A0A087XXE8_POEFO Loading...

Asparagine--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession A0A087XXE8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 559 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	34.4	Very low	31.1	Very low	249 Å²	249	158.4 Å²	158.4	100%	1.227	88%	0.88	S	S	*	*				0	71.7	0	-67.9	-176.2	-165.1	0	0	108.2
2	A	32.3	Very low	31	Very low	94 Å²	94	156.8 Å²	156.8	78%	0.777	88%	0.877	S	S	*	*			trans	-131.5	78.5	-174	0	0	0	0	0	106.6
3	T	31.8	Very low	31.5	Very low	138 Å²	138	152.5 Å²	152.5	85%	0.847	86%	0.863	S	S	*	*			trans	-179.8	74.9	170.9	8.8	0	0	0	0	108
4	E	28.7	Very low	32.9	Very low	183 Å²	183	147.2 Å²	147.2	86%	0.855	84%	0.836	S	S	*	*			trans	177.8	92.6	158.5	-106	170.9	-170.7	0	0	106.6
5	I	32.2	Very low	35.4	Very low	170 Å²	170	141.5 Å²	141.5	87%	0.872	81%	0.814	S	S	*	*			trans	-179.4	67.3	148.3	-75.7	140.3	0	0	0	103.8
6	T	34.8	Very low	38.7	Very low	137 Å²	137	138.5 Å²	138.5	84%	0.84	79%	0.79	S	S	*	*			trans	-151.1	74.6	166.5	30.7	0	0	0	0	107.2
7	K	28.5	Very low	41.7	Very low	218 Å²	218	131.3 Å²	131.3	95%	0.948	75%	0.749	S	S	*	*			trans	-162.5	106.4	160.3	-106.3	175.4	-168.4	-176.9	0	108.5
8	G	27.8	Very low	44.4	Very low	78 Å²	78	125.9 Å²	125.9	80%	0.804	72%	0.715	S	S	*	*			trans	163.5	37.2	179.8	0	0	0	0	0	113.1
9	V	35.9	Very low	46.8	Very low	133 Å²	133	119.6 Å²	119.6	81%	0.806	68%	0.679	S	S	*	*			trans	-111.3	102.3	164	179.8	0	0	0	0	104.9
10	D	28.4	Very low	48.8	Very low	152 Å²	152	113.7 Å²	113.7	81%	0.813	65%	0.645	S	S	*	*			trans	165.3	96.1	145.4	-84	-20.9	0	0	0	110.8
11	Q	27.1	Very low	50.6	Low	190 Å²	190	114.1 Å²	114.1	89%	0.888	65%	0.646	S	S	*	*			trans	158.8	89.7	144.4	-90	-178.1	8.4	0	0	108.1	S13	Q11-S13 VanDerWaalsContact C-N 3.3Å; Q11-S13 PolarHBondContact O-N 3.47Å
12	V	30.3	Very low	52.9	Low	140 Å²	140	110 Å²	110	85%	0.848	62%	0.621	S	S	*	*			trans	-76	84.9	174.9	-177.3	0	0	0	0	108.5
13	S	37.9	Very low	55.4	Low	100 Å²	100	112.7 Å²	112.7	70%	0.699	62%	0.617	S	S	*	*			trans	-70.8	123.9	149.6	61.9	0	0	0	0	106.7	Q11 A15	Q11-S13 VanDerWaalsContact C-N 3.3Å; Q11-S13 PolarHBondContact O-N 3.47Å; S13-A15 VanDerWaalsContact C-N 3.27Å; S13-A15 PolarHBondContact O-N 2.9Å
14	V	50.2	Low	58	Low	79 Å²	79	106.9 Å²	106.9	48%	0.479	58%	0.584	S	S	.	*			trans	-64.5	89.8	175.8	-175.5	0	0	0	0	107.7	E16 P53	V14-E16 PolarHBondContact O-N 3.16Å; V14-P53 HydrophobicContact CG1-CB 4.29Å
15	A	71.4	Confident	60.5	Low	61 Å²	61	99.9 Å²	99.9	50%	0.504	56%	0.556	S	S	.	*			trans	-64.8	123.2	-173.6	0	0	0	0	0	109.9	S13 P53	S13-A15 VanDerWaalsContact C-N 3.27Å; S13-A15 PolarHBondContact O-N 2.9Å; A15-P53 WeakPolarHBondContact O-CB 3.06Å
16	E	87.3	Confident	63.2	Low	94 Å²	94	94 Å²	94	44%	0.439	53%	0.526	S	S	.	.			trans	-61.1	141.5	175.3	-59.1	-177.8	159.9	0	0	110.2	V14 Y18 T54 Y56	V14-E16 PolarHBondContact O-N 3.16Å; E16-Y18 HydrophobicContact CB-CE2 4.27Å; E16-Y18 PolarHBondContact OE2-OH 3.14Å; E16-Y18 VanDerWaalsContact OE2-OH 3.14Å; E16-T54 WeakPolarHBondContact CA-O 3.37Å; E16-Y56 HydrophobicContact CB-CD2 4.04Å; E16-Y56 HydrophobicContact CB-CE2 3.85Å; E16-Y56 VanDerWaalsContact CD-CE2 3.45Å; E16-Y56 HydrophobicContact CG-CD2 4.44Å; E16-Y56 HydrophobicContact CG-CE2 3.74Å; E16-Y56 PolarHBondContact OE1-OH 2.87Å
17	M	89.4	Confident	65.5	Low	16 Å²	16	95.9 Å²	95.9	8%	0.079	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139	177.7	-76.4	-172.9	173.6	0	0	111	G31 F37 A43 F46 A47 P53 T54 I55 Y56	M17-G31 WeakPolarHBondContact CA-O 3.33Å; M17-F37 HydrophobicContact SD-CE2 4.34Å; M17-A43 HydrophobicContact CB-CB 4.5Å; M17-A43 HydrophobicContact SD-CB 3.94Å; M17-F46 HydrophobicContact CE-CB 4.44Å; M17-F46 HydrophobicContact CE-CD1 3.38Å; M17-F46 HydrophobicContact CE-CE1 4.01Å; M17-F46 HydrophobicContact CE-CG 4.3Å; M17-A47 HydrophobicContact CE-CB 4.32Å; M17-P53 HydrophobicContact CB-CG 4.48Å; M17-P53 HydrophobicContact CE-CG 3.99Å; M17-P53 HydrophobicContact CG-CB 4.27Å; M17-P53 HydrophobicContact CG-CG 3.87Å; M17-P53 HydrophobicContact SD-CG 3.53Å; M17-P53 VanDerWaalsContact SD-CG 3.53Å; M17-T54 PolarHBondContact N-O 2.92Å; M17-I55 HydrophobicContact CB-CG1 4.4Å; M17-I55 CarbonylContact O-C 3.55Å; M17-I55 VanDerWaalsContact O-CA 3.3Å; M17-I55 WeakPolarHBondContact O-CA 3.45Å; M17-Y56 PolarHBondContact O-N 2.82Å
18	Y	90.9	Very high	68.1	Low	35 Å²	35	91.3 Å²	91.3	14%	0.137	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137.6	-176.9	-59.3	-93.8	0	0	0	110.9	E16 G31 E33 P36 F37 Y56 W66	E16-Y18 HydrophobicContact CB-CE2 4.27Å; E16-Y18 PolarHBondContact OE2-OH 3.14Å; E16-Y18 VanDerWaalsContact OE2-OH 3.14Å; Y18-G31 PolarHBondContact N-O 3.05Å; Y18-E33 HydrophobicContact CD1-CB 4.3Å; Y18-E33 HydrophobicContact CD1-CG 4.1Å; Y18-E33 HydrophobicContact CD2-CB 3.94Å; Y18-E33 HydrophobicContact CE1-CB 4.28Å; Y18-E33 HydrophobicContact CE1-CG 4.1Å; Y18-E33 HydrophobicContact CE2-CB 3.9Å; Y18-E33 HydrophobicContact CG-CB 4.14Å; Y18-E33 HydrophobicContact CG-CG 4.36Å; Y18-P36 CarbonylContact O-C 3.5Å; Y18-P36 VanDerWaalsContact O-CA 3.29Å; Y18-P36 WeakPolarHBondContact O-CA 3.36Å; Y18-P36 VanDerWaalsContact O-CB 3.26Å; Y18-P36 WeakPolarHBondContact O-CB 3.48Å; Y18-F37 PolarHBondContact O-N 3.41Å; Y18-Y56 CarbonylContact C-O 3.55Å; Y18-Y56 WeakPolarHBondContact CA-O 3.36Å; Y18-Y56 HydrophobicContact CD1-CG 4.33Å; Y18-Y56 HydrophobicContact CE1-CD2 4.21Å; Y18-Y56 HydrophobicContact CE1-CG 4.07Å; Y18-W66 AromaticContact CD1-CD2 3.56Å; Y18-W66 HydrophobicContact CD1-CD2 3.56Å; Y18-W66 AromaticContact CD1-CE2 3.63Å; Y18-W66 AromaticContact CD1-CE3 3.85Å; Y18-W66 HydrophobicContact CD1-CE3 3.85Å; Y18-W66 AromaticContact CD1-CG 3.92Å; Y18-W66 HydrophobicContact CD1-CG 3.92Å; Y18-W66 HydrophobicContact CD1-CH2 4.28Å; Y18-W66 AromaticContact CD1-CZ2 4Å; Y18-W66 HydrophobicContact CD1-CZ2 4Å; Y18-W66 HydrophobicContact CD1-CZ3 4.21Å; Y18-W66 AromaticContact CD1-NE1 4Å; Y18-W66 AromaticContact CE1-CD1 3.96Å; Y18-W66 HydrophobicContact CE1-CD2 4.12Å; Y18-W66 AromaticContact CE1-CG 3.98Å; Y18-W66 HydrophobicContact CE1-CG 3.98Å; Y18-W66 HydrophobicContact CG-CZ2 4.44Å
19	V	89.4	Confident	70.8	Confident	6 Å²	6	88.3 Å²	88.3	4%	0.036	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	123.5	-179.2	176	0	0	0	0	109.6	F37 K38 P40 A43 I55 Y56 V57	V19-F37 CarbonylContact C-O 3.51Å; V19-F37 VanDerWaalsContact CA-O 3.23Å; V19-F37 WeakPolarHBondContact CA-O 3.38Å; V19-F37 HydrophobicContact CG2-CB 4.34Å; V19-K38 WeakPolarHBondContact CG1-O 3.35Å; V19-P40 HydrophobicContact CG1-CG 4.04Å; V19-A43 HydrophobicContact CG2-CB 3.99Å; V19-I55 HydrophobicContact CB-CG2 4.32Å; V19-I55 HydrophobicContact CG2-CG2 3.64Å; V19-Y56 PolarHBondContact N-O 2.97Å; V19-V57 HydrophobicContact CB-CG1 4.2Å; V19-V57 WeakPolarHBondContact O-CA 3.1Å
20	S	88.3	Confident	73.1	Confident	1 Å²	1	85.5 Å²	85.5	1%	0.007	46%	0.461	C	S	.	.			trans	-131	119.3	176.1	169.5	0	0	0	0	110	K22 H23 G24 F37 K38 E58	S20-K22 PolarHBondContact O-N 2.74Å; S20-K22 PolarHBondContact OG-N 2.88Å; S20-H23 WeakPolarHBondContact OG-CB 3.34Å; S20-H23 PolarHBondContact OG-N 3.22Å; S20-G24 VanDerWaalsContact O-CA 3.24Å; S20-G24 WeakPolarHBondContact O-CA 3.49Å; S20-G24 PolarHBondContact O-N 3.21Å; S20-F37 PolarHBondContact N-O 3.46Å; S20-K38 WeakPolarHBondContact O-CA 3.29Å; S20-E58 WeakPolarHBondContact CB-OE1 3.41Å; S20-E58 PolarHBondContact OG-OE1 2.72Å
21	D	85.6	Confident	75.8	Confident	122 Å²	122	78.5 Å²	78.5	65%	0.652	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.5	175.9	-169.5	27.7	0	0	0	111.8
22	K	82.2	Confident	78.6	Confident	164 Å²	164	71 Å²	71	71%	0.713	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-36.4	-177.5	-66.9	-177.5	-179.1	174.9	0	114	S20	S20-K22 PolarHBondContact O-N 2.74Å; S20-K22 PolarHBondContact OG-N 2.88Å
23	H	85.1	Confident	81.3	Confident	150 Å²	150	67.3 Å²	67.3	69%	0.694	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	-1.1	-168.6	-58.2	-59.4	0	0	0	113.6	S20 E58	S20-H23 WeakPolarHBondContact OG-CB 3.34Å; S20-H23 PolarHBondContact OG-N 3.22Å; H23-E58 IonicContact CD2-OE1 3.07Å; H23-E58 PolarHBondContact CD2-OE1 3.35Å
24	G	86.4	Confident	83.6	Confident	15 Å²	15	70 Å²	70	16%	0.155	37%	0.368	C	S	.	.			trans	-91.4	159.4	177.7	0	0	0	0	0	114.3	S20 P36	S20-G24 VanDerWaalsContact O-CA 3.24Å; S20-G24 WeakPolarHBondContact O-CA 3.49Å; S20-G24 PolarHBondContact O-N 3.21Å; G24-P36 WeakPolarHBondContact CA-O 3.31Å
25	S	82.6	Confident	85.3	Confident	37 Å²	37	72.1 Å²	72.1	26%	0.259	37%	0.371	S	S	.	.			trans	-129.5	129.1	173.9	178.7	0	0	0	0	110.2	Q27 D28 G29 P36	S25-Q27 VanDerWaalsContact C-N 3.26Å; S25-Q27 PolarHBondContact OG-N 2.98Å; S25-D28 PolarHBondContact OG-N 3.27Å; S25-D28 PolarHBondContact OG-OD2 2.76Å; S25-G29 VanDerWaalsContact O-CA 3.25Å; S25-G29 WeakPolarHBondContact O-CA 3.5Å; S25-G29 PolarHBondContact O-N 3.49Å; S25-P36 PolarHBondContact N-O 3.09Å; S25-P36 VanDerWaalsContact N-O 3.15Å
26	D	86.9	Confident	86.2	Confident	46 Å²	46	69.7 Å²	69.7	25%	0.246	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.5	172.3	-77.3	-8.6	0	0	0	112.7	K38 T39 K42	D26-K38 HydrophobicContact CB-CB 4.4Å; D26-K38 WeakPolarHBondContact OD1-CA 3.41Å; D26-K38 WeakPolarHBondContact OD1-CB 3.06Å; D26-K38 PolarHBondContact OD1-N 2.7Å; D26-T39 PolarHBondContact OD1-N 2.83Å; D26-T39 WeakPolarHBondContact OD2-CB 3.33Å; D26-T39 VanDerWaalsContact OD2-CG2 3.22Å; D26-T39 WeakPolarHBondContact OD2-CG2 3.41Å; D26-T39 PolarHBondContact OD2-OG1 3.37Å; D26-K42 HydrophobicContact CB-CB 4.24Å; D26-K42 HydrophobicContact CB-CD 4.26Å; D26-K42 HydrophobicContact CB-CG 4.04Å; D26-K42 WeakPolarHBondContact O-CE 3.4Å; D26-K42 PolarHBondContact O-NZ 3.05Å; D26-K42 WeakPolarHBondContact OD1-CB 3.22Å
27	Q	83.1	Confident	86.4	Confident	176 Å²	176	65.2 Å²	65.2	82%	0.822	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-46.8	177	-128.8	172.5	-5.5	0	0	111.1	S25	S25-Q27 VanDerWaalsContact C-N 3.26Å; S25-Q27 PolarHBondContact OG-N 2.98Å
28	D	83.9	Confident	86.4	Confident	123 Å²	123	69 Å²	69	66%	0.658	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	-4.5	-170.5	-47.6	-65.5	0	0	0	114.3	S25	S25-D28 PolarHBondContact OG-N 3.27Å; S25-D28 PolarHBondContact OG-OD2 2.76Å
29	G	84.9	Confident	86.3	Confident	15 Å²	15	69.5 Å²	69.5	16%	0.155	35%	0.352	C	S	.	.			trans	-70.6	144.9	176.3	0	0	0	0	0	111.5	S25 F37	S25-G29 VanDerWaalsContact O-CA 3.25Å; S25-G29 WeakPolarHBondContact O-CA 3.5Å; S25-G29 PolarHBondContact O-N 3.49Å; G29-F37 WeakPolarHBondContact O-CE1 3.17Å
30	D	84.4	Confident	86.3	Confident	74 Å²	74	70.8 Å²	70.8	40%	0.396	36%	0.36	S	S	.	.			trans	-110.2	-2.2	174.4	61.4	23.8	0	0	0	112.6	S32 K35	D30-S32 VanDerWaalsContact C-N 3.34Å; D30-S32 WeakPolarHBondContact OD1-CB 3.33Å; D30-S32 PolarHBondContact OD1-N 2.95Å; D30-S32 PolarHBondContact OD1-OG 3.09Å; D30-K35 PolarHBondContact N-O 2.78Å; D30-K35 WeakPolarHBondContact OD1-CB 3.36Å
31	G	83.8	Confident	86.2	Confident	4 Å²	4	73.1 Å²	73.1	4%	0.041	37%	0.372	C	S	.	.	S	Bend	trans	86.7	0.2	178.5	0	0	0	0	0	114.3	M17 Y18 K35 F37	M17-G31 WeakPolarHBondContact CA-O 3.33Å; Y18-G31 PolarHBondContact N-O 3.05Å; G31-K35 PolarHBondContact N-O 3.2Å; G31-F37 VanDerWaalsContact CA-CD2 3.45Å
32	S	87.8	Confident	86.3	Confident	33 Å²	33	70.8 Å²	70.8	23%	0.231	36%	0.356	C	S	.	.	S	Bend	trans	-72.4	166.9	170.7	68.4	0	0	0	0	112.2	D30 Q34 K35 P36	D30-S32 VanDerWaalsContact C-N 3.34Å; D30-S32 WeakPolarHBondContact OD1-CB 3.33Å; D30-S32 PolarHBondContact OD1-N 2.95Å; D30-S32 PolarHBondContact OD1-OG 3.09Å; S32-Q34 PolarHBondContact O-N 2.95Å; S32-K35 CarbonylContact O-C 3.57Å; S32-K35 PolarHBondContact O-N 3.08Å; S32-K35 PolarHBondContact OG-N 2.84Å; S32-K35 VanDerWaalsContact OG-N 3.09Å; S32-P36 VanDerWaalsContact O-CA 3.32Å; S32-P36 WeakPolarHBondContact O-CA 3.48Å
33	E	86.9	Confident	86.5	Confident	63 Å²	63	63 Å²	63	29%	0.294	32%	0.323	S	S	.	.	S	Bend	trans	-62.3	-31.9	174.9	-162.2	-171.7	164.1	0	0	112	Y18 R65 W66	Y18-E33 HydrophobicContact CD1-CB 4.3Å; Y18-E33 HydrophobicContact CD1-CG 4.1Å; Y18-E33 HydrophobicContact CD2-CB 3.94Å; Y18-E33 HydrophobicContact CE1-CB 4.28Å; Y18-E33 HydrophobicContact CE1-CG 4.1Å; Y18-E33 HydrophobicContact CE2-CB 3.9Å; Y18-E33 HydrophobicContact CG-CB 4.14Å; Y18-E33 HydrophobicContact CG-CG 4.36Å; E33-R65 IonicContact OE1-CZ 3.82Å; E33-R65 IonicContact OE1-NH1 3.17Å; E33-R65 PolarHBondContact OE1-NH1 3.12Å; E33-W66 VanDerWaalsContact CD-NE1 3.3Å; E33-W66 HydrophobicContact CG-CZ2 3.74Å; E33-W66 VanDerWaalsContact CG-NE1 3.26Å; E33-W66 PolarHBondContact OE1-NE1 2.84Å
34	Q	85.1	Confident	86.6	Confident	157 Å²	157	55.9 Å²	55.9	73%	0.734	29%	0.289	S	S	*	.	S	Bend	trans	-77.7	-30	179.8	-61.4	80.3	13.7	0	0	112.4	S32	S32-Q34 PolarHBondContact O-N 2.95Å
35	K	87.1	Confident	86.5	Confident	123 Å²	123	58.2 Å²	58.2	54%	0.535	30%	0.298	S	S	.	.	S	Bend	trans	-135.1	69.1	179.4	-69.1	-175.7	178.1	-176.9	0	111.1	D30 G31 S32	D30-K35 PolarHBondContact N-O 2.78Å; D30-K35 WeakPolarHBondContact OD1-CB 3.36Å; G31-K35 PolarHBondContact N-O 3.2Å; S32-K35 CarbonylContact O-C 3.57Å; S32-K35 PolarHBondContact O-N 3.08Å; S32-K35 PolarHBondContact OG-N 2.84Å; S32-K35 VanDerWaalsContact OG-N 3.09Å
36	P	89.2	Confident	86.6	Confident	9 Å²	9	62.4 Å²	62.4	6%	0.058	31%	0.312	C	S	.	.			trans	-66.4	154	-177.2	27.8	-34.4	0	0	0	111.3	Y18 G24 S25 S32 W66	Y18-P36 CarbonylContact O-C 3.5Å; Y18-P36 VanDerWaalsContact O-CA 3.29Å; Y18-P36 WeakPolarHBondContact O-CA 3.36Å; Y18-P36 VanDerWaalsContact O-CB 3.26Å; Y18-P36 WeakPolarHBondContact O-CB 3.48Å; G24-P36 WeakPolarHBondContact CA-O 3.31Å; S25-P36 PolarHBondContact N-O 3.09Å; S25-P36 VanDerWaalsContact N-O 3.15Å; S32-P36 VanDerWaalsContact O-CA 3.32Å; S32-P36 WeakPolarHBondContact O-CA 3.48Å; P36-W66 HydrophobicContact CB-CH2 4.18Å; P36-W66 HydrophobicContact CG-CH2 4.27Å
37	F	90.8	Very high	86.5	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-68.5	157.4	167.3	-67.8	-60.3	0	0	0	110.3	M17 Y18 V19 S20 G29 G31 K42 A43 F46	M17-F37 HydrophobicContact SD-CE2 4.34Å; Y18-F37 PolarHBondContact O-N 3.41Å; V19-F37 CarbonylContact C-O 3.51Å; V19-F37 VanDerWaalsContact CA-O 3.23Å; V19-F37 WeakPolarHBondContact CA-O 3.38Å; V19-F37 HydrophobicContact CG2-CB 4.34Å; S20-F37 PolarHBondContact N-O 3.46Å; G29-F37 WeakPolarHBondContact O-CE1 3.17Å; G31-F37 VanDerWaalsContact CA-CD2 3.45Å; F37-K42 HydrophobicContact CB-CB 4.33Å; F37-K42 HydrophobicContact CB-CG 4.36Å; F37-K42 HydrophobicContact CD1-CB 4.25Å; F37-K42 HydrophobicContact CD1-CG 3.4Å; F37-K42 VanDerWaalsContact CD1-CG 3.4Å; F37-K42 HydrophobicContact CE1-CG 3.78Å; F37-K42 HydrophobicContact CG-CB 4.32Å; F37-K42 HydrophobicContact CG-CG 3.93Å; F37-A43 HydrophobicContact CD2-CB 3.76Å; F37-A43 HydrophobicContact CE2-CB 4.39Å; F37-F46 HydrophobicContact CE1-CD2 4.41Å; F37-F46 HydrophobicContact CE2-CB 4.01Å; F37-F46 HydrophobicContact CE2-CD2 4.48Å; F37-F46 HydrophobicContact CE2-CG 4.11Å; F37-F46 HydrophobicContact CZ-CB 3.81Å; F37-F46 HydrophobicContact CZ-CD1 4.38Å; F37-F46 AromaticContact CZ-CD2 3.62Å; F37-F46 HydrophobicContact CZ-CD2 3.62Å; F37-F46 HydrophobicContact CZ-CE2 4.24Å; F37-F46 AromaticContact CZ-CG 3.68Å; F37-F46 HydrophobicContact CZ-CG 3.68Å
38	K	90.1	Very high	86.2	Confident	95 Å²	95	55 Å²	55	41%	0.413	29%	0.291	S	S	.	.	S	Bend	trans	-79.1	-37.9	174.9	-168.2	172.9	-178.8	172.8	0	111.3	V19 S20 D26	V19-K38 WeakPolarHBondContact CG1-O 3.35Å; S20-K38 WeakPolarHBondContact O-CA 3.29Å; D26-K38 HydrophobicContact CB-CB 4.4Å; D26-K38 WeakPolarHBondContact OD1-CA 3.41Å; D26-K38 WeakPolarHBondContact OD1-CB 3.06Å; D26-K38 PolarHBondContact OD1-N 2.7Å
39	T	89.6	Confident	86	Confident	46 Å²	46	57.1 Å²	57.1	28%	0.282	29%	0.294	S	S	.	.	S	Bend	trans	-121.9	148.1	-176.1	68.4	0	0	0	0	113.6	D26 L41 K42 A43	D26-T39 PolarHBondContact OD1-N 2.83Å; D26-T39 WeakPolarHBondContact OD2-CB 3.33Å; D26-T39 VanDerWaalsContact OD2-CG2 3.22Å; D26-T39 WeakPolarHBondContact OD2-CG2 3.41Å; D26-T39 PolarHBondContact OD2-OG1 3.37Å; T39-L41 PolarHBondContact O-N 3.37Å; T39-K42 PolarHBondContact O-N 3.15Å; T39-K42 PolarHBondContact OG1-N 3.33Å; T39-A43 PolarHBondContact O-N 3.05Å
40	P	88.1	Confident	85.8	Confident	34 Å²	34	62.2 Å²	62.2	22%	0.221	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-26.4	172.2	-23.1	34.5	0	0	0	113.3	V19 A43 L44 I69 A77	V19-P40 HydrophobicContact CG1-CG 4.04Å; P40-A43 PolarHBondContact O-N 2.84Å; P40-L44 WeakPolarHBondContact O-CG 3.44Å; P40-L44 PolarHBondContact O-N 3.47Å; P40-L44 VanDerWaalsContact O-N 3.11Å; P40-I69 HydrophobicContact CB-CD1 3.72Å; P40-I69 HydrophobicContact CG-CD1 3.78Å; P40-A77 HydrophobicContact CB-CB 3.81Å
41	L	87.6	Confident	85.6	Confident	50 Å²	50	63.9 Å²	63.9	26%	0.262	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-44.5	176.2	175.6	59.9	0	0	0	111.2	T39 A43 L44 L45 A80 F81	T39-L41 PolarHBondContact O-N 3.37Å; L41-A43 VanDerWaalsContact C-N 3.32Å; L41-A43 PolarHBondContact O-N 3.48Å; L41-L44 PolarHBondContact O-N 3.24Å; L41-L45 HydrophobicContact CD1-CD1 4.28Å; L41-L45 HydrophobicContact CD1-CG 4.27Å; L41-L45 HydrophobicContact CG-CD1 4.07Å; L41-L45 WeakPolarHBondContact O-CG 3.14Å; L41-L45 PolarHBondContact O-N 3.16Å; L41-A80 HydrophobicContact CD1-CB 3.96Å; L41-A80 HydrophobicContact CD2-CB 4.3Å; L41-F81 HydrophobicContact CD1-CB 4.03Å
42	K	87	Confident	85.6	Confident	73 Å²	73	64.8 Å²	64.8	32%	0.317	33%	0.332	S	S	.	.	H	α-helix	trans	-62.5	-40.7	177.7	-176.3	70.3	-176.8	-154.8	0	111.8	D26 F37 T39 L44 L45 F46	D26-K42 HydrophobicContact CB-CB 4.24Å; D26-K42 HydrophobicContact CB-CD 4.26Å; D26-K42 HydrophobicContact CB-CG 4.04Å; D26-K42 WeakPolarHBondContact O-CE 3.4Å; D26-K42 PolarHBondContact O-NZ 3.05Å; D26-K42 WeakPolarHBondContact OD1-CB 3.22Å; F37-K42 HydrophobicContact CB-CB 4.33Å; F37-K42 HydrophobicContact CB-CG 4.36Å; F37-K42 HydrophobicContact CD1-CB 4.25Å; F37-K42 HydrophobicContact CD1-CG 3.4Å; F37-K42 VanDerWaalsContact CD1-CG 3.4Å; F37-K42 HydrophobicContact CE1-CG 3.78Å; F37-K42 HydrophobicContact CG-CB 4.32Å; F37-K42 HydrophobicContact CG-CG 3.93Å; T39-K42 PolarHBondContact O-N 3.15Å; T39-K42 PolarHBondContact OG1-N 3.33Å; K42-L44 PolarHBondContact O-N 2.87Å; K42-L45 PolarHBondContact O-N 2.8Å; K42-F46 WeakPolarHBondContact O-CB 3.49Å; K42-F46 PolarHBondContact O-N 3.43Å
43	A	86.3	Confident	85.4	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-59.1	-44	174.2	0	0	0	0	0	112.2	M17 V19 F37 T39 P40 L41 F46 A47 I55	M17-A43 HydrophobicContact CB-CB 4.5Å; M17-A43 HydrophobicContact SD-CB 3.94Å; V19-A43 HydrophobicContact CG2-CB 3.99Å; F37-A43 HydrophobicContact CD2-CB 3.76Å; F37-A43 HydrophobicContact CE2-CB 4.39Å; T39-A43 PolarHBondContact O-N 3.05Å; P40-A43 PolarHBondContact O-N 2.84Å; L41-A43 VanDerWaalsContact C-N 3.32Å; L41-A43 PolarHBondContact O-N 3.48Å; A43-F46 PolarHBondContact O-N 2.77Å; A43-A47 PolarHBondContact O-N 3.46Å; A43-I55 HydrophobicContact CB-CD1 4Å; A43-I55 HydrophobicContact CB-CG1 4.43Å
44	L	87.1	Confident	85.4	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-67.1	-39.7	176.1	-64.4	177.8	0	0	0	112.8	P40 L41 K42 F46 A47 G48 F52 I55 M74 A77 K78 F81	P40-L44 WeakPolarHBondContact O-CG 3.44Å; P40-L44 PolarHBondContact O-N 3.47Å; P40-L44 VanDerWaalsContact O-N 3.11Å; L41-L44 PolarHBondContact O-N 3.24Å; K42-L44 PolarHBondContact O-N 2.87Å; L44-F46 VanDerWaalsContact C-N 3.3Å; L44-F46 PolarHBondContact O-N 2.84Å; L44-A47 PolarHBondContact O-N 3.35Å; L44-G48 PolarHBondContact O-N 2.82Å; L44-F52 HydrophobicContact CB-CD1 4.46Å; L44-F52 HydrophobicContact CB-CE1 4.14Å; L44-F52 HydrophobicContact CD2-CB 3.89Å; L44-F52 HydrophobicContact CD2-CD1 3.42Å; L44-F52 VanDerWaalsContact CD2-CD1 3.42Å; L44-F52 HydrophobicContact CD2-CD2 3.81Å; L44-F52 HydrophobicContact CD2-CE1 3.79Å; L44-F52 HydrophobicContact CD2-CE2 4.15Å; L44-F52 HydrophobicContact CD2-CG 3.42Å; L44-F52 VanDerWaalsContact CD2-CG 3.42Å; L44-F52 HydrophobicContact CD2-CZ 4.15Å; L44-I55 HydrophobicContact CD2-CD1 3.77Å; L44-I55 HydrophobicContact CG-CD1 4.12Å; L44-M74 HydrophobicContact CD2-CE 3.79Å; L44-M74 HydrophobicContact CD2-SD 4.45Å; L44-A77 HydrophobicContact CD1-CB 3.56Å; L44-A77 WeakPolarHBondContact CD1-O 3.29Å; L44-K78 HydrophobicContact CD1-CG 4.28Å; L44-F81 HydrophobicContact CB-CB 4.2Å; L44-F81 HydrophobicContact CB-CD2 3.73Å; L44-F81 HydrophobicContact CB-CE2 4.44Å; L44-F81 HydrophobicContact CB-CG 4.12Å; L44-F81 HydrophobicContact CD1-CB 4.04Å; L44-F81 VanDerWaalsContact O-CE2 3.32Å; L44-F81 WeakPolarHBondContact O-CE2 3.36Å
45	L	83.9	Confident	85.6	Confident	65 Å²	65	56.3 Å²	56.3	34%	0.34	29%	0.294	S	S	.	.	H	α-helix	trans	-62.3	-38.2	175	-73.1	170.5	0	0	0	112	L41 K42 G48 F81 E84	L41-L45 HydrophobicContact CD1-CD1 4.28Å; L41-L45 HydrophobicContact CD1-CG 4.27Å; L41-L45 HydrophobicContact CG-CD1 4.07Å; L41-L45 WeakPolarHBondContact O-CG 3.14Å; L41-L45 PolarHBondContact O-N 3.16Å; K42-L45 PolarHBondContact O-N 2.8Å; L45-G48 PolarHBondContact O-N 3.49Å; L45-F81 HydrophobicContact CD2-CD2 3.83Å; L45-F81 HydrophobicContact CD2-CE2 3.98Å; L45-F81 HydrophobicContact CG-CD2 4.16Å; L45-E84 HydrophobicContact CD2-CB 4.5Å
