HydrophobicContact CB-CB 4.05Å; L162-A168 HydrophobicContact CD1-CB 3.9Å; L162-W182 HydrophobicContact CD1-CH2 4.27Å; L162-T185 PolarHBondContact N-O 3.25Å; L162-F207 HydrophobicContact CD1-CB 3.84Å; L162-F207 HydrophobicContact CD2-CB 4.22Å; L162-F207 HydrophobicContact CG-CB 4.25Å; L162-V209 HydrophobicContact CD2-CG1 3.97Å; L162-I241 HydrophobicContact CD2-CD1 3.61Å; L162-T337 PolarHBondContact O-OG1 3.22Å
163	P	97.1	Very high	98.4	Very high	7 Å²	7	18.3 Å²	18.3	5%	0.045	10%	0.097	C	C	.	.			trans	-72.1	173.6	167.2	30.9	-31.8	0	0	0	111.2	G165 V187 V209 V212 Y243 T337 D359	P163-G165 PolarHBondContact O-N 3.18Å; P163-V187 HydrophobicContact CB-CG1 4.42Å; P163-V187 HydrophobicContact CB-CG2 4.42Å; P163-V209 VanDerWaalsContact CD-CG1 3.45Å; P163-V209 HydrophobicContact CG-CG1 3.95Å; P163-V212 HydrophobicContact CB-CG1 4.19Å; P163-V212 HydrophobicContact CG-CG1 4.17Å; P163-Y243 HydrophobicContact CB-CE1 4.32Å; P163-Y243 HydrophobicContact CG-CD1 4.08Å; P163-Y243 HydrophobicContact CG-CE1 3.64Å; P163-Y243 HydrophobicContact CG-CE2 4.31Å; P163-T337 VanDerWaalsContact O-CG2 3.28Å; P163-T337 WeakPolarHBondContact O-CG2 3.32Å; P163-D359 HydrophobicContact CB-CB 4.32Å; P163-D359 VanDerWaalsContact CB-CG 3.46Å; P163-D359 VanDerWaalsContact CB-OD1 3.3Å; P163-D359 WeakPolarHBondContact CB-OD1 3.3Å; P163-D359 WeakPolarHBondContact CB-OD2 3.33Å
164	N	97.4	Very high	98.4	Very high	5 Å²	5	12 Å²	12	3%	0.027	7%	0.068	C	C	.	.	S	Bend	trans	-77.4	83	175.1	-174.4	13.9	0	0	0	110.9	T335 W342 L357 Y358	N164-T335 PolarHBondContact ND2-O 3.18Å; N164-W342 VanDerWaalsContact OD1-CD1 3.27Å; N164-W342 PolarHBondContact OD1-NE1 2.76Å; N164-L357 WeakPolarHBondContact OD1-CD2 3.15Å; N164-Y358 PolarHBondContact ND2-O 3.43Å
165	G	96.9	Very high	98.4	Very high	5 Å²	5	9 Å²	9	5%	0.052	5%	0.05	C	C	.	.	S	Bend	trans	-145.6	177.6	-178.5	0	0	0	0	0	113.5	P163 H167 A168	P163-G165 PolarHBondContact O-N 3.18Å; G165-H167 PolarHBondContact O-N 2.96Å; G165-A168 WeakPolarHBondContact O-CB 3.13Å; G165-A168 PolarHBondContact O-N 3.39Å; G165-A168 VanDerWaalsContact O-N 3.09Å
166	I	98.4	Very high	98.5	Very high	21 Å²	21	8.2 Å²	8.2	11%	0.108	4%	0.041	C	C	.	.	H	α-helix	trans	-53.5	-50	-172.5	-68.9	159.8	0	0	0	111.9	L118 A120 V129 V131 A168 V169 E170 L357	L118-I166 HydrophobicContact CD1-CG1 4.3Å; L118-I166 HydrophobicContact CD1-CG2 4.31Å; A120-I166 HydrophobicContact CB-CD1 3.57Å; A120-I166 HydrophobicContact CB-CG1 3.68Å; V129-I166 HydrophobicContact CB-CD1 3.97Å; V129-I166 HydrophobicContact CG1-CD1 3.57Å; V131-I166 HydrophobicContact CG2-CD1 3.59Å; V131-I166 HydrophobicContact CG2-CG1 4.1Å; V131-I166 HydrophobicContact CG2-CG2 4.19Å; I166-A168 PolarHBondContact O-N 3.39Å; I166-A168 VanDerWaalsContact O-N 3.11Å; I166-V169 WeakPolarHBondContact O-CA 3.46Å; I166-V169 WeakPolarHBondContact O-CB 3.4Å; I166-V169 PolarHBondContact O-N 2.98Å; I166-E170 VanDerWaalsContact CG2-CD 3.41Å; I166-E170 HydrophobicContact CG2-CG 4.06Å; I166-E170 WeakPolarHBondContact CG2-OE1 3.43Å; I166-E170 PolarHBondContact O-N 2.97Å; I166-L357 HydrophobicContact CG1-CD1 4.37Å
167	H	98.4	Very high	98.5	Very high	58 Å²	58	7.6 Å²	7.6	27%	0.269	4%	0.038	S	C	.	.	H	α-helix	trans	-59	-28.7	-178.5	-51.7	108.7	0	0	0	114.1	G165 E170 A171 I241 L261	G165-H167 PolarHBondContact O-N 2.96Å; H167-E170 WeakPolarHBondContact CA-OE2 3.44Å; H167-E170 IonicContact CD2-OE2 2.71Å; H167-A171 VanDerWaalsContact O-CB 3.23Å; H167-A171 WeakPolarHBondContact O-CB 3.49Å; H167-A171 PolarHBondContact O-N 2.98Å; H167-I241 HydrophobicContact CB-CD1 3.51Å; H167-L261 VanDerWaalsContact CD2-CD2 3.46Å; H167-L261 WeakPolarHBondContact CD2-CD2 3.44Å
168	A	98.7	Very high	98.5	Very high	2 Å²	2	5.8 Å²	5.8	2%	0.017	3%	0.031	C	C	.	.	H	α-helix	trans	-69.6	-36.9	175.4	0	0	0	0	0	111.5	L162 G165 I166 M172 T337 W342	L162-A168 HydrophobicContact CB-CB 4.05Å; L162-A168 HydrophobicContact CD1-CB 3.9Å; G165-A168 WeakPolarHBondContact O-CB 3.13Å; G165-A168 PolarHBondContact O-N 3.39Å; G165-A168 VanDerWaalsContact O-N 3.09Å; I166-A168 PolarHBondContact O-N 3.39Å; I166-A168 VanDerWaalsContact O-N 3.11Å; A168-M172 VanDerWaalsContact O-CB 3.23Å; A168-M172 WeakPolarHBondContact O-CB 3.41Å; A168-M172 PolarHBondContact O-N 3.44Å; A168-T337 HydrophobicContact CB-CG2 4Å; A168-W342 HydrophobicContact CB-CH2 4.49Å; A168-W342 HydrophobicContact CB-CZ2 3.82Å
169	V	98.9	Very high	98.5	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-70.2	-46.4	175.6	179.1	0	0	0	0	110.3	L118 L136 I166 M172 L173 W342 V346 L349 L357	L118-V169 HydrophobicContact CD1-CB 4.17Å; L118-V169 HydrophobicContact CD1-CG1 4.09Å; L118-V169 HydrophobicContact CD2-CG1 4.39Å; L136-V169 HydrophobicContact CD1-CG1 4.47Å; I166-V169 WeakPolarHBondContact O-CA 3.46Å; I166-V169 WeakPolarHBondContact O-CB 3.4Å; I166-V169 PolarHBondContact O-N 2.98Å; V169-M172 PolarHBondContact O-N 3.4Å; V169-L173 HydrophobicContact CG1-CD1 3.71Å; V169-L173 HydrophobicContact CG1-CG 4.24Å; V169-L173 WeakPolarHBondContact O-CB 3.41Å; V169-L173 VanDerWaalsContact O-CG 3.28Å; V169-L173 WeakPolarHBondContact O-CG 3.23Å; V169-L173 PolarHBondContact O-N 3.37Å; V169-W342 HydrophobicContact CG2-CZ2 4.06Å; V169-V346 HydrophobicContact CG1-CG1 3.9Å; V169-V346 HydrophobicContact CG2-CG1 4.4Å; V169-V346 HydrophobicContact CG2-CG2 3.85Å; V169-L349 HydrophobicContact CG1-CD1 4.22Å; V169-L357 HydrophobicContact CG2-CD1 3.77Å; V169-L357 HydrophobicContact CG2-CD2 4.09Å
170	E	98.8	Very high	98.5	Very high	12 Å²	12	5.9 Å²	5.9	6%	0.056	3%	0.032	C	C	.	.	H	α-helix	trans	-60.3	-49.9	179	-69.1	167.5	161.6	0	0	112.2	L136 F143 I166 H167 M172 L173 A174	L136-E170 HydrophobicContact CD1-CG 3.85Å; F143-E170 HydrophobicContact CD2-CB 4.08Å; F143-E170 HydrophobicContact CE1-CB 4.5Å; F143-E170 HydrophobicContact CE2-CB 3.89Å; F143-E170 WeakPolarHBondContact CE2-OE2 3.45Å; F143-E170 HydrophobicContact CG-CB 4.44Å; F143-E170 HydrophobicContact CZ-CB 4.1Å; I166-E170 VanDerWaalsContact CG2-CD 3.41Å; I166-E170 HydrophobicContact CG2-CG 4.06Å; I166-E170 WeakPolarHBondContact CG2-OE1 3.43Å; I166-E170 PolarHBondContact O-N 2.97Å; H167-E170 WeakPolarHBondContact CA-OE2 3.44Å; H167-E170 IonicContact CD2-OE2 2.71Å; E170-M172 VanDerWaalsContact C-N 3.34Å; E170-M172 PolarHBondContact O-N 3.44Å; E170-L173 PolarHBondContact O-N 3.48Å; E170-A174 VanDerWaalsContact O-CB 3.23Å; E170-A174 WeakPolarHBondContact O-CB 3.35Å; E170-A174 PolarHBondContact O-N 2.83Å
171	A	98.9	Very high	98.5	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-62.9	-40	179.1	0	0	0	0	0	112.1	F143 M147 H167 A175 W182 F207	F143-A171 HydrophobicContact CD1-CB 4.17Å; F143-A171 HydrophobicContact CE1-CB 4.04Å; M147-A171 HydrophobicContact CE-CB 4.46Å; M147-A171 WeakPolarHBondContact CE-O 3.38Å; H167-A171 VanDerWaalsContact O-CB 3.23Å; H167-A171 WeakPolarHBondContact O-CB 3.49Å; H167-A171 PolarHBondContact O-N 2.98Å; A171-A175 WeakPolarHBondContact O-CB 3.37Å; A171-A175 PolarHBondContact O-N 2.96Å; A171-W182 HydrophobicContact CB-CH2 3.68Å; A171-W182 HydrophobicContact CB-CZ3 3.73Å; A171-F207 HydrophobicContact CB-CD2 3.95Å; A171-F207 HydrophobicContact CB-CE2 4.1Å; A171-F207 HydrophobicContact CB-CG 4.17Å; A171-F207 HydrophobicContact CB-CZ 4.44Å
172	M	98.9	Very high	98.5	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-66.3	-46.4	177.2	-179.8	-82.1	-65.9	0	0	112.1	F103 A168 V169 E170 A174 A175 A176 W182 F290 W342 V346	F103-M172 HydrophobicContact CE1-CE 4.46Å; F103-M172 HydrophobicContact CE1-SD 4.1Å; A168-M172 VanDerWaalsContact O-CB 3.23Å; A168-M172 WeakPolarHBondContact O-CB 3.41Å; A168-M172 PolarHBondContact O-N 3.44Å; V169-M172 PolarHBondContact O-N 3.4Å; E170-M172 VanDerWaalsContact C-N 3.34Å; E170-M172 PolarHBondContact O-N 3.44Å; M172-A174 VanDerWaalsContact C-N 3.33Å; M172-A174 PolarHBondContact O-N 2.94Å; M172-A175 PolarHBondContact O-N 3.23Å; M172-A176 WeakPolarHBondContact O-CB 3.42Å; M172-A176 PolarHBondContact O-N 3.29Å; M172-W182 HydrophobicContact CB-CD2 3.76Å; M172-W182 HydrophobicContact CB-CE3 4.24Å; M172-W182 HydrophobicContact CB-CG 4.01Å; M172-W182 HydrophobicContact CB-CZ2 4.17Å; M172-W182 HydrophobicContact CG-CB 4.16Å; M172-W182 HydrophobicContact CG-CD2 3.94Å; M172-W182 HydrophobicContact CG-CG 3.61Å; M172-F290 HydrophobicContact CG-CE1 3.71Å; M172-F290 HydrophobicContact CG-CZ 4.23Å; M172-F290 HydrophobicContact SD-CE1 3.86Å; M172-F290 HydrophobicContact SD-CZ 3.82Å; M172-W342 HydrophobicContact CB-CH2 3.81Å; M172-W342 HydrophobicContact CB-CZ3 4.47Å; M172-W342 HydrophobicContact CE-CH2 4.27Å; M172-W342 HydrophobicContact CG-CH2 3.99Å; M172-W342 HydrophobicContact CG-CZ3 4.2Å; M172-V346 HydrophobicContact CE-CB 4.27Å; M172-V346 HydrophobicContact CE-CG1 3.42Å; M172-V346 VanDerWaalsContact CE-CG1 3.42Å
173	L	98.9	Very high	98.5	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-65.7	-36.7	178.3	-70.7	175	0	0	0	111.8	A104 L107 L108 L136 V140 V169 E170 A176 S177 L349	A104-L173 HydrophobicContact CB-CB 4.42Å; A104-L173 HydrophobicContact CB-CD2 4.13Å; A104-L173 VanDerWaalsContact CB-O 3.27Å; A104-L173 WeakPolarHBondContact CB-O 3.47Å; L107-L173 HydrophobicContact CB-CD2 4.05Å; L107-L173 HydrophobicContact CD2-CD2 3.69Å; L108-L173 HydrophobicContact CD2-CD1 4.08Å; L108-L173 HydrophobicContact CG-CD1 4.4Å; L136-L173 HydrophobicContact CD1-CD1 4.35Å; L136-L173 HydrophobicContact CD2-CD1 4.13Å; L136-L173 HydrophobicContact CG-CD1 4.36Å; V140-L173 HydrophobicContact CG1-CB 4.07Å; V140-L173 HydrophobicContact CG2-CB 3.7Å; V140-L173 HydrophobicContact CG2-CD1 4.05Å; V169-L173 HydrophobicContact CG1-CD1 3.71Å; V169-L173 HydrophobicContact CG1-CG 4.24Å; V169-L173 WeakPolarHBondContact O-CB 3.41Å; V169-L173 VanDerWaalsContact O-CG 3.28Å; V169-L173 WeakPolarHBondContact O-CG 3.23Å; V169-L173 PolarHBondContact O-N 3.37Å; E170-L173 PolarHBondContact O-N 3.48Å; L173-A176 PolarHBondContact O-N 3.34Å; L173-S177 WeakPolarHBondContact O-CB 3.4Å; L173-S177 PolarHBondContact O-N 3.34Å; L173-L349 HydrophobicContact CD1-CD1 4.43Å
174	A	98.9	Very high	98.6	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-68.4	-41.9	175.6	0	0	0	0	0	112.6	V140 F143 A144 M147 E170 M172 S177 I178	V140-A174 HydrophobicContact CG1-CB 4.22Å; F143-A174 HydrophobicContact CB-CB 3.4Å; F143-A174 HydrophobicContact CG-CB 4.46Å; A144-A174 HydrophobicContact CB-CB 4.16Å; M147-A174 HydrophobicContact CE-CB 3.73Å; M147-A174 HydrophobicContact SD-CB 4.23Å; E170-A174 VanDerWaalsContact O-CB 3.23Å; E170-A174 WeakPolarHBondContact O-CB 3.35Å; E170-A174 PolarHBondContact O-N 2.83Å; M172-A174 VanDerWaalsContact C-N 3.33Å; M172-A174 PolarHBondContact O-N 2.94Å; A174-S177 PolarHBondContact O-N 3.39Å; A174-S177 PolarHBondContact O-OG 2.78Å; A174-I178 WeakPolarHBondContact O-CG1 3.48Å; A174-I178 PolarHBondContact O-N 2.79Å
175	A	98.9	Very high	98.4	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-60.8	-46.8	172.1	0	0	0	0	0	111	M147 V158 A171 M172 S177 I178 G179 A180 W182	M147-A175 HydrophobicContact SD-CB 4.33Å; V158-A175 HydrophobicContact CB-CB 4.12Å; V158-A175 HydrophobicContact CG1-CB 4.42Å; V158-A175 HydrophobicContact CG2-CB 4.34Å; A171-A175 WeakPolarHBondContact O-CB 3.37Å; A171-A175 PolarHBondContact O-N 2.96Å; M172-A175 PolarHBondContact O-N 3.23Å; A175-S177 PolarHBondContact O-N 2.88Å; A175-I178 WeakPolarHBondContact O-CG1 3.32Å; A175-I178 PolarHBondContact O-N 3.46Å; A175-G179 PolarHBondContact O-N 3.41Å; A175-A180 HydrophobicContact CB-CB 4.1Å; A175-A180 WeakPolarHBondContact O-CA 3.32Å; A175-A180 WeakPolarHBondContact O-CB 3.2Å; A175-A180 PolarHBondContact O-N 3.27Å; A175-W182 HydrophobicContact CB-CE3 4.02Å
176	A	98.8	Very high	98	Very high	6 Å²	6	6.2 Å²	6.2	5%	0.05	3%	0.033	C	C	.	.	H	α-helix	trans	-64.9	-35.1	178.6	0	0	0	0	0	113.1	N102 F103 A104 M172 L173 I178 G179 L289	N102-A176 PolarHBondContact ND2-O 3.07Å; F103-A176 HydrophobicContact CD1-CB 4.25Å; A104-A176 HydrophobicContact CB-CB 4.19Å; M172-A176 WeakPolarHBondContact O-CB 3.42Å; M172-A176 PolarHBondContact O-N 3.29Å; L173-A176 PolarHBondContact O-N 3.34Å; A176-I178 VanDerWaalsContact C-N 3.31Å; A176-I178 PolarHBondContact O-N 2.96Å; A176-G179 PolarHBondContact O-N 2.89Å; A176-L289 HydrophobicContact CB-CD1 3.6Å
177	S	98.9	Very high	97.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-65.9	-34.3	179.5	70.9	0	0	0	0	112.4	N102 L173 A174 A175 E281	N102-S177 PolarHBondContact ND2-O 2.83Å; L173-S177 WeakPolarHBondContact O-CB 3.4Å; L173-S177 PolarHBondContact O-N 3.34Å; A174-S177 PolarHBondContact O-N 3.39Å; A174-S177 PolarHBondContact O-OG 2.78Å; A175-S177 PolarHBondContact O-N 2.88Å; S177-E281 PolarHBondContact O-N 3.47Å
178	I	98.8	Very high	97.1	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.005	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	7.2	179.1	72.5	179.6	0	0	0	113.4	A144 M147 R148 I152 T154 A174 A175 A176 A180 E281	A144-I178 HydrophobicContact CB-CG2 3.83Å; M147-I178 HydrophobicContact CB-CD1 3.62Å; M147-I178 HydrophobicContact CG-CD1 4.48Å; M147-I178 HydrophobicContact SD-CD1 4.04Å; R148-I178 HydrophobicContact CG-CG2 4.09Å; I152-I178 HydrophobicContact CB-CD1 4.03Å; I152-I178 HydrophobicContact CG2-CD1 3.63Å; I152-I178 HydrophobicContact CG2-CG1 4.49Å; T154-I178 PolarHBondContact OG1-O 3.15Å; A174-I178 WeakPolarHBondContact O-CG1 3.48Å; A174-I178 PolarHBondContact O-N 2.79Å; A175-I178 WeakPolarHBondContact O-CG1 3.32Å; A175-I178 PolarHBondContact O-N 3.46Å; A176-I178 VanDerWaalsContact C-N 3.31Å; A176-I178 PolarHBondContact O-N 2.96Å; I178-A180 VanDerWaalsContact C-N 3.28Å; I178-A180 HydrophobicContact CD1-CB 4.46Å; I178-A180 HydrophobicContact CG1-CB 4.07Å; I178-A180 PolarHBondContact O-N 3.21Å; I178-E281 WeakPolarHBondContact O-CG 3.22Å
179	G	98.7	Very high	96.5	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.01	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	12.1	179.3	0	0	0	0	0	114.9	T154 G155 A175 A176 L283 H287	T154-G179 WeakPolarHBondContact CA-O 3.41Å; G155-G179 PolarHBondContact N-O 3.45Å; A175-G179 PolarHBondContact O-N 3.41Å; A176-G179 PolarHBondContact O-N 2.89Å; G179-L283 VanDerWaalsContact CA-CD1 3.46Å; G179-H287 PolarHBondContact O-CE1 3.48Å; G179-H287 PolarHBondContact O-NE2 2.54Å
180	A	98.8	Very high	95.9	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.008	4%	0.039	C	C	.	.	P	Polyproline II helix	trans	-72.7	156.3	169.4	0	0	0	0	0	110.4	I152 D156 V158 A175 I178	I152-A180 HydrophobicContact CG2-CB 3.81Å; D156-A180 CarbonylContact O-C 3.57Å; D156-A180 WeakPolarHBondContact O-CA 3.17Å; D156-A180 WeakPolarHBondContact O-CB 3.47Å; V158-A180 HydrophobicContact CG2-CB 3.96Å; A175-A180 HydrophobicContact CB-CB 4.1Å; A175-A180 WeakPolarHBondContact O-CA 3.32Å; A175-A180 WeakPolarHBondContact O-CB 3.2Å; A175-A180 PolarHBondContact O-N 3.27Å; I178-A180 VanDerWaalsContact C-N 3.28Å; I178-A180 HydrophobicContact CD1-CB 4.46Å; I178-A180 HydrophobicContact CG1-CB 4.07Å; I178-A180 PolarHBondContact O-N 3.21Å
181	I	98.8	Very high	95.5	Very high	4 Å²	4	7.6 Å²	7.6	2%	0.021	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119.9	-177.1	-44.3	175.7	0	0	0	108.2	G155 D156 R157 V158 P288 I291 W503	G155-I181 WeakPolarHBondContact O-CD1 3.28Å; D156-I181 PolarHBondContact O-N 3.17Å; R157-I181 WeakPolarHBondContact CA-O 3.37Å; R157-I181 HydrophobicContact CG-CB 4.28Å; V158-I181 PolarHBondContact N-O 3.07Å; I181-P288 HydrophobicContact CD1-CB 3.6Å; I181-P288 HydrophobicContact CD1-CG 4.28Å; I181-P288 HydrophobicContact CG1-CB 3.91Å; I181-P288 HydrophobicContact CG2-CB 4.16Å; I181-I291 HydrophobicContact CG2-CD1 4.06Å; I181-I291 HydrophobicContact CG2-CG1 3.65Å; I181-W503 HydrophobicContact CD1-CH2 3.89Å; I181-W503 HydrophobicContact CD1-CZ3 3.7Å
182	W	98.9	Very high	94.9	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.008	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	141.5	-178.7	179.9	-97.1	0	0	0	111.7	V158 L162 A171 M172 A175 S184 F207 L289 F290 I291 W342	V158-W182 HydrophobicContact CB-CE3 4.32Å; V158-W182 HydrophobicContact CG1-CE3 4.01Å; V158-W182 HydrophobicContact CG1-CZ3 3.82Å; V158-W182 WeakPolarHBondContact O-CA 3.16Å; L162-W182 HydrophobicContact CD1-CH2 4.27Å; A171-W182 HydrophobicContact CB-CH2 3.68Å; A171-W182 HydrophobicContact CB-CZ3 3.73Å; M172-W182 HydrophobicContact CB-CD2 3.76Å; M172-W182 HydrophobicContact CB-CE3 4.24Å; M172-W182 HydrophobicContact CB-CG 4.01Å; M172-W182 HydrophobicContact CB-CZ2 4.17Å; M172-W182 HydrophobicContact CG-CB 4.16Å; M172-W182 HydrophobicContact CG-CD2 3.94Å; M172-W182 HydrophobicContact CG-CG 3.61Å; A175-W182 HydrophobicContact CB-CE3 4.02Å; W182-S184 PolarHBondContact NE1-OG 2.94Å; W182-F207 HydrophobicContact CZ3-CD2 4.32Å; W182-L289 PolarHBondContact N-O 3.28Å; W182-F290 HydrophobicContact CB-CD1 3.94Å; W182-F290 HydrophobicContact CB-CE1 4.04Å; W182-F290 AromaticContact CD1-CD1 3.83Å; W182-F290 AromaticContact CD1-CE1 3.74Å; W182-F290 HydrophobicContact CG-CD1 4.29Å; W182-F290 HydrophobicContact CG-CE1 4.2Å; W182-F290 VanDerWaalsContact O-CA 3.32Å; W182-F290 WeakPolarHBondContact O-CA 3.28Å; W182-I291 PolarHBondContact O-N 2.75Å; W182-W342 AromaticContact NE1-CZ3 3.85Å
183	S	98.6	Very high	94.1	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.014	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	150.3	168.5	-172.6	0	0	0	0	110.1	V158 V159 G160 I291 Y293	V158-S183 PolarHBondContact O-N 3.27Å; V158-S183 VanDerWaalsContact O-N 3.09Å; V159-S183 CarbonylContact C-O 3.59Å; V159-S183 WeakPolarHBondContact CA-O 3.4Å; G160-S183 PolarHBondContact N-O 3.44Å; S183-I291 VanDerWaalsContact CB-O 3.32Å; S183-I291 WeakPolarHBondContact CB-O 3.46Å; S183-I291 PolarHBondContact OG-O 2.64Å; S183-Y293 WeakPolarHBondContact OG-CE2 3.49Å; S183-Y293 VanDerWaalsContact OG-CZ 3.31Å; S183-Y293 PolarHBondContact OG-OH 2.77Å
184	S	97.8	Very high	93.7	Very high	16 Å²	16	11.1 Å²	11.1	11%	0.112	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	155.9	-176.2	50	0	0	0	0	113.9	G160 W182 T337	G160-S184 CarbonylContact O-C 3.47Å; G160-S184 WeakPolarHBondContact O-CA 3.46Å; G160-S184 WeakPolarHBondContact O-CB 3.32Å; W182-S184 PolarHBondContact NE1-OG 2.94Å; S184-T337 PolarHBondContact OG-O 3.11Å
185	T	93	Very high	93.4	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.006	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	146.4	167.2	54.3	0	0	0	0	108.7	G160 Y161 L162 F189 V194 F198	G160-T185 PolarHBondContact O-N 3.34Å; Y161-T185 WeakPolarHBondContact CA-O 3.5Å; Y161-T185 WeakPolarHBondContact CD2-OG1 3.36Å; L162-T185 PolarHBondContact N-O 3.25Å; T185-F189 HydrophobicContact CG2-CD1 4.36Å; T185-V194 HydrophobicContact CG2-CG2 4.43Å; T185-F198 HydrophobicContact CG2-CE1 3.81Å; T185-F198 HydrophobicContact CG2-CZ 3.73Å; T185-F198 WeakPolarHBondContact OG1-CZ 3.35Å
186	S	89.6	Confident	92.8	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.014	8%	0.084	C	C	.	.			trans	-77.3	151.5	173.4	48.9	0	0	0	0	112	Y161 D188 F189 T336 T337	Y161-S186 WeakPolarHBondContact CE2-O 3.25Å; S186-D188 WeakPolarHBondContact CB-OD1 3.47Å; S186-D188 PolarHBondContact O-N 3.31Å; S186-D188 PolarHBondContact OG-OD1 2.98Å; S186-F189 WeakPolarHBondContact O-CB 3.23Å; S186-F189 WeakPolarHBondContact O-CD2 3.47Å; S186-F189 PolarHBondContact O-N 3.34Å; S186-T336 VanDerWaalsContact CB-CB 3.5Å; S186-T336 WeakPolarHBondContact CB-OG1 3.5Å; S186-T336 PolarHBondContact OG-OG1 3.19Å; S186-T337 WeakPolarHBondContact CA-OG1 3.18Å
187	V	91.2	Very high	92.4	Very high	16 Å²	16	15.3 Å²	15.3	10%	0.097	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-16.1	-176.9	-68.6	0	0	0	0	115.6	Y161 P163 F189 V209 V212 H221 K224	Y161-V187 VanDerWaalsContact CE2-CA 3.47Å; P163-V187 HydrophobicContact CB-CG1 4.42Å; P163-V187 HydrophobicContact CB-CG2 4.42Å; V187-F189 VanDerWaalsContact C-N 3.33Å; V187-V209 HydrophobicContact CG1-CG2 3.73Å; V187-V212 HydrophobicContact CB-CG1 4.19Å; V187-V212 HydrophobicContact CB-CG2 4.4Å; V187-V212 HydrophobicContact CG1-CG1 4Å; V187-V212 HydrophobicContact CG2-CB 4.41Å; V187-V212 HydrophobicContact CG2-CG1 3.92Å; V187-V212 HydrophobicContact CG2-CG2 3.94Å; V187-H221 PolarHBondContact O-CE1 3.38Å; V187-H221 VanDerWaalsContact O-CE1 3.31Å; V187-K224 PolarHBondContact O-NZ 2.98Å
188	D	86	Confident	92.3	Very high	54 Å²	54	15.3 Å²	15.3	29%	0.289	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.9	178.5	67.4	-38.6	0	0	0	113.5	S186 S616 R618	S186-D188 WeakPolarHBondContact CB-OD1 3.47Å; S186-D188 PolarHBondContact O-N 3.31Å; S186-D188 PolarHBondContact OG-OD1 2.98Å; D188-S616 WeakPolarHBondContact O-CB 3.32Å; D188-R618 IonicContact OD2-CZ 3.81Å; D188-R618 IonicContact OD2-NE 3.57Å; D188-R618 PolarHBondContact OD2-NE 2.97Å
189	F	85.6	Confident	92.1	Very high	20 Å²	20	18.1 Å²	18.1	9%	0.088	10%	0.103	C	C	.	.			trans	-65.9	154.2	172.1	-81.2	-123.8	0	0	0	110.9	Y161 T185 S186 V187 V194 K224 L615	Y161-F189 HydrophobicContact CE2-CB 4.3Å; Y161-F189 PolarHBondContact OH-O 3.41Å; T185-F189 HydrophobicContact CG2-CD1 4.36Å; S186-F189 WeakPolarHBondContact O-CB 3.23Å; S186-F189 WeakPolarHBondContact O-CD2 3.47Å; S186-F189 PolarHBondContact O-N 3.34Å; V187-F189 VanDerWaalsContact C-N 3.33Å; F189-V194 HydrophobicContact CB-CG2 3.82Å; F189-K224 PolarHBondContact O-NZ 3.29Å; F189-L615 CarbonylContact C-O 3.58Å
190	G	87.4	Confident	91.9	Very high	3 Å²	3	19.8 Å²	19.8	3%	0.031	11%	0.111	C	C	.	.			trans	-94.2	171.6	171.8	0	0	0	0	0	110.5	N192 G193 V194 A614 L615	G190-N192 VanDerWaalsContact C-N 3.31Å; G190-N192 PolarHBondContact O-N 2.97Å; G190-G193 PolarHBondContact O-N 2.85Å; G190-V194 WeakPolarHBondContact O-CG2 3.23Å; G190-V194 PolarHBondContact O-N 2.87Å; G190-V194 VanDerWaalsContact O-N 3.11Å; G190-A614 CarbonylContact C-O 3.54Å; G190-A614 WeakPolarHBondContact CA-O 3.42Å; G190-L615 WeakPolarHBondContact CA-O 3.47Å; G190-L615 PolarHBondContact N-O 3.14Å
191	V	90.8	Very high	91.8	Very high	29 Å²	29	19.7 Å²	19.7	18%	0.176	11%	0.111	C	C	.	.	H	α-helix	trans	-56	-45.6	-176.4	179.4	0	0	0	0	111.4	V194 L195 K224 N227 V228	V191-V194 PolarHBondContact O-N 2.91Å; V191-L195 HydrophobicContact CG1-CD1 3.75Å; V191-L195 HydrophobicContact CG1-CG 4.24Å; V191-L195 WeakPolarHBondContact O-CB 3.4Å; V191-L195 WeakPolarHBondContact O-CG 3.45Å; V191-L195 PolarHBondContact O-N 3.09Å; V191-K224 HydrophobicContact CG2-CB 4.46Å; V191-N227 HydrophobicContact CG1-CB 3.92Å; V191-N227 HydrophobicContact CG2-CB 3.74Å; V191-V228 HydrophobicContact CB-CG2 4.4Å; V191-V228 HydrophobicContact CG1-CG2 4.11Å; V191-V228 HydrophobicContact CG2-CG2 4.46Å
192	N	85.3	Confident	91.7	Very high	74 Å²	74	23.9 Å²	23.9	40%	0.396	13%	0.13	S	C	.	.	H	α-helix	trans	-67	-45.5	-179.4	-64.8	13.4	0	0	0	111.1	G190 V194 L195 D196 A614	G190-N192 VanDerWaalsContact C-N 3.31Å; G190-N192 PolarHBondContact O-N 2.97Å; N192-V194 PolarHBondContact O-N 2.98Å; N192-V194 VanDerWaalsContact O-N 3.16Å; N192-L195 PolarHBondContact O-N 3.34Å; N192-L195 VanDerWaalsContact O-N 3.15Å; N192-D196 WeakPolarHBondContact O-CB 3.45Å; N192-D196 VanDerWaalsContact O-CG 3.27Å; N192-D196 PolarHBondContact O-N 3.03Å; N192-A614 HydrophobicContact CB-CB 4.27Å; N192-A614 PolarHBondContact N-O 3.33Å
193	G	83.2	Confident	91.7	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-56.5	-33.9	177.8	0	0	0	0	0	113.3	G190 R197 A614	G190-G193 PolarHBondContact O-N 2.85Å; G193-R197 WeakPolarHBondContact O-CD 3.36Å; G193-R197 WeakPolarHBondContact O-CG 3.45Å; G193-R197 PolarHBondContact O-NH1 3Å; G193-A614 PolarHBondContact N-O 3.46Å
194	V	90.6	Very high	91.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-77.4	-48	174.5	179.4	0	0	0	0	111.7	Y161 T185 F189 G190 V191 N192 D196 R197 F198 V228	Y161-V194 HydrophobicContact CD1-CG2 4.34Å; Y161-V194 HydrophobicContact CD2-CG2 4.44Å; Y161-V194 HydrophobicContact CE1-CG2 3.87Å; Y161-V194 HydrophobicContact CE2-CG2 3.95Å; T185-V194 HydrophobicContact CG2-CG2 4.43Å; F189-V194 HydrophobicContact CB-CG2 3.82Å; G190-V194 WeakPolarHBondContact O-CG2 3.23Å; G190-V194 PolarHBondContact O-N 2.87Å; G190-V194 VanDerWaalsContact O-N 3.11Å; V191-V194 PolarHBondContact O-N 2.91Å; N192-V194 PolarHBondContact O-N 2.98Å; N192-V194 VanDerWaalsContact O-N 3.16Å; V194-D196 PolarHBondContact O-N 3.11Å; V194-R197 WeakPolarHBondContact O-CB 3.23Å; V194-R197 PolarHBondContact O-N 2.95Å; V194-F198 HydrophobicContact CG1-CD2 3.31Å; V194-F198 HydrophobicContact CG1-CE2 3.55Å; V194-F198 HydrophobicContact CG1-CG 4Å; V194-F198 HydrophobicContact CG1-CZ 4.41Å; V194-F198 PolarHBondContact O-N 3.47Å; V194-V228 HydrophobicContact CB-CG1 4.45Å; V194-V228 HydrophobicContact CB-CG2 3.89Å; V194-V228 HydrophobicContact CG1-CB 4.45Å; V194-V228 HydrophobicContact CG1-CG1 3.6Å; V194-V228 HydrophobicContact CG1-CG2 3.92Å; V194-V228 HydrophobicContact CG2-CG2 4.39Å
195	L	91.6	Very high	91.8	Very high	33 Å²	33	25.6 Å²	25.6	17%	0.173	14%	0.135	C	C	.	.	H	α-helix	trans	-64.8	-38.4	-178.1	-72.2	-180	0	0	0	112.6	V191 N192 R197 S199 V228 L232	V191-L195 HydrophobicContact CG1-CD1 3.75Å; V191-L195 HydrophobicContact CG1-CG 4.24Å; V191-L195 WeakPolarHBondContact O-CB 3.4Å; V191-L195 WeakPolarHBondContact O-CG 3.45Å; V191-L195 PolarHBondContact O-N 3.09Å; N192-L195 PolarHBondContact O-N 3.34Å; N192-L195 VanDerWaalsContact O-N 3.15Å; L195-R197 PolarHBondContact O-N 2.71Å; L195-S199 WeakPolarHBondContact O-CB 3.17Å; L195-S199 PolarHBondContact O-N 2.82Å; L195-S199 PolarHBondContact O-OG 2.98Å; L195-V228 HydrophobicContact CD2-CG1 4.33Å; L195-V228 WeakPolarHBondContact CD2-O 3.44Å; L195-L232 HydrophobicContact CD2-CD2 3.99Å; L195-L232 HydrophobicContact CD2-CG 3.97Å
196	D	86	Confident	92	Very high	47 Å²	47	25.5 Å²	25.5	25%	0.251	14%	0.135	S	C	.	.	H	α-helix	trans	-59	-17.6	174.4	-74.4	-11.8	0	0	0	112.4	N192 V194 Q200 P301	N192-D196 WeakPolarHBondContact O-CB 3.45Å; N192-D196 VanDerWaalsContact O-CG 3.27Å; N192-D196 PolarHBondContact O-N 3.03Å; V194-D196 PolarHBondContact O-N 3.11Å; D196-Q200 PolarHBondContact O-NE2 3.5Å; D196-P301 HydrophobicContact CB-CG 4.27Å
197	R	91.5	Very high	92.5	Very high	15 Å²	15	25.4 Å²	25.4	6%	0.057	13%	0.134	C	C	.	.	H	α-helix	trans	-103.7	-61	179.7	-69.5	174.8	173.7	65.4	4.6	110.9	G193 V194 L195 S199 Q200 Y293 P301 E559	G193-R197 WeakPolarHBondContact O-CD 3.36Å; G193-R197 WeakPolarHBondContact O-CG 3.45Å; G193-R197 PolarHBondContact O-NH1 3Å; V194-R197 WeakPolarHBondContact O-CB 3.23Å; V194-R197 PolarHBondContact O-N 2.95Å; L195-R197 PolarHBondContact O-N 2.71Å; R197-S199 PolarHBondContact O-N 2.93Å; R197-Q200 PolarHBondContact O-N 3.39Å; R197-Y293 HydrophobicContact CB-CD1 3.83Å; R197-Y293 HydrophobicContact CB-CD2 4Å; R197-Y293 HydrophobicContact CB-CE1 3.58Å; R197-Y293 HydrophobicContact CB-CE2 3.78Å; R197-Y293 HydrophobicContact CB-CG 4.04Å; R197-Y293 HydrophobicContact CG-CD1 3.67Å; R197-Y293 HydrophobicContact CG-CD2 3.82Å; R197-Y293 HydrophobicContact CG-CE1 3.99Å; R197-Y293 HydrophobicContact CG-CE2 4.14Å; R197-Y293 HydrophobicContact CG-CG 3.58Å; R197-P301 HydrophobicContact CG-CB 4.43Å; R197-P301 HydrophobicContact CG-CG 4.29Å; R197-E559 IonicContact CZ-OE2 2.72Å; R197-E559 IonicContact NH1-OE2 2.69Å; R197-E559 PolarHBondContact NH1-OE2 2.91Å; R197-E559 IonicContact NH2-OE2 3.69Å; R197-E559 PolarHBondContact NH2-OE2 3.48Å
198	F	96	Very high	92.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-71.6	-31.7	-171.9	-67.2	-8	0	0	0	113.6	V159 T185 V194 Q200 I201 Q202 P203 I206 L232 Y293	V159-F198 HydrophobicContact CB-CD1 4.27Å; V159-F198 HydrophobicContact CB-CD2 4.08Å; V159-F198 HydrophobicContact CB-CE1 3.97Å; V159-F198 HydrophobicContact CB-CE2 3.77Å; V159-F198 HydrophobicContact CB-CG 4.34Å; V159-F198 HydrophobicContact CB-CZ 3.72Å; V159-F198 HydrophobicContact CG1-CD1 3.78Å; V159-F198 HydrophobicContact CG1-CD2 4.3Å; V159-F198 HydrophobicContact CG1-CE1 3.79Å; V159-F198 HydrophobicContact CG1-CE2 4.33Å; V159-F198 HydrophobicContact CG1-CG 4.06Å; V159-F198 HydrophobicContact CG1-CZ 4.09Å; V159-F198 HydrophobicContact CG2-CD2 3.89Å; V159-F198 HydrophobicContact CG2-CE2 3.89Å; V159-F198 HydrophobicContact CG2-CG 4.39Å; V159-F198 HydrophobicContact CG2-CZ 4.35Å; T185-F198 HydrophobicContact CG2-CE1 3.81Å; T185-F198 HydrophobicContact CG2-CZ 3.73Å; T185-F198 WeakPolarHBondContact OG1-CZ 3.35Å; V194-F198 HydrophobicContact CG1-CD2 3.31Å; V194-F198 HydrophobicContact CG1-CE2 3.55Å; V194-F198 HydrophobicContact CG1-CG 4Å; V194-F198 HydrophobicContact CG1-CZ 4.41Å; V194-F198 PolarHBondContact O-N 3.47Å; F198-Q200 PolarHBondContact O-N 3.36Å; F198-I201 WeakPolarHBondContact O-CG1 3.34Å; F198-I201 PolarHBondContact O-N 3.03Å; F198-I201 VanDerWaalsContact O-N 3.16Å; F198-Q202 PolarHBondContact O-N 3.45Å; F198-P203 HydrophobicContact CB-CG 4.38Å; F198-P203 WeakPolarHBondContact O-CD 3.32Å; F198-I206 HydrophobicContact CD2-CD1 4.48Å; F198-I206 HydrophobicContact CE2-CD1 4.27Å; F198-L232 HydrophobicContact CB-CD1 4.13Å; F198-L232 HydrophobicContact CB-CD2 3.87Å; F198-L232 HydrophobicContact CD2-CD1 4.39Å; F198-Y293 HydrophobicContact CE1-CE2 4.5Å
199	S	95.3	Very high	93.4	Very high	59 Å²	59	22.1 Å²	22.1	41%	0.413	12%	0.116	S	C	.	.	H	α-helix	trans	-63.8	-30.1	177.8	68.6	0	0	0	0	112.3	L195 R197 I201	L195-S199 WeakPolarHBondContact O-CB 3.17Å; L195-S199 PolarHBondContact O-N 2.82Å; L195-S199 PolarHBondContact O-OG 2.98Å; R197-S199 PolarHBondContact O-N 2.93Å; S199-I201 VanDerWaalsContact C-N 3.26Å; S199-I201 PolarHBondContact O-N 3.42Å
200	Q	94.6	Very high	93.8	Very high	36 Å²	36	21.2 Å²	21.2	17%	0.168	11%	0.112	C	C	.	.	H	α-helix	trans	-67	-27.7	178.5	-60.8	-167.7	68.1	0	0	112.4	D196 R197 F198 P301 C303 N504	D196-Q200 PolarHBondContact O-NE2 3.5Å; R197-Q200 PolarHBondContact O-N 3.39Å; F198-Q200 PolarHBondContact O-N 3.36Å; Q200-P301 PolarHBondContact NE2-O 2.89Å; Q200-C303 PolarHBondContact NE2-SG 2.86Å; Q200-C303 PolarHBondContact OE1-SG 3.3Å; Q200-N504 PolarHBondContact O-ND2 2.76Å
201	I	96.6	Very high	94.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-108.9	-2.4	-171.9	68.7	162.9	0	0	0	113.5	R157 V159 F198 S199 I291 Y293 W503	R157-I201 HydrophobicContact CB-CD1 4.14Å; R157-I201 HydrophobicContact CG-CB 4.2Å; R157-I201 HydrophobicContact CG-CD1 4.05Å; R157-I201 HydrophobicContact CG-CG1 4.42Å; R157-I201 PolarHBondContact NE-O 2.76Å; R157-I201 PolarHBondContact NH2-O 3.46Å; V159-I201 HydrophobicContact CG1-CD1 3.81Å; F198-I201 WeakPolarHBondContact O-CG1 3.34Å; F198-I201 PolarHBondContact O-N 3.03Å; F198-I201 VanDerWaalsContact O-N 3.16Å; S199-I201 VanDerWaalsContact C-N 3.26Å; S199-I201 PolarHBondContact O-N 3.42Å; I201-I291 HydrophobicContact CB-CD1 4.03Å; I201-I291 HydrophobicContact CD1-CD1 4.2Å; I201-I291 HydrophobicContact CG2-CD1 3.73Å; I201-I291 HydrophobicContact CG2-CG2 4.03Å; I201-Y293 VanDerWaalsContact CD1-OH 3.29Å; I201-Y293 WeakPolarHBondContact CD1-OH 3.11Å; I201-W503 HydrophobicContact CG2-CD2 4.49Å; I201-W503 HydrophobicContact CG2-CG 4.09Å
202	Q	97	Very high	94.4	Very high	92 Å²	92	20.1 Å²	20.1	43%	0.43	11%	0.105	S	C	.	.			trans	44.8	67.3	175.4	-57.7	-179.2	-67.7	0	0	112.7	R157 F198 D234	R157-Q202 PolarHBondContact NH2-O 3.34Å; R157-Q202 VanDerWaalsContact NH2-O 3.1Å; F198-Q202 PolarHBondContact O-N 3.45Å; Q202-D234 HydrophobicContact CB-CB 4.14Å; Q202-D234 WeakPolarHBondContact CG-OD2 3.09Å; Q202-D234 PolarHBondContact NE2-OD2 2.87Å
203	P	98.3	Very high	94.9	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.096	C	C	.	.			trans	-74.7	147.6	-176.6	33	-36.1	0	0	0	111.9	R157 V159 F198 L232 L235	R157-P203 HydrophobicContact CB-CB 4.09Å; R157-P203 WeakPolarHBondContact O-CA 3.38Å; R157-P203 WeakPolarHBondContact O-CB 3.41Å; V159-P203 HydrophobicContact CB-CB 4.3Å; V159-P203 HydrophobicContact CG1-CB 3.63Å; V159-P203 HydrophobicContact CG1-CG 3.97Å; V159-P203 HydrophobicContact CG2-CB 3.75Å; V159-P203 HydrophobicContact CG2-CG 3.76Å; F198-P203 HydrophobicContact CB-CG 4.38Å; F198-P203 WeakPolarHBondContact O-CD 3.32Å; P203-L232 HydrophobicContact CG-CD1 4.39Å; P203-L235 HydrophobicContact CG-CD1 4.5Å
204	K	98.6	Very high	95.3	Very high	54 Å²	54	22.7 Å²	22.7	24%	0.235	11%	0.113	C	C	.	.	S	Bend	trans	-89.7	-25.8	178	-69.2	-171.8	-178.2	169.4	0	113.2	M150 I152 D156 R157 N236 K237	M150-K204 WeakPolarHBondContact CE-O 3.4Å; I152-K204 HydrophobicContact CD1-CB 3.86Å; I152-K204 HydrophobicContact CD1-CD 4.47Å; D156-K204 HydrophobicContact CB-CD 4.2Å; D156-K204 WeakPolarHBondContact OD1-CE 3.22Å; D156-K204 IonicContact OD1-NZ 3.6Å; D156-K204 PolarHBondContact OD1-NZ 3.47Å; D156-K204 WeakPolarHBondContact OD2-CD 3.25Å; D156-K204 IonicContact OD2-NZ 3.67Å; D156-K204 PolarHBondContact OD2-NZ 3.14Å; R157-K204 PolarHBondContact O-N 3.44Å; K204-N236 WeakPolarHBondContact O-CB 3.5Å; K204-N236 PolarHBondContact O-N 2.84Å; K204-K237 PolarHBondContact O-N 2.81Å
205	L	98.8	Very high	95.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	134.1	-175.2	172	60.3	0	0	0	110.2	M147 M150 I152 V158 V159 F207 K237 V239 F264	M147-L205 HydrophobicContact CG-CD2 3.89Å; M147-L205 HydrophobicContact SD-CD2 4.47Å; M150-L205 HydrophobicContact CE-CB 4.12Å; M150-L205 HydrophobicContact SD-CB 4.12Å; M150-L205 HydrophobicContact SD-CD1 3.94Å; M150-L205 HydrophobicContact SD-CD2 4Å; M150-L205 HydrophobicContact SD-CG 4.25Å; I152-L205 HydrophobicContact CD1-CB 4.09Å; I152-L205 HydrophobicContact CG1-CD2 4.36Å; V158-L205 HydrophobicContact CG1-CB 4.27Å; V158-L205 HydrophobicContact CG1-CD2 4.05Å; V158-L205 HydrophobicContact CG1-CG 4.11Å; V158-L205 HydrophobicContact CG2-CB 4.39Å; V159-L205 WeakPolarHBondContact CG2-O 3.29Å; V159-L205 PolarHBondContact N-O 3.16Å; L205-F207 HydrophobicContact CD1-CE2 4.28Å; L205-F207 HydrophobicContact CD1-CZ 4.41Å; L205-F207 HydrophobicContact CD2-CD2 4.43Å; L205-F207 HydrophobicContact CD2-CE2 3.43Å; L205-F207 VanDerWaalsContact CD2-CE2 3.43Å; L205-F207 HydrophobicContact CD2-CZ 3.68Å; L205-F207 HydrophobicContact CG-CD2 4.25Å; L205-F207 HydrophobicContact CG-CE2 3.7Å; L205-F207 HydrophobicContact CG-CZ 4.2Å; L205-K237 HydrophobicContact CD1-CB 3.91Å; L205-K237 HydrophobicContact CD1-CG 4.21Å; L205-V239 HydrophobicContact CD1-CG2 3.76Å; L205-F264 HydrophobicContact CD2-CZ 4.21Å
206	I	98.8	Very high	95.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.5	170.6	-174.8	165.3	0	0	0	110.8	V159 F198 L225 V228 L235 K237 V238 V239	V159-I206 HydrophobicContact CG2-CB 3.69Å; V159-I206 HydrophobicContact CG2-CD1 4.14Å; V159-I206 HydrophobicContact CG2-CG1 3.81Å; V159-I206 CarbonylContact O-C 3.52Å; V159-I206 VanDerWaalsContact O-CA 3.28Å; V159-I206 WeakPolarHBondContact O-CA 3.18Å; F198-I206 HydrophobicContact CD2-CD1 4.48Å; F198-I206 HydrophobicContact CE2-CD1 4.27Å; I206-L225 HydrophobicContact CD1-CD1 4.12Å; I206-V228 HydrophobicContact CD1-CG1 4.5Å; I206-L235 HydrophobicContact CB-CD1 4.07Å; I206-L235 HydrophobicContact CG2-CD1 3.96Å; I206-L235 HydrophobicContact CG2-CD2 3.67Å; I206-L235 HydrophobicContact CG2-CG 4.32Å; I206-K237 PolarHBondContact N-O 2.9Å; I206-K237 VanDerWaalsContact N-O 3.16Å; I206-V238 HydrophobicContact CG2-CB 3.98Å; I206-V238 HydrophobicContact CG2-CG1 3.83Å; I206-V238 HydrophobicContact CG2-CG2 3.81Å; I206-V239 PolarHBondContact O-N 2.81Å
207	F	98.9	Very high	95.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.3	164.2	-67.2	-89.3	0	0	0	109.7	F143 M147 V158 V159 Y161 L162 A171 W182 L205 V239 L261 F264	F143-F207 HydrophobicContact CD1-CE1 4.11Å; F143-F207 HydrophobicContact CD1-CZ 4.19Å; F143-F207 HydrophobicContact CE1-CD1 4.35Å; F143-F207 AromaticContact CE1-CE1 3.83Å; F143-F207 HydrophobicContact CE1-CE1 3.83Å; F143-F207 HydrophobicContact CE1-CZ 4.35Å; M147-F207 HydrophobicContact CE-CE2 3.57Å; M147-F207 HydrophobicContact CE-CZ 3.61Å; V158-F207 HydrophobicContact CG1-CD2 4.05Å; V158-F207 HydrophobicContact CG1-CE2 3.77Å; V159-F207 PolarHBondContact O-N 2.8Å; Y161-F207 PolarHBondContact N-O 3.18Å; L162-F207 HydrophobicContact CD1-CB 3.84Å; L162-F207 HydrophobicContact CD2-CB 4.22Å; L162-F207 HydrophobicContact CG-CB 4.25Å; A171-F207 HydrophobicContact CB-CD2 3.95Å; A171-F207 HydrophobicContact CB-CE2 4.1Å; A171-F207 HydrophobicContact CB-CG 4.17Å; A171-F207 HydrophobicContact CB-CZ 4.44Å; W182-F207 HydrophobicContact CZ3-CD2 4.32Å; L205-F207 HydrophobicContact CD1-CE2 4.28Å; L205-F207 HydrophobicContact CD1-CZ 4.41Å; L205-F207 HydrophobicContact CD2-CD2 4.43Å; L205-F207 HydrophobicContact CD2-CE2 3.43Å; L205-F207 VanDerWaalsContact CD2-CE2 3.43Å; L205-F207 HydrophobicContact CD2-CZ 3.68Å; L205-F207 HydrophobicContact CG-CD2 4.25Å; L205-F207 HydrophobicContact CG-CE2 3.7Å; L205-F207 HydrophobicContact CG-CZ 4.2Å; F207-V239 WeakPolarHBondContact CA-O 3.4Å; F207-V239 HydrophobicContact CD1-CB 3.69Å; F207-V239 HydrophobicContact CD1-CG1 3.75Å; F207-V239 HydrophobicContact CD1-CG2 4.45Å; F207-V239 HydrophobicContact CE1-CB 3.81Å; F207-V239 HydrophobicContact CE1-CG1 3.77Å; F207-V239 HydrophobicContact CE1-CG2 4.12Å; F207-V239 HydrophobicContact CG-CB 4.48Å; F207-L261 HydrophobicContact CD1-CD1 4.48Å; F207-L261 HydrophobicContact CE1-CD1 4.19Å; F207-F264 HydrophobicContact CE1-CD1 4.31Å; F207-F264 HydrophobicContact CE1-CE1 4.14Å; F207-F264 AromaticContact CZ-CE1 3.95Å; F207-F264 HydrophobicContact CZ-CE1 3.95Å
208	S	98.4	Very high	96	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	168.3	179.2	-171.2	0	0	0	0	111.4	H221 V239 V240 I241	S208-H221 PolarHBondContact OG-CD2 2.72Å; S208-V239 PolarHBondContact N-O 2.9Å; S208-V240 CarbonylContact O-C 3.51Å; S208-V240 WeakPolarHBondContact O-CA 3.48Å; S208-I241 PolarHBondContact O-N 2.62Å
209	V	97.2	Very high	95.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	159.1	174	-64.3	0	0	0	0	111.6	L162 P163 V187 V212 H221 I241 Y243	L162-V209 HydrophobicContact CD2-CG1 3.97Å; P163-V209 VanDerWaalsContact CD-CG1 3.45Å; P163-V209 HydrophobicContact CG-CG1 3.95Å; V187-V209 HydrophobicContact CG1-CG2 3.73Å; V209-V212 HydrophobicContact CG2-CG1 3.73Å; V209-H221 WeakPolarHBondContact O-CB 3.23Å; V209-H221 PolarHBondContact O-CD2 3.49Å; V209-I241 HydrophobicContact CG1-CB 4.24Å; V209-I241 HydrophobicContact CG1-CD1 4.48Å; V209-Y243 HydrophobicContact CB-CG 4.48Å; V209-Y243 HydrophobicContact CG1-CD1 4.24Å; V209-Y243 HydrophobicContact CG1-CG 3.94Å
210	A	94.6	Very high	95.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-75	-41.2	174.3	0	0	0	0	0	113.3	H221 M222 V240 I241 L245 T250	A210-H221 VanDerWaalsContact O-CB 3.27Å; A210-H221 WeakPolarHBondContact O-CB 3.47Å; A210-H221 PolarHBondContact O-N 3.41Å; A210-M222 HydrophobicContact CB-SD 4.11Å; A210-V240 HydrophobicContact CB-CG1 4.34Å; A210-I241 PolarHBondContact N-O 3.47Å; A210-L245 HydrophobicContact CB-CB 4.3Å; A210-L245 HydrophobicContact CB-CD1 4.5Å; A210-T250 HydrophobicContact CB-CG2 3.78Å
211	A	95.5	Very high	95.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	164	178.2	0	0	0	0	0	110.7	T218 H219 V244 L245	A211-T218 HydrophobicContact CB-CG2 4.1Å; A211-H219 VanDerWaalsContact CA-O 3.28Å; A211-H219 WeakPolarHBondContact CA-O 3.49Å; A211-H219 WeakPolarHBondContact CB-O 3.08Å; A211-V244 HydrophobicContact CB-CB 4.14Å; A211-V244 WeakPolarHBondContact O-CG2 3.43Å; A211-L245 HydrophobicContact CB-CD1 4.05Å; A211-L245 HydrophobicContact CB-CG 3.9Å
212	V	94.8	Very high	95.6	Very high	9 Å²	9	40.2 Å²	40.2	6%	0.055	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158.9	173.9	-64.1	0	0	0	0	111.2	P163 V187 V209 T218 H219 Y243	P163-V212 HydrophobicContact CB-CG1 4.19Å; P163-V212 HydrophobicContact CG-CG1 4.17Å; V187-V212 HydrophobicContact CB-CG1 4.19Å; V187-V212 HydrophobicContact CB-CG2 4.4Å; V187-V212 HydrophobicContact CG1-CG1 4Å; V187-V212 HydrophobicContact CG2-CB 4.41Å; V187-V212 HydrophobicContact CG2-CG1 3.92Å; V187-V212 HydrophobicContact CG2-CG2 3.94Å; V209-V212 HydrophobicContact CG2-CG1 3.73Å; V212-T218 CarbonylContact O-C 3.58Å; V212-T218 WeakPolarHBondContact O-CA 3.19Å; V212-H219 HydrophobicContact CG2-CB 4.2Å; V212-H219 PolarHBondContact N-O 2.9Å; V212-H219 VanDerWaalsContact N-O 3.09Å; V212-H219 PolarHBondContact O-N 3.49Å; V212-Y243 HydrophobicContact CG1-CD1 4.26Å; V212-Y243 HydrophobicContact CG1-CE1 4.31Å
213	V	95.6	Very high	95.4	Very high	34 Å²	34	42.2 Å²	42.2	21%	0.206	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.1	170.7	179	0	0	0	0	108.6	E123 K217 V244	E123-V213 HydrophobicContact CB-CG1 4.21Å; E123-V213 HydrophobicContact CG-CG1 4.35Å; V213-K217 WeakPolarHBondContact CA-O 3.45Å; V213-V244 HydrophobicContact CG2-CG1 4.11Å; V213-V244 HydrophobicContact CG2-CG2 4.07Å
214	Y	93.5	Very high	95.2	Very high	95 Å²	95	45 Å²	45	37%	0.373	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	127.6	173.1	-171.6	-90.3	0	0	0	110.8	E123 K217 H219	E123-Y214 WeakPolarHBondContact OE2-CA 3.35Å; Y214-K217 PolarHBondContact N-O 2.83Å; Y214-K217 PolarHBondContact O-N 3.05Å; Y214-H219 PolarHBondContact O-NE2 3.35Å
215	N	91.4	Very high	95.2	Very high	82 Å²	82	42.4 Å²	42.4	44%	0.439	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	48.2	177.5	-164.8	59.7	0	0	0	113.3	E123 K217	E123-N215 WeakPolarHBondContact OE1-CA 3.3Å; E123-N215 PolarHBondContact OE1-N 3.01Å; E123-N215 PolarHBondContact OE2-N 3.46Å; N215-K217 PolarHBondContact O-N 2.81Å
216	G	93	Very high	95.1	Very high	53 Å²	53	46.9 Å²	46.9	55%	0.546	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	9.2	177.7	0	0	0	0	0	114.2	E123	E123-G216 PolarHBondContact OE1-N 3.37Å
217	K	93.5	Very high	95	Very high	137 Å²	137	49.6 Å²	49.6	60%	0.596	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.1	-173.8	-63.1	-176.9	-177.7	-176.2	0	111.4	V213 Y214 N215 H219	V213-K217 WeakPolarHBondContact CA-O 3.45Å; Y214-K217 PolarHBondContact N-O 2.83Å; Y214-K217 PolarHBondContact O-N 3.05Å; N215-K217 PolarHBondContact O-N 2.81Å; K217-H219 PolarHBondContact O-CD2 3.3Å; K217-H219 PolarHBondContact O-NE2 3.29Å
218	T	95.4	Very high	94.9	Very high	86 Å²	86	49.6 Å²	49.6	53%	0.528	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128	167.1	-55.2	0	0	0	0	109.3	A211 V212 V244	A211-T218 HydrophobicContact CB-CG2 4.1Å; V212-T218 CarbonylContact O-C 3.58Å; V212-T218 WeakPolarHBondContact O-CA 3.19Å; T218-V244 HydrophobicContact CG2-CG1 4.03Å
219	H	92	Very high	94.9	Very high	85 Å²	85	50.1 Å²	50.1	39%	0.394	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.4	176.6	-58.5	-92.3	0	0	0	108.9	A211 V212 Y214 K217	A211-H219 VanDerWaalsContact CA-O 3.28Å; A211-H219 WeakPolarHBondContact CA-O 3.49Å; A211-H219 WeakPolarHBondContact CB-O 3.08Å; V212-H219 HydrophobicContact CG2-CB 4.2Å; V212-H219 PolarHBondContact N-O 2.9Å; V212-H219 VanDerWaalsContact N-O 3.09Å; V212-H219 PolarHBondContact O-N 3.49Å; Y214-H219 PolarHBondContact O-NE2 3.35Å; K217-H219 PolarHBondContact O-CD2 3.3Å; K217-H219 PolarHBondContact O-NE2 3.29Å
220	D	92.6	Very high	94.8	Very high	92 Å²	92	56.4 Å²	56.4	49%	0.492	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	138.6	170.8	-177.3	-79	0	0	0	110.4	M222 E223	D220-M222 PolarHBondContact OD1-N 3.29Å; D220-E223 PolarHBondContact OD1-N 2.59Å
221	H	94.3	Very high	94.9	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.009	30%	0.297	C	S	.	.			trans	-114.6	-11.9	-178.9	-156.2	73.9	0	0	0	113.6	Y161 V187 S208 V209 A210 K224 L225	Y161-H221 AromaticContact CD1-NE2 3.23Å; Y161-H221 WeakPolarHBondContact CD1-NE2 3.48Å; Y161-H221 AromaticContact CD2-CE1 3.91Å; Y161-H221 AromaticContact CD2-NE2 3.7Å; Y161-H221 AromaticContact CE1-CE1 3.51Å; Y161-H221 AromaticContact CE1-NE2 3.08Å; Y161-H221 WeakPolarHBondContact CE1-NE2 3.45Å; Y161-H221 AromaticContact CE2-CE1 3.39Å; Y161-H221 WeakPolarHBondContact CE2-CE1 3.35Å; Y161-H221 AromaticContact CE2-NE2 3.57Å; Y161-H221 AromaticContact CG-NE2 3.53Å; Y161-H221 AromaticContact CZ-CE1 3.13Å; Y161-H221 AromaticContact CZ-NE2 3.23Å; Y161-H221 PolarHBondContact OH-CE1 3.47Å; Y161-H221 VanDerWaalsContact OH-CE1 3.31Å; V187-H221 PolarHBondContact O-CE1 3.38Å; V187-H221 VanDerWaalsContact O-CE1 3.31Å; S208-H221 PolarHBondContact OG-CD2 2.72Å; V209-H221 WeakPolarHBondContact O-CB 3.23Å; V209-H221 PolarHBondContact O-CD2 3.49Å; A210-H221 VanDerWaalsContact O-CB 3.27Å; A210-H221 WeakPolarHBondContact O-CB 3.47Å; A210-H221 PolarHBondContact O-N 3.41Å; H221-K224 WeakPolarHBondContact ND1-CE 3.35Å; H221-K224 PolarHBondContact O-N 2.9Å; H221-L225 WeakPolarHBondContact O-CB 3.45Å; H221-L225 PolarHBondContact O-N 3.18Å