46	F	84.8	Confident	85.8	Confident	125 Å²	125	52.8 Å²	52.8	55%	0.548	28%	0.278	S	S	.	.	H	α-helix	trans	-68.9	-39.8	175.6	-170.5	-83	0	0	0	112.2	M17 F37 K42 A43 L44 G48	M17-F46 HydrophobicContact CE-CB 4.44Å; M17-F46 HydrophobicContact CE-CD1 3.38Å; M17-F46 HydrophobicContact CE-CE1 4.01Å; M17-F46 HydrophobicContact CE-CG 4.3Å; F37-F46 HydrophobicContact CE1-CD2 4.41Å; F37-F46 HydrophobicContact CE2-CB 4.01Å; F37-F46 HydrophobicContact CE2-CD2 4.48Å; F37-F46 HydrophobicContact CE2-CG 4.11Å; F37-F46 HydrophobicContact CZ-CB 3.81Å; F37-F46 HydrophobicContact CZ-CD1 4.38Å; F37-F46 AromaticContact CZ-CD2 3.62Å; F37-F46 HydrophobicContact CZ-CD2 3.62Å; F37-F46 HydrophobicContact CZ-CE2 4.24Å; F37-F46 AromaticContact CZ-CG 3.68Å; F37-F46 HydrophobicContact CZ-CG 3.68Å; K42-F46 WeakPolarHBondContact O-CB 3.49Å; K42-F46 PolarHBondContact O-N 3.43Å; A43-F46 PolarHBondContact O-N 2.77Å; L44-F46 VanDerWaalsContact C-N 3.3Å; L44-F46 PolarHBondContact O-N 2.84Å; F46-G48 VanDerWaalsContact C-N 3.28Å; F46-G48 PolarHBondContact O-N 3.46Å
47	A	84.8	Confident	85.8	Confident	31 Å²	31	53.4 Å²	53.4	26%	0.256	28%	0.281	S	S	.	.	H	α-helix	trans	-66.9	-28.4	175.6	0	0	0	0	0	113.1	M17 A43 L44 K49 F52 P53	M17-A47 HydrophobicContact CE-CB 4.32Å; A43-A47 PolarHBondContact O-N 3.46Å; L44-A47 PolarHBondContact O-N 3.35Å; A47-K49 PolarHBondContact O-N 2.98Å; A47-F52 HydrophobicContact CB-CD1 4Å; A47-P53 VanDerWaalsContact CB-CD 3.47Å; A47-P53 HydrophobicContact CB-CG 3.93Å
48	G	78.3	Confident	85.6	Confident	36 Å²	36	56.5 Å²	56.5	37%	0.371	30%	0.295	S	S	.	.			trans	77.4	-40	168.2	0	0	0	0	0	116.1	L44 L45 F46	L44-G48 PolarHBondContact O-N 2.82Å; L45-G48 PolarHBondContact O-N 3.49Å; F46-G48 VanDerWaalsContact C-N 3.28Å; F46-G48 PolarHBondContact O-N 3.46Å
49	K	79.2	Confident	85.2	Confident	167 Å²	167	53.1 Å²	53.1	73%	0.726	28%	0.284	S	S	*	.	S	Bend	trans	-154.1	161.9	179.2	63.8	-177.5	178.5	-177.5	0	113.3	A47	A47-K49 PolarHBondContact O-N 2.98Å
50	E	79.3	Confident	84.5	Confident	121 Å²	121	60.5 Å²	60.5	57%	0.565	32%	0.315	S	S	*	.	S	Bend	trans	-71	147.6	174.1	-70.5	-163.3	157	0	0	112.2	F52 K78	E50-F52 HydrophobicContact CG-CD2 3.54Å; E50-F52 HydrophobicContact CG-CE2 3.35Å; E50-F52 HydrophobicContact CG-CG 4.27Å; E50-F52 HydrophobicContact CG-CZ 3.93Å; E50-F52 WeakPolarHBondContact OE1-CE2 3.32Å; E50-K78 IonicContact OE1-NZ 3.05Å; E50-K78 PolarHBondContact OE1-NZ 2.88Å
51	P	80.9	Confident	84	Confident	110 Å²	110	65.4 Å²	65.4	71%	0.714	33%	0.333	S	S	*	.	S	Bend	cis	-75.1	130.2	2.4	30.5	-33.5	0	0	0	112.5
52	F	83.3	Confident	82.8	Confident	23 Å²	23	72.9 Å²	72.9	10%	0.101	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-70	148.4	177.3	-67.6	-61.7	0	0	0	111.5	L44 A47 E50 M74 K78 F81	L44-F52 HydrophobicContact CB-CD1 4.46Å; L44-F52 HydrophobicContact CB-CE1 4.14Å; L44-F52 HydrophobicContact CD2-CB 3.89Å; L44-F52 HydrophobicContact CD2-CD1 3.42Å; L44-F52 VanDerWaalsContact CD2-CD1 3.42Å; L44-F52 HydrophobicContact CD2-CD2 3.81Å; L44-F52 HydrophobicContact CD2-CE1 3.79Å; L44-F52 HydrophobicContact CD2-CE2 4.15Å; L44-F52 HydrophobicContact CD2-CG 3.42Å; L44-F52 VanDerWaalsContact CD2-CG 3.42Å; L44-F52 HydrophobicContact CD2-CZ 4.15Å; A47-F52 HydrophobicContact CB-CD1 4Å; E50-F52 HydrophobicContact CG-CD2 3.54Å; E50-F52 HydrophobicContact CG-CE2 3.35Å; E50-F52 HydrophobicContact CG-CG 4.27Å; E50-F52 HydrophobicContact CG-CZ 3.93Å; E50-F52 WeakPolarHBondContact OE1-CE2 3.32Å; F52-M74 HydrophobicContact CB-CE 3.88Å; F52-M74 HydrophobicContact CD2-CE 4.23Å; F52-M74 HydrophobicContact CG-CE 4.35Å; F52-K78 HydrophobicContact CD2-CD 4.46Å; F52-K78 HydrophobicContact CD2-CG 4.37Å; F52-K78 HydrophobicContact CE2-CD 4.39Å; F52-K78 HydrophobicContact CE2-CG 4.11Å; F52-F81 HydrophobicContact CE1-CE1 4.23Å; F52-F81 HydrophobicContact CE1-CE2 4.38Å; F52-F81 HydrophobicContact CE1-CZ 4.15Å; F52-F81 AromaticContact CZ-CD1 3.77Å; F52-F81 HydrophobicContact CZ-CD1 3.77Å; F52-F81 AromaticContact CZ-CE1 3.66Å; F52-F81 HydrophobicContact CZ-CE1 3.66Å; F52-F81 HydrophobicContact CZ-CG 4.27Å; F52-F81 HydrophobicContact CZ-CZ 4.06Å
53	P	84.1	Confident	82	Confident	16 Å²	16	73.7 Å²	73.7	10%	0.104	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-64.2	160.4	174.8	25.8	-32.8	0	0	0	113	V14 A15 M17 A47 I55	V14-P53 HydrophobicContact CG1-CB 4.29Å; A15-P53 WeakPolarHBondContact O-CB 3.06Å; M17-P53 HydrophobicContact CB-CG 4.48Å; M17-P53 HydrophobicContact CE-CG 3.99Å; M17-P53 HydrophobicContact CG-CB 4.27Å; M17-P53 HydrophobicContact CG-CG 3.87Å; M17-P53 HydrophobicContact SD-CG 3.53Å; M17-P53 VanDerWaalsContact SD-CG 3.53Å; A47-P53 VanDerWaalsContact CB-CD 3.47Å; A47-P53 HydrophobicContact CB-CG 3.93Å; P53-I55 PolarHBondContact O-N 2.86Å
54	T	88.1	Confident	81.6	Confident	57 Å²	57	78.5 Å²	78.5	35%	0.35	42%	0.418	S	S	.	.			trans	-66.5	115.6	168.8	-54.4	0	0	0	0	108.5	E16 M17 Y56 V68	E16-T54 WeakPolarHBondContact CA-O 3.37Å; M17-T54 PolarHBondContact N-O 2.92Å; T54-Y56 HydrophobicContact CG2-CD2 4.21Å; T54-Y56 HydrophobicContact CG2-CE2 3.56Å; T54-V68 HydrophobicContact CG2-CG1 4.15Å; T54-V68 HydrophobicContact CG2-CG2 4.19Å
55	I	89.3	Confident	81.3	Confident	2 Å²	2	86.4 Å²	86.4	1%	0.01	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.5	177.2	-60	173.8	0	0	0	109	M17 V19 A43 L44 P53 V57 I69 M74	M17-I55 HydrophobicContact CB-CG1 4.4Å; M17-I55 CarbonylContact O-C 3.55Å; M17-I55 VanDerWaalsContact O-CA 3.3Å; M17-I55 WeakPolarHBondContact O-CA 3.45Å; V19-I55 HydrophobicContact CB-CG2 4.32Å; V19-I55 HydrophobicContact CG2-CG2 3.64Å; A43-I55 HydrophobicContact CB-CD1 4Å; A43-I55 HydrophobicContact CB-CG1 4.43Å; L44-I55 HydrophobicContact CD2-CD1 3.77Å; L44-I55 HydrophobicContact CG-CD1 4.12Å; P53-I55 PolarHBondContact O-N 2.86Å; I55-V57 HydrophobicContact CG2-CG1 4.48Å; I55-I69 HydrophobicContact CB-CB 4.31Å; I55-I69 HydrophobicContact CB-CG2 3.89Å; I55-I69 HydrophobicContact CG2-CB 4.33Å; I55-I69 HydrophobicContact CG2-CD1 4.24Å; I55-I69 HydrophobicContact CG2-CG2 4.43Å; I55-I69 WeakPolarHBondContact O-CB 3.43Å; I55-I69 WeakPolarHBondContact O-CG2 3.03Å; I55-I69 PolarHBondContact O-N 2.97Å; I55-M74 HydrophobicContact CD1-CE 4.34Å; I55-M74 HydrophobicContact CD1-SD 4.1Å
56	Y	90.1	Very high	81.5	Confident	49 Å²	49	85.1 Å²	85.1	19%	0.192	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	133.5	171	-71.3	-91.7	0	0	0	109.9	E16 M17 Y18 V19 T54 W66 A67 V68	E16-Y56 HydrophobicContact CB-CD2 4.04Å; E16-Y56 HydrophobicContact CB-CE2 3.85Å; E16-Y56 VanDerWaalsContact CD-CE2 3.45Å; E16-Y56 HydrophobicContact CG-CD2 4.44Å; E16-Y56 HydrophobicContact CG-CE2 3.74Å; E16-Y56 PolarHBondContact OE1-OH 2.87Å; M17-Y56 PolarHBondContact O-N 2.82Å; Y18-Y56 CarbonylContact C-O 3.55Å; Y18-Y56 WeakPolarHBondContact CA-O 3.36Å; Y18-Y56 HydrophobicContact CD1-CG 4.33Å; Y18-Y56 HydrophobicContact CE1-CD2 4.21Å; Y18-Y56 HydrophobicContact CE1-CG 4.07Å; V19-Y56 PolarHBondContact N-O 2.97Å; T54-Y56 HydrophobicContact CG2-CD2 4.21Å; T54-Y56 HydrophobicContact CG2-CE2 3.56Å; Y56-W66 HydrophobicContact CD1-CB 4.04Å; Y56-W66 HydrophobicContact CG-CB 4.46Å; Y56-A67 CarbonylContact C-O 3.52Å; Y56-A67 WeakPolarHBondContact CA-O 3.28Å; Y56-V68 HydrophobicContact CD1-CG2 4.24Å; Y56-V68 HydrophobicContact CE1-CG2 3.71Å
57	V	89.4	Confident	81.5	Confident	21 Å²	21	80.6 Å²	80.6	13%	0.127	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	160.4	173.6	-64.2	0	0	0	0	109.3	V19 I55 S59 W66 A67 I69	V19-V57 HydrophobicContact CB-CG1 4.2Å; V19-V57 WeakPolarHBondContact O-CA 3.1Å; I55-V57 HydrophobicContact CG2-CG1 4.48Å; V57-S59 PolarHBondContact O-N 3.12Å; V57-W66 WeakPolarHBondContact O-CA 3.39Å; V57-A67 WeakPolarHBondContact CG2-O 3.39Å; V57-A67 PolarHBondContact N-O 3.26Å; V57-A67 PolarHBondContact O-N 3.07Å; V57-I69 HydrophobicContact CG1-CB 4.08Å; V57-I69 HydrophobicContact CG1-CD1 4.18Å; V57-I69 HydrophobicContact CG1-CG1 4.02Å
58	E	86	Confident	81.7	Confident	65 Å²	65	83.3 Å²	83.3	30%	0.304	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	127.5	174.6	-71.9	-176.2	167	0	0	111.2	S20 H23 W66	S20-E58 WeakPolarHBondContact CB-OE1 3.41Å; S20-E58 PolarHBondContact OG-OE1 2.72Å; H23-E58 IonicContact CD2-OE1 3.07Å; H23-E58 PolarHBondContact CD2-OE1 3.35Å; E58-W66 HydrophobicContact CG-CZ3 4.11Å
59	S	81.9	Confident	82.2	Confident	24 Å²	24	82.3 Å²	82.3	17%	0.168	42%	0.423	C	S	.	.			trans	-73.5	149.2	179.4	-171.7	0	0	0	0	110.9	V57 K61 E64 R65	V57-S59 PolarHBondContact O-N 3.12Å; S59-K61 PolarHBondContact OG-N 3.36Å; S59-E64 VanDerWaalsContact CB-O 3.27Å; S59-E64 WeakPolarHBondContact CB-O 3.36Å; S59-R65 PolarHBondContact N-O 2.99Å
60	Q	75.8	Confident	82.7	Confident	201 Å²	201	76.8 Å²	76.8	94%	0.939	41%	0.405	S	S	*	.			trans	-95.7	-0	173.2	-64.8	-166.1	-18.5	0	0	113
61	K	77.4	Confident	82.9	Confident	138 Å²	138	80.4 Å²	80.4	60%	0.6	42%	0.42	S	S	*	.	S	Bend	trans	-91	134.7	179	-66.1	179.8	-175.5	170.2	0	110.6	S59 G63 E64	S59-K61 PolarHBondContact OG-N 3.36Å; K61-G63 PolarHBondContact O-N 3.02Å; K61-E64 WeakPolarHBondContact CD-OE2 3.14Å; K61-E64 IonicContact NZ-OE2 3.98Å; K61-E64 PolarHBondContact O-N 3.21Å
62	E	62.7	Low	83.1	Confident	207 Å²	207	79.8 Å²	79.8	97%	0.967	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	121.7	172	-77.9	-177.2	150.5	0	0	110.5
63	G	69.9	Low	83.1	Confident	89 Å²	89	83.2 Å²	83.2	92%	0.918	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	99	-10	177.3	0	0	0	0	0	116.1	K61	K61-G63 PolarHBondContact O-N 3.02Å
64	E	78.1	Confident	83.2	Confident	101 Å²	101	84 Å²	84	47%	0.472	43%	0.433	S	S	.	.			trans	-108.5	128.4	172.1	-73.5	177.4	179.9	0	0	109.3	S59 K61	S59-E64 VanDerWaalsContact CB-O 3.27Å; S59-E64 WeakPolarHBondContact CB-O 3.36Å; K61-E64 WeakPolarHBondContact CD-OE2 3.14Å; K61-E64 IonicContact NZ-OE2 3.98Å; K61-E64 PolarHBondContact O-N 3.21Å
65	R	79.9	Confident	83.1	Confident	166 Å²	166	88.8 Å²	88.8	63%	0.626	45%	0.449	S	S	*	.	S	Bend	trans	-81.4	-39.7	177.6	-171.7	178.3	-179.3	-170.3	5.5	112.1	E33 S59	E33-R65 IonicContact OE1-CZ 3.82Å; E33-R65 IonicContact OE1-NH1 3.17Å; E33-R65 PolarHBondContact OE1-NH1 3.12Å; S59-R65 PolarHBondContact N-O 2.99Å
66	W	87.4	Confident	82.9	Confident	38 Å²	38	93.4 Å²	93.4	14%	0.144	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	138.8	-172.3	-60.7	112.6	0	0	0	111.1	Y18 E33 P36 Y56 V57 E58	Y18-W66 AromaticContact CD1-CD2 3.56Å; Y18-W66 HydrophobicContact CD1-CD2 3.56Å; Y18-W66 AromaticContact CD1-CE2 3.63Å; Y18-W66 AromaticContact CD1-CE3 3.85Å; Y18-W66 HydrophobicContact CD1-CE3 3.85Å; Y18-W66 AromaticContact CD1-CG 3.92Å; Y18-W66 HydrophobicContact CD1-CG 3.92Å; Y18-W66 HydrophobicContact CD1-CH2 4.28Å; Y18-W66 AromaticContact CD1-CZ2 4Å; Y18-W66 HydrophobicContact CD1-CZ2 4Å; Y18-W66 HydrophobicContact CD1-CZ3 4.21Å; Y18-W66 AromaticContact CD1-NE1 4Å; Y18-W66 AromaticContact CE1-CD1 3.96Å; Y18-W66 HydrophobicContact CE1-CD2 4.12Å; Y18-W66 AromaticContact CE1-CG 3.98Å; Y18-W66 HydrophobicContact CE1-CG 3.98Å; Y18-W66 HydrophobicContact CG-CZ2 4.44Å; E33-W66 VanDerWaalsContact CD-NE1 3.3Å; E33-W66 HydrophobicContact CG-CZ2 3.74Å; E33-W66 VanDerWaalsContact CG-NE1 3.26Å; E33-W66 PolarHBondContact OE1-NE1 2.84Å; P36-W66 HydrophobicContact CB-CH2 4.18Å; P36-W66 HydrophobicContact CG-CH2 4.27Å; Y56-W66 HydrophobicContact CD1-CB 4.04Å; Y56-W66 HydrophobicContact CG-CB 4.46Å; V57-W66 WeakPolarHBondContact O-CA 3.39Å; E58-W66 HydrophobicContact CG-CZ3 4.11Å
67	A	86.5	Confident	82.7	Confident	30 Å²	30	91.5 Å²	91.5	25%	0.248	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.2	172.9	0	0	0	0	0	109.7	Y56 V57 I69	Y56-A67 CarbonylContact C-O 3.52Å; Y56-A67 WeakPolarHBondContact CA-O 3.28Å; V57-A67 WeakPolarHBondContact CG2-O 3.39Å; V57-A67 PolarHBondContact N-O 3.26Å; V57-A67 PolarHBondContact O-N 3.07Å; A67-I69 PolarHBondContact O-N 3.27Å
68	V	87.9	Confident	82.6	Confident	88 Å²	88	93.8 Å²	93.8	53%	0.533	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	132.8	173.5	-179.5	0	0	0	0	109	T54 Y56 S70	T54-V68 HydrophobicContact CG2-CG1 4.15Å; T54-V68 HydrophobicContact CG2-CG2 4.19Å; Y56-V68 HydrophobicContact CD1-CG2 4.24Å; Y56-V68 HydrophobicContact CE1-CG2 3.71Å; V68-S70 PolarHBondContact O-N 3.23Å
69	I	89.3	Confident	82.6	Confident	16 Å²	16	98.3 Å²	98.3	8%	0.082	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-50.5	135.4	179	-168.5	167.9	0	0	0	111	P40 I55 V57 A67 Q73 M74	P40-I69 HydrophobicContact CB-CD1 3.72Å; P40-I69 HydrophobicContact CG-CD1 3.78Å; I55-I69 HydrophobicContact CB-CB 4.31Å; I55-I69 HydrophobicContact CB-CG2 3.89Å; I55-I69 HydrophobicContact CG2-CB 4.33Å; I55-I69 HydrophobicContact CG2-CD1 4.24Å; I55-I69 HydrophobicContact CG2-CG2 4.43Å; I55-I69 WeakPolarHBondContact O-CB 3.43Å; I55-I69 WeakPolarHBondContact O-CG2 3.03Å; I55-I69 PolarHBondContact O-N 2.97Å; V57-I69 HydrophobicContact CG1-CB 4.08Å; V57-I69 HydrophobicContact CG1-CD1 4.18Å; V57-I69 HydrophobicContact CG1-CG1 4.02Å; A67-I69 PolarHBondContact O-N 3.27Å; I69-Q73 HydrophobicContact CD1-CB 3.89Å; I69-Q73 HydrophobicContact CG1-CB 3.55Å; I69-M74 HydrophobicContact CG2-CB 4.06Å; I69-M74 HydrophobicContact CG2-CG 4.39Å; I69-M74 HydrophobicContact CG2-SD 3.98Å
70	S	88.5	Confident	82.7	Confident	50 Å²	50	98.9 Å²	98.9	35%	0.35	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-64.4	152.3	-178.9	69.3	0	0	0	0	111.7	V68 T72 Q73 M74	V68-S70 PolarHBondContact O-N 3.23Å; S70-T72 PolarHBondContact O-N 3.3Å; S70-T72 VanDerWaalsContact O-N 3.12Å; S70-Q73 PolarHBondContact O-N 2.85Å; S70-Q73 VanDerWaalsContact O-N 3.12Å; S70-Q73 WeakPolarHBondContact OG-CB 3.48Å; S70-Q73 VanDerWaalsContact OG-CD 3.32Å; S70-Q73 VanDerWaalsContact OG-CG 3.26Å; S70-Q73 WeakPolarHBondContact OG-CG 3.32Å; S70-Q73 PolarHBondContact OG-N 2.88Å; S70-Q73 PolarHBondContact OG-OE1 2.88Å; S70-M74 WeakPolarHBondContact O-CB 3.27Å; S70-M74 PolarHBondContact O-N 3.49Å
71	K	84.9	Confident	83.2	Confident	198 Å²	198	89.9 Å²	89.9	86%	0.861	46%	0.459	S	S	*	.	H	α-helix	trans	-53.6	-35.4	176.4	-69.3	-175.3	179.3	179.1	0	112.6	K75	K71-K75 VanDerWaalsContact O-CB 3.28Å; K71-K75 WeakPolarHBondContact O-CB 3.36Å; K71-K75 PolarHBondContact O-N 2.77Å
72	T	85	Confident	83.6	Confident	96 Å²	96	87.6 Å²	87.6	59%	0.589	45%	0.453	S	S	*	.	H	α-helix	trans	-70.6	-47.6	178.1	-56.1	0	0	0	0	111.8	S70 K75 N76	S70-T72 PolarHBondContact O-N 3.3Å; S70-T72 VanDerWaalsContact O-N 3.12Å; T72-K75 PolarHBondContact O-N 2.61Å; T72-N76 PolarHBondContact O-N 2.83Å
73	Q	83.4	Confident	84.6	Confident	95 Å²	95	86 Å²	86	44%	0.444	44%	0.438	S	S	.	.	H	α-helix	trans	-63.9	-41.8	177.3	-73.5	165.7	-50	0	0	111.3	I69 S70 K75 N76 A77	I69-Q73 HydrophobicContact CD1-CB 3.89Å; I69-Q73 HydrophobicContact CG1-CB 3.55Å; S70-Q73 PolarHBondContact O-N 2.85Å; S70-Q73 VanDerWaalsContact O-N 3.12Å; S70-Q73 WeakPolarHBondContact OG-CB 3.48Å; S70-Q73 VanDerWaalsContact OG-CD 3.32Å; S70-Q73 VanDerWaalsContact OG-CG 3.26Å; S70-Q73 WeakPolarHBondContact OG-CG 3.32Å; S70-Q73 PolarHBondContact OG-N 2.88Å; S70-Q73 PolarHBondContact OG-OE1 2.88Å; Q73-K75 PolarHBondContact O-N 3.02Å; Q73-N76 PolarHBondContact O-N 2.87Å; Q73-A77 WeakPolarHBondContact O-CB 3.2Å; Q73-A77 PolarHBondContact O-N 2.92Å
74	M	85.9	Confident	85.2	Confident	33 Å²	33	84.6 Å²	84.6	16%	0.163	41%	0.407	C	S	.	.	H	α-helix	trans	-62.7	-42.3	175.1	-169.1	61.5	174.9	0	0	111.9	L44 F52 I55 I69 S70 N76 A77 K78	L44-M74 HydrophobicContact CD2-CE 3.79Å; L44-M74 HydrophobicContact CD2-SD 4.45Å; F52-M74 HydrophobicContact CB-CE 3.88Å; F52-M74 HydrophobicContact CD2-CE 4.23Å; F52-M74 HydrophobicContact CG-CE 4.35Å; I55-M74 HydrophobicContact CD1-CE 4.34Å; I55-M74 HydrophobicContact CD1-SD 4.1Å; I69-M74 HydrophobicContact CG2-CB 4.06Å; I69-M74 HydrophobicContact CG2-CG 4.39Å; I69-M74 HydrophobicContact CG2-SD 3.98Å; S70-M74 WeakPolarHBondContact O-CB 3.27Å; S70-M74 PolarHBondContact O-N 3.49Å; M74-N76 VanDerWaalsContact C-N 3.34Å; M74-N76 PolarHBondContact O-N 2.86Å; M74-A77 PolarHBondContact O-N 3.13Å; M74-K78 HydrophobicContact CE-CG 4.5Å; M74-K78 WeakPolarHBondContact O-CB 3.37Å; M74-K78 WeakPolarHBondContact O-CG 3.42Å; M74-K78 PolarHBondContact O-N 3.13Å
75	K	86.1	Confident	85.4	Confident	158 Å²	158	82.8 Å²	82.8	69%	0.687	40%	0.399	S	S	*	.	H	α-helix	trans	-61.3	-42	175.3	-177.1	-179.7	178.5	-179.1	0	111.9	K71 T72 Q73 K79	K71-K75 VanDerWaalsContact O-CB 3.28Å; K71-K75 WeakPolarHBondContact O-CB 3.36Å; K71-K75 PolarHBondContact O-N 2.77Å; T72-K75 PolarHBondContact O-N 2.61Å; Q73-K75 PolarHBondContact O-N 3.02Å; K75-K79 WeakPolarHBondContact O-CB 3.45Å; K75-K79 PolarHBondContact O-N 3.27Å
76	N	85.3	Confident	85.5	Confident	99 Å²	99	81.5 Å²	81.5	53%	0.529	40%	0.402	S	S	.	.	H	α-helix	trans	-67.1	-42.8	177.5	-71.9	-15.5	0	0	0	111.8	T72 Q73 M74 K79 A80	T72-N76 PolarHBondContact O-N 2.83Å; Q73-N76 PolarHBondContact O-N 2.87Å; M74-N76 VanDerWaalsContact C-N 3.34Å; M74-N76 PolarHBondContact O-N 2.86Å; N76-K79 PolarHBondContact O-N 3.05Å; N76-A80 PolarHBondContact O-N 2.89Å
77	A	85.8	Confident	85.3	Confident	8 Å²	8	84.5 Å²	84.5	7%	0.066	42%	0.416	C	S	.	.	H	α-helix	trans	-62.6	-45.2	175.9	0	0	0	0	0	111.7	P40 L44 Q73 M74 K79 A80 F81	P40-A77 HydrophobicContact CB-CB 3.81Å; L44-A77 HydrophobicContact CD1-CB 3.56Å; L44-A77 WeakPolarHBondContact CD1-O 3.29Å; Q73-A77 WeakPolarHBondContact O-CB 3.2Å; Q73-A77 PolarHBondContact O-N 2.92Å; M74-A77 PolarHBondContact O-N 3.13Å; A77-K79 VanDerWaalsContact C-N 3.34Å; A77-K79 PolarHBondContact O-N 2.88Å; A77-A80 PolarHBondContact O-N 3.4Å; A77-F81 WeakPolarHBondContact O-CB 3.36Å; A77-F81 PolarHBondContact O-N 3.37Å
78	K	86.1	Confident	85	Confident	69 Å²	69	86.1 Å²	86.1	30%	0.3	42%	0.42	S	S	.	.	H	α-helix	trans	-60	-40.9	173.5	-74.3	-172.3	179.6	-148	0	112.5	L44 E50 F52 M74 A80 F81 N82	L44-K78 HydrophobicContact CD1-CG 4.28Å; E50-K78 IonicContact OE1-NZ 3.05Å; E50-K78 PolarHBondContact OE1-NZ 2.88Å; F52-K78 HydrophobicContact CD2-CD 4.46Å; F52-K78 HydrophobicContact CD2-CG 4.37Å; F52-K78 HydrophobicContact CE2-CD 4.39Å; F52-K78 HydrophobicContact CE2-CG 4.11Å; M74-K78 HydrophobicContact CE-CG 4.5Å; M74-K78 WeakPolarHBondContact O-CB 3.37Å; M74-K78 WeakPolarHBondContact O-CG 3.42Å; M74-K78 PolarHBondContact O-N 3.13Å; K78-A80 VanDerWaalsContact C-N 3.35Å; K78-F81 PolarHBondContact O-N 3.19Å; K78-N82 WeakPolarHBondContact O-CB 3.47Å; K78-N82 VanDerWaalsContact O-CG 3.24Å; K78-N82 PolarHBondContact O-N 3.31Å; K78-N82 PolarHBondContact O-OD1 3.06Å
79	K	86.6	Confident	84.8	Confident	160 Å²	160	86.1 Å²	86.1	70%	0.696	42%	0.418	S	S	*	.	H	α-helix	trans	-64	-40	176	-170.4	-179.6	-179.6	-176.8	0	111.8	K75 N76 A77 R83	K75-K79 WeakPolarHBondContact O-CB 3.45Å; K75-K79 PolarHBondContact O-N 3.27Å; N76-K79 PolarHBondContact O-N 3.05Å; A77-K79 VanDerWaalsContact C-N 3.34Å; A77-K79 PolarHBondContact O-N 2.88Å; K79-R83 WeakPolarHBondContact O-CB 3.4Å; K79-R83 PolarHBondContact O-N 3.31Å; K79-R83 VanDerWaalsContact O-N 3.13Å
80	A	84.2	Confident	84.5	Confident	37 Å²	37	88.2 Å²	88.2	31%	0.306	44%	0.437	S	S	.	.	H	α-helix	trans	-68.3	-42.9	175.6	0	0	0	0	0	112	L41 N76 A77 K78 R83 E84	L41-A80 HydrophobicContact CD1-CB 3.96Å; L41-A80 HydrophobicContact CD2-CB 4.3Å; N76-A80 PolarHBondContact O-N 2.89Å; A77-A80 PolarHBondContact O-N 3.4Å; K78-A80 VanDerWaalsContact C-N 3.35Å; A80-R83 WeakPolarHBondContact O-CB 3.34Å; A80-R83 PolarHBondContact O-N 3.41Å; A80-E84 PolarHBondContact O-N 2.88Å
81	F	86.7	Confident	84.2	Confident	12 Å²	12	91.5 Å²	91.5	5%	0.053	45%	0.445	C	S	.	.	H	α-helix	trans	-58.8	-48.6	174.6	173.9	-92	0	0	0	111.5	L41 L44 L45 F52 A77 K78 R83 E84 Q85	L41-F81 HydrophobicContact CD1-CB 4.03Å; L44-F81 HydrophobicContact CB-CB 4.2Å; L44-F81 HydrophobicContact CB-CD2 3.73Å; L44-F81 HydrophobicContact CB-CE2 4.44Å; L44-F81 HydrophobicContact CB-CG 4.12Å; L44-F81 HydrophobicContact CD1-CB 4.04Å; L44-F81 VanDerWaalsContact O-CE2 3.32Å; L44-F81 WeakPolarHBondContact O-CE2 3.36Å; L45-F81 HydrophobicContact CD2-CD2 3.83Å; L45-F81 HydrophobicContact CD2-CE2 3.98Å; L45-F81 HydrophobicContact CG-CD2 4.16Å; F52-F81 HydrophobicContact CE1-CE1 4.23Å; F52-F81 HydrophobicContact CE1-CE2 4.38Å; F52-F81 HydrophobicContact CE1-CZ 4.15Å; F52-F81 AromaticContact CZ-CD1 3.77Å; F52-F81 HydrophobicContact CZ-CD1 3.77Å; F52-F81 AromaticContact CZ-CE1 3.66Å; F52-F81 HydrophobicContact CZ-CE1 3.66Å; F52-F81 HydrophobicContact CZ-CG 4.27Å; F52-F81 HydrophobicContact CZ-CZ 4.06Å; A77-F81 WeakPolarHBondContact O-CB 3.36Å; A77-F81 PolarHBondContact O-N 3.37Å; K78-F81 PolarHBondContact O-N 3.19Å; F81-R83 VanDerWaalsContact C-N 3.27Å; F81-R83 PolarHBondContact O-N 3.13Å; F81-E84 PolarHBondContact O-N 2.82Å; F81-Q85 HydrophobicContact CD1-CG 4.11Å; F81-Q85 HydrophobicContact CE1-CG 3.62Å; F81-Q85 HydrophobicContact CE2-CG 4.16Å; F81-Q85 HydrophobicContact CZ-CG 3.64Å; F81-Q85 WeakPolarHBondContact O-CB 3.27Å; F81-Q85 WeakPolarHBondContact O-CG 3.49Å; F81-Q85 PolarHBondContact O-N 3.07Å
82	N	84.8	Confident	84.1	Confident	90 Å²	90	86.3 Å²	86.3	48%	0.481	43%	0.427	S	S	.	.	H	α-helix	trans	-61.7	-36	176.9	-70.4	-6.4	0	0	0	112	K78 M86	K78-N82 WeakPolarHBondContact O-CB 3.47Å; K78-N82 VanDerWaalsContact O-CG 3.24Å; K78-N82 PolarHBondContact O-N 3.31Å; K78-N82 PolarHBondContact O-OD1 3.06Å; N82-M86 WeakPolarHBondContact O-CB 3.48Å; N82-M86 WeakPolarHBondContact O-CG 3.44Å; N82-M86 PolarHBondContact O-N 2.89Å
83	R	84.1	Confident	84.1	Confident	174 Å²	174	88.2 Å²	88.2	66%	0.657	43%	0.427	S	S	*	.	H	α-helix	trans	-67.9	-39.4	176.3	-171.9	-178.7	-179	-168.9	-0.1	112.1	K79 A80 F81 K87	K79-R83 WeakPolarHBondContact O-CB 3.4Å; K79-R83 PolarHBondContact O-N 3.31Å; K79-R83 VanDerWaalsContact O-N 3.13Å; A80-R83 WeakPolarHBondContact O-CB 3.34Å; A80-R83 PolarHBondContact O-N 3.41Å; F81-R83 VanDerWaalsContact C-N 3.27Å; F81-R83 PolarHBondContact O-N 3.13Å; R83-K87 VanDerWaalsContact O-CG 3.3Å; R83-K87 WeakPolarHBondContact O-CG 3.49Å; R83-K87 PolarHBondContact O-N 2.96Å; R83-K87 VanDerWaalsContact O-N 3.08Å
84	E	82.8	Confident	84.1	Confident	58 Å²	58	89.9 Å²	89.9	27%	0.271	43%	0.433	S	S	.	.	H	α-helix	trans	-69	-42.9	174.4	-80.6	-62	128.6	0	0	111.7	L45 A80 F81 K87 N88	L45-E84 HydrophobicContact CD2-CB 4.5Å; A80-E84 PolarHBondContact O-N 2.88Å; F81-E84 PolarHBondContact O-N 2.82Å; E84-K87 WeakPolarHBondContact O-CB 3.22Å; E84-K87 PolarHBondContact O-N 3Å; E84-K87 IonicContact OE1-NZ 3.64Å; E84-K87 PolarHBondContact OE1-NZ 2.76Å; E84-N88 WeakPolarHBondContact O-CB 3.19Å; E84-N88 VanDerWaalsContact O-CG 3.29Å; E84-N88 PolarHBondContact O-N 2.9Å; E84-N88 PolarHBondContact O-ND2 2.91Å
85	Q	82.3	Confident	83.9	Confident	64 Å²	64	92.8 Å²	92.8	30%	0.299	45%	0.446	S	S	.	.	H	α-helix	trans	-57.3	-50.7	172.1	-79.4	-72.6	-40.7	0	0	111.4	F81 K87 N88 D89	F81-Q85 HydrophobicContact CD1-CG 4.11Å; F81-Q85 HydrophobicContact CE1-CG 3.62Å; F81-Q85 HydrophobicContact CE2-CG 4.16Å; F81-Q85 HydrophobicContact CZ-CG 3.64Å; F81-Q85 WeakPolarHBondContact O-CB 3.27Å; F81-Q85 WeakPolarHBondContact O-CG 3.49Å; F81-Q85 PolarHBondContact O-N 3.07Å; Q85-K87 VanDerWaalsContact C-N 3.27Å; Q85-K87 PolarHBondContact O-N 3.31Å; Q85-N88 PolarHBondContact O-N 2.88Å; Q85-N88 VanDerWaalsContact O-N 3.11Å; Q85-D89 WeakPolarHBondContact O-CB 3.45Å; Q85-D89 PolarHBondContact O-N 3.49Å
86	M	82.1	Confident	83.7	Confident	139 Å²	139	87.6 Å²	87.6	69%	0.685	43%	0.432	S	S	*	.	H	α-helix	trans	-61.5	-33.1	177.2	-71.2	-179.4	97.3	0	0	113.3	N82 A90	N82-M86 WeakPolarHBondContact O-CB 3.48Å; N82-M86 WeakPolarHBondContact O-CG 3.44Å; N82-M86 PolarHBondContact O-N 2.89Å; M86-A90 WeakPolarHBondContact O-CB 3.5Å; M86-A90 PolarHBondContact O-N 2.89Å
87	K	83.1	Confident	83.7	Confident	101 Å²	101	88 Å²	88	44%	0.439	43%	0.431	S	S	.	.	H	α-helix	trans	-69.7	-43.3	173.8	-77.8	174.7	-176.8	175.7	0	111.6	R83 E84 Q85 A90 K91	R83-K87 VanDerWaalsContact O-CG 3.3Å; R83-K87 WeakPolarHBondContact O-CG 3.49Å; R83-K87 PolarHBondContact O-N 2.96Å; R83-K87 VanDerWaalsContact O-N 3.08Å; E84-K87 WeakPolarHBondContact O-CB 3.22Å; E84-K87 PolarHBondContact O-N 3Å; E84-K87 IonicContact OE1-NZ 3.64Å; E84-K87 PolarHBondContact OE1-NZ 2.76Å; Q85-K87 VanDerWaalsContact C-N 3.27Å; Q85-K87 PolarHBondContact O-N 3.31Å; K87-A90 PolarHBondContact O-N 3.15Å; K87-K91 VanDerWaalsContact O-CB 3.3Å; K87-K91 WeakPolarHBondContact O-CB 3.4Å; K87-K91 PolarHBondContact O-N 2.68Å
88	N	81.1	Confident	83.5	Confident	63 Å²	63	90.3 Å²	90.3	34%	0.337	44%	0.443	S	S	.	.	H	α-helix	trans	-65.9	-48	178.2	-70	-16.5	0	0	0	110.2	E84 Q85 A90 K91 D92	E84-N88 WeakPolarHBondContact O-CB 3.19Å; E84-N88 VanDerWaalsContact O-CG 3.29Å; E84-N88 PolarHBondContact O-N 2.9Å; E84-N88 PolarHBondContact O-ND2 2.91Å; Q85-N88 PolarHBondContact O-N 2.88Å; Q85-N88 VanDerWaalsContact O-N 3.11Å; N88-A90 VanDerWaalsContact C-N 3.31Å; N88-A90 PolarHBondContact O-N 2.8Å; N88-K91 CarbonylContact O-C 3.5Å; N88-K91 WeakPolarHBondContact O-CA 3.24Å; N88-K91 WeakPolarHBondContact O-CB 3.42Å; N88-K91 PolarHBondContact O-N 2.86Å; N88-D92 WeakPolarHBondContact O-CB 3.33Å; N88-D92 PolarHBondContact O-N 3.31Å
89	D	82.3	Confident	83.4	Confident	89 Å²	89	91.5 Å²	91.5	48%	0.476	45%	0.452	S	S	.	.	H	α-helix	trans	-58.1	-41.8	174.5	-66.2	-20.1	0	0	0	111.9	Q85 K93	Q85-D89 WeakPolarHBondContact O-CB 3.45Å; Q85-D89 PolarHBondContact O-N 3.49Å; D89-K93 WeakPolarHBondContact O-CB 3.22Å; D89-K93 PolarHBondContact O-N 3.03Å
90	A	83.6	Confident	83.4	Confident	60 Å²	60	89.2 Å²	89.2	50%	0.496	44%	0.444	S	S	.	.	H	α-helix	trans	-67.3	-36.1	176	0	0	0	0	0	112.4	M86 K87 N88 K94	M86-A90 WeakPolarHBondContact O-CB 3.5Å; M86-A90 PolarHBondContact O-N 2.89Å; K87-A90 PolarHBondContact O-N 3.15Å; N88-A90 VanDerWaalsContact C-N 3.31Å; N88-A90 PolarHBondContact O-N 2.8Å; A90-K94 VanDerWaalsContact O-CB 3.27Å; A90-K94 WeakPolarHBondContact O-CB 3.38Å; A90-K94 PolarHBondContact O-N 2.91Å
91	K	82.3	Confident	83.5	Confident	118 Å²	118	94.3 Å²	94.3	51%	0.513	46%	0.455	S	S	.	.	H	α-helix	trans	-67.6	-49.6	174.7	-178.7	-173.4	168.5	-168.1	0	110.6	K87 N88 K93 K94 E95	K87-K91 VanDerWaalsContact O-CB 3.3Å; K87-K91 WeakPolarHBondContact O-CB 3.4Å; K87-K91 PolarHBondContact O-N 2.68Å; N88-K91 CarbonylContact O-C 3.5Å; N88-K91 WeakPolarHBondContact O-CA 3.24Å; N88-K91 WeakPolarHBondContact O-CB 3.42Å; N88-K91 PolarHBondContact O-N 2.86Å; K91-K93 VanDerWaalsContact C-N 3.35Å; K91-K93 PolarHBondContact O-N 2.78Å; K91-K94 WeakPolarHBondContact O-CB 3.46Å; K91-K94 PolarHBondContact O-N 3.22Å; K91-K94 VanDerWaalsContact O-N 3.16Å; K91-E95 WeakPolarHBondContact CE-OE1 3.44Å; K91-E95 IonicContact NZ-OE1 3.25Å; K91-E95 WeakPolarHBondContact O-CB 3.24Å; K91-E95 WeakPolarHBondContact O-CG 3.45Å; K91-E95 PolarHBondContact O-N 3.37Å
92	D	82.7	Confident	83.4	Confident	89 Å²	89	100.4 Å²	100.4	48%	0.476	48%	0.478	S	S	.	.	H	α-helix	trans	-63.1	-41.9	-179.7	-66.5	-6.5	0	0	0	110.9	N88 E95 A96	N88-D92 WeakPolarHBondContact O-CB 3.33Å; N88-D92 PolarHBondContact O-N 3.31Å; D92-E95 PolarHBondContact O-N 2.78Å; D92-A96 WeakPolarHBondContact O-CB 3.49Å; D92-A96 PolarHBondContact O-N 2.86Å
93	K	84.8	Confident	83.5	Confident	136 Å²	136	102.3 Å²	102.3	59%	0.591	48%	0.484	S	S	*	.	H	α-helix	trans	-62.6	-43.6	173.7	-175.2	177.3	177.1	-177.1	0	111.8	D89 K91 A96 E97	D89-K93 WeakPolarHBondContact O-CB 3.22Å; D89-K93 PolarHBondContact O-N 3.03Å; K91-K93 VanDerWaalsContact C-N 3.35Å; K91-K93 PolarHBondContact O-N 2.78Å; K93-A96 PolarHBondContact O-N 3.01Å; K93-E97 WeakPolarHBondContact CE-OE1 3.47Å; K93-E97 WeakPolarHBondContact O-CB 3.41Å; K93-E97 WeakPolarHBondContact O-CG 3.31Å; K93-E97 PolarHBondContact O-N 2.91Å
94	K	84.5	Confident	83.7	Confident	131 Å²	131	99.9 Å²	99.9	57%	0.57	48%	0.478	S	S	*	.	H	α-helix	trans	-64.5	-42	176.5	-175.8	-177.2	176.3	-172.6	0	111.6	A90 K91 E97 D98	A90-K94 VanDerWaalsContact O-CB 3.27Å; A90-K94 WeakPolarHBondContact O-CB 3.38Å; A90-K94 PolarHBondContact O-N 2.91Å; K91-K94 WeakPolarHBondContact O-CB 3.46Å; K91-K94 PolarHBondContact O-N 3.22Å; K91-K94 VanDerWaalsContact O-N 3.16Å; K94-E97 PolarHBondContact O-N 3.29Å; K94-D98 VanDerWaalsContact O-CB 3.31Å; K94-D98 WeakPolarHBondContact O-CB 3.33Å; K94-D98 PolarHBondContact O-N 3.18Å
95	E	80.9	Confident	83.9	Confident	93 Å²	93	100.3 Å²	100.3	44%	0.435	48%	0.482	S	S	.	.	H	α-helix	trans	-63.9	-40.2	176.1	-75.7	-179.5	-176.5	0	0	111.6	K91 D92 D98 N99	K91-E95 WeakPolarHBondContact CE-OE1 3.44Å; K91-E95 IonicContact NZ-OE1 3.25Å; K91-E95 WeakPolarHBondContact O-CB 3.24Å; K91-E95 WeakPolarHBondContact O-CG 3.45Å; K91-E95 PolarHBondContact O-N 3.37Å; D92-E95 PolarHBondContact O-N 2.78Å; E95-D98 PolarHBondContact O-N 3.46Å; E95-N99 WeakPolarHBondContact O-CB 3.47Å; E95-N99 VanDerWaalsContact O-CG 3.24Å; E95-N99 PolarHBondContact O-N 2.77Å; E95-N99 PolarHBondContact O-ND2 3.25Å
96	A	82.4	Confident	84.3	Confident	49 Å²	49	98.6 Å²	98.6	41%	0.405	48%	0.475	S	S	.	.	H	α-helix	trans	-63.8	-47.6	173.9	0	0	0	0	0	112.1	D92 K93 D98 N99 E100	D92-A96 WeakPolarHBondContact O-CB 3.49Å; D92-A96 PolarHBondContact O-N 2.86Å; K93-A96 PolarHBondContact O-N 3.01Å; A96-D98 VanDerWaalsContact C-N 3.34Å; A96-D98 PolarHBondContact O-N 3.32Å; A96-N99 PolarHBondContact O-N 3.43Å; A96-E100 PolarHBondContact O-N 2.91Å
97	E	85.1	Confident	84.6	Confident	108 Å²	108	98 Å²	98	51%	0.505	47%	0.471	S	S	.	.	H	α-helix	trans	-61.5	-40.9	176.3	-74.4	175.7	-176.3	0	0	112	K93 K94 R101	K93-E97 WeakPolarHBondContact CE-OE1 3.47Å; K93-E97 WeakPolarHBondContact O-CB 3.41Å; K93-E97 WeakPolarHBondContact O-CG 3.31Å; K93-E97 PolarHBondContact O-N 2.91Å; K94-E97 PolarHBondContact O-N 3.29Å; E97-R101 WeakPolarHBondContact O-CB 3.29Å; E97-R101 PolarHBondContact O-N 2.94Å
98	D	82.3	Confident	85	Confident	57 Å²	57	99.1 Å²	99.1	31%	0.305	48%	0.477	S	S	.	.	H	α-helix	trans	-67.3	-37.2	176.7	-78.6	-25.4	0	0	0	111.7	K94 E95 A96 R101 R102	K94-D98 VanDerWaalsContact O-CB 3.31Å; K94-D98 WeakPolarHBondContact O-CB 3.33Å; K94-D98 PolarHBondContact O-N 3.18Å; E95-D98 PolarHBondContact O-N 3.46Å; A96-D98 VanDerWaalsContact C-N 3.34Å; A96-D98 PolarHBondContact O-N 3.32Å; D98-R101 IonicContact OD1-CZ 2.7Å; D98-R101 VanDerWaalsContact OD1-CZ 3.24Å; D98-R101 IonicContact OD1-NH1 3.49Å; D98-R101 PolarHBondContact OD1-NH1 3.08Å; D98-R101 IonicContact OD1-NH2 2.8Å; D98-R101 PolarHBondContact OD1-NH2 3.03Å; D98-R102 WeakPolarHBondContact O-CB 3.35Å; D98-R102 PolarHBondContact O-N 3.39Å
99	N	82.6	Confident	85.4	Confident	94 Å²	94	96.2 Å²	96.2	50%	0.503	46%	0.462	S	S	.	.	H	α-helix	trans	-67.2	-47.2	174.7	-79.3	-20.6	0	0	0	112.1	E95 A96 R101 R102 E103	E95-N99 WeakPolarHBondContact O-CB 3.47Å; E95-N99 VanDerWaalsContact O-CG 3.24Å; E95-N99 PolarHBondContact O-N 2.77Å; E95-N99 PolarHBondContact O-ND2 3.25Å; A96-N99 PolarHBondContact O-N 3.43Å; N99-R101 VanDerWaalsContact C-N 3.29Å; N99-R101 PolarHBondContact O-N 3.38Å; N99-R102 WeakPolarHBondContact O-CB 3.34Å; N99-R102 PolarHBondContact O-N 2.96Å; N99-R102 VanDerWaalsContact O-N 3.08Å; N99-E103 PolarHBondContact O-N 3.37Å
100	E	86.8	Confident	85.8	Confident	112 Å²	112	98.1 Å²	98.1	52%	0.523	47%	0.466	S	S	.	.	H	α-helix	trans	-58.9	-42.6	174.8	-77.6	-171.7	-173	0	0	111.5	A96 R102 E103 K104	A96-E100 PolarHBondContact O-N 2.91Å; E100-R102 VanDerWaalsContact C-N 3.29Å; E100-R102 PolarHBondContact O-N 3.05Å; E100-E103 PolarHBondContact O-N 3.12Å; E100-K104 WeakPolarHBondContact O-CG 3.43Å; E100-K104 PolarHBondContact O-N 3.46Å
101	R	85.6	Confident	86.2	Confident	144 Å²	144	103.4 Å²	103.4	54%	0.543	48%	0.478	S	S	.	.	H	α-helix	trans	-62.5	-39.6	176	-173	177.8	68	-146.1	-7.7	111.2	E97 D98 N99 N105	E97-R101 WeakPolarHBondContact O-CB 3.29Å; E97-R101 PolarHBondContact O-N 2.94Å; D98-R101 IonicContact OD1-CZ 2.7Å; D98-R101 VanDerWaalsContact OD1-CZ 3.24Å; D98-R101 IonicContact OD1-NH1 3.49Å; D98-R101 PolarHBondContact OD1-NH1 3.08Å; D98-R101 IonicContact OD1-NH2 2.8Å; D98-R101 PolarHBondContact OD1-NH2 3.03Å; N99-R101 VanDerWaalsContact C-N 3.29Å; N99-R101 PolarHBondContact O-N 3.38Å; R101-N105 WeakPolarHBondContact O-CB 3.46Å; R101-N105 PolarHBondContact O-N 3.07Å; R101-N105 PolarHBondContact O-ND2 2.87Å; R101-N105 PolarHBondContact O-OD1 3.5Å
102	R	84.8	Confident	86.7	Confident	140 Å²	140	100.1 Å²	100.1	53%	0.528	47%	0.466	S	S	.	.	H	α-helix	trans	-66.1	-43.1	177.6	-173.9	179	-178.8	-178.9	-0.6	111.7	D98 N99 E100 N105 L106	D98-R102 WeakPolarHBondContact O-CB 3.35Å; D98-R102 PolarHBondContact O-N 3.39Å; N99-R102 WeakPolarHBondContact O-CB 3.34Å; N99-R102 PolarHBondContact O-N 2.96Å; N99-R102 VanDerWaalsContact O-N 3.08Å; E100-R102 VanDerWaalsContact C-N 3.29Å; E100-R102 PolarHBondContact O-N 3.05Å; R102-N105 PolarHBondContact O-N 3.2Å; R102-L106 HydrophobicContact CG-CD1 4.24Å; R102-L106 VanDerWaalsContact O-CG 3.31Å; R102-L106 WeakPolarHBondContact O-CG 3.38Å; R102-L106 PolarHBondContact O-N 3.22Å
103	E	87.5	Confident	87.1	Confident	129 Å²	129	103.6 Å²	103.6	60%	0.603	48%	0.479	S	S	*	.	H	α-helix	trans	-61.3	-48.2	176.5	-75.3	-177.2	166.5	0	0	111.6	N99 E100 N105 L106 E107	N99-E103 PolarHBondContact O-N 3.37Å; E100-E103 PolarHBondContact O-N 3.12Å; E103-N105 VanDerWaalsContact C-N 3.33Å; E103-N105 PolarHBondContact O-N 3.35Å; E103-L106 WeakPolarHBondContact O-CB 3.41Å; E103-L106 PolarHBondContact O-N 3.36Å; E103-L106 VanDerWaalsContact O-N 3.08Å; E103-E107 PolarHBondContact O-N 2.67Å
104	K	88.8	Confident	87.5	Confident	124 Å²	124	99 Å²	99	54%	0.539	46%	0.46	S	S	.	.	H	α-helix	trans	-57	-46.3	175.3	-72.7	172.4	-177.5	164.7	0	111.9	E100 L106 E107 E108	E100-K104 WeakPolarHBondContact O-CG 3.43Å; E100-K104 PolarHBondContact O-N 3.46Å; K104-L106 VanDerWaalsContact C-N 3.3Å; K104-L106 PolarHBondContact O-N 3.05Å; K104-E107 PolarHBondContact O-N 3.38Å; K104-E108 PolarHBondContact O-N 3.14Å
105	N	87.3	Confident	87.9	Confident	66 Å²	66	97.8 Å²	97.8	35%	0.353	46%	0.464	S	S	.	.	H	α-helix	trans	-61.5	-38.1	176.7	-69.3	-20	0	0	0	112.2	R101 R102 E103 A109 L182	R101-N105 WeakPolarHBondContact O-CB 3.46Å; R101-N105 PolarHBondContact O-N 3.07Å; R101-N105 PolarHBondContact O-ND2 2.87Å; R101-N105 PolarHBondContact O-OD1 3.5Å; R102-N105 PolarHBondContact O-N 3.2Å; E103-N105 VanDerWaalsContact C-N 3.33Å; E103-N105 PolarHBondContact O-N 3.35Å; N105-A109 VanDerWaalsContact O-CB 3.27Å; N105-A109 WeakPolarHBondContact O-CB 3.45Å; N105-A109 PolarHBondContact O-N 3.36Å; N105-L182 HydrophobicContact CB-CD1 4.46Å
106	L	89.7	Confident	88.5	Confident	29 Å²	29	95.7 Å²	95.7	15%	0.152	46%	0.455	C	S	.	.	H	α-helix	trans	-68.9	-37.8	177.4	-74.6	171	0	0	0	112	R102 E103 K104 A109 K110 Y179 L182 L183	R102-L106 HydrophobicContact CG-CD1 4.24Å; R102-L106 VanDerWaalsContact O-CG 3.31Å; R102-L106 WeakPolarHBondContact O-CG 3.38Å; R102-L106 PolarHBondContact O-N 3.22Å; E103-L106 WeakPolarHBondContact O-CB 3.41Å; E103-L106 PolarHBondContact O-N 3.36Å; E103-L106 VanDerWaalsContact O-N 3.08Å; K104-L106 VanDerWaalsContact C-N 3.3Å; K104-L106 PolarHBondContact O-N 3.05Å; L106-A109 PolarHBondContact O-N 2.84Å; L106-K110 WeakPolarHBondContact O-CG 3.21Å; L106-K110 PolarHBondContact O-N 2.84Å; L106-K110 VanDerWaalsContact O-N 3.13Å; L106-Y179 HydrophobicContact CB-CD2 4.35Å; L106-Y179 HydrophobicContact CB-CE2 4.14Å; L106-Y179 HydrophobicContact CD2-CD2 3.97Å; L106-Y179 HydrophobicContact CD2-CE2 3.9Å; L106-Y179 HydrophobicContact CG-CE2 4.49Å; L106-L182 HydrophobicContact CD2-CB 3.89Å; L106-L182 HydrophobicContact CD2-CD1 4.23Å; L106-L183 HydrophobicContact CD1-CD2 4.37Å; L106-L183 HydrophobicContact CD2-CD2 3.88Å; L106-L183 HydrophobicContact CD2-CG 4.12Å
107	E	89.4	Confident	89	Confident	127 Å²	127	96.6 Å²	96.6	59%	0.593	45%	0.454	S	S	*	.	H	α-helix	trans	-65.7	-40.8	174.2	-71.7	-168.8	156.8	0	0	112.5	E103 K104 A109 K110	E103-E107 PolarHBondContact O-N 2.67Å; K104-E107 PolarHBondContact O-N 3.38Å; E107-A109 VanDerWaalsContact C-N 3.34Å; E107-K110 PolarHBondContact O-N 2.87Å
108	E	89.6	Confident	89.2	Confident	123 Å²	123	97 Å²	97	58%	0.575	47%	0.466	S	S	*	.	H	α-helix	trans	-63.5	-41.4	172.9	-71.7	-178.6	175.4	0	0	111.5	K104 K110 K111	K104-E108 PolarHBondContact O-N 3.14Å; E108-K110 VanDerWaalsContact C-N 3.27Å; E108-K110 PolarHBondContact O-N 2.98Å; E108-K111 WeakPolarHBondContact O-CB 3.34Å; E108-K111 PolarHBondContact O-N 3.38Å
109	A	90.3	Very high	89.7	Confident	3 Å²	3	101.1 Å²	101.1	3%	0.025	49%	0.488	C	S	.	.	H	α-helix	trans	-65.8	-25.1	179.2	0	0	0	0	0	114.1	N105 L106 E107 K111 I112 Q177 Y179 L182	N105-A109 VanDerWaalsContact O-CB 3.27Å; N105-A109 WeakPolarHBondContact O-CB 3.45Å; N105-A109 PolarHBondContact O-N 3.36Å; L106-A109 PolarHBondContact O-N 2.84Å; E107-A109 VanDerWaalsContact C-N 3.34Å; A109-K111 PolarHBondContact O-N 3.16Å; A109-I112 PolarHBondContact O-N 2.81Å; A109-I112 VanDerWaalsContact O-N 3.16Å; A109-Q177 WeakPolarHBondContact CB-O 3.15Å; A109-Y179 PolarHBondContact O-N 2.93Å; A109-L182 HydrophobicContact CB-CD1 3.49Å; A109-L182 VanDerWaalsContact CB-CD1 3.49Å; A109-L182 HydrophobicContact CB-CG 4.17Å
110	K	91.2	Very high	90.2	Very high	128 Å²	128	99.7 Å²	99.7	56%	0.557	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.7	172.2	-73.6	174.3	-176.3	174.7	0	112.8	L106 E107 E108 I112 Y179	L106-K110 WeakPolarHBondContact O-CG 3.21Å; L106-K110 PolarHBondContact O-N 2.84Å; L106-K110 VanDerWaalsContact O-N 3.13Å; E107-K110 PolarHBondContact O-N 2.87Å; E108-K110 VanDerWaalsContact C-N 3.27Å; E108-K110 PolarHBondContact O-N 2.98Å; K110-I112 VanDerWaalsContact C-N 3.3Å; K110-Y179 HydrophobicContact CD-CD2 4.49Å; K110-Y179 HydrophobicContact CG-CD2 3.66Å; K110-Y179 HydrophobicContact CG-CE2 4.21Å; K110-Y179 HydrophobicContact CG-CG 4.04Å
111	K	91.7	Very high	90.5	Very high	171 Å²	171	98.8 Å²	98.8	74%	0.743	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.9	177.5	-55.9	173.3	-175.8	170.2	0	112.5	E108 A109	E108-K111 WeakPolarHBondContact O-CB 3.34Å; E108-K111 PolarHBondContact O-N 3.38Å; A109-K111 PolarHBondContact O-N 3.16Å
112	I	92.4	Very high	90.9	Very high	50 Å²	50	99.7 Å²	99.7	26%	0.256	49%	0.494	S	S	.	.			trans	-94.5	100.5	-179.6	-57.9	175.9	0	0	0	108.2	A109 K110 K174 Q177 C178	A109-I112 PolarHBondContact O-N 2.81Å; A109-I112 VanDerWaalsContact O-N 3.16Å; K110-I112 VanDerWaalsContact C-N 3.3Å; I112-K174 HydrophobicContact CG2-CB 3.93Å; I112-K174 HydrophobicContact CG2-CG 4.13Å; I112-Q177 HydrophobicContact CD1-CB 3.67Å; I112-C178 HydrophobicContact CB-CB 4.43Å; I112-C178 HydrophobicContact CG2-CB 4.16Å
113	E	90.4	Very high	91.4	Very high	161 Å²	161	93.5 Å²	93.5	75%	0.752	47%	0.472	S	S	*	.			trans	-90.3	136.6	173	-67.7	-175.6	169.3	0	0	110.9
114	I	94.4	Very high	91.9	Very high	40 Å²	40	92.4 Å²	92.4	21%	0.205	47%	0.467	C	S	.	.			trans	-108.5	137.1	170.4	60.7	171.8	0	0	0	107.7	K174 L175 C178 F215 W216	I114-K174 HydrophobicContact CG2-CB 4.25Å; I114-L175 HydrophobicContact CB-CD2 4.24Å; I114-L175 HydrophobicContact CD1-CD2 4.39Å; I114-L175 HydrophobicContact CG2-CD2 3.91Å; I114-C178 HydrophobicContact CG2-CB 4.25Å; I114-F215 HydrophobicContact CD1-CD2 4.31Å; I114-F215 HydrophobicContact CD1-CE2 4.32Å; I114-F215 HydrophobicContact CG1-CD2 4.29Å; I114-F215 HydrophobicContact CG1-CE2 4.12Å; I114-W216 HydrophobicContact CD1-CG 4.41Å; I114-W216 WeakPolarHBondContact CD1-O 3.3Å
115	V	92.9	Very high	92.3	Very high	106 Å²	106	90.5 Å²	90.5	64%	0.642	47%	0.465	S	S	*	.			trans	-128.9	136.9	-175.7	-175.4	0	0	0	0	108	D117	V115-D117 PolarHBondContact O-N 3.48Å
116	N	93.3	Very high	92.8	Very high	48 Å²	48	88 Å²	88	26%	0.257	45%	0.452	S	S	.	.			trans	-69.2	110	169.6	-175	8.8	0	0	0	108.3	P118 R138 F215	N116-P118 WeakPolarHBondContact O-CD 3.36Å; N116-R138 PolarHBondContact OD1-NH2 3.42Å; N116-F215 HydrophobicContact CB-CB 4.45Å; N116-F215 HydrophobicContact CB-CD1 3.75Å; N116-F215 HydrophobicContact CB-CD2 4.13Å; N116-F215 HydrophobicContact CB-CE1 3.97Å; N116-F215 HydrophobicContact CB-CE2 4.32Å; N116-F215 HydrophobicContact CB-CG 3.84Å; N116-F215 HydrophobicContact CB-CZ 4.25Å
117	D	92	Very high	93.2	Very high	68 Å²	68	91.5 Å²	91.5	36%	0.364	47%	0.467	S	S	.	.			trans	-64.8	116.7	-175.2	-176.1	-9.4	0	0	0	110.6	V115 N119 L120	V115-D117 PolarHBondContact O-N 3.48Å; D117-N119 PolarHBondContact O-N 3.27Å; D117-N119 VanDerWaalsContact O-N 3.16Å; D117-N119 WeakPolarHBondContact OD1-CB 3.19Å; D117-N119 PolarHBondContact OD1-N 3.31Å; D117-N119 PolarHBondContact OD1-ND2 3.16Å; D117-L120 HydrophobicContact CB-CD1 3.96Å; D117-L120 HydrophobicContact CB-CG 3.98Å; D117-L120 PolarHBondContact O-N 3.06Å; D117-L120 VanDerWaalsContact O-N 3.14Å
118	P	90	Very high	93.6	Very high	118 Å²	118	85.8 Å²	85.8	77%	0.766	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.5	-178.1	29.8	-36.8	0	0	0	113.6	N116	N116-P118 WeakPolarHBondContact O-CD 3.36Å
119	N	93.2	Very high	93.9	Very high	143 Å²	143	85.3 Å²	85.3	77%	0.765	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-14.7	175.8	-56.7	-67.5	0	0	0	113	D117	D117-N119 PolarHBondContact O-N 3.27Å; D117-N119 VanDerWaalsContact O-N 3.16Å; D117-N119 WeakPolarHBondContact OD1-CB 3.19Å; D117-N119 PolarHBondContact OD1-N 3.31Å; D117-N119 PolarHBondContact OD1-ND2 3.16Å
120	L	92.9	Very high	94.2	Very high	64 Å²	64	90.3 Å²	90.3	34%	0.335	46%	0.462	S	S	.	.	S	Bend	trans	-77.9	149.9	175.3	-67	177.5	0	0	0	110.3	D117 E122 D214	D117-L120 HydrophobicContact CB-CD1 3.96Å; D117-L120 HydrophobicContact CB-CG 3.98Å; D117-L120 PolarHBondContact O-N 3.06Å; D117-L120 VanDerWaalsContact O-N 3.14Å; L120-E122 PolarHBondContact O-N 3.04Å; L120-D214 HydrophobicContact CD1-CB 4.11Å
121	P	92.3	Very high	94.4	Very high	92 Å²	92	84.2 Å²	84.2	60%	0.597	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-54.4	140.5	174.5	-24.2	33.6	0	0	0	111.5	R138	P121-R138 WeakPolarHBondContact O-CD 3.24Å; P121-R138 PolarHBondContact O-NH1 2.64Å
122	E	94	Very high	94.6	Very high	163 Å²	163	81.9 Å²	81.9	76%	0.762	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-62.5	124.3	174	-172.7	62	-160.2	0	0	108.8	L120	L120-E122 PolarHBondContact O-N 3.04Å