222	M	95.3	Very high	95	Very high	21 Å²	21	58.2 Å²	58.2	10%	0.103	30%	0.299	C	S	.	.	H	α-helix	trans	-69.3	-40.1	-168.1	-66.5	-57.5	-73	0	0	112.5	A210 D220 L225 R226 V240 T250 D251 L252 I255	A210-M222 HydrophobicContact CB-SD 4.11Å; D220-M222 PolarHBondContact OD1-N 3.29Å; M222-L225 PolarHBondContact O-N 3.43Å; M222-R226 WeakPolarHBondContact O-CB 3.46Å; M222-R226 PolarHBondContact O-N 3.46Å; M222-V240 HydrophobicContact SD-CG1 4.21Å; M222-T250 HydrophobicContact CE-CG2 3.81Å; M222-T250 HydrophobicContact SD-CG2 4.05Å; M222-D251 WeakPolarHBondContact CE-O 3.42Å; M222-L252 HydrophobicContact CE-CD2 3.65Å; M222-I255 HydrophobicContact CE-CD1 3.45Å; M222-I255 VanDerWaalsContact CE-CD1 3.45Å; M222-I255 HydrophobicContact CE-CG1 4.44Å; M222-I255 HydrophobicContact SD-CD1 4.33Å
223	E	94	Very high	95	Very high	135 Å²	135	63.3 Å²	63.3	63%	0.631	33%	0.333	S	S	*	.	H	α-helix	trans	-64.5	-42.5	177.1	-169.5	-174	169.3	0	0	111.5	D220 R226 N227	D220-E223 PolarHBondContact OD1-N 2.59Å; E223-R226 PolarHBondContact O-N 3.44Å; E223-N227 PolarHBondContact O-N 2.95Å; E223-N227 PolarHBondContact O-ND2 2.82Å
224	K	93.9	Very high	94.9	Very high	58 Å²	58	65.1 Å²	65.1	25%	0.252	34%	0.341	S	S	.	.	H	α-helix	trans	-63.3	-48.4	177	-65.2	-165.9	-62.5	167.2	0	110.6	Y161 V187 F189 V191 H221 R226 N227 V228	Y161-K224 PolarHBondContact OH-NZ 3.37Å; V187-K224 PolarHBondContact O-NZ 2.98Å; F189-K224 PolarHBondContact O-NZ 3.29Å; V191-K224 HydrophobicContact CG2-CB 4.46Å; H221-K224 WeakPolarHBondContact ND1-CE 3.35Å; H221-K224 PolarHBondContact O-N 2.9Å; K224-R226 VanDerWaalsContact C-N 3.34Å; K224-R226 PolarHBondContact O-N 3.15Å; K224-N227 PolarHBondContact O-N 3.17Å; K224-V228 WeakPolarHBondContact O-CG2 3.48Å; K224-V228 PolarHBondContact O-N 3.2Å
225	L	97.3	Very high	95.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-57.7	-46.6	178.2	179.5	60.7	0	0	0	111.5	I206 H221 M222 N227 V228 V229 V238 V240 I255	I206-L225 HydrophobicContact CD1-CD1 4.12Å; H221-L225 WeakPolarHBondContact O-CB 3.45Å; H221-L225 PolarHBondContact O-N 3.18Å; M222-L225 PolarHBondContact O-N 3.43Å; L225-N227 VanDerWaalsContact C-N 3.28Å; L225-N227 PolarHBondContact O-N 2.92Å; L225-V228 PolarHBondContact O-N 3.21Å; L225-V229 HydrophobicContact CD1-CG2 4.05Å; L225-V229 HydrophobicContact CG-CG2 4.32Å; L225-V229 WeakPolarHBondContact O-CG2 3.42Å; L225-V229 PolarHBondContact O-N 3.04Å; L225-V238 HydrophobicContact CD1-CG1 4.45Å; L225-V238 HydrophobicContact CD2-CG1 4.14Å; L225-V240 HydrophobicContact CD2-CG2 3.9Å; L225-I255 HydrophobicContact CB-CD1 4.26Å; L225-I255 HydrophobicContact CD2-CD1 3.69Å; L225-I255 HydrophobicContact CG-CD1 3.92Å
226	R	97.4	Very high	95.4	Very high	94 Å²	94	61.7 Å²	61.7	36%	0.355	33%	0.329	S	S	.	.	H	α-helix	trans	-54.5	-44.4	176.8	-177.7	-177.8	-175.8	-160.2	-1	112.3	M222 E223 K224 K230 K254 I255	M222-R226 WeakPolarHBondContact O-CB 3.46Å; M222-R226 PolarHBondContact O-N 3.46Å; E223-R226 PolarHBondContact O-N 3.44Å; K224-R226 VanDerWaalsContact C-N 3.34Å; K224-R226 PolarHBondContact O-N 3.15Å; R226-K230 WeakPolarHBondContact O-CG 3.32Å; R226-K230 PolarHBondContact O-N 3.04Å; R226-K254 WeakPolarHBondContact CD-O 3.45Å; R226-K254 WeakPolarHBondContact CG-O 3.26Å; R226-K254 PolarHBondContact NE-O 3.16Å; R226-K254 VanDerWaalsContact NE-O 3.15Å; R226-I255 HydrophobicContact CB-CD1 4.47Å; R226-I255 HydrophobicContact CB-CG1 4.07Å; R226-I255 HydrophobicContact CG-CG1 4.46Å
227	N	96.4	Very high	95.6	Very high	58 Å²	58	62.1 Å²	62.1	31%	0.31	32%	0.316	S	S	.	.	H	α-helix	trans	-72.6	-34.8	-178.8	-69.5	-32	0	0	0	112.3	V191 E223 K224 L225 G231	V191-N227 HydrophobicContact CG1-CB 3.92Å; V191-N227 HydrophobicContact CG2-CB 3.74Å; E223-N227 PolarHBondContact O-N 2.95Å; E223-N227 PolarHBondContact O-ND2 2.82Å; K224-N227 PolarHBondContact O-N 3.17Å; L225-N227 VanDerWaalsContact C-N 3.28Å; L225-N227 PolarHBondContact O-N 2.92Å; N227-G231 PolarHBondContact O-N 2.88Å
228	V	97.1	Very high	95.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-49.2	171.1	168.8	0	0	0	0	110.7	Y161 V191 V194 L195 I206 K224 L225 K230 G231 L232	Y161-V228 HydrophobicContact CE1-CG2 4.22Å; V191-V228 HydrophobicContact CB-CG2 4.4Å; V191-V228 HydrophobicContact CG1-CG2 4.11Å; V191-V228 HydrophobicContact CG2-CG2 4.46Å; V194-V228 HydrophobicContact CB-CG1 4.45Å; V194-V228 HydrophobicContact CB-CG2 3.89Å; V194-V228 HydrophobicContact CG1-CB 4.45Å; V194-V228 HydrophobicContact CG1-CG1 3.6Å; V194-V228 HydrophobicContact CG1-CG2 3.92Å; V194-V228 HydrophobicContact CG2-CG2 4.39Å; L195-V228 HydrophobicContact CD2-CG1 4.33Å; L195-V228 WeakPolarHBondContact CD2-O 3.44Å; I206-V228 HydrophobicContact CD1-CG1 4.5Å; K224-V228 WeakPolarHBondContact O-CG2 3.48Å; K224-V228 PolarHBondContact O-N 3.2Å; L225-V228 PolarHBondContact O-N 3.21Å; V228-K230 VanDerWaalsContact C-N 3.27Å; V228-K230 PolarHBondContact O-N 3.17Å; V228-G231 WeakPolarHBondContact O-CA 3.37Å; V228-G231 PolarHBondContact O-N 3.43Å; V228-L232 HydrophobicContact CG1-CD1 3.8Å; V228-L232 HydrophobicContact CG1-CG 4.45Å; V228-L232 PolarHBondContact O-N 3.4Å
229	V	97.8	Very high	96	Very high	11 Å²	11	51.5 Å²	51.5	7%	0.067	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-39.1	-179.1	169.8	0	0	0	0	111.6	L225 G231 L232 L235 V238 I255 P256	L225-V229 HydrophobicContact CD1-CG2 4.05Å; L225-V229 HydrophobicContact CG-CG2 4.32Å; L225-V229 WeakPolarHBondContact O-CG2 3.42Å; L225-V229 PolarHBondContact O-N 3.04Å; V229-G231 PolarHBondContact O-N 3.03Å; V229-L232 PolarHBondContact O-N 3.13Å; V229-L232 VanDerWaalsContact O-N 3.14Å; V229-L235 HydrophobicContact CB-CD2 4.45Å; V229-L235 HydrophobicContact CG1-CD2 4.12Å; V229-L235 HydrophobicContact CG2-CD2 4.02Å; V229-V238 HydrophobicContact CG1-CG2 4.02Å; V229-V238 HydrophobicContact CG2-CG1 4.36Å; V229-V238 HydrophobicContact CG2-CG2 3.61Å; V229-I255 HydrophobicContact CB-CG2 4.36Å; V229-I255 HydrophobicContact CG1-CG2 4.28Å; V229-I255 HydrophobicContact CG2-CG2 4Å; V229-P256 HydrophobicContact CG1-CG 3.68Å
230	K	96.7	Very high	96.3	Very high	132 Å²	132	47.5 Å²	47.5	57%	0.574	24%	0.244	S	C	*	.	H	α-helix	trans	-60	-30	174	-74.7	175.4	-179.3	176.8	0	113.9	R226 V228	R226-K230 WeakPolarHBondContact O-CG 3.32Å; R226-K230 PolarHBondContact O-N 3.04Å; V228-K230 VanDerWaalsContact C-N 3.27Å; V228-K230 PolarHBondContact O-N 3.17Å
231	G	96.1	Very high	96.6	Very high	30 Å²	30	43.3 Å²	43.3	31%	0.309	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	3.1	178.8	0	0	0	0	0	114.4	N227 V228 V229 P233	N227-G231 PolarHBondContact O-N 2.88Å; V228-G231 WeakPolarHBondContact O-CA 3.37Å; V228-G231 PolarHBondContact O-N 3.43Å; V229-G231 PolarHBondContact O-N 3.03Å; G231-P233 WeakPolarHBondContact O-CD 3.41Å
232	L	97.3	Very high	96.4	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.042	23%	0.234	C	C	.	.			trans	-120.6	79.9	-179.9	-62.9	177.5	0	0	0	110	L195 F198 P203 V228 V229 D234 L235	L195-L232 HydrophobicContact CD2-CD2 3.99Å; L195-L232 HydrophobicContact CD2-CG 3.97Å; F198-L232 HydrophobicContact CB-CD1 4.13Å; F198-L232 HydrophobicContact CB-CD2 3.87Å; F198-L232 HydrophobicContact CD2-CD1 4.39Å; P203-L232 HydrophobicContact CG-CD1 4.39Å; V228-L232 HydrophobicContact CG1-CD1 3.8Å; V228-L232 HydrophobicContact CG1-CG 4.45Å; V228-L232 PolarHBondContact O-N 3.4Å; V229-L232 PolarHBondContact O-N 3.13Å; V229-L232 VanDerWaalsContact O-N 3.14Å; L232-D234 VanDerWaalsContact C-N 3.27Å; L232-D234 PolarHBondContact O-N 3.01Å; L232-L235 HydrophobicContact CB-CB 4.13Å; L232-L235 HydrophobicContact CB-CD2 4.49Å; L232-L235 VanDerWaalsContact O-CB 3.24Å; L232-L235 WeakPolarHBondContact O-CB 3.42Å; L232-L235 PolarHBondContact O-N 3.42Å
233	P	94.6	Very high	96	Very high	117 Å²	117	45.3 Å²	45.3	76%	0.76	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-25.2	-173.8	27.1	-35.4	0	0	0	114.1	G231 L235	G231-P233 WeakPolarHBondContact O-CD 3.41Å; P233-L235 PolarHBondContact O-N 3.45Å
234	D	94.5	Very high	95.8	Very high	71 Å²	71	41.3 Å²	41.3	38%	0.38	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	3.5	-179	-57.2	-62.1	0	0	0	113.6	Q202 L232 N236	Q202-D234 HydrophobicContact CB-CB 4.14Å; Q202-D234 WeakPolarHBondContact CG-OD2 3.09Å; Q202-D234 PolarHBondContact NE2-OD2 2.87Å; L232-D234 VanDerWaalsContact C-N 3.27Å; L232-D234 PolarHBondContact O-N 3.01Å; D234-N236 PolarHBondContact O-N 3.38Å
235	L	97.3	Very high	95.6	Very high	13 Å²	13	40.5 Å²	40.5	7%	0.068	22%	0.216	C	C	.	.			trans	-80.4	117.9	-175.4	-168.8	72.8	0	0	0	111.3	P203 I206 V229 L232 P233 V238	P203-L235 HydrophobicContact CG-CD1 4.5Å; I206-L235 HydrophobicContact CB-CD1 4.07Å; I206-L235 HydrophobicContact CG2-CD1 3.96Å; I206-L235 HydrophobicContact CG2-CD2 3.67Å; I206-L235 HydrophobicContact CG2-CG 4.32Å; V229-L235 HydrophobicContact CB-CD2 4.45Å; V229-L235 HydrophobicContact CG1-CD2 4.12Å; V229-L235 HydrophobicContact CG2-CD2 4.02Å; L232-L235 HydrophobicContact CB-CB 4.13Å; L232-L235 HydrophobicContact CB-CD2 4.49Å; L232-L235 VanDerWaalsContact O-CB 3.24Å; L232-L235 WeakPolarHBondContact O-CB 3.42Å; L232-L235 PolarHBondContact O-N 3.42Å; P233-L235 PolarHBondContact O-N 3.45Å; L235-V238 HydrophobicContact CD2-CG2 3.66Å
236	N	97.2	Very high	95.3	Very high	93 Å²	93	42.4 Å²	42.4	50%	0.497	23%	0.23	S	C	.	.			trans	-86.1	-30.7	-178.6	-68.7	-8.4	0	0	0	112.7	M150 K204 D234 N257	M150-N236 HydrophobicContact CE-CB 3.53Å; K204-N236 WeakPolarHBondContact O-CB 3.5Å; K204-N236 PolarHBondContact O-N 2.84Å; D234-N236 PolarHBondContact O-N 3.38Å; N236-N257 WeakPolarHBondContact O-CB 3.48Å
237	K	98.1	Very high	95	Very high	61 Å²	61	41.4 Å²	41.4	27%	0.265	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	144.3	-176.3	-165.7	73.9	78.1	149.2	0	113	M150 K204 L205 I206 V239 N257 E259	M150-K237 HydrophobicContact CE-CB 3.35Å; M150-K237 HydrophobicContact CG-CB 4.49Å; M150-K237 HydrophobicContact SD-CB 3.65Å; M150-K237 HydrophobicContact SD-CG 4.26Å; K204-K237 PolarHBondContact O-N 2.81Å; L205-K237 HydrophobicContact CD1-CB 3.91Å; L205-K237 HydrophobicContact CD1-CG 4.21Å; I206-K237 PolarHBondContact N-O 2.9Å; I206-K237 VanDerWaalsContact N-O 3.16Å; K237-V239 HydrophobicContact CG-CG2 4.16Å; K237-N257 WeakPolarHBondContact CD-O 3.36Å; K237-E259 HydrophobicContact CD-CG 4.36Å; K237-E259 WeakPolarHBondContact CD-OE1 3.21Å; K237-E259 WeakPolarHBondContact CE-OE1 3.33Å; K237-E259 IonicContact NZ-OE1 2.76Å; K237-E259 PolarHBondContact NZ-OE1 2.87Å
238	V	98.6	Very high	94.8	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119.3	171.1	-176.1	0	0	0	0	108.6	I206 L225 V229 L235 V240 I255 N257 S258 E259	I206-V238 HydrophobicContact CG2-CB 3.98Å; I206-V238 HydrophobicContact CG2-CG1 3.83Å; I206-V238 HydrophobicContact CG2-CG2 3.81Å; L225-V238 HydrophobicContact CD1-CG1 4.45Å; L225-V238 HydrophobicContact CD2-CG1 4.14Å; V229-V238 HydrophobicContact CG1-CG2 4.02Å; V229-V238 HydrophobicContact CG2-CG1 4.36Å; V229-V238 HydrophobicContact CG2-CG2 3.61Å; L235-V238 HydrophobicContact CD2-CG2 3.66Å; V238-V240 HydrophobicContact CG1-CG2 4.01Å; V238-I255 HydrophobicContact CB-CG2 4.3Å; V238-I255 HydrophobicContact CG1-CG2 4.02Å; V238-I255 HydrophobicContact CG2-CG2 4.1Å; V238-N257 PolarHBondContact N-O 3.07Å; V238-S258 CarbonylContact O-C 3.42Å; V238-S258 WeakPolarHBondContact O-CA 3.27Å; V238-E259 PolarHBondContact O-N 3.19Å
239	V	98.6	Very high	94.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.3	176.3	179.6	0	0	0	0	108.9	L205 I206 F207 S208 K237 L261 F264	L205-V239 HydrophobicContact CD1-CG2 3.76Å; I206-V239 PolarHBondContact O-N 2.81Å; F207-V239 WeakPolarHBondContact CA-O 3.4Å; F207-V239 HydrophobicContact CD1-CB 3.69Å; F207-V239 HydrophobicContact CD1-CG1 3.75Å; F207-V239 HydrophobicContact CD1-CG2 4.45Å; F207-V239 HydrophobicContact CE1-CB 3.81Å; F207-V239 HydrophobicContact CE1-CG1 3.77Å; F207-V239 HydrophobicContact CE1-CG2 4.12Å; F207-V239 HydrophobicContact CG-CB 4.48Å; S208-V239 PolarHBondContact N-O 2.9Å; K237-V239 HydrophobicContact CG-CG2 4.16Å; V239-L261 HydrophobicContact CG1-CB 4.07Å; V239-L261 HydrophobicContact CG1-CD1 3.73Å; V239-F264 HydrophobicContact CG1-CB 4.1Å; V239-F264 HydrophobicContact CG1-CD1 4.26Å; V239-F264 HydrophobicContact CG1-CG 4.29Å; V239-F264 HydrophobicContact CG2-CB 4.02Å; V239-F264 HydrophobicContact CG2-CD1 3.88Å; V239-F264 HydrophobicContact CG2-CD2 3.75Å; V239-F264 HydrophobicContact CG2-CE1 4.27Å; V239-F264 HydrophobicContact CG2-CE2 4.15Å; V239-F264 HydrophobicContact CG2-CG 3.6Å; V239-F264 HydrophobicContact CG2-CZ 4.4Å
240	V	98.4	Very high	94.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.9	-176.9	-176.2	0	0	0	0	110.8	S208 A210 M222 L225 V238 T250 L252 E259 F260 L261	S208-V240 CarbonylContact O-C 3.51Å; S208-V240 WeakPolarHBondContact O-CA 3.48Å; A210-V240 HydrophobicContact CB-CG1 4.34Å; M222-V240 HydrophobicContact SD-CG1 4.21Å; L225-V240 HydrophobicContact CD2-CG2 3.9Å; V238-V240 HydrophobicContact CG1-CG2 4.01Å; V240-T250 HydrophobicContact CG1-CG2 4.38Å; V240-L252 HydrophobicContact CB-CD2 3.83Å; V240-L252 HydrophobicContact CG1-CD2 4.07Å; V240-L252 HydrophobicContact CG2-CD2 3.69Å; V240-E259 PolarHBondContact N-O 2.96Å; V240-F260 WeakPolarHBondContact O-CA 3.33Å; V240-L261 PolarHBondContact O-N 2.8Å
241	I	97.1	Very high	94.1	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.1	179.4	-53.8	166.3	0	0	0	108.5	L162 H167 S208 V209 A210 Y243 L261	L162-I241 HydrophobicContact CD2-CD1 3.61Å; H167-I241 HydrophobicContact CB-CD1 3.51Å; S208-I241 PolarHBondContact O-N 2.62Å; V209-I241 HydrophobicContact CG1-CB 4.24Å; V209-I241 HydrophobicContact CG1-CD1 4.48Å; A210-I241 PolarHBondContact N-O 3.47Å; I241-Y243 PolarHBondContact O-N 2.86Å; I241-L261 HydrophobicContact CG1-CB 4.14Å; I241-L261 HydrophobicContact CG1-CD2 4.04Å; I241-L261 HydrophobicContact CG2-CD2 4.44Å
242	P	90.3	Very high	94.1	Very high	41 Å²	41	49.3 Å²	49.3	27%	0.266	26%	0.26	S	S	.	.			trans	-73.9	69.4	174.3	32	-33.9	0	0	0	110.3	L245	P242-L245 CarbonylContact C-O 3.58Å; P242-L245 VanDerWaalsContact C-O 3.24Å; P242-L245 VanDerWaalsContact CA-O 3.3Å; P242-L245 WeakPolarHBondContact CA-O 3.46Å; P242-L245 WeakPolarHBondContact CB-O 3.38Å
243	Y	87.3	Confident	94	Very high	24 Å²	24	53.7 Å²	53.7	9%	0.094	29%	0.291	C	S	.	.	S	Bend	trans	-79.5	-47.2	-165.1	-177.2	-111	0	0	0	113.3	R122 P163 V209 V212 I241 D359	R122-Y243 VanDerWaalsContact CD-CZ 3.45Å; R122-Y243 WeakPolarHBondContact CD-OH 3.47Å; R122-Y243 PolarHBondContact NH1-O 3.48Å; P163-Y243 HydrophobicContact CB-CE1 4.32Å; P163-Y243 HydrophobicContact CG-CD1 4.08Å; P163-Y243 HydrophobicContact CG-CE1 3.64Å; P163-Y243 HydrophobicContact CG-CE2 4.31Å; V209-Y243 HydrophobicContact CB-CG 4.48Å; V209-Y243 HydrophobicContact CG1-CD1 4.24Å; V209-Y243 HydrophobicContact CG1-CG 3.94Å; V212-Y243 HydrophobicContact CG1-CD1 4.26Å; V212-Y243 HydrophobicContact CG1-CE1 4.31Å; I241-Y243 PolarHBondContact O-N 2.86Å; Y243-D359 WeakPolarHBondContact CE1-OD2 3.14Å; Y243-D359 VanDerWaalsContact CZ-OD2 3.29Å; Y243-D359 WeakPolarHBondContact OH-CB 3.49Å; Y243-D359 PolarHBondContact OH-OD2 2.67Å
244	V	90.7	Very high	93.9	Very high	52 Å²	52	53.8 Å²	53.8	32%	0.315	28%	0.28	S	S	.	.	S	Bend	trans	-111.2	-46.2	174.2	172	0	0	0	0	111.3	A211 V213 T218	A211-V244 HydrophobicContact CB-CB 4.14Å; A211-V244 WeakPolarHBondContact O-CG2 3.43Å; V213-V244 HydrophobicContact CG2-CG1 4.11Å; V213-V244 HydrophobicContact CG2-CG2 4.07Å; T218-V244 HydrophobicContact CG2-CG1 4.03Å
245	L	89.4	Confident	94	Very high	40 Å²	40	50.7 Å²	50.7	21%	0.209	26%	0.263	C	S	.	.	S	Bend	trans	-84.4	144.2	173.2	-59.7	178.9	0	0	0	109.8	A210 A211 P242 E249	A210-L245 HydrophobicContact CB-CB 4.3Å; A210-L245 HydrophobicContact CB-CD1 4.5Å; A211-L245 HydrophobicContact CB-CD1 4.05Å; A211-L245 HydrophobicContact CB-CG 3.9Å; P242-L245 CarbonylContact C-O 3.58Å; P242-L245 VanDerWaalsContact C-O 3.24Å; P242-L245 VanDerWaalsContact CA-O 3.3Å; P242-L245 WeakPolarHBondContact CA-O 3.46Å; P242-L245 WeakPolarHBondContact CB-O 3.38Å; L245-E249 HydrophobicContact CB-CB 4.14Å
246	S	90.4	Very high	93.8	Very high	41 Å²	41	53.4 Å²	53.4	29%	0.287	28%	0.282	S	S	.	.			trans	-70.1	170.9	175.7	87.8	0	0	0	0	111.9	E248 E249 T250	S246-E248 VanDerWaalsContact C-N 3.25Å; S246-E248 VanDerWaalsContact CB-OE2 3.23Å; S246-E248 WeakPolarHBondContact CB-OE2 3.43Å; S246-E248 PolarHBondContact O-N 2.96Å; S246-E248 PolarHBondContact OG-N 3.5Å; S246-E248 PolarHBondContact OG-OE2 3.44Å; S246-E249 PolarHBondContact N-OE2 3.4Å; S246-E249 PolarHBondContact O-N 2.87Å; S246-E249 PolarHBondContact OG-N 3.03Å; S246-T250 PolarHBondContact O-N 2.79Å; S246-T250 PolarHBondContact O-OG1 2.98Å
247	K	91.6	Very high	93.7	Very high	73 Å²	73	54 Å²	54	32%	0.317	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-39	175.5	-165.9	177	-173	172.3	0	111	E249 T250 F260 D263	K247-E249 VanDerWaalsContact C-N 3.33Å; K247-E249 PolarHBondContact O-N 3.39Å; K247-T250 PolarHBondContact O-N 2.61Å; K247-F260 HydrophobicContact CB-CZ 4.45Å; K247-F260 HydrophobicContact CD-CD2 4Å; K247-F260 HydrophobicContact CD-CE2 4.26Å; K247-F260 HydrophobicContact CD-CG 4.25Å; K247-F260 HydrophobicContact CG-CD1 4.06Å; K247-F260 HydrophobicContact CG-CD2 3.65Å; K247-F260 HydrophobicContact CG-CE1 3.93Å; K247-F260 HydrophobicContact CG-CE2 3.48Å; K247-F260 VanDerWaalsContact CG-CE2 3.48Å; K247-F260 HydrophobicContact CG-CG 3.9Å; K247-F260 HydrophobicContact CG-CZ 3.62Å; K247-F260 WeakPolarHBondContact O-CZ 3.35Å; K247-D263 WeakPolarHBondContact CE-OD2 3.47Å; K247-D263 IonicContact NZ-OD1 3.39Å; K247-D263 PolarHBondContact NZ-OD1 3.15Å; K247-D263 IonicContact NZ-OD2 2.72Å; K247-D263 PolarHBondContact NZ-OD2 2.93Å
248	E	91.3	Very high	93.7	Very high	162 Å²	162	52.5 Å²	52.5	76%	0.757	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-29.5	-179.5	-56.6	71.2	-150.6	0	0	112.7	S246	S246-E248 VanDerWaalsContact C-N 3.25Å; S246-E248 VanDerWaalsContact CB-OE2 3.23Å; S246-E248 WeakPolarHBondContact CB-OE2 3.43Å; S246-E248 PolarHBondContact O-N 2.96Å; S246-E248 PolarHBondContact OG-N 3.5Å; S246-E248 PolarHBondContact OG-OE2 3.44Å
249	E	90.8	Very high	93.7	Very high	128 Å²	128	54.4 Å²	54.4	60%	0.598	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-10.5	178.5	-65.5	176	127.4	0	0	113	L245 S246 K247	L245-E249 HydrophobicContact CB-CB 4.14Å; S246-E249 PolarHBondContact N-OE2 3.4Å; S246-E249 PolarHBondContact O-N 2.87Å; S246-E249 PolarHBondContact OG-N 3.03Å; K247-E249 VanDerWaalsContact C-N 3.33Å; K247-E249 PolarHBondContact O-N 3.39Å
250	T	93.6	Very high	93.6	Very high	12 Å²	12	55.4 Å²	55.4	7%	0.074	30%	0.295	C	S	.	.			trans	-105.5	113.2	-171.7	-57.4	0	0	0	0	111.7	A210 M222 V240 S246 K247 L252 F260	A210-T250 HydrophobicContact CB-CG2 3.78Å; M222-T250 HydrophobicContact CE-CG2 3.81Å; M222-T250 HydrophobicContact SD-CG2 4.05Å; V240-T250 HydrophobicContact CG1-CG2 4.38Å; S246-T250 PolarHBondContact O-N 2.79Å; S246-T250 PolarHBondContact O-OG1 2.98Å; K247-T250 PolarHBondContact O-N 2.61Å; T250-L252 HydrophobicContact CG2-CD2 3.98Å; T250-L252 PolarHBondContact O-N 3.33Å; T250-F260 HydrophobicContact CG2-CE1 3.76Å; T250-F260 HydrophobicContact CG2-CZ 4.11Å; T250-F260 WeakPolarHBondContact O-CZ 3.25Å
251	D	93.6	Very high	93.6	Very high	73 Å²	73	55.6 Å²	55.6	39%	0.39	30%	0.296	S	S	.	.			trans	-89.1	105.2	177.4	175.9	20.1	0	0	0	112.1	M222 S253 K254	M222-D251 WeakPolarHBondContact CE-O 3.42Å; D251-S253 WeakPolarHBondContact OD1-CB 3.43Å; D251-S253 PolarHBondContact OD1-N 3.32Å; D251-S253 PolarHBondContact OD1-OG 3.01Å; D251-S253 PolarHBondContact OD2-OG 3.47Å; D251-K254 WeakPolarHBondContact OD2-CE 3.45Å; D251-K254 IonicContact OD2-NZ 2.79Å; D251-K254 PolarHBondContact OD2-NZ 2.8Å
252	L	96.1	Very high	93.5	Very high	22 Å²	22	60.2 Å²	60.2	12%	0.115	32%	0.321	C	S	.	.			trans	-84.3	-12.9	175.8	-65	-166.4	0	0	0	114.1	M222 V240 T250 K254 I255 S258 F260	M222-L252 HydrophobicContact CE-CD2 3.65Å; V240-L252 HydrophobicContact CB-CD2 3.83Å; V240-L252 HydrophobicContact CG1-CD2 4.07Å; V240-L252 HydrophobicContact CG2-CD2 3.69Å; T250-L252 HydrophobicContact CG2-CD2 3.98Å; T250-L252 PolarHBondContact O-N 3.33Å; L252-K254 PolarHBondContact O-N 3Å; L252-I255 PolarHBondContact O-N 3.28Å; L252-S258 WeakPolarHBondContact CB-OG 3.42Å; L252-S258 PolarHBondContact O-OG 3.2Å; L252-F260 HydrophobicContact CD1-CD1 4.02Å; L252-F260 HydrophobicContact CD1-CD2 3.53Å; L252-F260 HydrophobicContact CD1-CE1 3.99Å; L252-F260 HydrophobicContact CD1-CE2 3.51Å; L252-F260 HydrophobicContact CD1-CG 3.83Å; L252-F260 HydrophobicContact CD1-CZ 3.76Å; L252-F260 HydrophobicContact CD2-CE1 4.27Å; L252-F260 HydrophobicContact CD2-CZ 4.34Å; L252-F260 HydrophobicContact CG-CD2 4.34Å; L252-F260 HydrophobicContact CG-CE1 4.05Å; L252-F260 HydrophobicContact CG-CE2 3.83Å; L252-F260 HydrophobicContact CG-CZ 3.67Å
253	S	94.3	Very high	93.7	Very high	100 Å²	100	61.6 Å²	61.6	70%	0.699	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.2	-170.9	69.1	0	0	0	0	114.1	D251	D251-S253 WeakPolarHBondContact OD1-CB 3.43Å; D251-S253 PolarHBondContact OD1-N 3.32Å; D251-S253 PolarHBondContact OD1-OG 3.01Å; D251-S253 PolarHBondContact OD2-OG 3.47Å
254	K	92.6	Very high	94.2	Very high	118 Å²	118	60.6 Å²	60.6	51%	0.513	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-5.8	-178.2	-65.9	172.3	-172.3	146.6	0	113.9	R226 D251 L252	R226-K254 WeakPolarHBondContact CD-O 3.45Å; R226-K254 WeakPolarHBondContact CG-O 3.26Å; R226-K254 PolarHBondContact NE-O 3.16Å; R226-K254 VanDerWaalsContact NE-O 3.15Å; D251-K254 WeakPolarHBondContact OD2-CE 3.45Å; D251-K254 IonicContact OD2-NZ 2.79Å; D251-K254 PolarHBondContact OD2-NZ 2.8Å; L252-K254 PolarHBondContact O-N 3Å
255	I	96.1	Very high	94.4	Very high	6 Å²	6	59.4 Å²	59.4	3%	0.031	31%	0.314	C	S	.	.	S	Bend	trans	-113.6	111.4	-178.9	-54.5	-174.6	0	0	0	108.2	M222 L225 R226 V229 V238 L252 S258	M222-I255 HydrophobicContact CE-CD1 3.45Å; M222-I255 VanDerWaalsContact CE-CD1 3.45Å; M222-I255 HydrophobicContact CE-CG1 4.44Å; M222-I255 HydrophobicContact SD-CD1 4.33Å; L225-I255 HydrophobicContact CB-CD1 4.26Å; L225-I255 HydrophobicContact CD2-CD1 3.69Å; L225-I255 HydrophobicContact CG-CD1 3.92Å; R226-I255 HydrophobicContact CB-CD1 4.47Å; R226-I255 HydrophobicContact CB-CG1 4.07Å; R226-I255 HydrophobicContact CG-CG1 4.46Å; V229-I255 HydrophobicContact CB-CG2 4.36Å; V229-I255 HydrophobicContact CG1-CG2 4.28Å; V229-I255 HydrophobicContact CG2-CG2 4Å; V238-I255 HydrophobicContact CB-CG2 4.3Å; V238-I255 HydrophobicContact CG1-CG2 4.02Å; V238-I255 HydrophobicContact CG2-CG2 4.1Å; L252-I255 PolarHBondContact O-N 3.28Å; I255-S258 WeakPolarHBondContact O-CB 3.03Å; I255-S258 PolarHBondContact O-N 3.06Å; I255-S258 PolarHBondContact O-OG 3.23Å
256	P	94.1	Very high	94.5	Very high	71 Å²	71	60.3 Å²	60.3	46%	0.461	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	148.5	-176.9	28.6	-34.9	0	0	0	111	V229 S258	V229-P256 HydrophobicContact CG1-CG 3.68Å; P256-S258 PolarHBondContact O-N 3.2Å; P256-S258 VanDerWaalsContact O-N 3.12Å
257	N	95.2	Very high	94.3	Very high	106 Å²	106	60.3 Å²	60.3	57%	0.567	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	30.5	179.1	-54.7	-32	0	0	0	113.6	N236 K237 V238	N236-N257 WeakPolarHBondContact O-CB 3.48Å; K237-N257 WeakPolarHBondContact CD-O 3.36Å; V238-N257 PolarHBondContact N-O 3.07Å
258	S	97.7	Very high	93.9	Very high	28 Å²	28	58.2 Å²	58.2	20%	0.196	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	144.7	179.8	66.9	0	0	0	0	113.1	V238 L252 I255 P256	V238-S258 CarbonylContact O-C 3.42Å; V238-S258 WeakPolarHBondContact O-CA 3.27Å; L252-S258 WeakPolarHBondContact CB-OG 3.42Å; L252-S258 PolarHBondContact O-OG 3.2Å; I255-S258 WeakPolarHBondContact O-CB 3.03Å; I255-S258 PolarHBondContact O-N 3.06Å; I255-S258 PolarHBondContact O-OG 3.23Å; P256-S258 PolarHBondContact O-N 3.2Å; P256-S258 VanDerWaalsContact O-N 3.12Å
259	E	97.6	Very high	93	Very high	41 Å²	41	53 Å²	53	19%	0.192	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	164.9	170.3	66.6	-174.1	119.5	0	0	110.2	K237 V238 V240 F264	K237-E259 HydrophobicContact CD-CG 4.36Å; K237-E259 WeakPolarHBondContact CD-OE1 3.21Å; K237-E259 WeakPolarHBondContact CE-OE1 3.33Å; K237-E259 IonicContact NZ-OE1 2.76Å; K237-E259 PolarHBondContact NZ-OE1 2.87Å; V238-E259 PolarHBondContact O-N 3.19Å; V240-E259 PolarHBondContact N-O 2.96Å; E259-F264 HydrophobicContact CG-CB 4.01Å; E259-F264 WeakPolarHBondContact OE2-CA 3.44Å; E259-F264 PolarHBondContact OE2-N 3.4Å
260	F	98.1	Very high	91.7	Very high	22 Å²	22	49.4 Å²	49.4	10%	0.096	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	154.5	175.4	-68.8	-77	0	0	0	111.5	V240 K247 T250 L252 D262 D263 F264	V240-F260 WeakPolarHBondContact O-CA 3.33Å; K247-F260 HydrophobicContact CB-CZ 4.45Å; K247-F260 HydrophobicContact CD-CD2 4Å; K247-F260 HydrophobicContact CD-CE2 4.26Å; K247-F260 HydrophobicContact CD-CG 4.25Å; K247-F260 HydrophobicContact CG-CD1 4.06Å; K247-F260 HydrophobicContact CG-CD2 3.65Å; K247-F260 HydrophobicContact CG-CE1 3.93Å; K247-F260 HydrophobicContact CG-CE2 3.48Å; K247-F260 VanDerWaalsContact CG-CE2 3.48Å; K247-F260 HydrophobicContact CG-CG 3.9Å; K247-F260 HydrophobicContact CG-CZ 3.62Å; K247-F260 WeakPolarHBondContact O-CZ 3.35Å; T250-F260 HydrophobicContact CG2-CE1 3.76Å; T250-F260 HydrophobicContact CG2-CZ 4.11Å; T250-F260 WeakPolarHBondContact O-CZ 3.25Å; L252-F260 HydrophobicContact CD1-CD1 4.02Å; L252-F260 HydrophobicContact CD1-CD2 3.53Å; L252-F260 HydrophobicContact CD1-CE1 3.99Å; L252-F260 HydrophobicContact CD1-CE2 3.51Å; L252-F260 HydrophobicContact CD1-CG 3.83Å; L252-F260 HydrophobicContact CD1-CZ 3.76Å; L252-F260 HydrophobicContact CD2-CE1 4.27Å; L252-F260 HydrophobicContact CD2-CZ 4.34Å; L252-F260 HydrophobicContact CG-CD2 4.34Å; L252-F260 HydrophobicContact CG-CE1 4.05Å; L252-F260 HydrophobicContact CG-CE2 3.83Å; L252-F260 HydrophobicContact CG-CZ 3.67Å; F260-D262 VanDerWaalsContact C-N 3.33Å; F260-D262 PolarHBondContact O-N 2.8Å; F260-D263 PolarHBondContact O-N 3.32Å; F260-F264 PolarHBondContact O-N 3.49Å
261	L	97.4	Very high	90.3	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-53.4	-48.3	179.9	-179.5	64.7	0	0	0	112.6	F143 H167 F207 V239 V240 I241 D263 F264 L265	F143-L261 HydrophobicContact CE1-CD1 3.71Å; F143-L261 HydrophobicContact CE2-CD1 4.45Å; F143-L261 HydrophobicContact CZ-CD1 3.61Å; F143-L261 HydrophobicContact CZ-CD2 3.87Å; F143-L261 HydrophobicContact CZ-CG 4.3Å; H167-L261 VanDerWaalsContact CD2-CD2 3.46Å; H167-L261 WeakPolarHBondContact CD2-CD2 3.44Å; F207-L261 HydrophobicContact CD1-CD1 4.48Å; F207-L261 HydrophobicContact CE1-CD1 4.19Å; V239-L261 HydrophobicContact CG1-CB 4.07Å; V239-L261 HydrophobicContact CG1-CD1 3.73Å; V240-L261 PolarHBondContact O-N 2.8Å; I241-L261 HydrophobicContact CG1-CB 4.14Å; I241-L261 HydrophobicContact CG1-CD2 4.04Å; I241-L261 HydrophobicContact CG2-CD2 4.44Å; L261-D263 VanDerWaalsContact C-N 3.28Å; L261-D263 PolarHBondContact O-N 2.76Å; L261-F264 WeakPolarHBondContact O-CB 3.37Å; L261-F264 PolarHBondContact O-N 2.91Å; L261-F264 VanDerWaalsContact O-N 3.15Å; L261-L265 HydrophobicContact CD1-CD1 3.89Å; L261-L265 HydrophobicContact CD1-CD2 4.17Å; L261-L265 HydrophobicContact CD1-CG 3.82Å; L261-L265 HydrophobicContact CD2-CD1 4.26Å; L261-L265 HydrophobicContact CG-CD1 3.8Å; L261-L265 HydrophobicContact CG-CG 4.1Å; L261-L265 WeakPolarHBondContact O-CG 3.21Å; L261-L265 PolarHBondContact O-N 2.75Å
262	D	95	Very high	88.8	Confident	100 Å²	100	57.5 Å²	57.5	54%	0.535	35%	0.348	S	S	.	.	H	α-helix	trans	-61.4	-37.9	-177.6	-60.4	-18.3	0	0	0	112.1	F260 A266	F260-D262 VanDerWaalsContact C-N 3.33Å; F260-D262 PolarHBondContact O-N 2.8Å; D262-A266 WeakPolarHBondContact O-CB 3.27Å; D262-A266 PolarHBondContact O-N 3.31Å
263	D	95.4	Very high	87.4	Confident	70 Å²	70	64.4 Å²	64.4	37%	0.374	39%	0.385	S	S	.	.	H	α-helix	trans	-68.9	-41.6	177.8	-57.1	-38.2	0	0	0	110.5	K247 F260 L261 S267	K247-D263 WeakPolarHBondContact CE-OD2 3.47Å; K247-D263 IonicContact NZ-OD1 3.39Å; K247-D263 PolarHBondContact NZ-OD1 3.15Å; K247-D263 IonicContact NZ-OD2 2.72Å; K247-D263 PolarHBondContact NZ-OD2 2.93Å; F260-D263 PolarHBondContact O-N 3.32Å; L261-D263 VanDerWaalsContact C-N 3.28Å; L261-D263 PolarHBondContact O-N 2.76Å; D263-S267 PolarHBondContact O-N 3.2Å; D263-S267 VanDerWaalsContact O-N 3.17Å
264	F	96.7	Very high	86.3	Confident	3 Å²	3	67.5 Å²	67.5	1%	0.013	39%	0.389	C	S	.	.	H	α-helix	trans	-61.7	-45.7	175.8	178.5	-108	0	0	0	111.9	A146 M147 M150 L205 F207 V239 E259 F260 L261 S267	A146-F264 HydrophobicContact CB-CD1 3.91Å; A146-F264 HydrophobicContact CB-CE1 3.55Å; A146-F264 HydrophobicContact CB-CE2 4.48Å; A146-F264 HydrophobicContact CB-CZ 3.87Å; M147-F264 HydrophobicContact CG-CE1 4.5Å; M147-F264 HydrophobicContact CG-CZ 4.33Å; M150-F264 HydrophobicContact CB-CE2 4.14Å; M150-F264 HydrophobicContact CG-CE2 4.39Å; M150-F264 HydrophobicContact SD-CE2 4.21Å; L205-F264 HydrophobicContact CD2-CZ 4.21Å; F207-F264 HydrophobicContact CE1-CD1 4.31Å; F207-F264 HydrophobicContact CE1-CE1 4.14Å; F207-F264 AromaticContact CZ-CE1 3.95Å; F207-F264 HydrophobicContact CZ-CE1 3.95Å; V239-F264 HydrophobicContact CG1-CB 4.1Å; V239-F264 HydrophobicContact CG1-CD1 4.26Å; V239-F264 HydrophobicContact CG1-CG 4.29Å; V239-F264 HydrophobicContact CG2-CB 4.02Å; V239-F264 HydrophobicContact CG2-CD1 3.88Å; V239-F264 HydrophobicContact CG2-CD2 3.75Å; V239-F264 HydrophobicContact CG2-CE1 4.27Å; V239-F264 HydrophobicContact CG2-CE2 4.15Å; V239-F264 HydrophobicContact CG2-CG 3.6Å; V239-F264 HydrophobicContact CG2-CZ 4.4Å; E259-F264 HydrophobicContact CG-CB 4.01Å; E259-F264 WeakPolarHBondContact OE2-CA 3.44Å; E259-F264 PolarHBondContact OE2-N 3.4Å; F260-F264 PolarHBondContact O-N 3.49Å; L261-F264 WeakPolarHBondContact O-CB 3.37Å; L261-F264 PolarHBondContact O-N 2.91Å; L261-F264 VanDerWaalsContact O-N 3.15Å; F264-S267 VanDerWaalsContact O-CB 3.27Å; F264-S267 WeakPolarHBondContact O-CB 3.26Å; F264-S267 PolarHBondContact O-N 3.48Å; F264-S267 PolarHBondContact O-OG 2.96Å
265	L	95.1	Very high	85.7	Confident	27 Å²	27	67.9 Å²	67.9	14%	0.141	39%	0.391	C	S	.	.	H	α-helix	trans	-70.4	-42.4	179.5	-64.6	-178	0	0	0	111.7	V142 F143 A146 L261 S267 C268	V142-L265 HydrophobicContact CG1-CB 3.85Å; V142-L265 HydrophobicContact CG1-CD2 4.09Å; V142-L265 HydrophobicContact CG1-CG 4.36Å; F143-L265 HydrophobicContact CB-CD2 4.32Å; F143-L265 HydrophobicContact CD1-CD2 4.12Å; F143-L265 HydrophobicContact CD2-CD1 4.07Å; F143-L265 HydrophobicContact CD2-CD2 3.64Å; F143-L265 HydrophobicContact CE1-CD2 4.4Å; F143-L265 HydrophobicContact CE2-CD1 3.69Å; F143-L265 HydrophobicContact CE2-CD2 3.97Å; F143-L265 HydrophobicContact CE2-CG 4.45Å; F143-L265 HydrophobicContact CG-CD2 3.74Å; F143-L265 HydrophobicContact CZ-CD1 4.2Å; F143-L265 HydrophobicContact CZ-CD2 4.35Å; A146-L265 HydrophobicContact CB-CD2 4.18Å; L261-L265 HydrophobicContact CD1-CD1 3.89Å; L261-L265 HydrophobicContact CD1-CD2 4.17Å; L261-L265 HydrophobicContact CD1-CG 3.82Å; L261-L265 HydrophobicContact CD2-CD1 4.26Å; L261-L265 HydrophobicContact CG-CD1 3.8Å; L261-L265 HydrophobicContact CG-CG 4.1Å; L261-L265 WeakPolarHBondContact O-CG 3.21Å; L261-L265 PolarHBondContact O-N 2.75Å; L265-S267 PolarHBondContact O-N 2.83Å; L265-S267 VanDerWaalsContact O-N 3.11Å; L265-C268 PolarHBondContact O-N 3.23Å; L265-C268 VanDerWaalsContact O-N 3.13Å; L265-C268 PolarHBondContact O-SG 3.2Å
266	A	91.9	Very high	85.4	Confident	59 Å²	59	69.3 Å²	69.3	49%	0.488	40%	0.4	S	S	.	.	H	α-helix	trans	-59.1	-24.8	176	0	0	0	0	0	112.3	D262 C268 C269	D262-A266 WeakPolarHBondContact O-CB 3.27Å; D262-A266 PolarHBondContact O-N 3.31Å; A266-C268 PolarHBondContact O-N 3.39Å; A266-C268 VanDerWaalsContact O-N 3.12Å; A266-C269 PolarHBondContact O-N 3.18Å; A266-C269 VanDerWaalsContact O-N 3.17Å; A266-C269 VanDerWaalsContact O-O 3.07Å
267	S	86.3	Confident	85.1	Confident	41 Å²	41	74.1 Å²	74.1	29%	0.287	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.8	176.3	81.3	0	0	0	0	113.1	K149 D263 F264 L265	K149-S267 WeakPolarHBondContact CD-O 3.48Å; K149-S267 VanDerWaalsContact CE-O 3.28Å; K149-S267 WeakPolarHBondContact CE-O 3.2Å; K149-S267 PolarHBondContact NZ-O 2.94Å; D263-S267 PolarHBondContact O-N 3.2Å; D263-S267 VanDerWaalsContact O-N 3.17Å; F264-S267 VanDerWaalsContact O-CB 3.27Å; F264-S267 WeakPolarHBondContact O-CB 3.26Å; F264-S267 PolarHBondContact O-N 3.48Å; F264-S267 PolarHBondContact O-OG 2.96Å; L265-S267 PolarHBondContact O-N 2.83Å; L265-S267 VanDerWaalsContact O-N 3.11Å
268	C	82.3	Confident	85.1	Confident	30 Å²	30	69.8 Å²	69.8	20%	0.203	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-15.3	-178.7	73.8	0	0	0	0	114.3	V142 A145 A146 L265 A266	V142-C268 PolarHBondContact O-SG 3.07Å; V142-C268 VanDerWaalsContact O-SG 3.4Å; A145-C268 HydrophobicContact CB-CB 3.78Å; A146-C268 HydrophobicContact CB-CB 4.37Å; L265-C268 PolarHBondContact O-N 3.23Å; L265-C268 VanDerWaalsContact O-N 3.13Å; L265-C268 PolarHBondContact O-SG 3.2Å; A266-C268 PolarHBondContact O-N 3.39Å; A266-C268 VanDerWaalsContact O-N 3.12Å
269	C	72.4	Confident	85	Confident	51 Å²	51	74.4 Å²	74.4	35%	0.345	41%	0.412	S	S	.	.			trans	-89.5	104	175.9	-57.5	0	0	0	0	107.9	A266	A266-C269 PolarHBondContact O-N 3.18Å; A266-C269 VanDerWaalsContact O-N 3.17Å; A266-C269 VanDerWaalsContact O-O 3.07Å
270	G	64.5	Low	85.1	Confident	54 Å²	54	73.8 Å²	73.8	56%	0.557	41%	0.408	S	S	*	.			trans	-66.9	-164.8	170	0	0	0	0	0	112	S272	G270-S272 PolarHBondContact O-N 3.17Å
271	D	63.8	Low	85.1	Confident	182 Å²	182	75.5 Å²	75.5	97%	0.973	42%	0.417	S	S	*	.	S	Bend	trans	-67.4	5	175.7	-63.3	-35.4	0	0	0	114.2
272	S	63.3	Low	85.2	Confident	72 Å²	72	77.9 Å²	77.9	50%	0.503	43%	0.428	S	S	.	.	S	Bend	trans	-94.1	131.7	-179.3	62.8	0	0	0	0	111.7	G270 Q274	G270-S272 PolarHBondContact O-N 3.17Å; S272-Q274 PolarHBondContact O-N 3.45Å
273	D	65.3	Low	85.3	Confident	168 Å²	168	74.4 Å²	74.4	90%	0.898	41%	0.409	S	S	*	.	S	Bend	trans	-66.5	12.2	172.3	-67.5	-35.4	0	0	0	114.5
274	Q	72.3	Confident	85.5	Confident	165 Å²	165	72.7 Å²	72.7	77%	0.771	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-97.9	122.6	179.6	-68.4	-171	-2.6	0	0	111	S272	S272-Q274 PolarHBondContact O-N 3.45Å
275	F	80.3	Confident	85.6	Confident	126 Å²	126	72.8 Å²	72.8	55%	0.553	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-65.1	143.6	171.7	-66.6	-81	0	0	0	110.9	R138 V142	R138-F275 HydrophobicContact CG-CB 4.09Å; R138-F275 HydrophobicContact CG-CD1 3.65Å; R138-F275 HydrophobicContact CG-CD2 4.1Å; R138-F275 HydrophobicContact CG-CE1 4.08Å; R138-F275 HydrophobicContact CG-CE2 4.49Å; R138-F275 HydrophobicContact CG-CG 3.66Å; R138-F275 HydrophobicContact CG-CZ 4.49Å; V142-F275 HydrophobicContact CG2-CD1 3.92Å
276	P	88.1	Confident	85.7	Confident	36 Å²	36	74.6 Å²	74.6	23%	0.234	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-61.8	145.3	177.1	26	-33.5	0	0	0	111	A141 V142 A145	A141-P276 HydrophobicContact CB-CG 4.38Å; A141-P276 VanDerWaalsContact CB-O 3.28Å; A141-P276 WeakPolarHBondContact CB-O 3.33Å; V142-P276 HydrophobicContact CG2-CG 4.18Å; A145-P276 HydrophobicContact CB-CB 3.86Å; A145-P276 HydrophobicContact CB-CG 3.81Å
277	Q	89.6	Confident	86	Confident	171 Å²	171	73 Å²	73	80%	0.799	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-72.4	129.8	172.7	-177.1	174.5	-12.6	0	0	109.9	E279	Q277-E279 PolarHBondContact O-N 3Å
278	L	94.7	Very high	86.6	Confident	15 Å²	15	72.5 Å²	72.5	8%	0.079	39%	0.39	C	S	.	.			trans	-76.3	112.9	174	-178	56.6	0	0	0	110.5	L108 R137 V140 A141 A144 F280	L108-L278 HydrophobicContact CD1-CD2 3.79Å; R137-L278 HydrophobicContact CG-CD2 3.95Å; V140-L278 HydrophobicContact CB-CD2 4.39Å; V140-L278 HydrophobicContact CG1-CD1 4.11Å; V140-L278 HydrophobicContact CG1-CD2 3.88Å; A141-L278 HydrophobicContact CB-CB 3.7Å; A144-L278 HydrophobicContact CB-CD1 3.99Å; L278-F280 HydrophobicContact CD1-CE1 4.31Å; L278-F280 HydrophobicContact CD2-CE1 3.59Å; L278-F280 HydrophobicContact CD2-CE2 4.25Å; L278-F280 HydrophobicContact CD2-CZ 3.35Å; L278-F280 HydrophobicContact CG-CD1 4.44Å; L278-F280 HydrophobicContact CG-CE1 3.81Å; L278-F280 HydrophobicContact CG-CE2 4.18Å; L278-F280 HydrophobicContact CG-CZ 3.66Å
279	E	95.7	Very high	87.4	Confident	125 Å²	125	71.3 Å²	71.3	58%	0.584	38%	0.382	S	S	*	.			trans	-102.2	137.1	171.8	-64.5	-178.4	174	0	0	110.6	Q277	Q277-E279 PolarHBondContact O-N 3Å
280	F	98.5	Very high	88.6	Confident	28 Å²	28	69 Å²	69	12%	0.123	37%	0.366	C	S	.	.			trans	-109.2	123.4	-179.7	-59.8	-75.8	0	0	0	110.8	N102 A104 E105 L108 L278 Q282	N102-F280 HydrophobicContact CB-CB 3.82Å; N102-F280 HydrophobicContact CB-CG 4.47Å; A104-F280 HydrophobicContact CB-CD1 4.31Å; A104-F280 HydrophobicContact CB-CE1 4.05Å; E105-F280 HydrophobicContact CB-CB 4.22Å; E105-F280 HydrophobicContact CB-CD1 3.79Å; E105-F280 HydrophobicContact CB-CD2 3.8Å; E105-F280 HydrophobicContact CB-CE1 4.03Å; E105-F280 HydrophobicContact CB-CE2 4.01Å; E105-F280 HydrophobicContact CB-CG 3.68Å; E105-F280 HydrophobicContact CB-CZ 4.13Å; E105-F280 HydrophobicContact CG-CD2 3.81Å; E105-F280 HydrophobicContact CG-CE2 3.95Å; E105-F280 HydrophobicContact CG-CG 4.19Å; E105-F280 HydrophobicContact CG-CZ 4.47Å; L108-F280 HydrophobicContact CB-CZ 4.44Å; L108-F280 HydrophobicContact CD1-CE1 4.25Å; L108-F280 HydrophobicContact CD1-CZ 4.31Å; L278-F280 HydrophobicContact CD1-CE1 4.31Å; L278-F280 HydrophobicContact CD2-CE1 3.59Å; L278-F280 HydrophobicContact CD2-CE2 4.25Å; L278-F280 HydrophobicContact CD2-CZ 3.35Å; L278-F280 HydrophobicContact CG-CD1 4.44Å; L278-F280 HydrophobicContact CG-CE1 3.81Å; L278-F280 HydrophobicContact CG-CE2 4.18Å; L278-F280 HydrophobicContact CG-CZ 3.66Å; F280-Q282 PolarHBondContact O-N 3.26Å
281	E	98.6	Very high	90.2	Very high	59 Å²	59	66.4 Å²	66.4	28%	0.276	34%	0.339	S	S	.	.			trans	-66.2	121.6	172	-65.1	-62.7	165.4	0	0	109.9	N102 R148 S177 I178 L283	N102-E281 WeakPolarHBondContact CB-O 3.25Å; N102-E281 PolarHBondContact ND2-O 3.07Å; R148-E281 IonicContact CZ-OE1 3.45Å; R148-E281 VanDerWaalsContact CZ-OE1 3.27Å; R148-E281 IonicContact NH1-OE1 3.14Å; R148-E281 PolarHBondContact NH1-OE1 3.22Å; R148-E281 IonicContact NH2-OE1 3.57Å; R148-E281 PolarHBondContact NH2-OE1 3.09Å; S177-E281 PolarHBondContact O-N 3.47Å; I178-E281 WeakPolarHBondContact O-CG 3.22Å; E281-L283 HydrophobicContact CB-CD1 3.83Å; E281-L283 HydrophobicContact CB-CD2 4.38Å; E281-L283 HydrophobicContact CB-CG 3.92Å; E281-L283 PolarHBondContact O-N 2.88Å
282	Q	98.6	Very high	91.7	Very high	54 Å²	54	58.5 Å²	58.5	25%	0.252	30%	0.297	S	S	.	.			trans	-90.3	97.3	-178.5	-66.6	-61.1	-47.1	0	0	109.7	S76 R100 E105 F280	S76-Q282 WeakPolarHBondContact OG-CB 3.44Å; S76-Q282 VanDerWaalsContact OG-CD 3.29Å; S76-Q282 VanDerWaalsContact OG-CG 3.29Å; S76-Q282 WeakPolarHBondContact OG-CG 3.13Å; S76-Q282 PolarHBondContact OG-OE1 3.28Å; R100-Q282 HydrophobicContact CB-CB 4.23Å; R100-Q282 PolarHBondContact O-OE1 2.83Å; E105-Q282 PolarHBondContact OE2-NE2 3Å; F280-Q282 PolarHBondContact O-N 3.26Å
283	L	98.7	Very high	93	Very high	27 Å²	27	56.3 Å²	56.3	14%	0.141	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	160	-165.7	-63.6	168.7	0	0	0	111.7	R100 L101 T154 G179 E281 H287	R100-L283 WeakPolarHBondContact CA-O 3.17Å; L101-L283 PolarHBondContact N-O 3.45Å; L101-L283 PolarHBondContact O-N 3.45Å; T154-L283 HydrophobicContact CG2-CD1 3.94Å; T154-L283 HydrophobicContact CG2-CD2 3.93Å; G179-L283 VanDerWaalsContact CA-CD1 3.46Å; E281-L283 HydrophobicContact CB-CD1 3.83Å; E281-L283 HydrophobicContact CB-CD2 4.38Å; E281-L283 HydrophobicContact CB-CG 3.92Å; E281-L283 PolarHBondContact O-N 2.88Å; L283-H287 HydrophobicContact CB-CB 3.82Å
284	P	98.6	Very high	93.6	Very high	34 Å²	34	48.4 Å²	48.4	22%	0.221	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	152.1	175.1	-24.8	33.6	0	0	0	112.8	N286 H287	P284-N286 VanDerWaalsContact CB-OD1 3.28Å; P284-N286 WeakPolarHBondContact CB-OD1 3Å; P284-N286 PolarHBondContact O-N 3.41Å; P284-N286 VanDerWaalsContact O-N 3.17Å; P284-H287 WeakPolarHBondContact O-CB 3.3Å; P284-H287 PolarHBondContact O-N 3.32Å
285	F	98.5	Very high	93.3	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.022	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-39.3	178.3	-176.9	-87.1	0	0	0	112.9	W68 W95 F96 L101 H287 G309 G310 I313 P496	W68-F285 HydrophobicContact CE3-CE2 4.36Å; W68-F285 AromaticContact CZ3-CD2 3.81Å; W68-F285 HydrophobicContact CZ3-CD2 3.81Å; W68-F285 AromaticContact CZ3-CE2 3.81Å; W68-F285 HydrophobicContact CZ3-CE2 3.81Å; W95-F285 HydrophobicContact CB-CD1 3.7Å; W95-F285 HydrophobicContact CB-CE1 3.49Å; W95-F285 VanDerWaalsContact CB-CE1 3.49Å; W95-F285 HydrophobicContact CB-CZ 4.3Å; W95-F285 HydrophobicContact CG-CE1 4.43Å; W95-F285 WeakPolarHBondContact O-CB 3.47Å; W95-F285 VanDerWaalsContact O-CD1 3.25Å; W95-F285 WeakPolarHBondContact O-CD1 3.34Å; W95-F285 WeakPolarHBondContact O-CG 3.33Å; F96-F285 HydrophobicContact CB-CB 4.14Å; F96-F285 HydrophobicContact CB-CD1 4.49Å; F96-F285 HydrophobicContact CB-CD2 3.61Å; F96-F285 HydrophobicContact CB-CE2 4.11Å; F96-F285 HydrophobicContact CB-CG 3.83Å; F96-F285 HydrophobicContact CD2-CD1 4.27Å; F96-F285 AromaticContact CD2-CD2 3.66Å; F96-F285 HydrophobicContact CD2-CD2 3.66Å; F96-F285 AromaticContact CD2-CE1 3.9Å; F96-F285 HydrophobicContact CD2-CE1 3.9Å; F96-F285 AromaticContact CD2-CE2 3.22Å; F96-F285 HydrophobicContact CD2-CE2 3.22Å; F96-F285 HydrophobicContact CD2-CG 4.17Å; F96-F285 AromaticContact CD2-CZ 3.35Å; F96-F285 HydrophobicContact CD2-CZ 3.35Å; F96-F285 AromaticContact CE2-CE2 3.82Å; F96-F285 HydrophobicContact CE2-CE2 3.82Å; F96-F285 AromaticContact CE2-CZ 3.78Å; F96-F285 HydrophobicContact CE2-CZ 3.78Å; F96-F285 AromaticContact CG-CD2 3.92Å; F96-F285 HydrophobicContact CG-CD2 3.92Å; F96-F285 AromaticContact CG-CE2 3.89Å; F96-F285 HydrophobicContact CG-CE2 3.89Å; F96-F285 HydrophobicContact CG-CG 4.45Å; F96-F285 HydrophobicContact CG-CZ 4.39Å; L101-F285 HydrophobicContact CD2-CD2 3.8Å; L101-F285 HydrophobicContact CD2-CE2 4.48Å; F285-H287 VanDerWaalsContact C-N 3.3Å; F285-H287 PolarHBondContact O-N 3.09Å; F285-G309 WeakPolarHBondContact CE2-O 3.39Å; F285-G309 VanDerWaalsContact CZ-O 3.26Å; F285-G309 WeakPolarHBondContact CZ-O 3.05Å; F285-G309 WeakPolarHBondContact O-CA 3.39Å; F285-G309 PolarHBondContact O-N 3.18Å; F285-G310 VanDerWaalsContact CE1-N 3.27Å; F285-G310 VanDerWaalsContact CZ-N 3.27Å; F285-I313 HydrophobicContact CE2-CG2 4.48Å; F285-I313 HydrophobicContact CZ-CG2 3.97Å; F285-P496 HydrophobicContact CE1-CB 4.34Å; F285-P496 HydrophobicContact CZ-CB 4.23Å
286	N	97.3	Very high	92.2	Very high	64 Å²	64	34.9 Å²	34.9	34%	0.342	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	5.6	-179.6	65.5	-16.5	0	0	0	114.4	P284 T500	P284-N286 VanDerWaalsContact CB-OD1 3.28Å; P284-N286 WeakPolarHBondContact CB-OD1 3Å; P284-N286 PolarHBondContact O-N 3.41Å; P284-N286 VanDerWaalsContact O-N 3.17Å; N286-T500 HydrophobicContact CB-CG2 4.47Å
287	H	98.6	Very high	90.5	Very high	27 Å²	27	35.4 Å²	35.4	13%	0.125	18%	0.178	C	C	.	.			trans	-55.4	129.3	177.6	-179.5	71.3	0	0	0	111	G179 L283 P284 F285 L289 S307 A308	G179-H287 PolarHBondContact O-CE1 3.48Å; G179-H287 PolarHBondContact O-NE2 2.54Å; L283-H287 HydrophobicContact CB-CB 3.82Å; P284-H287 WeakPolarHBondContact O-CB 3.3Å; P284-H287 PolarHBondContact O-N 3.32Å; F285-H287 VanDerWaalsContact C-N 3.3Å; F285-H287 PolarHBondContact O-N 3.09Å; H287-L289 PolarHBondContact O-N 3.43Å; H287-S307 CarbonylContact O-C 3.59Å; H287-S307 VanDerWaalsContact O-CA 3.29Å; H287-S307 WeakPolarHBondContact O-CA 3.46Å; H287-A308 PolarHBondContact O-N 3.24Å
288	P	98.6	Very high	88.8	Confident	30 Å²	30	31.8 Å²	31.8	20%	0.195	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	124.6	177.6	-29.9	38.2	0	0	0	113.2	I181 V305	I181-P288 HydrophobicContact CD1-CB 3.6Å; I181-P288 HydrophobicContact CD1-CG 4.28Å; I181-P288 HydrophobicContact CG1-CB 3.91Å; I181-P288 HydrophobicContact CG2-CB 4.16Å; P288-V305 HydrophobicContact CB-CG1 3.62Å; P288-V305 HydrophobicContact CG-CG1 3.96Å
289	L	98.8	Very high	87.4	Confident	4 Å²	4	33.1 Å²	33.1	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-55.5	176.6	174.2	67.4	0	0	0	111.3	F103 A176 W182 H287 H306 A308 T311	F103-L289 HydrophobicContact CB-CD1 3.9Å; F103-L289 HydrophobicContact CB-CD2 4.1Å; F103-L289 HydrophobicContact CD1-CD1 3.87Å; F103-L289 HydrophobicContact CD1-CD2 3.87Å; F103-L289 HydrophobicContact CD2-CD2 3.43Å; F103-L289 VanDerWaalsContact CD2-CD2 3.43Å; F103-L289 HydrophobicContact CE1-CD2 4.1Å; F103-L289 HydrophobicContact CE2-CD2 3.72Å; F103-L289 HydrophobicContact CG-CD1 3.9Å; F103-L289 HydrophobicContact CG-CD2 3.52Å; F103-L289 HydrophobicContact CG-CG 4.38Å; F103-L289 HydrophobicContact CZ-CD2 4.04Å; A176-L289 HydrophobicContact CB-CD1 3.6Å; W182-L289 PolarHBondContact N-O 3.28Å; H287-L289 PolarHBondContact O-N 3.43Å; L289-H306 PolarHBondContact N-O 3.31Å; L289-A308 HydrophobicContact CB-CB 4.04Å; L289-T311 HydrophobicContact CD2-CG2 4.16Å