123	P	96.4	Very high	94.7	Very high	10 Å²	10	83.7 Å²	83.7	7%	0.065	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-80.1	140.1	-173.2	18.3	-11	0	0	0	111.8	R138 V139 K140 Y193	P123-R138 WeakPolarHBondContact CA-O 3.49Å; P123-R138 HydrophobicContact CB-CG 4.31Å; P123-V139 VanDerWaalsContact CB-C 3.47Å; P123-K140 HydrophobicContact CB-CB 4.13Å; P123-K140 HydrophobicContact CG-CB 4.32Å; P123-Y193 HydrophobicContact CG-CD1 3.49Å; P123-Y193 VanDerWaalsContact CG-CD1 3.49Å; P123-Y193 HydrophobicContact CG-CE1 3.99Å
124	E	96.8	Very high	95	Very high	106 Å²	106	78 Å²	78	50%	0.495	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	140.1	166.3	-170	-177.7	169.7	0	0	110.1	V126 K134 V139 K140	E124-V126 HydrophobicContact CB-CG2 4.04Å; E124-V126 HydrophobicContact CG-CG2 3.89Å; E124-K134 WeakPolarHBondContact OE2-CE 3.5Å; E124-K134 IonicContact OE2-NZ 3.43Å; E124-K134 PolarHBondContact OE2-NZ 3.03Å; E124-V139 WeakPolarHBondContact O-CA 3.36Å; E124-K140 PolarHBondContact O-N 3.45Å
125	T	98.3	Very high	95.1	Very high	84 Å²	84	80.7 Å²	80.7	52%	0.515	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	116.9	172.2	-59.8	0	0	0	0	110.1	K140 F142	T125-K140 VanDerWaalsContact CA-O 3.32Å; T125-K140 WeakPolarHBondContact CA-O 3.37Å; T125-F142 HydrophobicContact CG2-CD2 3.88Å; T125-F142 HydrophobicContact CG2-CE2 3.9Å
126	V	97.9	Very high	95.3	Very high	13 Å²	13	78.5 Å²	78.5	8%	0.079	43%	0.428	C	S	.	.			trans	-130.2	144.9	-170.6	-172.2	0	0	0	0	111.1	E124 M130 L131 K134 V139 K140	E124-V126 HydrophobicContact CB-CG2 4.04Å; E124-V126 HydrophobicContact CG-CG2 3.89Å; V126-M130 HydrophobicContact CG1-CB 3.6Å; V126-L131 HydrophobicContact CB-CD2 3.96Å; V126-L131 HydrophobicContact CG1-CD2 3.81Å; V126-K134 HydrophobicContact CG1-CG 4.43Å; V126-V139 HydrophobicContact CG2-CB 4.49Å; V126-V139 HydrophobicContact CG2-CG1 4.21Å; V126-K140 PolarHBondContact N-O 2.75Å
127	K	98.1	Very high	95.5	Very high	103 Å²	103	80.2 Å²	80.2	45%	0.448	44%	0.435	S	S	.	.			trans	-81.7	148	172.4	-71.2	-66.7	-175.6	179.9	0	111.3	H129 M130 D162 T164	K127-H129 VanDerWaalsContact C-N 3.29Å; K127-H129 WeakPolarHBondContact CB-ND1 3.48Å; K127-H129 PolarHBondContact O-N 2.78Å; K127-H129 VanDerWaalsContact O-N 3.13Å; K127-M130 PolarHBondContact O-N 3.31Å; K127-D162 WeakPolarHBondContact CA-OD2 3.34Å; K127-D162 WeakPolarHBondContact CD-OD2 3.34Å; K127-T164 HydrophobicContact CB-CG2 4.25Å; K127-T164 HydrophobicContact CD-CG2 4.24Å; K127-T164 HydrophobicContact CG-CG2 4.44Å
128	I	97.7	Very high	95.7	Very high	8 Å²	8	77.9 Å²	77.9	4%	0.041	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-53	-43.8	-173	-68	173.8	0	0	0	112.7	M130 L131 V141 D162 T164 G165 L167	I128-M130 PolarHBondContact O-N 2.77Å; I128-L131 HydrophobicContact CB-CD1 4.39Å; I128-L131 HydrophobicContact CG1-CD1 4.36Å; I128-L131 HydrophobicContact CG2-CD1 4.45Å; I128-L131 WeakPolarHBondContact O-CB 3.44Å; I128-L131 WeakPolarHBondContact O-CG 3.34Å; I128-L131 PolarHBondContact O-N 2.93Å; I128-L131 VanDerWaalsContact O-N 3.15Å; I128-V141 HydrophobicContact CG1-CG1 3.88Å; I128-D162 HydrophobicContact CD1-CB 3.93Å; I128-D162 HydrophobicContact CG1-CB 4.25Å; I128-D162 PolarHBondContact N-OD2 3.35Å; I128-T164 PolarHBondContact N-OG1 3.08Å; I128-G165 WeakPolarHBondContact CD1-O 3.44Å; I128-L167 HydrophobicContact CD1-CB 3.86Å; I128-L167 HydrophobicContact CG1-CB 4.04Å; I128-L167 HydrophobicContact CG2-CB 4.13Å
129	H	95	Very high	96.1	Very high	113 Å²	113	72.3 Å²	72.3	52%	0.523	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-63.1	-13.4	-179.7	71.6	-20.2	0	0	0	115.5	K127 T164	K127-H129 VanDerWaalsContact C-N 3.29Å; K127-H129 WeakPolarHBondContact CB-ND1 3.48Å; K127-H129 PolarHBondContact O-N 2.78Å; K127-H129 VanDerWaalsContact O-N 3.13Å; H129-T164 PolarHBondContact N-OG1 3.18Å; H129-T164 VanDerWaalsContact N-OG1 3.13Å
130	M	96.5	Very high	96.4	Very high	108 Å²	108	67.2 Å²	67.2	53%	0.532	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-99.4	-3.2	-179.4	-75.1	163.8	-175.6	0	0	112.5	V126 K127 I128 E132 A133	V126-M130 HydrophobicContact CG1-CB 3.6Å; K127-M130 PolarHBondContact O-N 3.31Å; I128-M130 PolarHBondContact O-N 2.77Å; M130-E132 VanDerWaalsContact C-N 3.3Å; M130-E132 PolarHBondContact O-N 2.93Å; M130-A133 PolarHBondContact O-N 2.83Å
131	L	96.9	Very high	96.7	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-72.9	-19	-170.3	-67.4	177.7	0	0	0	114.4	V126 I128 A133 K134 R135 V139 V141 L167 I196 H209	V126-L131 HydrophobicContact CB-CD2 3.96Å; V126-L131 HydrophobicContact CG1-CD2 3.81Å; I128-L131 HydrophobicContact CB-CD1 4.39Å; I128-L131 HydrophobicContact CG1-CD1 4.36Å; I128-L131 HydrophobicContact CG2-CD1 4.45Å; I128-L131 WeakPolarHBondContact O-CB 3.44Å; I128-L131 WeakPolarHBondContact O-CG 3.34Å; I128-L131 PolarHBondContact O-N 2.93Å; I128-L131 VanDerWaalsContact O-N 3.15Å; L131-A133 VanDerWaalsContact C-N 3.28Å; L131-A133 PolarHBondContact O-N 3.29Å; L131-K134 CarbonylContact O-C 3.57Å; L131-K134 WeakPolarHBondContact O-CA 3.44Å; L131-K134 PolarHBondContact O-N 2.9Å; L131-R135 PolarHBondContact O-N 2.9Å; L131-V139 HydrophobicContact CD2-CG1 4.47Å; L131-V139 HydrophobicContact CD2-CG2 4.04Å; L131-V141 HydrophobicContact CD1-CG2 4.24Å; L131-V141 HydrophobicContact CD2-CG2 4.19Å; L131-L167 HydrophobicContact CD1-CD1 3.85Å; L131-L167 HydrophobicContact CD1-CD2 3.55Å; L131-L167 HydrophobicContact CD1-CG 4.21Å; L131-I196 HydrophobicContact CD1-CD1 4.03Å; L131-I196 HydrophobicContact CD2-CD1 4.08Å; L131-I196 HydrophobicContact CD2-CG1 4.11Å; L131-I196 HydrophobicContact CG-CD1 4.46Å; L131-H209 VanDerWaalsContact CB-NE2 3.29Å; L131-H209 WeakPolarHBondContact CB-NE2 3.48Å
132	E	94.8	Very high	97	Very high	121 Å²	121	64 Å²	64	57%	0.565	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-60.1	-40.2	176.9	175.4	156.9	-132.5	0	0	112.1	M130 K134 R135	M130-E132 VanDerWaalsContact C-N 3.3Å; M130-E132 PolarHBondContact O-N 2.93Å; E132-K134 PolarHBondContact O-N 3.31Å; E132-R135 WeakPolarHBondContact O-CG 3.36Å; E132-R135 IonicContact OE1-CZ 3.45Å; E132-R135 IonicContact OE1-NH1 3.29Å; E132-R135 PolarHBondContact OE1-NH1 2.69Å; E132-R135 IonicContact OE1-NH2 2.78Å; E132-R135 PolarHBondContact OE1-NH2 3.31Å
133	A	96	Very high	97.2	Very high	89 Å²	89	56.3 Å²	56.3	74%	0.736	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-73.8	-6.9	176.5	0	0	0	0	0	113.5	M130 L131	M130-A133 PolarHBondContact O-N 2.83Å; L131-A133 VanDerWaalsContact C-N 3.28Å; L131-A133 PolarHBondContact O-N 3.29Å
134	K	96.7	Very high	97.3	Very high	42 Å²	42	60.5 Å²	60.5	18%	0.183	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-111.9	15.5	-174.7	-63	-70.1	179.9	172.2	0	113.1	E124 V126 L131 E132 G136 E137 V139	E124-K134 WeakPolarHBondContact OE2-CE 3.5Å; E124-K134 IonicContact OE2-NZ 3.43Å; E124-K134 PolarHBondContact OE2-NZ 3.03Å; V126-K134 HydrophobicContact CG1-CG 4.43Å; L131-K134 CarbonylContact O-C 3.57Å; L131-K134 WeakPolarHBondContact O-CA 3.44Å; L131-K134 PolarHBondContact O-N 2.9Å; E132-K134 PolarHBondContact O-N 3.31Å; K134-G136 PolarHBondContact O-N 2.94Å; K134-E137 WeakPolarHBondContact CD-OE2 3.45Å; K134-E137 IonicContact NZ-OE2 2.97Å; K134-E137 PolarHBondContact NZ-OE2 3.32Å; K134-E137 WeakPolarHBondContact O-CB 3.29Å; K134-E137 PolarHBondContact O-N 2.99Å; K134-V139 HydrophobicContact CB-CG1 4.13Å
135	R	95.9	Very high	97.3	Very high	96 Å²	96	55.5 Å²	55.5	36%	0.362	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	129.2	176.2	-71.7	172.4	179.8	158.8	10.8	110.3	L131 E132 E137 I196 G207 H209	L131-R135 PolarHBondContact O-N 2.9Å; E132-R135 WeakPolarHBondContact O-CG 3.36Å; E132-R135 IonicContact OE1-CZ 3.45Å; E132-R135 IonicContact OE1-NH1 3.29Å; E132-R135 PolarHBondContact OE1-NH1 2.69Å; E132-R135 IonicContact OE1-NH2 2.78Å; E132-R135 PolarHBondContact OE1-NH2 3.31Å; R135-E137 VanDerWaalsContact C-N 3.32Å; R135-I196 HydrophobicContact CG-CG2 3.96Å; R135-G207 PolarHBondContact NH2-O 3.3Å; R135-H209 HydrophobicContact CG-CB 4.46Å
136	G	96.1	Very high	97.3	Very high	59 Å²	59	52.8 Å²	52.8	61%	0.608	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	-9.6	-175.2	0	0	0	0	0	114.4	K134 I196	K134-G136 PolarHBondContact O-N 2.94Å; G136-I196 PolarHBondContact N-O 3.13Å
137	E	97.3	Very high	97.1	Very high	84 Å²	84	58.9 Å²	58.9	39%	0.393	29%	0.289	S	S	.	.	S	Bend	trans	-94.1	150.5	177.9	-64.3	175.8	-140.8	0	0	111.4	K134 R135 T195 I196	K134-E137 WeakPolarHBondContact CD-OE2 3.45Å; K134-E137 IonicContact NZ-OE2 2.97Å; K134-E137 PolarHBondContact NZ-OE2 3.32Å; K134-E137 WeakPolarHBondContact O-CB 3.29Å; K134-E137 PolarHBondContact O-N 2.99Å; R135-E137 VanDerWaalsContact C-N 3.32Å; E137-T195 WeakPolarHBondContact O-CA 3.42Å; E137-I196 PolarHBondContact O-N 3.06Å; E137-I196 VanDerWaalsContact O-N 3.09Å
138	R	97.8	Very high	97	Very high	20 Å²	20	55.8 Å²	55.8	8%	0.075	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	125.1	169.8	-169.9	-179.4	177	-123.4	1.9	109.4	N116 P121 P123 G194 D214	N116-R138 PolarHBondContact OD1-NH2 3.42Å; P121-R138 WeakPolarHBondContact O-CD 3.24Å; P121-R138 PolarHBondContact O-NH1 2.64Å; P123-R138 WeakPolarHBondContact CA-O 3.49Å; P123-R138 HydrophobicContact CB-CG 4.31Å; R138-G194 CarbonylContact C-O 3.42Å; R138-G194 WeakPolarHBondContact CA-O 3.32Å; R138-D214 IonicContact CZ-OD1 3.41Å; R138-D214 IonicContact CZ-OD2 3.84Å; R138-D214 IonicContact NE-OD1 3.22Å; R138-D214 PolarHBondContact NE-OD1 2.89Å; R138-D214 IonicContact NE-OD2 2.88Å; R138-D214 PolarHBondContact NE-OD2 3.05Å; R138-D214 IonicContact NH2-OD1 2.72Å; R138-D214 PolarHBondContact NH2-OD1 3.38Å; R138-D214 IonicContact NH2-OD2 3.88Å
139	V	98.4	Very high	96.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	162.7	-174.7	-60.4	0	0	0	0	111.4	P123 E124 V126 L131 K134 V141 Y193 G194 I196 L211	P123-V139 VanDerWaalsContact CB-C 3.47Å; E124-V139 WeakPolarHBondContact O-CA 3.36Å; V126-V139 HydrophobicContact CG2-CB 4.49Å; V126-V139 HydrophobicContact CG2-CG1 4.21Å; L131-V139 HydrophobicContact CD2-CG1 4.47Å; L131-V139 HydrophobicContact CD2-CG2 4.04Å; K134-V139 HydrophobicContact CB-CG1 4.13Å; V139-V141 HydrophobicContact CG2-CG2 3.91Å; V139-Y193 WeakPolarHBondContact O-CA 3.4Å; V139-G194 PolarHBondContact N-O 2.88Å; V139-G194 PolarHBondContact O-N 2.96Å; V139-I196 HydrophobicContact CG1-CG1 4.38Å; V139-I196 HydrophobicContact CG2-CD1 3.68Å; V139-I196 HydrophobicContact CG2-CG1 3.62Å; V139-L211 HydrophobicContact CG2-CD1 4.05Å
140	K	98.4	Very high	96.9	Very high	37 Å²	37	63 Å²	63	16%	0.161	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.4	170.5	179.5	-178.6	-178.3	170.3	0	109.3	P123 E124 T125 V126 F142 L192 Y193 E217	P123-K140 HydrophobicContact CB-CB 4.13Å; P123-K140 HydrophobicContact CG-CB 4.32Å; E124-K140 PolarHBondContact O-N 3.45Å; T125-K140 VanDerWaalsContact CA-O 3.32Å; T125-K140 WeakPolarHBondContact CA-O 3.37Å; V126-K140 PolarHBondContact N-O 2.75Å; K140-F142 HydrophobicContact CD-CE2 4.2Å; K140-F142 HydrophobicContact CD-CZ 4.4Å; K140-L192 CarbonylContact C-O 3.54Å; K140-L192 WeakPolarHBondContact CA-O 3.19Å; K140-Y193 HydrophobicContact CB-CD1 4.15Å; K140-Y193 HydrophobicContact CB-CE1 4.19Å; K140-Y193 HydrophobicContact CD-CD1 4.33Å; K140-Y193 HydrophobicContact CD-CE1 3.55Å; K140-Y193 HydrophobicContact CD-CE2 4.24Å; K140-Y193 WeakPolarHBondContact CE-OH 3.36Å; K140-Y193 HydrophobicContact CG-CD1 4.17Å; K140-Y193 HydrophobicContact CG-CD2 4.46Å; K140-Y193 HydrophobicContact CG-CE1 3.86Å; K140-Y193 HydrophobicContact CG-CE2 4.18Å; K140-Y193 HydrophobicContact CG-CG 4.46Å; K140-Y193 PolarHBondContact NZ-OH 3.36Å; K140-E217 IonicContact NZ-OE2 3.59Å
141	V	98.6	Very high	96.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.9	-178.9	-169.9	0	0	0	0	109.8	I128 L131 V139 L160 L167 L192 L211	I128-V141 HydrophobicContact CG1-CG1 3.88Å; L131-V141 HydrophobicContact CD1-CG2 4.24Å; L131-V141 HydrophobicContact CD2-CG2 4.19Å; V139-V141 HydrophobicContact CG2-CG2 3.91Å; V141-L160 HydrophobicContact CB-CD2 4.21Å; V141-L160 HydrophobicContact CG1-CD2 3.67Å; V141-L167 HydrophobicContact CG1-CD2 4.31Å; V141-L167 HydrophobicContact CG2-CD2 4.22Å; V141-L192 PolarHBondContact N-O 3.08Å; V141-L192 PolarHBondContact O-N 3.38Å; V141-L211 HydrophobicContact CG2-CD1 3.97Å
142	F	98.8	Very high	96.4	Very high	87 Å²	87	66 Å²	66	38%	0.382	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	142.2	170	-70.4	-82.1	0	0	0	110.5	T125 K140 D162 V190 A191 V219	T125-F142 HydrophobicContact CG2-CD2 3.88Å; T125-F142 HydrophobicContact CG2-CE2 3.9Å; K140-F142 HydrophobicContact CD-CE2 4.2Å; K140-F142 HydrophobicContact CD-CZ 4.4Å; F142-D162 WeakPolarHBondContact O-CB 3.14Å; F142-V190 WeakPolarHBondContact CA-O 3.43Å; F142-A191 HydrophobicContact CD1-CB 3.61Å; F142-A191 HydrophobicContact CE1-CB 3.51Å; F142-A191 HydrophobicContact CG-CB 4.45Å; F142-A191 HydrophobicContact CZ-CB 4.28Å; F142-V219 HydrophobicContact CE1-CG2 4.49Å
143	G	98.4	Very high	96.1	Very high	3 Å²	3	68.3 Å²	68.3	3%	0.031	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	-176.4	171.8	0	0	0	0	0	114.6	R161 T189 V190	G143-R161 CarbonylContact C-O 3.53Å; G143-R161 VanDerWaalsContact CA-O 3.22Å; G143-R161 WeakPolarHBondContact CA-O 3.12Å; G143-T189 WeakPolarHBondContact O-CA 3.49Å; G143-V190 PolarHBondContact N-O 3.01Å; G143-V190 PolarHBondContact O-N 3.29Å
144	W	98.6	Very high	96	Very high	98 Å²	98	67.9 Å²	67.9	37%	0.371	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	137.5	173	-63.5	-88.3	0	0	0	110.1	H146 L160 R161 S188 T189	W144-H146 PolarHBondContact O-N 2.91Å; W144-L160 WeakPolarHBondContact O-CA 3.38Å; W144-R161 HydrophobicContact CB-CG 4.26Å; W144-R161 PolarHBondContact N-O 3.43Å; W144-R161 PolarHBondContact O-N 2.78Å; W144-S188 CarbonylContact C-O 3.57Å; W144-S188 WeakPolarHBondContact CA-O 3.39Å; W144-T189 VanDerWaalsContact CD1-OG1 3.32Å; W144-T189 PolarHBondContact NE1-OG1 2.99Å; W144-T189 VanDerWaalsContact NE1-OG1 3.16Å
145	V	98	Very high	96	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	97.9	173	176.8	0	0	0	0	108.7	L148 I158 L184 T186 E187 S188 V190	V145-L148 HydrophobicContact CG1-CB 3.86Å; V145-L148 HydrophobicContact CG1-CD1 4.11Å; V145-L148 HydrophobicContact CG1-CG 4.49Å; V145-I158 HydrophobicContact CB-CG2 4.44Å; V145-I158 HydrophobicContact CG1-CG2 4.1Å; V145-I158 HydrophobicContact CG2-CD1 4.43Å; V145-I158 HydrophobicContact CG2-CG2 4.1Å; V145-L184 HydrophobicContact CG2-CD1 4.23Å; V145-L184 HydrophobicContact CG2-CD2 4.31Å; V145-L184 HydrophobicContact CG2-CG 4.46Å; V145-T186 CarbonylContact O-C 3.46Å; V145-T186 WeakPolarHBondContact O-CA 3.38Å; V145-E187 PolarHBondContact O-N 2.98Å; V145-S188 PolarHBondContact N-O 2.82Å; V145-V190 HydrophobicContact CG2-CG1 4.09Å; V145-V190 HydrophobicContact CG2-CG2 4.04Å
146	H	96.6	Very high	96	Very high	28 Å²	28	64.1 Å²	64.1	13%	0.13	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-44.3	-179.2	-177.7	53.2	0	0	0	112	W144 V159 R161 F166	W144-H146 PolarHBondContact O-N 2.91Å; H146-V159 WeakPolarHBondContact CA-O 3.28Å; H146-V159 WeakPolarHBondContact CB-O 3.42Å; H146-V159 PolarHBondContact N-O 3.29Å; H146-R161 HydrophobicContact CB-CB 4.29Å; H146-R161 HydrophobicContact CB-CG 4.44Å; H146-R161 PolarHBondContact ND1-NH1 2.8Å; H146-F166 HydrophobicContact CB-CD1 4.34Å; H146-F166 HydrophobicContact CB-CE1 4.16Å; H146-F166 AromaticContact CD2-CD1 3.83Å; H146-F166 AromaticContact CD2-CE1 3.32Å; H146-F166 WeakPolarHBondContact CD2-CE1 3.35Å; H146-F166 AromaticContact CG-CE1 3.66Å; H146-F166 AromaticContact NE2-CE1 3.82Å
147	R	95.3	Very high	96	Very high	141 Å²	141	63.7 Å²	63.7	53%	0.532	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.3	171	-58	-176.5	-174.7	164	7.7	109.6	I158 V159 E251	R147-I158 WeakPolarHBondContact O-CA 3.36Å; R147-V159 HydrophobicContact CB-CB 3.95Å; R147-V159 HydrophobicContact CB-CG2 4.01Å; R147-V159 HydrophobicContact CG-CB 4.44Å; R147-V159 PolarHBondContact N-O 2.87Å; R147-V159 PolarHBondContact O-N 3.4Å; R147-E251 IonicContact NH2-OE2 3.83Å; R147-E251 PolarHBondContact NH2-OE2 3.46Å
148	L	95.6	Very high	96	Very high	38 Å²	38	59.7 Å²	59.7	20%	0.199	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	126.4	178.4	-172.5	155	0	0	0	109.2	V145 R150 M156 L184 T186	V145-L148 HydrophobicContact CG1-CB 3.86Å; V145-L148 HydrophobicContact CG1-CD1 4.11Å; V145-L148 HydrophobicContact CG1-CG 4.49Å; L148-R150 HydrophobicContact CD2-CG 3.96Å; L148-M156 HydrophobicContact CD1-SD 4.2Å; L148-M156 HydrophobicContact CD2-SD 4.45Å; L148-M156 HydrophobicContact CG-CG 4.46Å; L148-M156 HydrophobicContact CG-SD 4.4Å; L148-L184 HydrophobicContact CD1-CB 4.06Å; L148-L184 HydrophobicContact CD1-CD2 3.77Å; L148-L184 HydrophobicContact CD1-CG 3.68Å; L148-L184 WeakPolarHBondContact CD1-O 3.42Å; L148-T186 HydrophobicContact CB-CG2 4.05Å
149	R	95.3	Very high	96	Very high	165 Å²	165	60.2 Å²	60.2	62%	0.623	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	128.2	174.5	179.5	-179	172.7	-172.2	-1.8	110	M156 F157	R149-M156 WeakPolarHBondContact O-CA 3.48Å; R149-F157 HydrophobicContact CB-CB 4.45Å; R149-F157 PolarHBondContact N-O 3.35Å; R149-F157 PolarHBondContact O-N 3.45Å
150	R	93.9	Very high	96	Very high	107 Å²	107	60.2 Å²	60.2	40%	0.404	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	135.1	171.9	-65.3	-178.5	175.8	90.2	0.4	109.7	L148 M156 G181 L184	L148-R150 HydrophobicContact CD2-CG 3.96Å; R150-M156 HydrophobicContact CG-CG 4.18Å; R150-M156 HydrophobicContact CG-SD 4.33Å; R150-G181 PolarHBondContact NH2-O 2.85Å; R150-L184 PolarHBondContact NH2-O 3.21Å
151	Q	92.7	Very high	96	Very high	101 Å²	101	59.6 Å²	59.6	47%	0.472	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	102.5	175.2	-175.2	173.6	-2	0	0	109.1	L155 F157	Q151-L155 HydrophobicContact CB-CB 4.23Å; Q151-L155 PolarHBondContact N-O 3.01Å; Q151-L155 PolarHBondContact O-N 3.23Å; Q151-F157 HydrophobicContact CB-CE2 4.13Å
152	G	91.6	Very high	95.9	Very high	70 Å²	70	60.1 Å²	60.1	72%	0.722	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	-151.8	-169.4	0	0	0	0	0	111.7
153	K	87.7	Confident	95.8	Very high	170 Å²	170	58.7 Å²	58.7	74%	0.739	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-11.1	180	-65.7	-173.4	177.3	-173.6	0	114.1	Q177	K153-Q177 WeakPolarHBondContact O-CG 3.31Å
154	N	94.4	Very high	95.6	Very high	79 Å²	79	60.3 Å²	60.3	42%	0.422	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-3.7	-165.1	-59.9	-3.4	0	0	0	113.5	S172 D173 Q177	N154-S172 CarbonylContact O-C 3.53Å; N154-S172 VanDerWaalsContact O-CA 3.28Å; N154-S172 WeakPolarHBondContact O-CA 3.43Å; N154-D173 PolarHBondContact O-N 2.8Å; N154-Q177 PolarHBondContact OD1-NE2 3.14Å
155	L	95.8	Very high	95.3	Very high	59 Å²	59	56.4 Å²	56.4	31%	0.309	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	131.5	179.8	-75	169.1	0	0	0	110.9	Q151 F157 V170 S172	Q151-L155 HydrophobicContact CB-CB 4.23Å; Q151-L155 PolarHBondContact N-O 3.01Å; Q151-L155 PolarHBondContact O-N 3.23Å; L155-F157 HydrophobicContact CB-CE2 4.18Å; L155-V170 HydrophobicContact CD2-CG1 4.29Å; L155-S172 WeakPolarHBondContact CD2-OG 3.12Å
156	M	97.1	Very high	95.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.7	173.4	-176.4	167.5	67.3	0	0	109.3	L148 R149 R150 I158 L171 C176 L184	L148-M156 HydrophobicContact CD1-SD 4.2Å; L148-M156 HydrophobicContact CD2-SD 4.45Å; L148-M156 HydrophobicContact CG-CG 4.46Å; L148-M156 HydrophobicContact CG-SD 4.4Å; R149-M156 WeakPolarHBondContact O-CA 3.48Å; R150-M156 HydrophobicContact CG-CG 4.18Å; R150-M156 HydrophobicContact CG-SD 4.33Å; M156-I158 HydrophobicContact CE-CD1 4.24Å; M156-I158 HydrophobicContact CG-CG1 4.45Å; M156-L171 HydrophobicContact CB-CB 4.28Å; M156-L171 HydrophobicContact CE-CB 4.23Å; M156-L171 HydrophobicContact CE-CD2 3.62Å; M156-L171 HydrophobicContact CE-CG 4.45Å; M156-L171 PolarHBondContact N-O 3.2Å; M156-L171 PolarHBondContact O-N 3.09Å; M156-C176 HydrophobicContact CB-CB 3.61Å; M156-C176 HydrophobicContact CE-CB 4Å; M156-C176 HydrophobicContact SD-CB 4.4Å; M156-L184 HydrophobicContact CE-CD2 3.83Å; M156-L184 HydrophobicContact SD-CD2 4.21Å
157	F	96.7	Very high	95.2	Very high	50 Å²	50	57 Å²	57	22%	0.219	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128	176.2	-60.4	-87.4	0	0	0	108.8	R149 Q151 L155 C169 V170	R149-F157 HydrophobicContact CB-CB 4.45Å; R149-F157 PolarHBondContact N-O 3.35Å; R149-F157 PolarHBondContact O-N 3.45Å; Q151-F157 HydrophobicContact CB-CE2 4.13Å; L155-F157 HydrophobicContact CB-CE2 4.18Å; F157-C169 WeakPolarHBondContact CA-O 3.49Å; F157-V170 HydrophobicContact CD1-CG1 4.43Å; F157-V170 HydrophobicContact CD1-CG2 4.01Å; F157-V170 HydrophobicContact CE1-CG1 4.05Å; F157-V170 HydrophobicContact CE1-CG2 3.99Å