290	F	98.6	Very high	86.3	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.009	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.1	-176.3	-64.5	-50.7	0	0	0	111.3	F103 M172 W182 M292 V305 H306 T311 N343	F103-F290 HydrophobicContact CE1-CZ 4.27Å; F103-F290 HydrophobicContact CZ-CE2 4.41Å; F103-F290 HydrophobicContact CZ-CZ 4.41Å; M172-F290 HydrophobicContact CG-CE1 3.71Å; M172-F290 HydrophobicContact CG-CZ 4.23Å; M172-F290 HydrophobicContact SD-CE1 3.86Å; M172-F290 HydrophobicContact SD-CZ 3.82Å; W182-F290 HydrophobicContact CB-CD1 3.94Å; W182-F290 HydrophobicContact CB-CE1 4.04Å; W182-F290 AromaticContact CD1-CD1 3.83Å; W182-F290 AromaticContact CD1-CE1 3.74Å; W182-F290 HydrophobicContact CG-CD1 4.29Å; W182-F290 HydrophobicContact CG-CE1 4.2Å; W182-F290 VanDerWaalsContact O-CA 3.32Å; W182-F290 WeakPolarHBondContact O-CA 3.28Å; F290-M292 HydrophobicContact CB-CG 4.16Å; F290-V305 WeakPolarHBondContact O-CA 3.44Å; F290-H306 HydrophobicContact CB-CB 4.4Å; F290-H306 PolarHBondContact N-O 3.31Å; F290-H306 PolarHBondContact O-N 2.65Å; F290-T311 HydrophobicContact CD2-CG2 4.17Å; F290-T311 HydrophobicContact CE2-CG2 3.99Å; F290-N343 WeakPolarHBondContact CE1-ND2 3.45Å; F290-N343 HydrophobicContact CE2-CB 4.07Å; F290-N343 HydrophobicContact CZ-CB 4.43Å; F290-N343 WeakPolarHBondContact CZ-ND2 3.42Å
291	I	98.4	Very high	85.6	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	114.3	157.8	-50.3	176.2	0	0	0	108.1	R157 I181 W182 S183 I201 Y293 C303 M304 V305 W503	R157-I291 HydrophobicContact CG-CD1 3.87Å; I181-I291 HydrophobicContact CG2-CD1 4.06Å; I181-I291 HydrophobicContact CG2-CG1 3.65Å; W182-I291 PolarHBondContact O-N 2.75Å; S183-I291 VanDerWaalsContact CB-O 3.32Å; S183-I291 WeakPolarHBondContact CB-O 3.46Å; S183-I291 PolarHBondContact OG-O 2.64Å; I201-I291 HydrophobicContact CB-CD1 4.03Å; I201-I291 HydrophobicContact CD1-CD1 4.2Å; I201-I291 HydrophobicContact CG2-CD1 3.73Å; I201-I291 HydrophobicContact CG2-CG2 4.03Å; I291-Y293 HydrophobicContact CG2-CE1 4.31Å; I291-C303 HydrophobicContact CG2-CB 3.92Å; I291-M304 WeakPolarHBondContact CA-O 3.31Å; I291-V305 HydrophobicContact CG1-CG2 4.37Å; I291-W503 HydrophobicContact CD1-CD2 3.79Å; I291-W503 HydrophobicContact CD1-CE3 3.44Å; I291-W503 VanDerWaalsContact CD1-CE3 3.44Å; I291-W503 HydrophobicContact CD1-CG 4.39Å; I291-W503 HydrophobicContact CD1-CH2 4.43Å; I291-W503 HydrophobicContact CD1-CZ3 3.79Å; I291-W503 HydrophobicContact CG1-CE3 4.26Å
292	M	95.8	Very high	85	Confident	16 Å²	16	28.2 Å²	28.2	8%	0.079	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	160	177	-59.6	-150.9	-51.8	0	0	111	F290 M304 M340 T443 V446	F290-M292 HydrophobicContact CB-CG 4.16Å; M292-M304 PolarHBondContact N-O 3.16Å; M292-M304 PolarHBondContact O-N 3.34Å; M292-M340 HydrophobicContact CE-CB 3.43Å; M292-M340 VanDerWaalsContact CE-CB 3.43Å; M292-M340 HydrophobicContact SD-CB 4.03Å; M292-T443 HydrophobicContact CB-CG2 3.56Å; M292-T443 HydrophobicContact CE-CG2 3.63Å; M292-V446 HydrophobicContact CE-CB 4.04Å; M292-V446 HydrophobicContact CE-CG1 3.84Å; M292-V446 HydrophobicContact CE-CG2 3.4Å
293	Y	89.6	Confident	84.7	Confident	25 Å²	25	25.8 Å²	25.8	10%	0.098	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.8	-169.4	-49.8	-88.5	0	0	0	110.5	S183 R197 F198 I201 I291 P301 K302 C303	S183-Y293 WeakPolarHBondContact OG-CE2 3.49Å; S183-Y293 VanDerWaalsContact OG-CZ 3.31Å; S183-Y293 PolarHBondContact OG-OH 2.77Å; R197-Y293 HydrophobicContact CB-CD1 3.83Å; R197-Y293 HydrophobicContact CB-CD2 4Å; R197-Y293 HydrophobicContact CB-CE1 3.58Å; R197-Y293 HydrophobicContact CB-CE2 3.78Å; R197-Y293 HydrophobicContact CB-CG 4.04Å; R197-Y293 HydrophobicContact CG-CD1 3.67Å; R197-Y293 HydrophobicContact CG-CD2 3.82Å; R197-Y293 HydrophobicContact CG-CE1 3.99Å; R197-Y293 HydrophobicContact CG-CE2 4.14Å; R197-Y293 HydrophobicContact CG-CG 3.58Å; F198-Y293 HydrophobicContact CE1-CE2 4.5Å; I201-Y293 VanDerWaalsContact CD1-OH 3.29Å; I201-Y293 WeakPolarHBondContact CD1-OH 3.11Å; I291-Y293 HydrophobicContact CG2-CE1 4.31Å; Y293-P301 HydrophobicContact CD1-CB 4.49Å; Y293-K302 VanDerWaalsContact CA-O 3.3Å; Y293-K302 WeakPolarHBondContact CA-O 3.42Å; Y293-C303 HydrophobicContact CD1-CB 4.44Å; Y293-C303 HydrophobicContact CE1-CB 4.36Å; Y293-C303 WeakPolarHBondContact CE1-SG 3.28Å
294	S	78.6	Confident	84.5	Confident	2 Å²	2	24.5 Å²	24.5	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	143.1	163.8	60.9	0	0	0	0	109.4	K302 M304	S294-K302 PolarHBondContact N-O 3.35Å; S294-K302 VanDerWaalsContact N-O 3.14Å; S294-K302 PolarHBondContact O-N 3.01Å; S294-M304 VanDerWaalsContact CB-CE 3.47Å; S294-M304 WeakPolarHBondContact OG-CE 3.3Å; S294-M304 PolarHBondContact OG-SD 3.41Å
295	S	65.3	Low	84.5	Confident	4 Å²	4	22.9 Å²	22.9	3%	0.028	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-74.6	131.4	176.2	-57.3	0	0	0	0	110.6	F555 G556 E559	S295-F555 VanDerWaalsContact CB-C 3.49Å; S295-F555 WeakPolarHBondContact OG-CA 3.46Å; S295-G556 PolarHBondContact OG-N 3.02Å; S295-E559 WeakPolarHBondContact CB-OE1 3.39Å; S295-E559 PolarHBondContact OG-OE1 2.88Å
296	G	57	Low	84.5	Confident	3 Å²	3	22.7 Å²	22.7	3%	0.031	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-84.1	158.9	170.3	0	0	0	0	0	111.3	G556 S558	G296-G556 WeakPolarHBondContact O-CA 3.5Å; G296-S558 PolarHBondContact O-OG 3.14Å
297	T	51.8	Low	84.6	Confident	47 Å²	47	19.9 Å²	19.9	29%	0.288	13%	0.127	S	C	.	.	S	Bend	trans	-76.5	-17.2	163.9	50.7	0	0	0	0	111.9	G546 T547	T297-G546 VanDerWaalsContact CG2-C 3.46Å; T297-T547 HydrophobicContact CG2-CG2 3.77Å
298	T	55.1	Low	84.6	Confident	95 Å²	95	19 Å²	19	58%	0.583	12%	0.124	S	C	*	.	S	Bend	trans	-138.9	126.9	-179.9	61.5	0	0	0	0	110.4
299	G	65.1	Low	84.6	Confident	43 Å²	43	17.6 Å²	17.6	44%	0.443	12%	0.116	S	C	.	.	S	Bend	trans	82.7	-166.8	174.4	0	0	0	0	0	115	S558	G299-S558 PolarHBondContact O-OG 2.83Å
300	A	72.7	Confident	84.6	Confident	53 Å²	53	17.4 Å²	17.4	44%	0.438	12%	0.115	S	C	.	.	S	Bend	trans	-65.6	158.2	179.2	0	0	0	0	0	112.3
301	P	82.5	Confident	84.6	Confident	3 Å²	3	17.4 Å²	17.4	2%	0.019	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-53.6	139.3	176.8	-25.4	34.4	0	0	0	112.6	D196 R197 Q200 Y293 C303	D196-P301 HydrophobicContact CB-CG 4.27Å; R197-P301 HydrophobicContact CG-CB 4.43Å; R197-P301 HydrophobicContact CG-CG 4.29Å; Q200-P301 PolarHBondContact NE2-O 2.89Å; Y293-P301 HydrophobicContact CD1-CB 4.49Å; P301-C303 PolarHBondContact O-N 2.9Å
302	K	87.2	Confident	84.6	Confident	54 Å²	54	17.4 Å²	17.4	24%	0.235	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	121.8	177.9	-61.5	165.7	178.5	176	0	109.2	Y293 S294 M304 F502	Y293-K302 VanDerWaalsContact CA-O 3.3Å; Y293-K302 WeakPolarHBondContact CA-O 3.42Å; S294-K302 PolarHBondContact N-O 3.35Å; S294-K302 VanDerWaalsContact N-O 3.14Å; S294-K302 PolarHBondContact O-N 3.01Å; K302-M304 PolarHBondContact O-N 3.11Å; K302-F502 HydrophobicContact CB-CD2 4.28Å; K302-F502 HydrophobicContact CB-CE2 3.88Å; K302-F502 HydrophobicContact CB-CZ 4.15Å; K302-F502 HydrophobicContact CD-CE2 3.76Å; K302-F502 HydrophobicContact CD-CZ 3.99Å; K302-F502 HydrophobicContact CG-CD2 4.5Å; K302-F502 HydrophobicContact CG-CE2 3.89Å; K302-F502 HydrophobicContact CG-CZ 4.42Å
303	C	92.4	Very high	84.7	Confident	3 Å²	3	16.7 Å²	16.7	2%	0.02	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	98.1	-179.9	-63.1	0	0	0	0	110.5	Q200 I291 Y293 P301 F502 W503	Q200-C303 PolarHBondContact NE2-SG 2.86Å; Q200-C303 PolarHBondContact OE1-SG 3.3Å; I291-C303 HydrophobicContact CG2-CB 3.92Å; Y293-C303 HydrophobicContact CD1-CB 4.44Å; Y293-C303 HydrophobicContact CE1-CB 4.36Å; Y293-C303 WeakPolarHBondContact CE1-SG 3.28Å; P301-C303 PolarHBondContact O-N 2.9Å; C303-F502 CarbonylContact O-C 3.46Å; C303-F502 WeakPolarHBondContact O-CA 3.47Å; C303-W503 HydrophobicContact CB-CB 3.55Å; C303-W503 PolarHBondContact O-N 2.81Å
304	M	94.6	Very high	85.2	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.8	-173.9	-55	-179.4	-64.2	0	0	110.4	I291 M292 S294 K302 T443 D444 P499 F502 Y515	I291-M304 WeakPolarHBondContact CA-O 3.31Å; M292-M304 PolarHBondContact N-O 3.16Å; M292-M304 PolarHBondContact O-N 3.34Å; S294-M304 VanDerWaalsContact CB-CE 3.47Å; S294-M304 WeakPolarHBondContact OG-CE 3.3Å; S294-M304 PolarHBondContact OG-SD 3.41Å; K302-M304 PolarHBondContact O-N 3.11Å; M304-T443 HydrophobicContact CE-CG2 3.27Å; M304-D444 HydrophobicContact SD-CB 4.23Å; M304-P499 HydrophobicContact CB-CB 4.41Å; M304-P499 HydrophobicContact CB-CG 4.29Å; M304-F502 HydrophobicContact CB-CD1 4.4Å; M304-F502 HydrophobicContact CB-CE1 4.31Å; M304-F502 HydrophobicContact CG-CD1 3.88Å; M304-F502 HydrophobicContact CG-CE1 3.47Å; M304-F502 VanDerWaalsContact CG-CE1 3.47Å; M304-F502 HydrophobicContact CG-CZ 4.13Å; M304-F502 HydrophobicContact SD-CE1 4.11Å; M304-F502 HydrophobicContact SD-CZ 4.43Å; M304-Y515 PolarHBondContact SD-OH 2.66Å
305	V	98.2	Very high	86.1	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	114.9	-176.6	-173.3	0	0	0	0	110.3	P288 F290 I291 P499 T500 H501 W503	P288-V305 HydrophobicContact CB-CG1 3.62Å; P288-V305 HydrophobicContact CG-CG1 3.96Å; F290-V305 WeakPolarHBondContact O-CA 3.44Å; I291-V305 HydrophobicContact CG1-CG2 4.37Å; V305-P499 CarbonylContact O-C 3.5Å; V305-P499 WeakPolarHBondContact O-CA 3.24Å; V305-T500 PolarHBondContact O-N 3.08Å; V305-T500 PolarHBondContact O-OG1 2.62Å; V305-T500 VanDerWaalsContact O-OG1 3.09Å; V305-H501 PolarHBondContact N-O 3.27Å; V305-W503 HydrophobicContact CG2-CB 4.15Å; V305-W503 HydrophobicContact CG2-CE3 3.76Å
306	H	98.7	Very high	87.7	Confident	1 Å²	1	15.3 Å²	15.3	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138.8	178	-56.4	-76.5	0	0	0	110.8	L289 F290 T443 D444 V446	L289-H306 PolarHBondContact N-O 3.31Å; F290-H306 HydrophobicContact CB-CB 4.4Å; F290-H306 PolarHBondContact N-O 3.31Å; F290-H306 PolarHBondContact O-N 2.65Å; H306-T443 PolarHBondContact CE1-O 3.47Å; H306-T443 VanDerWaalsContact CE1-O 3.22Å; H306-T443 PolarHBondContact NE2-O 2.93Å; H306-T443 VanDerWaalsContact NE2-O 3.07Å; H306-D444 PolarHBondContact CE1-O 3.22Å; H306-V446 HydrophobicContact CB-CG2 3.92Å; H306-V446 WeakPolarHBondContact CD2-CG2 3.39Å; H306-V446 WeakPolarHBondContact CE1-CG2 3.47Å; H306-V446 WeakPolarHBondContact ND1-CG2 3.35Å; H306-V446 VanDerWaalsContact NE2-CG2 3.3Å; H306-V446 WeakPolarHBondContact NE2-CG2 3.48Å
307	S	98.6	Very high	89.7	Confident	5 Å²	5	15.2 Å²	15.2	4%	0.035	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	151.5	-177.9	58.4	0	0	0	0	112.8	H287 G310 T311	H287-S307 CarbonylContact O-C 3.59Å; H287-S307 VanDerWaalsContact O-CA 3.29Å; H287-S307 WeakPolarHBondContact O-CA 3.46Å; S307-G310 PolarHBondContact O-N 3.31Å; S307-G310 WeakPolarHBondContact OG-CA 3.43Å; S307-G310 PolarHBondContact OG-N 3.03Å; S307-T311 VanDerWaalsContact O-CB 3.32Å; S307-T311 WeakPolarHBondContact O-CB 3.08Å; S307-T311 PolarHBondContact O-N 3.4Å; S307-T311 PolarHBondContact O-OG1 3.34Å; S307-T311 VanDerWaalsContact O-OG1 3.07Å
308	A	98.8	Very high	91.9	Very high	8 Å²	8	13.1 Å²	13.1	7%	0.066	9%	0.09	C	C	.	.	H	α-helix	trans	-57.9	-51.1	178.5	0	0	0	0	0	112.5	L101 F103 H287 L289 L312	L101-A308 HydrophobicContact CD1-CB 4.4Å; F103-A308 HydrophobicContact CB-CB 4.22Å; H287-A308 PolarHBondContact O-N 3.24Å; L289-A308 HydrophobicContact CB-CB 4.04Å; A308-L312 VanDerWaalsContact O-CB 3.23Å; A308-L312 WeakPolarHBondContact O-CB 3.49Å; A308-L312 PolarHBondContact O-N 3.44Å; A308-L312 VanDerWaalsContact O-N 3.07Å
309	G	98.7	Very high	94	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-68.7	-42.8	179.3	0	0	0	0	0	112.6	F285 L312 I313	F285-G309 WeakPolarHBondContact CE2-O 3.39Å; F285-G309 VanDerWaalsContact CZ-O 3.26Å; F285-G309 WeakPolarHBondContact CZ-O 3.05Å; F285-G309 WeakPolarHBondContact O-CA 3.39Å; F285-G309 PolarHBondContact O-N 3.18Å; G309-L312 PolarHBondContact O-N 2.86Å; G309-I313 WeakPolarHBondContact O-CG2 3.49Å; G309-I313 PolarHBondContact O-N 3.35Å
310	G	98.6	Very high	95.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.6	-46.1	-178.7	0	0	0	0	0	112.4	F285 S307 Q314 P496	F285-G310 VanDerWaalsContact CE1-N 3.27Å; F285-G310 VanDerWaalsContact CZ-N 3.27Å; S307-G310 PolarHBondContact O-N 3.31Å; S307-G310 WeakPolarHBondContact OG-CA 3.43Å; S307-G310 PolarHBondContact OG-N 3.03Å; G310-Q314 WeakPolarHBondContact O-CB 3.27Å; G310-Q314 PolarHBondContact O-N 3.19Å; G310-P496 WeakPolarHBondContact CA-O 3.46Å
311	T	98.8	Very high	96.8	Very high	1 Å²	1	5 Å²	5	1%	0.006	3%	0.026	C	C	.	.	H	α-helix	trans	-63.6	-46.3	173.7	-62.5	0	0	0	0	111.5	F103 L289 F290 S307 H315	F103-T311 HydrophobicContact CE2-CG2 4.16Å; L289-T311 HydrophobicContact CD2-CG2 4.16Å; F290-T311 HydrophobicContact CD2-CG2 4.17Å; F290-T311 HydrophobicContact CE2-CG2 3.99Å; S307-T311 VanDerWaalsContact O-CB 3.32Å; S307-T311 WeakPolarHBondContact O-CB 3.08Å; S307-T311 PolarHBondContact O-N 3.4Å; S307-T311 PolarHBondContact O-OG1 3.34Å; S307-T311 VanDerWaalsContact O-OG1 3.07Å; T311-H315 WeakPolarHBondContact CG2-CE1 3.23Å; T311-H315 WeakPolarHBondContact O-CB 3.32Å; T311-H315 PolarHBondContact O-N 2.95Å
312	L	98.9	Very high	97.6	Very high	2 Å²	2	5 Å²	5	1%	0.01	3%	0.025	C	C	.	.	H	α-helix	trans	-59.1	-55.8	-178.1	177.9	62.9	0	0	0	112.5	V73 L101 F103 N106 L107 A308 G309 Q314 H315 L316 A350	V73-L312 HydrophobicContact CG1-CD2 4.11Å; L101-L312 HydrophobicContact CD1-CD2 4.45Å; F103-L312 HydrophobicContact CD2-CB 4Å; F103-L312 HydrophobicContact CD2-CD1 4.38Å; F103-L312 HydrophobicContact CE2-CB 4.33Å; F103-L312 HydrophobicContact CE2-CD1 4.44Å; N106-L312 HydrophobicContact CB-CD1 3.83Å; N106-L312 HydrophobicContact CB-CD2 3.69Å; N106-L312 HydrophobicContact CB-CG 4.43Å; N106-L312 VanDerWaalsContact CG-CD2 3.41Å; L107-L312 HydrophobicContact CD1-CD1 4.07Å; A308-L312 VanDerWaalsContact O-CB 3.23Å; A308-L312 WeakPolarHBondContact O-CB 3.49Å; A308-L312 PolarHBondContact O-N 3.44Å; A308-L312 VanDerWaalsContact O-N 3.07Å; G309-L312 PolarHBondContact O-N 2.86Å; L312-Q314 VanDerWaalsContact C-N 3.29Å; L312-Q314 PolarHBondContact O-N 3.2Å; L312-H315 PolarHBondContact O-N 2.81Å; L312-L316 HydrophobicContact CD1-CD1 3.85Å; L312-L316 HydrophobicContact CD1-CG 4.11Å; L312-L316 HydrophobicContact CG-CD1 3.88Å; L312-L316 HydrophobicContact CG-CG 4.48Å; L312-L316 WeakPolarHBondContact O-CB 3.24Å; L312-L316 WeakPolarHBondContact O-CG 3.44Å; L312-L316 PolarHBondContact O-N 3.04Å; L312-A350 HydrophobicContact CD1-CB 4.29Å
313	I	98.8	Very high	98	Very high	1 Å²	1	2.8 Å²	2.8	1%	0.005	2%	0.019	C	C	.	.	H	α-helix	trans	-66.7	-35.7	-173.1	-162.6	172.2	0	0	0	111.5	W64 V67 W68 F96 F285 G309 L316 K317 P496	W64-I313 HydrophobicContact CE3-CD1 3.84Å; W64-I313 HydrophobicContact CE3-CG1 4.07Å; W64-I313 HydrophobicContact CE3-CG2 4.32Å; W64-I313 HydrophobicContact CZ3-CD1 4.41Å; W64-I313 HydrophobicContact CZ3-CG1 4.14Å; W64-I313 HydrophobicContact CZ3-CG2 4.16Å; V67-I313 HydrophobicContact CB-CD1 4.46Å; V67-I313 HydrophobicContact CG1-CD1 4.12Å; V67-I313 HydrophobicContact CG1-CG1 3.69Å; W68-I313 HydrophobicContact CB-CD1 4Å; W68-I313 HydrophobicContact CE3-CD1 4.26Å; F96-I313 HydrophobicContact CE1-CD1 4.49Å; F96-I313 HydrophobicContact CE2-CD1 3.7Å; F96-I313 HydrophobicContact CZ-CD1 3.48Å; F96-I313 VanDerWaalsContact CZ-CD1 3.48Å; F285-I313 HydrophobicContact CE2-CG2 4.48Å; F285-I313 HydrophobicContact CZ-CG2 3.97Å; G309-I313 WeakPolarHBondContact O-CG2 3.49Å; G309-I313 PolarHBondContact O-N 3.35Å; I313-L316 PolarHBondContact O-N 2.97Å; I313-K317 WeakPolarHBondContact O-CB 3.48Å; I313-K317 PolarHBondContact O-N 2.85Å; I313-P496 HydrophobicContact CG2-CB 3.84Å; I313-P496 HydrophobicContact CG2-CG 4.22Å
314	Q	98.6	Very high	98.2	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-67.1	-45.9	177.5	-171.2	73.7	17.1	0	0	111.5	G310 L312 K317 E318 S447 M470 C497	G310-Q314 WeakPolarHBondContact O-CB 3.27Å; G310-Q314 PolarHBondContact O-N 3.19Å; L312-Q314 VanDerWaalsContact C-N 3.29Å; L312-Q314 PolarHBondContact O-N 3.2Å; Q314-K317 PolarHBondContact O-N 3.17Å; Q314-E318 WeakPolarHBondContact O-CG 3.34Å; Q314-E318 PolarHBondContact O-N 2.93Å; Q314-S447 VanDerWaalsContact CD-OG 3.27Å; Q314-S447 VanDerWaalsContact CG-CB 3.41Å; Q314-S447 WeakPolarHBondContact CG-OG 3.28Å; Q314-S447 PolarHBondContact NE2-OG 3.39Å; Q314-M470 PolarHBondContact NE2-SD 3.21Å; Q314-C497 HydrophobicContact CB-CB 3.71Å; Q314-C497 HydrophobicContact CG-CB 3.66Å
315	H	98.8	Very high	98.4	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.005	3%	0.031	C	C	.	.	H	α-helix	trans	-64.6	-40.1	175.8	-71.3	177.5	0	0	0	111.9	T311 L312 E318 H319 W344 S347 V446	T311-H315 WeakPolarHBondContact CG2-CE1 3.23Å; T311-H315 WeakPolarHBondContact O-CB 3.32Å; T311-H315 PolarHBondContact O-N 2.95Å; L312-H315 PolarHBondContact O-N 2.81Å; H315-E318 PolarHBondContact O-N 3.33Å; H315-H319 WeakPolarHBondContact O-CB 3.3Å; H315-H319 PolarHBondContact O-CD2 2.96Å; H315-H319 PolarHBondContact O-N 3.3Å; H315-W344 AromaticContact CD2-CD1 3.58Å; H315-W344 AromaticContact NE2-CD1 3.75Å; H315-S347 PolarHBondContact CE1-OG 2.88Å; H315-S347 WeakPolarHBondContact ND1-CB 3.27Å; H315-S347 PolarHBondContact ND1-OG 3.46Å; H315-V446 PolarHBondContact CD2-O 2.8Å; H315-V446 VanDerWaalsContact CD2-O 3.32Å; H315-V446 PolarHBondContact NE2-O 2.99Å
316	L	98.8	Very high	98.3	Very high	1 Å²	1	7 Å²	7	1%	0.005	4%	0.042	C	C	.	.	H	α-helix	trans	-61.7	-45.4	175.5	-76.4	172.2	0	0	0	111.8	C71 V73 L312 I313 E318 H319 I320 A350 V351	C71-L316 HydrophobicContact CB-CB 3.9Å; C71-L316 HydrophobicContact CB-CD1 4.06Å; C71-L316 HydrophobicContact CB-CG 4.43Å; V73-L316 HydrophobicContact CG2-CD1 3.86Å; L312-L316 HydrophobicContact CD1-CD1 3.85Å; L312-L316 HydrophobicContact CD1-CG 4.11Å; L312-L316 HydrophobicContact CG-CD1 3.88Å; L312-L316 HydrophobicContact CG-CG 4.48Å; L312-L316 WeakPolarHBondContact O-CB 3.24Å; L312-L316 WeakPolarHBondContact O-CG 3.44Å; L312-L316 PolarHBondContact O-N 3.04Å; I313-L316 PolarHBondContact O-N 2.97Å; L316-E318 VanDerWaalsContact C-N 3.32Å; L316-E318 PolarHBondContact O-N 3.38Å; L316-H319 PolarHBondContact O-N 3.03Å; L316-I320 HydrophobicContact CB-CD1 4.49Å; L316-I320 HydrophobicContact CD2-CD1 3.94Å; L316-I320 VanDerWaalsContact O-CB 3.26Å; L316-I320 WeakPolarHBondContact O-CB 3.28Å; L316-I320 WeakPolarHBondContact O-CG1 3.22Å; L316-I320 PolarHBondContact O-N 3.34Å; L316-A350 HydrophobicContact CD2-CB 3.8Å; L316-V351 HydrophobicContact CD2-CG2 4.19Å
317	K	98.7	Very high	98.2	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-56.4	-47.8	173.8	-177.6	-148.1	68.9	-176.1	0	111.1	F63 W64 V67 I313 Q314 L321 H322 L468	F63-K317 HydrophobicContact CE1-CD 4.46Å; F63-K317 HydrophobicContact CZ-CD 4.05Å; F63-K317 HydrophobicContact CZ-CG 4.35Å; W64-K317 HydrophobicContact CH2-CD 3.84Å; W64-K317 HydrophobicContact CZ3-CB 4.44Å; W64-K317 HydrophobicContact CZ3-CD 4.24Å; V67-K317 HydrophobicContact CG1-CB 4.02Å; I313-K317 WeakPolarHBondContact O-CB 3.48Å; I313-K317 PolarHBondContact O-N 2.85Å; Q314-K317 PolarHBondContact O-N 3.17Å; K317-L321 HydrophobicContact CG-CD1 3.98Å; K317-L321 WeakPolarHBondContact O-CA 3.47Å; K317-L321 WeakPolarHBondContact O-CB 3.25Å; K317-L321 PolarHBondContact O-N 2.97Å; K317-H322 PolarHBondContact O-N 3.46Å; K317-L468 HydrophobicContact CD-CB 4.36Å; K317-L468 WeakPolarHBondContact CD-O 3.34Å; K317-L468 PolarHBondContact NZ-O 3.28Å
318	E	98.6	Very high	98.1	Very high	3 Å²	3	13.8 Å²	13.8	1%	0.014	9%	0.09	C	C	.	.	I	π-helix	trans	-68.1	-46.4	-178.6	-73.5	179.6	-169.8	0	0	112.8	Q314 H315 L316 H322 G323 W344 S447 C448	Q314-E318 WeakPolarHBondContact O-CG 3.34Å; Q314-E318 PolarHBondContact O-N 2.93Å; H315-E318 PolarHBondContact O-N 3.33Å; L316-E318 VanDerWaalsContact C-N 3.32Å; L316-E318 PolarHBondContact O-N 3.38Å; E318-H322 CarbonylContact O-C 3.51Å; E318-H322 WeakPolarHBondContact O-CA 3.34Å; E318-H322 VanDerWaalsContact O-CB 3.31Å; E318-H322 WeakPolarHBondContact O-CB 3.15Å; E318-H322 PolarHBondContact O-N 3.49Å; E318-G323 PolarHBondContact O-N 2.88Å; E318-W344 HydrophobicContact CB-CZ2 4.49Å; E318-W344 PolarHBondContact OE2-NE1 3.33Å; E318-S447 WeakPolarHBondContact OE1-CB 3.22Å; E318-S447 PolarHBondContact OE1-OG 3.1Å; E318-C448 PolarHBondContact OE1-N 3.38Å
319	H	98.6	Very high	98.1	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.009	9%	0.089	C	C	.	.	I	π-helix	trans	-65.8	-54.3	179.4	-76.6	-52.6	0	0	0	111.4	H315 L316 G323 N324 L325 W344 V351	H315-H319 WeakPolarHBondContact O-CB 3.3Å; H315-H319 PolarHBondContact O-CD2 2.96Å; H315-H319 PolarHBondContact O-N 3.3Å; L316-H319 PolarHBondContact O-N 3.03Å; H319-G323 CarbonylContact O-C 3.56Å; H319-G323 VanDerWaalsContact O-CA 3.25Å; H319-G323 WeakPolarHBondContact O-CA 3.47Å; H319-G323 PolarHBondContact O-N 2.72Å; H319-N324 PolarHBondContact O-N 2.82Å; H319-L325 HydrophobicContact CB-CB 4.22Å; H319-L325 HydrophobicContact CB-CD2 3.81Å; H319-L325 WeakPolarHBondContact O-CB 3.28Å; H319-L325 PolarHBondContact O-N 3.29Å; H319-W344 AromaticContact CE1-CD2 3.56Å; H319-W344 AromaticContact CE1-CE2 3.44Å; H319-W344 VanDerWaalsContact CE1-CE2 3.44Å; H319-W344 AromaticContact CE1-CE3 3.55Å; H319-W344 AromaticContact CE1-CH2 3.32Å; H319-W344 WeakPolarHBondContact CE1-CH2 3.41Å; H319-W344 AromaticContact CE1-CZ2 3.33Å; H319-W344 WeakPolarHBondContact CE1-CZ2 3.47Å; H319-W344 AromaticContact CE1-CZ3 3.44Å; H319-W344 VanDerWaalsContact CE1-CZ3 3.44Å; H319-W344 WeakPolarHBondContact CE1-CZ3 3.42Å; H319-W344 PolarHBondContact CE1-O 3.1Å; H319-W344 AromaticContact ND1-CE2 4Å; H319-W344 AromaticContact ND1-CH2 3.54Å; H319-W344 AromaticContact ND1-CZ2 3.5Å; H319-W344 WeakPolarHBondContact ND1-CZ2 3.36Å; H319-W344 AromaticContact NE2-CD2 3.87Å; H319-W344 AromaticContact NE2-CE2 3.83Å; H319-W344 PolarHBondContact NE2-O 2.65Å; H319-V351 HydrophobicContact CB-CG2 3.96Å
320	I	98.6	Very high	98.1	Very high	20 Å²	20	14.5 Å²	14.5	10%	0.103	9%	0.093	C	C	.	.	I	π-helix	trans	-73.7	-50.8	-172.6	-61.8	172.3	0	0	0	110.7	Q30 F70 C71 L316 N324 V351	Q30-I320 HydrophobicContact CB-CG2 4.02Å; Q30-I320 WeakPolarHBondContact CB-O 3.19Å; Q30-I320 HydrophobicContact CG-CG2 4.06Å; F70-I320 HydrophobicContact CE1-CG2 4.07Å; C71-I320 HydrophobicContact CB-CD1 3.91Å; L316-I320 HydrophobicContact CB-CD1 4.49Å; L316-I320 HydrophobicContact CD2-CD1 3.94Å; L316-I320 VanDerWaalsContact O-CB 3.26Å; L316-I320 WeakPolarHBondContact O-CB 3.28Å; L316-I320 WeakPolarHBondContact O-CG1 3.22Å; L316-I320 PolarHBondContact O-N 3.34Å; I320-N324 VanDerWaalsContact O-CA 3.22Å; I320-N324 WeakPolarHBondContact O-CA 3.37Å; I320-N324 PolarHBondContact O-N 2.73Å; I320-V351 HydrophobicContact CD1-CG2 4.11Å; I320-V351 HydrophobicContact CG1-CG1 4.09Å; I320-V351 HydrophobicContact CG1-CG2 3.68Å
321	L	98.6	Very high	98.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.093	C	C	.	.	I	π-helix	trans	-83.8	-56.7	-173.3	-52.1	-178.4	0	0	0	111.6	Q30 M31 F34 F70 K317 L468	Q30-L321 HydrophobicContact CB-CD2 4.49Å; M31-L321 HydrophobicContact CE-CB 3.85Å; M31-L321 HydrophobicContact SD-CB 4.1Å; F34-L321 HydrophobicContact CB-CD2 3.66Å; F34-L321 HydrophobicContact CD1-CD1 4.08Å; F34-L321 HydrophobicContact CD2-CD1 4.19Å; F34-L321 HydrophobicContact CD2-CD2 4.16Å; F34-L321 HydrophobicContact CE1-CD1 4.29Å; F34-L321 HydrophobicContact CE2-CD1 4.38Å; F34-L321 HydrophobicContact CG-CD1 4.02Å; F34-L321 HydrophobicContact CG-CD2 3.91Å; F34-L321 HydrophobicContact CZ-CD1 4.44Å; F70-L321 HydrophobicContact CD1-CD2 4Å; F70-L321 HydrophobicContact CE1-CD2 3.67Å; K317-L321 HydrophobicContact CG-CD1 3.98Å; K317-L321 WeakPolarHBondContact O-CA 3.47Å; K317-L321 WeakPolarHBondContact O-CB 3.25Å; K317-L321 PolarHBondContact O-N 2.97Å; L321-L468 HydrophobicContact CD1-CD1 4.2Å
322	H	98.2	Very high	98.1	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	9%	0.092	C	C	.	.	I	π-helix	trans	-75.9	-39.4	-176.1	-73.7	-86.4	0	0	0	112.8	Y49 K317 E318 N324 Q452 P454 N467 L468	Y49-H322 PolarHBondContact OH-CE1 3.32Å; Y49-H322 VanDerWaalsContact OH-CE1 3.26Å; K317-H322 PolarHBondContact O-N 3.46Å; E318-H322 CarbonylContact O-C 3.51Å; E318-H322 WeakPolarHBondContact O-CA 3.34Å; E318-H322 VanDerWaalsContact O-CB 3.31Å; E318-H322 WeakPolarHBondContact O-CB 3.15Å; E318-H322 PolarHBondContact O-N 3.49Å; H322-N324 VanDerWaalsContact C-N 3.32Å; H322-Q452 PolarHBondContact ND1-O 3.31Å; H322-Q452 WeakPolarHBondContact O-CG 3.05Å; H322-P454 WeakPolarHBondContact O-CD 3.25Å; H322-N467 PolarHBondContact CE1-OD1 3.05Å; H322-N467 PolarHBondContact ND1-OD1 2.81Å; H322-L468 PolarHBondContact NE2-N 3.1Å; H322-L468 VanDerWaalsContact NE2-N 3.18Å
323	G	96.3	Very high	98.1	Very high	9 Å²	9	14.5 Å²	14.5	9%	0.093	9%	0.093	C	C	.	.	S	Bend	trans	-80	-14.5	177.1	0	0	0	0	0	113.4	E318 H319 L325	E318-G323 PolarHBondContact O-N 2.88Å; H319-G323 CarbonylContact O-C 3.56Å; H319-G323 VanDerWaalsContact O-CA 3.25Å; H319-G323 WeakPolarHBondContact O-CA 3.47Å; H319-G323 PolarHBondContact O-N 2.72Å; G323-L325 PolarHBondContact O-N 3.26Å
324	N	97.1	Very high	97.9	Very high	50 Å²	50	16.5 Å²	16.5	27%	0.267	10%	0.1	S	C	.	.			trans	52.6	28.7	-169.1	-164.8	52.1	0	0	0	112.6	T29 Q30 H319 I320 H322 P454	T29-N324 WeakPolarHBondContact CA-OD1 3.43Å; T29-N324 WeakPolarHBondContact CB-OD1 3.31Å; Q30-N324 PolarHBondContact N-OD1 3Å; H319-N324 PolarHBondContact O-N 2.82Å; I320-N324 VanDerWaalsContact O-CA 3.22Å; I320-N324 WeakPolarHBondContact O-CA 3.37Å; I320-N324 PolarHBondContact O-N 2.73Å; H322-N324 VanDerWaalsContact C-N 3.32Å; N324-P454 HydrophobicContact CB-CB 4.35Å; N324-P454 HydrophobicContact CB-CG 4.16Å
325	L	97.3	Very high	97.6	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	10%	0.104	C	C	.	.			trans	-71.9	144.3	-172.4	-166	75.4	0	0	0	111	H319 G323 D329 A348 V351 A353 I381	H319-L325 HydrophobicContact CB-CB 4.22Å; H319-L325 HydrophobicContact CB-CD2 3.81Å; H319-L325 WeakPolarHBondContact O-CB 3.28Å; H319-L325 PolarHBondContact O-N 3.29Å; G323-L325 PolarHBondContact O-N 3.26Å; L325-D329 HydrophobicContact CD1-CB 3.33Å; L325-D329 HydrophobicContact CG-CB 4.19Å; L325-A348 HydrophobicContact CD2-CB 3.83Å; L325-V351 HydrophobicContact CB-CG1 4.42Å; L325-V351 HydrophobicContact CD2-CB 4.08Å; L325-V351 HydrophobicContact CD2-CG1 4.27Å; L325-V351 HydrophobicContact CD2-CG2 4.05Å; L325-V351 HydrophobicContact CG-CG1 4.22Å; L325-A353 HydrophobicContact CD1-CB 4.18Å; L325-A353 HydrophobicContact CD2-CB 3.78Å; L325-A353 HydrophobicContact CG-CB 4.04Å; L325-I381 HydrophobicContact CD1-CD1 3.51Å; L325-I381 HydrophobicContact CD1-CG1 4.49Å
326	T	96.9	Very high	97.4	Very high	38 Å²	38	18.2 Å²	18.2	23%	0.233	11%	0.111	C	C	.	.			trans	-135.1	169.3	179.5	66.8	0	0	0	0	110.8	S328 D329	T326-S328 PolarHBondContact O-N 3.47Å; T326-S328 VanDerWaalsContact O-N 3.1Å; T326-S328 PolarHBondContact OG1-N 3.18Å; T326-S328 PolarHBondContact OG1-OG 3.39Å; T326-D329 WeakPolarHBondContact CA-OD2 3.48Å; T326-D329 PolarHBondContact N-OD2 2.94Å; T326-D329 WeakPolarHBondContact O-CB 3.47Å; T326-D329 PolarHBondContact O-N 2.98Å; T326-D329 VanDerWaalsContact O-N 3.11Å; T326-D329 PolarHBondContact OG1-OD2 3.23Å
327	S	96.5	Very high	97.2	Very high	58 Å²	58	18.3 Å²	18.3	41%	0.406	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	0	173.2	68.6	0	0	0	0	114	K115 V351	K115-S327 VanDerWaalsContact CE-O 3.28Å; K115-S327 WeakPolarHBondContact CE-O 3.45Å; K115-S327 PolarHBondContact NZ-O 2.66Å; S327-V351 WeakPolarHBondContact CB-O 3.5Å
328	S	96.4	Very high	96.7	Very high	91 Å²	91	19.8 Å²	19.8	64%	0.636	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-10.5	169.9	44.9	0	0	0	0	113.4	T326	T326-S328 PolarHBondContact O-N 3.47Å; T326-S328 VanDerWaalsContact O-N 3.1Å; T326-S328 PolarHBondContact OG1-N 3.18Å; T326-S328 PolarHBondContact OG1-OG 3.39Å
329	D	98.4	Very high	96.2	Very high	9 Å²	9	22.2 Å²	22.2	5%	0.048	14%	0.136	C	C	.	.			trans	-77.6	152.5	-174.1	-72.1	-63.9	0	0	0	113.6	L325 T326 A353 S354 T380 H409	L325-D329 HydrophobicContact CD1-CB 3.33Å; L325-D329 HydrophobicContact CG-CB 4.19Å; T326-D329 WeakPolarHBondContact CA-OD2 3.48Å; T326-D329 PolarHBondContact N-OD2 2.94Å; T326-D329 WeakPolarHBondContact O-CB 3.47Å; T326-D329 PolarHBondContact O-N 2.98Å; T326-D329 VanDerWaalsContact O-N 3.11Å; T326-D329 PolarHBondContact OG1-OD2 3.23Å; D329-A353 HydrophobicContact CB-CB 4.28Å; D329-A353 WeakPolarHBondContact O-CA 3.37Å; D329-S354 PolarHBondContact O-N 2.93Å; D329-T380 WeakPolarHBondContact CA-OG1 3.39Å; D329-T380 WeakPolarHBondContact CB-OG1 3.23Å; D329-T380 WeakPolarHBondContact OD1-CB 3.46Å; D329-T380 PolarHBondContact OD1-OG1 3.21Å; D329-H409 IonicContact OD1-NE2 3.14Å; D329-H409 PolarHBondContact OD1-NE2 3.1Å; D329-H409 VanDerWaalsContact OD1-NE2 3.15Å
330	V	98.8	Very high	96	Very high	15 Å²	15	22.7 Å²	22.7	9%	0.091	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	111.2	171.9	-176.8	0	0	0	0	107	Y119 S354 V356 I379 T380 I381	Y119-V330 HydrophobicContact CD2-CG1 4.39Å; Y119-V330 HydrophobicContact CE2-CG1 4.29Å; V330-S354 CarbonylContact C-O 3.55Å; V330-S354 WeakPolarHBondContact CA-O 3.46Å; V330-V356 HydrophobicContact CG1-CG2 3.67Å; V330-I379 HydrophobicContact CG1-CG1 4.23Å; V330-T380 PolarHBondContact N-OG1 3.38Å; V330-T380 VanDerWaalsContact N-OG1 3.12Å; V330-T380 PolarHBondContact O-N 2.83Å; V330-T380 PolarHBondContact O-OG1 3.47Å; V330-I381 PolarHBondContact O-N 3.16Å
331	I	98.9	Very high	95.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.4	-172.6	-176.2	166.6	0	0	0	111.5	W344 L345 A348 S354 V355 V356 I381	I331-W344 HydrophobicContact CD1-CH2 4.26Å; I331-W344 HydrophobicContact CD1-CZ3 3.91Å; I331-L345 HydrophobicContact CB-CD1 4.46Å; I331-L345 HydrophobicContact CD1-CD1 4.41Å; I331-L345 HydrophobicContact CG1-CD1 3.93Å; I331-L345 HydrophobicContact CG2-CD1 3.95Å; I331-A348 HydrophobicContact CG2-CB 3.74Å; I331-S354 WeakPolarHBondContact CG2-O 3.34Å; I331-S354 PolarHBondContact N-O 3.08Å; I331-V355 HydrophobicContact CG2-CG2 4.22Å; I331-V356 PolarHBondContact O-N 3.28Å; I331-I381 WeakPolarHBondContact CA-O 3.26Å; I331-I381 HydrophobicContact CB-CB 4.24Å; I331-I381 HydrophobicContact CD1-CB 4.15Å; I331-I381 HydrophobicContact CD1-CG2 3.89Å; I331-I381 HydrophobicContact CG1-CB 3.92Å; I331-I381 HydrophobicContact CG1-CG2 4.01Å
332	I	98.8	Very high	95.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	145.2	165.6	-169.2	169.9	0	0	0	109.4	V356 I379 I381 F382 G383	I332-V356 HydrophobicContact CB-CB 3.91Å; I332-V356 HydrophobicContact CD1-CB 4.22Å; I332-V356 HydrophobicContact CD1-CG1 3.89Å; I332-V356 HydrophobicContact CG1-CB 4.06Å; I332-V356 HydrophobicContact CG1-CG1 4.27Å; I332-I379 HydrophobicContact CB-CD1 4.1Å; I332-I379 HydrophobicContact CB-CG2 4.48Å; I332-I379 HydrophobicContact CD1-CD1 4.38Å; I332-I379 HydrophobicContact CG2-CD1 3.85Å; I332-I379 HydrophobicContact CG2-CG2 3.76Å; I332-I381 PolarHBondContact N-O 2.8Å; I332-F382 HydrophobicContact CG2-CB 4.3Å; I332-F382 HydrophobicContact CG2-CD2 3.37Å; I332-F382 HydrophobicContact CG2-CE2 3.9Å; I332-F382 HydrophobicContact CG2-CG 4.1Å; I332-G383 PolarHBondContact O-N 3.33Å
333	Y	97.6	Very high	95.8	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.016	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.4	156.3	-141.8	-69	0	0	0	107.8	T335 M341 W344 G383 T384 L412 T414 I439	Y333-T335 WeakPolarHBondContact O-CG2 3.33Å; Y333-T335 PolarHBondContact O-N 3.24Å; Y333-M341 HydrophobicContact CD1-CB 4.19Å; Y333-M341 HydrophobicContact CD1-CE 4.34Å; Y333-M341 HydrophobicContact CD1-CG 4.46Å; Y333-M341 HydrophobicContact CD2-CE 3.55Å; Y333-M341 HydrophobicContact CE1-CB 4.48Å; Y333-M341 HydrophobicContact CE1-CE 4.16Å; Y333-M341 HydrophobicContact CE1-CG 4.26Å; Y333-M341 HydrophobicContact CE2-CE 3.33Å; Y333-M341 HydrophobicContact CG-CB 4.46Å; Y333-M341 HydrophobicContact CG-CE 4.08Å; Y333-W344 HydrophobicContact CD2-CE3 4.35Å; Y333-W344 HydrophobicContact CD2-CZ3 4.13Å; Y333-G383 CarbonylContact C-O 3.45Å; Y333-G383 WeakPolarHBondContact CA-O 3.33Å; Y333-T384 PolarHBondContact OH-O 2.89Å; Y333-T384 VanDerWaalsContact OH-O 3.1Å; Y333-L412 HydrophobicContact CE2-CB 3.97Å; Y333-L412 HydrophobicContact CE2-CD1 4.33Å; Y333-T414 HydrophobicContact CE1-CG2 3.8Å; Y333-T414 WeakPolarHBondContact OH-CB 3.32Å; Y333-T414 WeakPolarHBondContact OH-CG2 3.47Å; Y333-T414 PolarHBondContact OH-N 2.72Å; Y333-I439 HydrophobicContact CE2-CD1 4.16Å
334	Y	95.3	Very high	95.9	Very high	42 Å²	42	22.2 Å²	22.2	17%	0.165	13%	0.134	C	C	.	.			trans	-69.5	100.6	172.5	-178.7	-109.6	0	0	0	109.1	Y358 G360 P362 L370 G383	Y334-Y358 AromaticContact CD2-CD1 3.77Å; Y334-Y358 HydrophobicContact CD2-CD1 3.77Å; Y334-Y358 HydrophobicContact CD2-CE1 4.28Å; Y334-Y358 AromaticContact CE2-CD1 3.68Å; Y334-Y358 HydrophobicContact CE2-CD1 3.68Å; Y334-Y358 AromaticContact CE2-CE1 3.88Å; Y334-Y358 HydrophobicContact CE2-CE1 3.88Å; Y334-G360 WeakPolarHBondContact CE2-O 3.39Å; Y334-G360 PolarHBondContact OH-O 2.5Å; Y334-P362 HydrophobicContact CD1-CB 4.21Å; Y334-P362 HydrophobicContact CD1-CG 4.34Å; Y334-P362 HydrophobicContact CD2-CB 4.22Å; Y334-P362 HydrophobicContact CE1-CB 3.85Å; Y334-P362 HydrophobicContact CE1-CG 3.62Å; Y334-P362 HydrophobicContact CE2-CB 3.88Å; Y334-P362 HydrophobicContact CE2-CG 4.31Å; Y334-P362 HydrophobicContact CG-CB 4.4Å; Y334-P362 VanDerWaalsContact OH-CD 3.25Å; Y334-P362 WeakPolarHBondContact OH-CD 3.4Å; Y334-L370 HydrophobicContact CD2-CD1 4.12Å; Y334-L370 HydrophobicContact CG-CD1 4.05Å; Y334-G383 PolarHBondContact N-O 3.09Å
335	T	93.4	Very high	96	Very high	14 Å²	14	19.8 Å²	19.8	9%	0.086	12%	0.121	C	C	.	.			trans	-154.5	169.2	-170.8	-167.7	0	0	0	0	111.2	N164 Y333 M341 W342 L345	N164-T335 PolarHBondContact ND2-O 3.18Å; Y333-T335 WeakPolarHBondContact O-CG2 3.33Å; Y333-T335 PolarHBondContact O-N 3.24Å; T335-M341 HydrophobicContact CG2-CB 4.44Å; T335-W342 HydrophobicContact CG2-CB 3.88Å; T335-L345 HydrophobicContact CG2-CD2 4.46Å
336	T	92.7	Very high	96	Very high	24 Å²	24	19.7 Å²	19.7	15%	0.147	12%	0.12	C	C	.	.			trans	-115.7	161.7	170.9	83.7	0	0	0	0	110.2	S186 G338 W339 W342	S186-T336 VanDerWaalsContact CB-CB 3.5Å; S186-T336 WeakPolarHBondContact CB-OG1 3.5Å; S186-T336 PolarHBondContact OG-OG1 3.19Å; T336-G338 PolarHBondContact O-N 2.81Å; T336-G338 PolarHBondContact OG1-N 2.73Å; T336-W339 PolarHBondContact O-N 3.28Å; T336-W339 PolarHBondContact OG1-NE1 2.88Å; T336-W342 WeakPolarHBondContact O-CB 3.44Å
337	T	95.1	Very high	96.1	Very high	2 Å²	2	18 Å²	18	1%	0.012	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-9.7	176	55.6	0	0	0	0	114.2	L162 P163 A168 S184 S186 W342	L162-T337 PolarHBondContact O-OG1 3.22Å; P163-T337 VanDerWaalsContact O-CG2 3.28Å; P163-T337 WeakPolarHBondContact O-CG2 3.32Å; A168-T337 HydrophobicContact CB-CG2 4Å; S184-T337 PolarHBondContact OG-O 3.11Å; S186-T337 WeakPolarHBondContact CA-OG1 3.18Å; T337-W342 HydrophobicContact CG2-CD2 4.17Å; T337-W342 HydrophobicContact CG2-CG 4.34Å; T337-W342 HydrophobicContact CG2-CZ2 4.38Å
338	G	88.5	Confident	96.2	Very high	32 Å²	32	15.2 Å²	15.2	33%	0.33	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-7.3	174.8	0	0	0	0	0	114.3	T336	T336-G338 PolarHBondContact O-N 2.81Å; T336-G338 PolarHBondContact OG1-N 2.73Å
339	W	87.8	Confident	96.3	Very high	53 Å²	53	10.9 Å²	10.9	20%	0.201	6%	0.06	C	C	.	.	S	Bend	trans	-111.6	143.9	-179.6	-60.2	89.7	0	0	0	111.1	T336 M341 W342 V553	T336-W339 PolarHBondContact O-N 3.28Å; T336-W339 PolarHBondContact OG1-NE1 2.88Å; W339-M341 PolarHBondContact O-N 3.29Å; W339-W342 WeakPolarHBondContact O-CB 3.49Å; W339-W342 PolarHBondContact O-N 2.94Å; W339-V553 VanDerWaalsContact CH2-CA 3.42Å; W339-V553 HydrophobicContact CH2-CB 3.9Å; W339-V553 HydrophobicContact CH2-CG1 3.54Å; W339-V553 HydrophobicContact CH2-CG2 4.28Å; W339-V553 HydrophobicContact CZ2-CB 4.17Å; W339-V553 HydrophobicContact CZ2-CG1 3.68Å; W339-V553 HydrophobicContact CZ2-CG2 4.13Å
340	M	94.1	Very high	96.3	Very high	12 Å²	12	10.6 Å²	10.6	6%	0.059	6%	0.059	C	C	.	.	H	α-helix	trans	-56.6	-24	177.1	65.8	75.3	63.3	0	0	113.8	M292 W342 N343 W344 V446	M292-M340 HydrophobicContact CE-CB 3.43Å; M292-M340 VanDerWaalsContact CE-CB 3.43Å; M292-M340 HydrophobicContact SD-CB 4.03Å; M340-W342 PolarHBondContact O-N 3.18Å; M340-N343 WeakPolarHBondContact O-CB 3.39Å; M340-N343 PolarHBondContact O-N 2.83Å; M340-N343 VanDerWaalsContact O-N 3.09Å; M340-W344 PolarHBondContact O-N 2.48Å; M340-V446 HydrophobicContact CB-CG1 4.35Å; M340-V446 HydrophobicContact CE-CG1 4.36Å
341	M	94.8	Very high	96.3	Very high	13 Å²	13	10.7 Å²	10.7	6%	0.064	6%	0.06	C	C	.	.	H	α-helix	trans	-63.1	-24.8	176.4	-65.2	-52.2	-44.1	0	0	112.5	Y333 T335 W339 W344 L345 T414 I439	Y333-M341 HydrophobicContact CD1-CB 4.19Å; Y333-M341 HydrophobicContact CD1-CE 4.34Å; Y333-M341 HydrophobicContact CD1-CG 4.46Å; Y333-M341 HydrophobicContact CD2-CE 3.55Å; Y333-M341 HydrophobicContact CE1-CB 4.48Å; Y333-M341 HydrophobicContact CE1-CE 4.16Å; Y333-M341 HydrophobicContact CE1-CG 4.26Å; Y333-M341 HydrophobicContact CE2-CE 3.33Å; Y333-M341 HydrophobicContact CG-CB 4.46Å; Y333-M341 HydrophobicContact CG-CE 4.08Å; T335-M341 HydrophobicContact CG2-CB 4.44Å; W339-M341 PolarHBondContact O-N 3.29Å; M341-W344 HydrophobicContact CE-CB 4.31Å; M341-W344 HydrophobicContact CE-CD2 4.02Å; M341-W344 HydrophobicContact CE-CE3 3.73Å; M341-W344 HydrophobicContact CE-CG 4.27Å; M341-W344 HydrophobicContact CE-CZ3 4.4Å; M341-L345 WeakPolarHBondContact O-CB 3.26Å; M341-L345 PolarHBondContact O-N 3.44Å; M341-T414 HydrophobicContact CG-CG2 3.86Å; M341-T414 HydrophobicContact SD-CG2 3.9Å; M341-I439 HydrophobicContact CE-CD1 3.92Å; M341-I439 HydrophobicContact SD-CD1 4.35Å
342	W	98.3	Very high	96.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-69.2	-46.6	171.6	179.6	80.5	0	0	0	111.2	N164 A168 V169 M172 W182 T335 T336 T337 W339 M340 W344 L345 V346	N164-W342 VanDerWaalsContact OD1-CD1 3.27Å; N164-W342 PolarHBondContact OD1-NE1 2.76Å; A168-W342 HydrophobicContact CB-CH2 4.49Å; A168-W342 HydrophobicContact CB-CZ2 3.82Å; V169-W342 HydrophobicContact CG2-CZ2 4.06Å; M172-W342 HydrophobicContact CB-CH2 3.81Å; M172-W342 HydrophobicContact CB-CZ3 4.47Å; M172-W342 HydrophobicContact CE-CH2 4.27Å; M172-W342 HydrophobicContact CG-CH2 3.99Å; M172-W342 HydrophobicContact CG-CZ3 4.2Å; W182-W342 AromaticContact NE1-CZ3 3.85Å; T335-W342 HydrophobicContact CG2-CB 3.88Å; T336-W342 WeakPolarHBondContact O-CB 3.44Å; T337-W342 HydrophobicContact CG2-CD2 4.17Å; T337-W342 HydrophobicContact CG2-CG 4.34Å; T337-W342 HydrophobicContact CG2-CZ2 4.38Å; W339-W342 WeakPolarHBondContact O-CB 3.49Å; W339-W342 PolarHBondContact O-N 2.94Å; M340-W342 PolarHBondContact O-N 3.18Å; W342-W344 VanDerWaalsContact C-N 3.29Å; W342-W344 PolarHBondContact O-N 2.8Å; W342-L345 PolarHBondContact O-N 2.86Å; W342-V346 HydrophobicContact CD2-CG2 4.22Å; W342-V346 HydrophobicContact CZ2-CG2 4.03Å; W342-V346 WeakPolarHBondContact O-CG2 3.08Å; W342-V346 PolarHBondContact O-N 2.83Å
343	N	98.5	Very high	96.2	Very high	4 Å²	4	10.7 Å²	10.7	2%	0.021	6%	0.06	C	C	.	.	H	α-helix	trans	-60	-42	175.4	-53.7	74.2	0	0	0	111.4	F290 M340 S347 V446	F290-N343 WeakPolarHBondContact CE1-ND2 3.45Å; F290-N343 HydrophobicContact CE2-CB 4.07Å; F290-N343 HydrophobicContact CZ-CB 4.43Å; F290-N343 WeakPolarHBondContact CZ-ND2 3.42Å; M340-N343 WeakPolarHBondContact O-CB 3.39Å; M340-N343 PolarHBondContact O-N 2.83Å; M340-N343 VanDerWaalsContact O-N 3.09Å; N343-S347 PolarHBondContact O-N 3.13Å; N343-S347 PolarHBondContact O-OG 2.9Å; N343-V446 HydrophobicContact CB-CG1 4.07Å
344	W	98.3	Very high	96.3	Very high	3 Å²	3	10.6 Å²	10.6	1%	0.011	6%	0.059	C	C	.	.	H	α-helix	trans	-62.7	-49.4	175.5	-172.8	89.8	0	0	0	111.8	H315 E318 H319 I331 Y333 M340 M341 W342 V346 S347 L412	H315-W344 AromaticContact CD2-CD1 3.58Å; H315-W344 AromaticContact NE2-CD1 3.75Å; E318-W344 HydrophobicContact CB-CZ2 4.49Å; E318-W344 PolarHBondContact OE2-NE1 3.33Å; H319-W344 AromaticContact CE1-CD2 3.56Å; H319-W344 AromaticContact CE1-CE2 3.44Å; H319-W344 VanDerWaalsContact CE1-CE2 3.44Å; H319-W344 AromaticContact CE1-CE3 3.55Å; H319-W344 AromaticContact CE1-CH2 3.32Å; H319-W344 WeakPolarHBondContact CE1-CH2 3.41Å; H319-W344 AromaticContact CE1-CZ2 3.33Å; H319-W344 WeakPolarHBondContact CE1-CZ2 3.47Å; H319-W344 AromaticContact CE1-CZ3 3.44Å; H319-W344 VanDerWaalsContact CE1-CZ3 3.44Å; H319-W344 WeakPolarHBondContact CE1-CZ3 3.42Å; H319-W344 PolarHBondContact CE1-O 3.1Å; H319-W344 AromaticContact ND1-CE2 4Å; H319-W344 AromaticContact ND1-CH2 3.54Å; H319-W344 AromaticContact ND1-CZ2 3.5Å; H319-W344 WeakPolarHBondContact ND1-CZ2 3.36Å; H319-W344 AromaticContact NE2-CD2 3.87Å; H319-W344 AromaticContact NE2-CE2 3.83Å; H319-W344 PolarHBondContact NE2-O 2.65Å; I331-W344 HydrophobicContact CD1-CH2 4.26Å; I331-W344 HydrophobicContact CD1-CZ3 3.91Å; Y333-W344 HydrophobicContact CD2-CE3 4.35Å; Y333-W344 HydrophobicContact CD2-CZ3 4.13Å; M340-W344 PolarHBondContact O-N 2.48Å; M341-W344 HydrophobicContact CE-CB 4.31Å; M341-W344 HydrophobicContact CE-CD2 4.02Å; M341-W344 HydrophobicContact CE-CE3 3.73Å; M341-W344 HydrophobicContact CE-CG 4.27Å; M341-W344 HydrophobicContact CE-CZ3 4.4Å; W342-W344 VanDerWaalsContact C-N 3.29Å; W342-W344 PolarHBondContact O-N 2.8Å; W344-V346 PolarHBondContact O-N 2.95Å; W344-S347 WeakPolarHBondContact O-CB 3.43Å; W344-S347 PolarHBondContact O-N 2.88Å; W344-L412 HydrophobicContact CH2-CD1 3.93Å; W344-L412 HydrophobicContact CZ3-CD1 4.32Å
345	L	98.7	Very high	96.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-57.2	-50.5	178.2	172.6	63.6	0	0	0	111.9	I331 T335 M341 W342 S347 A348 V355	I331-L345 HydrophobicContact CB-CD1 4.46Å; I331-L345 HydrophobicContact CD1-CD1 4.41Å; I331-L345 HydrophobicContact CG1-CD1 3.93Å; I331-L345 HydrophobicContact CG2-CD1 3.95Å; T335-L345 HydrophobicContact CG2-CD2 4.46Å; M341-L345 WeakPolarHBondContact O-CB 3.26Å; M341-L345 PolarHBondContact O-N 3.44Å; W342-L345 PolarHBondContact O-N 2.86Å; L345-S347 PolarHBondContact O-N 3.09Å; L345-A348 WeakPolarHBondContact O-CB 3.16Å; L345-A348 PolarHBondContact O-N 3.27Å; L345-V355 HydrophobicContact CD1-CG1 3.94Å; L345-V355 HydrophobicContact CD2-CG1 4.03Å; L345-V355 HydrophobicContact CG-CG1 3.7Å
346	V	98.8	Very high	96.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.2	-27.5	-177.1	175.1	0	0	0	0	111.8	L107 V169 M172 W342 W344 A348 L349	L107-V346 HydrophobicContact CD2-CG1 4.26Å; V169-V346 HydrophobicContact CG1-CG1 3.9Å; V169-V346 HydrophobicContact CG2-CG1 4.4Å; V169-V346 HydrophobicContact CG2-CG2 3.85Å; M172-V346 HydrophobicContact CE-CB 4.27Å; M172-V346 HydrophobicContact CE-CG1 3.42Å; M172-V346 VanDerWaalsContact CE-CG1 3.42Å; W342-V346 HydrophobicContact CD2-CG2 4.22Å; W342-V346 HydrophobicContact CZ2-CG2 4.03Å; W342-V346 WeakPolarHBondContact O-CG2 3.08Å; W342-V346 PolarHBondContact O-N 2.83Å; W344-V346 PolarHBondContact O-N 2.95Å; V346-A348 PolarHBondContact O-N 2.76Å; V346-L349 HydrophobicContact CG1-CD1 4.01Å; V346-L349 WeakPolarHBondContact O-CB 3.41Å; V346-L349 VanDerWaalsContact O-CG 3.25Å; V346-L349 WeakPolarHBondContact O-CG 3.4Å; V346-L349 PolarHBondContact O-N 2.89Å
347	S	98.6	Very high	97	Very high	2 Å²	2	6.8 Å²	6.8	1%	0.014	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-69.7	-11.8	177.9	-58	0	0	0	0	114.1	H315 N343 W344 L345 L349 A350	H315-S347 PolarHBondContact CE1-OG 2.88Å; H315-S347 WeakPolarHBondContact ND1-CB 3.27Å; H315-S347 PolarHBondContact ND1-OG 3.46Å; N343-S347 PolarHBondContact O-N 3.13Å; N343-S347 PolarHBondContact O-OG 2.9Å; W344-S347 WeakPolarHBondContact O-CB 3.43Å; W344-S347 PolarHBondContact O-N 2.88Å; L345-S347 PolarHBondContact O-N 3.09Å; S347-L349 PolarHBondContact O-N 2.71Å; S347-A350 WeakPolarHBondContact O-CB 3.4Å; S347-A350 PolarHBondContact O-N 2.82Å; S347-A350 VanDerWaalsContact O-N 3.07Å
348	A	98.7	Very high	97.2	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-60.4	-22.5	170.5	0	0	0	0	0	112.8	L325 I331 L345 V346 A350 V351 A353 V355	L325-A348 HydrophobicContact CD2-CB 3.83Å; I331-A348 HydrophobicContact CG2-CB 3.74Å; L345-A348 WeakPolarHBondContact O-CB 3.16Å; L345-A348 PolarHBondContact O-N 3.27Å; V346-A348 PolarHBondContact O-N 2.76Å; A348-A350 PolarHBondContact O-N 3.14Å; A348-V351 WeakPolarHBondContact O-CB 3.39Å; A348-V351 PolarHBondContact O-N 2.93Å; A348-A353 HydrophobicContact CB-CB 4.3Å; A348-A353 PolarHBondContact O-N 3.47Å; A348-V355 HydrophobicContact CB-CG2 4.03Å
349	L	98.8	Very high	97.5	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.03	C	C	.	.	G	3₁₀ helix	trans	-57.3	-31.1	172.7	-66.7	173.8	0	0	0	112.5	L107 H110 A117 L118 F133 L136 V169 L173 V346 S347 V351 G352 V355	L107-L349 HydrophobicContact CB-CB 4.18Å; L107-L349 HydrophobicContact CD2-CB 4.45Å; L107-L349 HydrophobicContact CG-CB 4.2Å; H110-L349 PolarHBondContact CD2-O 2.84Å; A117-L349 HydrophobicContact CB-CD2 3.97Å; L118-L349 HydrophobicContact CD2-CD1 4.28Å; L118-L349 HydrophobicContact CD2-CD2 4.15Å; F133-L349 HydrophobicContact CE1-CB 4.24Å; F133-L349 HydrophobicContact CE1-CD2 3.8Å; F133-L349 HydrophobicContact CZ-CD2 3.84Å; L136-L349 HydrophobicContact CD2-CD1 3.98Å; V169-L349 HydrophobicContact CG1-CD1 4.22Å; L173-L349 HydrophobicContact CD1-CD1 4.43Å; V346-L349 HydrophobicContact CG1-CD1 4.01Å; V346-L349 WeakPolarHBondContact O-CB 3.41Å; V346-L349 VanDerWaalsContact O-CG 3.25Å; V346-L349 WeakPolarHBondContact O-CG 3.4Å; V346-L349 PolarHBondContact O-N 2.89Å; S347-L349 PolarHBondContact O-N 2.71Å; L349-V351 PolarHBondContact O-N 3.05Å; L349-G352 PolarHBondContact O-N 3.24Å; L349-V355 HydrophobicContact CD2-CG2 4.02Å; L349-V355 HydrophobicContact CG-CG2 4.04Å
350	A	98.5	Very high	97.8	Very high	3 Å²	3	4 Å²	4	3%	0.025	2%	0.022	C	C	.	.	G	3₁₀ helix	trans	-67.5	-16.8	177.8	0	0	0	0	0	114	N106 L107 K109 H110 L312 L316 S347 A348	N106-A350 WeakPolarHBondContact O-CA 3.45Å; L107-A350 HydrophobicContact CD1-CB 3.84Å; L107-A350 HydrophobicContact CG-CB 4.04Å; K109-A350 WeakPolarHBondContact CE-O 3.1Å; K109-A350 PolarHBondContact NZ-O 3.01Å; H110-A350 PolarHBondContact NE2-O 3.23Å; L312-A350 HydrophobicContact CD1-CB 4.29Å; L316-A350 HydrophobicContact CD2-CB 3.8Å; S347-A350 WeakPolarHBondContact O-CB 3.4Å; S347-A350 PolarHBondContact O-N 2.82Å; S347-A350 VanDerWaalsContact O-N 3.07Å; A348-A350 PolarHBondContact O-N 3.14Å
351	V	98.3	Very high	97.6	Very high	17 Å²	17	3.5 Å²	3.5	10%	0.103	2%	0.02	C	C	.	.	G	3₁₀ helix	trans	-91	-12.9	173.1	-172.7	0	0	0	0	111.1	L316 H319 I320 L325 S327 A348 L349	L316-V351 HydrophobicContact CD2-CG2 4.19Å; H319-V351 HydrophobicContact CB-CG2 3.96Å; I320-V351 HydrophobicContact CD1-CG2 4.11Å; I320-V351 HydrophobicContact CG1-CG1 4.09Å; I320-V351 HydrophobicContact CG1-CG2 3.68Å; L325-V351 HydrophobicContact CB-CG1 4.42Å; L325-V351 HydrophobicContact CD2-CB 4.08Å; L325-V351 HydrophobicContact CD2-CG1 4.27Å; L325-V351 HydrophobicContact CD2-CG2 4.05Å; L325-V351 HydrophobicContact CG-CG1 4.22Å; S327-V351 WeakPolarHBondContact CB-O 3.5Å; A348-V351 WeakPolarHBondContact O-CB 3.39Å; A348-V351 PolarHBondContact O-N 2.93Å; L349-V351 PolarHBondContact O-N 3.05Å
352	G	97.9	Very high	97.4	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	11.2	-170.8	0	0	0	0	0	113.6	H110 K115 L349	H110-G352 PolarHBondContact CD2-N 3.39Å; H110-G352 PolarHBondContact NE2-N 3.48Å; K115-G352 PolarHBondContact NZ-O 3.24Å; L349-G352 PolarHBondContact O-N 3.24Å
353	A	98.3	Very high	96.9	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.032	C	C	.	.			trans	-71.9	152.7	174.3	0	0	0	0	0	110.9	L325 D329 A348	L325-A353 HydrophobicContact CD1-CB 4.18Å; L325-A353 HydrophobicContact CD2-CB 3.78Å; L325-A353 HydrophobicContact CG-CB 4.04Å; D329-A353 HydrophobicContact CB-CB 4.28Å; D329-A353 WeakPolarHBondContact O-CA 3.37Å; A348-A353 HydrophobicContact CB-CB 4.3Å; A348-A353 PolarHBondContact O-N 3.47Å
354	S	98.8	Very high	96.6	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.007	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	135	174.3	-54.7	0	0	0	0	109.7	K115 V116 A117 D329 V330 I331	K115-S354 VanDerWaalsContact CE-OG 3.23Å; K115-S354 WeakPolarHBondContact CE-OG 3.45Å; K115-S354 PolarHBondContact NZ-OG 2.72Å; V116-S354 WeakPolarHBondContact O-CB 3.36Å; V116-S354 PolarHBondContact O-OG 2.99Å; A117-S354 CarbonylContact O-C 3.55Å; A117-S354 WeakPolarHBondContact O-CA 3.4Å; D329-S354 PolarHBondContact O-N 2.93Å; V330-S354 CarbonylContact C-O 3.55Å; V330-S354 WeakPolarHBondContact CA-O 3.46Å; I331-S354 WeakPolarHBondContact CG2-O 3.34Å; I331-S354 PolarHBondContact N-O 3.08Å
355	V	98.9	Very high	96.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.8	-179.2	173.6	0	0	0	0	110	A117 L118 Y119 I331 L345 A348 L349 L357	A117-V355 PolarHBondContact O-N 3.09Å; L118-V355 CarbonylContact C-O 3.58Å; L118-V355 WeakPolarHBondContact CA-O 3.17Å; L118-V355 HydrophobicContact CD2-CB 3.99Å; L118-V355 HydrophobicContact CD2-CG1 4.44Å; Y119-V355 PolarHBondContact N-O 3.06Å; I331-V355 HydrophobicContact CG2-CG2 4.22Å; L345-V355 HydrophobicContact CD1-CG1 3.94Å; L345-V355 HydrophobicContact CD2-CG1 4.03Å; L345-V355 HydrophobicContact CG-CG1 3.7Å; A348-V355 HydrophobicContact CB-CG2 4.03Å; L349-V355 HydrophobicContact CD2-CG2 4.02Å; L349-V355 HydrophobicContact CG-CG2 4.04Å; V355-L357 HydrophobicContact CG1-CD2 3.69Å; V355-L357 HydrophobicContact CG1-CG 4.32Å
356	V	98.9	Very high	95.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.8	171.5	-172.9	0	0	0	0	109.2	Y119 V330 I331 I332 L377 I379	Y119-V356 HydrophobicContact CD2-CG2 4.21Å; Y119-V356 CarbonylContact O-C 3.53Å; Y119-V356 WeakPolarHBondContact O-CA 3.27Å; V330-V356 HydrophobicContact CG1-CG2 3.67Å; I331-V356 PolarHBondContact O-N 3.28Å; I332-V356 HydrophobicContact CB-CB 3.91Å; I332-V356 HydrophobicContact CD1-CB 4.22Å; I332-V356 HydrophobicContact CD1-CG1 3.89Å; I332-V356 HydrophobicContact CG1-CB 4.06Å; I332-V356 HydrophobicContact CG1-CG1 4.27Å; V356-L377 HydrophobicContact CG1-CD1 3.76Å; V356-L377 HydrophobicContact CG2-CD1 3.94Å; V356-I379 HydrophobicContact CG2-CD1 4.08Å; V356-I379 HydrophobicContact CG2-CG1 4.15Å
357	L	98.8	Very high	95.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.5	174	-51.6	173.5	0	0	0	107.7	L118 Y119 A120 A121 N164 I166 V169 V355	L118-L357 HydrophobicContact CD1-CD1 4.26Å; L118-L357 HydrophobicContact CD2-CD1 4.28Å; Y119-L357 PolarHBondContact O-N 3.32Å; A120-L357 WeakPolarHBondContact CA-O 3.37Å; A121-L357 PolarHBondContact N-O 3.04Å; N164-L357 WeakPolarHBondContact OD1-CD2 3.15Å; I166-L357 HydrophobicContact CG1-CD1 4.37Å; V169-L357 HydrophobicContact CG2-CD1 3.77Å; V169-L357 HydrophobicContact CG2-CD2 4.09Å; V355-L357 HydrophobicContact CG1-CD2 3.69Å; V355-L357 HydrophobicContact CG1-CG 4.32Å
358	Y	98	Very high	95.2	Very high	6 Å²	6	18.6 Å²	18.6	2%	0.024	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.1	178.1	179.3	-104.5	0	0	0	110.4	A121 N164 Y334 G360 S361 M364 V369 L370 L373	A121-Y358 HydrophobicContact CB-CD2 3.95Å; A121-Y358 WeakPolarHBondContact O-CA 3.39Å; N164-Y358 PolarHBondContact ND2-O 3.43Å; Y334-Y358 AromaticContact CD2-CD1 3.77Å; Y334-Y358 HydrophobicContact CD2-CD1 3.77Å; Y334-Y358 HydrophobicContact CD2-CE1 4.28Å; Y334-Y358 AromaticContact CE2-CD1 3.68Å; Y334-Y358 HydrophobicContact CE2-CD1 3.68Å; Y334-Y358 AromaticContact CE2-CE1 3.88Å; Y334-Y358 HydrophobicContact CE2-CE1 3.88Å; Y358-G360 WeakPolarHBondContact CE1-O 3.17Å; Y358-S361 PolarHBondContact OH-O 2.97Å; Y358-M364 PolarHBondContact OH-O 3.47Å; Y358-V369 HydrophobicContact CE2-CG2 4.25Å; Y358-L370 HydrophobicContact CD1-CD2 3.84Å; Y358-L370 HydrophobicContact CE1-CD2 3.93Å; Y358-L370 HydrophobicContact CG-CD2 4.14Å; Y358-L373 HydrophobicContact CD2-CD1 3.66Å; Y358-L373 HydrophobicContact CE2-CD1 4.02Å; Y358-L373 HydrophobicContact CG-CD1 4.39Å
359	D	96.4	Very high	95.1	Very high	18 Å²	18	19.4 Å²	19.4	10%	0.096	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	103.5	175	179.2	41.8	0	0	0	110.2	A121 R122 E123 P163 Y243	A121-D359 PolarHBondContact O-N 2.87Å; A121-D359 VanDerWaalsContact O-N 3.08Å; R122-D359 WeakPolarHBondContact CA-O 3.07Å; R122-D359 HydrophobicContact CG-CB 4.47Å; E123-D359 PolarHBondContact N-O 3.01Å; P163-D359 HydrophobicContact CB-CB 4.32Å; P163-D359 VanDerWaalsContact CB-CG 3.46Å; P163-D359 VanDerWaalsContact CB-OD1 3.3Å; P163-D359 WeakPolarHBondContact CB-OD1 3.3Å; P163-D359 WeakPolarHBondContact CB-OD2 3.33Å; Y243-D359 WeakPolarHBondContact CE1-OD2 3.14Å; Y243-D359 VanDerWaalsContact CZ-OD2 3.29Å; Y243-D359 WeakPolarHBondContact OH-CB 3.49Å; Y243-D359 PolarHBondContact OH-OD2 2.67Å
360	G	93.6	Very high	95	Very high	4 Å²	4	19.4 Å²	19.4	4%	0.041	12%	0.115	C	C	.	.	S	Bend	trans	165.5	171.7	-175.4	0	0	0	0	0	115.3	Y334 Y358	Y334-G360 WeakPolarHBondContact CE2-O 3.39Å; Y334-G360 PolarHBondContact OH-O 2.5Å; Y358-G360 WeakPolarHBondContact CE1-O 3.17Å
361	S	90.8	Very high	94.9	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.021	11%	0.114	C	C	.	.			trans	-70.3	132.9	165.9	175.8	0	0	0	0	109.7	E123 Y358 L363 M364	E123-S361 VanDerWaalsContact OE2-CB 3.25Å; E123-S361 WeakPolarHBondContact OE2-CB 3.21Å; E123-S361 PolarHBondContact OE2-N 3.03Å; Y358-S361 PolarHBondContact OH-O 2.97Å; S361-L363 PolarHBondContact O-N 3.09Å; S361-L363 PolarHBondContact OG-N 2.59Å; S361-M364 PolarHBondContact O-N 3.28Å
362	P	90.4	Very high	94.9	Very high	11 Å²	11	21.9 Å²	21.9	7%	0.071	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	17.1	-178.3	40	-33.3	0	0	0	111.6	Y334 L370 W388	Y334-P362 HydrophobicContact CD1-CB 4.21Å; Y334-P362 HydrophobicContact CD1-CG 4.34Å; Y334-P362 HydrophobicContact CD2-CB 4.22Å; Y334-P362 HydrophobicContact CE1-CB 3.85Å; Y334-P362 HydrophobicContact CE1-CG 3.62Å; Y334-P362 HydrophobicContact CE2-CB 3.88Å; Y334-P362 HydrophobicContact CE2-CG 4.31Å; Y334-P362 HydrophobicContact CG-CB 4.4Å; Y334-P362 VanDerWaalsContact OH-CD 3.25Å; Y334-P362 WeakPolarHBondContact OH-CD 3.4Å; P362-L370 HydrophobicContact CB-CD1 3.69Å; P362-L370 HydrophobicContact CB-CG 4.23Å; P362-W388 PolarHBondContact O-NE1 2.77Å
363	L	87.5	Confident	94.8	Very high	45 Å²	45	22.5 Å²	22.5	24%	0.236	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-1.7	-176.2	-58.1	173.8	0	0	0	112.5	S361 T366 A367 L391	S361-L363 PolarHBondContact O-N 3.09Å; S361-L363 PolarHBondContact OG-N 2.59Å; L363-T366 VanDerWaalsContact C-C 3.42Å; L363-T366 CarbonylContact C-O 3.58Å; L363-T366 CarbonylContact O-C 3.59Å; L363-T366 WeakPolarHBondContact O-CA 3.36Å; L363-A367 HydrophobicContact CD2-CB 4.09Å; L363-A367 PolarHBondContact O-N 3.47Å; L363-L391 HydrophobicContact CD1-CD2 3.67Å; L363-L391 HydrophobicContact CD2-CD2 3.83Å; L363-L391 HydrophobicContact CG-CD2 4.27Å
364	M	91	Very high	94.9	Very high	61 Å²	61	22.5 Å²	22.5	30%	0.3	13%	0.131	S	C	.	.	S	Bend	trans	-123.6	141.1	-177.4	-68.7	-58.3	-68.7	0	0	110.7	E123 Y358 S361 T366 V369	E123-M364 VanDerWaalsContact CD-CB 3.5Å; E123-M364 HydrophobicContact CG-CB 3.88Å; E123-M364 WeakPolarHBondContact OE1-CB 3.49Å; E123-M364 WeakPolarHBondContact OE1-CG 3.47Å; Y358-M364 PolarHBondContact OH-O 3.47Å; S361-M364 PolarHBondContact O-N 3.28Å; M364-T366 PolarHBondContact N-O 3.15Å; M364-V369 WeakPolarHBondContact O-CB 3.47Å; M364-V369 WeakPolarHBondContact O-CG1 3.45Å; M364-V369 WeakPolarHBondContact O-CG2 3.49Å
365	P	90.4	Very high	94.8	Very high	95 Å²	95	25.2 Å²	25.2	62%	0.617	15%	0.145	S	C	*	.	S	Bend	cis	-70.7	-16.2	-0.8	30.4	-36.1	0	0	0	113
366	T	92.4	Very high	94.8	Very high	64 Å²	64	31.5 Å²	31.5	39%	0.393	17%	0.173	S	C	.	.			trans	-138.1	166	172.8	81.8	0	0	0	0	110.5	L363 M364 N368 V369	L363-T366 VanDerWaalsContact C-C 3.42Å; L363-T366 CarbonylContact C-O 3.58Å; L363-T366 CarbonylContact O-C 3.59Å; L363-T366 WeakPolarHBondContact O-CA 3.36Å; M364-T366 PolarHBondContact N-O 3.15Å; T366-N368 PolarHBondContact O-N 3.02Å; T366-N368 VanDerWaalsContact O-N 3.11Å; T366-N368 PolarHBondContact OG1-N 2.94Å; T366-V369 PolarHBondContact O-N 2.72Å
367	A	88.6	Confident	94.7	Very high	18 Å²	18	32.6 Å²	32.6	15%	0.149	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-7.1	172.4	0	0	0	0	0	114	L363 K395 L397	L363-A367 HydrophobicContact CD2-CB 4.09Å; L363-A367 PolarHBondContact O-N 3.47Å; A367-K395 HydrophobicContact CB-CD 4.14Å; A367-L397 HydrophobicContact CB-CD1 4.06Å; A367-L397 HydrophobicContact CB-CD2 3.68Å; A367-L397 HydrophobicContact CB-CG 4.5Å; A367-L397 VanDerWaalsContact O-CD2 3.29Å; A367-L397 WeakPolarHBondContact O-CD2 3.16Å
368	N	94.8	Very high	94.7	Very high	45 Å²	45	33.8 Å²	33.8	24%	0.241	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.4	175.3	-69.9	-50.7	0	0	0	114.2	T366 L370 W371 D372 L397	T366-N368 PolarHBondContact O-N 3.02Å; T366-N368 VanDerWaalsContact O-N 3.11Å; T366-N368 PolarHBondContact OG1-N 2.94Å; N368-L370 PolarHBondContact O-N 2.8Å; N368-W371 CarbonylContact O-C 3.05Å; N368-W371 WeakPolarHBondContact O-CA 3.45Å; N368-W371 WeakPolarHBondContact O-CB 3.4Å; N368-W371 PolarHBondContact O-N 2.84Å; N368-D372 PolarHBondContact O-N 3.42Å; N368-L397 WeakPolarHBondContact OD1-CD2 3.36Å
369	V	95.4	Very high	94.8	Very high	16 Å²	16	33.5 Å²	33.5	10%	0.097	19%	0.19	C	C	.	.	H	α-helix	trans	-50.1	-37.9	-170.8	65.6	0	0	0	0	114.6	Y358 M364 T366 D372 L373	Y358-V369 HydrophobicContact CE2-CG2 4.25Å; M364-V369 WeakPolarHBondContact O-CB 3.47Å; M364-V369 WeakPolarHBondContact O-CG1 3.45Å; M364-V369 WeakPolarHBondContact O-CG2 3.49Å; T366-V369 PolarHBondContact O-N 2.72Å; V369-D372 WeakPolarHBondContact CA-OD2 3.35Å; V369-D372 PolarHBondContact N-OD2 3.3Å; V369-L373 VanDerWaalsContact O-CG 3.31Å; V369-L373 WeakPolarHBondContact O-CG 3.31Å; V369-L373 PolarHBondContact O-N 3.32Å; V369-L373 VanDerWaalsContact O-N 3.08Å
370	L	96.6	Very high	94.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-76.9	-28.8	179.2	-66.1	-169.7	0	0	0	113.1	Y334 Y358 P362 N368 L373 T374 F382 W388	Y334-L370 HydrophobicContact CD2-CD1 4.12Å; Y334-L370 HydrophobicContact CG-CD1 4.05Å; Y358-L370 HydrophobicContact CD1-CD2 3.84Å; Y358-L370 HydrophobicContact CE1-CD2 3.93Å; Y358-L370 HydrophobicContact CG-CD2 4.14Å; P362-L370 HydrophobicContact CB-CD1 3.69Å; P362-L370 HydrophobicContact CB-CG 4.23Å; N368-L370 PolarHBondContact O-N 2.8Å; L370-L373 HydrophobicContact CD2-CD1 4.3Å; L370-T374 PolarHBondContact O-N 3.45Å; L370-T374 VanDerWaalsContact O-N 3.11Å; L370-T374 PolarHBondContact O-OG1 2.93Å; L370-F382 HydrophobicContact CB-CE2 3.76Å; L370-F382 HydrophobicContact CB-CZ 3.76Å; L370-F382 HydrophobicContact CD1-CE2 4.28Å; L370-F382 HydrophobicContact CD1-CZ 3.76Å; L370-F382 HydrophobicContact CG-CZ 4.37Å; L370-W388 HydrophobicContact CB-CH2 4.33Å; L370-W388 HydrophobicContact CB-CZ2 4.1Å; L370-W388 HydrophobicContact CD1-CH2 4.31Å; L370-W388 HydrophobicContact CD1-CZ2 3.8Å; L370-W388 HydrophobicContact CG-CZ2 4.33Å
371	W	97.6	Very high	95.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-75.3	-39.5	171.5	-55.7	119.9	0	0	0	111	N368 L373 T374 D375 F382 W388 P399 H403 L405 L408 I411 I430	N368-W371 CarbonylContact O-C 3.05Å; N368-W371 WeakPolarHBondContact O-CA 3.45Å; N368-W371 WeakPolarHBondContact O-CB 3.4Å; N368-W371 PolarHBondContact O-N 2.84Å; W371-L373 VanDerWaalsContact C-N 3.29Å; W371-L373 PolarHBondContact O-N 3.24Å; W371-T374 WeakPolarHBondContact O-CA 3.23Å; W371-T374 VanDerWaalsContact O-CB 3.27Å; W371-T374 WeakPolarHBondContact O-CB 3.33Å; W371-T374 PolarHBondContact O-N 3.01Å; W371-D375 PolarHBondContact O-N 3.4Å; W371-D375 VanDerWaalsContact O-N 3.13Å; W371-F382 HydrophobicContact CH2-CE1 4.44Å; W371-W388 AromaticContact CE2-CH2 3.63Å; W371-W388 HydrophobicContact CH2-CH2 4.32Å; W371-W388 HydrophobicContact CH2-CZ3 4.34Å; W371-W388 AromaticContact CZ2-CH2 3.52Å; W371-W388 HydrophobicContact CZ2-CH2 3.52Å; W371-W388 AromaticContact CZ2-CZ3 3.75Å; W371-W388 HydrophobicContact CZ2-CZ3 3.75Å; W371-W388 AromaticContact NE1-CH2 3.71Å; W371-P399 HydrophobicContact CD2-CB 3.97Å; W371-P399 HydrophobicContact CD2-CG 3.76Å; W371-P399 VanDerWaalsContact CE2-CG 3.46Å; W371-P399 HydrophobicContact CE3-CB 4.36Å; W371-P399 HydrophobicContact CG-CB 4.1Å; W371-P399 HydrophobicContact CG-CG 3.89Å; W371-P399 HydrophobicContact CZ2-CG 4.01Å; W371-H403 VanDerWaalsContact C-CD2 3.47Å; W371-H403 WeakPolarHBondContact CB-NE2 3.36Å; W371-H403 PolarHBondContact O-CD2 3.31Å; W371-L405 HydrophobicContact CE3-CD2 3.97Å; W371-L408 HydrophobicContact CZ3-CD2 4.12Å; W371-I411 HydrophobicContact CH2-CD1 4.33Å; W371-I430 HydrophobicContact CH2-CD1 3.78Å; W371-I430 HydrophobicContact CH2-CG1 4.27Å; W371-I430 HydrophobicContact CH2-CG2 3.62Å; W371-I430 HydrophobicContact CZ2-CD1 3.69Å; W371-I430 HydrophobicContact CZ2-CG1 4.2Å; W371-I430 HydrophobicContact CZ2-CG2 4.31Å; W371-I430 HydrophobicContact CZ3-CG2 3.82Å
372	D	96.9	Very high	95.5	Very high	72 Å²	72	33.4 Å²	33.4	39%	0.385	19%	0.189	S	C	.	.	H	α-helix	trans	-57.2	-44.9	173	-59.9	-38.3	0	0	0	110.4	N368 V369 T374 K376 H403	N368-D372 PolarHBondContact O-N 3.42Å; V369-D372 WeakPolarHBondContact CA-OD2 3.35Å; V369-D372 PolarHBondContact N-OD2 3.3Å; D372-T374 VanDerWaalsContact C-N 3.31Å; D372-T374 PolarHBondContact O-N 2.68Å; D372-K376 WeakPolarHBondContact O-CB 3.32Å; D372-K376 PolarHBondContact O-N 3.46Å; D372-H403 PolarHBondContact N-NE2 2.95Å; D372-H403 IonicContact OD1-CE1 3.93Å; D372-H403 IonicContact OD1-NE2 2.72Å; D372-H403 PolarHBondContact OD1-NE2 3.01Å; D372-H403 VanDerWaalsContact OD1-NE2 3.11Å
373	L	97.9	Very high	95.8	Very high	14 Å²	14	32.9 Å²	32.9	7%	0.073	19%	0.185	C	C	.	.	H	α-helix	trans	-65.5	-33.8	174.6	-73.3	173.4	0	0	0	112.7	A121 I128 Y358 V369 L370 W371 L377 I379	A121-L373 HydrophobicContact CB-CD1 4.01Å; A121-L373 HydrophobicContact CB-CD2 3.85Å; I128-L373 HydrophobicContact CD1-CD2 3.73Å; Y358-L373 HydrophobicContact CD2-CD1 3.66Å; Y358-L373 HydrophobicContact CE2-CD1 4.02Å; Y358-L373 HydrophobicContact CG-CD1 4.39Å; V369-L373 VanDerWaalsContact O-CG 3.31Å; V369-L373 WeakPolarHBondContact O-CG 3.31Å; V369-L373 PolarHBondContact O-N 3.32Å; V369-L373 VanDerWaalsContact O-N 3.08Å; L370-L373 HydrophobicContact CD2-CD1 4.3Å; W371-L373 VanDerWaalsContact C-N 3.29Å; W371-L373 PolarHBondContact O-N 3.24Å; L373-L377 HydrophobicContact CD2-CD1 4.3Å; L373-L377 WeakPolarHBondContact O-CB 3.24Å; L373-L377 PolarHBondContact O-N 3.11Å; L373-I379 HydrophobicContact CB-CD1 4.39Å
374	T	98.4	Very high	95.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-50.3	178.5	-64.1	0	0	0	0	110.8	L370 W371 D372 G378 I379 L405 L408	L370-T374 PolarHBondContact O-N 3.45Å; L370-T374 VanDerWaalsContact O-N 3.11Å; L370-T374 PolarHBondContact O-OG1 2.93Å; W371-T374 WeakPolarHBondContact O-CA 3.23Å; W371-T374 VanDerWaalsContact O-CB 3.27Å; W371-T374 WeakPolarHBondContact O-CB 3.33Å; W371-T374 PolarHBondContact O-N 3.01Å; D372-T374 VanDerWaalsContact C-N 3.31Å; D372-T374 PolarHBondContact O-N 2.68Å; T374-G378 WeakPolarHBondContact O-CA 3.16Å; T374-G378 PolarHBondContact O-N 3.12Å; T374-I379 HydrophobicContact CG2-CB 4.12Å; T374-I379 PolarHBondContact O-N 3.06Å; T374-L405 HydrophobicContact CG2-CD2 3.95Å; T374-L408 HydrophobicContact CG2-CB 4.19Å; T374-L408 HydrophobicContact CG2-CD1 4.47Å; T374-L408 HydrophobicContact CG2-CD2 4.39Å
375	D	98.2	Very high	95.3	Very high	57 Å²	57	29 Å²	29	31%	0.305	17%	0.172	S	C	.	.	H	α-helix	trans	-70.8	-44.5	178	-76.2	-0	0	0	0	111.8	W371 L377 G378 H403 D404 L405	W371-D375 PolarHBondContact O-N 3.4Å; W371-D375 VanDerWaalsContact O-N 3.13Å; D375-L377 VanDerWaalsContact C-N 3.31Å; D375-L377 PolarHBondContact O-N 3.04Å; D375-G378 PolarHBondContact O-N 3.36Å; D375-H403 WeakPolarHBondContact OD2-CA 3.39Å; D375-H403 VanDerWaalsContact OD2-CB 3.26Å; D375-H403 WeakPolarHBondContact OD2-CB 3.45Å; D375-H403 IonicContact OD2-CD2 3.58Å; D375-H403 IonicContact OD2-CG 3.3Å; D375-D404 PolarHBondContact OD2-N 2.86Å; D375-L405 VanDerWaalsContact OD1-CA 3.32Å; D375-L405 WeakPolarHBondContact OD1-CA 3.39Å; D375-L405 PolarHBondContact OD1-N 3.32Å
376	K	97.7	Very high	94.5	Very high	133 Å²	133	24.7 Å²	24.7	58%	0.578	14%	0.144	S	C	*	.	H	α-helix	trans	-62.8	-34.4	-176.4	-176.8	172.2	177	-175.8	0	113.3	E126 I128 D372	E126-K376 PolarHBondContact O-NZ 3.04Å; I128-K376 HydrophobicContact CD1-CD 3.71Å; I128-K376 HydrophobicContact CD1-CG 4.22Å; D372-K376 WeakPolarHBondContact O-CB 3.32Å; D372-K376 PolarHBondContact O-N 3.46Å
377	L	98.2	Very high	93.6	Very high	22 Å²	22	24.4 Å²	24.4	12%	0.115	14%	0.137	C	C	.	.	H	α-helix	trans	-104.6	-4.3	-177.3	-61	-179.2	0	0	0	113.6	Y119 I128 V356 L373 D375 I379	Y119-L377 HydrophobicContact CD1-CD1 4.44Å; Y119-L377 HydrophobicContact CD1-CD2 3.71Å; Y119-L377 HydrophobicContact CE1-CD2 4.04Å; Y119-L377 HydrophobicContact CG-CD1 4.17Å; Y119-L377 HydrophobicContact CG-CD2 4.25Å; I128-L377 HydrophobicContact CD1-CD1 4.16Å; I128-L377 HydrophobicContact CD1-CD2 3.69Å; I128-L377 HydrophobicContact CD1-CG 4.02Å; I128-L377 HydrophobicContact CG2-CD1 4.49Å; I128-L377 HydrophobicContact CG2-CD2 4.2Å; V356-L377 HydrophobicContact CG1-CD1 3.76Å; V356-L377 HydrophobicContact CG2-CD1 3.94Å; L373-L377 HydrophobicContact CD2-CD1 4.3Å; L373-L377 WeakPolarHBondContact O-CB 3.24Å; L373-L377 PolarHBondContact O-N 3.11Å; D375-L377 VanDerWaalsContact C-N 3.31Å; D375-L377 PolarHBondContact O-N 3.04Å; L377-I379 HydrophobicContact CB-CG1 4.05Å
378	G	98.3	Very high	93.2	Very high	26 Å²	26	24.4 Å²	24.4	27%	0.268	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	42.1	-175	0	0	0	0	0	112.1	T374 D375 T380 S407	T374-G378 WeakPolarHBondContact O-CA 3.16Å; T374-G378 PolarHBondContact O-N 3.12Å; D375-G378 PolarHBondContact O-N 3.36Å; G378-T380 PolarHBondContact O-N 2.88Å; G378-S407 VanDerWaalsContact C-OG 3.24Å; G378-S407 WeakPolarHBondContact CA-OG 3.05Å
379	I	98.8	Very high	92.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.122	C	C	.	.			trans	-60.8	129.1	179.7	-60	-178.4	0	0	0	109	V330 I332 V356 L373 T374 L377 I381 S407 L408	V330-I379 HydrophobicContact CG1-CG1 4.23Å; I332-I379 HydrophobicContact CB-CD1 4.1Å; I332-I379 HydrophobicContact CB-CG2 4.48Å; I332-I379 HydrophobicContact CD1-CD1 4.38Å; I332-I379 HydrophobicContact CG2-CD1 3.85Å; I332-I379 HydrophobicContact CG2-CG2 3.76Å; V356-I379 HydrophobicContact CG2-CD1 4.08Å; V356-I379 HydrophobicContact CG2-CG1 4.15Å; L373-I379 HydrophobicContact CB-CD1 4.39Å; T374-I379 HydrophobicContact CG2-CB 4.12Å; T374-I379 PolarHBondContact O-N 3.06Å; L377-I379 HydrophobicContact CB-CG1 4.05Å; I379-I381 VanDerWaalsContact CG2-O 3.28Å; I379-I381 WeakPolarHBondContact CG2-O 3.33Å; I379-S407 CarbonylContact O-C 3.4Å; I379-S407 WeakPolarHBondContact O-CB 3.29Å; I379-S407 PolarHBondContact O-OG 2.75Å; I379-L408 WeakPolarHBondContact O-CA 3.33Å; I379-L408 PolarHBondContact O-N 3.09Å
380	T	98.8	Very high	91.3	Very high	18 Å²	18	22 Å²	22	11%	0.11	12%	0.121	C	C	.	.	S	Bend	trans	-100.1	-32.6	-178.1	64.5	0	0	0	0	112	D329 V330 G378 S407 H409 T410	D329-T380 WeakPolarHBondContact CA-OG1 3.39Å; D329-T380 WeakPolarHBondContact CB-OG1 3.23Å; D329-T380 WeakPolarHBondContact OD1-CB 3.46Å; D329-T380 PolarHBondContact OD1-OG1 3.21Å; V330-T380 PolarHBondContact N-OG1 3.38Å; V330-T380 VanDerWaalsContact N-OG1 3.12Å; V330-T380 PolarHBondContact O-N 2.83Å; V330-T380 PolarHBondContact O-OG1 3.47Å; G378-T380 PolarHBondContact O-N 2.88Å; T380-S407 WeakPolarHBondContact CA-O 3.44Å; T380-H409 WeakPolarHBondContact CB-NE2 3.37Å; T380-H409 PolarHBondContact O-N 2.91Å; T380-T410 PolarHBondContact O-N 2.79Å
381	I	98.8	Very high	90.3	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	120.9	176.9	-53.7	-172.3	0	0	0	110.5	L325 V330 I331 I332 I379 H409 T410 L412	L325-I381 HydrophobicContact CD1-CD1 3.51Å; L325-I381 HydrophobicContact CD1-CG1 4.49Å; V330-I381 PolarHBondContact O-N 3.16Å; I331-I381 WeakPolarHBondContact CA-O 3.26Å; I331-I381 HydrophobicContact CB-CB 4.24Å; I331-I381 HydrophobicContact CD1-CB 4.15Å; I331-I381 HydrophobicContact CD1-CG2 3.89Å; I331-I381 HydrophobicContact CG1-CB 3.92Å; I331-I381 HydrophobicContact CG1-CG2 4.01Å; I332-I381 PolarHBondContact N-O 2.8Å; I379-I381 VanDerWaalsContact CG2-O 3.28Å; I379-I381 WeakPolarHBondContact CG2-O 3.33Å; I381-H409 VanDerWaalsContact CG1-CE1 3.49Å; I381-H409 WeakPolarHBondContact CG1-CE1 3.43Å; I381-T410 WeakPolarHBondContact CA-O 3.37Å; I381-T410 HydrophobicContact CG2-CG2 4.18Å; I381-L412 HydrophobicContact CG2-CD1 3.97Å; I381-L412 HydrophobicContact CG2-CG 4.23Å
382	F	98.7	Very high	89.6	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	106.1	-178.3	-175.3	-88.8	0	0	0	112.1	I332 L370 W371 T384 W388 L408 T410 I411 L412	I332-F382 HydrophobicContact CG2-CB 4.3Å; I332-F382 HydrophobicContact CG2-CD2 3.37Å; I332-F382 HydrophobicContact CG2-CE2 3.9Å; I332-F382 HydrophobicContact CG2-CG 4.1Å; L370-F382 HydrophobicContact CB-CE2 3.76Å; L370-F382 HydrophobicContact CB-CZ 3.76Å; L370-F382 HydrophobicContact CD1-CE2 4.28Å; L370-F382 HydrophobicContact CD1-CZ 3.76Å; L370-F382 HydrophobicContact CG-CZ 4.37Å; W371-F382 HydrophobicContact CH2-CE1 4.44Å; F382-T384 HydrophobicContact CD1-CG2 4.38Å; F382-T384 HydrophobicContact CE1-CG2 3.93Å; F382-W388 HydrophobicContact CE1-CE3 4.34Å; F382-W388 AromaticContact CE1-CH2 3.86Å; F382-W388 HydrophobicContact CE1-CH2 3.86Å; F382-W388 AromaticContact CE1-CZ3 3.53Å; F382-W388 HydrophobicContact CE1-CZ3 3.53Å; F382-W388 AromaticContact CZ-CH2 3.73Å; F382-W388 HydrophobicContact CZ-CH2 3.73Å; F382-W388 AromaticContact CZ-CZ3 3.88Å; F382-W388 HydrophobicContact CZ-CZ3 3.88Å; F382-L408 HydrophobicContact CB-CD1 3.56Å; F382-T410 PolarHBondContact N-O 2.94Å; F382-I411 HydrophobicContact CB-CG1 4.37Å; F382-I411 CarbonylContact O-C 3.46Å; F382-I411 VanDerWaalsContact O-CA 3.25Å; F382-I411 WeakPolarHBondContact O-CA 3.17Å; F382-L412 PolarHBondContact O-N 2.78Å
383	G	97.4	Very high	88.9	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	136.9	176.3	0	0	0	0	0	113.5	I332 Y333 Y334 L412	I332-G383 PolarHBondContact O-N 3.33Å; Y333-G383 CarbonylContact C-O 3.45Å; Y333-G383 WeakPolarHBondContact CA-O 3.33Å; Y334-G383 PolarHBondContact N-O 3.09Å; G383-L412 WeakPolarHBondContact CA-O 3.47Å
384	T	88.4	Confident	87.9	Confident	1 Å²	1	29 Å²	29	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	-179	179	-168.5	0	0	0	0	112.1	Y333 F382 W388 L389 L412 S413 T414	Y333-T384 PolarHBondContact OH-O 2.89Å; Y333-T384 VanDerWaalsContact OH-O 3.1Å; F382-T384 HydrophobicContact CD1-CG2 4.38Å; F382-T384 HydrophobicContact CE1-CG2 3.93Å; T384-W388 HydrophobicContact CG2-CE3 3.74Å; T384-W388 HydrophobicContact CG2-CZ3 4.13Å; T384-L389 HydrophobicContact CG2-CD1 4.13Å; T384-L389 HydrophobicContact CG2-CD2 4.09Å; T384-L389 HydrophobicContact CG2-CG 3.82Å; T384-L412 PolarHBondContact N-O 2.85Å; T384-S413 WeakPolarHBondContact O-CA 3.4Å; T384-T414 PolarHBondContact O-N 3.14Å; T384-T414 VanDerWaalsContact O-N 3.15Å
385	G	78.9	Confident	87.1	Confident	25 Å²	25	34.4 Å²	34.4	26%	0.258	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	147.6	171	0	0	0	0	0	111.8	K387 W388 L389 T414	G385-K387 PolarHBondContact O-N 3.26Å; G385-W388 PolarHBondContact O-N 2.72Å; G385-W388 VanDerWaalsContact O-N 3.08Å; G385-L389 PolarHBondContact O-N 3.5Å; G385-T414 WeakPolarHBondContact CA-O 3.46Å
386	A	73.5	Confident	86.7	Confident	3 Å²	3	37.2 Å²	37.2	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-57.8	-36.9	178.1	0	0	0	0	0	112.6	W388 L389 S390 S413 T414 S416 L418	A386-W388 VanDerWaalsContact C-N 3.29Å; A386-W388 PolarHBondContact O-N 3.44Å; A386-L389 WeakPolarHBondContact O-CB 3.47Å; A386-L389 PolarHBondContact O-N 3.3Å; A386-S390 PolarHBondContact O-N 2.69Å; A386-S390 VanDerWaalsContact O-N 3.08Å; A386-S390 PolarHBondContact O-OG 3.34Å; A386-S413 VanDerWaalsContact CA-OG 3.29Å; A386-S413 WeakPolarHBondContact CA-OG 3.38Å; A386-S413 WeakPolarHBondContact CB-OG 3.32Å; A386-S413 PolarHBondContact N-OG 2.99Å; A386-T414 PolarHBondContact N-O 2.98Å; A386-S416 WeakPolarHBondContact CB-O 3.41Å; A386-L418 HydrophobicContact CB-CB 4.34Å; A386-L418 HydrophobicContact CB-CD1 3.8Å
387	K	73.4	Confident	86.5	Confident	59 Å²	59	31.9 Å²	31.9	26%	0.257	17%	0.169	S	C	.	.	H	α-helix	trans	-62	-35.2	177	-174.8	56.4	173.3	173.1	0	113.2	G385 S390 L391 E394 N551 E584	G385-K387 PolarHBondContact O-N 3.26Å; K387-S390 PolarHBondContact O-N 3.42Å; K387-L391 WeakPolarHBondContact O-CB 3.4Å; K387-L391 PolarHBondContact O-N 3.02Å; K387-E394 IonicContact NZ-OE1 2.94Å; K387-N551 HydrophobicContact CB-CB 4.38Å; K387-N551 WeakPolarHBondContact CE-OD1 3.41Å; K387-N551 HydrophobicContact CG-CB 4.12Å; K387-E584 IonicContact NZ-OE1 3.99Å
388	W	80.1	Confident	86.5	Confident	17 Å²	17	34.4 Å²	34.4	6%	0.064	18%	0.179	C	C	.	.	H	α-helix	trans	-67.3	-41.3	177.2	179.9	82.7	0	0	0	111.1	P362 L370 W371 F382 T384 G385 A386 S390 L391 V392	P362-W388 PolarHBondContact O-NE1 2.77Å; L370-W388 HydrophobicContact CB-CH2 4.33Å; L370-W388 HydrophobicContact CB-CZ2 4.1Å; L370-W388 HydrophobicContact CD1-CH2 4.31Å; L370-W388 HydrophobicContact CD1-CZ2 3.8Å; L370-W388 HydrophobicContact CG-CZ2 4.33Å; W371-W388 AromaticContact CE2-CH2 3.63Å; W371-W388 HydrophobicContact CH2-CH2 4.32Å; W371-W388 HydrophobicContact CH2-CZ3 4.34Å; W371-W388 AromaticContact CZ2-CH2 3.52Å; W371-W388 HydrophobicContact CZ2-CH2 3.52Å; W371-W388 AromaticContact CZ2-CZ3 3.75Å; W371-W388 HydrophobicContact CZ2-CZ3 3.75Å; W371-W388 AromaticContact NE1-CH2 3.71Å; F382-W388 HydrophobicContact CE1-CE3 4.34Å; F382-W388 AromaticContact CE1-CH2 3.86Å; F382-W388 HydrophobicContact CE1-CH2 3.86Å; F382-W388 AromaticContact CE1-CZ3 3.53Å; F382-W388 HydrophobicContact CE1-CZ3 3.53Å; F382-W388 AromaticContact CZ-CH2 3.73Å; F382-W388 HydrophobicContact CZ-CH2 3.73Å; F382-W388 AromaticContact CZ-CZ3 3.88Å; F382-W388 HydrophobicContact CZ-CZ3 3.88Å; T384-W388 HydrophobicContact CG2-CE3 3.74Å; T384-W388 HydrophobicContact CG2-CZ3 4.13Å; G385-W388 PolarHBondContact O-N 2.72Å; G385-W388 VanDerWaalsContact O-N 3.08Å; A386-W388 VanDerWaalsContact C-N 3.29Å; A386-W388 PolarHBondContact O-N 3.44Å; W388-S390 VanDerWaalsContact C-N 3.33Å; W388-S390 PolarHBondContact O-N 3.15Å; W388-L391 WeakPolarHBondContact O-CB 3.31Å; W388-L391 PolarHBondContact O-N 3.35Å; W388-L391 VanDerWaalsContact O-N 3.16Å; W388-V392 HydrophobicContact CD2-CG1 4.11Å; W388-V392 HydrophobicContact CH2-CG1 4.31Å; W388-V392 HydrophobicContact CZ2-CG1 3.78Å; W388-V392 WeakPolarHBondContact O-CG2 3.12Å; W388-V392 PolarHBondContact O-N 3.35Å
389	L	78.3	Confident	86.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.9	-43.2	173.5	-69.8	173.2	0	0	0	111.9	T384 G385 A386 V392 Q393 L418 V426 I430	T384-L389 HydrophobicContact CG2-CD1 4.13Å; T384-L389 HydrophobicContact CG2-CD2 4.09Å; T384-L389 HydrophobicContact CG2-CG 3.82Å; G385-L389 PolarHBondContact O-N 3.5Å; A386-L389 WeakPolarHBondContact O-CB 3.47Å; A386-L389 PolarHBondContact O-N 3.3Å; L389-V392 WeakPolarHBondContact O-CG2 3.49Å; L389-Q393 WeakPolarHBondContact O-CB 3.36Å; L389-Q393 PolarHBondContact O-N 3.23Å; L389-L418 HydrophobicContact CD1-CD1 3.88Å; L389-V426 HydrophobicContact CD1-CG2 4.45Å; L389-V426 HydrophobicContact CD2-CG2 4.3Å; L389-I430 HydrophobicContact CD2-CD1 4.3Å
390	S	72.6	Confident	86.3	Confident	11 Å²	11	35.8 Å²	35.8	8%	0.077	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-41.8	174.6	-52.4	0	0	0	0	112	A386 K387 W388 Q393 E394	A386-S390 PolarHBondContact O-N 2.69Å; A386-S390 VanDerWaalsContact O-N 3.08Å; A386-S390 PolarHBondContact O-OG 3.34Å; K387-S390 PolarHBondContact O-N 3.42Å; W388-S390 VanDerWaalsContact C-N 3.33Å; W388-S390 PolarHBondContact O-N 3.15Å; S390-Q393 WeakPolarHBondContact O-CB 3.32Å; S390-Q393 PolarHBondContact O-N 2.61Å; S390-E394 VanDerWaalsContact O-CG 3.32Å; S390-E394 WeakPolarHBondContact O-CG 3.48Å; S390-E394 PolarHBondContact O-N 3.43Å
391	L	75.5	Confident	86.2	Confident	49 Å²	49	41.6 Å²	41.6	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-64.3	-42.8	179.5	-179.1	68.4	0	0	0	112.6	L363 K387 W388 Q393 E394 K395	L363-L391 HydrophobicContact CD1-CD2 3.67Å; L363-L391 HydrophobicContact CD2-CD2 3.83Å; L363-L391 HydrophobicContact CG-CD2 4.27Å; K387-L391 WeakPolarHBondContact O-CB 3.4Å; K387-L391 PolarHBondContact O-N 3.02Å; W388-L391 WeakPolarHBondContact O-CB 3.31Å; W388-L391 PolarHBondContact O-N 3.35Å; W388-L391 VanDerWaalsContact O-N 3.16Å; L391-Q393 VanDerWaalsContact C-N 3.31Å; L391-E394 PolarHBondContact O-N 3.26Å; L391-K395 WeakPolarHBondContact O-CG 3.13Å; L391-K395 PolarHBondContact O-N 2.89Å
392	V	83.1	Confident	86.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.8	-32	177.2	-60.9	0	0	0	0	111.6	W388 L389 K395 N396 L397 Y425	W388-V392 HydrophobicContact CD2-CG1 4.11Å; W388-V392 HydrophobicContact CH2-CG1 4.31Å; W388-V392 HydrophobicContact CZ2-CG1 3.78Å; W388-V392 WeakPolarHBondContact O-CG2 3.12Å; W388-V392 PolarHBondContact O-N 3.35Å; L389-V392 WeakPolarHBondContact O-CG2 3.49Å; V392-K395 PolarHBondContact O-N 3.45Å; V392-N396 PolarHBondContact O-N 3.46Å; V392-L397 HydrophobicContact CB-CB 4.34Å; V392-L397 HydrophobicContact CB-CD2 4.21Å; V392-L397 HydrophobicContact CG1-CD2 4.25Å; V392-L397 PolarHBondContact O-N 2.79Å; V392-Y425 HydrophobicContact CG2-CE1 3.88Å
393	Q	82.7	Confident	86.1	Confident	58 Å²	58	46 Å²	46	27%	0.271	24%	0.238	S	C	.	.	H	α-helix	trans	-63.3	-47.2	170.1	177	-178.7	-14	0	0	111.8	L389 S390 L391 K395 N396 Y425	L389-Q393 WeakPolarHBondContact O-CB 3.36Å; L389-Q393 PolarHBondContact O-N 3.23Å; S390-Q393 WeakPolarHBondContact O-CB 3.32Å; S390-Q393 PolarHBondContact O-N 2.61Å; L391-Q393 VanDerWaalsContact C-N 3.31Å; Q393-K395 PolarHBondContact O-N 3.26Å; Q393-N396 WeakPolarHBondContact O-CA 3.4Å; Q393-N396 PolarHBondContact O-N 3.22Å; Q393-Y425 HydrophobicContact CB-CD1 3.81Å; Q393-Y425 HydrophobicContact CB-CD2 3.85Å; Q393-Y425 HydrophobicContact CB-CE1 3.93Å; Q393-Y425 HydrophobicContact CB-CE2 3.96Å; Q393-Y425 HydrophobicContact CB-CG 3.77Å; Q393-Y425 HydrophobicContact CG-CD1 4.31Å; Q393-Y425 HydrophobicContact CG-CD2 3.68Å; Q393-Y425 HydrophobicContact CG-CE2 4.18Å; Q393-Y425 HydrophobicContact CG-CG 3.75Å
394	E	76.1	Confident	86	Confident	125 Å²	125	50.4 Å²	50.4	58%	0.584	26%	0.262	S	S	*	.	H	α-helix	trans	-59.8	-36.3	176.4	-74.2	165.2	-157.6	0	0	111.9	K387 S390 L391 N396	K387-E394 IonicContact NZ-OE1 2.94Å; S390-E394 VanDerWaalsContact O-CG 3.32Å; S390-E394 WeakPolarHBondContact O-CG 3.48Å; S390-E394 PolarHBondContact O-N 3.43Å; L391-E394 PolarHBondContact O-N 3.26Å; E394-N396 PolarHBondContact O-N 3.18Å
395	K	82.7	Confident	86.5	Confident	114 Å²	114	50.6 Å²	50.6	50%	0.496	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	1.6	173.3	-73.1	179.5	175.1	-68.1	0	113.9	A367 L391 V392 Q393 L397	A367-K395 HydrophobicContact CB-CD 4.14Å; L391-K395 WeakPolarHBondContact O-CG 3.13Å; L391-K395 PolarHBondContact O-N 2.89Å; V392-K395 PolarHBondContact O-N 3.45Å; Q393-K395 PolarHBondContact O-N 3.26Å; K395-L397 HydrophobicContact CB-CD1 3.44Å; K395-L397 VanDerWaalsContact CB-CD1 3.44Å; K395-L397 PolarHBondContact O-N 3.28Å
396	N	88.9	Confident	87.3	Confident	116 Å²	116	56.3 Å²	56.3	62%	0.62	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	35.1	-179.9	-163.7	36.6	0	0	0	113.5	V392 Q393 E394	V392-N396 PolarHBondContact O-N 3.46Å; Q393-N396 WeakPolarHBondContact O-CA 3.4Å; Q393-N396 PolarHBondContact O-N 3.22Å; E394-N396 PolarHBondContact O-N 3.18Å
397	L	93.8	Very high	88.5	Confident	22 Å²	22	58 Å²	58	12%	0.115	30%	0.295	C	S	.	.			trans	-68.6	139.6	173.6	-89.8	67.9	0	0	0	109.6	A367 N368 V392 K395 Y425	A367-L397 HydrophobicContact CB-CD1 4.06Å; A367-L397 HydrophobicContact CB-CD2 3.68Å; A367-L397 HydrophobicContact CB-CG 4.5Å; A367-L397 VanDerWaalsContact O-CD2 3.29Å; A367-L397 WeakPolarHBondContact O-CD2 3.16Å; N368-L397 WeakPolarHBondContact OD1-CD2 3.36Å; V392-L397 HydrophobicContact CB-CB 4.34Å; V392-L397 HydrophobicContact CB-CD2 4.21Å; V392-L397 HydrophobicContact CG1-CD2 4.25Å; V392-L397 PolarHBondContact O-N 2.79Å; K395-L397 HydrophobicContact CB-CD1 3.44Å; K395-L397 VanDerWaalsContact CB-CD1 3.44Å; K395-L397 PolarHBondContact O-N 3.28Å; L397-Y425 VanDerWaalsContact O-CE2 3.28Å; L397-Y425 WeakPolarHBondContact O-CE2 3.42Å; L397-Y425 PolarHBondContact O-OH 2.94Å
398	K	96.9	Very high	89.7	Confident	74 Å²	74	55.2 Å²	55.2	32%	0.322	28%	0.282	S	S	.	.			trans	-130.2	76.9	174.6	-58.8	-174.4	-172.2	174.1	0	110.9	S400 E401 S402 C429	K398-S400 PolarHBondContact O-N 3.27Å; K398-E401 HydrophobicContact CB-CB 4.33Å; K398-E401 HydrophobicContact CB-CG 4.23Å; K398-E401 HydrophobicContact CD-CG 4.32Å; K398-E401 WeakPolarHBondContact CD-OE1 3.49Å; K398-E401 WeakPolarHBondContact CD-OE2 3.49Å; K398-E401 IonicContact NZ-OE1 2.85Å; K398-E401 PolarHBondContact NZ-OE1 3.24Å; K398-E401 IonicContact NZ-OE2 3.47Å; K398-E401 PolarHBondContact NZ-OE2 3.29Å; K398-E401 PolarHBondContact O-N 3.13Å; K398-S402 PolarHBondContact O-N 2.87Å; K398-S402 PolarHBondContact O-OG 2.88Å; K398-C429 CarbonylContact C-O 3.57Å; K398-C429 WeakPolarHBondContact CA-O 3.48Å; K398-C429 HydrophobicContact CG-CB 4.3Å
399	P	96.6	Very high	90.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-51.8	-30.8	179.1	-30.3	39.1	0	0	0	113.8	W371 E401 S402 H403 L405 C429 I430	W371-P399 HydrophobicContact CD2-CB 3.97Å; W371-P399 HydrophobicContact CD2-CG 3.76Å; W371-P399 VanDerWaalsContact CE2-CG 3.46Å; W371-P399 HydrophobicContact CE3-CB 4.36Å; W371-P399 HydrophobicContact CG-CB 4.1Å; W371-P399 HydrophobicContact CG-CG 3.89Å; W371-P399 HydrophobicContact CZ2-CG 4.01Å; P399-E401 PolarHBondContact O-N 3.15Å; P399-E401 VanDerWaalsContact O-N 3.15Å; P399-S402 PolarHBondContact O-N 3.12Å; P399-H403 WeakPolarHBondContact O-CB 3.45Å; P399-H403 PolarHBondContact O-N 2.72Å; P399-L405 HydrophobicContact CB-CD1 3.89Å; P399-C429 VanDerWaalsContact CD-O 3.25Å; P399-C429 WeakPolarHBondContact CD-O 3.42Å; P399-C429 VanDerWaalsContact N-O 3.16Å; P399-I430 HydrophobicContact CB-CG1 4.47Å; P399-I430 HydrophobicContact CB-CG2 4.47Å; P399-I430 HydrophobicContact CG-CG1 4.01Å
400	S	97	Very high	91.5	Very high	56 Å²	56	58.1 Å²	58.1	39%	0.392	30%	0.297	S	S	.	.	H	α-helix	trans	-61.9	-20	175.4	64.4	0	0	0	0	115.1	K398 C429 I430	K398-S400 PolarHBondContact O-N 3.27Å; S400-C429 WeakPolarHBondContact CB-O 3.23Å; S400-C429 PolarHBondContact N-O 2.84Å; S400-C429 PolarHBondContact OG-O 3.34Å; S400-C429 VanDerWaalsContact OG-O 3.06Å; S400-I430 WeakPolarHBondContact CB-O 3.37Å
401	E	97.1	Very high	92.7	Very high	140 Å²	140	57.6 Å²	57.6	65%	0.654	29%	0.293	S	S	*	.	H	α-helix	trans	-100.5	-18.4	178.7	-64.3	177.2	-167	0	0	112	K398 P399	K398-E401 HydrophobicContact CB-CB 4.33Å; K398-E401 HydrophobicContact CB-CG 4.23Å; K398-E401 HydrophobicContact CD-CG 4.32Å; K398-E401 WeakPolarHBondContact CD-OE1 3.49Å; K398-E401 WeakPolarHBondContact CD-OE2 3.49Å; K398-E401 IonicContact NZ-OE1 2.85Å; K398-E401 PolarHBondContact NZ-OE1 3.24Å; K398-E401 IonicContact NZ-OE2 3.47Å; K398-E401 PolarHBondContact NZ-OE2 3.29Å; K398-E401 PolarHBondContact O-N 3.13Å; P399-E401 PolarHBondContact O-N 3.15Å; P399-E401 VanDerWaalsContact O-N 3.15Å
402	S	96.4	Very high	93.8	Very high	69 Å²	69	55.4 Å²	55.4	48%	0.483	28%	0.282	S	S	.	.	H	α-helix	trans	-114.2	-15.3	-173.6	53.8	0	0	0	0	115.2	K398 P399	K398-S402 PolarHBondContact O-N 2.87Å; K398-S402 PolarHBondContact O-OG 2.88Å; P399-S402 PolarHBondContact O-N 3.12Å
403	H	97.9	Very high	93.9	Very high	26 Å²	26	55.4 Å²	55.4	12%	0.12	28%	0.282	C	S	.	.			trans	-134.2	158	-174.4	-63.2	77.6	0	0	0	110.4	W371 D372 D375 P399 L405	W371-H403 VanDerWaalsContact C-CD2 3.47Å; W371-H403 WeakPolarHBondContact CB-NE2 3.36Å; W371-H403 PolarHBondContact O-CD2 3.31Å; D372-H403 PolarHBondContact N-NE2 2.95Å; D372-H403 IonicContact OD1-CE1 3.93Å; D372-H403 IonicContact OD1-NE2 2.72Å; D372-H403 PolarHBondContact OD1-NE2 3.01Å; D372-H403 VanDerWaalsContact OD1-NE2 3.11Å; D375-H403 WeakPolarHBondContact OD2-CA 3.39Å; D375-H403 VanDerWaalsContact OD2-CB 3.26Å; D375-H403 WeakPolarHBondContact OD2-CB 3.45Å; D375-H403 IonicContact OD2-CD2 3.58Å; D375-H403 IonicContact OD2-CG 3.3Å; P399-H403 WeakPolarHBondContact O-CB 3.45Å; P399-H403 PolarHBondContact O-N 2.72Å; H403-L405 HydrophobicContact CB-CD1 4.5Å; H403-L405 HydrophobicContact CB-CD2 3.76Å; H403-L405 HydrophobicContact CB-CG 3.78Å
404	D	96.7	Very high	94	Very high	94 Å²	94	53.7 Å²	53.7	50%	0.503	28%	0.275	S	S	.	.			trans	-81.7	-42.1	179.3	-173.5	36	0	0	0	111.3	D375 Q406	D375-D404 PolarHBondContact OD2-N 2.86Å; D404-Q406 VanDerWaalsContact CG-CG 3.45Å; D404-Q406 VanDerWaalsContact CG-NE2 3.28Å; D404-Q406 PolarHBondContact O-N 3.39Å; D404-Q406 VanDerWaalsContact OD1-CD 3.29Å; D404-Q406 VanDerWaalsContact OD1-CG 3.24Å; D404-Q406 WeakPolarHBondContact OD1-CG 3.44Å; D404-Q406 PolarHBondContact OD1-NE2 3.05Å; D404-Q406 WeakPolarHBondContact OD2-CB 3.48Å; D404-Q406 WeakPolarHBondContact OD2-CG 3.34Å; D404-Q406 PolarHBondContact OD2-NE2 3.31Å
405	L	97.8	Very high	93.7	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	27%	0.265	C	S	.	.			trans	52.8	19.1	178	-52.3	177.1	0	0	0	113.6	W371 T374 D375 P399 H403 S407 L408 I430 K431	W371-L405 HydrophobicContact CE3-CD2 3.97Å; T374-L405 HydrophobicContact CG2-CD2 3.95Å; D375-L405 VanDerWaalsContact OD1-CA 3.32Å; D375-L405 WeakPolarHBondContact OD1-CA 3.39Å; D375-L405 PolarHBondContact OD1-N 3.32Å; P399-L405 HydrophobicContact CB-CD1 3.89Å; H403-L405 HydrophobicContact CB-CD1 4.5Å; H403-L405 HydrophobicContact CB-CD2 3.76Å; H403-L405 HydrophobicContact CB-CG 3.78Å; L405-S407 VanDerWaalsContact C-N 3.34Å; L405-S407 PolarHBondContact O-N 3Å; L405-L408 HydrophobicContact CB-CB 4.45Å; L405-L408 WeakPolarHBondContact O-CB 3.28Å; L405-L408 PolarHBondContact O-N 2.95Å; L405-L408 VanDerWaalsContact O-N 3.12Å; L405-I430 HydrophobicContact CD1-CG2 4.08Å; L405-I430 WeakPolarHBondContact CD1-O 3.28Å; L405-K431 HydrophobicContact CB-CD 4.35Å; L405-K431 PolarHBondContact O-NZ 2.97Å
406	Q	97	Very high	92.9	Very high	145 Å²	145	45.4 Å²	45.4	68%	0.678	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-44.6	-170.7	-88.8	177.3	34.1	0	0	112.3	D404 L408 K431	D404-Q406 VanDerWaalsContact CG-CG 3.45Å; D404-Q406 VanDerWaalsContact CG-NE2 3.28Å; D404-Q406 PolarHBondContact O-N 3.39Å; D404-Q406 VanDerWaalsContact OD1-CD 3.29Å; D404-Q406 VanDerWaalsContact OD1-CG 3.24Å; D404-Q406 WeakPolarHBondContact OD1-CG 3.44Å; D404-Q406 PolarHBondContact OD1-NE2 3.05Å; D404-Q406 WeakPolarHBondContact OD2-CB 3.48Å; D404-Q406 WeakPolarHBondContact OD2-CG 3.34Å; D404-Q406 PolarHBondContact OD2-NE2 3.31Å; Q406-L408 VanDerWaalsContact C-N 3.28Å; Q406-L408 PolarHBondContact O-N 3.23Å; Q406-K431 PolarHBondContact O-NZ 2.96Å; Q406-K431 VanDerWaalsContact O-NZ 3.08Å
407	S	98.1	Very high	91.9	Very high	39 Å²	39	43 Å²	43	27%	0.273	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-30.1	179.3	56	0	0	0	0	113.3	G378 I379 T380 L405 H409	G378-S407 VanDerWaalsContact C-OG 3.24Å; G378-S407 WeakPolarHBondContact CA-OG 3.05Å; I379-S407 CarbonylContact O-C 3.4Å; I379-S407 WeakPolarHBondContact O-CB 3.29Å; I379-S407 PolarHBondContact O-OG 2.75Å; T380-S407 WeakPolarHBondContact CA-O 3.44Å; L405-S407 VanDerWaalsContact C-N 3.34Å; L405-S407 PolarHBondContact O-N 3Å; S407-H409 PolarHBondContact O-N 2.89Å
408	L	98.6	Very high	91	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.239	C	C	.	.			trans	-69.9	115	-172.8	-175.1	67.3	0	0	0	111.2	W371 T374 I379 F382 L405 Q406 T410 I411 K431 V434	W371-L408 HydrophobicContact CZ3-CD2 4.12Å; T374-L408 HydrophobicContact CG2-CB 4.19Å; T374-L408 HydrophobicContact CG2-CD1 4.47Å; T374-L408 HydrophobicContact CG2-CD2 4.39Å; I379-L408 WeakPolarHBondContact O-CA 3.33Å; I379-L408 PolarHBondContact O-N 3.09Å; F382-L408 HydrophobicContact CB-CD1 3.56Å; L405-L408 HydrophobicContact CB-CB 4.45Å; L405-L408 WeakPolarHBondContact O-CB 3.28Å; L405-L408 PolarHBondContact O-N 2.95Å; L405-L408 VanDerWaalsContact O-N 3.12Å; Q406-L408 VanDerWaalsContact C-N 3.28Å; Q406-L408 PolarHBondContact O-N 3.23Å; L408-T410 WeakPolarHBondContact CD1-O 3.16Å; L408-I411 HydrophobicContact CD1-CG1 4.38Å; L408-I411 HydrophobicContact CD2-CD1 4.02Å; L408-I411 HydrophobicContact CD2-CG1 3.99Å; L408-I411 HydrophobicContact CG-CG1 4.43Å; L408-K431 WeakPolarHBondContact O-CD 3.3Å; L408-K431 WeakPolarHBondContact O-CE 3.1Å; L408-K431 PolarHBondContact O-NZ 3.3Å; L408-V434 HydrophobicContact CG-CG2 4.27Å
409	H	97.3	Very high	89.8	Confident	69 Å²	69	40.5 Å²	40.5	32%	0.319	23%	0.231	S	C	.	.			trans	-115.5	-18.3	175.6	64.1	70.3	0	0	0	113.6	D329 T380 I381 S407 V434 L435	D329-H409 IonicContact OD1-NE2 3.14Å; D329-H409 PolarHBondContact OD1-NE2 3.1Å; D329-H409 VanDerWaalsContact OD1-NE2 3.15Å; T380-H409 WeakPolarHBondContact CB-NE2 3.37Å; T380-H409 PolarHBondContact O-N 2.91Å; I381-H409 VanDerWaalsContact CG1-CE1 3.49Å; I381-H409 WeakPolarHBondContact CG1-CE1 3.43Å; S407-H409 PolarHBondContact O-N 2.89Å; H409-V434 WeakPolarHBondContact O-CA 3.43Å; H409-V434 VanDerWaalsContact O-CG2 3.29Å; H409-V434 WeakPolarHBondContact O-CG2 3.47Å; H409-L435 PolarHBondContact O-N 3.38Å
410	T	98.4	Very high	88.9	Confident	9 Å²	9	42.7 Å²	42.7	6%	0.055	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	133.8	179.4	-60	0	0	0	0	111.8	T380 I381 F382 L408 L412 L435	T380-T410 PolarHBondContact O-N 2.79Å; I381-T410 WeakPolarHBondContact CA-O 3.37Å; I381-T410 HydrophobicContact CG2-CG2 4.18Å; F382-T410 PolarHBondContact N-O 2.94Å; L408-T410 WeakPolarHBondContact CD1-O 3.16Å; T410-L412 HydrophobicContact CG2-CD2 3.66Å; T410-L412 HydrophobicContact CG2-CG 3.97Å; T410-L435 WeakPolarHBondContact CA-O 2.98Å; T410-L435 HydrophobicContact CG2-CD2 4.39Å