158	I	97.3	Very high	95.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.3	176.3	-67.5	173.6	0	0	0	107.7	V145 R147 M156 L160 Q168 C169 L171 L184	V145-I158 HydrophobicContact CB-CG2 4.44Å; V145-I158 HydrophobicContact CG1-CG2 4.1Å; V145-I158 HydrophobicContact CG2-CD1 4.43Å; V145-I158 HydrophobicContact CG2-CG2 4.1Å; R147-I158 WeakPolarHBondContact O-CA 3.36Å; M156-I158 HydrophobicContact CE-CD1 4.24Å; M156-I158 HydrophobicContact CG-CG1 4.45Å; I158-L160 HydrophobicContact CG2-CB 4.27Å; I158-L160 HydrophobicContact CG2-CD1 4.38Å; I158-Q168 CarbonylContact O-C 3.54Å; I158-Q168 WeakPolarHBondContact O-CA 3.27Å; I158-C169 HydrophobicContact CB-CB 4.23Å; I158-C169 PolarHBondContact N-O 3.26Å; I158-C169 PolarHBondContact O-N 3.21Å; I158-L171 HydrophobicContact CD1-CD1 3.84Å; I158-L171 HydrophobicContact CD1-CD2 4.22Å; I158-L171 HydrophobicContact CG1-CD1 4.41Å; I158-L184 HydrophobicContact CD1-CD2 3.59Å; I158-L184 HydrophobicContact CG1-CD2 4.43Å
159	V	97.4	Very high	95.5	Very high	31 Å²	31	50.8 Å²	50.8	19%	0.188	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	108.9	157.9	-177.8	0	0	0	0	106.1	H146 R147 F166 L167	H146-V159 WeakPolarHBondContact CA-O 3.28Å; H146-V159 WeakPolarHBondContact CB-O 3.42Å; H146-V159 PolarHBondContact N-O 3.29Å; R147-V159 HydrophobicContact CB-CB 3.95Å; R147-V159 HydrophobicContact CB-CG2 4.01Å; R147-V159 HydrophobicContact CG-CB 4.44Å; R147-V159 PolarHBondContact N-O 2.87Å; R147-V159 PolarHBondContact O-N 3.4Å; V159-F166 HydrophobicContact CG1-CB 4Å; V159-F166 HydrophobicContact CG1-CD1 3.98Å; V159-F166 HydrophobicContact CG1-CG 4.36Å; V159-L167 WeakPolarHBondContact CA-O 3.46Å
160	L	98.1	Very high	95.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	142.5	178	-163.9	75.5	0	0	0	109.3	V141 W144 I158 F166 L167 V190 L192	V141-L160 HydrophobicContact CB-CD2 4.21Å; V141-L160 HydrophobicContact CG1-CD2 3.67Å; W144-L160 WeakPolarHBondContact O-CA 3.38Å; I158-L160 HydrophobicContact CG2-CB 4.27Å; I158-L160 HydrophobicContact CG2-CD1 4.38Å; L160-F166 CarbonylContact O-C 3.58Å; L160-F166 VanDerWaalsContact O-CA 3.24Å; L160-F166 WeakPolarHBondContact O-CA 3.38Å; L160-L167 HydrophobicContact CB-CB 4.45Å; L160-L167 PolarHBondContact N-O 3.19Å; L160-L167 PolarHBondContact O-N 2.87Å; L160-V190 HydrophobicContact CD1-CG2 3.45Å; L160-V190 VanDerWaalsContact CD1-CG2 3.45Å; L160-L192 HydrophobicContact CD1-CD1 4.25Å; L160-L192 HydrophobicContact CD2-CD1 4.13Å
161	R	97.9	Very high	95.7	Very high	24 Å²	24	38.5 Å²	38.5	9%	0.091	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146.4	164.7	87.4	174.4	179.5	-95.8	-25.3	110.4	G143 W144 H146 G165 F166 E187 R249	G143-R161 CarbonylContact C-O 3.53Å; G143-R161 VanDerWaalsContact CA-O 3.22Å; G143-R161 WeakPolarHBondContact CA-O 3.12Å; W144-R161 HydrophobicContact CB-CG 4.26Å; W144-R161 PolarHBondContact N-O 3.43Å; W144-R161 PolarHBondContact O-N 2.78Å; H146-R161 HydrophobicContact CB-CB 4.29Å; H146-R161 HydrophobicContact CB-CG 4.44Å; H146-R161 PolarHBondContact ND1-NH1 2.8Å; R161-G165 WeakPolarHBondContact CA-O 3.46Å; R161-F166 HydrophobicContact CB-CD1 3.68Å; R161-F166 HydrophobicContact CB-CE1 3.66Å; R161-E187 IonicContact CZ-OE1 3.71Å; R161-E187 IonicContact CZ-OE2 3.35Å; R161-E187 IonicContact NH1-OE1 3.89Å; R161-E187 PolarHBondContact NH1-OE1 2.85Å; R161-E187 IonicContact NH1-OE2 2.98Å; R161-E187 IonicContact NH2-OE1 2.85Å; R161-E187 PolarHBondContact NH2-OE1 2.7Å; R161-E187 IonicContact NH2-OE2 3.74Å; R161-E187 PolarHBondContact NH2-OE2 2.7Å; R161-R249 PolarHBondContact NH1-O 3.03Å; R161-R249 VanDerWaalsContact NH1-O 3.08Å
162	D	97.6	Very high	95.9	Very high	11 Å²	11	36 Å²	36	6%	0.059	22%	0.217	C	C	.	.			trans	-128	6.2	175.5	75.8	-14.3	0	0	0	113.5	K127 I128 F142 T164 G165	K127-D162 WeakPolarHBondContact CA-OD2 3.34Å; K127-D162 WeakPolarHBondContact CD-OD2 3.34Å; I128-D162 HydrophobicContact CD1-CB 3.93Å; I128-D162 HydrophobicContact CG1-CB 4.25Å; I128-D162 PolarHBondContact N-OD2 3.35Å; F142-D162 WeakPolarHBondContact O-CB 3.14Å; D162-T164 VanDerWaalsContact CG-OG1 3.3Å; D162-T164 WeakPolarHBondContact OD1-CA 3.41Å; D162-T164 WeakPolarHBondContact OD1-CB 3.49Å; D162-T164 PolarHBondContact OD1-N 2.9Å; D162-T164 PolarHBondContact OD1-OG1 3.45Å; D162-T164 PolarHBondContact OD2-OG1 3.48Å; D162-G165 PolarHBondContact OD1-N 3.25Å
163	G	95.3	Very high	96.1	Very high	57 Å²	57	36.8 Å²	36.8	59%	0.588	21%	0.205	S	C	*	.	S	Bend	trans	94.4	-21.7	-173.5	0	0	0	0	0	114.2
164	T	94.3	Very high	96.5	Very high	38 Å²	38	35 Å²	35	23%	0.233	20%	0.197	C	C	.	.	S	Bend	trans	-95.4	-26.1	179.5	73.4	0	0	0	0	112.7	K127 I128 H129 D162	K127-T164 HydrophobicContact CB-CG2 4.25Å; K127-T164 HydrophobicContact CD-CG2 4.24Å; K127-T164 HydrophobicContact CG-CG2 4.44Å; I128-T164 PolarHBondContact N-OG1 3.08Å; H129-T164 PolarHBondContact N-OG1 3.18Å; H129-T164 VanDerWaalsContact N-OG1 3.13Å; D162-T164 VanDerWaalsContact CG-OG1 3.3Å; D162-T164 WeakPolarHBondContact OD1-CA 3.41Å; D162-T164 WeakPolarHBondContact OD1-CB 3.49Å; D162-T164 PolarHBondContact OD1-N 2.9Å; D162-T164 PolarHBondContact OD1-OG1 3.45Å; D162-T164 PolarHBondContact OD2-OG1 3.48Å
165	G	93	Very high	96.6	Very high	16 Å²	16	32.1 Å²	32.1	17%	0.165	18%	0.182	C	C	.	.			trans	-173.4	-167.9	175.2	0	0	0	0	0	113.1	I128 R161 D162	I128-G165 WeakPolarHBondContact CD1-O 3.44Å; R161-G165 WeakPolarHBondContact CA-O 3.46Å; D162-G165 PolarHBondContact OD1-N 3.25Å
166	F	95.8	Very high	96.5	Very high	39 Å²	39	29.6 Å²	29.6	17%	0.171	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	145	169.9	-63.4	-79	0	0	0	109.5	H146 V159 L160 R161 P206 E251	H146-F166 HydrophobicContact CB-CD1 4.34Å; H146-F166 HydrophobicContact CB-CE1 4.16Å; H146-F166 AromaticContact CD2-CD1 3.83Å; H146-F166 AromaticContact CD2-CE1 3.32Å; H146-F166 WeakPolarHBondContact CD2-CE1 3.35Å; H146-F166 AromaticContact CG-CE1 3.66Å; H146-F166 AromaticContact NE2-CE1 3.82Å; V159-F166 HydrophobicContact CG1-CB 4Å; V159-F166 HydrophobicContact CG1-CD1 3.98Å; V159-F166 HydrophobicContact CG1-CG 4.36Å; L160-F166 CarbonylContact O-C 3.58Å; L160-F166 VanDerWaalsContact O-CA 3.24Å; L160-F166 WeakPolarHBondContact O-CA 3.38Å; R161-F166 HydrophobicContact CB-CD1 3.68Å; R161-F166 HydrophobicContact CB-CE1 3.66Å; F166-P206 HydrophobicContact CB-CB 4.03Å; F166-P206 HydrophobicContact CB-CG 4.09Å; F166-P206 WeakPolarHBondContact O-CB 3.18Å; F166-E251 HydrophobicContact CE2-CG 4.03Å; F166-E251 HydrophobicContact CZ-CB 4.36Å; F166-E251 HydrophobicContact CZ-CG 4.07Å
167	L	97.6	Very high	96.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	124.2	179.6	175.9	66.7	0	0	0	109.8	I128 L131 V141 V159 L160 L211	I128-L167 HydrophobicContact CD1-CB 3.86Å; I128-L167 HydrophobicContact CG1-CB 4.04Å; I128-L167 HydrophobicContact CG2-CB 4.13Å; L131-L167 HydrophobicContact CD1-CD1 3.85Å; L131-L167 HydrophobicContact CD1-CD2 3.55Å; L131-L167 HydrophobicContact CD1-CG 4.21Å; V141-L167 HydrophobicContact CG1-CD2 4.31Å; V141-L167 HydrophobicContact CG2-CD2 4.22Å; V159-L167 WeakPolarHBondContact CA-O 3.46Å; L160-L167 HydrophobicContact CB-CB 4.45Å; L160-L167 PolarHBondContact N-O 3.19Å; L160-L167 PolarHBondContact O-N 2.87Å; L167-L211 HydrophobicContact CD1-CB 4.46Å; L167-L211 HydrophobicContact CD2-CB 3.97Å; L167-L211 HydrophobicContact CD2-CD1 4.11Å; L167-L211 HydrophobicContact CG-CB 4.32Å
168	Q	97.6	Very high	96.3	Very high	49 Å²	49	30.1 Å²	30.1	23%	0.229	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	129.1	169.2	-179.3	168	-66.3	0	0	109.5	I158 A205 E210 L211	I158-Q168 CarbonylContact O-C 3.54Å; I158-Q168 WeakPolarHBondContact O-CA 3.27Å; Q168-A205 HydrophobicContact CB-CB 4.04Å; Q168-E210 HydrophobicContact CB-CB 4.23Å; Q168-E210 HydrophobicContact CG-CB 4.34Å; Q168-E210 PolarHBondContact NE2-OE2 3.37Å; Q168-E210 CarbonylContact O-C 3.52Å; Q168-E210 VanDerWaalsContact O-CA 3.29Å; Q168-E210 WeakPolarHBondContact O-CA 3.48Å; Q168-E210 WeakPolarHBondContact O-CB 3.26Å; Q168-L211 PolarHBondContact O-N 3.08Å
169	C	97.8	Very high	96.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.5	179	-50.1	0	0	0	0	109.7	F157 I158 L171 L192 L211	F157-C169 WeakPolarHBondContact CA-O 3.49Å; I158-C169 HydrophobicContact CB-CB 4.23Å; I158-C169 PolarHBondContact N-O 3.26Å; I158-C169 PolarHBondContact O-N 3.21Å; C169-L171 HydrophobicContact CB-CD1 4.32Å; C169-L192 HydrophobicContact CB-CD1 3.56Å; C169-L192 WeakPolarHBondContact SG-CD1 3.33Å; C169-L211 CarbonylContact C-O 3.57Å; C169-L211 VanDerWaalsContact CA-O 3.32Å; C169-L211 WeakPolarHBondContact CA-O 3.29Å; C169-L211 HydrophobicContact CB-CB 4.36Å; C169-L211 HydrophobicContact CB-CD2 4.21Å
170	V	97	Very high	96.1	Very high	15 Å²	15	35.8 Å²	35.8	9%	0.091	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.3	-178.7	-172.5	0	0	0	0	109	L155 F157 L211 C213	L155-V170 HydrophobicContact CD2-CG1 4.29Å; F157-V170 HydrophobicContact CD1-CG1 4.43Å; F157-V170 HydrophobicContact CD1-CG2 4.01Å; F157-V170 HydrophobicContact CE1-CG1 4.05Å; F157-V170 HydrophobicContact CE1-CG2 3.99Å; V170-L211 PolarHBondContact N-O 3.01Å; V170-C213 WeakPolarHBondContact O-CB 3.4Å; V170-C213 PolarHBondContact O-N 3.49Å
171	L	97.9	Very high	95.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.2	175.5	-75.4	74.4	0	0	0	108.8	M156 I158 C169 L175 L192 C213 W216	M156-L171 HydrophobicContact CB-CB 4.28Å; M156-L171 HydrophobicContact CE-CB 4.23Å; M156-L171 HydrophobicContact CE-CD2 3.62Å; M156-L171 HydrophobicContact CE-CG 4.45Å; M156-L171 PolarHBondContact N-O 3.2Å; M156-L171 PolarHBondContact O-N 3.09Å; I158-L171 HydrophobicContact CD1-CD1 3.84Å; I158-L171 HydrophobicContact CD1-CD2 4.22Å; I158-L171 HydrophobicContact CG1-CD1 4.41Å; C169-L171 HydrophobicContact CB-CD1 4.32Å; L171-L175 HydrophobicContact CB-CB 4.11Å; L171-L175 HydrophobicContact CD2-CB 4.4Å; L171-L175 HydrophobicContact CG-CB 4.39Å; L171-L192 HydrophobicContact CD1-CD2 4.33Å; L171-L192 HydrophobicContact CD2-CD2 4.46Å; L171-C213 HydrophobicContact CD1-CB 3.82Å; L171-C213 HydrophobicContact CG-CB 3.73Å; L171-W216 HydrophobicContact CD2-CD2 4.14Å; L171-W216 HydrophobicContact CD2-CG 3.94Å
172	S	96.7	Very high	95.6	Very high	47 Å²	47	37.8 Å²	37.8	33%	0.329	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	150.9	-174.7	-59.4	0	0	0	0	112.8	N154 L155 K174 L175	N154-S172 CarbonylContact O-C 3.53Å; N154-S172 VanDerWaalsContact O-CA 3.28Å; N154-S172 WeakPolarHBondContact O-CA 3.43Å; L155-S172 WeakPolarHBondContact CD2-OG 3.12Å; S172-K174 PolarHBondContact O-N 2.84Å; S172-L175 WeakPolarHBondContact O-CB 3.28Å; S172-L175 PolarHBondContact O-N 3.02Å
173	D	95.4	Very high	95.4	Very high	88 Å²	88	39.2 Å²	39.2	47%	0.471	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	-116.7	171.9	-56.9	-51.3	0	0	0	113.3	N154 L175 C176 Q177	N154-D173 PolarHBondContact O-N 2.8Å; D173-L175 PolarHBondContact O-N 2.87Å; D173-L175 VanDerWaalsContact O-N 3.12Å; D173-C176 PolarHBondContact O-N 2.99Å; D173-C176 VanDerWaalsContact O-N 3.12Å; D173-C176 PolarHBondContact O-SG 3.43Å; D173-Q177 WeakPolarHBondContact O-CB 3.46Å; D173-Q177 WeakPolarHBondContact O-CG 3.2Å; D173-Q177 PolarHBondContact O-N 2.81Å
174	K	95.6	Very high	95.5	Very high	133 Å²	133	36.7 Å²	36.7	58%	0.578	19%	0.188	S	C	*	.	H	α-helix	trans	-55.8	-33.4	-176.9	-65.5	-175	-179	-179.3	0	112.5	I112 I114 S172 C176 Q177 C178	I112-K174 HydrophobicContact CG2-CB 3.93Å; I112-K174 HydrophobicContact CG2-CG 4.13Å; I114-K174 HydrophobicContact CG2-CB 4.25Å; S172-K174 PolarHBondContact O-N 2.84Å; K174-C176 VanDerWaalsContact C-N 3.29Å; K174-C176 PolarHBondContact O-N 2.99Å; K174-Q177 PolarHBondContact O-N 3.33Å; K174-C178 WeakPolarHBondContact O-CB 3.3Å; K174-C178 PolarHBondContact O-N 3.46Å
175	L	96.4	Very high	95.6	Very high	18 Å²	18	35.4 Å²	35.4	9%	0.094	18%	0.181	C	C	.	.	H	α-helix	trans	-64.4	-33.4	-177.7	-58.3	-179.1	0	0	0	112.3	I114 L171 S172 D173 C178 C213 W216	I114-L175 HydrophobicContact CB-CD2 4.24Å; I114-L175 HydrophobicContact CD1-CD2 4.39Å; I114-L175 HydrophobicContact CG2-CD2 3.91Å; L171-L175 HydrophobicContact CB-CB 4.11Å; L171-L175 HydrophobicContact CD2-CB 4.4Å; L171-L175 HydrophobicContact CG-CB 4.39Å; S172-L175 WeakPolarHBondContact O-CB 3.28Å; S172-L175 PolarHBondContact O-N 3.02Å; D173-L175 PolarHBondContact O-N 2.87Å; D173-L175 VanDerWaalsContact O-N 3.12Å; L175-C178 PolarHBondContact O-SG 3.36Å; L175-C178 VanDerWaalsContact O-SG 3.37Å; L175-C213 HydrophobicContact CD1-CB 4.13Å; L175-C213 WeakPolarHBondContact CD1-O 3.09Å; L175-W216 PolarHBondContact O-NE1 3.46Å
176	C	94.2	Very high	95.7	Very high	6 Å²	6	36 Å²	36	4%	0.041	18%	0.181	C	C	.	.	H	α-helix	trans	-100	-15.4	176.3	64.4	0	0	0	0	114.1	M156 D173 K174 G181	M156-C176 HydrophobicContact CB-CB 3.61Å; M156-C176 HydrophobicContact CE-CB 4Å; M156-C176 HydrophobicContact SD-CB 4.4Å; D173-C176 PolarHBondContact O-N 2.99Å; D173-C176 VanDerWaalsContact O-N 3.12Å; D173-C176 PolarHBondContact O-SG 3.43Å; K174-C176 VanDerWaalsContact C-N 3.29Å; K174-C176 PolarHBondContact O-N 2.99Å; C176-G181 CarbonylContact O-C 3.48Å
177	Q	94.4	Very high	95.8	Very high	55 Å²	55	35 Å²	35	26%	0.257	18%	0.177	S	C	.	.	H	α-helix	trans	-87.3	-20.3	178.2	-67.2	164.6	2.4	0	0	113.6	A109 I112 K153 N154 D173 K174	A109-Q177 WeakPolarHBondContact CB-O 3.15Å; I112-Q177 HydrophobicContact CD1-CB 3.67Å; K153-Q177 WeakPolarHBondContact O-CG 3.31Å; N154-Q177 PolarHBondContact OD1-NE2 3.14Å; D173-Q177 WeakPolarHBondContact O-CB 3.46Å; D173-Q177 WeakPolarHBondContact O-CG 3.2Å; D173-Q177 PolarHBondContact O-N 2.81Å; K174-Q177 PolarHBondContact O-N 3.33Å
178	C	94.7	Very high	95.8	Very high	6 Å²	6	35 Å²	35	4%	0.041	18%	0.177	C	C	.	.	S	Bend	trans	-60	160.9	176	70.6	0	0	0	0	112.4	I112 I114 K174 L175 N180 G181 L182	I112-C178 HydrophobicContact CB-CB 4.43Å; I112-C178 HydrophobicContact CG2-CB 4.16Å; I114-C178 HydrophobicContact CG2-CB 4.25Å; K174-C178 WeakPolarHBondContact O-CB 3.3Å; K174-C178 PolarHBondContact O-N 3.46Å; L175-C178 PolarHBondContact O-SG 3.36Å; L175-C178 VanDerWaalsContact O-SG 3.37Å; C178-N180 VanDerWaalsContact C-N 3.29Å; C178-N180 PolarHBondContact O-N 3.46Å; C178-G181 WeakPolarHBondContact O-CA 3.31Å; C178-G181 PolarHBondContact O-N 3.2Å; C178-G181 PolarHBondContact SG-N 3.29Å; C178-G181 VanDerWaalsContact SG-N 3.4Å; C178-L182 PolarHBondContact O-N 3.2Å; C178-L182 VanDerWaalsContact O-N 3.07Å
179	Y	94.3	Very high	95.9	Very high	86 Å²	86	34.4 Å²	34.4	34%	0.337	18%	0.177	S	C	.	.	H	α-helix	trans	-51	-47.3	-177.4	-179.1	-105	0	0	0	112.9	L106 A109 K110 G181 L182 L183	L106-Y179 HydrophobicContact CB-CD2 4.35Å; L106-Y179 HydrophobicContact CB-CE2 4.14Å; L106-Y179 HydrophobicContact CD2-CD2 3.97Å; L106-Y179 HydrophobicContact CD2-CE2 3.9Å; L106-Y179 HydrophobicContact CG-CE2 4.49Å; A109-Y179 PolarHBondContact O-N 2.93Å; K110-Y179 HydrophobicContact CD-CD2 4.49Å; K110-Y179 HydrophobicContact CG-CD2 3.66Å; K110-Y179 HydrophobicContact CG-CE2 4.21Å; K110-Y179 HydrophobicContact CG-CG 4.04Å; Y179-G181 VanDerWaalsContact C-N 3.32Å; Y179-G181 PolarHBondContact O-N 3.49Å; Y179-L182 PolarHBondContact O-N 3.25Å; Y179-L183 HydrophobicContact CD1-CD1 3.96Å; Y179-L183 HydrophobicContact CE1-CD1 3.34Å; Y179-L183 HydrophobicContact CE1-CG 4.4Å; Y179-L183 HydrophobicContact CE2-CD1 4.12Å; Y179-L183 VanDerWaalsContact CZ-CD1 3.43Å; Y179-L183 PolarHBondContact O-N 3.33Å
180	N	95.4	Very high	95.9	Very high	64 Å²	64	34.4 Å²	34.4	34%	0.342	18%	0.177	S	C	.	.	H	α-helix	trans	-65.2	-35.6	177.3	-69.6	-18.3	0	0	0	112.1	C178 L182 L183 L184 W216 L218	C178-N180 VanDerWaalsContact C-N 3.29Å; C178-N180 PolarHBondContact O-N 3.46Å; N180-L182 VanDerWaalsContact C-N 3.33Å; N180-L182 PolarHBondContact O-N 3.08Å; N180-L183 PolarHBondContact O-N 3.4Å; N180-L184 WeakPolarHBondContact O-CB 3.26Å; N180-L184 PolarHBondContact O-N 3.09Å; N180-W216 HydrophobicContact CB-CH2 3.6Å; N180-W216 HydrophobicContact CB-CZ2 3.92Å; N180-W216 HydrophobicContact CB-CZ3 4.4Å; N180-L218 HydrophobicContact CB-CB 4.26Å; N180-L218 HydrophobicContact CB-CD2 4.17Å
181	G	94.2	Very high	96	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.5	-35.5	177.5	0	0	0	0	0	113.1	R150 C176 C178 Y179	R150-G181 PolarHBondContact NH2-O 2.85Å; C176-G181 CarbonylContact O-C 3.48Å; C178-G181 WeakPolarHBondContact O-CA 3.31Å; C178-G181 PolarHBondContact O-N 3.2Å; C178-G181 PolarHBondContact SG-N 3.29Å; C178-G181 VanDerWaalsContact SG-N 3.4Å; Y179-G181 VanDerWaalsContact C-N 3.32Å; Y179-G181 PolarHBondContact O-N 3.49Å
182	L	93.3	Very high	96	Very high	65 Å²	65	33.7 Å²	33.7	34%	0.34	17%	0.173	S	C	.	.	H	α-helix	trans	-75	-31.7	174.9	-64.1	-170.1	0	0	0	113.3	N105 L106 A109 C178 Y179 N180	N105-L182 HydrophobicContact CB-CD1 4.46Å; L106-L182 HydrophobicContact CD2-CB 3.89Å; L106-L182 HydrophobicContact CD2-CD1 4.23Å; A109-L182 HydrophobicContact CB-CD1 3.49Å; A109-L182 VanDerWaalsContact CB-CD1 3.49Å; A109-L182 HydrophobicContact CB-CG 4.17Å; C178-L182 PolarHBondContact O-N 3.2Å; C178-L182 VanDerWaalsContact O-N 3.07Å; Y179-L182 PolarHBondContact O-N 3.25Å; N180-L182 VanDerWaalsContact C-N 3.33Å; N180-L182 PolarHBondContact O-N 3.08Å
183	L	93.3	Very high	96.1	Very high	41 Å²	41	32 Å²	32	22%	0.215	16%	0.16	C	C	.	.	H	α-helix	trans	-82.8	-24.5	178.6	-70.6	-176.5	0	0	0	114	L106 Y179 N180 S185 L221	L106-L183 HydrophobicContact CD1-CD2 4.37Å; L106-L183 HydrophobicContact CD2-CD2 3.88Å; L106-L183 HydrophobicContact CD2-CG 4.12Å; Y179-L183 HydrophobicContact CD1-CD1 3.96Å; Y179-L183 HydrophobicContact CE1-CD1 3.34Å; Y179-L183 HydrophobicContact CE1-CG 4.4Å; Y179-L183 HydrophobicContact CE2-CD1 4.12Å; Y179-L183 VanDerWaalsContact CZ-CD1 3.43Å; Y179-L183 PolarHBondContact O-N 3.33Å; N180-L183 PolarHBondContact O-N 3.4Å; L183-S185 PolarHBondContact O-N 3.49Å; L183-L221 HydrophobicContact CB-CD1 4.42Å; L183-L221 HydrophobicContact CB-CD2 4.42Å; L183-L221 HydrophobicContact CD1-CD2 4.46Å
184	L	96.1	Very high	96.2	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	14%	0.137	C	C	.	.			trans	-52.6	129.9	-171.1	-169.4	66.6	0	0	0	112.3	V145 L148 R150 M156 I158 N180 V190 W216 L218	V145-L184 HydrophobicContact CG2-CD1 4.23Å; V145-L184 HydrophobicContact CG2-CD2 4.31Å; V145-L184 HydrophobicContact CG2-CG 4.46Å; L148-L184 HydrophobicContact CD1-CB 4.06Å; L148-L184 HydrophobicContact CD1-CD2 3.77Å; L148-L184 HydrophobicContact CD1-CG 3.68Å; L148-L184 WeakPolarHBondContact CD1-O 3.42Å; R150-L184 PolarHBondContact NH2-O 3.21Å; M156-L184 HydrophobicContact CE-CD2 3.83Å; M156-L184 HydrophobicContact SD-CD2 4.21Å; I158-L184 HydrophobicContact CD1-CD2 3.59Å; I158-L184 HydrophobicContact CG1-CD2 4.43Å; N180-L184 WeakPolarHBondContact O-CB 3.26Å; N180-L184 PolarHBondContact O-N 3.09Å; L184-V190 HydrophobicContact CD1-CG1 3.81Å; L184-W216 HydrophobicContact CB-CH2 4.36Å; L184-W216 HydrophobicContact CD1-CH2 4.18Å; L184-W216 HydrophobicContact CD1-CZ3 4.04Å; L184-W216 HydrophobicContact CD2-CH2 4.11Å; L184-W216 HydrophobicContact CD2-CZ3 4.29Å; L184-W216 HydrophobicContact CG-CH2 4.46Å; L184-L218 HydrophobicContact CD1-CD1 3.91Å
185	S	95.9	Very high	96.3	Very high	12 Å²	12	23.9 Å²	23.9	8%	0.084	12%	0.124	C	C	.	.			trans	-124.2	161.4	-179.6	57	0	0	0	0	110.6	L183 S188 A222	L183-S185 PolarHBondContact O-N 3.49Å; S185-S188 WeakPolarHBondContact O-CB 3.32Å; S185-S188 PolarHBondContact O-N 3.15Å; S185-S188 PolarHBondContact O-OG 2.84Å; S185-S188 PolarHBondContact OG-OG 3.41Å; S185-A222 PolarHBondContact OG-O 2.91Å
186	T	96.7	Very high	96.4	Very high	27 Å²	27	23 Å²	23	17%	0.166	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	151.9	169.4	45.4	0	0	0	0	110.7	V145 L148 S188 A222	V145-T186 CarbonylContact O-C 3.46Å; V145-T186 WeakPolarHBondContact O-CA 3.38Å; L148-T186 HydrophobicContact CB-CG2 4.05Å; T186-S188 PolarHBondContact O-N 3.25Å; T186-A222 VanDerWaalsContact O-CB 3.28Å; T186-A222 WeakPolarHBondContact O-CB 3.45Å
187	E	97.4	Very high	96.5	Very high	18 Å²	18	24.6 Å²	24.6	8%	0.084	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	-2.8	-170.5	-60.8	-63.4	128.2	0	0	116.1	V145 R161 A222 A227 M246 R249	V145-E187 PolarHBondContact O-N 2.98Å; R161-E187 IonicContact CZ-OE1 3.71Å; R161-E187 IonicContact CZ-OE2 3.35Å; R161-E187 IonicContact NH1-OE1 3.89Å; R161-E187 PolarHBondContact NH1-OE1 2.85Å; R161-E187 IonicContact NH1-OE2 2.98Å; R161-E187 IonicContact NH2-OE1 2.85Å; R161-E187 PolarHBondContact NH2-OE1 2.7Å; R161-E187 IonicContact NH2-OE2 3.74Å; R161-E187 PolarHBondContact NH2-OE2 2.7Å; E187-A222 HydrophobicContact CB-CB 3.99Å; E187-A227 HydrophobicContact CG-CB 4.1Å; E187-M246 HydrophobicContact CG-CE 4.3Å; E187-R249 WeakPolarHBondContact OE2-CD 3.3Å; E187-R249 IonicContact OE2-CZ 2.81Å; E187-R249 IonicContact OE2-NE 3.74Å; E187-R249 IonicContact OE2-NH1 3.74Å; E187-R249 PolarHBondContact OE2-NH1 3.49Å
188	S	98.1	Very high	96.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.			trans	-63	146.1	170.6	-65.1	0	0	0	0	110.9	W144 V145 S185 T186 G220 A222	W144-S188 CarbonylContact C-O 3.57Å; W144-S188 WeakPolarHBondContact CA-O 3.39Å; V145-S188 PolarHBondContact N-O 2.82Å; S185-S188 WeakPolarHBondContact O-CB 3.32Å; S185-S188 PolarHBondContact O-N 3.15Å; S185-S188 PolarHBondContact O-OG 2.84Å; S185-S188 PolarHBondContact OG-OG 3.41Å; T186-S188 PolarHBondContact O-N 3.25Å; S188-G220 CarbonylContact C-O 3.54Å; S188-G220 WeakPolarHBondContact CA-O 3.36Å; S188-A222 PolarHBondContact OG-N 3.48Å