411	I	98.6	Very high	88	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.1	165.7	-69.1	165.5	0	0	0	107.9	W371 F382 L408 V426 I430 V434 L435 L436 G437	W371-I411 HydrophobicContact CH2-CD1 4.33Å; F382-I411 HydrophobicContact CB-CG1 4.37Å; F382-I411 CarbonylContact O-C 3.46Å; F382-I411 VanDerWaalsContact O-CA 3.25Å; F382-I411 WeakPolarHBondContact O-CA 3.17Å; L408-I411 HydrophobicContact CD1-CG1 4.38Å; L408-I411 HydrophobicContact CD2-CD1 4.02Å; L408-I411 HydrophobicContact CD2-CG1 3.99Å; L408-I411 HydrophobicContact CG-CG1 4.43Å; I411-V426 HydrophobicContact CD1-CG1 3.93Å; I411-I430 HydrophobicContact CD1-CG2 3.82Å; I411-V434 HydrophobicContact CB-CG2 4.4Å; I411-V434 HydrophobicContact CD1-CG1 4.09Å; I411-V434 HydrophobicContact CD1-CG2 4.11Å; I411-V434 HydrophobicContact CG1-CG2 3.9Å; I411-L435 PolarHBondContact N-O 2.95Å; I411-L436 HydrophobicContact CB-CD1 3.98Å; I411-L436 HydrophobicContact CG2-CD1 3.67Å; I411-L436 WeakPolarHBondContact O-CA 3.41Å; I411-G437 PolarHBondContact O-N 3.26Å
412	L	97.8	Very high	87.1	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.016	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	141	176	-57.9	176.5	0	0	0	110.7	Y333 W344 I381 F382 G383 T384 T410 G437 I439 Q452	Y333-L412 HydrophobicContact CE2-CB 3.97Å; Y333-L412 HydrophobicContact CE2-CD1 4.33Å; W344-L412 HydrophobicContact CH2-CD1 3.93Å; W344-L412 HydrophobicContact CZ3-CD1 4.32Å; I381-L412 HydrophobicContact CG2-CD1 3.97Å; I381-L412 HydrophobicContact CG2-CG 4.23Å; F382-L412 PolarHBondContact O-N 2.78Å; G383-L412 WeakPolarHBondContact CA-O 3.47Å; T384-L412 PolarHBondContact N-O 2.85Å; T410-L412 HydrophobicContact CG2-CD2 3.66Å; T410-L412 HydrophobicContact CG2-CG 3.97Å; L412-G437 CarbonylContact C-O 3.59Å; L412-G437 VanDerWaalsContact CA-O 3.28Å; L412-G437 WeakPolarHBondContact CA-O 3.38Å; L412-I439 HydrophobicContact CD2-CG2 4.18Å; L412-Q452 HydrophobicContact CD2-CB 3.96Å; L412-Q452 HydrophobicContact CD2-CG 3.79Å
413	S	86.3	Confident	86.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.5	176.6	-166.8	0	0	0	0	111.4	T384 A386 G437 S438 I439	T384-S413 WeakPolarHBondContact O-CA 3.4Å; A386-S413 VanDerWaalsContact CA-OG 3.29Å; A386-S413 WeakPolarHBondContact CA-OG 3.38Å; A386-S413 WeakPolarHBondContact CB-OG 3.32Å; A386-S413 PolarHBondContact N-OG 2.99Å; S413-G437 PolarHBondContact N-O 2.97Å; S413-S438 CarbonylContact O-C 3.54Å; S413-S438 WeakPolarHBondContact O-CA 3.11Å; S413-I439 PolarHBondContact O-N 3.45Å
414	T	83.6	Confident	86.4	Confident	22 Å²	22	35 Å²	35	14%	0.135	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	-176.9	179.5	-161.5	0	0	0	0	112.3	Y333 M341 T384 G385 A386 S416 I439	Y333-T414 HydrophobicContact CE1-CG2 3.8Å; Y333-T414 WeakPolarHBondContact OH-CB 3.32Å; Y333-T414 WeakPolarHBondContact OH-CG2 3.47Å; Y333-T414 PolarHBondContact OH-N 2.72Å; M341-T414 HydrophobicContact CG-CG2 3.86Å; M341-T414 HydrophobicContact SD-CG2 3.9Å; T384-T414 PolarHBondContact O-N 3.14Å; T384-T414 VanDerWaalsContact O-N 3.15Å; G385-T414 WeakPolarHBondContact CA-O 3.46Å; A386-T414 PolarHBondContact N-O 2.98Å; T414-S416 VanDerWaalsContact C-N 3.33Å; T414-S416 PolarHBondContact O-N 2.63Å; T414-I439 PolarHBondContact OG1-O 2.86Å
415	G	69.4	Low	86.2	Confident	35 Å²	35	30.6 Å²	30.6	36%	0.361	17%	0.173	S	C	.	.	S	Bend	trans	90.6	-56.9	174.8	0	0	0	0	0	112.3	N549	G415-N549 PolarHBondContact O-ND2 2.86Å
416	S	67.2	Low	86.1	Confident	30 Å²	30	30.4 Å²	30.4	21%	0.21	17%	0.172	C	C	.	.	S	Bend	trans	-125.6	157.2	172.8	64.1	0	0	0	0	110.9	A386 T414 L418	A386-S416 WeakPolarHBondContact CB-O 3.41Å; T414-S416 VanDerWaalsContact C-N 3.33Å; T414-S416 PolarHBondContact O-N 2.63Å; S416-L418 PolarHBondContact O-N 3.16Å
417	P	68.4	Low	86.1	Confident	65 Å²	65	24.6 Å²	24.6	42%	0.422	14%	0.144	S	C	.	.	P	Polyproline II helix	trans	-53.3	134.4	174.3	-25.2	34.4	0	0	0	111.5	M540	P417-M540 HydrophobicContact CG-CB 4.02Å
418	L	73.4	Confident	86	Confident	10 Å²	10	30.3 Å²	30.3	5%	0.052	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-81.5	121	177.2	-175.8	62.6	0	0	0	110	A386 L389 S416 Y423 L436	A386-L418 HydrophobicContact CB-CB 4.34Å; A386-L418 HydrophobicContact CB-CD1 3.8Å; L389-L418 HydrophobicContact CD1-CD1 3.88Å; S416-L418 PolarHBondContact O-N 3.16Å; L418-Y423 HydrophobicContact CB-CE2 3.93Å; L418-Y423 HydrophobicContact CD2-CD2 3.93Å; L418-Y423 HydrophobicContact CD2-CE1 4.29Å; L418-Y423 HydrophobicContact CD2-CE2 3.58Å; L418-Y423 HydrophobicContact CD2-CG 4.43Å; L418-Y423 HydrophobicContact CG-CD2 4Å; L418-Y423 HydrophobicContact CG-CE2 3.68Å; L418-L436 HydrophobicContact CD2-CD1 4.14Å; L418-L436 HydrophobicContact CD2-CD2 4.02Å; L418-L436 HydrophobicContact CD2-CG 4.15Å
419	K	72.8	Confident	85.9	Confident	35 Å²	35	30.8 Å²	30.8	15%	0.152	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-63.7	142.7	-177.9	-65.7	-179	175	-173.4	0	111.6	Q421 S422 Y423 D582 E584	K419-Q421 PolarHBondContact O-N 3.44Å; K419-Q421 VanDerWaalsContact O-N 3.16Å; K419-S422 WeakPolarHBondContact O-CB 3.44Å; K419-S422 PolarHBondContact O-N 3.19Å; K419-Y423 WeakPolarHBondContact O-CD2 3.48Å; K419-Y423 PolarHBondContact O-N 3.2Å; K419-D582 HydrophobicContact CD-CB 4.22Å; K419-D582 WeakPolarHBondContact CE-O 3.48Å; K419-D582 VanDerWaalsContact NZ-CB 3.31Å; K419-D582 IonicContact NZ-OD2 3.85Å; K419-E584 WeakPolarHBondContact CE-OE1 3.29Å; K419-E584 IonicContact NZ-OE1 3.93Å; K419-E584 PolarHBondContact NZ-OE1 3.38Å
420	P	78.3	Confident	85.9	Confident	46 Å²	46	27.6 Å²	27.6	30%	0.299	15%	0.148	S	C	.	.	H	α-helix	trans	-52.6	-37.7	176	-28.2	35.3	0	0	0	114.3	S422 Y423 D424 R460	P420-S422 VanDerWaalsContact C-N 3.31Å; P420-S422 PolarHBondContact O-N 2.82Å; P420-Y423 WeakPolarHBondContact O-CB 3.36Å; P420-Y423 PolarHBondContact O-N 3.36Å; P420-D424 PolarHBondContact O-N 2.93Å; P420-R460 HydrophobicContact CB-CG 3.98Å; P420-R460 PolarHBondContact O-NE 3.44Å
421	Q	77.8	Confident	85.9	Confident	85 Å²	85	29 Å²	29	40%	0.397	15%	0.153	S	C	.	.	H	α-helix	trans	-68.7	-29	178.2	-60.8	81.7	-9.9	0	0	112.4	K419 Y423 D424 Y425	K419-Q421 PolarHBondContact O-N 3.44Å; K419-Q421 VanDerWaalsContact O-N 3.16Å; Q421-Y423 VanDerWaalsContact C-N 3.34Å; Q421-D424 PolarHBondContact O-N 2.75Å; Q421-Y425 PolarHBondContact O-N 3.35Å
422	S	78.4	Confident	85.7	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-72.1	-29.9	176.2	-62.9	0	0	0	0	111.8	K419 P420 Y425 V426	K419-S422 WeakPolarHBondContact O-CB 3.44Å; K419-S422 PolarHBondContact O-N 3.19Å; P420-S422 VanDerWaalsContact C-N 3.31Å; P420-S422 PolarHBondContact O-N 2.82Å; S422-Y425 PolarHBondContact O-N 2.92Å; S422-V426 WeakPolarHBondContact O-CG2 3.42Å; S422-V426 PolarHBondContact O-N 3.22Å
423	Y	88.9	Confident	85.6	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-60.3	-50.1	167	-74.7	-100.8	0	0	0	110.8	L20 L418 K419 P420 Q421 Y425 V426 Y427 L436 S438 V458 E462	L20-Y423 VanDerWaalsContact CD1-CB 3.46Å; L20-Y423 HydrophobicContact CD1-CD1 4.01Å; L20-Y423 HydrophobicContact CD1-CG 4.07Å; L418-Y423 HydrophobicContact CB-CE2 3.93Å; L418-Y423 HydrophobicContact CD2-CD2 3.93Å; L418-Y423 HydrophobicContact CD2-CE1 4.29Å; L418-Y423 HydrophobicContact CD2-CE2 3.58Å; L418-Y423 HydrophobicContact CD2-CG 4.43Å; L418-Y423 HydrophobicContact CG-CD2 4Å; L418-Y423 HydrophobicContact CG-CE2 3.68Å; K419-Y423 WeakPolarHBondContact O-CD2 3.48Å; K419-Y423 PolarHBondContact O-N 3.2Å; P420-Y423 WeakPolarHBondContact O-CB 3.36Å; P420-Y423 PolarHBondContact O-N 3.36Å; Q421-Y423 VanDerWaalsContact C-N 3.34Å; Y423-Y425 PolarHBondContact O-N 3.4Å; Y423-V426 PolarHBondContact O-N 2.72Å; Y423-V426 VanDerWaalsContact O-N 3.17Å; Y423-Y427 HydrophobicContact CD1-CE2 4.38Å; Y423-Y427 WeakPolarHBondContact O-CD2 3.33Å; Y423-Y427 PolarHBondContact O-N 3.39Å; Y423-Y427 VanDerWaalsContact O-N 3.14Å; Y423-L436 HydrophobicContact CD1-CD2 3.46Å; Y423-L436 VanDerWaalsContact CD1-CD2 3.46Å; Y423-L436 HydrophobicContact CD1-CG 4.08Å; Y423-L436 HydrophobicContact CE1-CD2 3.93Å; Y423-L436 HydrophobicContact CE1-CG 4.07Å; Y423-L436 HydrophobicContact CG-CD2 3.87Å; Y423-S438 VanDerWaalsContact OH-CB 3.31Å; Y423-S438 WeakPolarHBondContact OH-CB 3.23Å; Y423-V458 HydrophobicContact CD1-CG1 3.99Å; Y423-V458 HydrophobicContact CE1-CG1 3.71Å; Y423-E462 PolarHBondContact OH-O 2.91Å
424	D	89.9	Confident	86.1	Confident	38 Å²	38	43.4 Å²	43.4	20%	0.203	22%	0.219	C	C	.	.	H	α-helix	trans	-58.3	-39.3	179.5	-60.7	-52.7	0	0	0	111.5	K18 P420 Q421 R428 R460	K18-D424 IonicContact NZ-OD1 2.86Å; P420-D424 PolarHBondContact O-N 2.93Å; Q421-D424 PolarHBondContact O-N 2.75Å; D424-R428 WeakPolarHBondContact O-CB 3.47Å; D424-R428 PolarHBondContact O-N 3.08Å; D424-R460 IonicContact OD1-NE 2.8Å; D424-R460 PolarHBondContact OD1-NE 3.48Å; D424-R460 IonicContact OD2-CZ 3.84Å; D424-R460 VanDerWaalsContact OD2-CZ 3.28Å; D424-R460 IonicContact OD2-NE 3.71Å; D424-R460 PolarHBondContact OD2-NE 3.45Å; D424-R460 IonicContact OD2-NH2 3.02Å; D424-R460 PolarHBondContact OD2-NH2 3.06Å
425	Y	91.8	Very high	86.8	Confident	3 Å²	3	42.9 Å²	42.9	1%	0.012	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-48.3	175.2	168.5	-106.2	0	0	0	112.6	V392 Q393 L397 Q421 S422 Y423 Y427 R428 C429 I430	V392-Y425 HydrophobicContact CG2-CE1 3.88Å; Q393-Y425 HydrophobicContact CB-CD1 3.81Å; Q393-Y425 HydrophobicContact CB-CD2 3.85Å; Q393-Y425 HydrophobicContact CB-CE1 3.93Å; Q393-Y425 HydrophobicContact CB-CE2 3.96Å; Q393-Y425 HydrophobicContact CB-CG 3.77Å; Q393-Y425 HydrophobicContact CG-CD1 4.31Å; Q393-Y425 HydrophobicContact CG-CD2 3.68Å; Q393-Y425 HydrophobicContact CG-CE2 4.18Å; Q393-Y425 HydrophobicContact CG-CG 3.75Å; L397-Y425 VanDerWaalsContact O-CE2 3.28Å; L397-Y425 WeakPolarHBondContact O-CE2 3.42Å; L397-Y425 PolarHBondContact O-OH 2.94Å; Q421-Y425 PolarHBondContact O-N 3.35Å; S422-Y425 PolarHBondContact O-N 2.92Å; Y423-Y425 PolarHBondContact O-N 3.4Å; Y425-Y427 PolarHBondContact O-N 3.34Å; Y425-R428 PolarHBondContact O-N 2.57Å; Y425-C429 HydrophobicContact CD2-CB 3.7Å; Y425-C429 HydrophobicContact CE2-CB 3.47Å; Y425-C429 VanDerWaalsContact CE2-CB 3.47Å; Y425-C429 WeakPolarHBondContact O-CB 3.37Å; Y425-C429 PolarHBondContact O-N 2.99Å; Y425-I430 HydrophobicContact CD1-CD1 4.13Å; Y425-I430 HydrophobicContact CE1-CD1 3.55Å; Y425-I430 HydrophobicContact CE1-CG1 4.09Å
426	V	96	Very high	88.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.198	C	C	.	.	I	π-helix	trans	-58.6	-49.8	179.9	170.6	0	0	0	0	110.9	L389 I411 S422 Y423 R428 I430 K431 V434 L436	L389-V426 HydrophobicContact CD1-CG2 4.45Å; L389-V426 HydrophobicContact CD2-CG2 4.3Å; I411-V426 HydrophobicContact CD1-CG1 3.93Å; S422-V426 WeakPolarHBondContact O-CG2 3.42Å; S422-V426 PolarHBondContact O-N 3.22Å; Y423-V426 PolarHBondContact O-N 2.72Å; Y423-V426 VanDerWaalsContact O-N 3.17Å; V426-R428 VanDerWaalsContact C-N 3.31Å; V426-R428 PolarHBondContact O-N 2.94Å; V426-I430 HydrophobicContact CB-CD1 4.4Å; V426-I430 HydrophobicContact CG1-CB 4.38Å; V426-I430 HydrophobicContact CG2-CD1 3.95Å; V426-I430 WeakPolarHBondContact O-CA 3.44Å; V426-I430 WeakPolarHBondContact O-CB 3.41Å; V426-I430 PolarHBondContact O-N 3.2Å; V426-K431 PolarHBondContact O-N 3.34Å; V426-V434 HydrophobicContact CG1-CG1 3.89Å; V426-L436 HydrophobicContact CB-CD2 3.78Å; V426-L436 HydrophobicContact CG1-CB 4.49Å; V426-L436 HydrophobicContact CG1-CD1 4.4Å; V426-L436 HydrophobicContact CG1-CD2 3.96Å; V426-L436 HydrophobicContact CG2-CD1 4.29Å; V426-L436 HydrophobicContact CG2-CD2 3.82Å
427	Y	97.1	Very high	89.4	Confident	22 Å²	22	39.8 Å²	39.8	9%	0.086	19%	0.188	C	C	.	.	I	π-helix	trans	-68.2	-30.4	-178.8	-71	-67.6	0	0	0	113	L20 W21 Y423 Y425 R432 V434 L436	L20-Y427 HydrophobicContact CB-CD2 3.79Å; L20-Y427 HydrophobicContact CB-CE2 3.43Å; L20-Y427 VanDerWaalsContact CB-CE2 3.43Å; L20-Y427 HydrophobicContact CD1-CD2 3.9Å; L20-Y427 HydrophobicContact CD1-CE2 3.81Å; L20-Y427 HydrophobicContact CG-CD2 4.36Å; L20-Y427 HydrophobicContact CG-CE2 4.26Å; W21-Y427 HydrophobicContact CB-CE1 4Å; W21-Y427 VanDerWaalsContact CB-OH 3.26Å; W21-Y427 WeakPolarHBondContact CB-OH 3.38Å; Y423-Y427 HydrophobicContact CD1-CE2 4.38Å; Y423-Y427 WeakPolarHBondContact O-CD2 3.33Å; Y423-Y427 PolarHBondContact O-N 3.39Å; Y423-Y427 VanDerWaalsContact O-N 3.14Å; Y425-Y427 PolarHBondContact O-N 3.34Å; Y427-R432 WeakPolarHBondContact CD1-O 3.16Å; Y427-R432 WeakPolarHBondContact O-CG 3.38Å; Y427-V434 HydrophobicContact CE1-CG1 4.49Å; Y427-V434 VanDerWaalsContact CE1-O 3.32Å; Y427-V434 WeakPolarHBondContact CE1-O 3.38Å; Y427-V434 PolarHBondContact OH-O 3.46Å; Y427-L436 HydrophobicContact CE2-CB 4.26Å; Y427-L436 HydrophobicContact CE2-CD2 4.26Å
428	R	96.2	Very high	90.3	Very high	160 Å²	160	37 Å²	37	60%	0.604	17%	0.17	S	C	*	.	I	π-helix	trans	-83.5	-42.1	-179.6	-175.9	176.2	60.9	-147.1	-4.5	113.7	D424 Y425 V426	D424-R428 WeakPolarHBondContact O-CB 3.47Å; D424-R428 PolarHBondContact O-N 3.08Å; Y425-R428 PolarHBondContact O-N 2.57Å; V426-R428 VanDerWaalsContact C-N 3.31Å; V426-R428 PolarHBondContact O-N 2.94Å
429	C	97	Very high	91.2	Very high	9 Å²	9	36.7 Å²	36.7	6%	0.061	17%	0.169	C	C	.	.	I	π-helix	trans	-116.6	-12.2	-164.9	-60.5	0	0	0	0	114.2	K398 P399 S400 Y425	K398-C429 CarbonylContact C-O 3.57Å; K398-C429 WeakPolarHBondContact CA-O 3.48Å; K398-C429 HydrophobicContact CG-CB 4.3Å; P399-C429 VanDerWaalsContact CD-O 3.25Å; P399-C429 WeakPolarHBondContact CD-O 3.42Å; P399-C429 VanDerWaalsContact N-O 3.16Å; S400-C429 WeakPolarHBondContact CB-O 3.23Å; S400-C429 PolarHBondContact N-O 2.84Å; S400-C429 PolarHBondContact OG-O 3.34Å; S400-C429 VanDerWaalsContact OG-O 3.06Å; Y425-C429 HydrophobicContact CD2-CB 3.7Å; Y425-C429 HydrophobicContact CE2-CB 3.47Å; Y425-C429 VanDerWaalsContact CE2-CB 3.47Å; Y425-C429 WeakPolarHBondContact O-CB 3.37Å; Y425-C429 PolarHBondContact O-N 2.99Å
430	I	97.3	Very high	91.8	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.015	17%	0.167	C	C	.	.	I	π-helix	trans	-111.3	-71.7	178.9	-60.7	170.8	0	0	0	109.8	W371 L389 P399 S400 L405 I411 Y425 V426	W371-I430 HydrophobicContact CH2-CD1 3.78Å; W371-I430 HydrophobicContact CH2-CG1 4.27Å; W371-I430 HydrophobicContact CH2-CG2 3.62Å; W371-I430 HydrophobicContact CZ2-CD1 3.69Å; W371-I430 HydrophobicContact CZ2-CG1 4.2Å; W371-I430 HydrophobicContact CZ2-CG2 4.31Å; W371-I430 HydrophobicContact CZ3-CG2 3.82Å; L389-I430 HydrophobicContact CD2-CD1 4.3Å; P399-I430 HydrophobicContact CB-CG1 4.47Å; P399-I430 HydrophobicContact CB-CG2 4.47Å; P399-I430 HydrophobicContact CG-CG1 4.01Å; S400-I430 WeakPolarHBondContact CB-O 3.37Å; L405-I430 HydrophobicContact CD1-CG2 4.08Å; L405-I430 WeakPolarHBondContact CD1-O 3.28Å; I411-I430 HydrophobicContact CD1-CG2 3.82Å; Y425-I430 HydrophobicContact CD1-CD1 4.13Å; Y425-I430 HydrophobicContact CE1-CD1 3.55Å; Y425-I430 HydrophobicContact CE1-CG1 4.09Å; V426-I430 HydrophobicContact CB-CD1 4.4Å; V426-I430 HydrophobicContact CG1-CB 4.38Å; V426-I430 HydrophobicContact CG2-CD1 3.95Å; V426-I430 WeakPolarHBondContact O-CA 3.44Å; V426-I430 WeakPolarHBondContact O-CB 3.41Å; V426-I430 PolarHBondContact O-N 3.2Å
431	K	97.1	Very high	91.9	Very high	38 Å²	38	34.8 Å²	34.8	17%	0.165	16%	0.164	C	C	.	.			trans	-159.4	128.4	-179.8	-172.4	164.5	-175.2	171.7	0	111.8	L405 Q406 L408 V426 T433 V434	L405-K431 HydrophobicContact CB-CD 4.35Å; L405-K431 PolarHBondContact O-NZ 2.97Å; Q406-K431 PolarHBondContact O-NZ 2.96Å; Q406-K431 VanDerWaalsContact O-NZ 3.08Å; L408-K431 WeakPolarHBondContact O-CD 3.3Å; L408-K431 WeakPolarHBondContact O-CE 3.1Å; L408-K431 PolarHBondContact O-NZ 3.3Å; V426-K431 PolarHBondContact O-N 3.34Å; K431-T433 VanDerWaalsContact CE-OG1 3.24Å; K431-T433 WeakPolarHBondContact CE-OG1 3.06Å; K431-V434 HydrophobicContact CB-CB 4.13Å; K431-V434 HydrophobicContact CB-CG1 4.34Å; K431-V434 HydrophobicContact CD-CB 4.45Å; K431-V434 HydrophobicContact CG-CB 4.23Å; K431-V434 WeakPolarHBondContact O-CG1 3.28Å
432	R	95.6	Very high	92.3	Very high	203 Å²	203	31.3 Å²	31.3	77%	0.766	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-30.2	-177.2	-72.4	-179.2	-176.6	-159.2	3.4	114.4	Y427	Y427-R432 WeakPolarHBondContact CD1-O 3.16Å; Y427-R432 WeakPolarHBondContact O-CG 3.38Å
433	T	95.1	Very high	92.8	Very high	103 Å²	103	32.1 Å²	32.1	63%	0.632	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-3.3	-171.7	53.1	0	0	0	0	113.5	W21 K431	W21-T433 PolarHBondContact NE1-O 2.76Å; K431-T433 VanDerWaalsContact CE-OG1 3.24Å; K431-T433 WeakPolarHBondContact CE-OG1 3.06Å
434	V	96.9	Very high	93	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.			trans	-72.2	140.9	-176.2	80.7	0	0	0	0	110.8	W21 L408 H409 I411 V426 Y427 K431 L436	W21-V434 VanDerWaalsContact CD1-O 3.3Å; L408-V434 HydrophobicContact CG-CG2 4.27Å; H409-V434 WeakPolarHBondContact O-CA 3.43Å; H409-V434 VanDerWaalsContact O-CG2 3.29Å; H409-V434 WeakPolarHBondContact O-CG2 3.47Å; I411-V434 HydrophobicContact CB-CG2 4.4Å; I411-V434 HydrophobicContact CD1-CG1 4.09Å; I411-V434 HydrophobicContact CD1-CG2 4.11Å; I411-V434 HydrophobicContact CG1-CG2 3.9Å; V426-V434 HydrophobicContact CG1-CG1 3.89Å; Y427-V434 HydrophobicContact CE1-CG1 4.49Å; Y427-V434 VanDerWaalsContact CE1-O 3.32Å; Y427-V434 WeakPolarHBondContact CE1-O 3.38Å; Y427-V434 PolarHBondContact OH-O 3.46Å; K431-V434 HydrophobicContact CB-CB 4.13Å; K431-V434 HydrophobicContact CB-CG1 4.34Å; K431-V434 HydrophobicContact CD-CB 4.45Å; K431-V434 HydrophobicContact CG-CB 4.23Å; K431-V434 WeakPolarHBondContact O-CG1 3.28Å; V434-L436 PolarHBondContact O-N 2.89Å
435	L	97.8	Very high	93.2	Very high	11 Å²	11	30.2 Å²	30.2	6%	0.058	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	111.4	163.8	-169.3	167.7	0	0	0	107.6	W21 H409 T410 I411 Q452 P454	W21-L435 HydrophobicContact CE3-CG 4.42Å; W21-L435 HydrophobicContact CH2-CB 4.43Å; W21-L435 HydrophobicContact CH2-CD1 3.69Å; W21-L435 HydrophobicContact CH2-CG 4.08Å; W21-L435 HydrophobicContact CZ2-CB 4.07Å; W21-L435 HydrophobicContact CZ2-CD1 4.13Å; W21-L435 HydrophobicContact CZ2-CG 4.23Å; W21-L435 HydrophobicContact CZ3-CD1 4.04Å; W21-L435 HydrophobicContact CZ3-CG 4.19Å; H409-L435 PolarHBondContact O-N 3.38Å; T410-L435 WeakPolarHBondContact CA-O 2.98Å; T410-L435 HydrophobicContact CG2-CD2 4.39Å; I411-L435 PolarHBondContact N-O 2.95Å; L435-Q452 HydrophobicContact CD2-CB 3.93Å; L435-P454 HydrophobicContact CD1-CB 4.2Å
436	L	97.7	Very high	93.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	102.9	172.4	178	59.2	0	0	0	109.7	I411 L418 Y423 V426 Y427 V434	I411-L436 HydrophobicContact CB-CD1 3.98Å; I411-L436 HydrophobicContact CG2-CD1 3.67Å; I411-L436 WeakPolarHBondContact O-CA 3.41Å; L418-L436 HydrophobicContact CD2-CD1 4.14Å; L418-L436 HydrophobicContact CD2-CD2 4.02Å; L418-L436 HydrophobicContact CD2-CG 4.15Å; Y423-L436 HydrophobicContact CD1-CD2 3.46Å; Y423-L436 VanDerWaalsContact CD1-CD2 3.46Å; Y423-L436 HydrophobicContact CD1-CG 4.08Å; Y423-L436 HydrophobicContact CE1-CD2 3.93Å; Y423-L436 HydrophobicContact CE1-CG 4.07Å; Y423-L436 HydrophobicContact CG-CD2 3.87Å; V426-L436 HydrophobicContact CB-CD2 3.78Å; V426-L436 HydrophobicContact CG1-CB 4.49Å; V426-L436 HydrophobicContact CG1-CD1 4.4Å; V426-L436 HydrophobicContact CG1-CD2 3.96Å; V426-L436 HydrophobicContact CG2-CD1 4.29Å; V426-L436 HydrophobicContact CG2-CD2 3.82Å; Y427-L436 HydrophobicContact CE2-CB 4.26Å; Y427-L436 HydrophobicContact CE2-CD2 4.26Å; V434-L436 PolarHBondContact O-N 2.89Å
437	G	94.6	Very high	93.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	112.3	-179	0	0	0	0	0	111.8	I411 L412 S413	I411-G437 PolarHBondContact O-N 3.26Å; L412-G437 CarbonylContact C-O 3.59Å; L412-G437 VanDerWaalsContact CA-O 3.28Å; L412-G437 WeakPolarHBondContact CA-O 3.38Å; S413-G437 PolarHBondContact N-O 2.97Å
438	S	86.5	Confident	93.5	Very high	6 Å²	6	29.3 Å²	29.3	4%	0.042	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	131.3	160.7	-176.6	0	0	0	0	108.8	S413 Y423 G451 I463	S413-S438 CarbonylContact O-C 3.54Å; S413-S438 WeakPolarHBondContact O-CA 3.11Å; Y423-S438 VanDerWaalsContact OH-CB 3.31Å; Y423-S438 WeakPolarHBondContact OH-CB 3.23Å; S438-G451 WeakPolarHBondContact O-CA 3.4Å; S438-I463 VanDerWaalsContact O-CG2 3.26Å; S438-I463 WeakPolarHBondContact O-CG2 3.29Å
439	I	93	Very high	93.5	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	11%	0.114	C	C	.	.			trans	-119.3	143.2	-178.7	70.4	179.5	0	0	0	109.8	Y333 M341 L412 S413 T414	Y333-I439 HydrophobicContact CE2-CD1 4.16Å; M341-I439 HydrophobicContact CE-CD1 3.92Å; M341-I439 HydrophobicContact SD-CD1 4.35Å; L412-I439 HydrophobicContact CD2-CG2 4.18Å; S413-I439 PolarHBondContact O-N 3.45Å; T414-I439 PolarHBondContact OG1-O 2.86Å
440	S	85.7	Confident	93.5	Very high	18 Å²	18	21.2 Å²	21.2	13%	0.126	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	130.8	178.7	-177.1	0	0	0	0	111.4	C448 F449 M450	S440-C448 CarbonylContact O-C 3.59Å; S440-C448 VanDerWaalsContact O-CA 3.26Å; S440-C448 WeakPolarHBondContact O-CA 3.27Å; S440-C448 WeakPolarHBondContact O-CB 3.41Å; S440-F449 PolarHBondContact O-N 3.17Å; S440-M450 PolarHBondContact N-O 3.36Å; S440-M450 PolarHBondContact O-N 2.99Å; S440-M450 VanDerWaalsContact O-O 3.08Å
441	G	78.8	Confident	93.5	Very high	23 Å²	23	21.1 Å²	21.1	24%	0.237	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.4	-164.4	-165.2	0	0	0	0	0	108.7	S447	G441-S447 CarbonylContact C-O 3.57Å; G441-S447 WeakPolarHBondContact CA-O 3.38Å
442	G	86.1	Confident	93.4	Very high	12 Å²	12	19.5 Å²	19.5	12%	0.124	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.2	-178.1	175.4	0	0	0	0	0	114.8	D444 I445 V446 S447	G442-D444 PolarHBondContact O-N 3.14Å; G442-D444 VanDerWaalsContact O-N 3.14Å; G442-I445 PolarHBondContact O-N 3.11Å; G442-V446 PolarHBondContact O-N 3.14Å; G442-S447 PolarHBondContact N-O 2.9Å; G442-S447 VanDerWaalsContact N-O 3.09Å
443	T	90.2	Very high	93.5	Very high	20 Å²	20	9.9 Å²	9.9	12%	0.123	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-34.5	178.1	-47.4	0	0	0	0	111.2	M292 M304 H306 I445 V446	M292-T443 HydrophobicContact CB-CG2 3.56Å; M292-T443 HydrophobicContact CE-CG2 3.63Å; M304-T443 HydrophobicContact CE-CG2 3.27Å; H306-T443 PolarHBondContact CE1-O 3.47Å; H306-T443 VanDerWaalsContact CE1-O 3.22Å; H306-T443 PolarHBondContact NE2-O 2.93Å; H306-T443 VanDerWaalsContact NE2-O 3.07Å; T443-I445 PolarHBondContact O-N 3.41Å; T443-V446 PolarHBondContact O-N 3.38Å
444	D	92.6	Very high	93.6	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.3	-177.1	-50	-112.1	0	0	0	113.9	M304 H306 G442 P499 Y515 W523 R554	M304-D444 HydrophobicContact SD-CB 4.23Å; H306-D444 PolarHBondContact CE1-O 3.22Å; G442-D444 PolarHBondContact O-N 3.14Å; G442-D444 VanDerWaalsContact O-N 3.14Å; D444-P499 WeakPolarHBondContact O-CD 3.45Å; D444-P499 WeakPolarHBondContact O-CG 3.46Å; D444-Y515 HydrophobicContact CB-CE1 4.34Å; D444-Y515 VanDerWaalsContact OD1-CE1 3.27Å; D444-Y515 WeakPolarHBondContact OD1-CE1 3.28Å; D444-Y515 VanDerWaalsContact OD1-CZ 3.28Å; D444-Y515 PolarHBondContact OD1-OH 3.33Å; D444-W523 HydrophobicContact CB-CZ2 4.12Å; D444-R554 IonicContact OD1-NH1 2.82Å; D444-R554 IonicContact OD2-CZ 3.85Å; D444-R554 IonicContact OD2-NH1 2.81Å; D444-R554 PolarHBondContact OD2-NH1 2.65Å
445	I	95.1	Very high	93.5	Very high	0 Å²	0	7 Å²	7	0%	0	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	0.9	179.8	59.3	162.4	0	0	0	113.3	G442 T443 S447 F449 M470 I495 C497 W523	G442-I445 PolarHBondContact O-N 3.11Å; T443-I445 PolarHBondContact O-N 3.41Å; I445-S447 WeakPolarHBondContact CD1-O 3.18Å; I445-S447 WeakPolarHBondContact CG1-O 3.48Å; I445-S447 WeakPolarHBondContact O-CB 3.42Å; I445-S447 PolarHBondContact O-N 3.01Å; I445-S447 VanDerWaalsContact O-N 3.15Å; I445-F449 HydrophobicContact CD1-CD1 4.12Å; I445-F449 HydrophobicContact CD1-CD2 3.79Å; I445-F449 HydrophobicContact CD1-CE1 4.05Å; I445-F449 HydrophobicContact CD1-CE2 3.71Å; I445-F449 HydrophobicContact CD1-CG 3.98Å; I445-F449 HydrophobicContact CD1-CZ 3.85Å; I445-F449 HydrophobicContact CG1-CE2 4.32Å; I445-F449 HydrophobicContact CG2-CE2 4.4Å; I445-F449 HydrophobicContact CG2-CZ 4.01Å; I445-M470 HydrophobicContact CD1-CE 3.91Å; I445-I495 HydrophobicContact CG2-CD1 3.95Å; I445-C497 WeakPolarHBondContact O-CB 3.36Å; I445-W523 HydrophobicContact CG2-CH2 4.27Å; I445-W523 HydrophobicContact CG2-CZ2 4.11Å
446	V	96.3	Very high	93.5	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.006	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	42.6	-170.6	-154.7	0	0	0	0	111.6	M292 H306 H315 M340 N343 G442 T443	M292-V446 HydrophobicContact CE-CB 4.04Å; M292-V446 HydrophobicContact CE-CG1 3.84Å; M292-V446 HydrophobicContact CE-CG2 3.4Å; H306-V446 HydrophobicContact CB-CG2 3.92Å; H306-V446 WeakPolarHBondContact CD2-CG2 3.39Å; H306-V446 WeakPolarHBondContact CE1-CG2 3.47Å; H306-V446 WeakPolarHBondContact ND1-CG2 3.35Å; H306-V446 VanDerWaalsContact NE2-CG2 3.3Å; H306-V446 WeakPolarHBondContact NE2-CG2 3.48Å; H315-V446 PolarHBondContact CD2-O 2.8Å; H315-V446 VanDerWaalsContact CD2-O 3.32Å; H315-V446 PolarHBondContact NE2-O 2.99Å; M340-V446 HydrophobicContact CB-CG1 4.35Å; M340-V446 HydrophobicContact CE-CG1 4.36Å; N343-V446 HydrophobicContact CB-CG1 4.07Å; G442-V446 PolarHBondContact O-N 3.14Å; T443-V446 PolarHBondContact O-N 3.38Å
447	S	96.8	Very high	93.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	174.9	-166.7	164	0	0	0	0	110.3	Q314 E318 G441 G442 I445	Q314-S447 VanDerWaalsContact CD-OG 3.27Å; Q314-S447 VanDerWaalsContact CG-CB 3.41Å; Q314-S447 WeakPolarHBondContact CG-OG 3.28Å; Q314-S447 PolarHBondContact NE2-OG 3.39Å; E318-S447 WeakPolarHBondContact OE1-CB 3.22Å; E318-S447 PolarHBondContact OE1-OG 3.1Å; G441-S447 CarbonylContact C-O 3.57Å; G441-S447 WeakPolarHBondContact CA-O 3.38Å; G442-S447 PolarHBondContact N-O 2.9Å; G442-S447 VanDerWaalsContact N-O 3.09Å; I445-S447 WeakPolarHBondContact CD1-O 3.18Å; I445-S447 WeakPolarHBondContact CG1-O 3.48Å; I445-S447 WeakPolarHBondContact O-CB 3.42Å; I445-S447 PolarHBondContact O-N 3.01Å; I445-S447 VanDerWaalsContact O-N 3.15Å
448	C	96.4	Very high	93.6	Very high	4 Å²	4	9.3 Å²	9.3	3%	0.027	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.7	174.2	-56.6	0	0	0	0	112.2	E318 S440 N467	E318-C448 PolarHBondContact OE1-N 3.38Å; S440-C448 CarbonylContact O-C 3.59Å; S440-C448 VanDerWaalsContact O-CA 3.26Å; S440-C448 WeakPolarHBondContact O-CA 3.27Å; S440-C448 WeakPolarHBondContact O-CB 3.41Å; C448-N467 WeakPolarHBondContact CB-ND2 3.31Å; C448-N467 PolarHBondContact O-ND2 3.24Å
449	F	97.4	Very high	94	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-30.2	166.9	-78.7	-64.4	0	0	0	111.6	S440 I445 N467 M470 V472 L489 C491 I495 W523 H525	S440-F449 PolarHBondContact O-N 3.17Å; I445-F449 HydrophobicContact CD1-CD1 4.12Å; I445-F449 HydrophobicContact CD1-CD2 3.79Å; I445-F449 HydrophobicContact CD1-CE1 4.05Å; I445-F449 HydrophobicContact CD1-CE2 3.71Å; I445-F449 HydrophobicContact CD1-CG 3.98Å; I445-F449 HydrophobicContact CD1-CZ 3.85Å; I445-F449 HydrophobicContact CG1-CE2 4.32Å; I445-F449 HydrophobicContact CG2-CE2 4.4Å; I445-F449 HydrophobicContact CG2-CZ 4.01Å; F449-N467 WeakPolarHBondContact O-CB 3.46Å; F449-N467 PolarHBondContact O-N 3.14Å; F449-M470 HydrophobicContact CD1-CB 4.44Å; F449-M470 HydrophobicContact CD1-CE 3.36Å; F449-M470 HydrophobicContact CE1-CE 3.57Å; F449-M470 HydrophobicContact CG-CE 4.27Å; F449-V472 HydrophobicContact CB-CG2 3.99Å; F449-V472 HydrophobicContact CD1-CG2 3.71Å; F449-V472 HydrophobicContact CG-CG2 4.22Å; F449-L489 HydrophobicContact CD2-CD2 4.08Å; F449-L489 HydrophobicContact CE2-CD2 4.35Å; F449-L489 HydrophobicContact CG-CD2 4.33Å; F449-C491 HydrophobicContact CD1-CB 4.48Å; F449-C491 HydrophobicContact CE1-CB 3.75Å; F449-C491 HydrophobicContact CZ-CB 4.42Å; F449-I495 HydrophobicContact CE1-CD1 4.11Å; F449-W523 AromaticContact CZ-NE1 3.82Å; F449-H525 AromaticContact CD2-NE2 3.98Å; F449-H525 HydrophobicContact CE2-CB 4.44Å; F449-H525 AromaticContact CE2-CD2 3.84Å; F449-H525 AromaticContact CE2-CE1 3.68Å; F449-H525 AromaticContact CE2-CG 3.73Å; F449-H525 AromaticContact CE2-ND1 3.64Å; F449-H525 AromaticContact CE2-NE2 3.78Å
450	M	96.7	Very high	93.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	153.4	179.9	59	-138.9	74.3	0	0	110.1	S440 I463 S465 V472 L489 I538 M540	S440-M450 PolarHBondContact N-O 3.36Å; S440-M450 PolarHBondContact O-N 2.99Å; S440-M450 VanDerWaalsContact O-O 3.08Å; M450-I463 HydrophobicContact CB-CG2 3.92Å; M450-I463 HydrophobicContact CG-CB 4.46Å; M450-I463 HydrophobicContact CG-CD1 3.95Å; M450-I463 HydrophobicContact CG-CG2 3.79Å; M450-I463 HydrophobicContact SD-CD1 4.43Å; M450-S465 CarbonylContact C-O 3.58Å; M450-S465 VanDerWaalsContact CA-O 3.27Å; M450-S465 WeakPolarHBondContact CA-O 3.48Å; M450-S465 VanDerWaalsContact CB-O 3.31Å; M450-S465 WeakPolarHBondContact CB-O 3.4Å; M450-V472 HydrophobicContact CE-CG1 4.14Å; M450-L489 HydrophobicContact CE-CD1 3.41Å; M450-L489 VanDerWaalsContact CE-CD1 3.41Å; M450-L489 HydrophobicContact CE-CG 4.2Å; M450-L489 HydrophobicContact SD-CD1 4.25Å; M450-I538 HydrophobicContact CB-CD1 4.15Å; M450-I538 HydrophobicContact SD-CB 4.08Å; M450-I538 HydrophobicContact SD-CG1 4.29Å; M450-I538 HydrophobicContact SD-CG2 3.7Å; M450-M540 HydrophobicContact SD-SD 3.79Å
451	G	96.4	Very high	93.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	-152.6	-179.6	0	0	0	0	0	114.6	S438 S465 N467	S438-G451 WeakPolarHBondContact O-CA 3.4Å; G451-S465 PolarHBondContact N-O 3.49Å; G451-S465 PolarHBondContact O-N 3.31Å; G451-N467 PolarHBondContact N-OD1 2.8Å
452	Q	96.4	Very high	94.2	Very high	5 Å²	5	13.9 Å²	13.9	2%	0.023	8%	0.078	C	C	.	.			trans	-64.7	149.2	179	80.9	-72.4	-4.7	0	0	111.4	H322 L412 L435	H322-Q452 PolarHBondContact ND1-O 3.31Å; H322-Q452 WeakPolarHBondContact O-CG 3.05Å; L412-Q452 HydrophobicContact CD2-CB 3.96Å; L412-Q452 HydrophobicContact CD2-CG 3.79Å; L435-Q452 HydrophobicContact CD2-CB 3.93Å
453	N	97.1	Very high	94.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.			trans	-150.6	119.6	176.8	178.6	-18.2	0	0	0	109.9	Y49 T455 V456 Q464 S465	Y49-N453 VanDerWaalsContact CD1-ND2 3.3Å; Y49-N453 WeakPolarHBondContact CD1-ND2 3.44Å; Y49-N453 WeakPolarHBondContact CD2-ND2 3.24Å; Y49-N453 VanDerWaalsContact CE1-ND2 3.32Å; Y49-N453 WeakPolarHBondContact CE1-ND2 3.3Å; Y49-N453 WeakPolarHBondContact CE2-ND2 3.35Å; N453-T455 PolarHBondContact O-N 3.45Å; N453-T455 PolarHBondContact OD1-N 2.83Å; N453-T455 PolarHBondContact OD1-OG1 2.76Å; N453-V456 HydrophobicContact CB-CG2 3.72Å; N453-Q464 HydrophobicContact CB-CB 4.47Å; N453-Q464 PolarHBondContact O-NE2 3.4Å; N453-S465 VanDerWaalsContact CB-OG 3.25Å; N453-S465 WeakPolarHBondContact CB-OG 3.42Å; N453-S465 PolarHBondContact ND2-OG 3.13Å; N453-S465 VanDerWaalsContact ND2-OG 3.09Å
454	P	96.4	Very high	94.9	Very high	12 Å²	12	13.1 Å²	13.1	8%	0.078	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-5.8	-173.6	34.7	-38.6	0	0	0	112.9	P23 T29 M31 H322 N324 L435	P23-P454 WeakPolarHBondContact CB-O 3.41Å; T29-P454 HydrophobicContact CG2-CB 3.9Å; T29-P454 HydrophobicContact CG2-CG 4.05Å; M31-P454 HydrophobicContact CB-CG 4.47Å; H322-P454 WeakPolarHBondContact O-CD 3.25Å; N324-P454 HydrophobicContact CB-CB 4.35Å; N324-P454 HydrophobicContact CB-CG 4.16Å; L435-P454 HydrophobicContact CD1-CB 4.2Å
455	T	96.6	Very high	95.1	Very high	32 Å²	32	13.5 Å²	13.5	20%	0.196	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-3.8	-174.5	69.5	0	0	0	0	114.3	P23 T29 M31 N453	P23-T455 WeakPolarHBondContact CG-O 3.3Å; T29-T455 HydrophobicContact CG2-CG2 4.35Å; T29-T455 WeakPolarHBondContact OG1-CG2 3.28Å; M31-T455 HydrophobicContact CB-CG2 3.71Å; M31-T455 HydrophobicContact CG-CG2 3.73Å; N453-T455 PolarHBondContact O-N 3.45Å; N453-T455 PolarHBondContact OD1-N 2.83Å; N453-T455 PolarHBondContact OD1-OG1 2.76Å
456	V	96.1	Very high	95.2	Very high	27 Å²	27	15.1 Å²	15.1	16%	0.164	8%	0.079	C	C	.	.	S	Bend	trans	-127.3	155.1	177.9	-55.2	0	0	0	0	111.1	P23 Y49 N453 Q464	P23-V456 WeakPolarHBondContact CG-O 3.11Å; Y49-V456 HydrophobicContact CD1-CG1 4.31Å; Y49-V456 HydrophobicContact CG-CG1 4.22Å; N453-V456 HydrophobicContact CB-CG2 3.72Å; V456-Q464 HydrophobicContact CG2-CB 4.01Å; V456-Q464 PolarHBondContact O-NE2 3.17Å
457	P	96.8	Very high	95.3	Very high	32 Å²	32	15.1 Å²	15.1	21%	0.208	8%	0.079	C	C	.	.	P	Polyproline II helix	trans	-62.8	157.5	-179.9	-20.8	32.9	0	0	0	114.1	V19 W21 Y22 Y459 Q464	V19-P457 HydrophobicContact CG1-CB 3.81Å; W21-P457 WeakPolarHBondContact O-CA 3.35Å; Y22-P457 HydrophobicContact CD1-CB 4.47Å; Y22-P457 HydrophobicContact CD1-CG 4.28Å; P457-Y459 HydrophobicContact CB-CD2 4.36Å; P457-Y459 HydrophobicContact CB-CE2 3.79Å; P457-Y459 HydrophobicContact CG-CE2 4.23Å; P457-Q464 PolarHBondContact O-NE2 2.86Å
458	V	97.8	Very high	95.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121	166	177.9	0	0	0	0	108.2	L20 W21 Y423 Q464	L20-V458 PolarHBondContact N-O 3.4Å; W21-V458 HydrophobicContact CB-CB 3.98Å; W21-V458 HydrophobicContact CB-CG2 4.07Å; W21-V458 HydrophobicContact CD2-CG2 4.33Å; W21-V458 HydrophobicContact CE3-CG2 3.83Å; W21-V458 HydrophobicContact CG-CG2 4.48Å; W21-V458 PolarHBondContact O-N 2.92Å; Y423-V458 HydrophobicContact CD1-CG1 3.99Å; Y423-V458 HydrophobicContact CE1-CG1 3.71Å; V458-Q464 HydrophobicContact CG2-CG 4.04Å
459	Y	95.6	Very high	95.5	Very high	49 Å²	49	15 Å²	15	19%	0.192	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140.7	173.3	-67.6	-90	0	0	0	110.1	S17 V19 P457 G461 E462 T535	S17-Y459 WeakPolarHBondContact O-CD1 3.47Å; V19-Y459 HydrophobicContact CB-CE1 4.42Å; V19-Y459 HydrophobicContact CG2-CD1 3.77Å; V19-Y459 HydrophobicContact CG2-CE1 3.25Å; P457-Y459 HydrophobicContact CB-CD2 4.36Å; P457-Y459 HydrophobicContact CB-CE2 3.79Å; P457-Y459 HydrophobicContact CG-CE2 4.23Å; Y459-G461 PolarHBondContact O-N 3.06Å; Y459-G461 VanDerWaalsContact O-N 3.13Å; Y459-E462 PolarHBondContact O-N 3.19Å; Y459-T535 HydrophobicContact CD1-CG2 3.78Å; Y459-T535 HydrophobicContact CD2-CG2 3.96Å; Y459-T535 HydrophobicContact CE1-CG2 3.52Å; Y459-T535 HydrophobicContact CE2-CG2 3.76Å; Y459-T535 HydrophobicContact CG-CG2 3.97Å
460	R	90.7	Very high	95.5	Very high	67 Å²	67	15 Å²	15	25%	0.253	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	118	179.6	-176	177.1	-177.2	-89.8	-1.7	111	K18 L20 P420 D424 E462	K18-R460 HydrophobicContact CB-CB 4.27Å; K18-R460 PolarHBondContact O-N 3.03Å; L20-R460 HydrophobicContact CD1-CB 3.67Å; L20-R460 HydrophobicContact CD1-CG 4.01Å; L20-R460 HydrophobicContact CG-CB 4.02Å; P420-R460 HydrophobicContact CB-CG 3.98Å; P420-R460 PolarHBondContact O-NE 3.44Å; D424-R460 IonicContact OD1-NE 2.8Å; D424-R460 PolarHBondContact OD1-NE 3.48Å; D424-R460 IonicContact OD2-CZ 3.84Å; D424-R460 VanDerWaalsContact OD2-CZ 3.28Å; D424-R460 IonicContact OD2-NE 3.71Å; D424-R460 PolarHBondContact OD2-NE 3.45Å; D424-R460 IonicContact OD2-NH2 3.02Å; D424-R460 PolarHBondContact OD2-NH2 3.06Å; R460-E462 VanDerWaalsContact C-N 3.34Å
461	G	80.1	Confident	95.5	Very high	17 Å²	17	15.4 Å²	15.4	18%	0.175	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	5.5	175.2	0	0	0	0	0	115.5	Y459	Y459-G461 PolarHBondContact O-N 3.06Å; Y459-G461 VanDerWaalsContact O-N 3.13Å
462	E	90.7	Very high	95.6	Very high	14 Å²	14	15.5 Å²	15.5	7%	0.065	8%	0.082	C	C	.	.	S	Bend	trans	-113	139.4	179.4	-59.7	-179.4	-174.1	0	0	110.6	S17 Y423 Y459 R460 N532 T535 V539	S17-E462 PolarHBondContact OG-OE1 3.36Å; Y423-E462 PolarHBondContact OH-O 2.91Å; Y459-E462 PolarHBondContact O-N 3.19Å; R460-E462 VanDerWaalsContact C-N 3.34Å; E462-N532 PolarHBondContact OE1-ND2 3.19Å; E462-T535 WeakPolarHBondContact OE2-CB 3.37Å; E462-T535 PolarHBondContact OE2-OG1 3.35Å; E462-V539 HydrophobicContact CG-CG2 4.16Å
463	I	94.4	Very high	95.7	Very high	7 Å²	7	18 Å²	18	4%	0.036	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-71.2	129.9	160.3	-61.6	171	0	0	0	107.5	S438 M450 S465 G537 I538 M540	S438-I463 VanDerWaalsContact O-CG2 3.26Å; S438-I463 WeakPolarHBondContact O-CG2 3.29Å; M450-I463 HydrophobicContact CB-CG2 3.92Å; M450-I463 HydrophobicContact CG-CB 4.46Å; M450-I463 HydrophobicContact CG-CD1 3.95Å; M450-I463 HydrophobicContact CG-CG2 3.79Å; M450-I463 HydrophobicContact SD-CD1 4.43Å; I463-S465 PolarHBondContact O-N 2.53Å; I463-G537 CarbonylContact O-C 3.13Å; I463-G537 VanDerWaalsContact O-CA 3.25Å; I463-G537 WeakPolarHBondContact O-CA 3.39Å; I463-I538 HydrophobicContact CB-CB 4.35Å; I463-I538 PolarHBondContact N-O 3.22Å; I463-I538 PolarHBondContact O-N 2.85Å; I463-M540 HydrophobicContact CD1-CG 3.62Å; I463-M540 HydrophobicContact CD1-SD 4.36Å
464	Q	95.8	Very high	95.5	Very high	9 Å²	9	18 Å²	18	4%	0.042	9%	0.094	C	C	.	.			trans	-60.3	-48.1	-164.9	-67.6	-178	-93.8	0	0	114	N453 V456 P457 V458	N453-Q464 HydrophobicContact CB-CB 4.47Å; N453-Q464 PolarHBondContact O-NE2 3.4Å; V456-Q464 HydrophobicContact CG2-CB 4.01Å; V456-Q464 PolarHBondContact O-NE2 3.17Å; P457-Q464 PolarHBondContact O-NE2 2.86Å; V458-Q464 HydrophobicContact CG2-CG 4.04Å
465	S	96.9	Very high	95.5	Very high	8 Å²	8	19.3 Å²	19.3	6%	0.056	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	152.5	-174.2	64.3	0	0	0	0	113.8	M450 G451 N453 I463	M450-S465 CarbonylContact C-O 3.58Å; M450-S465 VanDerWaalsContact CA-O 3.27Å; M450-S465 WeakPolarHBondContact CA-O 3.48Å; M450-S465 VanDerWaalsContact CB-O 3.31Å; M450-S465 WeakPolarHBondContact CB-O 3.4Å; G451-S465 PolarHBondContact N-O 3.49Å; G451-S465 PolarHBondContact O-N 3.31Å; N453-S465 VanDerWaalsContact CB-OG 3.25Å; N453-S465 WeakPolarHBondContact CB-OG 3.42Å; N453-S465 PolarHBondContact ND2-OG 3.13Å; N453-S465 VanDerWaalsContact ND2-OG 3.09Å; I463-S465 PolarHBondContact O-N 2.53Å
466	R	97.9	Very high	95	Very high	34 Å²	34	18.8 Å²	18.8	13%	0.128	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	138	162.8	-63.5	171.4	-70.2	171.5	2	109.4	Y49 Y53 V472 I538	Y49-R466 PolarHBondContact OH-O 3.05Å; Y53-R466 HydrophobicContact CD2-CB 4.23Å; Y53-R466 VanDerWaalsContact CE1-CZ 3.42Å; Y53-R466 HydrophobicContact CE2-CB 3.52Å; R466-V472 VanDerWaalsContact CD-O 3.23Å; R466-V472 WeakPolarHBondContact CD-O 3.25Å; R466-V472 HydrophobicContact CG-CB 4.11Å; R466-V472 HydrophobicContact CG-CG1 4.23Å; R466-V472 PolarHBondContact NH1-O 2.9Å; R466-V472 VanDerWaalsContact NH1-O 3.13Å; R466-I538 HydrophobicContact CG-CD1 4Å; R466-I538 HydrophobicContact CG-CG1 4.39Å
467	N	98.1	Very high	94.3	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-75.9	148.8	-176.2	-79.4	-0.9	0	0	0	112.3	Y53 H322 C448 F449 G451 M470	Y53-N467 WeakPolarHBondContact CE2-O 3.42Å; H322-N467 PolarHBondContact CE1-OD1 3.05Å; H322-N467 PolarHBondContact ND1-OD1 2.81Å; C448-N467 WeakPolarHBondContact CB-ND2 3.31Å; C448-N467 PolarHBondContact O-ND2 3.24Å; F449-N467 WeakPolarHBondContact O-CB 3.46Å; F449-N467 PolarHBondContact O-N 3.14Å; G451-N467 PolarHBondContact N-OD1 2.8Å; N467-M470 HydrophobicContact CB-CG 3.8Å; N467-M470 VanDerWaalsContact O-CB 3.32Å; N467-M470 WeakPolarHBondContact O-CB 3.27Å; N467-M470 WeakPolarHBondContact O-CG 3.45Å; N467-M470 PolarHBondContact O-N 3.31Å
468	L	98.8	Very high	93.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	143.3	176.9	-64.3	-177.8	0	0	0	111.4	M31 F34 Y49 L52 Y53 F63 K317 L321 H322 M470	M31-L468 HydrophobicContact CE-CD1 4.11Å; M31-L468 HydrophobicContact SD-CD1 3.47Å; M31-L468 WeakPolarHBondContact SD-CD1 3.43Å; M31-L468 HydrophobicContact SD-CG 4.33Å; F34-L468 HydrophobicContact CE1-CD1 4.49Å; Y49-L468 HydrophobicContact CD2-CD2 4.44Å; Y49-L468 HydrophobicContact CE2-CD1 4.42Å; Y49-L468 HydrophobicContact CE2-CD2 3.62Å; Y49-L468 HydrophobicContact CE2-CG 3.87Å; Y49-L468 PolarHBondContact OH-N 2.94Å; L52-L468 HydrophobicContact CD2-CD1 3.78Å; L52-L468 HydrophobicContact CD2-CD2 4.21Å; L52-L468 HydrophobicContact CG-CD1 4.16Å; L52-L468 HydrophobicContact CG-CD2 3.94Å; Y53-L468 HydrophobicContact CD2-CD2 4.49Å; F63-L468 HydrophobicContact CE1-CB 4.44Å; F63-L468 HydrophobicContact CE2-CB 3.83Å; F63-L468 HydrophobicContact CE2-CD1 4.08Å; F63-L468 HydrophobicContact CZ-CB 3.52Å; F63-L468 HydrophobicContact CZ-CD1 4.46Å; K317-L468 HydrophobicContact CD-CB 4.36Å; K317-L468 WeakPolarHBondContact CD-O 3.34Å; K317-L468 PolarHBondContact NZ-O 3.28Å; L321-L468 HydrophobicContact CD1-CD1 4.2Å; H322-L468 PolarHBondContact NE2-N 3.1Å; H322-L468 VanDerWaalsContact NE2-N 3.18Å; L468-M470 PolarHBondContact O-N 2.81Å
469	G	98	Very high	93.5	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.021	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	2.3	-176.8	0	0	0	0	0	114.7	S56 F63	S56-G469 PolarHBondContact OG-N 3.44Å; F63-G469 VanDerWaalsContact CE1-CA 3.46Å
470	M	98	Very high	93.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.			trans	-108	102.8	179.6	-44.9	-61.5	-72	0	0	109.2	Y53 Q314 I445 F449 N467 L468 V472 I495	Y53-M470 WeakPolarHBondContact CE2-O 3.43Å; Y53-M470 PolarHBondContact OH-O 2.68Å; Q314-M470 PolarHBondContact NE2-SD 3.21Å; I445-M470 HydrophobicContact CD1-CE 3.91Å; F449-M470 HydrophobicContact CD1-CB 4.44Å; F449-M470 HydrophobicContact CD1-CE 3.36Å; F449-M470 HydrophobicContact CE1-CE 3.57Å; F449-M470 HydrophobicContact CG-CE 4.27Å; N467-M470 HydrophobicContact CB-CG 3.8Å; N467-M470 VanDerWaalsContact O-CB 3.32Å; N467-M470 WeakPolarHBondContact O-CB 3.27Å; N467-M470 WeakPolarHBondContact O-CG 3.45Å; N467-M470 PolarHBondContact O-N 3.31Å; L468-M470 PolarHBondContact O-N 2.81Å; M470-V472 HydrophobicContact CB-CG2 3.84Å; M470-V472 PolarHBondContact O-N 2.9Å; M470-I495 HydrophobicContact CE-CB 4.47Å; M470-I495 HydrophobicContact CE-CD1 3.56Å; M470-I495 HydrophobicContact CE-CG2 4.06Å; M470-I495 HydrophobicContact SD-CB 4.41Å; M470-I495 HydrophobicContact SD-CG2 3.83Å
471	A	97.9	Very high	93.7	Very high	8 Å²	8	33.4 Å²	33.4	7%	0.066	18%	0.181	C	C	.	.			trans	-75.4	65.8	-179.5	0	0	0	0	0	112	V57 C491 L492 K493	V57-A471 HydrophobicContact CB-CB 4.05Å; V57-A471 HydrophobicContact CG1-CB 4.04Å; A471-C491 WeakPolarHBondContact O-CA 3.31Å; A471-L492 HydrophobicContact CB-CB 4.13Å; A471-L492 PolarHBondContact O-N 2.82Å; A471-K493 HydrophobicContact CB-CB 3.8Å; A471-K493 HydrophobicContact CB-CG 3.52Å
472	V	97.8	Very high	94.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	130.9	-172.1	175.7	0	0	0	0	111.7	Y53 F449 M450 R466 M470 L489 V490	Y53-V472 PolarHBondContact OH-N 3.09Å; F449-V472 HydrophobicContact CB-CG2 3.99Å; F449-V472 HydrophobicContact CD1-CG2 3.71Å; F449-V472 HydrophobicContact CG-CG2 4.22Å; M450-V472 HydrophobicContact CE-CG1 4.14Å; R466-V472 VanDerWaalsContact CD-O 3.23Å; R466-V472 WeakPolarHBondContact CD-O 3.25Å; R466-V472 HydrophobicContact CG-CB 4.11Å; R466-V472 HydrophobicContact CG-CG1 4.23Å; R466-V472 PolarHBondContact NH1-O 2.9Å; R466-V472 VanDerWaalsContact NH1-O 3.13Å; M470-V472 HydrophobicContact CB-CG2 3.84Å; M470-V472 PolarHBondContact O-N 2.9Å; V472-L489 HydrophobicContact CG1-CD2 4.49Å; V472-L489 HydrophobicContact CG1-CG 4.38Å; V472-V490 VanDerWaalsContact CA-O 3.29Å; V472-V490 WeakPolarHBondContact CA-O 3.5Å
473	E	97.6	Very high	94.5	Very high	57 Å²	57	38.8 Å²	38.8	27%	0.266	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	166.2	173.1	-62.5	-172.9	172.7	0	0	111	W475 V490 L492	E473-W475 PolarHBondContact OE2-NE1 3.23Å; E473-V490 HydrophobicContact CB-CG2 3.85Å; E473-V490 PolarHBondContact N-O 2.87Å; E473-V490 VanDerWaalsContact N-O 3.09Å; E473-V490 PolarHBondContact O-N 3.21Å; E473-L492 HydrophobicContact CG-CD1 4.22Å
474	A	94.4	Very high	94	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.017	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.6	167	0	0	0	0	0	108.4	P481 V482 E488 I531	A474-P481 CarbonylContact O-C 3.51Å; A474-P481 WeakPolarHBondContact O-CA 3.43Å; A474-V482 HydrophobicContact CB-CG2 4.22Å; A474-V482 WeakPolarHBondContact O-CG2 3.27Å; A474-V482 PolarHBondContact O-N 3.33Å; A474-E488 CarbonylContact C-O 3.5Å; A474-E488 WeakPolarHBondContact CA-O 3.39Å; A474-I531 HydrophobicContact CB-CD1 4.22Å; A474-I531 HydrophobicContact CB-CG1 4.28Å
475	W	95.7	Very high	93.4	Very high	39 Å²	39	44.7 Å²	44.7	15%	0.148	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.7	-176.8	-81	19	0	0	0	112.9	E473 K480 G487 E488 V490 L492 F519 V522	E473-W475 PolarHBondContact OE2-NE1 3.23Å; W475-K480 CarbonylContact C-O 3.37Å; W475-K480 VanDerWaalsContact CA-O 3.24Å; W475-K480 WeakPolarHBondContact CA-O 3.37Å; W475-G487 CarbonylContact O-C 3.48Å; W475-G487 WeakPolarHBondContact O-CA 3.45Å; W475-E488 PolarHBondContact N-O 2.83Å; W475-E488 PolarHBondContact O-N 2.87Å; W475-V490 HydrophobicContact CB-CG1 4.23Å; W475-V490 HydrophobicContact CB-CG2 4.38Å; W475-V490 HydrophobicContact CD2-CG1 4.29Å; W475-V490 HydrophobicContact CD2-CG2 3.88Å; W475-V490 HydrophobicContact CE3-CG1 4.42Å; W475-V490 HydrophobicContact CG-CG1 4.21Å; W475-V490 HydrophobicContact CG-CG2 3.69Å; W475-L492 HydrophobicContact CH2-CD2 4.16Å; W475-L492 HydrophobicContact CZ2-CD2 3.51Å; W475-F519 HydrophobicContact CB-CE2 4.16Å; W475-F519 HydrophobicContact CB-CZ 4.2Å; W475-F519 HydrophobicContact CE3-CB 4.23Å; W475-F519 AromaticContact CE3-CD1 3.87Å; W475-F519 HydrophobicContact CE3-CD1 3.87Å; W475-F519 AromaticContact CE3-CD2 3.79Å; W475-F519 HydrophobicContact CE3-CD2 3.79Å; W475-F519 HydrophobicContact CE3-CE1 4.16Å; W475-F519 HydrophobicContact CE3-CE2 4.05Å; W475-F519 AromaticContact CE3-CG 3.69Å; W475-F519 HydrophobicContact CE3-CG 3.69Å; W475-F519 HydrophobicContact CE3-CZ 4.23Å; W475-F519 HydrophobicContact CZ3-CB 3.92Å; W475-F519 HydrophobicContact CZ3-CD1 4.13Å; W475-F519 HydrophobicContact CZ3-CD2 4.35Å; W475-F519 AromaticContact CZ3-CG 3.88Å; W475-F519 HydrophobicContact CZ3-CG 3.88Å; W475-V522 HydrophobicContact CH2-CB 4.43Å; W475-V522 HydrophobicContact CH2-CG1 4.31Å; W475-V522 HydrophobicContact CH2-CG2 3.74Å; W475-V522 HydrophobicContact CZ3-CB 4.39Å; W475-V522 HydrophobicContact CZ3-CG1 4.26Å; W475-V522 HydrophobicContact CZ3-CG2 4.11Å
476	S	86.4	Confident	92.7	Very high	21 Å²	21	47.6 Å²	47.6	15%	0.147	25%	0.251	C	S	.	.			trans	-68.6	172.2	170.8	79.7	0	0	0	0	111.8	E478 G479 K480	S476-E478 VanDerWaalsContact CB-OE2 3.24Å; S476-E478 WeakPolarHBondContact CB-OE2 3.19Å; S476-E478 PolarHBondContact O-N 2.94Å; S476-E478 VanDerWaalsContact O-N 3.14Å; S476-E478 PolarHBondContact OG-N 3.37Å; S476-E478 PolarHBondContact OG-OE2 3.12Å; S476-G479 PolarHBondContact O-N 3.36Å; S476-K480 PolarHBondContact N-O 2.8Å
477	T	80.2	Confident	92.1	Very high	113 Å²	113	46 Å²	46	69%	0.693	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.7	174.6	37.7	0	0	0	0	113.7	G479	T477-G479 VanDerWaalsContact C-N 3.3Å
478	E	86.6	Confident	91.7	Very high	134 Å²	134	46.7 Å²	46.7	63%	0.626	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	2.2	176.5	-55	67.9	-136.6	0	0	112.8	S476	S476-E478 VanDerWaalsContact CB-OE2 3.24Å; S476-E478 WeakPolarHBondContact CB-OE2 3.19Å; S476-E478 PolarHBondContact O-N 2.94Å; S476-E478 VanDerWaalsContact O-N 3.14Å; S476-E478 PolarHBondContact OG-N 3.37Å; S476-E478 PolarHBondContact OG-OE2 3.12Å
479	G	91.7	Very high	91.5	Very high	22 Å²	22	46.7 Å²	46.7	23%	0.227	25%	0.248	C	C	.	.	S	Bend	trans	73.2	36.4	-179.8	0	0	0	0	0	113.7	S476 T477	S476-G479 PolarHBondContact O-N 3.36Å; T477-G479 VanDerWaalsContact C-N 3.3Å
480	K	95.1	Very high	91.5	Very high	140 Å²	140	46.6 Å²	46.6	61%	0.609	25%	0.247	S	C	*	.			trans	-116.5	142	177.1	-66.9	-175.8	179.1	178.5	0	111.2	W475 S476	W475-K480 CarbonylContact C-O 3.37Å; W475-K480 VanDerWaalsContact CA-O 3.24Å; W475-K480 WeakPolarHBondContact CA-O 3.37Å; S476-K480 PolarHBondContact N-O 2.8Å
481	P	96.5	Very high	91.5	Very high	73 Å²	73	46.6 Å²	46.6	47%	0.474	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-63.9	137.2	175.8	25.9	-33.5	0	0	0	111.7	A474	A474-P481 CarbonylContact O-C 3.51Å; A474-P481 WeakPolarHBondContact O-CA 3.43Å
482	V	92.7	Very high	91.5	Very high	19 Å²	19	48.5 Å²	48.5	12%	0.115	26%	0.256	C	S	.	.			trans	-127.8	149.1	178.3	-65.1	0	0	0	0	111.4	A474 E485	A474-V482 HydrophobicContact CB-CG2 4.22Å; A474-V482 WeakPolarHBondContact O-CG2 3.27Å; A474-V482 PolarHBondContact O-N 3.33Å; V482-E485 HydrophobicContact CB-CB 4.18Å; V482-E485 HydrophobicContact CG2-CB 4.3Å
483	W	94.7	Very high	91.5	Very high	124 Å²	124	52.7 Å²	52.7	47%	0.47	27%	0.274	S	S	.	.	S	Bend	trans	-131	136.3	178.5	-72.2	81.3	0	0	0	109.4	E485 I531 P533	W483-E485 PolarHBondContact O-N 3.4Å; W483-I531 HydrophobicContact CE3-CB 4.11Å; W483-I531 HydrophobicContact CE3-CG2 3.64Å; W483-I531 HydrophobicContact CH2-CG2 4.06Å; W483-I531 HydrophobicContact CZ3-CB 4.27Å; W483-I531 HydrophobicContact CZ3-CG2 3.34Å; W483-P533 HydrophobicContact CB-CB 4.43Å
484	G	83.9	Confident	91.5	Very high	19 Å²	19	50.1 Å²	50.1	20%	0.196	26%	0.262	C	S	.	.	S	Bend	trans	72.2	2.2	-175.5	0	0	0	0	0	114.3	K530 I531	G484-K530 VanDerWaalsContact C-CE 3.45Å; G484-K530 WeakPolarHBondContact O-CD 3.41Å; G484-K530 WeakPolarHBondContact O-CE 3.36Å; G484-K530 PolarHBondContact O-NZ 2.9Å; G484-I531 PolarHBondContact N-O 3.26Å
485	E	82.3	Confident	91.6	Very high	122 Å²	122	50 Å²	50	57%	0.57	26%	0.261	S	S	*	.	S	Bend	trans	-122.5	164.2	-180	-63.7	176.4	-145.6	0	0	110.6	V482 W483 K530	V482-E485 HydrophobicContact CB-CB 4.18Å; V482-E485 HydrophobicContact CG2-CB 4.3Å; W483-E485 PolarHBondContact O-N 3.4Å; E485-K530 WeakPolarHBondContact O-CA 3.38Å; E485-K530 WeakPolarHBondContact O-CB 3.15Å
486	S	82.4	Confident	91.7	Very high	69 Å²	69	48.3 Å²	48.3	48%	0.483	26%	0.255	S	S	.	.			trans	-74.7	128.9	174.3	178.8	0	0	0	0	109.9	L541	S486-L541 VanDerWaalsContact OG-CD1 3.3Å; S486-L541 WeakPolarHBondContact OG-CD1 3.49Å
487	G	85.4	Confident	92.2	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	161.3	175.4	0	0	0	0	0	112.5	W475 Y528 C529	W475-G487 CarbonylContact O-C 3.48Å; W475-G487 WeakPolarHBondContact O-CA 3.45Å; G487-Y528 WeakPolarHBondContact O-CA 3.35Å; G487-Y528 WeakPolarHBondContact O-CD1 3.26Å; G487-C529 PolarHBondContact N-O 2.86Å; G487-C529 PolarHBondContact O-N 3.32Å; G487-C529 VanDerWaalsContact O-O 3.13Å
488	E	90.3	Very high	92.9	Very high	14 Å²	14	42.3 Å²	42.3	7%	0.065	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.3	173	-177.8	67.6	-161.5	0	0	109.5	A474 W475 V490 F519 A524 G526 D527 S544	A474-E488 CarbonylContact C-O 3.5Å; A474-E488 WeakPolarHBondContact CA-O 3.39Å; W475-E488 PolarHBondContact N-O 2.83Å; W475-E488 PolarHBondContact O-N 2.87Å; E488-V490 HydrophobicContact CG-CG1 4.22Å; E488-V490 PolarHBondContact O-N 3.27Å; E488-F519 HydrophobicContact CB-CE2 3.99Å; E488-F519 HydrophobicContact CB-CZ 4.46Å; E488-F519 HydrophobicContact CG-CE2 3.87Å; E488-A524 HydrophobicContact CG-CB 4.31Å; E488-G526 WeakPolarHBondContact OE1-CA 3.37Å; E488-G526 PolarHBondContact OE1-N 2.9Å; E488-D527 PolarHBondContact OE1-N 2.9Å; E488-S544 VanDerWaalsContact CD-OG 3.28Å; E488-S544 PolarHBondContact OE1-OG 2.94Å; E488-S544 WeakPolarHBondContact OE2-CB 3.28Å; E488-S544 PolarHBondContact OE2-OG 2.98Å
489	L	94.8	Very high	93.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	115.9	174	-172	163.9	0	0	0	109	F449 M450 V472 H525 D527 M540	F449-L489 HydrophobicContact CD2-CD2 4.08Å; F449-L489 HydrophobicContact CE2-CD2 4.35Å; F449-L489 HydrophobicContact CG-CD2 4.33Å; M450-L489 HydrophobicContact CE-CD1 3.41Å; M450-L489 VanDerWaalsContact CE-CD1 3.41Å; M450-L489 HydrophobicContact CE-CG 4.2Å; M450-L489 HydrophobicContact SD-CD1 4.25Å; V472-L489 HydrophobicContact CG1-CD2 4.49Å; V472-L489 HydrophobicContact CG1-CG 4.38Å; L489-H525 HydrophobicContact CB-CB 4.4Å; L489-H525 HydrophobicContact CD2-CB 3.59Å; L489-H525 HydrophobicContact CG-CB 4.48Å; L489-H525 WeakPolarHBondContact O-CB 3.3Å; L489-H525 PolarHBondContact O-N 2.85Å; L489-D527 HydrophobicContact CB-CB 4.19Å; L489-D527 WeakPolarHBondContact CB-O 3.36Å; L489-D527 HydrophobicContact CD1-CB 4.35Å; L489-D527 PolarHBondContact N-O 3.13Å; L489-M540 HydrophobicContact CD1-CE 3.8Å; L489-M540 HydrophobicContact CD1-SD 4.28Å
490	V	97.6	Very high	93.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	155.7	178.5	-61	0	0	0	0	112.2	V472 E473 W475 E488 L492 F519 V522 W523	V472-V490 VanDerWaalsContact CA-O 3.29Å; V472-V490 WeakPolarHBondContact CA-O 3.5Å; E473-V490 HydrophobicContact CB-CG2 3.85Å; E473-V490 PolarHBondContact N-O 2.87Å; E473-V490 VanDerWaalsContact N-O 3.09Å; E473-V490 PolarHBondContact O-N 3.21Å; W475-V490 HydrophobicContact CB-CG1 4.23Å; W475-V490 HydrophobicContact CB-CG2 4.38Å; W475-V490 HydrophobicContact CD2-CG1 4.29Å; W475-V490 HydrophobicContact CD2-CG2 3.88Å; W475-V490 HydrophobicContact CE3-CG1 4.42Å; W475-V490 HydrophobicContact CG-CG1 4.21Å; W475-V490 HydrophobicContact CG-CG2 3.69Å; E488-V490 HydrophobicContact CG-CG1 4.22Å; E488-V490 PolarHBondContact O-N 3.27Å; V490-L492 HydrophobicContact CG2-CD2 3.9Å; V490-F519 HydrophobicContact CG1-CD2 3.67Å; V490-F519 HydrophobicContact CG1-CE2 3.78Å; V490-V522 HydrophobicContact CB-CG1 3.7Å; V490-V522 HydrophobicContact CG1-CG1 4.04Å; V490-V522 HydrophobicContact CG2-CG1 4.3Å; V490-W523 CarbonylContact C-O 3.49Å; V490-W523 WeakPolarHBondContact CA-O 3.31Å; V490-W523 WeakPolarHBondContact CB-O 3.2Å
491	C	98	Very high	93.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.5	167.6	-168.3	0	0	0	0	110.2	F449 A471 W523	F449-C491 HydrophobicContact CD1-CB 4.48Å; F449-C491 HydrophobicContact CE1-CB 3.75Å; F449-C491 HydrophobicContact CZ-CB 4.42Å; A471-C491 WeakPolarHBondContact O-CA 3.31Å; C491-W523 HydrophobicContact CB-CB 4.13Å; C491-W523 HydrophobicContact CB-CG 4.44Å; C491-W523 PolarHBondContact N-O 2.88Å; C491-W523 WeakPolarHBondContact O-CB 3.24Å; C491-W523 PolarHBondContact O-N 2.88Å; C491-W523 VanDerWaalsContact O-N 3.13Å
492	L	97.8	Very high	93.7	Very high	49 Å²	49	30.1 Å²	30.1	26%	0.257	15%	0.153	S	C	.	.			trans	-89.7	-25.2	-168	-54.9	-169.9	0	0	0	114.4	A471 E473 W475 V490 V522	A471-L492 HydrophobicContact CB-CB 4.13Å; A471-L492 PolarHBondContact O-N 2.82Å; E473-L492 HydrophobicContact CG-CD1 4.22Å; W475-L492 HydrophobicContact CH2-CD2 4.16Å; W475-L492 HydrophobicContact CZ2-CD2 3.51Å; V490-L492 HydrophobicContact CG2-CD2 3.9Å; L492-V522 HydrophobicContact CD2-CG1 3.66Å; L492-V522 HydrophobicContact CD2-CG2 4.08Å
493	K	97.6	Very high	93.8	Very high	88 Å²	88	31.3 Å²	31.3	38%	0.383	16%	0.155	S	C	.	.	S	Bend	trans	-115.9	147.9	-171.9	-60.1	-63.2	-174.8	177.2	0	110.4	Y60 I89 A471	Y60-K493 HydrophobicContact CE1-CD 4.4Å; I89-K493 VanDerWaalsContact CD1-O 3.27Å; I89-K493 WeakPolarHBondContact CD1-O 3.24Å; A471-K493 HydrophobicContact CB-CB 3.8Å; A471-K493 HydrophobicContact CB-CG 3.52Å
494	P	97.1	Very high	93.6	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.019	16%	0.156	C	C	.	.			trans	-52.3	147	172	-20.4	28.6	0	0	0	111.2	I89 P93 W95	I89-P494 HydrophobicContact CB-CG 4.37Å; P93-P494 HydrophobicContact CG-CB 3.57Å; P93-P494 HydrophobicContact CG-CG 3.82Å; W95-P494 HydrophobicContact CZ2-CB 3.81Å; W95-P494 WeakPolarHBondContact CZ2-O 3.45Å
495	I	97.2	Very high	94.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.			trans	-131.4	142.9	176.7	54.2	178.4	0	0	0	109.8	W95 I445 F449 M470 C497 Q498	W95-I495 PolarHBondContact NE1-O 2.84Å; I445-I495 HydrophobicContact CG2-CD1 3.95Å; F449-I495 HydrophobicContact CE1-CD1 4.11Å; M470-I495 HydrophobicContact CE-CB 4.47Å; M470-I495 HydrophobicContact CE-CD1 3.56Å; M470-I495 HydrophobicContact CE-CG2 4.06Å; M470-I495 HydrophobicContact SD-CB 4.41Å; M470-I495 HydrophobicContact SD-CG2 3.83Å; I495-C497 PolarHBondContact O-N 2.79Å; I495-C497 VanDerWaalsContact O-N 3.17Å; I495-Q498 HydrophobicContact CD1-CB 4.36Å; I495-Q498 HydrophobicContact CG1-CB 3.82Å; I495-Q498 HydrophobicContact CG1-CG 4.49Å; I495-Q498 VanDerWaalsContact N-OE1 3.17Å; I495-Q498 VanDerWaalsContact O-CG 3.32Å; I495-Q498 WeakPolarHBondContact O-CG 3.14Å; I495-Q498 PolarHBondContact O-N 3.11Å; I495-Q498 PolarHBondContact O-OE1 2.99Å
496	P	97.8	Very high	94.4	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.019	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.5	-176.7	-24	32.3	0	0	0	114.2	W64 W95 F285 G310 I313	W64-P496 HydrophobicContact CD2-CG 3.58Å; W64-P496 HydrophobicContact CE3-CG 3.92Å; W64-P496 HydrophobicContact CG-CG 4.05Å; W64-P496 HydrophobicContact CH2-CG 4.21Å; W64-P496 VanDerWaalsContact CZ2-CD 3.45Å; W64-P496 HydrophobicContact CZ2-CG 3.88Å; W64-P496 HydrophobicContact CZ3-CG 4.22Å; W95-P496 HydrophobicContact CD2-CB 4.14Å; W95-P496 HydrophobicContact CD2-CG 3.86Å; W95-P496 HydrophobicContact CE3-CB 4.48Å; W95-P496 HydrophobicContact CE3-CG 3.82Å; W95-P496 HydrophobicContact CG-CB 4.27Å; W95-P496 HydrophobicContact CG-CG 4.49Å; W95-P496 HydrophobicContact CH2-CG 4.03Å; W95-P496 HydrophobicContact CZ2-CG 4.09Å; W95-P496 HydrophobicContact CZ3-CG 3.91Å; F285-P496 HydrophobicContact CE1-CB 4.34Å; F285-P496 HydrophobicContact CZ-CB 4.23Å; G310-P496 WeakPolarHBondContact CA-O 3.46Å; I313-P496 HydrophobicContact CG2-CB 3.84Å; I313-P496 HydrophobicContact CG2-CG 4.22Å
497	C	96.4	Very high	94.7	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.4	-175.7	64.3	0	0	0	0	115	Q314 I445 I495	Q314-C497 HydrophobicContact CB-CB 3.71Å; Q314-C497 HydrophobicContact CG-CB 3.66Å; I445-C497 WeakPolarHBondContact O-CB 3.36Å; I495-C497 PolarHBondContact O-N 2.79Å; I495-C497 VanDerWaalsContact O-N 3.17Å
498	Q	95.9	Very high	95.1	Very high	7 Å²	7	37.5 Å²	37.5	3%	0.033	19%	0.191	C	C	.	.	S	Bend	trans	-59.3	147.2	173.2	71.7	-172.9	67.6	0	0	109.8	I89 I495 T500 W523	I89-Q498 PolarHBondContact O-NE2 3.2Å; I495-Q498 HydrophobicContact CD1-CB 4.36Å; I495-Q498 HydrophobicContact CG1-CB 3.82Å; I495-Q498 HydrophobicContact CG1-CG 4.49Å; I495-Q498 VanDerWaalsContact N-OE1 3.17Å; I495-Q498 VanDerWaalsContact O-CG 3.32Å; I495-Q498 WeakPolarHBondContact O-CG 3.14Å; I495-Q498 PolarHBondContact O-N 3.11Å; I495-Q498 PolarHBondContact O-OE1 2.99Å; Q498-T500 PolarHBondContact O-N 3.37Å; Q498-W523 HydrophobicContact CB-CZ3 4.11Å
499	P	96.9	Very high	95.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.208	C	C	.	.			trans	-54.7	135.6	177.1	-24.7	34.6	0	0	0	110	M304 V305 D444 H501 Y511 W523	M304-P499 HydrophobicContact CB-CB 4.41Å; M304-P499 HydrophobicContact CB-CG 4.29Å; V305-P499 CarbonylContact O-C 3.5Å; V305-P499 WeakPolarHBondContact O-CA 3.24Å; D444-P499 WeakPolarHBondContact O-CD 3.45Å; D444-P499 WeakPolarHBondContact O-CG 3.46Å; P499-H501 PolarHBondContact O-N 3.48Å; P499-Y511 HydrophobicContact CB-CE1 4.45Å; P499-Y511 HydrophobicContact CB-CE2 4.42Å; P499-Y511 WeakPolarHBondContact CD-OH 3.49Å; P499-Y511 HydrophobicContact CG-CE2 4.42Å; P499-Y511 WeakPolarHBondContact O-CE1 3.44Å; P499-Y511 PolarHBondContact O-OH 2.76Å; P499-W523 HydrophobicContact CG-CH2 4.4Å
500	T	95.8	Very high	95	Very high	36 Å²	36	45 Å²	45	22%	0.221	23%	0.231	C	C	.	.	S	Bend	trans	-66.8	-34.1	174.6	55.4	0	0	0	0	110.9	N286 V305 Q498	N286-T500 HydrophobicContact CB-CG2 4.47Å; V305-T500 PolarHBondContact O-N 3.08Å; V305-T500 PolarHBondContact O-OG1 2.62Å; V305-T500 VanDerWaalsContact O-OG1 3.09Å; Q498-T500 PolarHBondContact O-N 3.37Å
501	H	96.2	Very high	94.8	Very high	73 Å²	73	45.5 Å²	45.5	34%	0.338	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	174.3	175.7	57.4	-68.2	0	0	0	109.8	V305 P499	V305-H501 PolarHBondContact N-O 3.27Å; P499-H501 PolarHBondContact O-N 3.48Å
502	F	96.3	Very high	94.6	Very high	4 Å²	4	50 Å²	50	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	135.5	160.6	-73.2	3	0	0	0	109.9	K302 C303 M304 D505 K510 Y511 A514 Y515	K302-F502 HydrophobicContact CB-CD2 4.28Å; K302-F502 HydrophobicContact CB-CE2 3.88Å; K302-F502 HydrophobicContact CB-CZ 4.15Å; K302-F502 HydrophobicContact CD-CE2 3.76Å; K302-F502 HydrophobicContact CD-CZ 3.99Å; K302-F502 HydrophobicContact CG-CD2 4.5Å; K302-F502 HydrophobicContact CG-CE2 3.89Å; K302-F502 HydrophobicContact CG-CZ 4.42Å; C303-F502 CarbonylContact O-C 3.46Å; C303-F502 WeakPolarHBondContact O-CA 3.47Å; M304-F502 HydrophobicContact CB-CD1 4.4Å; M304-F502 HydrophobicContact CB-CE1 4.31Å; M304-F502 HydrophobicContact CG-CD1 3.88Å; M304-F502 HydrophobicContact CG-CE1 3.47Å; M304-F502 VanDerWaalsContact CG-CE1 3.47Å; M304-F502 HydrophobicContact CG-CZ 4.13Å; M304-F502 HydrophobicContact SD-CE1 4.11Å; M304-F502 HydrophobicContact SD-CZ 4.43Å; F502-D505 HydrophobicContact CB-CB 3.71Å; F502-D505 WeakPolarHBondContact O-CB 3.41Å; F502-D505 PolarHBondContact O-N 2.88Å; F502-K510 HydrophobicContact CD2-CB 3.9Å; F502-K510 HydrophobicContact CE2-CB 4.4Å; F502-Y511 HydrophobicContact CD1-CD2 4.08Å; F502-Y511 HydrophobicContact CD1-CG 4.06Å; F502-Y511 AromaticContact CE1-CD2 3.63Å; F502-Y511 HydrophobicContact CE1-CD2 3.63Å; F502-Y511 HydrophobicContact CE1-CE2 4.23Å; F502-Y511 HydrophobicContact CE1-CG 4.09Å; F502-Y511 HydrophobicContact CG-CG 4.41Å; F502-Y511 AromaticContact CZ-CD2 3.94Å; F502-Y511 HydrophobicContact CZ-CD2 3.94Å; F502-A514 HydrophobicContact CE2-CB 4.15Å; F502-A514 HydrophobicContact CZ-CB 4.14Å; F502-Y515 AromaticContact CE1-CE2 3.88Å; F502-Y515 HydrophobicContact CE1-CE2 3.88Å; F502-Y515 AromaticContact CZ-CE2 3.52Å; F502-Y515 HydrophobicContact CZ-CE2 3.52Å
503	W	95.4	Very high	94.2	Very high	44 Å²	44	53.7 Å²	53.7	17%	0.167	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	140.6	173.2	-159.1	-86.9	0	0	0	109.8	I181 I201 I291 C303 V305 D505	I181-W503 HydrophobicContact CD1-CH2 3.89Å; I181-W503 HydrophobicContact CD1-CZ3 3.7Å; I201-W503 HydrophobicContact CG2-CD2 4.49Å; I201-W503 HydrophobicContact CG2-CG 4.09Å; I291-W503 HydrophobicContact CD1-CD2 3.79Å; I291-W503 HydrophobicContact CD1-CE3 3.44Å; I291-W503 VanDerWaalsContact CD1-CE3 3.44Å; I291-W503 HydrophobicContact CD1-CG 4.39Å; I291-W503 HydrophobicContact CD1-CH2 4.43Å; I291-W503 HydrophobicContact CD1-CZ3 3.79Å; I291-W503 HydrophobicContact CG1-CE3 4.26Å; C303-W503 HydrophobicContact CB-CB 3.55Å; C303-W503 PolarHBondContact O-N 2.81Å; V305-W503 HydrophobicContact CG2-CB 4.15Å; V305-W503 HydrophobicContact CG2-CE3 3.76Å; W503-D505 VanDerWaalsContact C-N 3.29Å; W503-D505 PolarHBondContact O-N 2.81Å
504	N	90.7	Very high	93.8	Very high	89 Å²	89	50.8 Å²	50.8	48%	0.476	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	43.6	-173.6	-57.4	-18.6	0	0	0	113.8	Q200 K510	Q200-N504 PolarHBondContact O-ND2 2.76Å; N504-K510 PolarHBondContact O-NZ 3.14Å
505	D	93.4	Very high	93.7	Very high	16 Å²	16	50.9 Å²	50.9	9%	0.086	26%	0.261	C	S	.	.			trans	-130.1	65.5	172.4	-169.7	31.5	0	0	0	109.8	F502 W503 N507 G508 S509 K510 Y511	F502-D505 HydrophobicContact CB-CB 3.71Å; F502-D505 WeakPolarHBondContact O-CB 3.41Å; F502-D505 PolarHBondContact O-N 2.88Å; W503-D505 VanDerWaalsContact C-N 3.29Å; W503-D505 PolarHBondContact O-N 2.81Å; D505-N507 PolarHBondContact O-N 3.15Å; D505-G508 PolarHBondContact O-N 2.81Å; D505-G508 VanDerWaalsContact OD2-CA 3.23Å; D505-G508 WeakPolarHBondContact OD2-CA 3.24Å; D505-S509 PolarHBondContact OD1-N 3.39Å; D505-S509 PolarHBondContact OD2-N 2.86Å; D505-K510 HydrophobicContact CB-CB 4.49Å; D505-K510 HydrophobicContact CB-CD 4.29Å; D505-K510 WeakPolarHBondContact OD1-CG 3.22Å; D505-K510 PolarHBondContact OD1-N 3.21Å; D505-K510 WeakPolarHBondContact OD2-CA 3.47Å; D505-K510 WeakPolarHBondContact OD2-CB 3.42Å; D505-K510 PolarHBondContact OD2-N 2.76Å; D505-Y511 PolarHBondContact OD2-N 3.46Å
506	E	88.6	Confident	93.6	Very high	205 Å²	205	51.1 Å²	51.1	96%	0.958	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-32.4	-169.1	-66.1	-179.1	172.5	0	0	114.6
507	N	90.6	Very high	93.3	Very high	125 Å²	125	54.2 Å²	54.2	67%	0.668	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	5.4	179.7	66.7	3.9	0	0	0	113.8	D505 S509	D505-N507 PolarHBondContact O-N 3.15Å; N507-S509 PolarHBondContact O-N 2.97Å; N507-S509 VanDerWaalsContact O-N 3.13Å; N507-S509 WeakPolarHBondContact OD1-CB 3.25Å; N507-S509 PolarHBondContact OD1-N 2.92Å; N507-S509 PolarHBondContact OD1-OG 2.85Å
508	G	91.9	Very high	93	Very high	29 Å²	29	58 Å²	58	30%	0.299	31%	0.307	S	S	.	.	S	Bend	trans	64.2	12.4	-177.6	0	0	0	0	0	114.6	D505 K510 Y511 H512	D505-G508 PolarHBondContact O-N 2.81Å; D505-G508 VanDerWaalsContact OD2-CA 3.23Å; D505-G508 WeakPolarHBondContact OD2-CA 3.24Å; G508-K510 PolarHBondContact O-N 3.14Å; G508-Y511 PolarHBondContact O-N 3.36Å; G508-H512 WeakPolarHBondContact O-CB 3.29Å; G508-H512 PolarHBondContact O-N 2.76Å
509	S	92.1	Very high	92.9	Very high	58 Å²	58	58.8 Å²	58.8	41%	0.406	31%	0.31	S	S	.	.	H	α-helix	trans	-69.2	-35.7	-172.4	64.7	0	0	0	0	112.6	D505 N507 K513	D505-S509 PolarHBondContact OD1-N 3.39Å; D505-S509 PolarHBondContact OD2-N 2.86Å; N507-S509 PolarHBondContact O-N 2.97Å; N507-S509 VanDerWaalsContact O-N 3.13Å; N507-S509 WeakPolarHBondContact OD1-CB 3.25Å; N507-S509 PolarHBondContact OD1-N 2.92Å; N507-S509 PolarHBondContact OD1-OG 2.85Å; S509-K513 WeakPolarHBondContact O-CB 3.15Å; S509-K513 PolarHBondContact O-N 3.3Å
510	K	91.1	Very high	92.8	Very high	113 Å²	113	64.3 Å²	64.3	49%	0.491	35%	0.346	S	S	.	.	H	α-helix	trans	-68.6	-42.2	175.8	-61	170.3	-174.3	163.8	0	110	F502 N504 D505 G508 A514	F502-K510 HydrophobicContact CD2-CB 3.9Å; F502-K510 HydrophobicContact CE2-CB 4.4Å; N504-K510 PolarHBondContact O-NZ 3.14Å; D505-K510 HydrophobicContact CB-CB 4.49Å; D505-K510 HydrophobicContact CB-CD 4.29Å; D505-K510 WeakPolarHBondContact OD1-CG 3.22Å; D505-K510 PolarHBondContact OD1-N 3.21Å; D505-K510 WeakPolarHBondContact OD2-CA 3.47Å; D505-K510 WeakPolarHBondContact OD2-CB 3.42Å; D505-K510 PolarHBondContact OD2-N 2.76Å; G508-K510 PolarHBondContact O-N 3.14Å; K510-A514 VanDerWaalsContact O-CB 3.31Å; K510-A514 WeakPolarHBondContact O-CB 3.35Å; K510-A514 PolarHBondContact O-N 3.06Å
511	Y	93.4	Very high	92.6	Very high	11 Å²	11	63.1 Å²	63.1	4%	0.043	34%	0.341	C	S	.	.	H	α-helix	trans	-63.7	-48.6	176.8	-174.3	-162.4	0	0	0	111	V92 P499 F502 D505 G508 K513 A514 Y515 F516 W523	V92-Y511 HydrophobicContact CG2-CE1 3.78Å; P499-Y511 HydrophobicContact CB-CE1 4.45Å; P499-Y511 HydrophobicContact CB-CE2 4.42Å; P499-Y511 WeakPolarHBondContact CD-OH 3.49Å; P499-Y511 HydrophobicContact CG-CE2 4.42Å; P499-Y511 WeakPolarHBondContact O-CE1 3.44Å; P499-Y511 PolarHBondContact O-OH 2.76Å; F502-Y511 HydrophobicContact CD1-CD2 4.08Å; F502-Y511 HydrophobicContact CD1-CG 4.06Å; F502-Y511 AromaticContact CE1-CD2 3.63Å; F502-Y511 HydrophobicContact CE1-CD2 3.63Å; F502-Y511 HydrophobicContact CE1-CE2 4.23Å; F502-Y511 HydrophobicContact CE1-CG 4.09Å; F502-Y511 HydrophobicContact CG-CG 4.41Å; F502-Y511 AromaticContact CZ-CD2 3.94Å; F502-Y511 HydrophobicContact CZ-CD2 3.94Å; D505-Y511 PolarHBondContact OD2-N 3.46Å; G508-Y511 PolarHBondContact O-N 3.36Å; Y511-K513 PolarHBondContact O-N 3.29Å; Y511-A514 WeakPolarHBondContact O-CB 3.25Å; Y511-A514 PolarHBondContact O-N 3.04Å; Y511-A514 VanDerWaalsContact O-N 3.09Å; Y511-Y515 AromaticContact CD2-CD2 3.38Å; Y511-Y515 HydrophobicContact CD2-CD2 3.38Å; Y511-Y515 AromaticContact CD2-CE2 3.46Å; Y511-Y515 HydrophobicContact CD2-CE2 3.46Å; Y511-Y515 VanDerWaalsContact CD2-CE2 3.46Å; Y511-Y515 AromaticContact CE2-CD2 3.32Å; Y511-Y515 HydrophobicContact CE2-CD2 3.32Å; Y511-Y515 AromaticContact CE2-CE2 3.47Å; Y511-Y515 HydrophobicContact CE2-CE2 3.47Å; Y511-Y515 VanDerWaalsContact CE2-CE2 3.47Å; Y511-Y515 HydrophobicContact CE2-CG 4.49Å; Y511-Y515 WeakPolarHBondContact O-CD2 3.18Å; Y511-Y515 PolarHBondContact O-N 2.9Å; Y511-F516 HydrophobicContact CE2-CE2 4.46Å; Y511-W523 HydrophobicContact CE2-CH2 4.16Å; Y511-W523 AromaticContact CE2-CZ3 3.88Å; Y511-W523 HydrophobicContact CE2-CZ3 3.88Å; Y511-W523 WeakPolarHBondContact OH-CZ3 3.35Å
512	H	94.2	Very high	92.6	Very high	95 Å²	95	60.4 Å²	60.4	44%	0.44	33%	0.329	S	S	.	.	H	α-helix	trans	-61	-45.7	178.7	-175.4	-74.2	0	0	0	112.5	G508 A514 Y515 F516 S517	G508-H512 WeakPolarHBondContact O-CB 3.29Å; G508-H512 PolarHBondContact O-N 2.76Å; H512-A514 PolarHBondContact O-N 3.11Å; H512-Y515 PolarHBondContact O-N 3.04Å; H512-F516 WeakPolarHBondContact O-CA 3.49Å; H512-F516 PolarHBondContact O-N 3.35Å; H512-S517 PolarHBondContact O-N 3.35Å
513	K	90.7	Very high	92.7	Very high	126 Å²	126	60.2 Å²	60.2	55%	0.548	33%	0.329	S	S	.	.	H	α-helix	trans	-64.1	-27.9	176.7	-175.5	-178.9	176.1	-171.4	0	112.7	S509 Y511 S517	S509-K513 WeakPolarHBondContact O-CB 3.15Å; S509-K513 PolarHBondContact O-N 3.3Å; Y511-K513 PolarHBondContact O-N 3.29Å; K513-S517 PolarHBondContact O-OG 3.34Å
514	A	89.1	Confident	92.7	Very high	28 Å²	28	58.3 Å²	58.3	23%	0.231	32%	0.322	C	S	.	.	H	α-helix	trans	-72.3	-35.4	-178.5	0	0	0	0	0	112.9	F502 K510 Y511 H512	F502-A514 HydrophobicContact CE2-CB 4.15Å; F502-A514 HydrophobicContact CZ-CB 4.14Å; K510-A514 VanDerWaalsContact O-CB 3.31Å; K510-A514 WeakPolarHBondContact O-CB 3.35Å; K510-A514 PolarHBondContact O-N 3.06Å; Y511-A514 WeakPolarHBondContact O-CB 3.25Å; Y511-A514 PolarHBondContact O-N 3.04Å; Y511-A514 VanDerWaalsContact O-N 3.09Å; H512-A514 PolarHBondContact O-N 3.11Å
515	Y	93.6	Very high	92.7	Very high	5 Å²	5	54.4 Å²	54.4	2%	0.02	30%	0.301	C	S	.	.	H	α-helix	trans	-130.9	-17.2	-169.9	-48.9	-73.3	0	0	0	115.4	M304 D444 F502 Y511 H512 V522 W523 A524	M304-Y515 PolarHBondContact SD-OH 2.66Å; D444-Y515 HydrophobicContact CB-CE1 4.34Å; D444-Y515 VanDerWaalsContact OD1-CE1 3.27Å; D444-Y515 WeakPolarHBondContact OD1-CE1 3.28Å; D444-Y515 VanDerWaalsContact OD1-CZ 3.28Å; D444-Y515 PolarHBondContact OD1-OH 3.33Å; F502-Y515 AromaticContact CE1-CE2 3.88Å; F502-Y515 HydrophobicContact CE1-CE2 3.88Å; F502-Y515 AromaticContact CZ-CE2 3.52Å; F502-Y515 HydrophobicContact CZ-CE2 3.52Å; Y511-Y515 AromaticContact CD2-CD2 3.38Å; Y511-Y515 HydrophobicContact CD2-CD2 3.38Å; Y511-Y515 AromaticContact CD2-CE2 3.46Å; Y511-Y515 HydrophobicContact CD2-CE2 3.46Å; Y511-Y515 VanDerWaalsContact CD2-CE2 3.46Å; Y511-Y515 AromaticContact CE2-CD2 3.32Å; Y511-Y515 HydrophobicContact CE2-CD2 3.32Å; Y511-Y515 AromaticContact CE2-CE2 3.47Å; Y511-Y515 HydrophobicContact CE2-CE2 3.47Å; Y511-Y515 VanDerWaalsContact CE2-CE2 3.47Å; Y511-Y515 HydrophobicContact CE2-CG 4.49Å; Y511-Y515 WeakPolarHBondContact O-CD2 3.18Å; Y511-Y515 PolarHBondContact O-N 2.9Å; H512-Y515 PolarHBondContact O-N 3.04Å; Y515-V522 VanDerWaalsContact O-O 3.08Å; Y515-W523 HydrophobicContact CD1-CD2 4.3Å; Y515-W523 AromaticContact CD1-CE2 3.63Å; Y515-W523 HydrophobicContact CD1-CH2 4.08Å; Y515-W523 AromaticContact CD1-CZ2 3.5Å; Y515-W523 HydrophobicContact CD1-CZ2 3.5Å; Y515-W523 VanDerWaalsContact CD1-CZ2 3.5Å; Y515-W523 AromaticContact CD1-NE1 3.99Å; Y515-W523 AromaticContact CD2-CH2 3.86Å; Y515-W523 HydrophobicContact CD2-CH2 3.86Å; Y515-W523 HydrophobicContact CD2-CZ2 4.14Å; Y515-W523 HydrophobicContact CD2-CZ3 4.11Å; Y515-W523 HydrophobicContact CE1-CH2 4.16Å; Y515-W523 AromaticContact CE1-CZ2 3.61Å; Y515-W523 HydrophobicContact CE1-CZ2 3.61Å; Y515-W523 AromaticContact CE2-CH2 3.92Å; Y515-W523 HydrophobicContact CE2-CH2 3.92Å; Y515-W523 HydrophobicContact CE2-CZ2 4.22Å; Y515-W523 HydrophobicContact CG-CD2 4.12Å; Y515-W523 AromaticContact CG-CE2 3.88Å; Y515-W523 HydrophobicContact CG-CE3 4.25Å; Y515-W523 AromaticContact CG-CH2 3.92Å; Y515-W523 HydrophobicContact CG-CH2 3.92Å; Y515-W523 AromaticContact CG-CZ2 3.77Å; Y515-W523 HydrophobicContact CG-CZ2 3.77Å; Y515-W523 HydrophobicContact CG-CZ3 4.17Å; Y515-W523 AromaticContact CZ-CZ2 3.98Å; Y515-A524 PolarHBondContact O-N 3.41Å
516	F	95	Very high	92.4	Very high	4 Å²	4	54 Å²	54	2%	0.018	30%	0.301	C	S	.	.	S	Bend	trans	-117.3	4	-173.1	-54.8	-62	0	0	0	113.7	I89 Y511 H512 V522 W523	I89-F516 HydrophobicContact CB-CE1 4.43Å; I89-F516 HydrophobicContact CG1-CE1 3.99Å; I89-F516 HydrophobicContact CG1-CZ 4.07Å; I89-F516 HydrophobicContact CG2-CE1 3.9Å; Y511-F516 HydrophobicContact CE2-CE2 4.46Å; H512-F516 WeakPolarHBondContact O-CA 3.49Å; H512-F516 PolarHBondContact O-N 3.35Å; F516-V522 WeakPolarHBondContact CD1-O 3.32Å; F516-W523 HydrophobicContact CE1-CB 4Å; F516-W523 HydrophobicContact CE1-CE3 4.18Å; F516-W523 AromaticContact CZ-CE3 3.8Å; F516-W523 HydrophobicContact CZ-CE3 3.8Å; F516-W523 HydrophobicContact CZ-CZ3 4.4Å
517	S	91.5	Very high	92.2	Very high	69 Å²	69	45 Å²	45	48%	0.483	26%	0.259	S	S	.	.	S	Bend	trans	-81.9	-28.7	179.4	60.7	0	0	0	0	114.2	H512 K513	H512-S517 PolarHBondContact O-N 3.35Å; K513-S517 PolarHBondContact O-OG 3.34Å
518	T	90.3	Very high	91.7	Very high	82 Å²	82	43.2 Å²	43.2	50%	0.503	24%	0.243	S	C	.	.	S	Bend	trans	-74	-47.8	-178.6	-51.3	0	0	0	0	110.4
519	F	94.6	Very high	91.4	Very high	22 Å²	22	41.8 Å²	41.8	10%	0.096	23%	0.229	C	C	.	.	S	Bend	trans	-129.2	110.9	179.3	-58	-55.9	0	0	0	109.1	W475 E488 V490 G521 V522 A524	W475-F519 HydrophobicContact CB-CE2 4.16Å; W475-F519 HydrophobicContact CB-CZ 4.2Å; W475-F519 HydrophobicContact CE3-CB 4.23Å; W475-F519 AromaticContact CE3-CD1 3.87Å; W475-F519 HydrophobicContact CE3-CD1 3.87Å; W475-F519 AromaticContact CE3-CD2 3.79Å; W475-F519 HydrophobicContact CE3-CD2 3.79Å; W475-F519 HydrophobicContact CE3-CE1 4.16Å; W475-F519 HydrophobicContact CE3-CE2 4.05Å; W475-F519 AromaticContact CE3-CG 3.69Å; W475-F519 HydrophobicContact CE3-CG 3.69Å; W475-F519 HydrophobicContact CE3-CZ 4.23Å; W475-F519 HydrophobicContact CZ3-CB 3.92Å; W475-F519 HydrophobicContact CZ3-CD1 4.13Å; W475-F519 HydrophobicContact CZ3-CD2 4.35Å; W475-F519 AromaticContact CZ3-CG 3.88Å; W475-F519 HydrophobicContact CZ3-CG 3.88Å; E488-F519 HydrophobicContact CB-CE2 3.99Å; E488-F519 HydrophobicContact CB-CZ 4.46Å; E488-F519 HydrophobicContact CG-CE2 3.87Å; V490-F519 HydrophobicContact CG1-CD2 3.67Å; V490-F519 HydrophobicContact CG1-CE2 3.78Å; F519-G521 PolarHBondContact O-N 3.11Å; F519-V522 HydrophobicContact CB-CB 3.89Å; F519-V522 HydrophobicContact CB-CG1 4.31Å; F519-V522 PolarHBondContact O-N 3.22Å; F519-V522 VanDerWaalsContact O-N 3.07Å; F519-V522 VanDerWaalsContact O-O 3.09Å; F519-A524 HydrophobicContact CD2-CB 4.12Å
520	P	93.4	Very high	91.1	Very high	116 Å²	116	41.7 Å²	41.7	75%	0.753	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	123.8	-177	-28.3	35.5	0	0	0	112.6	V522	P520-V522 VanDerWaalsContact C-N 3.26Å; P520-V522 PolarHBondContact O-N 3.48Å
521	G	93.1	Very high	91.2	Very high	11 Å²	11	36.4 Å²	36.4	11%	0.113	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	4.6	178	0	0	0	0	0	115.4	I89 F519	I89-G521 VanDerWaalsContact CG2-O 3.26Å; I89-G521 WeakPolarHBondContact CG2-O 3.24Å; F519-G521 PolarHBondContact O-N 3.11Å
522	V	96.7	Very high	91.1	Very high	17 Å²	17	37 Å²	37	10%	0.103	20%	0.203	C	C	.	.	S	Bend	trans	-122.5	134.4	-179.1	171.4	0	0	0	0	109.4	W475 V490 L492 Y515 F516 F519 P520 A524	W475-V522 HydrophobicContact CH2-CB 4.43Å; W475-V522 HydrophobicContact CH2-CG1 4.31Å; W475-V522 HydrophobicContact CH2-CG2 3.74Å; W475-V522 HydrophobicContact CZ3-CB 4.39Å; W475-V522 HydrophobicContact CZ3-CG1 4.26Å; W475-V522 HydrophobicContact CZ3-CG2 4.11Å; V490-V522 HydrophobicContact CB-CG1 3.7Å; V490-V522 HydrophobicContact CG1-CG1 4.04Å; V490-V522 HydrophobicContact CG2-CG1 4.3Å; L492-V522 HydrophobicContact CD2-CG1 3.66Å; L492-V522 HydrophobicContact CD2-CG2 4.08Å; Y515-V522 VanDerWaalsContact O-O 3.08Å; F516-V522 WeakPolarHBondContact CD1-O 3.32Å; F519-V522 HydrophobicContact CB-CB 3.89Å; F519-V522 HydrophobicContact CB-CG1 4.31Å; F519-V522 PolarHBondContact O-N 3.22Å; F519-V522 VanDerWaalsContact O-N 3.07Å; F519-V522 VanDerWaalsContact O-O 3.09Å; P520-V522 VanDerWaalsContact C-N 3.26Å; P520-V522 PolarHBondContact O-N 3.48Å; V522-A524 PolarHBondContact O-N 3.22Å
523	W	97.5	Very high	91	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	114	175.2	179.9	-71.4	0	0	0	109.7	I89 D444 I445 F449 V490 C491 Q498 P499 Y511 Y515 F516 H525	I89-W523 HydrophobicContact CD1-CB 3.7Å; I89-W523 HydrophobicContact CD1-CD2 4.48Å; I89-W523 HydrophobicContact CD1-CE3 4.1Å; I89-W523 HydrophobicContact CD1-CG 4.36Å; I89-W523 HydrophobicContact CG1-CB 4.32Å; I89-W523 HydrophobicContact CG1-CE3 4.35Å; D444-W523 HydrophobicContact CB-CZ2 4.12Å; I445-W523 HydrophobicContact CG2-CH2 4.27Å; I445-W523 HydrophobicContact CG2-CZ2 4.11Å; F449-W523 AromaticContact CZ-NE1 3.82Å; V490-W523 CarbonylContact C-O 3.49Å; V490-W523 WeakPolarHBondContact CA-O 3.31Å; V490-W523 WeakPolarHBondContact CB-O 3.2Å; C491-W523 HydrophobicContact CB-CB 4.13Å; C491-W523 HydrophobicContact CB-CG 4.44Å; C491-W523 PolarHBondContact N-O 2.88Å; C491-W523 WeakPolarHBondContact O-CB 3.24Å; C491-W523 PolarHBondContact O-N 2.88Å; C491-W523 VanDerWaalsContact O-N 3.13Å; Q498-W523 HydrophobicContact CB-CZ3 4.11Å; P499-W523 HydrophobicContact CG-CH2 4.4Å; Y511-W523 HydrophobicContact CE2-CH2 4.16Å; Y511-W523 AromaticContact CE2-CZ3 3.88Å; Y511-W523 HydrophobicContact CE2-CZ3 3.88Å; Y511-W523 WeakPolarHBondContact OH-CZ3 3.35Å; Y515-W523 HydrophobicContact CD1-CD2 4.3Å; Y515-W523 AromaticContact CD1-CE2 3.63Å; Y515-W523 HydrophobicContact CD1-CH2 4.08Å; Y515-W523 AromaticContact CD1-CZ2 3.5Å; Y515-W523 HydrophobicContact CD1-CZ2 3.5Å; Y515-W523 VanDerWaalsContact CD1-CZ2 3.5Å; Y515-W523 AromaticContact CD1-NE1 3.99Å; Y515-W523 AromaticContact CD2-CH2 3.86Å; Y515-W523 HydrophobicContact CD2-CH2 3.86Å; Y515-W523 HydrophobicContact CD2-CZ2 4.14Å; Y515-W523 HydrophobicContact CD2-CZ3 4.11Å; Y515-W523 HydrophobicContact CE1-CH2 4.16Å; Y515-W523 AromaticContact CE1-CZ2 3.61Å; Y515-W523 HydrophobicContact CE1-CZ2 3.61Å; Y515-W523 AromaticContact CE2-CH2 3.92Å; Y515-W523 HydrophobicContact CE2-CH2 3.92Å; Y515-W523 HydrophobicContact CE2-CZ2 4.22Å; Y515-W523 HydrophobicContact CG-CD2 4.12Å; Y515-W523 AromaticContact CG-CE2 3.88Å; Y515-W523 HydrophobicContact CG-CE3 4.25Å; Y515-W523 AromaticContact CG-CH2 3.92Å; Y515-W523 HydrophobicContact CG-CH2 3.92Å; Y515-W523 AromaticContact CG-CZ2 3.77Å; Y515-W523 HydrophobicContact CG-CZ2 3.77Å; Y515-W523 HydrophobicContact CG-CZ3 4.17Å; Y515-W523 AromaticContact CZ-CZ2 3.98Å; F516-W523 HydrophobicContact CE1-CB 4Å; F516-W523 HydrophobicContact CE1-CE3 4.18Å; F516-W523 AromaticContact CZ-CE3 3.8Å; F516-W523 HydrophobicContact CZ-CE3 3.8Å; F516-W523 HydrophobicContact CZ-CZ3 4.4Å; W523-H525 AromaticContact NE1-ND1 3.62Å
524	A	95.7	Very high	91.1	Very high	3 Å²	3	39.8 Å²	39.8	3%	0.025	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.5	167.1	0	0	0	0	0	109.4	E488 Y515 F519 V522	E488-A524 HydrophobicContact CG-CB 4.31Å; Y515-A524 PolarHBondContact O-N 3.41Å; F519-A524 HydrophobicContact CD2-CB 4.12Å; V522-A524 PolarHBondContact O-N 3.22Å
525	H	91.3	Very high	91.3	Very high	7 Å²	7	40 Å²	40	3%	0.032	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-20.2	-169.7	-167.8	40.1	0	0	0	114.4	F449 L489 W523 D527 R543	F449-H525 AromaticContact CD2-NE2 3.98Å; F449-H525 HydrophobicContact CE2-CB 4.44Å; F449-H525 AromaticContact CE2-CD2 3.84Å; F449-H525 AromaticContact CE2-CE1 3.68Å; F449-H525 AromaticContact CE2-CG 3.73Å; F449-H525 AromaticContact CE2-ND1 3.64Å; F449-H525 AromaticContact CE2-NE2 3.78Å; L489-H525 HydrophobicContact CB-CB 4.4Å; L489-H525 HydrophobicContact CD2-CB 3.59Å; L489-H525 HydrophobicContact CG-CB 4.48Å; L489-H525 WeakPolarHBondContact O-CB 3.3Å; L489-H525 PolarHBondContact O-N 2.85Å; W523-H525 AromaticContact NE1-ND1 3.62Å; H525-D527 IonicContact CD2-OD2 3.42Å; H525-D527 PolarHBondContact CD2-OD2 3.36Å; H525-D527 IonicContact NE2-OD2 2.85Å; H525-R543 PolarHBondContact O-NH2 2.89Å
526	G	85.9	Confident	91.3	Very high	8 Å²	8	40.6 Å²	40.6	8%	0.082	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.7	22.7	-173.8	0	0	0	0	0	113.6	E488 R543 S544	E488-G526 WeakPolarHBondContact OE1-CA 3.37Å; E488-G526 PolarHBondContact OE1-N 2.9Å; G526-R543 PolarHBondContact O-NE 3.33Å; G526-R543 PolarHBondContact O-NH1 2.93Å; G526-R543 PolarHBondContact O-NH2 3.2Å; G526-S544 WeakPolarHBondContact CA-OG 3.14Å; G526-S544 PolarHBondContact O-N 2.84Å; G526-S544 PolarHBondContact O-OG 3.35Å
527	D	84.1	Confident	91.2	Very high	15 Å²	15	40.4 Å²	40.4	8%	0.08	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.8	177.4	-77.9	-41.9	0	0	0	111	E488 L489 H525 M540 R543 S544	E488-D527 PolarHBondContact OE1-N 2.9Å; L489-D527 HydrophobicContact CB-CB 4.19Å; L489-D527 WeakPolarHBondContact CB-O 3.36Å; L489-D527 HydrophobicContact CD1-CB 4.35Å; L489-D527 PolarHBondContact N-O 3.13Å; H525-D527 IonicContact CD2-OD2 3.42Å; H525-D527 PolarHBondContact CD2-OD2 3.36Å; H525-D527 IonicContact NE2-OD2 2.85Å; D527-M540 HydrophobicContact CB-CE 3.77Å; D527-R543 VanDerWaalsContact OD1-CD 3.22Å; D527-R543 WeakPolarHBondContact OD1-CD 3.22Å; D527-R543 IonicContact OD1-CZ 2.65Å; D527-R543 IonicContact OD1-NE 2.73Å; D527-R543 IonicContact OD1-NH1 3.25Å; D527-R543 PolarHBondContact OD1-NH1 2.74Å; D527-R543 IonicContact OD2-NH1 3.98Å; D527-R543 PolarHBondContact OD2-NH1 3.21Å; D527-S544 PolarHBondContact N-OG 2.94Å
528	Y	80.6	Confident	91.3	Very high	88 Å²	88	37.2 Å²	37.2	35%	0.345	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	136.4	164.4	-76.4	-67	0	0	0	110.4	G487 L541 G542 S544	G487-Y528 WeakPolarHBondContact O-CA 3.35Å; G487-Y528 WeakPolarHBondContact O-CD1 3.26Å; Y528-L541 PolarHBondContact O-N 3.13Å; Y528-G542 PolarHBondContact N-O 2.86Å; Y528-S544 VanDerWaalsContact CE2-CA 3.47Å
529	C	84.8	Confident	91	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	165.9	171	72	0	0	0	0	111.2	G487 I538 V539 M540	G487-C529 PolarHBondContact N-O 2.86Å; G487-C529 PolarHBondContact O-N 3.32Å; G487-C529 VanDerWaalsContact O-O 3.13Å; C529-I538 HydrophobicContact CB-CG2 3.84Å; C529-V539 CarbonylContact C-O 3.49Å; C529-V539 VanDerWaalsContact CA-O 3.24Å; C529-V539 WeakPolarHBondContact CA-O 3.48Å; C529-M540 HydrophobicContact CB-CE 4.32Å; C529-M540 HydrophobicContact CB-SD 3.79Å
530	K	85.8	Confident	90.3	Very high	55 Å²	55	36 Å²	36	24%	0.239	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.5	170.4	167.7	168.3	163	160.1	0	108.5	M13 G484 E485 I538 V539 L541	M13-K530 PolarHBondContact SD-NZ 2.78Å; G484-K530 VanDerWaalsContact C-CE 3.45Å; G484-K530 WeakPolarHBondContact O-CD 3.41Å; G484-K530 WeakPolarHBondContact O-CE 3.36Å; G484-K530 PolarHBondContact O-NZ 2.9Å; E485-K530 WeakPolarHBondContact O-CA 3.38Å; E485-K530 WeakPolarHBondContact O-CB 3.15Å; K530-I538 WeakPolarHBondContact O-CA 3.34Å; K530-V539 PolarHBondContact N-O 2.87Å; K530-V539 PolarHBondContact O-N 2.92Å; K530-L541 HydrophobicContact CB-CD1 4.1Å
531	I	93.9	Very high	89.3	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.8	176.5	-53.1	176.6	0	0	0	108.4	A474 W483 G484 I538	A474-I531 HydrophobicContact CB-CD1 4.22Å; A474-I531 HydrophobicContact CB-CG1 4.28Å; W483-I531 HydrophobicContact CE3-CB 4.11Å; W483-I531 HydrophobicContact CE3-CG2 3.64Å; W483-I531 HydrophobicContact CH2-CG2 4.06Å; W483-I531 HydrophobicContact CZ3-CB 4.27Å; W483-I531 HydrophobicContact CZ3-CG2 3.34Å; G484-I531 PolarHBondContact N-O 3.26Å; I531-I538 HydrophobicContact CG1-CG1 4.27Å
532	N	91.4	Very high	88	Confident	25 Å²	25	34.8 Å²	34.8	13%	0.134	19%	0.186	C	C	.	.			trans	-72.8	121.7	179.9	-177.3	-32.8	0	0	0	110	S17 E462 K534 T535 G536 G537	S17-N532 PolarHBondContact OG-ND2 2.95Å; S17-N532 VanDerWaalsContact OG-ND2 3.07Å; E462-N532 PolarHBondContact OE1-ND2 3.19Å; N532-K534 PolarHBondContact O-N 2.64Å; N532-K534 PolarHBondContact OD1-N 3.11Å; N532-T535 VanDerWaalsContact CB-OG1 3.23Å; N532-T535 WeakPolarHBondContact CB-OG1 3.43Å; N532-T535 PolarHBondContact ND2-OG1 2.71Å; N532-T535 PolarHBondContact OD1-N 2.8Å; N532-G536 VanDerWaalsContact O-CA 3.25Å; N532-G536 WeakPolarHBondContact O-CA 3.4Å; N532-G536 PolarHBondContact O-N 2.81Å; N532-G537 PolarHBondContact N-O 3.36Å
533	P	92.6	Very high	86.8	Confident	85 Å²	85	34.6 Å²	34.6	55%	0.552	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-19.3	-176.2	27.8	-35	0	0	0	113.9	W483	W483-P533 HydrophobicContact CB-CB 4.43Å
534	K	91.8	Very high	85.3	Confident	194 Å²	194	35.8 Å²	35.8	84%	0.843	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-46.2	-180	-65.3	-178.1	179.8	177.1	0	112.2	N532	N532-K534 PolarHBondContact O-N 2.64Å; N532-K534 PolarHBondContact OD1-N 3.11Å
535	T	93.6	Very high	83.9	Confident	31 Å²	31	37.7 Å²	37.7	19%	0.19	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-23.4	-174.2	63.7	0	0	0	0	112.7	Y459 E462 N532 G537	Y459-T535 HydrophobicContact CD1-CG2 3.78Å; Y459-T535 HydrophobicContact CD2-CG2 3.96Å; Y459-T535 HydrophobicContact CE1-CG2 3.52Å; Y459-T535 HydrophobicContact CE2-CG2 3.76Å; Y459-T535 HydrophobicContact CG-CG2 3.97Å; E462-T535 WeakPolarHBondContact OE2-CB 3.37Å; E462-T535 PolarHBondContact OE2-OG1 3.35Å; N532-T535 VanDerWaalsContact CB-OG1 3.23Å; N532-T535 WeakPolarHBondContact CB-OG1 3.43Å; N532-T535 PolarHBondContact ND2-OG1 2.71Å; N532-T535 PolarHBondContact OD1-N 2.8Å; T535-G537 PolarHBondContact O-N 2.83Å; T535-G537 PolarHBondContact OG1-N 2.8Å; T535-G537 VanDerWaalsContact OG1-N 3.11Å
536	G	94	Very high	82.5	Confident	18 Å²	18	37.7 Å²	37.7	19%	0.186	20%	0.204	C	C	.	.			trans	73.2	-0.5	-167.7	0	0	0	0	0	114	N532	N532-G536 VanDerWaalsContact O-CA 3.25Å; N532-G536 WeakPolarHBondContact O-CA 3.4Å; N532-G536 PolarHBondContact O-N 2.81Å
537	G	93.6	Very high	81.7	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.01	20%	0.2	C	C	.	.			trans	-69.2	156.6	177.9	0	0	0	0	0	112.3	I463 N532 T535	I463-G537 CarbonylContact O-C 3.13Å; I463-G537 VanDerWaalsContact O-CA 3.25Å; I463-G537 WeakPolarHBondContact O-CA 3.39Å; N532-G537 PolarHBondContact N-O 3.36Å; T535-G537 PolarHBondContact O-N 2.83Å; T535-G537 PolarHBondContact OG1-N 2.8Å; T535-G537 VanDerWaalsContact OG1-N 3.11Å
538	I	93.3	Very high	81.5	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.4	-171.7	-52.2	91	0	0	0	110.2	M450 I463 R466 C529 K530 I531 M540	M450-I538 HydrophobicContact CB-CD1 4.15Å; M450-I538 HydrophobicContact SD-CB 4.08Å; M450-I538 HydrophobicContact SD-CG1 4.29Å; M450-I538 HydrophobicContact SD-CG2 3.7Å; I463-I538 HydrophobicContact CB-CB 4.35Å; I463-I538 PolarHBondContact N-O 3.22Å; I463-I538 PolarHBondContact O-N 2.85Å; R466-I538 HydrophobicContact CG-CD1 4Å; R466-I538 HydrophobicContact CG-CG1 4.39Å; C529-I538 HydrophobicContact CB-CG2 3.84Å; K530-I538 WeakPolarHBondContact O-CA 3.34Å; I531-I538 HydrophobicContact CG1-CG1 4.27Å; I538-M540 HydrophobicContact CG2-SD 4.11Å
539	V	83.8	Confident	81.3	Confident	53 Å²	53	34.1 Å²	34.1	32%	0.321	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.4	171.2	-176.6	0	0	0	0	108.4	E462 C529 K530 L541	E462-V539 HydrophobicContact CG-CG2 4.16Å; C529-V539 CarbonylContact C-O 3.49Å; C529-V539 VanDerWaalsContact CA-O 3.24Å; C529-V539 WeakPolarHBondContact CA-O 3.48Å; K530-V539 PolarHBondContact N-O 2.87Å; K530-V539 PolarHBondContact O-N 2.92Å; V539-L541 HydrophobicContact CG1-CD2 3.99Å
540	M	80.1	Confident	81.1	Confident	24 Å²	24	34.7 Å²	34.7	12%	0.118	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.3	174.5	-61.5	-53.9	-64.5	0	0	109.6	P417 M450 I463 L489 D527 C529 I538	P417-M540 HydrophobicContact CG-CB 4.02Å; M450-M540 HydrophobicContact SD-SD 3.79Å; I463-M540 HydrophobicContact CD1-CG 3.62Å; I463-M540 HydrophobicContact CD1-SD 4.36Å; L489-M540 HydrophobicContact CD1-CE 3.8Å; L489-M540 HydrophobicContact CD1-SD 4.28Å; D527-M540 HydrophobicContact CB-CE 3.77Å; C529-M540 HydrophobicContact CB-CE 4.32Å; C529-M540 HydrophobicContact CB-SD 3.79Å; I538-M540 HydrophobicContact CG2-SD 4.11Å
541	L	71.8	Confident	80.5	Confident	86 Å²	86	36.8 Å²	36.8	45%	0.45	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	1	-175.1	-55.6	175.7	0	0	0	112.7	S486 Y528 K530 V539	S486-L541 VanDerWaalsContact OG-CD1 3.3Å; S486-L541 WeakPolarHBondContact OG-CD1 3.49Å; Y528-L541 PolarHBondContact O-N 3.13Å; K530-L541 HydrophobicContact CB-CD1 4.1Å; V539-L541 HydrophobicContact CG1-CD2 3.99Å
542	G	66.4	Low	79.2	Confident	16 Å²	16	37.4 Å²	37.4	17%	0.165	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102.8	-175.8	177.1	0	0	0	0	0	113.6	Y528	Y528-G542 PolarHBondContact N-O 2.86Å
543	R	70.9	Confident	78.1	Confident	13 Å²	13	37 Å²	37	5%	0.049	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	131.7	-177.2	-60.4	-58.3	-56.4	165.7	-4.1	111.4	H525 G526 D527 D545 T547 R554 K644	H525-R543 PolarHBondContact O-NH2 2.89Å; G526-R543 PolarHBondContact O-NE 3.33Å; G526-R543 PolarHBondContact O-NH1 2.93Å; G526-R543 PolarHBondContact O-NH2 3.2Å; D527-R543 VanDerWaalsContact OD1-CD 3.22Å; D527-R543 WeakPolarHBondContact OD1-CD 3.22Å; D527-R543 IonicContact OD1-CZ 2.65Å; D527-R543 IonicContact OD1-NE 2.73Å; D527-R543 IonicContact OD1-NH1 3.25Å; D527-R543 PolarHBondContact OD1-NH1 2.74Å; D527-R543 IonicContact OD2-NH1 3.98Å; D527-R543 PolarHBondContact OD2-NH1 3.21Å; R543-D545 IonicContact CZ-OD1 2.64Å; R543-D545 IonicContact CZ-OD2 3.39Å; R543-D545 IonicContact NE-OD1 4Å; R543-D545 PolarHBondContact NE-OD1 3.3Å; R543-D545 IonicContact NE-OD2 3.11Å; R543-D545 VanDerWaalsContact NH2-CG 3.31Å; R543-D545 IonicContact NH2-OD1 3.46Å; R543-D545 PolarHBondContact NH2-OD1 3.03Å; R543-D545 IonicContact NH2-OD2 3.45Å; R543-D545 PolarHBondContact NH2-OD2 3.41Å; R543-T547 PolarHBondContact NE-OG1 2.85Å; R543-R554 VanDerWaalsContact NH2-NH2 3.13Å; R543-K644 PolarHBondContact O-NZ 3.33Å
544	S	65.7	Low	77.2	Confident	26 Å²	26	34.9 Å²	34.9	18%	0.182	19%	0.193	C	C	.	.	S	Bend	trans	-83.5	-22	167.6	67.7	0	0	0	0	112.2	E488 G526 D527 Y528	E488-S544 VanDerWaalsContact CD-OG 3.28Å; E488-S544 PolarHBondContact OE1-OG 2.94Å; E488-S544 WeakPolarHBondContact OE2-CB 3.28Å; E488-S544 PolarHBondContact OE2-OG 2.98Å; G526-S544 WeakPolarHBondContact CA-OG 3.14Å; G526-S544 PolarHBondContact O-N 2.84Å; G526-S544 PolarHBondContact O-OG 3.35Å; D527-S544 PolarHBondContact N-OG 2.94Å; Y528-S544 VanDerWaalsContact CE2-CA 3.47Å