189	T	98.6	Very high	96.2	Very high	38 Å²	38	26.7 Å²	26.7	23%	0.233	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.3	176.4	-49.8	0	0	0	0	109.6	G143 W144 V219 G220	G143-T189 WeakPolarHBondContact O-CA 3.49Å; W144-T189 VanDerWaalsContact CD1-OG1 3.32Å; W144-T189 PolarHBondContact NE1-OG1 2.99Å; W144-T189 VanDerWaalsContact NE1-OG1 3.16Å; T189-V219 HydrophobicContact CG2-CB 4.01Å; T189-V219 HydrophobicContact CG2-CG1 4.24Å; T189-V219 WeakPolarHBondContact O-CB 3.44Å; T189-V219 PolarHBondContact O-N 3.11Å; T189-G220 PolarHBondContact N-O 3.04Å; T189-G220 PolarHBondContact O-N 3.02Å; T189-G220 VanDerWaalsContact O-N 3.14Å
190	V	98.6	Very high	95.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	156.8	-176.6	-61.5	0	0	0	0	111.4	F142 G143 V145 L160 L184 L192 W216 E217 L218	F142-V190 WeakPolarHBondContact CA-O 3.43Å; G143-V190 PolarHBondContact N-O 3.01Å; G143-V190 PolarHBondContact O-N 3.29Å; V145-V190 HydrophobicContact CG2-CG1 4.09Å; V145-V190 HydrophobicContact CG2-CG2 4.04Å; L160-V190 HydrophobicContact CD1-CG2 3.45Å; L160-V190 VanDerWaalsContact CD1-CG2 3.45Å; L184-V190 HydrophobicContact CD1-CG1 3.81Å; V190-L192 HydrophobicContact CG2-CD1 4.42Å; V190-L192 HydrophobicContact CG2-CD2 4.18Å; V190-L192 HydrophobicContact CG2-CG 3.97Å; V190-W216 HydrophobicContact CB-CE3 4.29Å; V190-W216 HydrophobicContact CG1-CE3 3.95Å; V190-W216 HydrophobicContact CG1-CZ3 3.8Å; V190-E217 CarbonylContact C-O 3.59Å; V190-E217 VanDerWaalsContact CA-O 3.24Å; V190-E217 WeakPolarHBondContact CA-O 3.47Å; V190-E217 WeakPolarHBondContact CB-O 3.36Å; V190-L218 HydrophobicContact CG1-CD1 4.17Å
191	A	98.6	Very high	95.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.8	162.3	0	0	0	0	0	108.1	F142 Y193 W216 E217 V219	F142-A191 HydrophobicContact CD1-CB 3.61Å; F142-A191 HydrophobicContact CE1-CB 3.51Å; F142-A191 HydrophobicContact CG-CB 4.45Å; F142-A191 HydrophobicContact CZ-CB 4.28Å; A191-Y193 HydrophobicContact CB-CE2 4.06Å; A191-W216 CarbonylContact O-C 3.53Å; A191-W216 WeakPolarHBondContact O-CA 3.46Å; A191-W216 WeakPolarHBondContact O-CB 3.47Å; A191-E217 HydrophobicContact CB-CB 4.23Å; A191-E217 PolarHBondContact N-O 3.01Å; A191-E217 PolarHBondContact O-N 2.97Å; A191-V219 HydrophobicContact CB-CG2 4.49Å
192	L	98.4	Very high	94.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.5	178.7	-61.7	179.2	0	0	0	109.7	K140 V141 L160 C169 L171 V190 L211 W216	K140-L192 CarbonylContact C-O 3.54Å; K140-L192 WeakPolarHBondContact CA-O 3.19Å; V141-L192 PolarHBondContact N-O 3.08Å; V141-L192 PolarHBondContact O-N 3.38Å; L160-L192 HydrophobicContact CD1-CD1 4.25Å; L160-L192 HydrophobicContact CD2-CD1 4.13Å; C169-L192 HydrophobicContact CB-CD1 3.56Å; C169-L192 WeakPolarHBondContact SG-CD1 3.33Å; L171-L192 HydrophobicContact CD1-CD2 4.33Å; L171-L192 HydrophobicContact CD2-CD2 4.46Å; V190-L192 HydrophobicContact CG2-CD1 4.42Å; V190-L192 HydrophobicContact CG2-CD2 4.18Å; V190-L192 HydrophobicContact CG2-CG 3.97Å; L192-L211 HydrophobicContact CB-CD2 4.1Å; L192-W216 HydrophobicContact CD2-CB 3.48Å; L192-W216 VanDerWaalsContact CD2-CB 3.48Å; L192-W216 HydrophobicContact CD2-CG 4.11Å
193	Y	98.5	Very high	94.3	Very high	12 Å²	12	40.5 Å²	40.5	5%	0.047	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.4	176.4	-59.4	-117.6	0	0	0	107.1	P123 V139 K140 A191 C213 D214 F215 E217	P123-Y193 HydrophobicContact CG-CD1 3.49Å; P123-Y193 VanDerWaalsContact CG-CD1 3.49Å; P123-Y193 HydrophobicContact CG-CE1 3.99Å; V139-Y193 WeakPolarHBondContact O-CA 3.4Å; K140-Y193 HydrophobicContact CB-CD1 4.15Å; K140-Y193 HydrophobicContact CB-CE1 4.19Å; K140-Y193 HydrophobicContact CD-CD1 4.33Å; K140-Y193 HydrophobicContact CD-CE1 3.55Å; K140-Y193 HydrophobicContact CD-CE2 4.24Å; K140-Y193 WeakPolarHBondContact CE-OH 3.36Å; K140-Y193 HydrophobicContact CG-CD1 4.17Å; K140-Y193 HydrophobicContact CG-CD2 4.46Å; K140-Y193 HydrophobicContact CG-CE1 3.86Å; K140-Y193 HydrophobicContact CG-CE2 4.18Å; K140-Y193 HydrophobicContact CG-CG 4.46Å; K140-Y193 PolarHBondContact NZ-OH 3.36Å; A191-Y193 HydrophobicContact CB-CE2 4.06Å; Y193-C213 CarbonylContact O-C 3.36Å; Y193-C213 WeakPolarHBondContact O-CA 3.5Å; Y193-C213 PolarHBondContact O-SG 3.03Å; Y193-D214 PolarHBondContact O-N 3.16Å; Y193-F215 WeakPolarHBondContact CA-O 3.43Å; Y193-F215 VanDerWaalsContact CB-O 3.31Å; Y193-F215 WeakPolarHBondContact CB-O 3.47Å; Y193-F215 HydrophobicContact CD1-CD1 4.33Å; Y193-F215 AromaticContact CD2-CD1 3.51Å; Y193-F215 HydrophobicContact CD2-CD1 3.51Å; Y193-F215 HydrophobicContact CD2-CE1 4.14Å; Y193-F215 HydrophobicContact CD2-CG 4.48Å; Y193-F215 AromaticContact CE2-CD1 3.7Å; Y193-F215 HydrophobicContact CE2-CD1 3.7Å; Y193-F215 AromaticContact CE2-CE1 3.85Å; Y193-F215 HydrophobicContact CE2-CE1 3.85Å; Y193-F215 HydrophobicContact CG-CB 4.49Å; Y193-F215 AromaticContact CG-CD1 3.86Å; Y193-F215 HydrophobicContact CG-CD1 3.86Å; Y193-F215 PolarHBondContact N-O 3.15Å; Y193-F215 PolarHBondContact O-N 2.87Å; Y193-E217 HydrophobicContact CE2-CG 4.11Å; Y193-E217 VanDerWaalsContact CE2-OE2 3.27Å; Y193-E217 WeakPolarHBondContact CE2-OE2 3.47Å; Y193-E217 PolarHBondContact OH-OE2 2.98Å
194	G	97.7	Very high	93.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.9	170.4	-174.3	0	0	0	0	0	113.6	R138 V139 H212 D214	R138-G194 CarbonylContact C-O 3.42Å; R138-G194 WeakPolarHBondContact CA-O 3.32Å; V139-G194 PolarHBondContact N-O 2.88Å; V139-G194 PolarHBondContact O-N 2.96Å; G194-H212 CarbonylContact C-O 3.57Å; G194-H212 WeakPolarHBondContact CA-O 3.3Å; G194-D214 WeakPolarHBondContact CA-OD2 3.4Å
195	T	97.9	Very high	93.4	Very high	49 Å²	49	48.2 Å²	48.2	30%	0.301	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.3	175.7	-56.4	0	0	0	0	110	E137 T197 H212	E137-T195 WeakPolarHBondContact O-CA 3.42Å; T195-T197 HydrophobicContact CG2-CG2 4.32Å; T195-H212 PolarHBondContact N-O 2.8Å; T195-H212 PolarHBondContact O-N 3.42Å
196	I	97.7	Very high	92.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	122.9	173.1	-58.6	-57.4	0	0	0	109.3	L131 R135 G136 E137 V139 H209 E210 L211	L131-I196 HydrophobicContact CD1-CD1 4.03Å; L131-I196 HydrophobicContact CD2-CD1 4.08Å; L131-I196 HydrophobicContact CD2-CG1 4.11Å; L131-I196 HydrophobicContact CG-CD1 4.46Å; R135-I196 HydrophobicContact CG-CG2 3.96Å; G136-I196 PolarHBondContact N-O 3.13Å; E137-I196 PolarHBondContact O-N 3.06Å; E137-I196 VanDerWaalsContact O-N 3.09Å; V139-I196 HydrophobicContact CG1-CG1 4.38Å; V139-I196 HydrophobicContact CG2-CD1 3.68Å; V139-I196 HydrophobicContact CG2-CG1 3.62Å; I196-H209 HydrophobicContact CG2-CB 3.85Å; I196-E210 WeakPolarHBondContact CA-O 3.48Å; I196-L211 HydrophobicContact CD1-CB 3.91Å; I196-L211 HydrophobicContact CD1-CD1 3.93Å; I196-L211 HydrophobicContact CD1-CG 4.21Å
197	T	95.9	Very high	92.4	Very high	39 Å²	39	51.5 Å²	51.5	24%	0.239	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141	178.9	59.9	0	0	0	0	111	T195 H209 E210 H212	T195-T197 HydrophobicContact CG2-CG2 4.32Å; T197-H209 CarbonylContact O-C 3.56Å; T197-H209 WeakPolarHBondContact O-CA 3.27Å; T197-H209 VanDerWaalsContact O-CB 3.22Å; T197-H209 WeakPolarHBondContact O-CB 3.39Å; T197-E210 PolarHBondContact N-O 3.41Å; T197-E210 PolarHBondContact O-N 3.1Å; T197-E210 PolarHBondContact OG1-O 3.09Å; T197-H212 PolarHBondContact OG1-CD2 2.8Å; T197-H212 PolarHBondContact OG1-NE2 3.31Å
198	P	94.3	Very high	92.1	Very high	81 Å²	81	52.4 Å²	52.4	53%	0.526	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	143.7	169.7	-20.7	31.6	0	0	0	110.9
199	V	90.3	Very high	92	Very high	25 Å²	25	52.8 Å²	52.8	15%	0.152	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-65.5	137.5	177	-179.6	0	0	0	0	109.3	K203 A205 G208	V199-K203 HydrophobicContact CG1-CB 3.47Å; V199-K203 VanDerWaalsContact CG1-CB 3.47Å; V199-K203 WeakPolarHBondContact CG1-O 3.15Å; V199-A205 HydrophobicContact CG2-CB 3.45Å; V199-A205 VanDerWaalsContact CG2-CB 3.45Å; V199-G208 VanDerWaalsContact CG2-C 3.45Å; V199-G208 PolarHBondContact N-O 3.33Å; V199-G208 VanDerWaalsContact N-O 3.08Å
200	P	84.6	Confident	91.9	Very high	65 Å²	65	52 Å²	52	42%	0.422	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-56.9	150.9	176.1	-25.5	34.1	0	0	0	113	G202 K203	P200-G202 PolarHBondContact O-N 3.35Å; P200-K203 PolarHBondContact O-N 3.03Å; P200-K203 VanDerWaalsContact O-N 3.09Å
201	E	82.6	Confident	91.9	Very high	205 Å²	205	52 Å²	52	96%	0.958	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	134.1	179	-163.5	174.8	-173.2	0	0	111.7	K203	E201-K203 VanDerWaalsContact C-N 3.33Å; E201-K203 PolarHBondContact O-N 3.49Å
202	G	82.3	Confident	91.8	Very high	84 Å²	84	55.8 Å²	55.8	87%	0.866	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-2.9	-177.6	0	0	0	0	0	115.9	P200	P200-G202 PolarHBondContact O-N 3.35Å
203	K	86.1	Confident	91.8	Very high	151 Å²	151	56.5 Å²	56.5	66%	0.657	34%	0.337	S	S	*	.			trans	-106.5	157.7	171.2	-67	-173.3	-177.6	-178.9	0	111.3	V199 P200 E201	V199-K203 HydrophobicContact CG1-CB 3.47Å; V199-K203 VanDerWaalsContact CG1-CB 3.47Å; V199-K203 WeakPolarHBondContact CG1-O 3.15Å; P200-K203 PolarHBondContact O-N 3.03Å; P200-K203 VanDerWaalsContact O-N 3.09Å; E201-K203 VanDerWaalsContact C-N 3.33Å; E201-K203 PolarHBondContact O-N 3.49Å
204	Q	85.4	Confident	91.8	Very high	190 Å²	190	58.1 Å²	58.1	89%	0.888	35%	0.347	S	S	*	.			trans	-126	135.6	175.8	-65.4	-172.1	4.1	0	0	110.4
205	A	86.4	Confident	91.8	Very high	16 Å²	16	59.3 Å²	59.3	13%	0.132	35%	0.352	C	S	.	.			trans	-139.4	155.4	166.5	0	0	0	0	0	109.2	Q168 V199 G207 G208	Q168-A205 HydrophobicContact CB-CB 4.04Å; V199-A205 HydrophobicContact CG2-CB 3.45Å; V199-A205 VanDerWaalsContact CG2-CB 3.45Å; A205-G207 PolarHBondContact O-N 2.86Å; A205-G208 PolarHBondContact O-N 3.45Å
206	P	85.6	Confident	91.8	Very high	54 Å²	54	57.2 Å²	57.2	35%	0.351	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-51.6	129.7	175.5	-27.2	36.2	0	0	0	111.8	F166 G208	F166-P206 HydrophobicContact CB-CB 4.03Å; F166-P206 HydrophobicContact CB-CG 4.09Å; F166-P206 WeakPolarHBondContact O-CB 3.18Å; P206-G208 PolarHBondContact O-N 3.18Å
207	G	85.6	Confident	91.8	Very high	55 Å²	55	61 Å²	61	57%	0.567	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	73.4	2.4	-178	0	0	0	0	0	115.7	R135 A205 H209	R135-G207 PolarHBondContact NH2-O 3.3Å; A205-G207 PolarHBondContact O-N 2.86Å; G207-H209 PolarHBondContact O-CE1 3.39Å; G207-H209 PolarHBondContact O-N 2.89Å; G207-H209 PolarHBondContact O-ND1 3.05Å
208	G	92.3	Very high	91.9	Very high	36 Å²	36	61 Å²	61	37%	0.371	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	69.8	16.5	178.2	0	0	0	0	0	114.6	V199 A205 P206	V199-G208 VanDerWaalsContact CG2-C 3.45Å; V199-G208 PolarHBondContact N-O 3.33Å; V199-G208 VanDerWaalsContact N-O 3.08Å; A205-G208 PolarHBondContact O-N 3.45Å; P206-G208 PolarHBondContact O-N 3.18Å
209	H	95.6	Very high	92.1	Very high	8 Å²	8	61.4 Å²	61.4	4%	0.037	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	163.3	176.4	56.2	-88.3	0	0	0	111.3	L131 R135 I196 T197 G207	L131-H209 VanDerWaalsContact CB-NE2 3.29Å; L131-H209 WeakPolarHBondContact CB-NE2 3.48Å; R135-H209 HydrophobicContact CG-CB 4.46Å; I196-H209 HydrophobicContact CG2-CB 3.85Å; T197-H209 CarbonylContact O-C 3.56Å; T197-H209 WeakPolarHBondContact O-CA 3.27Å; T197-H209 VanDerWaalsContact O-CB 3.22Å; T197-H209 WeakPolarHBondContact O-CB 3.39Å; G207-H209 PolarHBondContact O-CE1 3.39Å; G207-H209 PolarHBondContact O-N 2.89Å; G207-H209 PolarHBondContact O-ND1 3.05Å
210	E	96.8	Very high	92.5	Very high	22 Å²	22	61.7 Å²	61.7	10%	0.103	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	156	174.3	60	-178.7	-171.3	0	0	110.9	Q168 I196 T197 H212	Q168-E210 HydrophobicContact CB-CB 4.23Å; Q168-E210 HydrophobicContact CG-CB 4.34Å; Q168-E210 PolarHBondContact NE2-OE2 3.37Å; Q168-E210 CarbonylContact O-C 3.52Å; Q168-E210 VanDerWaalsContact O-CA 3.29Å; Q168-E210 WeakPolarHBondContact O-CA 3.48Å; Q168-E210 WeakPolarHBondContact O-CB 3.26Å; I196-E210 WeakPolarHBondContact CA-O 3.48Å; T197-E210 PolarHBondContact N-O 3.41Å; T197-E210 PolarHBondContact O-N 3.1Å; T197-E210 PolarHBondContact OG1-O 3.09Å; E210-H212 IonicContact OE1-CD2 3.8Å; E210-H212 IonicContact OE1-CE1 2.74Å; E210-H212 IonicContact OE1-NE2 2.78Å; E210-H212 PolarHBondContact OE1-NE2 3.1Å
211	L	97.8	Very high	93.1	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.9	174.1	-178.6	146.4	0	0	0	109.5	V139 V141 L167 Q168 C169 V170 L192 I196 C213	V139-L211 HydrophobicContact CG2-CD1 4.05Å; V141-L211 HydrophobicContact CG2-CD1 3.97Å; L167-L211 HydrophobicContact CD1-CB 4.46Å; L167-L211 HydrophobicContact CD2-CB 3.97Å; L167-L211 HydrophobicContact CD2-CD1 4.11Å; L167-L211 HydrophobicContact CG-CB 4.32Å; Q168-L211 PolarHBondContact O-N 3.08Å; C169-L211 CarbonylContact C-O 3.57Å; C169-L211 VanDerWaalsContact CA-O 3.32Å; C169-L211 WeakPolarHBondContact CA-O 3.29Å; C169-L211 HydrophobicContact CB-CB 4.36Å; C169-L211 HydrophobicContact CB-CD2 4.21Å; V170-L211 PolarHBondContact N-O 3.01Å; L192-L211 HydrophobicContact CB-CD2 4.1Å; I196-L211 HydrophobicContact CD1-CB 3.91Å; I196-L211 HydrophobicContact CD1-CD1 3.93Å; I196-L211 HydrophobicContact CD1-CG 4.21Å; L211-C213 HydrophobicContact CD2-CB 3.9Å; L211-C213 PolarHBondContact O-N 2.9Å
212	H	97.4	Very high	93.8	Very high	80 Å²	80	54 Å²	54	37%	0.37	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	105.6	170.2	-76.7	-111.6	0	0	0	108	G194 T195 T197 E210	G194-H212 CarbonylContact C-O 3.57Å; G194-H212 WeakPolarHBondContact CA-O 3.3Å; T195-H212 PolarHBondContact N-O 2.8Å; T195-H212 PolarHBondContact O-N 3.42Å; T197-H212 PolarHBondContact OG1-CD2 2.8Å; T197-H212 PolarHBondContact OG1-NE2 3.31Å; E210-H212 IonicContact OE1-CD2 3.8Å; E210-H212 IonicContact OE1-CE1 2.74Å; E210-H212 IonicContact OE1-NE2 2.78Å; E210-H212 PolarHBondContact OE1-NE2 3.1Å
213	C	97.9	Very high	94.3	Very high	15 Å²	15	54.9 Å²	54.9	10%	0.101	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.8	-171.6	-170.1	0	0	0	0	110.5	V170 L171 L175 Y193 L211 F215	V170-C213 WeakPolarHBondContact O-CB 3.4Å; V170-C213 PolarHBondContact O-N 3.49Å; L171-C213 HydrophobicContact CD1-CB 3.82Å; L171-C213 HydrophobicContact CG-CB 3.73Å; L175-C213 HydrophobicContact CD1-CB 4.13Å; L175-C213 WeakPolarHBondContact CD1-O 3.09Å; Y193-C213 CarbonylContact O-C 3.36Å; Y193-C213 WeakPolarHBondContact O-CA 3.5Å; Y193-C213 PolarHBondContact O-SG 3.03Å; L211-C213 HydrophobicContact CD2-CB 3.9Å; L211-C213 PolarHBondContact O-N 2.9Å; C213-F215 PolarHBondContact SG-O 3.28Å
214	D	97.8	Very high	94.3	Very high	46 Å²	46	51.1 Å²	51.1	25%	0.246	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-25.6	173	59.3	57.5	0	0	0	112.2	L120 R138 Y193 G194	L120-D214 HydrophobicContact CD1-CB 4.11Å; R138-D214 IonicContact CZ-OD1 3.41Å; R138-D214 IonicContact CZ-OD2 3.84Å; R138-D214 IonicContact NE-OD1 3.22Å; R138-D214 PolarHBondContact NE-OD1 2.89Å; R138-D214 IonicContact NE-OD2 2.88Å; R138-D214 PolarHBondContact NE-OD2 3.05Å; R138-D214 IonicContact NH2-OD1 2.72Å; R138-D214 PolarHBondContact NH2-OD1 3.38Å; R138-D214 IonicContact NH2-OD2 3.88Å; Y193-D214 PolarHBondContact O-N 3.16Å; G194-D214 WeakPolarHBondContact CA-OD2 3.4Å
215	F	98.1	Very high	94.1	Very high	25 Å²	25	43.6 Å²	43.6	11%	0.11	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	151.6	176.7	174.9	-105.8	0	0	0	110.3	I114 N116 Y193 C213 E217	I114-F215 HydrophobicContact CD1-CD2 4.31Å; I114-F215 HydrophobicContact CD1-CE2 4.32Å; I114-F215 HydrophobicContact CG1-CD2 4.29Å; I114-F215 HydrophobicContact CG1-CE2 4.12Å; N116-F215 HydrophobicContact CB-CB 4.45Å; N116-F215 HydrophobicContact CB-CD1 3.75Å; N116-F215 HydrophobicContact CB-CD2 4.13Å; N116-F215 HydrophobicContact CB-CE1 3.97Å; N116-F215 HydrophobicContact CB-CE2 4.32Å; N116-F215 HydrophobicContact CB-CG 3.84Å; N116-F215 HydrophobicContact CB-CZ 4.25Å; Y193-F215 WeakPolarHBondContact CA-O 3.43Å; Y193-F215 VanDerWaalsContact CB-O 3.31Å; Y193-F215 WeakPolarHBondContact CB-O 3.47Å; Y193-F215 HydrophobicContact CD1-CD1 4.33Å; Y193-F215 AromaticContact CD2-CD1 3.51Å; Y193-F215 HydrophobicContact CD2-CD1 3.51Å; Y193-F215 HydrophobicContact CD2-CE1 4.14Å; Y193-F215 HydrophobicContact CD2-CG 4.48Å; Y193-F215 AromaticContact CE2-CD1 3.7Å; Y193-F215 HydrophobicContact CE2-CD1 3.7Å; Y193-F215 AromaticContact CE2-CE1 3.85Å; Y193-F215 HydrophobicContact CE2-CE1 3.85Å; Y193-F215 HydrophobicContact CG-CB 4.49Å; Y193-F215 AromaticContact CG-CD1 3.86Å; Y193-F215 HydrophobicContact CG-CD1 3.86Å; Y193-F215 PolarHBondContact N-O 3.15Å; Y193-F215 PolarHBondContact O-N 2.87Å; C213-F215 PolarHBondContact SG-O 3.28Å; F215-E217 HydrophobicContact CE1-CG 3.52Å; F215-E217 HydrophobicContact CZ-CG 3.77Å
216	W	98.3	Very high	94.1	Very high	5 Å²	5	43.3 Å²	43.3	2%	0.019	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	158.4	173.6	70.7	-75	0	0	0	113.8	I114 L171 L175 N180 L184 V190 A191 L192 L218	I114-W216 HydrophobicContact CD1-CG 4.41Å; I114-W216 WeakPolarHBondContact CD1-O 3.3Å; L171-W216 HydrophobicContact CD2-CD2 4.14Å; L171-W216 HydrophobicContact CD2-CG 3.94Å; L175-W216 PolarHBondContact O-NE1 3.46Å; N180-W216 HydrophobicContact CB-CH2 3.6Å; N180-W216 HydrophobicContact CB-CZ2 3.92Å; N180-W216 HydrophobicContact CB-CZ3 4.4Å; L184-W216 HydrophobicContact CB-CH2 4.36Å; L184-W216 HydrophobicContact CD1-CH2 4.18Å; L184-W216 HydrophobicContact CD1-CZ3 4.04Å; L184-W216 HydrophobicContact CD2-CH2 4.11Å; L184-W216 HydrophobicContact CD2-CZ3 4.29Å; L184-W216 HydrophobicContact CG-CH2 4.46Å; V190-W216 HydrophobicContact CB-CE3 4.29Å; V190-W216 HydrophobicContact CG1-CE3 3.95Å; V190-W216 HydrophobicContact CG1-CZ3 3.8Å; A191-W216 CarbonylContact O-C 3.53Å; A191-W216 WeakPolarHBondContact O-CA 3.46Å; A191-W216 WeakPolarHBondContact O-CB 3.47Å; L192-W216 HydrophobicContact CD2-CB 3.48Å; L192-W216 VanDerWaalsContact CD2-CB 3.48Å; L192-W216 HydrophobicContact CD2-CG 4.11Å; W216-L218 HydrophobicContact CH2-CB 4.44Å; W216-L218 HydrophobicContact CZ3-CB 3.83Å; W216-L218 HydrophobicContact CZ3-CD1 4.45Å
217	E	98	Very high	94.1	Very high	79 Å²	79	41.6 Å²	41.6	37%	0.369	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133	-179.8	-55.6	173.7	108	0	0	109.6	K140 V190 A191 Y193 F215 V219	K140-E217 IonicContact NZ-OE2 3.59Å; V190-E217 CarbonylContact C-O 3.59Å; V190-E217 VanDerWaalsContact CA-O 3.24Å; V190-E217 WeakPolarHBondContact CA-O 3.47Å; V190-E217 WeakPolarHBondContact CB-O 3.36Å; A191-E217 HydrophobicContact CB-CB 4.23Å; A191-E217 PolarHBondContact N-O 3.01Å; A191-E217 PolarHBondContact O-N 2.97Å; Y193-E217 HydrophobicContact CE2-CG 4.11Å; Y193-E217 VanDerWaalsContact CE2-OE2 3.27Å; Y193-E217 WeakPolarHBondContact CE2-OE2 3.47Å; Y193-E217 PolarHBondContact OH-OE2 2.98Å; F215-E217 HydrophobicContact CE1-CG 3.52Å; F215-E217 HydrophobicContact CZ-CG 3.77Å; E217-V219 PolarHBondContact O-N 3.31Å
218	L	98.1	Very high	93.9	Very high	39 Å²	39	44.7 Å²	44.7	20%	0.204	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	111.2	167.3	179.3	60.1	0	0	0	108.4	N180 L184 V190 W216 L221	N180-L218 HydrophobicContact CB-CB 4.26Å; N180-L218 HydrophobicContact CB-CD2 4.17Å; L184-L218 HydrophobicContact CD1-CD1 3.91Å; V190-L218 HydrophobicContact CG1-CD1 4.17Å; W216-L218 HydrophobicContact CH2-CB 4.44Å; W216-L218 HydrophobicContact CZ3-CB 3.83Å; W216-L218 HydrophobicContact CZ3-CD1 4.45Å; L218-L221 HydrophobicContact CD2-CB 4.17Å; L218-L221 HydrophobicContact CD2-CD1 4.22Å
219	V	98.1	Very high	93.5	Very high	90 Å²	90	48.7 Å²	48.7	55%	0.545	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-45.6	178.8	-179.9	0	0	0	0	110.4	F142 T189 A191 E217	F142-V219 HydrophobicContact CE1-CG2 4.49Å; T189-V219 HydrophobicContact CG2-CB 4.01Å; T189-V219 HydrophobicContact CG2-CG1 4.24Å; T189-V219 WeakPolarHBondContact O-CB 3.44Å; T189-V219 PolarHBondContact O-N 3.11Å; A191-V219 HydrophobicContact CB-CG2 4.49Å; E217-V219 PolarHBondContact O-N 3.31Å
220	G	97.6	Very high	92.9	Very high	30 Å²	30	52.4 Å²	52.4	31%	0.309	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	120.4	-179.9	0	0	0	0	0	111.3	S188 T189	S188-G220 CarbonylContact C-O 3.54Å; S188-G220 WeakPolarHBondContact CA-O 3.36Å; T189-G220 PolarHBondContact N-O 3.04Å; T189-G220 PolarHBondContact O-N 3.02Å; T189-G220 VanDerWaalsContact O-N 3.14Å
221	L	97.5	Very high	92.3	Very high	91 Å²	91	52.1 Å²	52.1	48%	0.476	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-76.2	131.8	177.5	-173.4	62.6	0	0	0	110.5	L183 L218	L183-L221 HydrophobicContact CB-CD1 4.42Å; L183-L221 HydrophobicContact CB-CD2 4.42Å; L183-L221 HydrophobicContact CD1-CD2 4.46Å; L218-L221 HydrophobicContact CD2-CB 4.17Å; L218-L221 HydrophobicContact CD2-CD1 4.22Å