545	D	67.1	Low	76.3	Confident	42 Å²	42	25.7 Å²	25.7	23%	0.225	15%	0.153	C	C	.	.	S	Bend	trans	-90.9	175.2	174.3	70	15.2	0	0	0	113.2	R543 T547	R543-D545 IonicContact CZ-OD1 2.64Å; R543-D545 IonicContact CZ-OD2 3.39Å; R543-D545 IonicContact NE-OD1 4Å; R543-D545 PolarHBondContact NE-OD1 3.3Å; R543-D545 IonicContact NE-OD2 3.11Å; R543-D545 VanDerWaalsContact NH2-CG 3.31Å; R543-D545 IonicContact NH2-OD1 3.46Å; R543-D545 PolarHBondContact NH2-OD1 3.03Å; R543-D545 IonicContact NH2-OD2 3.45Å; R543-D545 PolarHBondContact NH2-OD2 3.41Å; D545-T547 PolarHBondContact O-N 3.19Å; D545-T547 WeakPolarHBondContact OD1-CB 3.43Å; D545-T547 PolarHBondContact OD1-N 2.76Å; D545-T547 VanDerWaalsContact OD1-N 3.08Å; D545-T547 PolarHBondContact OD1-OG1 3.05Å
546	G	60.6	Low	75.4	Confident	8 Å²	8	24.2 Å²	24.2	8%	0.082	14%	0.144	C	C	.	.	S	Bend	trans	-79.2	12.8	178.2	0	0	0	0	0	115	T297	T297-G546 VanDerWaalsContact CG2-C 3.46Å
547	T	69.5	Low	74.7	Confident	2 Å²	2	23.4 Å²	23.4	1%	0.012	14%	0.135	C	C	.	.			trans	-77.3	152	176.6	64.4	0	0	0	0	111	T297 R543 D545	T297-T547 HydrophobicContact CG2-CG2 3.77Å; R543-T547 PolarHBondContact NE-OG1 2.85Å; D545-T547 PolarHBondContact O-N 3.19Å; D545-T547 WeakPolarHBondContact OD1-CB 3.43Å; D545-T547 PolarHBondContact OD1-N 2.76Å; D545-T547 VanDerWaalsContact OD1-N 3.08Å; D545-T547 PolarHBondContact OD1-OG1 3.05Å
548	L	79.6	Confident	73.4	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-105.4	143.6	-176	-55.5	169.3	0	0	0	109.2	R554 F555 C575 P577 E585 V587	L548-R554 VanDerWaalsContact O-CA 3.32Å; L548-R554 WeakPolarHBondContact O-CA 3.44Å; L548-F555 HydrophobicContact CB-CD2 4.22Å; L548-F555 HydrophobicContact CB-CE2 3.98Å; L548-F555 HydrophobicContact CB-CZ 4.39Å; L548-F555 HydrophobicContact CD1-CD2 4.11Å; L548-F555 HydrophobicContact CD1-CE2 3.59Å; L548-F555 HydrophobicContact CD1-CZ 4.47Å; L548-F555 HydrophobicContact CG-CE2 4.43Å; L548-F555 PolarHBondContact N-O 3.34Å; L548-F555 PolarHBondContact O-N 2.93Å; L548-C575 HydrophobicContact CD1-CB 4.43Å; L548-C575 VanDerWaalsContact CD1-SG 3.59Å; L548-P577 HydrophobicContact CD2-CB 3.88Å; L548-P577 HydrophobicContact CD2-CG 4.03Å; L548-E585 WeakPolarHBondContact CA-OE1 3.44Å; L548-V587 HydrophobicContact CB-CG2 4.08Å; L548-V587 HydrophobicContact CD1-CG1 3.79Å; L548-V587 HydrophobicContact CD1-CG2 3.99Å; L548-V587 HydrophobicContact CD2-CG2 4.23Å; L548-V587 HydrophobicContact CG-CG2 4.32Å
549	N	76.9	Confident	72.4	Confident	33 Å²	33	23.8 Å²	23.8	18%	0.176	14%	0.137	C	C	.	.			trans	-140.2	49.2	178.2	-167	23.8	0	0	0	113.6	G415 N551 G552 V553 R554 E585	G415-N549 PolarHBondContact O-ND2 2.86Å; N549-N551 PolarHBondContact O-N 3.25Å; N549-G552 PolarHBondContact O-N 3.18Å; N549-G552 VanDerWaalsContact OD1-CA 3.24Å; N549-G552 WeakPolarHBondContact OD1-CA 3.3Å; N549-G552 PolarHBondContact OD1-O 3.33Å; N549-V553 WeakPolarHBondContact CA-O 3.43Å; N549-V553 VanDerWaalsContact OD1-C 3.24Å; N549-V553 PolarHBondContact OD1-N 2.96Å; N549-V553 VanDerWaalsContact OD1-N 3.11Å; N549-R554 PolarHBondContact OD1-N 3.08Å; N549-E585 PolarHBondContact N-OE1 3.23Å
550	P	79.9	Confident	72.4	Confident	12 Å²	12	21.2 Å²	21.2	8%	0.078	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-63.8	131.3	178.6	30.1	-37.6	0	0	0	110.8	G552 V553 F555 V587	P550-G552 PolarHBondContact O-N 3.5Å; P550-G552 VanDerWaalsContact O-N 3.14Å; P550-V553 WeakPolarHBondContact CD-O 3.24Å; P550-V553 PolarHBondContact O-N 2.76Å; P550-F555 HydrophobicContact CG-CD1 4.46Å; P550-F555 HydrophobicContact CG-CE1 3.37Å; P550-F555 HydrophobicContact CG-CZ 3.57Å; P550-V587 HydrophobicContact CB-CG2 4.01Å; P550-V587 HydrophobicContact CG-CG2 3.63Å
551	N	74.9	Confident	72.3	Confident	99 Å²	99	20.7 Å²	20.7	53%	0.529	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	55	27.3	179.5	-53.8	-65	0	0	0	114.5	K387 N549 V553	K387-N551 HydrophobicContact CB-CB 4.38Å; K387-N551 WeakPolarHBondContact CE-OD1 3.41Å; K387-N551 HydrophobicContact CG-CB 4.12Å; N549-N551 PolarHBondContact O-N 3.25Å; N551-V553 VanDerWaalsContact C-N 3.31Å
552	G	65.4	Low	72.4	Confident	16 Å²	16	20.6 Å²	20.6	17%	0.165	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	77.8	13.3	-178.9	0	0	0	0	0	114.5	N549 P550	N549-G552 PolarHBondContact O-N 3.18Å; N549-G552 VanDerWaalsContact OD1-CA 3.24Å; N549-G552 WeakPolarHBondContact OD1-CA 3.3Å; N549-G552 PolarHBondContact OD1-O 3.33Å; P550-G552 PolarHBondContact O-N 3.5Å; P550-G552 VanDerWaalsContact O-N 3.14Å
553	V	68.4	Low	73	Confident	15 Å²	15	20.6 Å²	20.6	9%	0.091	11%	0.114	C	C	.	.			trans	-101.2	105.4	175	178.6	0	0	0	0	109.1	W339 N549 P550 N551 F555 R618	W339-V553 VanDerWaalsContact CH2-CA 3.42Å; W339-V553 HydrophobicContact CH2-CB 3.9Å; W339-V553 HydrophobicContact CH2-CG1 3.54Å; W339-V553 HydrophobicContact CH2-CG2 4.28Å; W339-V553 HydrophobicContact CZ2-CB 4.17Å; W339-V553 HydrophobicContact CZ2-CG1 3.68Å; W339-V553 HydrophobicContact CZ2-CG2 4.13Å; N549-V553 WeakPolarHBondContact CA-O 3.43Å; N549-V553 VanDerWaalsContact OD1-C 3.24Å; N549-V553 PolarHBondContact OD1-N 2.96Å; N549-V553 VanDerWaalsContact OD1-N 3.11Å; P550-V553 WeakPolarHBondContact CD-O 3.24Å; P550-V553 PolarHBondContact O-N 2.76Å; N551-V553 VanDerWaalsContact C-N 3.31Å; V553-F555 HydrophobicContact CG1-CD1 3.96Å; V553-F555 HydrophobicContact CG1-CE1 4.41Å; V553-F555 WeakPolarHBondContact O-CD1 3.18Å; V553-R618 HydrophobicContact CB-CB 4.47Å; V553-R618 HydrophobicContact CG1-CB 3.86Å; V553-R618 HydrophobicContact CG2-CB 4.23Å; V553-R618 HydrophobicContact CG2-CG 4.33Å
554	R	74.2	Confident	73.7	Confident	42 Å²	42	20 Å²	20	16%	0.158	11%	0.112	C	C	.	.			trans	-77.3	123.8	177.3	-170	175.5	-179.4	-163.7	-1.1	111.8	D444 R543 L548 N549	D444-R554 IonicContact OD1-NH1 2.82Å; D444-R554 IonicContact OD2-CZ 3.85Å; D444-R554 IonicContact OD2-NH1 2.81Å; D444-R554 PolarHBondContact OD2-NH1 2.65Å; R543-R554 VanDerWaalsContact NH2-NH2 3.13Å; L548-R554 VanDerWaalsContact O-CA 3.32Å; L548-R554 WeakPolarHBondContact O-CA 3.44Å; N549-R554 PolarHBondContact OD1-N 3.08Å
555	F	72.7	Confident	74.3	Confident	1 Å²	1	23.8 Å²	23.8	0%	0.004	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-147.9	165.2	167.9	59.2	-96.5	0	0	0	112.5	S295 L548 P550 V553 I560 V587 R618 H619	S295-F555 VanDerWaalsContact CB-C 3.49Å; S295-F555 WeakPolarHBondContact OG-CA 3.46Å; L548-F555 HydrophobicContact CB-CD2 4.22Å; L548-F555 HydrophobicContact CB-CE2 3.98Å; L548-F555 HydrophobicContact CB-CZ 4.39Å; L548-F555 HydrophobicContact CD1-CD2 4.11Å; L548-F555 HydrophobicContact CD1-CE2 3.59Å; L548-F555 HydrophobicContact CD1-CZ 4.47Å; L548-F555 HydrophobicContact CG-CE2 4.43Å; L548-F555 PolarHBondContact N-O 3.34Å; L548-F555 PolarHBondContact O-N 2.93Å; P550-F555 HydrophobicContact CG-CD1 4.46Å; P550-F555 HydrophobicContact CG-CE1 3.37Å; P550-F555 HydrophobicContact CG-CZ 3.57Å; V553-F555 HydrophobicContact CG1-CD1 3.96Å; V553-F555 HydrophobicContact CG1-CE1 4.41Å; V553-F555 WeakPolarHBondContact O-CD1 3.18Å; F555-I560 HydrophobicContact CD2-CD1 4.2Å; F555-I560 HydrophobicContact CE2-CD1 3.57Å; F555-I560 HydrophobicContact CE2-CG1 4.48Å; F555-I560 HydrophobicContact CZ-CD1 4.45Å; F555-V587 HydrophobicContact CE2-CG2 4.42Å; F555-V587 HydrophobicContact CZ-CG2 4Å; F555-R618 WeakPolarHBondContact CE1-O 3.32Å; F555-H619 AromaticContact CD1-CD2 3.81Å; F555-H619 AromaticContact CD2-CD2 3.9Å; F555-H619 AromaticContact CG-CD2 3.48Å; F555-H619 VanDerWaalsContact CG-CD2 3.48Å; F555-H619 WeakPolarHBondContact CG-CD2 3.36Å; F555-H619 AromaticContact CG-NE2 3.92Å
556	G	74.3	Confident	74.8	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.149	C	C	.	.			trans	-95.8	148.2	-175.6	0	0	0	0	0	111.7	S295 G296 S558 E559	S295-G556 PolarHBondContact OG-N 3.02Å; G296-G556 WeakPolarHBondContact O-CA 3.5Å; G556-S558 PolarHBondContact O-N 2.84Å; G556-E559 PolarHBondContact N-OE1 2.8Å; G556-E559 VanDerWaalsContact N-OE1 3.15Å; G556-E559 PolarHBondContact O-N 3.23Å
557	S	78.8	Confident	76.1	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-32	172.8	57.6	0	0	0	0	111.9	E559 I560 Y561 E640	S557-E559 PolarHBondContact O-N 2.84Å; S557-I560 PolarHBondContact O-N 2.79Å; S557-I560 VanDerWaalsContact O-N 3.17Å; S557-Y561 WeakPolarHBondContact CB-OH 3.25Å; S557-Y561 WeakPolarHBondContact O-CD1 3.32Å; S557-Y561 WeakPolarHBondContact O-CD2 3.24Å; S557-Y561 PolarHBondContact O-N 2.82Å; S557-Y561 WeakPolarHBondContact OG-CE2 3.25Å; S557-E640 PolarHBondContact OG-OE1 3.37Å
558	S	67.2	Low	77	Confident	7 Å²	7	34.5 Å²	34.5	5%	0.049	19%	0.187	C	C	.	.	H	α-helix	trans	-62.2	-35.8	177.4	59.4	0	0	0	0	114.4	G296 G299 G556 I560 Y561 N562	G296-S558 PolarHBondContact O-OG 3.14Å; G299-S558 PolarHBondContact O-OG 2.83Å; G556-S558 PolarHBondContact O-N 2.84Å; S558-I560 PolarHBondContact O-N 3.11Å; S558-Y561 PolarHBondContact O-N 2.87Å; S558-N562 VanDerWaalsContact O-CG 3.23Å; S558-N562 PolarHBondContact O-N 3.16Å; S558-N562 PolarHBondContact O-OD1 2.82Å
559	E	72.2	Confident	77.6	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.019	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-36	176.8	-70	176.3	-90.1	0	0	110.5	R197 S295 G556 S557 L615	R197-E559 IonicContact CZ-OE2 2.72Å; R197-E559 IonicContact NH1-OE2 2.69Å; R197-E559 PolarHBondContact NH1-OE2 2.91Å; R197-E559 IonicContact NH2-OE2 3.69Å; R197-E559 PolarHBondContact NH2-OE2 3.48Å; S295-E559 WeakPolarHBondContact CB-OE1 3.39Å; S295-E559 PolarHBondContact OG-OE1 2.88Å; G556-E559 PolarHBondContact N-OE1 2.8Å; G556-E559 VanDerWaalsContact N-OE1 3.15Å; G556-E559 PolarHBondContact O-N 3.23Å; S557-E559 PolarHBondContact O-N 2.84Å; E559-L615 HydrophobicContact CB-CD1 3.93Å; E559-L615 HydrophobicContact CB-CD2 4.45Å
560	I	82.9	Confident	78.1	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-75.9	-44.8	175.1	-66.7	172.3	0	0	0	111	F555 S557 S558 N562 I563 V564 L589 I611 P621	F555-I560 HydrophobicContact CD2-CD1 4.2Å; F555-I560 HydrophobicContact CE2-CD1 3.57Å; F555-I560 HydrophobicContact CE2-CG1 4.48Å; F555-I560 HydrophobicContact CZ-CD1 4.45Å; S557-I560 PolarHBondContact O-N 2.79Å; S557-I560 VanDerWaalsContact O-N 3.17Å; S558-I560 PolarHBondContact O-N 3.11Å; I560-N562 VanDerWaalsContact C-N 3.33Å; I560-N562 PolarHBondContact O-N 2.91Å; I560-I563 PolarHBondContact O-N 2.9Å; I560-I563 VanDerWaalsContact O-N 3.12Å; I560-V564 HydrophobicContact CG2-CG2 3.83Å; I560-V564 VanDerWaalsContact O-CG2 3.28Å; I560-V564 WeakPolarHBondContact O-CG2 3.46Å; I560-V564 PolarHBondContact O-N 3.22Å; I560-L589 HydrophobicContact CG2-CD1 4.02Å; I560-L589 HydrophobicContact CG2-CD2 3.99Å; I560-I611 HydrophobicContact CG2-CD1 3.97Å; I560-P621 HydrophobicContact CD1-CG 4.11Å
561	Y	79.4	Confident	78.5	Confident	12 Å²	12	37.8 Å²	37.8	5%	0.047	21%	0.208	C	C	.	.	H	α-helix	trans	-56	-46	-179.7	-59.5	-30	0	0	0	112	S557 S558 I563 V564 E565 S573 C575 K638 E640	S557-Y561 WeakPolarHBondContact CB-OH 3.25Å; S557-Y561 WeakPolarHBondContact O-CD1 3.32Å; S557-Y561 WeakPolarHBondContact O-CD2 3.24Å; S557-Y561 PolarHBondContact O-N 2.82Å; S557-Y561 WeakPolarHBondContact OG-CE2 3.25Å; S558-Y561 PolarHBondContact O-N 2.87Å; Y561-I563 PolarHBondContact O-N 3.37Å; Y561-V564 PolarHBondContact O-N 3.11Å; Y561-E565 VanDerWaalsContact O-CB 3.31Å; Y561-E565 WeakPolarHBondContact O-CB 3.43Å; Y561-E565 VanDerWaalsContact O-CG 3.23Å; Y561-E565 WeakPolarHBondContact O-CG 3.32Å; Y561-E565 PolarHBondContact O-N 3.41Å; Y561-S573 WeakPolarHBondContact CD1-OG 3.39Å; Y561-C575 HydrophobicContact CE1-CB 3.6Å; Y561-C575 VanDerWaalsContact CE1-N 3.31Å; Y561-C575 PolarHBondContact OH-N 2.83Å; Y561-K638 HydrophobicContact CD2-CD 4.25Å; Y561-K638 HydrophobicContact CE2-CD 3.78Å; Y561-E640 WeakPolarHBondContact CE2-OE1 3.42Å; Y561-E640 PolarHBondContact OH-OE1 3.08Å
562	N	72.4	Confident	79	Confident	85 Å²	85	34 Å²	34	46%	0.455	19%	0.188	S	C	.	.	H	α-helix	trans	-56.4	-28	-179.9	-70.2	-11.8	0	0	0	113.6	S558 I560	S558-N562 VanDerWaalsContact O-CG 3.23Å; S558-N562 PolarHBondContact O-N 3.16Å; S558-N562 PolarHBondContact O-OD1 2.82Å; I560-N562 VanDerWaalsContact C-N 3.33Å; I560-N562 PolarHBondContact O-N 2.91Å
563	I	80.4	Confident	80.2	Confident	15 Å²	15	33.2 Å²	33.2	8%	0.077	18%	0.18	C	C	.	.	H	α-helix	trans	-87.1	-42.4	178.3	-67	161.3	0	0	0	110.7	I560 Y561 A566 F567 A610 I611 A614 L615	I560-I563 PolarHBondContact O-N 2.9Å; I560-I563 VanDerWaalsContact O-N 3.12Å; Y561-I563 PolarHBondContact O-N 3.37Å; I563-A566 PolarHBondContact O-N 3.08Å; I563-F567 HydrophobicContact CG2-CE2 4.42Å; I563-F567 WeakPolarHBondContact O-CD2 3.34Å; I563-F567 WeakPolarHBondContact O-CE2 3.26Å; I563-A610 HydrophobicContact CG2-CB 3.95Å; I563-I611 HydrophobicContact CB-CG1 4.5Å; I563-I611 HydrophobicContact CG2-CG1 4Å; I563-A614 HydrophobicContact CD1-CB 3.63Å; I563-A614 HydrophobicContact CG1-CB 4.06Å; I563-L615 HydrophobicContact CD1-CD1 3.58Å; I563-L615 HydrophobicContact CD1-CD2 3.92Å; I563-L615 HydrophobicContact CD1-CG 3.39Å
564	V	85.4	Confident	81.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-69.6	-36	-176.6	174.8	0	0	0	0	111	I560 Y561 A566 F567 V570 L589 L591 I607 I611	I560-V564 HydrophobicContact CG2-CG2 3.83Å; I560-V564 VanDerWaalsContact O-CG2 3.28Å; I560-V564 WeakPolarHBondContact O-CG2 3.46Å; I560-V564 PolarHBondContact O-N 3.22Å; Y561-V564 PolarHBondContact O-N 3.11Å; V564-A566 PolarHBondContact O-N 3.34Å; V564-F567 WeakPolarHBondContact O-CB 3.38Å; V564-F567 PolarHBondContact O-N 3.19Å; V564-F567 VanDerWaalsContact O-N 3.14Å; V564-V570 HydrophobicContact CG1-CB 4.34Å; V564-V570 HydrophobicContact CG1-CG1 3.82Å; V564-V570 HydrophobicContact CG1-CG2 4.27Å; V564-L589 HydrophobicContact CG2-CD2 3.67Å; V564-L591 HydrophobicContact CG1-CD2 3.59Å; V564-I607 HydrophobicContact CG2-CG2 3.95Å; V564-I611 HydrophobicContact CG2-CD1 4.31Å
565	E	77.8	Confident	82	Confident	107 Å²	107	30.5 Å²	30.5	50%	0.5	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.5	178.5	-72.4	171.4	-174.8	0	0	113.2	Y561 F567 K638	Y561-E565 VanDerWaalsContact O-CB 3.31Å; Y561-E565 WeakPolarHBondContact O-CB 3.43Å; Y561-E565 VanDerWaalsContact O-CG 3.23Å; Y561-E565 WeakPolarHBondContact O-CG 3.32Å; Y561-E565 PolarHBondContact O-N 3.41Å; E565-F567 VanDerWaalsContact C-N 3.28Å; E565-F567 PolarHBondContact O-N 3.4Å; E565-K638 IonicContact OE1-NZ 3.67Å; E565-K638 PolarHBondContact OE1-NZ 3.06Å
566	A	78.8	Confident	82.9	Confident	83 Å²	83	30.5 Å²	30.5	69%	0.686	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-7.7	174.1	0	0	0	0	0	113.8	I563 V564	I563-A566 PolarHBondContact O-N 3.08Å; V564-A566 PolarHBondContact O-N 3.34Å
567	F	87.4	Confident	83.6	Confident	36 Å²	36	30.7 Å²	30.7	16%	0.158	17%	0.169	C	C	.	.			trans	-90.2	119	178.8	-72.6	-100.4	0	0	0	110.7	I563 V564 E565 E569 V570 L603 K606 I607 A610	I563-F567 HydrophobicContact CG2-CE2 4.42Å; I563-F567 WeakPolarHBondContact O-CD2 3.34Å; I563-F567 WeakPolarHBondContact O-CE2 3.26Å; V564-F567 WeakPolarHBondContact O-CB 3.38Å; V564-F567 PolarHBondContact O-N 3.19Å; V564-F567 VanDerWaalsContact O-N 3.14Å; E565-F567 VanDerWaalsContact C-N 3.28Å; E565-F567 PolarHBondContact O-N 3.4Å; F567-E569 PolarHBondContact O-N 3.27Å; F567-E569 VanDerWaalsContact O-N 3.1Å; F567-V570 HydrophobicContact CB-CB 4.41Å; F567-V570 HydrophobicContact CB-CG2 4.07Å; F567-V570 PolarHBondContact O-N 3.08Å; F567-L603 HydrophobicContact CD1-CD1 4.06Å; F567-K606 HydrophobicContact CE1-CB 4.09Å; F567-I607 HydrophobicContact CD1-CG1 4.09Å; F567-I607 HydrophobicContact CD2-CG1 4.19Å; F567-I607 HydrophobicContact CE1-CG1 3.96Å; F567-I607 HydrophobicContact CE2-CG1 4.06Å; F567-I607 HydrophobicContact CG-CG1 4.2Å; F567-I607 HydrophobicContact CZ-CG1 3.93Å; F567-A610 HydrophobicContact CE2-CB 3.92Å; F567-A610 HydrophobicContact CZ-CB 3.62Å
568	E	88.3	Confident	84.1	Confident	157 Å²	157	31.4 Å²	31.4	73%	0.734	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.8	179.1	-63.1	-177.4	178.2	0	0	113.5	V570 A594	E568-V570 VanDerWaalsContact C-N 3.26Å; E568-A594 WeakPolarHBondContact O-CB 3.49Å
569	E	92.8	Very high	85	Confident	40 Å²	40	34.4 Å²	34.4	19%	0.187	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.1	175.9	-58.2	95.6	146.5	0	0	113.2	F567 M593 A594 K597 L603	F567-E569 PolarHBondContact O-N 3.27Å; F567-E569 VanDerWaalsContact O-N 3.1Å; E569-M593 HydrophobicContact CB-CE 3.97Å; E569-M593 WeakPolarHBondContact O-CE 3.38Å; E569-A594 PolarHBondContact O-N 3.06Å; E569-K597 HydrophobicContact CB-CB 4.2Å; E569-K597 HydrophobicContact CG-CB 4.4Å; E569-K597 HydrophobicContact CG-CD 4.28Å; E569-L603 HydrophobicContact CB-CD1 4.13Å; E569-L603 HydrophobicContact CB-CD2 3.97Å; E569-L603 HydrophobicContact CG-CD1 4.36Å
570	V	86.9	Confident	85.5	Confident	12 Å²	12	35.3 Å²	35.3	7%	0.073	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.2	-174.9	-175.9	0	0	0	0	109.7	V564 F567 E568 D572 L591 I607	V564-V570 HydrophobicContact CG1-CB 4.34Å; V564-V570 HydrophobicContact CG1-CG1 3.82Å; V564-V570 HydrophobicContact CG1-CG2 4.27Å; F567-V570 HydrophobicContact CB-CB 4.41Å; F567-V570 HydrophobicContact CB-CG2 4.07Å; F567-V570 PolarHBondContact O-N 3.08Å; E568-V570 VanDerWaalsContact C-N 3.26Å; V570-D572 WeakPolarHBondContact CG1-O 3.44Å; V570-L591 HydrophobicContact CG1-CD2 4.14Å; V570-L591 HydrophobicContact CG2-CD1 4.27Å; V570-L591 HydrophobicContact CG2-CD2 4.36Å; V570-I607 HydrophobicContact CG2-CD1 4.07Å
571	S	87.1	Confident	85.1	Confident	63 Å²	63	40.4 Å²	40.4	44%	0.441	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-31.9	174.3	64.8	0	0	0	0	113.2	K592 M593	S571-K592 PolarHBondContact N-O 3.26Å; S571-K592 WeakPolarHBondContact OG-CG 3.49Å; S571-K592 PolarHBondContact OG-O 2.91Å; S571-M593 PolarHBondContact OG-O 2.86Å
572	D	86.7	Confident	84.6	Confident	19 Å²	19	44.2 Å²	44.2	10%	0.102	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	165	178.7	-160.4	-1.8	0	0	0	110.4	V570 K592 I630 Y632 K638	V570-D572 WeakPolarHBondContact CG1-O 3.44Å; D572-K592 HydrophobicContact CB-CB 3.98Å; D572-K592 HydrophobicContact CB-CD 4.13Å; D572-K592 PolarHBondContact N-O 3.44Å; D572-K592 PolarHBondContact O-N 3.19Å; D572-I630 HydrophobicContact CB-CG1 3.86Å; D572-I630 WeakPolarHBondContact OD2-CB 3.47Å; D572-I630 WeakPolarHBondContact OD2-CG1 3.31Å; D572-Y632 PolarHBondContact OD1-OH 3.42Å; D572-Y632 VanDerWaalsContact OD1-OH 3.13Å; D572-Y632 VanDerWaalsContact OD2-CE2 3.23Å; D572-Y632 WeakPolarHBondContact OD2-CE2 2.94Å; D572-Y632 VanDerWaalsContact OD2-CZ 3.27Å; D572-Y632 PolarHBondContact OD2-OH 3.06Å; D572-K638 WeakPolarHBondContact OD1-CE 3.25Å; D572-K638 IonicContact OD1-NZ 3.17Å; D572-K638 PolarHBondContact OD1-NZ 3.19Å
573	S	90.9	Very high	84.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	154.1	179.1	62.1	0	0	0	0	113.4	Y561 F590 K638	Y561-S573 WeakPolarHBondContact CD1-OG 3.39Å; S573-F590 CarbonylContact C-O 3.59Å; S573-F590 WeakPolarHBondContact CA-O 3.46Å; S573-F590 WeakPolarHBondContact CB-O 3.43Å; S573-K638 WeakPolarHBondContact O-CD 3.36Å; S573-K638 WeakPolarHBondContact O-CE 3.39Å; S573-K638 PolarHBondContact O-NZ 2.98Å
574	L	90.4	Very high	84.4	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	128.7	175.6	-173.6	78.9	0	0	0	110.5	V576 F590 I630 P631 K638 E640 V643 Y667	L574-V576 HydrophobicContact CD2-CG1 3.88Å; L574-V576 HydrophobicContact CG-CG1 3.94Å; L574-F590 HydrophobicContact CB-CB 4.43Å; L574-F590 PolarHBondContact N-O 3.08Å; L574-F590 PolarHBondContact O-N 2.96Å; L574-I630 HydrophobicContact CB-CD1 3.87Å; L574-I630 HydrophobicContact CB-CG2 4.01Å; L574-I630 HydrophobicContact CD1-CG2 4.16Å; L574-P631 HydrophobicContact CD2-CG 4.32Å; L574-K638 HydrophobicContact CD1-CB 3.75Å; L574-K638 HydrophobicContact CD1-CD 4.31Å; L574-K638 HydrophobicContact CD1-CG 4.28Å; L574-E640 HydrophobicContact CD1-CG 3.91Å; L574-V643 HydrophobicContact CD2-CB 3.87Å; L574-V643 HydrophobicContact CD2-CG1 3.96Å; L574-V643 HydrophobicContact CD2-CG2 3.55Å; L574-Y667 HydrophobicContact CD2-CE1 4.15Å
575	C	89.5	Confident	84.5	Confident	0 Å²	0	45 Å²	45	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.5	-177	-160.1	0	0	0	0	108.9	L548 Y561 V587 I588 L589 E640	L548-C575 HydrophobicContact CD1-CB 4.43Å; L548-C575 VanDerWaalsContact CD1-SG 3.59Å; Y561-C575 HydrophobicContact CE1-CB 3.6Å; Y561-C575 VanDerWaalsContact CE1-N 3.31Å; Y561-C575 PolarHBondContact OH-N 2.83Å; C575-V587 WeakPolarHBondContact SG-CG1 3.46Å; C575-I588 WeakPolarHBondContact CA-O 3.37Å; C575-L589 HydrophobicContact CB-CD1 4.11Å; C575-E640 VanDerWaalsContact O-CG 3.29Å; C575-E640 WeakPolarHBondContact O-CG 3.22Å
576	V	90.5	Very high	85.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	147.9	-173.9	-62.3	0	0	0	0	111.6	L574 I588 F590 E640 V643 I647	L574-V576 HydrophobicContact CD2-CG1 3.88Å; L574-V576 HydrophobicContact CG-CG1 3.94Å; V576-I588 HydrophobicContact CG2-CB 4.27Å; V576-I588 PolarHBondContact N-O 3.43Å; V576-I588 PolarHBondContact O-N 3.16Å; V576-F590 HydrophobicContact CG2-CD2 4.03Å; V576-F590 HydrophobicContact CG2-CE2 3.58Å; V576-E640 HydrophobicContact CG1-CB 4.15Å; V576-E640 HydrophobicContact CG1-CG 4.39Å; V576-V643 HydrophobicContact CB-CG1 4.44Å; V576-V643 HydrophobicContact CG1-CB 4Å; V576-V643 HydrophobicContact CG1-CG1 3.83Å; V576-V643 HydrophobicContact CG2-CG1 4.11Å; V576-I647 HydrophobicContact CG2-CD1 3.58Å
577	P	89.1	Confident	85.7	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.032	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	145	172.4	34.6	-33.4	0	0	0	110.2	L548 Y579 E585 R586 K644	L548-P577 HydrophobicContact CD2-CB 3.88Å; L548-P577 HydrophobicContact CD2-CG 4.03Å; P577-Y579 HydrophobicContact CB-CE2 3.8Å; P577-Y579 HydrophobicContact CG-CE2 3.94Å; P577-E585 HydrophobicContact CB-CG 3.7Å; P577-R586 WeakPolarHBondContact CA-O 3.36Å; P577-K644 HydrophobicContact CG-CB 4.47Å; P577-K644 HydrophobicContact CG-CD 3.76Å; P577-K644 HydrophobicContact CG-CG 4.1Å
578	Q	90.2	Very high	86.1	Confident	15 Å²	15	36.4 Å²	36.4	7%	0.07	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.5	163	-175.8	-175.7	18.4	0	0	108.7	E585 R586 I588 I647 L673 Y676	Q578-E585 WeakPolarHBondContact O-CA 3.42Å; Q578-R586 HydrophobicContact CB-CG 4.12Å; Q578-R586 PolarHBondContact N-O 3.11Å; Q578-R586 PolarHBondContact O-N 2.84Å; Q578-I588 HydrophobicContact CB-CD1 3.59Å; Q578-I588 HydrophobicContact CB-CG1 4.38Å; Q578-I588 HydrophobicContact CG-CD1 4.38Å; Q578-I647 HydrophobicContact CB-CG2 4.22Å; Q578-I647 HydrophobicContact CG-CG2 3.77Å; Q578-L673 PolarHBondContact NE2-O 3.05Å; Q578-Y676 HydrophobicContact CB-CD1 4.32Å; Q578-Y676 HydrophobicContact CG-CD1 3.77Å; Q578-Y676 HydrophobicContact CG-CE1 4.47Å; Q578-Y676 VanDerWaalsContact O-CE1 3.29Å; Q578-Y676 WeakPolarHBondContact O-CE1 3.47Å
579	Y	85	Confident	86.4	Confident	69 Å²	69	29 Å²	29	27%	0.271	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.4	178	-60.7	-90.3	0	0	0	110.1	P577 E584 E585 K644	P577-Y579 HydrophobicContact CB-CE2 3.8Å; P577-Y579 HydrophobicContact CG-CE2 3.94Å; Y579-E584 VanDerWaalsContact CA-O 3.25Å; Y579-E584 WeakPolarHBondContact CA-O 3.3Å; Y579-E585 HydrophobicContact CD1-CB 4.08Å; Y579-E585 HydrophobicContact CD1-CG 4.43Å; Y579-E585 HydrophobicContact CE1-CB 3.71Å; Y579-E585 HydrophobicContact CE1-CG 3.85Å; Y579-E585 WeakPolarHBondContact CE1-OE2 3.43Å; Y579-E585 PolarHBondContact OH-OE2 3.11Å; Y579-K644 HydrophobicContact CE2-CD 4.26Å; Y579-K644 VanDerWaalsContact CE2-CE 3.44Å
580	N	83.4	Confident	86.6	Confident	23 Å²	23	27.2 Å²	27.2	12%	0.123	17%	0.167	C	C	.	.			trans	-86.8	177.3	167.9	68.9	10.2	0	0	0	111.6	D582 G583 E584 Y676	N580-D582 PolarHBondContact O-N 3.5Å; N580-D582 VanDerWaalsContact O-N 3.14Å; N580-D582 WeakPolarHBondContact OD1-CA 3.29Å; N580-D582 PolarHBondContact OD1-N 3.21Å; N580-D582 VanDerWaalsContact OD1-N 3.11Å; N580-G583 PolarHBondContact O-N 3.46Å; N580-G583 PolarHBondContact OD1-N 3.44Å; N580-E584 PolarHBondContact N-O 3.46Å; N580-E584 VanDerWaalsContact N-O 3.08Å; N580-E584 WeakPolarHBondContact OD1-CB 3.48Å; N580-E584 PolarHBondContact OD1-N 3.48Å; N580-Y676 HydrophobicContact CB-CD1 3.73Å; N580-Y676 HydrophobicContact CB-CE1 3.82Å; N580-Y676 HydrophobicContact CB-CG 4.11Å; N580-Y676 WeakPolarHBondContact CB-O 3.49Å; N580-Y676 WeakPolarHBondContact CB-OXT 3.48Å
581	A	74.9	Confident	87.1	Confident	108 Å²	108	26.6 Å²	26.6	89%	0.893	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.1	179	0	0	0	0	0	113.5	G583	A581-G583 VanDerWaalsContact C-N 3.34Å
582	D	68.4	Low	87.4	Confident	92 Å²	92	26.5 Å²	26.5	49%	0.492	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	4.2	178	-62.2	-36.4	0	0	0	113.5	K419 N580 E584	K419-D582 HydrophobicContact CD-CB 4.22Å; K419-D582 WeakPolarHBondContact CE-O 3.48Å; K419-D582 VanDerWaalsContact NZ-CB 3.31Å; K419-D582 IonicContact NZ-OD2 3.85Å; N580-D582 PolarHBondContact O-N 3.5Å; N580-D582 VanDerWaalsContact O-N 3.14Å; N580-D582 WeakPolarHBondContact OD1-CA 3.29Å; N580-D582 PolarHBondContact OD1-N 3.21Å; N580-D582 VanDerWaalsContact OD1-N 3.11Å; D582-E584 VanDerWaalsContact C-N 3.33Å; D582-E584 PolarHBondContact O-N 2.93Å
583	G	71.5	Confident	87.8	Confident	47 Å²	47	26.7 Å²	26.7	49%	0.485	16%	0.155	S	C	.	.			trans	75.6	13.1	-178.5	0	0	0	0	0	115	N580 A581	N580-G583 PolarHBondContact O-N 3.46Å; N580-G583 PolarHBondContact OD1-N 3.44Å; A581-G583 VanDerWaalsContact C-N 3.34Å
584	E	78.1	Confident	87.7	Confident	49 Å²	49	27.5 Å²	27.5	23%	0.229	16%	0.162	C	C	.	.			trans	-72.2	136.8	170.9	-58.4	-168.1	154.2	0	0	110.8	K387 K419 Y579 N580 D582 Y676	K387-E584 IonicContact NZ-OE1 3.99Å; K419-E584 WeakPolarHBondContact CE-OE1 3.29Å; K419-E584 IonicContact NZ-OE1 3.93Å; K419-E584 PolarHBondContact NZ-OE1 3.38Å; Y579-E584 VanDerWaalsContact CA-O 3.25Å; Y579-E584 WeakPolarHBondContact CA-O 3.3Å; N580-E584 PolarHBondContact N-O 3.46Å; N580-E584 VanDerWaalsContact N-O 3.08Å; N580-E584 WeakPolarHBondContact OD1-CB 3.48Å; N580-E584 PolarHBondContact OD1-N 3.48Å; D582-E584 VanDerWaalsContact C-N 3.33Å; D582-E584 PolarHBondContact O-N 2.93Å; E584-Y676 WeakPolarHBondContact O-CE1 3.49Å; E584-Y676 PolarHBondContact O-OH 3.1Å
585	E	86	Confident	87.7	Confident	21 Å²	21	33 Å²	33	10%	0.098	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129	177.5	-170.4	-179.5	134.6	0	0	111.3	L548 N549 P577 Q578 Y579	L548-E585 WeakPolarHBondContact CA-OE1 3.44Å; N549-E585 PolarHBondContact N-OE1 3.23Å; P577-E585 HydrophobicContact CB-CG 3.7Å; Q578-E585 WeakPolarHBondContact O-CA 3.42Å; Y579-E585 HydrophobicContact CD1-CB 4.08Å; Y579-E585 HydrophobicContact CD1-CG 4.43Å; Y579-E585 HydrophobicContact CE1-CB 3.71Å; Y579-E585 HydrophobicContact CE1-CG 3.85Å; Y579-E585 WeakPolarHBondContact CE1-OE2 3.43Å; Y579-E585 PolarHBondContact OH-OE2 3.11Å
586	R	90.8	Very high	87.7	Confident	41 Å²	41	44.6 Å²	44.6	16%	0.155	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	148.3	159	73.3	178.5	178.4	-175	9	110.9	P577 Q578 A622 E672 Y676	P577-R586 WeakPolarHBondContact CA-O 3.36Å; Q578-R586 HydrophobicContact CB-CG 4.12Å; Q578-R586 PolarHBondContact N-O 3.11Å; Q578-R586 PolarHBondContact O-N 2.84Å; R586-A622 HydrophobicContact CB-CB 3.96Å; R586-A622 HydrophobicContact CG-CB 4.48Å; R586-E672 PolarHBondContact NH2-O 2.92Å; R586-E672 VanDerWaalsContact NH2-O 3.12Å; R586-Y676 HydrophobicContact CB-CE1 4.05Å; R586-Y676 HydrophobicContact CB-CE2 4.14Å; R586-Y676 WeakPolarHBondContact CB-OH 3.39Å; R586-Y676 VanDerWaalsContact CD-CE2 3.46Å; R586-Y676 HydrophobicContact CG-CD1 3.98Å; R586-Y676 HydrophobicContact CG-CD2 4.29Å; R586-Y676 HydrophobicContact CG-CE1 3.52Å; R586-Y676 HydrophobicContact CG-CE2 3.92Å; R586-Y676 HydrophobicContact CG-CG 4.34Å; R586-Y676 PolarHBondContact N-OH 3.25Å
587	V	92.2	Very high	87.8	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.8	176.2	177.9	0	0	0	0	110.3	L548 P550 F555 C575 P621 A622	L548-V587 HydrophobicContact CB-CG2 4.08Å; L548-V587 HydrophobicContact CD1-CG1 3.79Å; L548-V587 HydrophobicContact CD1-CG2 3.99Å; L548-V587 HydrophobicContact CD2-CG2 4.23Å; L548-V587 HydrophobicContact CG-CG2 4.32Å; P550-V587 HydrophobicContact CB-CG2 4.01Å; P550-V587 HydrophobicContact CG-CG2 3.63Å; F555-V587 HydrophobicContact CE2-CG2 4.42Å; F555-V587 HydrophobicContact CZ-CG2 4Å; C575-V587 WeakPolarHBondContact SG-CG1 3.46Å; V587-P621 HydrophobicContact CB-CB 4.49Å; V587-P621 HydrophobicContact CG1-CB 4.05Å; V587-P621 HydrophobicContact CG1-CG 4.25Å; V587-A622 PolarHBondContact O-N 3.31Å
588	I	95.3	Very high	87.9	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.2	172.6	-53.7	157	0	0	0	108.3	C575 V576 Q578 F590 L623 L625 I647 L673	C575-I588 WeakPolarHBondContact CA-O 3.37Å; V576-I588 HydrophobicContact CG2-CB 4.27Å; V576-I588 PolarHBondContact N-O 3.43Å; V576-I588 PolarHBondContact O-N 3.16Å; Q578-I588 HydrophobicContact CB-CD1 3.59Å; Q578-I588 HydrophobicContact CB-CG1 4.38Å; Q578-I588 HydrophobicContact CG-CD1 4.38Å; I588-F590 HydrophobicContact CB-CE2 4.19Å; I588-F590 HydrophobicContact CG2-CD2 4.02Å; I588-F590 HydrophobicContact CG2-CE1 4.27Å; I588-F590 HydrophobicContact CG2-CE2 3.58Å; I588-F590 HydrophobicContact CG2-CZ 3.74Å; I588-L623 HydrophobicContact CG2-CB 4.28Å; I588-L625 HydrophobicContact CG2-CD1 4.03Å; I588-L625 HydrophobicContact CG2-CG 4.4Å; I588-I647 HydrophobicContact CD1-CD1 4.24Å; I588-L673 HydrophobicContact CD1-CD1 3.84Å; I588-L673 HydrophobicContact CD1-CD2 3.4Å; I588-L673 VanDerWaalsContact CD1-CD2 3.4Å; I588-L673 HydrophobicContact CD1-CG 4.25Å; I588-L673 HydrophobicContact CG1-CD2 4.03Å; I588-L673 HydrophobicContact CG2-CD2 4.47Å
589	L	95.7	Very high	88.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	112.5	172.9	175.7	65.9	0	0	0	109.6	I560 V564 C575 L591 I607 I611 P621 L623 L624 L625	I560-L589 HydrophobicContact CG2-CD1 4.02Å; I560-L589 HydrophobicContact CG2-CD2 3.99Å; V564-L589 HydrophobicContact CG2-CD2 3.67Å; C575-L589 HydrophobicContact CB-CD1 4.11Å; L589-L591 HydrophobicContact CD1-CD2 4.31Å; L589-L591 HydrophobicContact CD2-CD2 3.97Å; L589-L591 HydrophobicContact CG-CD2 3.84Å; L589-I607 HydrophobicContact CD2-CG2 4.25Å; L589-I611 HydrophobicContact CD2-CD1 4.38Å; L589-P621 HydrophobicContact CB-CB 3.87Å; L589-P621 HydrophobicContact CB-CG 3.72Å; L589-P621 HydrophobicContact CD2-CG 4.18Å; L589-L623 PolarHBondContact N-O 2.85Å; L589-L624 HydrophobicContact CB-CG 4.17Å; L589-L624 HydrophobicContact CD2-CD2 4.13Å; L589-L624 HydrophobicContact CD2-CG 4.06Å; L589-L624 HydrophobicContact CG-CG 4.44Å; L589-L624 CarbonylContact O-C 3.48Å; L589-L624 VanDerWaalsContact O-CA 3.25Å; L589-L624 WeakPolarHBondContact O-CA 3.26Å; L589-L625 PolarHBondContact O-N 3.17Å
590	F	96.7	Very high	88.5	Confident	3 Å²	3	54.4 Å²	54.4	1%	0.013	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	135.2	172.3	-67	-81.5	0	0	0	110.4	S573 L574 V576 I588 L625 T627 I647 Y667 I670 L673	S573-F590 CarbonylContact C-O 3.59Å; S573-F590 WeakPolarHBondContact CA-O 3.46Å; S573-F590 WeakPolarHBondContact CB-O 3.43Å; L574-F590 HydrophobicContact CB-CB 4.43Å; L574-F590 PolarHBondContact N-O 3.08Å; L574-F590 PolarHBondContact O-N 2.96Å; V576-F590 HydrophobicContact CG2-CD2 4.03Å; V576-F590 HydrophobicContact CG2-CE2 3.58Å; I588-F590 HydrophobicContact CB-CE2 4.19Å; I588-F590 HydrophobicContact CG2-CD2 4.02Å; I588-F590 HydrophobicContact CG2-CE1 4.27Å; I588-F590 HydrophobicContact CG2-CE2 3.58Å; I588-F590 HydrophobicContact CG2-CZ 3.74Å; F590-L625 CarbonylContact C-O 3.53Å; F590-L625 VanDerWaalsContact CA-O 3.29Å; F590-L625 WeakPolarHBondContact CA-O 3.47Å; F590-L625 HydrophobicContact CD1-CB 3.92Å; F590-L625 HydrophobicContact CE1-CB 4.01Å; F590-L625 HydrophobicContact CE1-CD1 3.9Å; F590-L625 HydrophobicContact CZ-CD1 4.37Å; F590-T627 HydrophobicContact CB-CG2 3.85Å; F590-I647 HydrophobicContact CE2-CD1 3.83Å; F590-I647 HydrophobicContact CZ-CD1 4Å; F590-Y667 HydrophobicContact CB-CE1 4.19Å; F590-Y667 HydrophobicContact CD1-CD1 4.26Å; F590-Y667 AromaticContact CD1-CE1 3.93Å; F590-Y667 HydrophobicContact CD1-CE1 3.93Å; F590-Y667 HydrophobicContact CD2-CD1 4.06Å; F590-Y667 AromaticContact CD2-CE1 3.67Å; F590-Y667 HydrophobicContact CD2-CE1 3.67Å; F590-Y667 HydrophobicContact CE1-CD1 4.02Å; F590-Y667 HydrophobicContact CE1-CE1 4.17Å; F590-Y667 AromaticContact CE2-CD1 3.8Å; F590-Y667 HydrophobicContact CE2-CD1 3.8Å; F590-Y667 AromaticContact CE2-CE1 3.92Å; F590-Y667 HydrophobicContact CE2-CE1 3.92Å; F590-Y667 HydrophobicContact CG-CD1 4.26Å; F590-Y667 AromaticContact CG-CE1 3.65Å; F590-Y667 HydrophobicContact CG-CE1 3.65Å; F590-Y667 AromaticContact CZ-CD1 3.75Å; F590-Y667 HydrophobicContact CZ-CD1 3.75Å; F590-Y667 HydrophobicContact CZ-CE1 4.14Å; F590-I670 HydrophobicContact CE1-CD1 3.58Å; F590-I670 HydrophobicContact CZ-CD1 3.72Å; F590-L673 HydrophobicContact CZ-CD1 4.03Å
591	L	96	Very high	89	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.8	179.6	-57.7	-176.1	0	0	0	110	V564 V570 L589 M593 F599 I607 L624 L625 E626 T627	V564-L591 HydrophobicContact CG1-CD2 3.59Å; V570-L591 HydrophobicContact CG1-CD2 4.14Å; V570-L591 HydrophobicContact CG2-CD1 4.27Å; V570-L591 HydrophobicContact CG2-CD2 4.36Å; L589-L591 HydrophobicContact CD1-CD2 4.31Å; L589-L591 HydrophobicContact CD2-CD2 3.97Å; L589-L591 HydrophobicContact CG-CD2 3.84Å; L591-M593 HydrophobicContact CB-SD 4.17Å; L591-F599 HydrophobicContact CD1-CD2 4.35Å; L591-F599 HydrophobicContact CD1-CE2 3.98Å; L591-I607 HydrophobicContact CD1-CD1 3.47Å; L591-I607 VanDerWaalsContact CD1-CD1 3.47Å; L591-I607 HydrophobicContact CD2-CD1 4.47Å; L591-L624 HydrophobicContact CD1-CD2 4.41Å; L591-L625 PolarHBondContact N-O 2.96Å; L591-E626 CarbonylContact O-C 3.35Å; L591-E626 WeakPolarHBondContact O-CA 3.23Å; L591-T627 PolarHBondContact O-N 3.45Å
592	K	94.2	Very high	89.9	Confident	61 Å²	61	59.3 Å²	59.3	27%	0.265	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	113.7	166.9	-172.7	-173.7	-179.9	171.1	0	108.5	S571 D572 T627 K628 D629 I630	S571-K592 PolarHBondContact N-O 3.26Å; S571-K592 WeakPolarHBondContact OG-CG 3.49Å; S571-K592 PolarHBondContact OG-O 2.91Å; D572-K592 HydrophobicContact CB-CB 3.98Å; D572-K592 HydrophobicContact CB-CD 4.13Å; D572-K592 PolarHBondContact N-O 3.44Å; D572-K592 PolarHBondContact O-N 3.19Å; K592-T627 WeakPolarHBondContact CA-O 3.42Å; K592-K628 WeakPolarHBondContact CE-O 3.45Å; K592-D629 IonicContact NZ-OD1 3.57Å; K592-D629 PolarHBondContact NZ-OD1 3.16Å; K592-I630 HydrophobicContact CB-CD1 4.34Å; K592-I630 HydrophobicContact CB-CG1 4.16Å
593	M	96	Very high	91.1	Very high	23 Å²	23	55 Å²	55	11%	0.113	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	143.3	-173.9	-60.5	-48.3	-63.1	0	0	112.9	E569 S571 L591 K597 F599 L603 E626	E569-M593 HydrophobicContact CB-CE 3.97Å; E569-M593 WeakPolarHBondContact O-CE 3.38Å; S571-M593 PolarHBondContact OG-O 2.86Å; L591-M593 HydrophobicContact CB-SD 4.17Å; M593-K597 WeakPolarHBondContact CB-O 3.48Å; M593-K597 WeakPolarHBondContact CE-O 3.37Å; M593-F599 HydrophobicContact CE-CB 4.49Å; M593-F599 HydrophobicContact CG-CB 3.98Å; M593-F599 HydrophobicContact SD-CB 4.03Å; M593-F599 HydrophobicContact SD-CD2 3.94Å; M593-F599 HydrophobicContact SD-CG 4.5Å; M593-L603 HydrophobicContact CE-CD2 3.39Å; M593-L603 HydrophobicContact SD-CD2 4.17Å; M593-E626 HydrophobicContact CG-CG 3.97Å; M593-E626 WeakPolarHBondContact CG-OE1 3.18Å
594	A	88.9	Confident	92.2	Very high	17 Å²	17	54 Å²	54	14%	0.14	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-66.2	151.5	172.2	0	0	0	0	0	111.4	E568 E569 R596 K597	E568-A594 WeakPolarHBondContact O-CB 3.49Å; E569-A594 PolarHBondContact O-N 3.06Å; A594-R596 PolarHBondContact O-N 3.27Å; A594-K597 HydrophobicContact CB-CB 4.33Å; A594-K597 HydrophobicContact CB-CG 4.16Å; A594-K597 PolarHBondContact O-N 3.19Å
595	P	88.8	Confident	93	Very high	114 Å²	114	56.4 Å²	56.4	74%	0.74	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	127.4	-179	-26.8	34.5	0	0	0	112.4	K597	P595-K597 VanDerWaalsContact C-N 3.28Å; P595-K597 PolarHBondContact O-N 3.18Å
596	R	90.6	Very high	93.4	Very high	244 Å²	244	60.4 Å²	60.4	92%	0.921	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	18.7	-179.6	-54.4	175.7	-79.3	-173	-6	115.1	A594	A594-R596 PolarHBondContact O-N 3.27Å
597	K	92.1	Very high	93.6	Very high	88 Å²	88	58.5 Å²	58.5	38%	0.383	30%	0.298	S	S	.	.			trans	-114.7	101.9	172.8	-62.6	-74.1	-167.5	155.2	0	109.2	E569 M593 A594 P595	E569-K597 HydrophobicContact CB-CB 4.2Å; E569-K597 HydrophobicContact CG-CB 4.4Å; E569-K597 HydrophobicContact CG-CD 4.28Å; M593-K597 WeakPolarHBondContact CB-O 3.48Å; M593-K597 WeakPolarHBondContact CE-O 3.37Å; A594-K597 HydrophobicContact CB-CB 4.33Å; A594-K597 HydrophobicContact CB-CG 4.16Å; A594-K597 PolarHBondContact O-N 3.19Å; P595-K597 VanDerWaalsContact C-N 3.28Å; P595-K597 PolarHBondContact O-N 3.18Å
598	P	91.6	Very high	93.7	Very high	95 Å²	95	61.1 Å²	61.1	62%	0.617	31%	0.309	S	S	*	.			trans	-74.1	146.8	-174.4	29.4	-34.5	0	0	0	112.5	H600	P598-H600 PolarHBondContact O-ND1 2.89Å
599	F	94.6	Very high	93.6	Very high	59 Å²	59	62.7 Å²	62.7	26%	0.259	33%	0.325	S	S	.	.			trans	-66.3	132.5	167	-175.6	-99.1	0	0	0	110.2	L591 M593 V604 L624 E626	L591-F599 HydrophobicContact CD1-CD2 4.35Å; L591-F599 HydrophobicContact CD1-CE2 3.98Å; M593-F599 HydrophobicContact CE-CB 4.49Å; M593-F599 HydrophobicContact CG-CB 3.98Å; M593-F599 HydrophobicContact SD-CB 4.03Å; M593-F599 HydrophobicContact SD-CD2 3.94Å; M593-F599 HydrophobicContact SD-CG 4.5Å; F599-V604 HydrophobicContact CE1-CG2 4.14Å; F599-V604 HydrophobicContact CE2-CG2 3.76Å; F599-V604 HydrophobicContact CZ-CG2 3.36Å; F599-L624 WeakPolarHBondContact CZ-O 3.46Å; F599-E626 HydrophobicContact CB-CB 3.92Å; F599-E626 HydrophobicContact CB-CG 4.1Å; F599-E626 WeakPolarHBondContact CB-OE2 3.49Å; F599-E626 HydrophobicContact CD1-CB 4.14Å; F599-E626 HydrophobicContact CD2-CB 4.06Å; F599-E626 HydrophobicContact CG-CB 3.79Å; F599-E626 HydrophobicContact CG-CG 4.48Å
600	H	93.1	Very high	93.4	Very high	53 Å²	53	64 Å²	64	25%	0.245	34%	0.336	C	S	.	.			trans	-152.9	155.7	-177.7	60.7	-67.2	0	0	0	111.8	P598 E602 L603 V604	P598-H600 PolarHBondContact O-ND1 2.89Å; H600-E602 VanDerWaalsContact C-N 3.26Å; H600-E602 PolarHBondContact O-N 2.75Å; H600-L603 WeakPolarHBondContact O-CB 3.24Å; H600-L603 PolarHBondContact O-N 2.96Å; H600-L603 VanDerWaalsContact O-N 3.08Å; H600-V604 PolarHBondContact O-N 3.36Å
601	P	93.1	Very high	93	Very high	107 Å²	107	63.9 Å²	63.9	70%	0.695	34%	0.335	S	S	*	.	H	α-helix	trans	-60.1	-29.5	-175.2	-26.8	35.8	0	0	0	115.1	V604 T605	P601-V604 WeakPolarHBondContact O-CB 3.34Å; P601-V604 PolarHBondContact O-N 3.49Å; P601-T605 PolarHBondContact O-N 3.06Å; P601-T605 PolarHBondContact O-OG1 3.21Å; P601-T605 VanDerWaalsContact O-OG1 3.06Å
602	E	93.8	Very high	92.8	Very high	128 Å²	128	70.7 Å²	70.7	60%	0.598	36%	0.361	S	S	*	.	H	α-helix	trans	-67.2	-38.7	176.7	-55	-175.7	173.7	0	0	111.6	H600 V604 T605 K606	H600-E602 VanDerWaalsContact C-N 3.26Å; H600-E602 PolarHBondContact O-N 2.75Å; E602-V604 VanDerWaalsContact C-N 3.34Å; E602-V604 PolarHBondContact O-N 3.36Å; E602-T605 PolarHBondContact O-N 3.07Å; E602-K606 VanDerWaalsContact O-CG 3.3Å; E602-K606 WeakPolarHBondContact O-CG 3.25Å; E602-K606 PolarHBondContact O-N 2.93Å
603	L	94.3	Very high	92.5	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-60.9	-43.7	173.7	179.3	63.3	0	0	0	111.3	F567 E569 M593 H600 T605 K606 I607	F567-L603 HydrophobicContact CD1-CD1 4.06Å; E569-L603 HydrophobicContact CB-CD1 4.13Å; E569-L603 HydrophobicContact CB-CD2 3.97Å; E569-L603 HydrophobicContact CG-CD1 4.36Å; M593-L603 HydrophobicContact CE-CD2 3.39Å; M593-L603 HydrophobicContact SD-CD2 4.17Å; H600-L603 WeakPolarHBondContact O-CB 3.24Å; H600-L603 PolarHBondContact O-N 2.96Å; H600-L603 VanDerWaalsContact O-N 3.08Å; L603-T605 VanDerWaalsContact C-N 3.27Å; L603-T605 PolarHBondContact O-N 3.16Å; L603-K606 PolarHBondContact O-N 3.34Å; L603-I607 HydrophobicContact CD1-CD1 3.81Å; L603-I607 HydrophobicContact CD1-CG1 4.02Å; L603-I607 HydrophobicContact CD2-CD1 4.4Å; L603-I607 HydrophobicContact CG-CD1 3.76Å; L603-I607 HydrophobicContact CG-CG1 4.34Å; L603-I607 WeakPolarHBondContact O-CG1 3.27Å; L603-I607 PolarHBondContact O-N 2.86Å
604	V	95	Very high	91.9	Very high	26 Å²	26	75.5 Å²	75.5	16%	0.158	38%	0.384	C	S	.	.	H	α-helix	trans	-56.8	-45.2	175.4	173.2	0	0	0	0	110.6	F599 H600 P601 E602 K608 L624	F599-V604 HydrophobicContact CE1-CG2 4.14Å; F599-V604 HydrophobicContact CE2-CG2 3.76Å; F599-V604 HydrophobicContact CZ-CG2 3.36Å; H600-V604 PolarHBondContact O-N 3.36Å; P601-V604 WeakPolarHBondContact O-CB 3.34Å; P601-V604 PolarHBondContact O-N 3.49Å; E602-V604 VanDerWaalsContact C-N 3.34Å; E602-V604 PolarHBondContact O-N 3.36Å; V604-K608 HydrophobicContact CG1-CD 4.34Å; V604-K608 WeakPolarHBondContact O-CB 3.29Å; V604-K608 WeakPolarHBondContact O-CG 3.48Å; V604-K608 PolarHBondContact O-N 3.19Å; V604-L624 HydrophobicContact CG1-CB 4.1Å; V604-L624 HydrophobicContact CG1-CD1 4.44Å; V604-L624 HydrophobicContact CG1-CD2 4.2Å; V604-L624 HydrophobicContact CG1-CG 4.49Å; V604-L624 HydrophobicContact CG2-CB 4.09Å
605	T	95	Very high	91.7	Very high	101 Å²	101	74.8 Å²	74.8	62%	0.62	38%	0.378	S	S	*	.	H	α-helix	trans	-65	-43.7	179	-57.2	0	0	0	0	111.5	P601 E602 L603 G609	P601-T605 PolarHBondContact O-N 3.06Å; P601-T605 PolarHBondContact O-OG1 3.21Å; P601-T605 VanDerWaalsContact O-OG1 3.06Å; E602-T605 PolarHBondContact O-N 3.07Å; L603-T605 VanDerWaalsContact C-N 3.27Å; L603-T605 PolarHBondContact O-N 3.16Å; T605-G609 PolarHBondContact O-N 2.88Å
606	K	94.2	Very high	91.5	Very high	105 Å²	105	69.5 Å²	69.5	46%	0.457	34%	0.343	S	S	.	.	H	α-helix	trans	-61.4	-48.1	176.7	-72.7	172.7	-175.9	172.2	0	111.7	F567 E602 L603 G609 A610	F567-K606 HydrophobicContact CE1-CB 4.09Å; E602-K606 VanDerWaalsContact O-CG 3.3Å; E602-K606 WeakPolarHBondContact O-CG 3.25Å; E602-K606 PolarHBondContact O-N 2.93Å; L603-K606 PolarHBondContact O-N 3.34Å; K606-G609 PolarHBondContact O-N 3.26Å; K606-A610 WeakPolarHBondContact O-CB 3.25Å; K606-A610 PolarHBondContact O-N 3.3Å
607	I	93.9	Very high	91.4	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.6	-48.3	178.8	-67.6	171.6	0	0	0	110.6	V564 F567 V570 L589 L591 L603 G609 A610 I611 L624	V564-I607 HydrophobicContact CG2-CG2 3.95Å; F567-I607 HydrophobicContact CD1-CG1 4.09Å; F567-I607 HydrophobicContact CD2-CG1 4.19Å; F567-I607 HydrophobicContact CE1-CG1 3.96Å; F567-I607 HydrophobicContact CE2-CG1 4.06Å; F567-I607 HydrophobicContact CG-CG1 4.2Å; F567-I607 HydrophobicContact CZ-CG1 3.93Å; V570-I607 HydrophobicContact CG2-CD1 4.07Å; L589-I607 HydrophobicContact CD2-CG2 4.25Å; L591-I607 HydrophobicContact CD1-CD1 3.47Å; L591-I607 VanDerWaalsContact CD1-CD1 3.47Å; L591-I607 HydrophobicContact CD2-CD1 4.47Å; L603-I607 HydrophobicContact CD1-CD1 3.81Å; L603-I607 HydrophobicContact CD1-CG1 4.02Å; L603-I607 HydrophobicContact CD2-CD1 4.4Å; L603-I607 HydrophobicContact CG-CD1 3.76Å; L603-I607 HydrophobicContact CG-CG1 4.34Å; L603-I607 WeakPolarHBondContact O-CG1 3.27Å; L603-I607 PolarHBondContact O-N 2.86Å; I607-G609 VanDerWaalsContact C-N 3.25Å; I607-G609 PolarHBondContact O-N 3.08Å; I607-A610 PolarHBondContact O-N 2.83Å; I607-I611 HydrophobicContact CG2-CD1 3.75Å; I607-I611 HydrophobicContact CG2-CG1 4.33Å; I607-I611 WeakPolarHBondContact O-CG1 3.32Å; I607-I611 PolarHBondContact O-N 3.38Å; I607-L624 HydrophobicContact CB-CD2 3.89Å; I607-L624 HydrophobicContact CD1-CD2 4.36Å; I607-L624 HydrophobicContact CG2-CD2 3.68Å
608	K	95.4	Very high	91	Very high	60 Å²	60	60.5 Å²	60.5	26%	0.261	32%	0.321	S	S	.	.	H	α-helix	trans	-58	-39.8	175.8	-73.5	-168.5	176.7	-166.1	0	111.6	V604 R612 I620 P621 A622 L624	V604-K608 HydrophobicContact CG1-CD 4.34Å; V604-K608 WeakPolarHBondContact O-CB 3.29Å; V604-K608 WeakPolarHBondContact O-CG 3.48Å; V604-K608 PolarHBondContact O-N 3.19Å; K608-R612 WeakPolarHBondContact O-CB 3.42Å; K608-R612 PolarHBondContact O-N 2.8Å; K608-I620 HydrophobicContact CB-CG2 4.04Å; K608-I620 HydrophobicContact CD-CG2 3.9Å; K608-I620 HydrophobicContact CG-CG2 3.76Å; K608-P621 WeakPolarHBondContact CE-O 3.47Å; K608-A622 PolarHBondContact NZ-O 3.15Å; K608-L624 HydrophobicContact CD-CD1 4.26Å; K608-L624 HydrophobicContact CG-CD1 3.87Å; K608-L624 HydrophobicContact CG-CD2 4.49Å
609	G	93.8	Very high	90.7	Very high	33 Å²	33	56.3 Å²	56.3	34%	0.34	29%	0.293	S	S	.	.	H	α-helix	trans	-64	-44.6	175.3	0	0	0	0	0	113.2	T605 K606 I607 R612 K613	T605-G609 PolarHBondContact O-N 2.88Å; K606-G609 PolarHBondContact O-N 3.26Å; I607-G609 VanDerWaalsContact C-N 3.25Å; I607-G609 PolarHBondContact O-N 3.08Å; G609-R612 PolarHBondContact O-N 3.35Å; G609-K613 WeakPolarHBondContact O-CB 3.5Å; G609-K613 PolarHBondContact O-N 3.13Å