222	A	96.4	Very high	91.4	Very high	17 Å²	17	56.6 Å²	56.6	14%	0.14	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-90.2	155.7	169.7	0	0	0	0	0	111.3	S185 T186 E187 S188	S185-A222 PolarHBondContact OG-O 2.91Å; T186-A222 VanDerWaalsContact O-CB 3.28Å; T186-A222 WeakPolarHBondContact O-CB 3.45Å; E187-A222 HydrophobicContact CB-CB 3.99Å; S188-A222 PolarHBondContact OG-N 3.48Å
223	P	93.5	Very high	90.1	Very high	104 Å²	104	62.2 Å²	62.2	68%	0.675	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-52.4	151.6	171.9	-25.9	35.3	0	0	0	112.4	G225 G226	P223-G225 PolarHBondContact O-N 3.25Å; P223-G226 PolarHBondContact O-N 3.08Å; P223-G226 VanDerWaalsContact O-N 3.1Å
224	A	86.4	Confident	89.3	Confident	71 Å²	71	70.2 Å²	70.2	59%	0.587	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	143.3	173.1	0	0	0	0	0	109.9	G226 N229	A224-G226 PolarHBondContact O-N 3.09Å; A224-N229 PolarHBondContact O-ND2 3.48Å
225	G	81.5	Confident	88.7	Confident	33 Å²	33	69 Å²	69	34%	0.34	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	-9.7	-176.5	0	0	0	0	0	115.9	P223 A227 D228	P223-G225 PolarHBondContact O-N 3.25Å; G225-A227 PolarHBondContact O-N 2.89Å; G225-D228 PolarHBondContact O-N 3.47Å
226	G	86.8	Confident	88.3	Confident	10 Å²	10	72.6 Å²	72.6	10%	0.103	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	56.7	-136.2	174.8	0	0	0	0	0	113.1	P223 A224 D228	P223-G226 PolarHBondContact O-N 3.08Å; P223-G226 VanDerWaalsContact O-N 3.1Å; A224-G226 PolarHBondContact O-N 3.09Å; G226-D228 VanDerWaalsContact C-N 3.31Å
227	A	84.1	Confident	87.9	Confident	17 Å²	17	74.7 Å²	74.7	14%	0.14	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-68.8	-28	178.1	0	0	0	0	0	113.2	E187 G225 N229 L230 L231 M246	E187-A227 HydrophobicContact CG-CB 4.1Å; G225-A227 PolarHBondContact O-N 2.89Å; A227-N229 PolarHBondContact O-N 3.02Å; A227-L230 PolarHBondContact O-N 2.96Å; A227-L231 PolarHBondContact O-N 3.21Å; A227-M246 HydrophobicContact CB-CE 3.86Å
228	D	82.8	Confident	87.5	Confident	121 Å²	121	75.2 Å²	75.2	65%	0.647	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-67.8	-21	-174.4	-58	-20.4	0	0	0	112.5	G225 G226 L230 L231	G225-D228 PolarHBondContact O-N 3.47Å; G226-D228 VanDerWaalsContact C-N 3.31Å; D228-L230 VanDerWaalsContact C-N 3.28Å; D228-L231 CarbonylContact C-O 3.56Å; D228-L231 VanDerWaalsContact CA-O 3.28Å; D228-L231 WeakPolarHBondContact CA-O 3.31Å
229	N	82.4	Confident	87.3	Confident	119 Å²	119	76.2 Å²	76.2	64%	0.636	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-73.2	-20.3	172.9	-87.6	9.7	0	0	0	113.6	A224 A227	A224-N229 PolarHBondContact O-ND2 3.48Å; A227-N229 PolarHBondContact O-N 3.02Å
230	L	83.1	Confident	87	Confident	86 Å²	86	74.9 Å²	74.9	45%	0.45	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-32.6	178	-64.3	170.7	0	0	0	111.5	A227 D228 M246	A227-L230 PolarHBondContact O-N 2.96Å; D228-L230 VanDerWaalsContact C-N 3.28Å; L230-M246 HydrophobicContact CD1-CG 3.85Å
231	L	84.6	Confident	86.8	Confident	16 Å²	16	73.6 Å²	73.6	8%	0.084	41%	0.414	C	S	.	.			trans	-140.2	131.6	-171.8	-70.2	173.7	0	0	0	110.6	A227 D228 V239 Q240 N243 M246 L247	A227-L231 PolarHBondContact O-N 3.21Å; D228-L231 CarbonylContact C-O 3.56Å; D228-L231 VanDerWaalsContact CA-O 3.28Å; D228-L231 WeakPolarHBondContact CA-O 3.31Å; L231-V239 HydrophobicContact CD2-CG1 4.2Å; L231-Q240 HydrophobicContact CD2-CB 4.44Å; L231-Q240 HydrophobicContact CD2-CG 4.22Å; L231-N243 HydrophobicContact CD1-CB 3.79Å; L231-N243 HydrophobicContact CD2-CB 3.95Å; L231-N243 HydrophobicContact CG-CB 3.9Å; L231-M246 HydrophobicContact CD1-CB 4.21Å; L231-L247 HydrophobicContact CD1-CB 3.89Å; L231-L247 HydrophobicContact CD1-CD1 4.18Å
232	N	79.4	Confident	86.6	Confident	95 Å²	95	72.9 Å²	72.9	51%	0.508	41%	0.411	S	S	.	.			trans	-131.2	172.4	169	61.7	32.5	0	0	0	109.9	E234 S235	N232-E234 PolarHBondContact O-N 3.25Å; N232-E234 VanDerWaalsContact O-N 3.17Å; N232-E234 PolarHBondContact OD1-N 3.37Å; N232-S235 PolarHBondContact N-OG 3.47Å; N232-S235 VanDerWaalsContact O-CB 3.24Å; N232-S235 WeakPolarHBondContact O-CB 3.44Å; N232-S235 PolarHBondContact O-N 2.67Å; N232-S235 PolarHBondContact O-OG 3.38Å; N232-S235 VanDerWaalsContact O-OG 3.09Å; N232-S235 PolarHBondContact OD1-N 2.95Å; N232-S235 PolarHBondContact OD1-OG 3.41Å
233	E	70.1	Confident	86.6	Confident	198 Å²	198	73.8 Å²	73.8	93%	0.925	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.1	-177.4	-63.2	-176.9	169.5	0	0	113.2
234	E	79.9	Confident	86.7	Confident	183 Å²	183	69 Å²	69	86%	0.855	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-0.4	179.7	-60.3	-179.5	174.6	0	0	113.1	N232 D236	N232-E234 PolarHBondContact O-N 3.25Å; N232-E234 VanDerWaalsContact O-N 3.17Å; N232-E234 PolarHBondContact OD1-N 3.37Å; E234-D236 PolarHBondContact O-N 2.79Å
235	S	85.6	Confident	87.2	Confident	21 Å²	21	69.3 Å²	69.3	15%	0.147	37%	0.371	C	S	.	.			trans	-64.7	135.3	-177.3	-66.7	0	0	0	0	110.2	N232 Q240	N232-S235 PolarHBondContact N-OG 3.47Å; N232-S235 VanDerWaalsContact O-CB 3.24Å; N232-S235 WeakPolarHBondContact O-CB 3.44Å; N232-S235 PolarHBondContact O-N 2.67Å; N232-S235 PolarHBondContact O-OG 3.38Å; N232-S235 VanDerWaalsContact O-OG 3.09Å; N232-S235 PolarHBondContact OD1-N 2.95Å; N232-S235 PolarHBondContact OD1-OG 3.41Å; S235-Q240 PolarHBondContact O-NE2 3.06Å
236	D	90.4	Very high	87.8	Confident	99 Å²	99	68.9 Å²	68.9	53%	0.529	36%	0.36	S	S	.	.			trans	-56.7	149.6	175.6	-177.2	-92.8	0	0	0	111.3	E234 D238 V239 Q240	E234-D236 PolarHBondContact O-N 2.79Å; D236-D238 PolarHBondContact O-N 2.86Å; D236-D238 WeakPolarHBondContact OD1-CB 3.36Å; D236-D238 PolarHBondContact OD1-N 3.39Å; D236-V239 HydrophobicContact CB-CG2 4.25Å; D236-V239 WeakPolarHBondContact O-CA 3.49Å; D236-V239 WeakPolarHBondContact O-CB 3.47Å; D236-V239 PolarHBondContact O-N 3.31Å; D236-Q240 WeakPolarHBondContact O-CG 3.42Å; D236-Q240 PolarHBondContact O-N 2.81Å
237	V	90	Very high	88.1	Confident	49 Å²	49	70.3 Å²	70.3	30%	0.297	37%	0.365	S	S	.	.	H	α-helix	trans	-51.6	-43.3	179.9	170.1	0	0	0	0	112	V239 Q240 L241 R545	V237-V239 VanDerWaalsContact C-N 3.31Å; V237-V239 PolarHBondContact O-N 2.93Å; V237-Q240 PolarHBondContact O-N 3.16Å; V237-L241 HydrophobicContact CG1-CD1 3.87Å; V237-L241 HydrophobicContact CG1-CG 4.31Å; V237-L241 WeakPolarHBondContact O-CB 3.26Å; V237-L241 VanDerWaalsContact O-CG 3.25Å; V237-L241 WeakPolarHBondContact O-CG 3.3Å; V237-L241 PolarHBondContact O-N 3.46Å; V237-R545 VanDerWaalsContact CG2-NH2 3.34Å
238	D	90.2	Very high	88.7	Confident	91 Å²	91	71.3 Å²	71.3	49%	0.487	37%	0.368	S	S	.	.	H	α-helix	trans	-67.8	-34.6	-179	-79	-25.8	0	0	0	111.7	D236 L241 N242	D236-D238 PolarHBondContact O-N 2.86Å; D236-D238 WeakPolarHBondContact OD1-CB 3.36Å; D236-D238 PolarHBondContact OD1-N 3.39Å; D238-L241 PolarHBondContact O-N 3.06Å; D238-N242 VanDerWaalsContact O-CB 3.29Å; D238-N242 WeakPolarHBondContact O-CB 3.38Å; D238-N242 PolarHBondContact O-N 3.05Å; D238-N242 PolarHBondContact O-ND2 3.05Å; D238-N242 VanDerWaalsContact O-ND2 3.11Å
239	V	92.7	Very high	89.3	Confident	60 Å²	60	69.7 Å²	69.7	36%	0.364	35%	0.353	S	S	.	.	H	α-helix	trans	-66.9	-44.4	174.3	179.5	0	0	0	0	110.5	L231 D236 V237 L241 N242 N243	L231-V239 HydrophobicContact CD2-CG1 4.2Å; D236-V239 HydrophobicContact CB-CG2 4.25Å; D236-V239 WeakPolarHBondContact O-CA 3.49Å; D236-V239 WeakPolarHBondContact O-CB 3.47Å; D236-V239 PolarHBondContact O-N 3.31Å; V237-V239 VanDerWaalsContact C-N 3.31Å; V237-V239 PolarHBondContact O-N 2.93Å; V239-L241 VanDerWaalsContact C-N 3.33Å; V239-L241 PolarHBondContact O-N 3.16Å; V239-N242 PolarHBondContact O-N 2.9Å; V239-N243 PolarHBondContact O-N 2.97Å; V239-N243 PolarHBondContact O-ND2 2.74Å
240	Q	92.3	Very high	89.7	Confident	61 Å²	61	65.3 Å²	65.3	29%	0.285	34%	0.336	S	S	.	.	H	α-helix	trans	-58.8	-45.1	175	-67.9	-174.3	39.7	0	0	111.8	L231 S235 D236 V237 N243 R244 L247	L231-Q240 HydrophobicContact CD2-CB 4.44Å; L231-Q240 HydrophobicContact CD2-CG 4.22Å; S235-Q240 PolarHBondContact O-NE2 3.06Å; D236-Q240 WeakPolarHBondContact O-CG 3.42Å; D236-Q240 PolarHBondContact O-N 2.81Å; V237-Q240 PolarHBondContact O-N 3.16Å; Q240-N243 CarbonylContact O-C 3.58Å; Q240-N243 PolarHBondContact O-N 2.85Å; Q240-R244 WeakPolarHBondContact O-CA 3.34Å; Q240-R244 PolarHBondContact O-N 2.91Å; Q240-R244 VanDerWaalsContact O-N 3.09Å; Q240-L247 HydrophobicContact CB-CD2 4.46Å
241	L	93.3	Very high	90.1	Very high	4 Å²	4	64 Å²	64	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-69.5	-45.2	179.3	-66.2	173.3	0	0	0	111.2	V237 D238 V239 N243 R244 P551 F553 R556	V237-L241 HydrophobicContact CG1-CD1 3.87Å; V237-L241 HydrophobicContact CG1-CG 4.31Å; V237-L241 WeakPolarHBondContact O-CB 3.26Å; V237-L241 VanDerWaalsContact O-CG 3.25Å; V237-L241 WeakPolarHBondContact O-CG 3.3Å; V237-L241 PolarHBondContact O-N 3.46Å; D238-L241 PolarHBondContact O-N 3.06Å; V239-L241 VanDerWaalsContact C-N 3.33Å; V239-L241 PolarHBondContact O-N 3.16Å; L241-N243 PolarHBondContact O-N 3.13Å; L241-R244 WeakPolarHBondContact O-CB 3.17Å; L241-R244 PolarHBondContact O-N 3.3Å; L241-P551 HydrophobicContact CD2-CG 4.07Å; L241-F553 HydrophobicContact CD1-CE1 4.27Å; L241-F553 HydrophobicContact CD1-CZ 3.81Å; L241-R556 VanDerWaalsContact CB-NH1 3.29Å; L241-R556 PolarHBondContact O-NH2 2.83Å
242	N	94.3	Very high	90.4	Very high	76 Å²	76	68 Å²	68	41%	0.406	35%	0.348	S	S	.	.	H	α-helix	trans	-58.2	-31	177.1	-72.1	-22.8	0	0	0	112.8	D238 V239 R556	D238-N242 VanDerWaalsContact O-CB 3.29Å; D238-N242 WeakPolarHBondContact O-CB 3.38Å; D238-N242 PolarHBondContact O-N 3.05Å; D238-N242 PolarHBondContact O-ND2 3.05Å; D238-N242 VanDerWaalsContact O-ND2 3.11Å; V239-N242 PolarHBondContact O-N 2.9Å; N242-R556 PolarHBondContact OD1-NH1 3.07Å
243	N	95.3	Very high	91.1	Very high	36 Å²	36	64.5 Å²	64.5	19%	0.193	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	25.9	176.1	-61.3	-74.6	0	0	0	112.4	L231 V239 Q240 L241 H245 M246 L247	L231-N243 HydrophobicContact CD1-CB 3.79Å; L231-N243 HydrophobicContact CD2-CB 3.95Å; L231-N243 HydrophobicContact CG-CB 3.9Å; V239-N243 PolarHBondContact O-N 2.97Å; V239-N243 PolarHBondContact O-ND2 2.74Å; Q240-N243 CarbonylContact O-C 3.58Å; Q240-N243 PolarHBondContact O-N 2.85Å; L241-N243 PolarHBondContact O-N 3.13Å; N243-H245 PolarHBondContact O-N 2.84Å; N243-H245 VanDerWaalsContact O-N 3.09Å; N243-M246 WeakPolarHBondContact O-CA 3.39Å; N243-M246 WeakPolarHBondContact O-CB 3.27Å; N243-M246 PolarHBondContact O-N 2.84Å; N243-L247 PolarHBondContact O-N 3.48Å
244	R	95.8	Very high	92.3	Very high	3 Å²	3	56.4 Å²	56.4	1%	0.011	30%	0.296	C	S	.	.	H	α-helix	trans	-59.5	-29.1	-176.2	-170.3	154.8	-176.5	94.6	3.8	112.7	Q240 L241 M246 L247 I248 R545 D546 C548 L549 Y550	Q240-R244 WeakPolarHBondContact O-CA 3.34Å; Q240-R244 PolarHBondContact O-N 2.91Å; Q240-R244 VanDerWaalsContact O-N 3.09Å; L241-R244 WeakPolarHBondContact O-CB 3.17Å; L241-R244 PolarHBondContact O-N 3.3Å; R244-M246 PolarHBondContact O-N 3.14Å; R244-L247 PolarHBondContact O-N 3.26Å; R244-L247 VanDerWaalsContact O-N 3.14Å; R244-I248 HydrophobicContact CG-CG2 4.14Å; R244-I248 WeakPolarHBondContact O-CG1 3.28Å; R244-I248 VanDerWaalsContact O-CG2 3.31Å; R244-I248 WeakPolarHBondContact O-CG2 3.28Å; R244-I248 PolarHBondContact O-N 3.25Å; R244-R545 PolarHBondContact NH2-O 3.11Å; R244-R545 VanDerWaalsContact NH2-O 3.07Å; R244-D546 PolarHBondContact NH2-O 2.9Å; R244-C548 PolarHBondContact NE-O 3.33Å; R244-C548 PolarHBondContact NH2-O 3.14Å; R244-L549 WeakPolarHBondContact CD-O 3.36Å; R244-L549 PolarHBondContact NE-O 3.37Å; R244-Y550 HydrophobicContact CB-CD1 4.11Å; R244-Y550 HydrophobicContact CB-CE1 4.04Å; R244-Y550 HydrophobicContact CG-CD1 4.12Å; R244-Y550 HydrophobicContact CG-CE1 4.2Å
245	H	96.4	Very high	93.1	Very high	77 Å²	77	48.7 Å²	48.7	36%	0.356	26%	0.26	S	S	.	.	H	α-helix	trans	-59.5	-26.5	171.9	67	-80.9	0	0	0	114.4	N243 I248 Y550	N243-H245 PolarHBondContact O-N 2.84Å; N243-H245 VanDerWaalsContact O-N 3.09Å; H245-I248 WeakPolarHBondContact O-CG1 3.24Å; H245-Y550 HydrophobicContact CB-CE1 4.41Å; H245-Y550 WeakPolarHBondContact CB-OH 3.48Å
246	M	95.1	Very high	93.7	Very high	24 Å²	24	48 Å²	48	12%	0.118	25%	0.254	C	S	.	.	H	α-helix	trans	-89.5	-39.7	169.5	-64.4	-54.1	-66.5	0	0	111.3	E187 A227 L230 L231 N243 R244 I248 R249	E187-M246 HydrophobicContact CG-CE 4.3Å; A227-M246 HydrophobicContact CB-CE 3.86Å; L230-M246 HydrophobicContact CD1-CG 3.85Å; L231-M246 HydrophobicContact CD1-CB 4.21Å; N243-M246 WeakPolarHBondContact O-CA 3.39Å; N243-M246 WeakPolarHBondContact O-CB 3.27Å; N243-M246 PolarHBondContact O-N 2.84Å; R244-M246 PolarHBondContact O-N 3.14Å; M246-I248 VanDerWaalsContact C-N 3.3Å; M246-I248 PolarHBondContact O-N 2.85Å; M246-R249 WeakPolarHBondContact O-CB 3.48Å; M246-R249 WeakPolarHBondContact O-CG 2.95Å; M246-R249 PolarHBondContact O-N 2.98Å
247	L	93.1	Very high	94	Very high	40 Å²	40	45.1 Å²	45.1	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-58	-39.4	179.2	-169.9	68.7	0	0	0	112.8	L231 Q240 N243 R244 R249 G250 V253	L231-L247 HydrophobicContact CD1-CB 3.89Å; L231-L247 HydrophobicContact CD1-CD1 4.18Å; Q240-L247 HydrophobicContact CB-CD2 4.46Å; N243-L247 PolarHBondContact O-N 3.48Å; R244-L247 PolarHBondContact O-N 3.26Å; R244-L247 VanDerWaalsContact O-N 3.14Å; L247-R249 PolarHBondContact O-N 3.46Å; L247-R249 VanDerWaalsContact O-N 3.08Å; L247-G250 PolarHBondContact O-N 3.19Å; L247-V253 HydrophobicContact CD2-CG2 4.39Å; L247-V253 HydrophobicContact CG-CG2 4.03Å
248	I	95.6	Very high	94.4	Very high	38 Å²	38	47.8 Å²	47.8	20%	0.195	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.4	177.9	61.8	173.2	0	0	0	113.6	R244 H245 M246 G250 V253 S254 L257 L549	R244-I248 HydrophobicContact CG-CG2 4.14Å; R244-I248 WeakPolarHBondContact O-CG1 3.28Å; R244-I248 VanDerWaalsContact O-CG2 3.31Å; R244-I248 WeakPolarHBondContact O-CG2 3.28Å; R244-I248 PolarHBondContact O-N 3.25Å; H245-I248 WeakPolarHBondContact O-CG1 3.24Å; M246-I248 VanDerWaalsContact C-N 3.3Å; M246-I248 PolarHBondContact O-N 2.85Å; I248-G250 VanDerWaalsContact C-N 3.3Å; I248-V253 HydrophobicContact CB-CG1 4.29Å; I248-V253 HydrophobicContact CG2-CG1 3.83Å; I248-S254 WeakPolarHBondContact O-CB 3.41Å; I248-L257 HydrophobicContact CB-CD1 4.13Å; I248-L257 HydrophobicContact CG2-CD1 3.86Å; I248-L549 HydrophobicContact CD1-CD1 4.06Å; I248-L549 HydrophobicContact CG2-CD1 4.25Å
249	R	95.1	Very high	94.8	Very high	88 Å²	88	43.5 Å²	43.5	33%	0.332	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-14.4	175.7	-55.3	-173.6	179.9	-156.9	0.8	112.8	R161 E187 M246 L247	R161-R249 PolarHBondContact NH1-O 3.03Å; R161-R249 VanDerWaalsContact NH1-O 3.08Å; E187-R249 WeakPolarHBondContact OE2-CD 3.3Å; E187-R249 IonicContact OE2-CZ 2.81Å; E187-R249 IonicContact OE2-NE 3.74Å; E187-R249 IonicContact OE2-NH1 3.74Å; E187-R249 PolarHBondContact OE2-NH1 3.49Å; M246-R249 WeakPolarHBondContact O-CB 3.48Å; M246-R249 WeakPolarHBondContact O-CG 2.95Å; M246-R249 PolarHBondContact O-N 2.98Å; L247-R249 PolarHBondContact O-N 3.46Å; L247-R249 VanDerWaalsContact O-N 3.08Å
250	G	91.8	Very high	95.1	Very high	27 Å²	27	42.7 Å²	42.7	28%	0.278	21%	0.211	S	C	.	.	S	Bend	trans	-67.5	154.3	173.1	0	0	0	0	0	111.9	L247 I248 N252 S254	L247-G250 PolarHBondContact O-N 3.19Å; I248-G250 VanDerWaalsContact C-N 3.3Å; G250-N252 PolarHBondContact O-N 3.47Å; G250-S254 WeakPolarHBondContact O-CB 3.47Å; G250-S254 PolarHBondContact O-N 3.19Å; G250-S254 VanDerWaalsContact O-N 3.09Å; G250-S254 PolarHBondContact O-OG 3.29Å
251	E	91	Very high	95.4	Very high	58 Å²	58	43.6 Å²	43.6	27%	0.271	22%	0.224	S	C	.	.	H	α-helix	trans	-58.8	-52	-174.2	-173.1	174.9	169.2	0	0	111.7	R147 F166 S254 K255	R147-E251 IonicContact NH2-OE2 3.83Å; R147-E251 PolarHBondContact NH2-OE2 3.46Å; F166-E251 HydrophobicContact CE2-CG 4.03Å; F166-E251 HydrophobicContact CZ-CB 4.36Å; F166-E251 HydrophobicContact CZ-CG 4.07Å; E251-S254 PolarHBondContact O-OG 2.84Å; E251-K255 HydrophobicContact CG-CD 4.4Å; E251-K255 VanDerWaalsContact O-CG 3.29Å; E251-K255 WeakPolarHBondContact O-CG 3.45Å; E251-K255 PolarHBondContact O-N 2.9Å; E251-K255 VanDerWaalsContact O-N 3.08Å; E251-K255 WeakPolarHBondContact OE1-CE 3.14Å; E251-K255 IonicContact OE1-NZ 3.38Å; E251-K255 PolarHBondContact OE1-NZ 3.06Å
252	N	91.5	Very high	95.6	Very high	99 Å²	99	45.3 Å²	45.3	53%	0.529	23%	0.234	S	C	.	.	H	α-helix	trans	-64.4	-47.9	-176.3	-71.8	-12.9	0	0	0	113.3	G250 S254 K255 I256	G250-N252 PolarHBondContact O-N 3.47Å; N252-S254 PolarHBondContact O-N 3.13Å; N252-K255 PolarHBondContact O-N 3.41Å; N252-I256 WeakPolarHBondContact O-CG1 3.39Å; N252-I256 PolarHBondContact O-N 2.96Å
253	V	94.3	Very high	95.8	Very high	22 Å²	22	41.7 Å²	41.7	13%	0.133	22%	0.215	C	C	.	.	H	α-helix	trans	-68.9	-37.3	-176.7	-175.2	0	0	0	0	111.3	L247 I248 K255 I256 L257	L247-V253 HydrophobicContact CD2-CG2 4.39Å; L247-V253 HydrophobicContact CG-CG2 4.03Å; I248-V253 HydrophobicContact CB-CG1 4.29Å; I248-V253 HydrophobicContact CG2-CG1 3.83Å; V253-K255 PolarHBondContact O-N 2.99Å; V253-I256 PolarHBondContact O-N 3.21Å; V253-L257 WeakPolarHBondContact O-CG 3.22Å; V253-L257 PolarHBondContact O-N 2.77Å; V253-L257 VanDerWaalsContact O-N 3.09Å
254	S	95.5	Very high	96	Very high	29 Å²	29	41 Å²	41	20%	0.203	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-39.6	173.5	70.2	0	0	0	0	112.4	I248 G250 E251 N252 L257 R258	I248-S254 WeakPolarHBondContact O-CB 3.41Å; G250-S254 WeakPolarHBondContact O-CB 3.47Å; G250-S254 PolarHBondContact O-N 3.19Å; G250-S254 VanDerWaalsContact O-N 3.09Å; G250-S254 PolarHBondContact O-OG 3.29Å; E251-S254 PolarHBondContact O-OG 2.84Å; N252-S254 PolarHBondContact O-N 3.13Å; S254-L257 PolarHBondContact O-N 2.94Å; S254-R258 WeakPolarHBondContact O-CG 3.4Å; S254-R258 PolarHBondContact O-N 3.26Å
255	K	95.5	Very high	96.1	Very high	20 Å²	20	45.1 Å²	45.1	9%	0.087	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-45.7	173.6	-70.8	-179.4	-174.7	176.5	0	111.5	E251 N252 V253 L257 R258 V259 L384 D387 I388	E251-K255 HydrophobicContact CG-CD 4.4Å; E251-K255 VanDerWaalsContact O-CG 3.29Å; E251-K255 WeakPolarHBondContact O-CG 3.45Å; E251-K255 PolarHBondContact O-N 2.9Å; E251-K255 VanDerWaalsContact O-N 3.08Å; E251-K255 WeakPolarHBondContact OE1-CE 3.14Å; E251-K255 IonicContact OE1-NZ 3.38Å; E251-K255 PolarHBondContact OE1-NZ 3.06Å; N252-K255 PolarHBondContact O-N 3.41Å; V253-K255 PolarHBondContact O-N 2.99Å; K255-L257 VanDerWaalsContact C-N 3.33Å; K255-L257 PolarHBondContact O-N 3.32Å; K255-R258 PolarHBondContact O-N 2.93Å; K255-V259 WeakPolarHBondContact O-CG2 3.42Å; K255-V259 PolarHBondContact O-N 3.1Å; K255-L384 HydrophobicContact CD-CD2 4.36Å; K255-L384 HydrophobicContact CG-CD2 4.14Å; K255-D387 HydrophobicContact CD-CB 4.23Å; K255-D387 WeakPolarHBondContact CE-OD2 3.39Å; K255-D387 IonicContact NZ-OD2 3.66Å; K255-D387 PolarHBondContact NZ-OD2 3.13Å; K255-I388 HydrophobicContact CB-CD1 3.81Å; K255-I388 HydrophobicContact CB-CG1 4.41Å
256	I	97.8	Very high	96.3	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-55.8	-47.6	176.8	-68.6	167.6	0	0	0	110.9	N252 V253 R258 V259 R260 I388 L539 V547	N252-I256 WeakPolarHBondContact O-CG1 3.39Å; N252-I256 PolarHBondContact O-N 2.96Å; V253-I256 PolarHBondContact O-N 3.21Å; I256-R258 VanDerWaalsContact C-N 3.34Å; I256-R258 PolarHBondContact O-N 3.43Å; I256-V259 PolarHBondContact O-N 3.43Å; I256-R260 WeakPolarHBondContact O-CB 3.43Å; I256-R260 PolarHBondContact O-N 3.11Å; I256-I388 HydrophobicContact CG1-CD1 3.67Å; I256-L539 HydrophobicContact CB-CD1 4.3Å; I256-L539 HydrophobicContact CG1-CD1 4.19Å; I256-L539 HydrophobicContact CG2-CD1 3.91Å; I256-V547 HydrophobicContact CG2-CB 4.21Å; I256-V547 HydrophobicContact CG2-CG1 3.97Å
257	L	98.3	Very high	96.4	Very high	39 Å²	39	40.6 Å²	40.6	20%	0.204	21%	0.211	C	C	.	.	H	α-helix	trans	-66.4	-34.5	-179.9	-65.5	178.1	0	0	0	112.8	I248 V253 S254 K255 R260 S261 L549	I248-L257 HydrophobicContact CB-CD1 4.13Å; I248-L257 HydrophobicContact CG2-CD1 3.86Å; V253-L257 WeakPolarHBondContact O-CG 3.22Å; V253-L257 PolarHBondContact O-N 2.77Å; V253-L257 VanDerWaalsContact O-N 3.09Å; S254-L257 PolarHBondContact O-N 2.94Å; K255-L257 VanDerWaalsContact C-N 3.33Å; K255-L257 PolarHBondContact O-N 3.32Å; L257-R260 WeakPolarHBondContact O-CB 3.3Å; L257-R260 PolarHBondContact O-N 3.03Å; L257-S261 PolarHBondContact O-N 2.85Å; L257-L549 HydrophobicContact CD1-CD1 3.99Å
258	R	97.4	Very high	96.7	Very high	106 Å²	106	41.8 Å²	41.8	40%	0.4	21%	0.213	S	C	.	.	H	α-helix	trans	-67.4	-42.8	173.2	-70.7	174.5	68.7	175.6	5.2	112.1	S254 K255 I256 S261 T262 L384	S254-R258 WeakPolarHBondContact O-CG 3.4Å; S254-R258 PolarHBondContact O-N 3.26Å; K255-R258 PolarHBondContact O-N 2.93Å; I256-R258 VanDerWaalsContact C-N 3.34Å; I256-R258 PolarHBondContact O-N 3.43Å; R258-S261 PolarHBondContact O-N 3.45Å; R258-T262 PolarHBondContact O-N 3.17Å; R258-T262 VanDerWaalsContact O-N 3.1Å; R258-T262 PolarHBondContact O-OG1 3.36Å; R258-L384 HydrophobicContact CB-CD1 3.87Å