610	A	90.6	Very high	90.7	Very high	28 Å²	28	55.1 Å²	55.1	23%	0.231	29%	0.289	C	S	.	.	H	α-helix	trans	-65.2	-45.7	177.8	0	0	0	0	0	112.2	I563 F567 K606 I607 R612 K613 A614	I563-A610 HydrophobicContact CG2-CB 3.95Å; F567-A610 HydrophobicContact CE2-CB 3.92Å; F567-A610 HydrophobicContact CZ-CB 3.62Å; K606-A610 WeakPolarHBondContact O-CB 3.25Å; K606-A610 PolarHBondContact O-N 3.3Å; I607-A610 PolarHBondContact O-N 2.83Å; A610-R612 VanDerWaalsContact C-N 3.34Å; A610-R612 PolarHBondContact O-N 2.91Å; A610-K613 PolarHBondContact O-N 3.19Å; A610-A614 WeakPolarHBondContact O-CB 3.19Å; A610-A614 PolarHBondContact O-N 3.28Å
611	I	89.1	Confident	90.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.1	-47.6	175.5	-67.6	169.5	0	0	0	110.5	I560 I563 V564 L589 I607 K613 A614 L615 H619 I620 P621	I560-I611 HydrophobicContact CG2-CD1 3.97Å; I563-I611 HydrophobicContact CB-CG1 4.5Å; I563-I611 HydrophobicContact CG2-CG1 4Å; V564-I611 HydrophobicContact CG2-CD1 4.31Å; L589-I611 HydrophobicContact CD2-CD1 4.38Å; I607-I611 HydrophobicContact CG2-CD1 3.75Å; I607-I611 HydrophobicContact CG2-CG1 4.33Å; I607-I611 WeakPolarHBondContact O-CG1 3.32Å; I607-I611 PolarHBondContact O-N 3.38Å; I611-K613 VanDerWaalsContact C-N 3.3Å; I611-K613 PolarHBondContact O-N 2.62Å; I611-A614 PolarHBondContact O-N 3.07Å; I611-L615 HydrophobicContact CG2-CD1 4.43Å; I611-L615 PolarHBondContact O-N 3.17Å; I611-H619 HydrophobicContact CG2-CB 3.86Å; I611-H619 WeakPolarHBondContact CG2-O 3.24Å; I611-I620 HydrophobicContact CG2-CG1 4.29Å; I611-P621 HydrophobicContact CD1-CG 4.38Å
612	R	91.6	Very high	90.7	Very high	142 Å²	142	49.8 Å²	49.8	54%	0.536	26%	0.263	S	S	.	.	H	α-helix	trans	-56.4	-44.8	177.2	-176.9	177.1	-80.7	131.1	-2	112.1	K608 G609 A610 A617 I620	K608-R612 WeakPolarHBondContact O-CB 3.42Å; K608-R612 PolarHBondContact O-N 2.8Å; G609-R612 PolarHBondContact O-N 3.35Å; A610-R612 VanDerWaalsContact C-N 3.34Å; A610-R612 PolarHBondContact O-N 2.91Å; R612-A617 HydrophobicContact CG-CB 4.37Å; R612-I620 HydrophobicContact CB-CD1 3.72Å; R612-I620 HydrophobicContact CB-CG1 4.19Å; R612-I620 HydrophobicContact CG-CD1 4.1Å; R612-I620 VanDerWaalsContact NE-CD1 3.32Å; R612-I620 VanDerWaalsContact NH2-CD1 3.26Å
613	K	87.6	Confident	90.7	Very high	170 Å²	170	45.9 Å²	45.9	74%	0.739	25%	0.246	S	C	*	.	H	α-helix	trans	-72.8	-42.4	-175	-176.9	178.9	178.5	179.8	0	112.1	G609 A610 I611	G609-K613 WeakPolarHBondContact O-CB 3.5Å; G609-K613 PolarHBondContact O-N 3.13Å; A610-K613 PolarHBondContact O-N 3.19Å; I611-K613 VanDerWaalsContact C-N 3.3Å; I611-K613 PolarHBondContact O-N 2.62Å
614	A	82.6	Confident	90.9	Very high	15 Å²	15	46.5 Å²	46.5	12%	0.124	25%	0.249	C	C	.	.	H	α-helix	trans	-81	-38.6	-175.1	0	0	0	0	0	112.8	G190 N192 G193 I563 A610 I611	G190-A614 CarbonylContact C-O 3.54Å; G190-A614 WeakPolarHBondContact CA-O 3.42Å; N192-A614 HydrophobicContact CB-CB 4.27Å; N192-A614 PolarHBondContact N-O 3.33Å; G193-A614 PolarHBondContact N-O 3.46Å; I563-A614 HydrophobicContact CD1-CB 3.63Å; I563-A614 HydrophobicContact CG1-CB 4.06Å; A610-A614 WeakPolarHBondContact O-CB 3.19Å; A610-A614 PolarHBondContact O-N 3.28Å; I611-A614 PolarHBondContact O-N 3.07Å
615	L	84.8	Confident	90.9	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	25%	0.247	C	C	.	.	S	Bend	trans	-107.7	-96.2	179.4	-52.7	176.5	0	0	0	110.6	F189 G190 E559 I563 I611 H619	F189-L615 CarbonylContact C-O 3.58Å; G190-L615 WeakPolarHBondContact CA-O 3.47Å; G190-L615 PolarHBondContact N-O 3.14Å; E559-L615 HydrophobicContact CB-CD1 3.93Å; E559-L615 HydrophobicContact CB-CD2 4.45Å; I563-L615 HydrophobicContact CD1-CD1 3.58Å; I563-L615 HydrophobicContact CD1-CD2 3.92Å; I563-L615 HydrophobicContact CD1-CG 3.39Å; I611-L615 HydrophobicContact CG2-CD1 4.43Å; I611-L615 PolarHBondContact O-N 3.17Å; L615-H619 HydrophobicContact CB-CB 3.88Å; L615-H619 HydrophobicContact CD1-CB 3.83Å
616	S	85.7	Confident	91	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.014	24%	0.242	C	C	.	.			trans	-161.2	171.3	172.9	78.4	0	0	0	0	110.4	D188 R618 H619	D188-S616 WeakPolarHBondContact O-CB 3.32Å; S616-R618 PolarHBondContact O-N 3.45Å; S616-R618 VanDerWaalsContact O-N 3.11Å; S616-R618 PolarHBondContact OG-N 3.39Å; S616-H619 PolarHBondContact N-ND1 3.07Å; S616-H619 PolarHBondContact O-N 2.98Å; S616-H619 VanDerWaalsContact O-N 3.14Å; S616-H619 PolarHBondContact OG-ND1 2.99Å
617	A	87.8	Confident	91	Very high	65 Å²	65	42.2 Å²	42.2	54%	0.537	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-59.9	-21.7	174.4	0	0	0	0	0	113.5	R612 H619	R612-A617 HydrophobicContact CG-CB 4.37Å; A617-H619 VanDerWaalsContact C-N 3.35Å
618	R	82.8	Confident	91	Very high	79 Å²	79	50.7 Å²	50.7	30%	0.298	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-77.5	-19.8	-179.8	-56.2	173.8	-178.9	-152.1	0.9	113	D188 V553 F555 S616 I620	D188-R618 IonicContact OD2-CZ 3.81Å; D188-R618 IonicContact OD2-NE 3.57Å; D188-R618 PolarHBondContact OD2-NE 2.97Å; V553-R618 HydrophobicContact CB-CB 4.47Å; V553-R618 HydrophobicContact CG1-CB 3.86Å; V553-R618 HydrophobicContact CG2-CB 4.23Å; V553-R618 HydrophobicContact CG2-CG 4.33Å; F555-R618 WeakPolarHBondContact CE1-O 3.32Å; S616-R618 PolarHBondContact O-N 3.45Å; S616-R618 VanDerWaalsContact O-N 3.11Å; S616-R618 PolarHBondContact OG-N 3.39Å; R618-I620 VanDerWaalsContact C-N 3.35Å
619	H	86.9	Confident	90.9	Very high	7 Å²	7	49.9 Å²	49.9	3%	0.032	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-86.6	-3.8	-179.7	-66.5	82.4	0	0	0	113.5	F555 I611 L615 S616 A617 P621	F555-H619 AromaticContact CD1-CD2 3.81Å; F555-H619 AromaticContact CD2-CD2 3.9Å; F555-H619 AromaticContact CG-CD2 3.48Å; F555-H619 VanDerWaalsContact CG-CD2 3.48Å; F555-H619 WeakPolarHBondContact CG-CD2 3.36Å; F555-H619 AromaticContact CG-NE2 3.92Å; I611-H619 HydrophobicContact CG2-CB 3.86Å; I611-H619 WeakPolarHBondContact CG2-O 3.24Å; L615-H619 HydrophobicContact CB-CB 3.88Å; L615-H619 HydrophobicContact CD1-CB 3.83Å; S616-H619 PolarHBondContact N-ND1 3.07Å; S616-H619 PolarHBondContact O-N 2.98Å; S616-H619 VanDerWaalsContact O-N 3.14Å; S616-H619 PolarHBondContact OG-ND1 2.99Å; A617-H619 VanDerWaalsContact C-N 3.35Å; H619-P621 VanDerWaalsContact O-CD 3.28Å; H619-P621 WeakPolarHBondContact O-CD 3.38Å
620	I	93.1	Very high	90.8	Very high	33 Å²	33	48.3 Å²	48.3	17%	0.169	24%	0.243	C	C	.	.			trans	-74.8	121.4	-173.9	-56.9	173.3	0	0	0	109.7	K608 I611 R612 R618	K608-I620 HydrophobicContact CB-CG2 4.04Å; K608-I620 HydrophobicContact CD-CG2 3.9Å; K608-I620 HydrophobicContact CG-CG2 3.76Å; I611-I620 HydrophobicContact CG2-CG1 4.29Å; R612-I620 HydrophobicContact CB-CD1 3.72Å; R612-I620 HydrophobicContact CB-CG1 4.19Å; R612-I620 HydrophobicContact CG-CD1 4.1Å; R612-I620 VanDerWaalsContact NE-CD1 3.32Å; R612-I620 VanDerWaalsContact NH2-CD1 3.26Å; R618-I620 VanDerWaalsContact C-N 3.35Å
621	P	92.4	Very high	90.7	Very high	1 Å²	1	47 Å²	47	1%	0.006	23%	0.232	C	C	.	.			trans	-60.1	144.2	173.7	-24	35.2	0	0	0	112.1	I560 V587 L589 K608 I611 H619 L624	I560-P621 HydrophobicContact CD1-CG 4.11Å; V587-P621 HydrophobicContact CB-CB 4.49Å; V587-P621 HydrophobicContact CG1-CB 4.05Å; V587-P621 HydrophobicContact CG1-CG 4.25Å; L589-P621 HydrophobicContact CB-CB 3.87Å; L589-P621 HydrophobicContact CB-CG 3.72Å; L589-P621 HydrophobicContact CD2-CG 4.18Å; K608-P621 WeakPolarHBondContact CE-O 3.47Å; I611-P621 HydrophobicContact CD1-CG 4.38Å; H619-P621 VanDerWaalsContact O-CD 3.28Å; H619-P621 WeakPolarHBondContact O-CD 3.38Å; P621-L624 HydrophobicContact CB-CD1 4.02Å; P621-L624 HydrophobicContact CG-CD1 4.45Å
622	A	94.5	Very high	90.1	Very high	48 Å²	48	49.4 Å²	49.4	40%	0.397	24%	0.241	S	C	.	.	S	Bend	trans	-63.8	-47.8	176.6	0	0	0	0	0	110.2	R586 V587 K608	R586-A622 HydrophobicContact CB-CB 3.96Å; R586-A622 HydrophobicContact CG-CB 4.48Å; V587-A622 PolarHBondContact O-N 3.31Å; K608-A622 PolarHBondContact NZ-O 3.15Å
623	L	94.8	Very high	89.1	Confident	46 Å²	46	44.1 Å²	44.1	24%	0.241	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.9	-179.4	-61.6	179.2	0	0	0	111.3	I588 L589 L625 L673	I588-L623 HydrophobicContact CG2-CB 4.28Å; L589-L623 PolarHBondContact N-O 2.85Å; L623-L625 HydrophobicContact CB-CG 4.41Å; L623-L673 HydrophobicContact CD1-CD2 3.77Å
624	L	96.7	Very high	87.8	Confident	12 Å²	12	42.3 Å²	42.3	6%	0.063	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.3	166.4	-79.3	73.4	0	0	0	106.9	L589 L591 F599 V604 I607 K608 P621	L589-L624 HydrophobicContact CB-CG 4.17Å; L589-L624 HydrophobicContact CD2-CD2 4.13Å; L589-L624 HydrophobicContact CD2-CG 4.06Å; L589-L624 HydrophobicContact CG-CG 4.44Å; L589-L624 CarbonylContact O-C 3.48Å; L589-L624 VanDerWaalsContact O-CA 3.25Å; L589-L624 WeakPolarHBondContact O-CA 3.26Å; L591-L624 HydrophobicContact CD1-CD2 4.41Å; F599-L624 WeakPolarHBondContact CZ-O 3.46Å; V604-L624 HydrophobicContact CG1-CB 4.1Å; V604-L624 HydrophobicContact CG1-CD1 4.44Å; V604-L624 HydrophobicContact CG1-CD2 4.2Å; V604-L624 HydrophobicContact CG1-CG 4.49Å; V604-L624 HydrophobicContact CG2-CB 4.09Å; I607-L624 HydrophobicContact CB-CD2 3.89Å; I607-L624 HydrophobicContact CD1-CD2 4.36Å; I607-L624 HydrophobicContact CG2-CD2 3.68Å; K608-L624 HydrophobicContact CD-CD1 4.26Å; K608-L624 HydrophobicContact CG-CD1 3.87Å; K608-L624 HydrophobicContact CG-CD2 4.49Å; P621-L624 HydrophobicContact CB-CD1 4.02Å; P621-L624 HydrophobicContact CG-CD1 4.45Å
625	L	96.6	Very high	86.1	Confident	20 Å²	20	45.8 Å²	45.8	11%	0.105	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	144.7	-174.8	-59.7	177.4	0	0	0	110.1	I588 L589 F590 L591 L623 I670 E672 L673	I588-L625 HydrophobicContact CG2-CD1 4.03Å; I588-L625 HydrophobicContact CG2-CG 4.4Å; L589-L625 PolarHBondContact O-N 3.17Å; F590-L625 CarbonylContact C-O 3.53Å; F590-L625 VanDerWaalsContact CA-O 3.29Å; F590-L625 WeakPolarHBondContact CA-O 3.47Å; F590-L625 HydrophobicContact CD1-CB 3.92Å; F590-L625 HydrophobicContact CE1-CB 4.01Å; F590-L625 HydrophobicContact CE1-CD1 3.9Å; F590-L625 HydrophobicContact CZ-CD1 4.37Å; L591-L625 PolarHBondContact N-O 2.96Å; L623-L625 HydrophobicContact CB-CG 4.41Å; L625-I670 HydrophobicContact CD1-CG2 4.07Å; L625-E672 HydrophobicContact CD1-CB 4.29Å; L625-E672 HydrophobicContact CD2-CB 4.09Å; L625-E672 HydrophobicContact CD2-CG 4Å; L625-L673 HydrophobicContact CD1-CD2 3.84Å; L625-L673 HydrophobicContact CD1-CG 4.28Å
626	E	95.9	Very high	84.6	Confident	110 Å²	110	48.1 Å²	48.1	51%	0.514	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	142.4	170.6	-177.3	172.9	-153.6	0	0	110.3	L591 M593 F599	L591-E626 CarbonylContact O-C 3.35Å; L591-E626 WeakPolarHBondContact O-CA 3.23Å; M593-E626 HydrophobicContact CG-CG 3.97Å; M593-E626 WeakPolarHBondContact CG-OE1 3.18Å; F599-E626 HydrophobicContact CB-CB 3.92Å; F599-E626 HydrophobicContact CB-CG 4.1Å; F599-E626 WeakPolarHBondContact CB-OE2 3.49Å; F599-E626 HydrophobicContact CD1-CB 4.14Å; F599-E626 HydrophobicContact CD2-CB 4.06Å; F599-E626 HydrophobicContact CG-CB 3.79Å; F599-E626 HydrophobicContact CG-CG 4.48Å
627	T	95.1	Very high	83.5	Confident	12 Å²	12	53.2 Å²	53.2	7%	0.074	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.9	168.1	-174.4	0	0	0	0	110.7	F590 L591 K592 D629 I630	F590-T627 HydrophobicContact CB-CG2 3.85Å; L591-T627 PolarHBondContact O-N 3.45Å; K592-T627 WeakPolarHBondContact CA-O 3.42Å; T627-D629 PolarHBondContact OG1-O 2.71Å; T627-I630 HydrophobicContact CG2-CD1 3.47Å; T627-I630 VanDerWaalsContact CG2-CD1 3.47Å
628	K	94.4	Very high	83	Confident	178 Å²	178	51.6 Å²	51.6	77%	0.774	27%	0.273	S	S	*	.	S	Bend	trans	-79.7	-27.8	-179.8	-64.5	-176.2	-179.9	177.1	0	112.8	K592 L666	K592-K628 WeakPolarHBondContact CE-O 3.45Å; K628-L666 HydrophobicContact CB-CD1 3.92Å; K628-L666 HydrophobicContact CB-CD2 4.27Å; K628-L666 HydrophobicContact CD-CD2 4.45Å
629	D	93	Very high	83	Confident	43 Å²	43	48.6 Å²	48.6	23%	0.23	26%	0.263	C	S	.	.			trans	-157.5	154.8	-178.1	-156.9	21.6	0	0	0	112.9	K592 T627 N660 L666 Y667	K592-D629 IonicContact NZ-OD1 3.57Å; K592-D629 PolarHBondContact NZ-OD1 3.16Å; T627-D629 PolarHBondContact OG1-O 2.71Å; D629-N660 PolarHBondContact OD2-ND2 3.06Å; D629-L666 HydrophobicContact CB-CD1 3.74Å; D629-Y667 PolarHBondContact O-OH 3.09Å
630	I	90.5	Very high	83	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.266	C	S	.	.			trans	-108.3	128.1	178.1	-56.2	-50.7	0	0	0	109.1	D572 L574 K592 T627 Y632 K638 N660 Y667	D572-I630 HydrophobicContact CB-CG1 3.86Å; D572-I630 WeakPolarHBondContact OD2-CB 3.47Å; D572-I630 WeakPolarHBondContact OD2-CG1 3.31Å; L574-I630 HydrophobicContact CB-CD1 3.87Å; L574-I630 HydrophobicContact CB-CG2 4.01Å; L574-I630 HydrophobicContact CD1-CG2 4.16Å; K592-I630 HydrophobicContact CB-CD1 4.34Å; K592-I630 HydrophobicContact CB-CG1 4.16Å; T627-I630 HydrophobicContact CG2-CD1 3.47Å; T627-I630 VanDerWaalsContact CG2-CD1 3.47Å; I630-Y632 HydrophobicContact CB-CD2 4.48Å; I630-Y632 HydrophobicContact CB-CE2 3.82Å; I630-Y632 HydrophobicContact CG2-CD2 4.4Å; I630-Y632 HydrophobicContact CG2-CE2 3.78Å; I630-Y632 WeakPolarHBondContact O-CD2 3.41Å; I630-K638 HydrophobicContact CG2-CG 4.22Å; I630-N660 PolarHBondContact O-ND2 2.86Å; I630-Y667 WeakPolarHBondContact CD1-OH 3.16Å
631	P	89.4	Confident	82.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.276	C	S	.	.			trans	-72.7	136	178.4	25.8	-31.3	0	0	0	111.8	L574 V639 V643 S663 L664 Y667	L574-P631 HydrophobicContact CD2-CG 4.32Å; P631-V639 HydrophobicContact CB-CB 4.44Å; P631-V639 HydrophobicContact CB-CG2 4.49Å; P631-V639 PolarHBondContact O-N 3.47Å; P631-V643 HydrophobicContact CG-CG2 3.42Å; P631-V643 VanDerWaalsContact CG-CG2 3.42Å; P631-S663 WeakPolarHBondContact CA-OG 3.35Å; P631-S663 VanDerWaalsContact CB-OG 3.3Å; P631-S663 WeakPolarHBondContact CB-OG 3.41Å; P631-L664 HydrophobicContact CB-CD2 3.76Å; P631-L664 HydrophobicContact CB-CG 4.17Å; P631-L664 HydrophobicContact CG-CD2 3.85Å; P631-Y667 WeakPolarHBondContact CD-OH 3.33Å; P631-Y667 HydrophobicContact CG-CE2 4.19Å
632	Y	77.2	Confident	82	Confident	51 Å²	51	50.7 Å²	50.7	20%	0.2	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-126.2	147.1	178.6	-76.5	-85.8	0	0	0	112.2	D572 I630 G636 K637 K638 F658 S659 N660	D572-Y632 PolarHBondContact OD1-OH 3.42Å; D572-Y632 VanDerWaalsContact OD1-OH 3.13Å; D572-Y632 VanDerWaalsContact OD2-CE2 3.23Å; D572-Y632 WeakPolarHBondContact OD2-CE2 2.94Å; D572-Y632 VanDerWaalsContact OD2-CZ 3.27Å; D572-Y632 PolarHBondContact OD2-OH 3.06Å; I630-Y632 HydrophobicContact CB-CD2 4.48Å; I630-Y632 HydrophobicContact CB-CE2 3.82Å; I630-Y632 HydrophobicContact CG2-CD2 4.4Å; I630-Y632 HydrophobicContact CG2-CE2 3.78Å; I630-Y632 WeakPolarHBondContact O-CD2 3.41Å; Y632-G636 WeakPolarHBondContact CD1-O 3.37Å; Y632-K637 CarbonylContact C-O 3.58Å; Y632-K637 VanDerWaalsContact CA-O 3.28Å; Y632-K637 WeakPolarHBondContact CA-O 3.41Å; Y632-K638 HydrophobicContact CD1-CG 4.32Å; Y632-K638 HydrophobicContact CE1-CB 4.4Å; Y632-K638 HydrophobicContact CE1-CG 3.52Å; Y632-K638 WeakPolarHBondContact OH-CE 3.36Å; Y632-F658 CarbonylContact O-C 3.54Å; Y632-F658 WeakPolarHBondContact O-CA 3.09Å; Y632-F658 VanDerWaalsContact O-CB 3.31Å; Y632-F658 WeakPolarHBondContact O-CB 3.16Å; Y632-S659 VanDerWaalsContact CB-OG 3.3Å; Y632-S659 WeakPolarHBondContact CB-OG 3.33Å; Y632-S659 PolarHBondContact O-N 3.02Å; Y632-S659 PolarHBondContact O-OG 3.38Å; Y632-S659 VanDerWaalsContact O-OG 3.13Å; Y632-N660 PolarHBondContact N-OD1 3.3Å
633	T	69.4	Low	81.8	Confident	32 Å²	32	48.4 Å²	48.4	20%	0.196	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-68	161	162.5	62.1	0	0	0	0	110.5	S635 G636 K637 V639 F658 S659	T633-S635 PolarHBondContact O-N 2.93Å; T633-S635 PolarHBondContact OG1-N 3.16Å; T633-S635 PolarHBondContact OG1-OG 3.38Å; T633-G636 PolarHBondContact O-N 3.07Å; T633-K637 HydrophobicContact CG2-CB 4.48Å; T633-K637 PolarHBondContact N-O 3.42Å; T633-K637 WeakPolarHBondContact OG1-CB 3.45Å; T633-K637 PolarHBondContact OG1-N 3.28Å; T633-K637 VanDerWaalsContact OG1-N 3.11Å; T633-K637 PolarHBondContact OG1-O 3.37Å; T633-V639 HydrophobicContact CG2-CG2 3.84Å; T633-F658 HydrophobicContact CG2-CD1 4.39Å; T633-S659 PolarHBondContact O-OG 2.67Å
634	I	60.8	Low	81.5	Confident	131 Å²	131	48.2 Å²	48.2	67%	0.672	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-27.5	171.4	-62.2	165.7	0	0	0	111.9	G636 A657	I634-G636 VanDerWaalsContact C-N 3.27Å; I634-G636 PolarHBondContact O-N 3.28Å; I634-A657 PolarHBondContact N-O 3.45Å
635	S	46.8	Very low	81	Confident	89 Å²	89	51 Å²	51	62%	0.622	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	5.9	176.1	70.5	0	0	0	0	115.2	T633	T633-S635 PolarHBondContact O-N 2.93Å; T633-S635 PolarHBondContact OG1-N 3.16Å; T633-S635 PolarHBondContact OG1-OG 3.38Å
636	G	52.3	Low	80.6	Confident	51 Å²	51	50.5 Å²	50.5	53%	0.526	27%	0.265	S	S	.	.	S	Bend	trans	77.8	19.2	177	0	0	0	0	0	115.1	Y632 T633 I634	Y632-G636 WeakPolarHBondContact CD1-O 3.37Å; T633-G636 PolarHBondContact O-N 3.07Å; I634-G636 VanDerWaalsContact C-N 3.27Å; I634-G636 PolarHBondContact O-N 3.28Å
637	K	63	Low	80.4	Confident	109 Å²	109	46.5 Å²	46.5	47%	0.474	25%	0.247	S	C	.	.			trans	-96.1	137.6	174.6	-61.1	179.3	-174.7	164.6	0	112.4	Y632 T633	Y632-K637 CarbonylContact C-O 3.58Å; Y632-K637 VanDerWaalsContact CA-O 3.28Å; Y632-K637 WeakPolarHBondContact CA-O 3.41Å; T633-K637 HydrophobicContact CG2-CB 4.48Å; T633-K637 PolarHBondContact N-O 3.42Å; T633-K637 WeakPolarHBondContact OG1-CB 3.45Å; T633-K637 PolarHBondContact OG1-N 3.28Å; T633-K637 VanDerWaalsContact OG1-N 3.11Å; T633-K637 PolarHBondContact OG1-O 3.37Å
638	K	77.6	Confident	79.8	Confident	31 Å²	31	49 Å²	49	14%	0.135	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-54.6	147.8	168.9	-67.2	179	-179.6	-179.9	0	110.4	Y561 E565 D572 S573 L574 I630 Y632	Y561-K638 HydrophobicContact CD2-CD 4.25Å; Y561-K638 HydrophobicContact CE2-CD 3.78Å; E565-K638 IonicContact OE1-NZ 3.67Å; E565-K638 PolarHBondContact OE1-NZ 3.06Å; D572-K638 WeakPolarHBondContact OD1-CE 3.25Å; D572-K638 IonicContact OD1-NZ 3.17Å; D572-K638 PolarHBondContact OD1-NZ 3.19Å; S573-K638 WeakPolarHBondContact O-CD 3.36Å; S573-K638 WeakPolarHBondContact O-CE 3.39Å; S573-K638 PolarHBondContact O-NZ 2.98Å; L574-K638 HydrophobicContact CD1-CB 3.75Å; L574-K638 HydrophobicContact CD1-CD 4.31Å; L574-K638 HydrophobicContact CD1-CG 4.28Å; I630-K638 HydrophobicContact CG2-CG 4.22Å; Y632-K638 HydrophobicContact CD1-CG 4.32Å; Y632-K638 HydrophobicContact CE1-CB 4.4Å; Y632-K638 HydrophobicContact CE1-CG 3.52Å; Y632-K638 WeakPolarHBondContact OH-CE 3.36Å
639	V	83.4	Confident	79.3	Confident	16 Å²	16	43.9 Å²	43.9	10%	0.097	27%	0.267	C	S	.	.			trans	-117.1	66.1	-173.9	-161.8	0	0	0	0	111.5	P631 T633 V641 A642 V643 F658	P631-V639 HydrophobicContact CB-CB 4.44Å; P631-V639 HydrophobicContact CB-CG2 4.49Å; P631-V639 PolarHBondContact O-N 3.47Å; T633-V639 HydrophobicContact CG2-CG2 3.84Å; V639-V641 VanDerWaalsContact C-N 3.3Å; V639-V641 PolarHBondContact O-N 3.38Å; V639-A642 HydrophobicContact CB-CB 4.33Å; V639-A642 HydrophobicContact CG1-CB 3.38Å; V639-A642 PolarHBondContact O-N 3.37Å; V639-V643 PolarHBondContact O-N 2.73Å; V639-F658 HydrophobicContact CB-CE1 4.34Å; V639-F658 HydrophobicContact CG1-CD1 4.23Å; V639-F658 HydrophobicContact CG1-CE1 3.51Å; V639-F658 HydrophobicContact CG1-CZ 3.91Å; V639-F658 HydrophobicContact CG2-CD1 3.81Å; V639-F658 HydrophobicContact CG2-CE1 3.92Å
640	E	85.5	Confident	78.9	Confident	21 Å²	21	50.3 Å²	50.3	10%	0.098	29%	0.288	C	S	.	.	H	α-helix	trans	-57.8	-41.3	-178.2	-66.6	89.7	166	0	0	112.9	S557 Y561 L574 C575 V576 A642 V643 K644	S557-E640 PolarHBondContact OG-OE1 3.37Å; Y561-E640 WeakPolarHBondContact CE2-OE1 3.42Å; Y561-E640 PolarHBondContact OH-OE1 3.08Å; L574-E640 HydrophobicContact CD1-CG 3.91Å; C575-E640 VanDerWaalsContact O-CG 3.29Å; C575-E640 WeakPolarHBondContact O-CG 3.22Å; V576-E640 HydrophobicContact CG1-CB 4.15Å; V576-E640 HydrophobicContact CG1-CG 4.39Å; E640-A642 PolarHBondContact O-N 3.31Å; E640-V643 PolarHBondContact O-N 2.86Å; E640-K644 WeakPolarHBondContact O-CB 3.44Å; E640-K644 PolarHBondContact O-N 3.03Å
641	V	81.9	Confident	78.3	Confident	60 Å²	60	59.2 Å²	59.2	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-66.7	-39	-174.9	180	0	0	0	0	111.9	V639 K644 Q645	V639-V641 VanDerWaalsContact C-N 3.3Å; V639-V641 PolarHBondContact O-N 3.38Å; V641-K644 WeakPolarHBondContact O-CB 3.46Å; V641-K644 PolarHBondContact O-N 2.84Å; V641-Q645 WeakPolarHBondContact O-CG 3.41Å; V641-Q645 PolarHBondContact O-N 2.9Å; V641-Q645 VanDerWaalsContact O-N 3.1Å
642	A	84.1	Confident	77.8	Confident	5 Å²	5	60 Å²	60	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-69.2	-40.6	177.7	0	0	0	0	0	111.3	V639 E640 Q645 I646 V652 F658 L664	V639-A642 HydrophobicContact CB-CB 4.33Å; V639-A642 HydrophobicContact CG1-CB 3.38Å; V639-A642 PolarHBondContact O-N 3.37Å; E640-A642 PolarHBondContact O-N 3.31Å; A642-Q645 WeakPolarHBondContact O-CB 3.43Å; A642-Q645 PolarHBondContact O-N 3.12Å; A642-I646 WeakPolarHBondContact O-CG1 3.47Å; A642-I646 PolarHBondContact O-N 3.2Å; A642-I646 VanDerWaalsContact O-N 3.08Å; A642-V652 HydrophobicContact CB-CG1 4.11Å; A642-V652 HydrophobicContact CB-CG2 4.18Å; A642-F658 HydrophobicContact CB-CE2 4.44Å; A642-F658 HydrophobicContact CB-CZ 4.05Å; A642-L664 HydrophobicContact CB-CD2 3.99Å
643	V	89.3	Confident	77	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-66	-39.7	175.9	172.7	0	0	0	0	111.3	L574 V576 P631 V639 E640 Q645 I646 I647 L664 Y667	L574-V643 HydrophobicContact CD2-CB 3.87Å; L574-V643 HydrophobicContact CD2-CG1 3.96Å; L574-V643 HydrophobicContact CD2-CG2 3.55Å; V576-V643 HydrophobicContact CB-CG1 4.44Å; V576-V643 HydrophobicContact CG1-CB 4Å; V576-V643 HydrophobicContact CG1-CG1 3.83Å; V576-V643 HydrophobicContact CG2-CG1 4.11Å; P631-V643 HydrophobicContact CG-CG2 3.42Å; P631-V643 VanDerWaalsContact CG-CG2 3.42Å; V639-V643 PolarHBondContact O-N 2.73Å; E640-V643 PolarHBondContact O-N 2.86Å; V643-Q645 VanDerWaalsContact C-N 3.3Å; V643-Q645 PolarHBondContact O-N 2.94Å; V643-I646 PolarHBondContact O-N 3.33Å; V643-I647 HydrophobicContact CG1-CD1 3.75Å; V643-I647 HydrophobicContact CG1-CG1 4.3Å; V643-I647 WeakPolarHBondContact O-CG1 3.32Å; V643-I647 PolarHBondContact O-N 3.32Å; V643-L664 HydrophobicContact CG2-CD2 3.93Å; V643-Y667 HydrophobicContact CB-CD1 4.48Å; V643-Y667 HydrophobicContact CG1-CD1 3.35Å; V643-Y667 HydrophobicContact CG1-CD2 4.41Å; V643-Y667 HydrophobicContact CG1-CE1 3.85Å; V643-Y667 HydrophobicContact CG1-CG 3.67Å; V643-Y667 HydrophobicContact CG2-CD1 4.3Å; V643-Y667 HydrophobicContact CG2-CD2 4.03Å; V643-Y667 HydrophobicContact CG2-CE1 4.38Å; V643-Y667 HydrophobicContact CG2-CE2 4.17Å; V643-Y667 HydrophobicContact CG2-CG 4.12Å
644	K	88.2	Confident	76.9	Confident	42 Å²	42	68.1 Å²	68.1	18%	0.183	39%	0.39	C	S	.	.	H	α-helix	trans	-53.4	-46.5	170.4	171.2	-173.1	171.5	162.8	0	111.5	R543 P577 Y579 E640 V641 A648	R543-K644 PolarHBondContact O-NZ 3.33Å; P577-K644 HydrophobicContact CG-CB 4.47Å; P577-K644 HydrophobicContact CG-CD 3.76Å; P577-K644 HydrophobicContact CG-CG 4.1Å; Y579-K644 HydrophobicContact CE2-CD 4.26Å; Y579-K644 VanDerWaalsContact CE2-CE 3.44Å; E640-K644 WeakPolarHBondContact O-CB 3.44Å; E640-K644 PolarHBondContact O-N 3.03Å; V641-K644 WeakPolarHBondContact O-CB 3.46Å; V641-K644 PolarHBondContact O-N 2.84Å; K644-A648 WeakPolarHBondContact O-CB 3.25Å; K644-A648 PolarHBondContact O-N 2.77Å; K644-A648 VanDerWaalsContact O-N 3.11Å
645	Q	85.6	Confident	77.5	Confident	70 Å²	70	65.4 Å²	65.4	33%	0.327	37%	0.371	S	S	.	.	H	α-helix	trans	-62.2	-43.1	178.3	-74	178.5	-7.3	0	0	112.2	V641 A642 V643 A648 G649 R650 V652	V641-Q645 WeakPolarHBondContact O-CG 3.41Å; V641-Q645 PolarHBondContact O-N 2.9Å; V641-Q645 VanDerWaalsContact O-N 3.1Å; A642-Q645 WeakPolarHBondContact O-CB 3.43Å; A642-Q645 PolarHBondContact O-N 3.12Å; V643-Q645 VanDerWaalsContact C-N 3.3Å; V643-Q645 PolarHBondContact O-N 2.94Å; Q645-A648 CarbonylContact O-C 3.56Å; Q645-A648 PolarHBondContact O-N 2.75Å; Q645-G649 PolarHBondContact O-N 3.11Å; Q645-R650 HydrophobicContact CB-CB 4.26Å; Q645-R650 WeakPolarHBondContact O-CB 3.29Å; Q645-R650 PolarHBondContact O-N 3.3Å; Q645-V652 HydrophobicContact CB-CG2 4.11Å
646	I	89.8	Confident	78.2	Confident	9 Å²	9	64.7 Å²	64.7	5%	0.046	38%	0.378	C	S	.	.	H	α-helix	trans	-65.9	-43.9	-179.6	-69.2	169.2	0	0	0	111.9	A642 V643 A648 G649 V652 L664 K668	A642-I646 WeakPolarHBondContact O-CG1 3.47Å; A642-I646 PolarHBondContact O-N 3.2Å; A642-I646 VanDerWaalsContact O-N 3.08Å; V643-I646 PolarHBondContact O-N 3.33Å; I646-A648 PolarHBondContact O-N 3.31Å; I646-G649 PolarHBondContact O-N 3.22Å; I646-V652 HydrophobicContact CD1-CG2 4Å; I646-V652 HydrophobicContact CG1-CG2 3.68Å; I646-L664 HydrophobicContact CD1-CB 3.44Å; I646-L664 VanDerWaalsContact CD1-CB 3.44Å; I646-L664 HydrophobicContact CD1-CD1 4.23Å; I646-L664 HydrophobicContact CD1-CD2 3.56Å; I646-L664 HydrophobicContact CD1-CG 3.91Å; I646-L664 WeakPolarHBondContact CD1-O 3.42Å; I646-K668 HydrophobicContact CG2-CB 4.39Å; I646-K668 HydrophobicContact CG2-CG 3.47Å; I646-K668 VanDerWaalsContact CG2-CG 3.47Å
647	I	90.4	Very high	78.8	Confident	26 Å²	26	64.3 Å²	64.3	13%	0.133	37%	0.37	C	S	.	.	H	α-helix	trans	-62.2	-33.1	176.2	-68.2	170.1	0	0	0	110.5	V576 Q578 I588 F590 V643 G649 L673	V576-I647 HydrophobicContact CG2-CD1 3.58Å; Q578-I647 HydrophobicContact CB-CG2 4.22Å; Q578-I647 HydrophobicContact CG-CG2 3.77Å; I588-I647 HydrophobicContact CD1-CD1 4.24Å; F590-I647 HydrophobicContact CE2-CD1 3.83Å; F590-I647 HydrophobicContact CZ-CD1 4Å; V643-I647 HydrophobicContact CG1-CD1 3.75Å; V643-I647 HydrophobicContact CG1-CG1 4.3Å; V643-I647 WeakPolarHBondContact O-CG1 3.32Å; V643-I647 PolarHBondContact O-N 3.32Å; I647-G649 PolarHBondContact O-N 2.71Å; I647-L673 HydrophobicContact CD1-CD1 3.97Å; I647-L673 HydrophobicContact CG1-CD1 3.95Å; I647-L673 HydrophobicContact CG2-CD1 3.89Å
648	A	84	Confident	79.7	Confident	65 Å²	65	60.4 Å²	60.4	54%	0.537	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	6.6	173.6	0	0	0	0	0	114.1	K644 Q645 I646 R650	K644-A648 WeakPolarHBondContact O-CB 3.25Å; K644-A648 PolarHBondContact O-N 2.77Å; K644-A648 VanDerWaalsContact O-N 3.11Å; Q645-A648 CarbonylContact O-C 3.56Å; Q645-A648 PolarHBondContact O-N 2.75Å; I646-A648 PolarHBondContact O-N 3.31Å; A648-R650 VanDerWaalsContact C-N 3.27Å; A648-R650 HydrophobicContact CB-CG 4.44Å; A648-R650 PolarHBondContact O-N 3.08Å
649	G	83.9	Confident	79.6	Confident	71 Å²	71	62.4 Å²	62.4	73%	0.732	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	13.6	179.5	0	0	0	0	0	114.8	Q645 I646 I647	Q645-G649 PolarHBondContact O-N 3.11Å; I646-G649 PolarHBondContact O-N 3.22Å; I647-G649 PolarHBondContact O-N 2.71Å
650	R	83.4	Confident	79.8	Confident	177 Å²	177	63.2 Å²	63.2	67%	0.668	38%	0.375	S	S	*	.			trans	-91.3	150.9	179.4	-58.3	-177.7	-177.1	179.1	-0	111.3	Q645 A648	Q645-R650 HydrophobicContact CB-CB 4.26Å; Q645-R650 WeakPolarHBondContact O-CB 3.29Å; Q645-R650 PolarHBondContact O-N 3.3Å; A648-R650 VanDerWaalsContact C-N 3.27Å; A648-R650 HydrophobicContact CB-CG 4.44Å; A648-R650 PolarHBondContact O-N 3.08Å
651	E	78.6	Confident	79.8	Confident	188 Å²	188	64 Å²	64	88%	0.879	38%	0.381	S	S	*	.			trans	-78.9	144	172.1	-67.4	-160.3	156.7	0	0	112
652	V	78.8	Confident	80.2	Confident	15 Å²	15	67.1 Å²	67.1	9%	0.091	40%	0.396	C	S	.	.			trans	-101.3	103.2	174.5	-179.3	0	0	0	0	108	A642 Q645 I646 Q654 F658	A642-V652 HydrophobicContact CB-CG1 4.11Å; A642-V652 HydrophobicContact CB-CG2 4.18Å; Q645-V652 HydrophobicContact CB-CG2 4.11Å; I646-V652 HydrophobicContact CD1-CG2 4Å; I646-V652 HydrophobicContact CG1-CG2 3.68Å; V652-Q654 VanDerWaalsContact C-N 3.33Å; V652-Q654 PolarHBondContact O-N 3.3Å; V652-F658 HydrophobicContact CG1-CE2 3.88Å; V652-F658 HydrophobicContact CG1-CZ 4.22Å
653	A	60	Low	80.5	Confident	103 Å²	103	67.2 Å²	67.2	85%	0.851	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-25.4	-169.6	0	0	0	0	0	114.8
654	Q	66.9	Low	80.5	Confident	152 Å²	152	67.2 Å²	67.2	71%	0.71	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	57.2	-173.8	-63.4	-167.1	6.6	0	0	113.6	V652 G656 A657	V652-Q654 VanDerWaalsContact C-N 3.33Å; V652-Q654 PolarHBondContact O-N 3.3Å; Q654-G656 PolarHBondContact O-N 3.34Å; Q654-A657 PolarHBondContact O-N 3.44Å
655	R	73.9	Confident	80.7	Confident	73 Å²	73	68.2 Å²	68.2	28%	0.275	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-60.1	-27.9	177.9	-69.7	-172.8	172.7	-151.3	-7.9	113.9	A657 F658 P661 L664 D665	R655-A657 PolarHBondContact O-N 2.71Å; R655-A657 VanDerWaalsContact O-N 3.11Å; R655-F658 VanDerWaalsContact O-CD2 3.32Å; R655-F658 WeakPolarHBondContact O-CD2 3.13Å; R655-F658 PolarHBondContact O-N 3.19Å; R655-P661 HydrophobicContact CB-CB 4.09Å; R655-P661 WeakPolarHBondContact O-CB 3.22Å; R655-L664 HydrophobicContact CG-CD1 4.28Å; R655-D665 IonicContact CZ-OD1 2.71Å; R655-D665 IonicContact CZ-OD2 3.4Å; R655-D665 IonicContact NH1-OD1 3.45Å; R655-D665 PolarHBondContact NH1-OD1 3.14Å; R655-D665 VanDerWaalsContact NH1-OD1 3.11Å; R655-D665 IonicContact NH1-OD2 3.11Å; R655-D665 PolarHBondContact NH1-OD2 3Å; R655-D665 IonicContact NH2-OD1 3.86Å; R655-D665 PolarHBondContact NH2-OD1 2.93Å; R655-D665 IonicContact NH2-OD2 2.75Å
656	G	61.7	Low	81	Confident	74 Å²	74	68 Å²	68	76%	0.763	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-66.2	-9.2	-179	0	0	0	0	0	115.7	Q654 F658	Q654-G656 PolarHBondContact O-N 3.34Å; G656-F658 VanDerWaalsContact C-N 3.32Å
657	A	65.9	Low	81.2	Confident	44 Å²	44	67.6 Å²	67.6	36%	0.364	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-85.7	-1.6	175.7	0	0	0	0	0	113.7	I634 Q654 R655	I634-A657 PolarHBondContact N-O 3.45Å; Q654-A657 PolarHBondContact O-N 3.44Å; R655-A657 PolarHBondContact O-N 2.71Å; R655-A657 VanDerWaalsContact O-N 3.11Å
658	F	80.3	Confident	81.2	Confident	27 Å²	27	71 Å²	71	12%	0.118	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-105.4	143.7	-176.4	-51.1	-46.6	0	0	0	111.7	Y632 T633 V639 A642 V652 R655 G656 N660 P661 L664	Y632-F658 CarbonylContact O-C 3.54Å; Y632-F658 WeakPolarHBondContact O-CA 3.09Å; Y632-F658 VanDerWaalsContact O-CB 3.31Å; Y632-F658 WeakPolarHBondContact O-CB 3.16Å; T633-F658 HydrophobicContact CG2-CD1 4.39Å; V639-F658 HydrophobicContact CB-CE1 4.34Å; V639-F658 HydrophobicContact CG1-CD1 4.23Å; V639-F658 HydrophobicContact CG1-CE1 3.51Å; V639-F658 HydrophobicContact CG1-CZ 3.91Å; V639-F658 HydrophobicContact CG2-CD1 3.81Å; V639-F658 HydrophobicContact CG2-CE1 3.92Å; A642-F658 HydrophobicContact CB-CE2 4.44Å; A642-F658 HydrophobicContact CB-CZ 4.05Å; V652-F658 HydrophobicContact CG1-CE2 3.88Å; V652-F658 HydrophobicContact CG1-CZ 4.22Å; R655-F658 VanDerWaalsContact O-CD2 3.32Å; R655-F658 WeakPolarHBondContact O-CD2 3.13Å; R655-F658 PolarHBondContact O-N 3.19Å; G656-F658 VanDerWaalsContact C-N 3.32Å; F658-N660 VanDerWaalsContact C-N 3.31Å; F658-P661 HydrophobicContact CB-CB 4.33Å; F658-L664 HydrophobicContact CD2-CD1 3.6Å; F658-L664 HydrophobicContact CE2-CD1 3.63Å
659	S	76.8	Confident	81.4	Confident	73 Å²	73	74.5 Å²	74.5	51%	0.51	43%	0.426	S	S	.	.	S	Bend	trans	-72.9	-25.1	178.2	50.3	0	0	0	0	113	Y632 T633	Y632-S659 VanDerWaalsContact CB-OG 3.3Å; Y632-S659 WeakPolarHBondContact CB-OG 3.33Å; Y632-S659 PolarHBondContact O-N 3.02Å; Y632-S659 PolarHBondContact O-OG 3.38Å; Y632-S659 VanDerWaalsContact O-OG 3.13Å; T633-S659 PolarHBondContact O-OG 2.67Å
660	N	87.1	Confident	81.8	Confident	33 Å²	33	72.2 Å²	72.2	18%	0.176	40%	0.397	C	S	.	.	S	Bend	trans	-140	65.5	-179.9	59.3	-28.7	0	0	0	110.6	D629 I630 Y632 F658 D662 S663	D629-N660 PolarHBondContact OD2-ND2 3.06Å; I630-N660 PolarHBondContact O-ND2 2.86Å; Y632-N660 PolarHBondContact N-OD1 3.3Å; F658-N660 VanDerWaalsContact C-N 3.31Å; N660-D662 VanDerWaalsContact C-N 3.25Å; N660-D662 PolarHBondContact O-N 3.26Å; N660-S663 PolarHBondContact ND2-OG 2.8Å; N660-S663 WeakPolarHBondContact O-CB 3.42Å; N660-S663 PolarHBondContact O-N 2.8Å; N660-S663 VanDerWaalsContact O-N 3.11Å; N660-S663 PolarHBondContact O-OG 2.9Å
661	P	85.6	Confident	82.1	Confident	37 Å²	37	68.6 Å²	68.6	24%	0.24	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-60.8	-30.4	-170.7	24	-33.6	0	0	0	114	R655 F658 S663 L664	R655-P661 HydrophobicContact CB-CB 4.09Å; R655-P661 WeakPolarHBondContact O-CB 3.22Å; F658-P661 HydrophobicContact CB-CB 4.33Å; P661-S663 PolarHBondContact O-N 3.39Å; P661-L664 VanDerWaalsContact O-CB 3.24Å; P661-L664 WeakPolarHBondContact O-CB 3.37Å; P661-L664 WeakPolarHBondContact O-CG 3.45Å; P661-L664 PolarHBondContact O-N 3.3Å
662	D	89.8	Confident	82.7	Confident	126 Å²	126	65 Å²	65	67%	0.674	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-67.3	-22.1	-179.4	-58.2	-28.8	0	0	0	112.7	N660 L664 D665	N660-D662 VanDerWaalsContact C-N 3.25Å; N660-D662 PolarHBondContact O-N 3.26Å; D662-L664 PolarHBondContact O-N 3Å; D662-D665 PolarHBondContact O-N 3.29Å; D662-D665 VanDerWaalsContact O-N 3.08Å
663	S	91.4	Very high	83.3	Confident	6 Å²	6	64.6 Å²	64.6	4%	0.042	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-61.3	-24.9	175.2	66.6	0	0	0	0	112.5	P631 N660 P661 D665 L666 Y667	P631-S663 WeakPolarHBondContact CA-OG 3.35Å; P631-S663 VanDerWaalsContact CB-OG 3.3Å; P631-S663 WeakPolarHBondContact CB-OG 3.41Å; N660-S663 PolarHBondContact ND2-OG 2.8Å; N660-S663 WeakPolarHBondContact O-CB 3.42Å; N660-S663 PolarHBondContact O-N 2.8Å; N660-S663 VanDerWaalsContact O-N 3.11Å; N660-S663 PolarHBondContact O-OG 2.9Å; P661-S663 PolarHBondContact O-N 3.39Å; S663-D665 PolarHBondContact O-N 3.36Å; S663-L666 VanDerWaalsContact O-CB 3.24Å; S663-L666 WeakPolarHBondContact O-CB 3.28Å; S663-L666 VanDerWaalsContact O-CG 3.32Å; S663-L666 WeakPolarHBondContact O-CG 3.39Å; S663-L666 PolarHBondContact O-N 3.41Å; S663-L666 VanDerWaalsContact O-N 3.16Å; S663-Y667 VanDerWaalsContact O-CD2 3.27Å; S663-Y667 WeakPolarHBondContact O-CD2 3.39Å; S663-Y667 VanDerWaalsContact O-CE2 3.25Å; S663-Y667 WeakPolarHBondContact O-CE2 3.5Å
664	L	89.5	Confident	84.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-61.1	-30.6	175.5	-74.4	176	0	0	0	112.7	P631 A642 V643 I646 R655 F658 P661 D662 L666 Y667	P631-L664 HydrophobicContact CB-CD2 3.76Å; P631-L664 HydrophobicContact CB-CG 4.17Å; P631-L664 HydrophobicContact CG-CD2 3.85Å; A642-L664 HydrophobicContact CB-CD2 3.99Å; V643-L664 HydrophobicContact CG2-CD2 3.93Å; I646-L664 HydrophobicContact CD1-CB 3.44Å; I646-L664 VanDerWaalsContact CD1-CB 3.44Å; I646-L664 HydrophobicContact CD1-CD1 4.23Å; I646-L664 HydrophobicContact CD1-CD2 3.56Å; I646-L664 HydrophobicContact CD1-CG 3.91Å; I646-L664 WeakPolarHBondContact CD1-O 3.42Å; R655-L664 HydrophobicContact CG-CD1 4.28Å; F658-L664 HydrophobicContact CD2-CD1 3.6Å; F658-L664 HydrophobicContact CE2-CD1 3.63Å; P661-L664 VanDerWaalsContact O-CB 3.24Å; P661-L664 WeakPolarHBondContact O-CB 3.37Å; P661-L664 WeakPolarHBondContact O-CG 3.45Å; P661-L664 PolarHBondContact O-N 3.3Å; D662-L664 PolarHBondContact O-N 3Å; L664-L666 PolarHBondContact O-N 3.45Å; L664-Y667 PolarHBondContact O-N 2.9Å
665	D	91.4	Very high	85	Confident	63 Å²	63	65 Å²	65	34%	0.337	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-71.3	-17.3	-179.6	-66.8	-40.7	0	0	0	112.7	R655 D662 S663 Y667 K668	R655-D665 IonicContact CZ-OD1 2.71Å; R655-D665 IonicContact CZ-OD2 3.4Å; R655-D665 IonicContact NH1-OD1 3.45Å; R655-D665 PolarHBondContact NH1-OD1 3.14Å; R655-D665 VanDerWaalsContact NH1-OD1 3.11Å; R655-D665 IonicContact NH1-OD2 3.11Å; R655-D665 PolarHBondContact NH1-OD2 3Å; R655-D665 IonicContact NH2-OD1 3.86Å; R655-D665 PolarHBondContact NH2-OD1 2.93Å; R655-D665 IonicContact NH2-OD2 2.75Å; D662-D665 PolarHBondContact O-N 3.29Å; D662-D665 VanDerWaalsContact O-N 3.08Å; S663-D665 PolarHBondContact O-N 3.36Å; D665-Y667 PolarHBondContact O-N 3.28Å; D665-K668 PolarHBondContact O-N 3.11Å; D665-K668 WeakPolarHBondContact OD1-CE 3.38Å; D665-K668 IonicContact OD1-NZ 3.28Å; D665-K668 PolarHBondContact OD1-NZ 3.38Å
666	L	92.4	Very high	85.4	Confident	65 Å²	65	65.2 Å²	65.2	34%	0.34	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-64.8	-18.8	172.7	-57.9	173.2	0	0	0	113.1	K628 D629 S663 L664	K628-L666 HydrophobicContact CB-CD1 3.92Å; K628-L666 HydrophobicContact CB-CD2 4.27Å; K628-L666 HydrophobicContact CD-CD2 4.45Å; D629-L666 HydrophobicContact CB-CD1 3.74Å; S663-L666 VanDerWaalsContact O-CB 3.24Å; S663-L666 WeakPolarHBondContact O-CB 3.28Å; S663-L666 VanDerWaalsContact O-CG 3.32Å; S663-L666 WeakPolarHBondContact O-CG 3.39Å; S663-L666 PolarHBondContact O-N 3.41Å; S663-L666 VanDerWaalsContact O-N 3.16Å; L664-L666 PolarHBondContact O-N 3.45Å
667	Y	93.6	Very high	86.5	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.008	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-97.7	-0.3	-176.1	-59	-92.2	0	0	0	113	L574 F590 D629 I630 P631 V643 S663 L664 D665	L574-Y667 HydrophobicContact CD2-CE1 4.15Å; F590-Y667 HydrophobicContact CB-CE1 4.19Å; F590-Y667 HydrophobicContact CD1-CD1 4.26Å; F590-Y667 AromaticContact CD1-CE1 3.93Å; F590-Y667 HydrophobicContact CD1-CE1 3.93Å; F590-Y667 HydrophobicContact CD2-CD1 4.06Å; F590-Y667 AromaticContact CD2-CE1 3.67Å; F590-Y667 HydrophobicContact CD2-CE1 3.67Å; F590-Y667 HydrophobicContact CE1-CD1 4.02Å; F590-Y667 HydrophobicContact CE1-CE1 4.17Å; F590-Y667 AromaticContact CE2-CD1 3.8Å; F590-Y667 HydrophobicContact CE2-CD1 3.8Å; F590-Y667 AromaticContact CE2-CE1 3.92Å; F590-Y667 HydrophobicContact CE2-CE1 3.92Å; F590-Y667 HydrophobicContact CG-CD1 4.26Å; F590-Y667 AromaticContact CG-CE1 3.65Å; F590-Y667 HydrophobicContact CG-CE1 3.65Å; F590-Y667 AromaticContact CZ-CD1 3.75Å; F590-Y667 HydrophobicContact CZ-CD1 3.75Å; F590-Y667 HydrophobicContact CZ-CE1 4.14Å; D629-Y667 PolarHBondContact O-OH 3.09Å; I630-Y667 WeakPolarHBondContact CD1-OH 3.16Å; P631-Y667 WeakPolarHBondContact CD-OH 3.33Å; P631-Y667 HydrophobicContact CG-CE2 4.19Å; V643-Y667 HydrophobicContact CB-CD1 4.48Å; V643-Y667 HydrophobicContact CG1-CD1 3.35Å; V643-Y667 HydrophobicContact CG1-CD2 4.41Å; V643-Y667 HydrophobicContact CG1-CE1 3.85Å; V643-Y667 HydrophobicContact CG1-CG 3.67Å; V643-Y667 HydrophobicContact CG2-CD1 4.3Å; V643-Y667 HydrophobicContact CG2-CD2 4.03Å; V643-Y667 HydrophobicContact CG2-CE1 4.38Å; V643-Y667 HydrophobicContact CG2-CE2 4.17Å; V643-Y667 HydrophobicContact CG2-CG 4.12Å; S663-Y667 VanDerWaalsContact O-CD2 3.27Å; S663-Y667 WeakPolarHBondContact O-CD2 3.39Å; S663-Y667 VanDerWaalsContact O-CE2 3.25Å; S663-Y667 WeakPolarHBondContact O-CE2 3.5Å; L664-Y667 PolarHBondContact O-N 2.9Å; D665-Y667 PolarHBondContact O-N 3.28Å
668	K	90.3	Very high	87.6	Confident	96 Å²	96	65.8 Å²	65.8	42%	0.417	35%	0.347	S	S	.	.	S	Bend	trans	-81.5	144.2	177.5	-72	177.4	173.4	171.6	0	111.1	I646 D665 I670	I646-K668 HydrophobicContact CG2-CB 4.39Å; I646-K668 HydrophobicContact CG2-CG 3.47Å; I646-K668 VanDerWaalsContact CG2-CG 3.47Å; D665-K668 PolarHBondContact O-N 3.11Å; D665-K668 WeakPolarHBondContact OD1-CE 3.38Å; D665-K668 IonicContact OD1-NZ 3.28Å; D665-K668 PolarHBondContact OD1-NZ 3.38Å; K668-I670 PolarHBondContact O-N 3.15Å
669	N	87.6	Confident	88	Confident	139 Å²	139	68 Å²	68	74%	0.743	36%	0.36	S	S	*	.	S	Bend	trans	52.6	30.6	167.6	-56.3	-31.4	0	0	0	114.9	P671	N669-P671 WeakPolarHBondContact O-CD 3.09Å
670	I	92.5	Very high	88.7	Confident	24 Å²	24	67.7 Å²	67.7	12%	0.123	35%	0.351	C	S	.	.			trans	-64.7	121.6	178	-63.8	164.7	0	0	0	108.3	F590 L625 K668 E672 L673 Q674	F590-I670 HydrophobicContact CE1-CD1 3.58Å; F590-I670 HydrophobicContact CZ-CD1 3.72Å; L625-I670 HydrophobicContact CD1-CG2 4.07Å; K668-I670 PolarHBondContact O-N 3.15Å; I670-E672 VanDerWaalsContact C-N 3.32Å; I670-E672 HydrophobicContact CG2-CB 4.34Å; I670-E672 VanDerWaalsContact CG2-OE2 3.22Å; I670-E672 WeakPolarHBondContact CG2-OE2 3.5Å; I670-E672 PolarHBondContact O-N 3.03Å; I670-L673 HydrophobicContact CB-CB 4.21Å; I670-L673 HydrophobicContact CB-CD1 3.88Å; I670-L673 HydrophobicContact CB-CG 3.79Å; I670-L673 HydrophobicContact CD1-CD1 3.68Å; I670-L673 HydrophobicContact CD1-CG 4.43Å; I670-L673 HydrophobicContact CG1-CD1 4.36Å; I670-L673 HydrophobicContact CG2-CB 4.46Å; I670-L673 HydrophobicContact CG2-CD1 4.2Å; I670-L673 HydrophobicContact CG2-CG 3.75Å; I670-L673 WeakPolarHBondContact O-CB 3.34Å; I670-L673 PolarHBondContact O-N 3.03Å; I670-Q674 PolarHBondContact O-NE2 3.47Å
671	P	90.4	Very high	88.8	Confident	101 Å²	101	69.9 Å²	69.9	66%	0.656	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-56.1	-42.1	-175.5	-28.4	36.2	0	0	0	113.9	N669 L673 Q674	N669-P671 WeakPolarHBondContact O-CD 3.09Å; P671-L673 PolarHBondContact O-N 3.32Å; P671-L673 VanDerWaalsContact O-N 3.15Å; P671-Q674 WeakPolarHBondContact O-CB 3.1Å; P671-Q674 PolarHBondContact O-N 2.85Å; P671-Q674 VanDerWaalsContact O-N 3.09Å
672	E	90.8	Very high	89	Confident	111 Å²	111	72.1 Å²	72.1	52%	0.519	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-65.7	-16.4	-179.9	-62.2	87.5	161.9	0	0	113.1	R586 L625 I670	R586-E672 PolarHBondContact NH2-O 2.92Å; R586-E672 VanDerWaalsContact NH2-O 3.12Å; L625-E672 HydrophobicContact CD1-CB 4.29Å; L625-E672 HydrophobicContact CD2-CB 4.09Å; L625-E672 HydrophobicContact CD2-CG 4Å; I670-E672 VanDerWaalsContact C-N 3.32Å; I670-E672 HydrophobicContact CG2-CB 4.34Å; I670-E672 VanDerWaalsContact CG2-OE2 3.22Å; I670-E672 WeakPolarHBondContact CG2-OE2 3.5Å; I670-E672 PolarHBondContact O-N 3.03Å
673	L	91.3	Very high	89	Confident	7 Å²	7	68.2 Å²	68.2	4%	0.037	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-96.8	-7.2	178.7	-54.3	-169.2	0	0	0	112.9	Q578 I588 F590 L623 L625 I647 I670 P671	Q578-L673 PolarHBondContact NE2-O 3.05Å; I588-L673 HydrophobicContact CD1-CD1 3.84Å; I588-L673 HydrophobicContact CD1-CD2 3.4Å; I588-L673 VanDerWaalsContact CD1-CD2 3.4Å; I588-L673 HydrophobicContact CD1-CG 4.25Å; I588-L673 HydrophobicContact CG1-CD2 4.03Å; I588-L673 HydrophobicContact CG2-CD2 4.47Å; F590-L673 HydrophobicContact CZ-CD1 4.03Å; L623-L673 HydrophobicContact CD1-CD2 3.77Å; L625-L673 HydrophobicContact CD1-CD2 3.84Å; L625-L673 HydrophobicContact CD1-CG 4.28Å; I647-L673 HydrophobicContact CD1-CD1 3.97Å; I647-L673 HydrophobicContact CG1-CD1 3.95Å; I647-L673 HydrophobicContact CG2-CD1 3.89Å; I670-L673 HydrophobicContact CB-CB 4.21Å; I670-L673 HydrophobicContact CB-CD1 3.88Å; I670-L673 HydrophobicContact CB-CG 3.79Å; I670-L673 HydrophobicContact CD1-CD1 3.68Å; I670-L673 HydrophobicContact CD1-CG 4.43Å; I670-L673 HydrophobicContact CG1-CD1 4.36Å; I670-L673 HydrophobicContact CG2-CB 4.46Å; I670-L673 HydrophobicContact CG2-CD1 4.2Å; I670-L673 HydrophobicContact CG2-CG 3.75Å; I670-L673 WeakPolarHBondContact O-CB 3.34Å; I670-L673 PolarHBondContact O-N 3.03Å; P671-L673 PolarHBondContact O-N 3.32Å; P671-L673 VanDerWaalsContact O-N 3.15Å
674	Q	85.7	Confident	88.8	Confident	98 Å²	98	73 Å²	73	46%	0.458	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	145	178.8	-54.5	-51.7	-51.7	0	0	111.1	I670 P671 Y676	I670-Q674 PolarHBondContact O-NE2 3.47Å; P671-Q674 WeakPolarHBondContact O-CB 3.1Å; P671-Q674 PolarHBondContact O-N 2.85Å; P671-Q674 VanDerWaalsContact O-N 3.09Å; Q674-Y676 VanDerWaalsContact C-N 3.33Å; Q674-Y676 PolarHBondContact O-N 3.23Å
675	N	78	Confident	88.7	Confident	167 Å²	167	79.1 Å²	79.1	89%	0.893	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	33.4	175.4	-47.1	-52.1	0	0	0	115.2
676	Y	80.5	Confident	88.5	Confident	76 Å²	76	80.5 Å²	80.5	30%	0.298	41%	0.408	S	S	.	.			trans	-71.9	0	169.3	176.9	-126.2	0	0	0	111.8	Q578 N580 E584 R586 Q674	Q578-Y676 HydrophobicContact CB-CD1 4.32Å; Q578-Y676 HydrophobicContact CG-CD1 3.77Å; Q578-Y676 HydrophobicContact CG-CE1 4.47Å; Q578-Y676 VanDerWaalsContact O-CE1 3.29Å; Q578-Y676 WeakPolarHBondContact O-CE1 3.47Å; N580-Y676 HydrophobicContact CB-CD1 3.73Å; N580-Y676 HydrophobicContact CB-CE1 3.82Å; N580-Y676 HydrophobicContact CB-CG 4.11Å; N580-Y676 WeakPolarHBondContact CB-O 3.49Å; N580-Y676 WeakPolarHBondContact CB-OXT 3.48Å; E584-Y676 WeakPolarHBondContact O-CE1 3.49Å; E584-Y676 PolarHBondContact O-OH 3.1Å; R586-Y676 HydrophobicContact CB-CE1 4.05Å; R586-Y676 HydrophobicContact CB-CE2 4.14Å; R586-Y676 WeakPolarHBondContact CB-OH 3.39Å; R586-Y676 VanDerWaalsContact CD-CE2 3.46Å; R586-Y676 HydrophobicContact CG-CD1 3.98Å; R586-Y676 HydrophobicContact CG-CD2 4.29Å; R586-Y676 HydrophobicContact CG-CE1 3.52Å; R586-Y676 HydrophobicContact CG-CE2 3.92Å; R586-Y676 HydrophobicContact CG-CG 4.34Å; R586-Y676 PolarHBondContact N-OH 3.25Å; Q674-Y676 VanDerWaalsContact C-N 3.33Å; Q674-Y676 PolarHBondContact O-N 3.23Å

Retrieved 676 of 676 residues in 424.3 ms (Link to these results)

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