259	V	98.3	Very high	96.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.2	-46.2	174.2	175.9	0	0	0	0	109.8	K255 I256 S261 T262 V263 A381 L384 L538 L539	K255-V259 WeakPolarHBondContact O-CG2 3.42Å; K255-V259 PolarHBondContact O-N 3.1Å; I256-V259 PolarHBondContact O-N 3.43Å; V259-S261 VanDerWaalsContact C-N 3.33Å; V259-S261 PolarHBondContact O-N 3.25Å; V259-T262 PolarHBondContact O-N 3.09Å; V259-V263 HydrophobicContact CG1-CG2 3.8Å; V259-V263 WeakPolarHBondContact O-CB 3.34Å; V259-V263 VanDerWaalsContact O-CG2 3.26Å; V259-V263 WeakPolarHBondContact O-CG2 3.36Å; V259-V263 PolarHBondContact O-N 3.07Å; V259-A381 HydrophobicContact CG2-CB 4.43Å; V259-L384 HydrophobicContact CG2-CB 3.65Å; V259-L538 HydrophobicContact CG1-CD2 4.36Å; V259-L539 HydrophobicContact CB-CD1 4.31Å; V259-L539 HydrophobicContact CB-CD2 4.31Å; V259-L539 HydrophobicContact CG1-CD1 4.23Å; V259-L539 HydrophobicContact CG1-CD2 3.93Å; V259-L539 HydrophobicContact CG1-CG 4.37Å; V259-L539 HydrophobicContact CG2-CD2 4.32Å
260	R	98.7	Very high	97.1	Very high	44 Å²	44	39 Å²	39	17%	0.166	21%	0.205	C	C	.	.	H	α-helix	trans	-51.4	-49.3	174	168.2	173.1	-175.7	122	8.8	112.8	I256 L257 T262 V263 T264 T347 E532 L535 V547	I256-R260 WeakPolarHBondContact O-CB 3.43Å; I256-R260 PolarHBondContact O-N 3.11Å; L257-R260 WeakPolarHBondContact O-CB 3.3Å; L257-R260 PolarHBondContact O-N 3.03Å; R260-T262 VanDerWaalsContact C-N 3.29Å; R260-T262 PolarHBondContact O-N 2.95Å; R260-V263 PolarHBondContact O-N 3.26Å; R260-T264 PolarHBondContact O-N 3.1Å; R260-T264 PolarHBondContact O-OG1 3.04Å; R260-T347 PolarHBondContact NH2-OG1 2.89Å; R260-E532 IonicContact CZ-OE1 3Å; R260-E532 IonicContact NH1-OE1 3.1Å; R260-E532 PolarHBondContact NH1-OE1 2.91Å; R260-E532 IonicContact NH2-OE1 3.21Å; R260-E532 PolarHBondContact NH2-OE1 3.18Å; R260-L535 HydrophobicContact CB-CD1 3.72Å; R260-L535 HydrophobicContact CB-CD2 4.2Å; R260-L535 HydrophobicContact CG-CD1 3.64Å; R260-V547 WeakPolarHBondContact CD-O 3.17Å; R260-V547 PolarHBondContact NH1-O 2.84Å
261	S	98.6	Very high	97.4	Very high	80 Å²	80	37.7 Å²	37.7	56%	0.559	19%	0.191	S	C	*	.	H	α-helix	trans	-58.9	-43.1	178.2	176.2	0	0	0	0	111.6	L257 R258 V259 T264 Q265	L257-S261 PolarHBondContact O-N 2.85Å; R258-S261 PolarHBondContact O-N 3.45Å; V259-S261 VanDerWaalsContact C-N 3.33Å; V259-S261 PolarHBondContact O-N 3.25Å; S261-T264 PolarHBondContact O-N 3.07Å; S261-Q265 PolarHBondContact O-N 3.32Å
262	T	98.6	Very high	97.8	Very high	39 Å²	39	39.6 Å²	39.6	24%	0.239	20%	0.199	C	C	.	.	H	α-helix	trans	-69.6	-44.5	179.9	-52.4	0	0	0	0	111.9	R258 V259 R260 T264 Q265 C266 S379 A381	R258-T262 PolarHBondContact O-N 3.17Å; R258-T262 VanDerWaalsContact O-N 3.1Å; R258-T262 PolarHBondContact O-OG1 3.36Å; V259-T262 PolarHBondContact O-N 3.09Å; R260-T262 VanDerWaalsContact C-N 3.29Å; R260-T262 PolarHBondContact O-N 2.95Å; T262-T264 VanDerWaalsContact C-N 3.28Å; T262-T264 PolarHBondContact O-N 2.87Å; T262-Q265 WeakPolarHBondContact O-CB 3.38Å; T262-Q265 PolarHBondContact O-N 3.35Å; T262-Q265 VanDerWaalsContact O-N 3.09Å; T262-C266 PolarHBondContact O-N 2.76Å; T262-C266 PolarHBondContact O-SG 3.2Å; T262-S379 WeakPolarHBondContact CG2-OG 3.5Å; T262-A381 HydrophobicContact CG2-CB 3.67Å
263	V	98.8	Very high	98.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.7	-44	175.6	169.5	0	0	0	0	110.6	V259 R260 Q265 C266 F267 V376 L531 F534 L535 L538	V259-V263 HydrophobicContact CG1-CG2 3.8Å; V259-V263 WeakPolarHBondContact O-CB 3.34Å; V259-V263 VanDerWaalsContact O-CG2 3.26Å; V259-V263 WeakPolarHBondContact O-CG2 3.36Å; V259-V263 PolarHBondContact O-N 3.07Å; R260-V263 PolarHBondContact O-N 3.26Å; V263-Q265 VanDerWaalsContact C-N 3.31Å; V263-Q265 PolarHBondContact O-N 2.88Å; V263-C266 WeakPolarHBondContact O-CB 3.34Å; V263-C266 PolarHBondContact O-N 3.25Å; V263-C266 VanDerWaalsContact O-N 3.15Å; V263-F267 HydrophobicContact CG1-CD2 3.83Å; V263-F267 HydrophobicContact CG1-CE2 3.63Å; V263-F267 VanDerWaalsContact O-CD2 3.27Å; V263-F267 WeakPolarHBondContact O-CD2 3.39Å; V263-F267 PolarHBondContact O-N 3.08Å; V263-V376 HydrophobicContact CB-CG2 4.38Å; V263-V376 HydrophobicContact CG2-CG1 4.38Å; V263-V376 HydrophobicContact CG2-CG2 3.72Å; V263-L531 HydrophobicContact CG1-CD1 4.01Å; V263-F534 HydrophobicContact CG1-CD1 3.96Å; V263-F534 HydrophobicContact CG1-CE1 3.84Å; V263-L535 HydrophobicContact CB-CD2 4.06Å; V263-L535 HydrophobicContact CG1-CD2 4.12Å; V263-L535 HydrophobicContact CG2-CD2 3.9Å; V263-L538 HydrophobicContact CG2-CD2 3.52Å
264	T	98.9	Very high	98.3	Very high	22 Å²	22	41 Å²	41	14%	0.135	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-40.2	177.8	-49.5	0	0	0	0	111.5	R260 S261 T262 F267 R268 I328	R260-T264 PolarHBondContact O-N 3.1Å; R260-T264 PolarHBondContact O-OG1 3.04Å; S261-T264 PolarHBondContact O-N 3.07Å; T262-T264 VanDerWaalsContact C-N 3.28Å; T262-T264 PolarHBondContact O-N 2.87Å; T264-F267 PolarHBondContact O-N 2.76Å; T264-R268 PolarHBondContact O-N 2.9Å; T264-I328 HydrophobicContact CG2-CD1 4.25Å; T264-I328 HydrophobicContact CG2-CG2 4.5Å
265	Q	98.9	Very high	98.5	Very high	89 Å²	89	42 Å²	42	42%	0.416	22%	0.221	S	C	.	.	H	α-helix	trans	-66.6	-42.1	173.9	-172.7	60.7	46.8	0	0	111.7	S261 T262 V263 F267 R268 D269	S261-Q265 PolarHBondContact O-N 3.32Å; T262-Q265 WeakPolarHBondContact O-CB 3.38Å; T262-Q265 PolarHBondContact O-N 3.35Å; T262-Q265 VanDerWaalsContact O-N 3.09Å; V263-Q265 VanDerWaalsContact C-N 3.31Å; V263-Q265 PolarHBondContact O-N 2.88Å; Q265-F267 VanDerWaalsContact C-N 3.28Å; Q265-F267 PolarHBondContact O-N 3.44Å; Q265-R268 WeakPolarHBondContact O-CB 3.48Å; Q265-R268 PolarHBondContact O-N 3.43Å; Q265-R268 VanDerWaalsContact O-N 3.08Å; Q265-D269 PolarHBondContact NE2-OD1 3Å; Q265-D269 VanDerWaalsContact O-CG 3.27Å; Q265-D269 PolarHBondContact O-N 3.07Å
266	C	98.9	Very high	98.6	Very high	7 Å²	7	41.5 Å²	41.5	5%	0.047	22%	0.219	C	C	.	.	H	α-helix	trans	-60.1	-36.4	176.8	-67.6	0	0	0	0	112.6	T262 V263 D269 H270 V372 R375 V376	T262-C266 PolarHBondContact O-N 2.76Å; T262-C266 PolarHBondContact O-SG 3.2Å; V263-C266 WeakPolarHBondContact O-CB 3.34Å; V263-C266 PolarHBondContact O-N 3.25Å; V263-C266 VanDerWaalsContact O-N 3.15Å; C266-D269 PolarHBondContact O-N 2.97Å; C266-H270 WeakPolarHBondContact O-CB 3.23Å; C266-H270 PolarHBondContact O-N 2.78Å; C266-V372 HydrophobicContact CB-CG1 4.11Å; C266-R375 HydrophobicContact CB-CB 3.89Å; C266-V376 HydrophobicContact CB-CG2 3.97Å
267	F	98.9	Very high	98.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.4	-48.7	171.1	-86.8	-73.1	0	0	0	111.7	V263 T264 Q265 D269 H270 F271 I328 I349 L368 V372 L529 L531 F534	V263-F267 HydrophobicContact CG1-CD2 3.83Å; V263-F267 HydrophobicContact CG1-CE2 3.63Å; V263-F267 VanDerWaalsContact O-CD2 3.27Å; V263-F267 WeakPolarHBondContact O-CD2 3.39Å; V263-F267 PolarHBondContact O-N 3.08Å; T264-F267 PolarHBondContact O-N 2.76Å; Q265-F267 VanDerWaalsContact C-N 3.28Å; Q265-F267 PolarHBondContact O-N 3.44Å; F267-D269 PolarHBondContact O-N 3.04Å; F267-H270 WeakPolarHBondContact O-CB 3.35Å; F267-H270 PolarHBondContact O-N 3.44Å; F267-F271 HydrophobicContact CD1-CE2 4.45Å; F267-F271 WeakPolarHBondContact O-CD2 3.4Å; F267-F271 PolarHBondContact O-N 2.98Å; F267-F271 VanDerWaalsContact O-N 3.14Å; F267-I328 HydrophobicContact CB-CD1 4.43Å; F267-I349 HydrophobicContact CB-CD1 4.06Å; F267-I349 HydrophobicContact CD1-CD1 3.93Å; F267-I349 HydrophobicContact CD1-CG2 4.39Å; F267-I349 HydrophobicContact CD2-CD1 3.58Å; F267-I349 HydrophobicContact CE1-CD1 4.28Å; F267-I349 HydrophobicContact CE2-CD1 3.95Å; F267-I349 HydrophobicContact CG-CD1 3.59Å; F267-I349 HydrophobicContact CZ-CD1 4.29Å; F267-L368 HydrophobicContact CD1-CD1 3.91Å; F267-L368 HydrophobicContact CE1-CD1 3.91Å; F267-L368 HydrophobicContact CE1-CD2 4.47Å; F267-L368 HydrophobicContact CE1-CG 4.18Å; F267-V372 HydrophobicContact CD1-CG1 4.27Å; F267-V372 HydrophobicContact CD1-CG2 3.7Å; F267-V372 HydrophobicContact CD2-CG1 3.92Å; F267-V372 HydrophobicContact CE1-CB 4.38Å; F267-V372 HydrophobicContact CE1-CG1 4.17Å; F267-V372 HydrophobicContact CE1-CG2 3.9Å; F267-V372 HydrophobicContact CE2-CG1 3.82Å; F267-V372 HydrophobicContact CG-CG1 4.13Å; F267-V372 HydrophobicContact CG-CG2 4.12Å; F267-V372 HydrophobicContact CZ-CG1 3.94Å; F267-V372 HydrophobicContact CZ-CG2 4.5Å; F267-L529 HydrophobicContact CE1-CD1 3.85Å; F267-L529 HydrophobicContact CE1-CD2 4.35Å; F267-L529 HydrophobicContact CE2-CD2 4.43Å; F267-L529 HydrophobicContact CZ-CD1 3.7Å; F267-L529 HydrophobicContact CZ-CD2 3.88Å; F267-L531 HydrophobicContact CD2-CD1 4.27Å; F267-L531 HydrophobicContact CE2-CD1 4.03Å; F267-F534 AromaticContact CE2-CD1 3.85Å; F267-F534 HydrophobicContact CE2-CD1 3.85Å; F267-F534 AromaticContact CE2-CE1 3.86Å; F267-F534 HydrophobicContact CE2-CE1 3.86Å; F267-F534 HydrophobicContact CE2-CG 4.25Å; F267-F534 HydrophobicContact CE2-CZ 4.24Å; F267-F534 HydrophobicContact CZ-CD1 4.04Å; F267-F534 HydrophobicContact CZ-CD2 4.01Å; F267-F534 AromaticContact CZ-CE1 3.99Å; F267-F534 HydrophobicContact CZ-CE1 3.99Å; F267-F534 AromaticContact CZ-CE2 3.93Å; F267-F534 HydrophobicContact CZ-CE2 3.93Å; F267-F534 HydrophobicContact CZ-CG 4.04Å; F267-F534 AromaticContact CZ-CZ 3.92Å; F267-F534 HydrophobicContact CZ-CZ 3.92Å
268	R	98.9	Very high	98.7	Very high	65 Å²	65	49 Å²	49	25%	0.245	25%	0.247	C	C	.	.	H	α-helix	trans	-58.2	-47.6	175.2	-74.4	-166.7	172.4	91.9	8.4	112.1	T264 Q265 H270 F271 F272 E278 F326 I328	T264-R268 PolarHBondContact O-N 2.9Å; Q265-R268 WeakPolarHBondContact O-CB 3.48Å; Q265-R268 PolarHBondContact O-N 3.43Å; Q265-R268 VanDerWaalsContact O-N 3.08Å; R268-H270 VanDerWaalsContact C-N 3.28Å; R268-H270 PolarHBondContact O-N 3.25Å; R268-F271 PolarHBondContact O-N 2.93Å; R268-F272 HydrophobicContact CB-CD2 4.09Å; R268-F272 HydrophobicContact CB-CE2 3.83Å; R268-F272 HydrophobicContact CG-CE2 4.35Å; R268-F272 WeakPolarHBondContact O-CD2 3.45Å; R268-F272 WeakPolarHBondContact O-CG 3.37Å; R268-F272 PolarHBondContact O-N 2.83Å; R268-E278 IonicContact CZ-OE1 3.86Å; R268-E278 IonicContact NE-OE1 3.68Å; R268-E278 PolarHBondContact NE-OE1 3.32Å; R268-E278 IonicContact NE-OE2 3.86Å; R268-E278 PolarHBondContact NE-OE2 3.09Å; R268-E278 IonicContact NH2-OE1 3.02Å; R268-E278 PolarHBondContact NH2-OE1 3.09Å; R268-F326 HydrophobicContact CG-CE2 4.33Å; R268-F326 HydrophobicContact CG-CZ 4.43Å; R268-I328 HydrophobicContact CG-CD1 3.88Å
269	D	98.9	Very high	98.8	Very high	64 Å²	64	45.4 Å²	45.4	34%	0.342	24%	0.236	S	C	.	.	H	α-helix	trans	-63.7	-35.6	-179	-64.1	-15.9	0	0	0	111.8	Q265 C266 F267 S273 R375	Q265-D269 PolarHBondContact NE2-OD1 3Å; Q265-D269 VanDerWaalsContact O-CG 3.27Å; Q265-D269 PolarHBondContact O-N 3.07Å; C266-D269 PolarHBondContact O-N 2.97Å; F267-D269 PolarHBondContact O-N 3.04Å; D269-S273 WeakPolarHBondContact O-CB 3.46Å; D269-S273 PolarHBondContact O-N 3.03Å; D269-S273 PolarHBondContact O-OG 3.39Å; D269-R375 PolarHBondContact O-NH1 2.96Å
270	H	98.9	Very high	98.8	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.009	28%	0.275	C	S	.	.	H	α-helix	trans	-58	-53.9	172.4	168.7	90.9	0	0	0	110.9	C266 F267 R268 S273 R274 D367 L368 D371 V372	C266-H270 WeakPolarHBondContact O-CB 3.23Å; C266-H270 PolarHBondContact O-N 2.78Å; F267-H270 WeakPolarHBondContact O-CB 3.35Å; F267-H270 PolarHBondContact O-N 3.44Å; R268-H270 VanDerWaalsContact C-N 3.28Å; R268-H270 PolarHBondContact O-N 3.25Å; H270-S273 PolarHBondContact O-N 3.5Å; H270-S273 PolarHBondContact O-OG 3.05Å; H270-R274 PolarHBondContact CE1-NE 3.35Å; H270-R274 PolarHBondContact CE1-NH1 2.88Å; H270-R274 VanDerWaalsContact CE1-NH1 3.29Å; H270-R274 PolarHBondContact CE1-NH2 3.46Å; H270-R274 PolarHBondContact ND1-NH1 2.94Å; H270-R274 PolarHBondContact O-N 2.86Å; H270-R274 PolarHBondContact O-NH1 2.99Å; H270-D367 IonicContact CE1-OD2 3.82Å; H270-L368 WeakPolarHBondContact CD2-CD1 3.1Å; H270-L368 WeakPolarHBondContact CE1-CA 3.31Å; H270-L368 WeakPolarHBondContact NE2-CD1 3.44Å; H270-D371 IonicContact CE1-OD2 3.34Å; H270-D371 IonicContact CG-OD2 3.75Å; H270-D371 IonicContact ND1-OD2 3.72Å; H270-D371 PolarHBondContact ND1-OD2 2.87Å; H270-V372 HydrophobicContact CB-CG2 3.73Å
271	F	98.9	Very high	98.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.5	-49.7	-179.2	-74.3	-58.4	0	0	0	112.4	F267 R268 S273 R274 G275 Y276 F326 I349 A351 L368 Y527	F267-F271 HydrophobicContact CD1-CE2 4.45Å; F267-F271 WeakPolarHBondContact O-CD2 3.4Å; F267-F271 PolarHBondContact O-N 2.98Å; F267-F271 VanDerWaalsContact O-N 3.14Å; R268-F271 PolarHBondContact O-N 2.93Å; F271-S273 VanDerWaalsContact C-N 3.3Å; F271-S273 PolarHBondContact O-N 3.17Å; F271-R274 CarbonylContact O-C 3.59Å; F271-R274 WeakPolarHBondContact O-CA 3.47Å; F271-R274 PolarHBondContact O-N 2.78Å; F271-G275 PolarHBondContact O-N 2.69Å; F271-Y276 HydrophobicContact CB-CG 4.32Å; F271-Y276 AromaticContact CD1-CD1 3.69Å; F271-Y276 HydrophobicContact CD1-CD1 3.69Å; F271-Y276 HydrophobicContact CD1-CD2 4.26Å; F271-Y276 HydrophobicContact CD1-CE1 4Å; F271-Y276 AromaticContact CD1-CG 3.84Å; F271-Y276 HydrophobicContact CD1-CG 3.84Å; F271-Y276 HydrophobicContact CE1-CD1 4.19Å; F271-Y276 HydrophobicContact CE1-CE1 4.15Å; F271-Y276 PolarHBondContact O-N 2.74Å; F271-Y276 VanDerWaalsContact O-N 3.16Å; F271-F326 HydrophobicContact CB-CD1 3.64Å; F271-F326 HydrophobicContact CB-CD2 4.35Å; F271-F326 HydrophobicContact CB-CE1 3.5Å; F271-F326 HydrophobicContact CB-CE2 4.25Å; F271-F326 HydrophobicContact CB-CG 4.05Å; F271-F326 HydrophobicContact CB-CZ 3.82Å; F271-F326 HydrophobicContact CD1-CB 4.11Å; F271-F326 HydrophobicContact CD1-CD1 4.3Å; F271-F326 HydrophobicContact CD1-CG 4.12Å; F271-F326 HydrophobicContact CD2-CB 4.18Å; F271-F326 HydrophobicContact CD2-CD1 4.11Å; F271-F326 AromaticContact CD2-CD2 3.34Å; F271-F326 HydrophobicContact CD2-CD2 3.34Å; F271-F326 HydrophobicContact CD2-CE1 4.31Å; F271-F326 AromaticContact CD2-CE2 3.61Å; F271-F326 HydrophobicContact CD2-CE2 3.61Å; F271-F326 AromaticContact CD2-CG 3.61Å; F271-F326 HydrophobicContact CD2-CG 3.61Å; F271-F326 HydrophobicContact CD2-CZ 4.08Å; F271-F326 HydrophobicContact CE1-CB 4.09Å; F271-F326 HydrophobicContact CE1-CG 4.47Å; F271-F326 HydrophobicContact CE2-CB 4.17Å; F271-F326 AromaticContact CE2-CD2 3.69Å; F271-F326 HydrophobicContact CE2-CD2 3.69Å; F271-F326 HydrophobicContact CE2-CE2 4.3Å; F271-F326 HydrophobicContact CE2-CG 4.02Å; F271-F326 HydrophobicContact CG-CB 4.17Å; F271-F326 AromaticContact CG-CD1 3.79Å; F271-F326 HydrophobicContact CG-CD1 3.79Å; F271-F326 AromaticContact CG-CD2 3.9Å; F271-F326 HydrophobicContact CG-CD2 3.9Å; F271-F326 HydrophobicContact CG-CE1 4.07Å; F271-F326 HydrophobicContact CG-CE2 4.2Å; F271-F326 AromaticContact CG-CG 3.67Å; F271-F326 HydrophobicContact CG-CG 3.67Å; F271-F326 HydrophobicContact CG-CZ 4.26Å; F271-F326 HydrophobicContact CZ-CB 4.13Å; F271-F326 HydrophobicContact CZ-CD2 4.48Å; F271-F326 HydrophobicContact CZ-CG 4.44Å; F271-I349 HydrophobicContact CE2-CG2 3.73Å; F271-I349 HydrophobicContact CZ-CG2 4.12Å; F271-A351 HydrophobicContact CE1-CB 3.77Å; F271-A351 HydrophobicContact CZ-CB 4.02Å; F271-L368 HydrophobicContact CE1-CD1 4.27Å; F271-L368 HydrophobicContact CE2-CD1 4.36Å; F271-L368 HydrophobicContact CZ-CD1 3.89Å; F271-Y527 HydrophobicContact CZ-CE2 4.36Å
272	F	98.9	Very high	98.7	Very high	99 Å²	99	49.6 Å²	49.6	43%	0.434	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-37.3	179.8	-68	-45.9	0	0	0	112.4	R268 R274 G275 E278 F326	R268-F272 HydrophobicContact CB-CD2 4.09Å; R268-F272 HydrophobicContact CB-CE2 3.83Å; R268-F272 HydrophobicContact CG-CE2 4.35Å; R268-F272 WeakPolarHBondContact O-CD2 3.45Å; R268-F272 WeakPolarHBondContact O-CG 3.37Å; R268-F272 PolarHBondContact O-N 2.83Å; F272-R274 PolarHBondContact O-N 2.97Å; F272-G275 PolarHBondContact O-N 3.5Å; F272-G275 VanDerWaalsContact O-N 3.09Å; F272-E278 HydrophobicContact CE1-CB 4.16Å; F272-E278 HydrophobicContact CZ-CB 4.09Å; F272-F326 HydrophobicContact CD1-CE1 4.34Å; F272-F326 AromaticContact CE1-CE1 3.96Å; F272-F326 HydrophobicContact CE1-CE1 3.96Å; F272-F326 HydrophobicContact CE1-CZ 4.09Å; F272-F326 HydrophobicContact CZ-CE1 4.36Å; F272-F326 HydrophobicContact CZ-CZ 4.02Å
273	S	98.8	Very high	98.7	Very high	73 Å²	73	50.2 Å²	50.2	51%	0.51	27%	0.268	S	S	.	.	H	α-helix	trans	-67.2	-15	176.2	69.6	0	0	0	0	114.2	D269 H270 F271 R375	D269-S273 WeakPolarHBondContact O-CB 3.46Å; D269-S273 PolarHBondContact O-N 3.03Å; D269-S273 PolarHBondContact O-OG 3.39Å; H270-S273 PolarHBondContact O-N 3.5Å; H270-S273 PolarHBondContact O-OG 3.05Å; F271-S273 VanDerWaalsContact C-N 3.3Å; F271-S273 PolarHBondContact O-N 3.17Å; S273-R375 PolarHBondContact OG-NH2 2.64Å
274	R	98.7	Very high	98.6	Very high	77 Å²	77	53.8 Å²	53.8	29%	0.291	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	3.5	175.2	-72.3	165.8	178.1	70.4	0.4	113.1	H270 F271 F272 Y276 D367 D371	H270-R274 PolarHBondContact CE1-NE 3.35Å; H270-R274 PolarHBondContact CE1-NH1 2.88Å; H270-R274 VanDerWaalsContact CE1-NH1 3.29Å; H270-R274 PolarHBondContact CE1-NH2 3.46Å; H270-R274 PolarHBondContact ND1-NH1 2.94Å; H270-R274 PolarHBondContact O-N 2.86Å; H270-R274 PolarHBondContact O-NH1 2.99Å; F271-R274 CarbonylContact O-C 3.59Å; F271-R274 WeakPolarHBondContact O-CA 3.47Å; F271-R274 PolarHBondContact O-N 2.78Å; F272-R274 PolarHBondContact O-N 2.97Å; R274-Y276 HydrophobicContact CB-CD2 3.71Å; R274-Y276 HydrophobicContact CB-CE2 3.79Å; R274-D367 IonicContact CZ-OD2 3.38Å; R274-D367 IonicContact NE-OD2 2.83Å; R274-D367 PolarHBondContact NE-OD2 2.96Å; R274-D367 IonicContact NH2-OD1 3.49Å; R274-D367 PolarHBondContact NH2-OD1 2.99Å; R274-D367 IonicContact NH2-OD2 2.93Å; R274-D367 PolarHBondContact NH2-OD2 3.35Å; R274-D371 IonicContact CZ-OD2 3.8Å; R274-D371 IonicContact NH1-OD2 2.82Å; R274-D371 PolarHBondContact NH1-OD2 3.49Å; R274-D371 IonicContact NH2-OD2 3.52Å; R274-D371 PolarHBondContact NH2-OD2 2.75Å
275	G	98.7	Very high	98.4	Very high	51 Å²	51	53 Å²	53	53%	0.526	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	13.1	176.9	0	0	0	0	0	115	F271 F272	F271-G275 PolarHBondContact O-N 2.69Å; F272-G275 PolarHBondContact O-N 3.5Å; F272-G275 VanDerWaalsContact O-N 3.09Å
276	Y	98.9	Very high	98.1	Very high	9 Å²	9	54.6 Å²	54.6	4%	0.035	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-71	149.6	175.5	-73.6	-120.8	0	0	0	111.1	F271 R274 D324 F326 A351 C353 R364	F271-Y276 HydrophobicContact CB-CG 4.32Å; F271-Y276 AromaticContact CD1-CD1 3.69Å; F271-Y276 HydrophobicContact CD1-CD1 3.69Å; F271-Y276 HydrophobicContact CD1-CD2 4.26Å; F271-Y276 HydrophobicContact CD1-CE1 4Å; F271-Y276 AromaticContact CD1-CG 3.84Å; F271-Y276 HydrophobicContact CD1-CG 3.84Å; F271-Y276 HydrophobicContact CE1-CD1 4.19Å; F271-Y276 HydrophobicContact CE1-CE1 4.15Å; F271-Y276 PolarHBondContact O-N 2.74Å; F271-Y276 VanDerWaalsContact O-N 3.16Å; R274-Y276 HydrophobicContact CB-CD2 3.71Å; R274-Y276 HydrophobicContact CB-CE2 3.79Å; Y276-D324 VanDerWaalsContact CA-O 3.29Å; Y276-D324 WeakPolarHBondContact CA-O 3.32Å; Y276-D324 HydrophobicContact CD1-CB 3.66Å; Y276-D324 HydrophobicContact CD2-CB 3.77Å; Y276-D324 HydrophobicContact CE1-CB 3.7Å; Y276-D324 HydrophobicContact CE2-CB 3.81Å; Y276-D324 HydrophobicContact CG-CB 3.69Å; Y276-F326 HydrophobicContact CD1-CB 4.39Å; Y276-A351 HydrophobicContact CE1-CB 4.17Å; Y276-C353 PolarHBondContact OH-SG 2.95Å; Y276-R364 PolarHBondContact OH-NH1 2.9Å
277	Y	98.8	Very high	97.6	Very high	137 Å²	137	54.6 Å²	54.6	54%	0.537	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.9	169.7	-71.2	-81.5	0	0	0	112	L322 D324 T325 F326	Y277-L322 HydrophobicContact CD2-CB 4.25Å; Y277-L322 WeakPolarHBondContact CD2-O 3.2Å; Y277-D324 PolarHBondContact N-O 2.75Å; Y277-T325 WeakPolarHBondContact O-CA 3.49Å; Y277-F326 WeakPolarHBondContact O-CD1 3.49Å; Y277-F326 PolarHBondContact O-N 2.89Å
278	E	98.9	Very high	97	Very high	65 Å²	65	57.2 Å²	57.2	30%	0.304	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	124.7	172.3	-168.4	168.6	-177.9	0	0	109.3	R268 F272 F326	R268-E278 IonicContact CZ-OE1 3.86Å; R268-E278 IonicContact NE-OE1 3.68Å; R268-E278 PolarHBondContact NE-OE1 3.32Å; R268-E278 IonicContact NE-OE2 3.86Å; R268-E278 PolarHBondContact NE-OE2 3.09Å; R268-E278 IonicContact NH2-OE1 3.02Å; R268-E278 PolarHBondContact NH2-OE1 3.09Å; F272-E278 HydrophobicContact CE1-CB 4.16Å; F272-E278 HydrophobicContact CZ-CB 4.09Å; E278-F326 CarbonylContact C-O 3.54Å; E278-F326 WeakPolarHBondContact CA-O 3.44Å; E278-F326 HydrophobicContact CB-CD1 4.32Å; E278-F326 HydrophobicContact CB-CE1 3.6Å; E278-F326 HydrophobicContact CB-CE2 4.14Å; E278-F326 HydrophobicContact CB-CZ 3.5Å; E278-F326 VanDerWaalsContact CB-CZ 3.5Å; E278-F326 HydrophobicContact CG-CE1 4.26Å; E278-F326 HydrophobicContact CG-CE2 3.88Å; E278-F326 HydrophobicContact CG-CZ 3.75Å
279	I	98.6	Very high	96.1	Very high	30 Å²	30	54.5 Å²	54.5	15%	0.154	29%	0.293	C	S	.	.			trans	-109.6	153	179.4	-49.1	-57.3	0	0	0	109	P281 L315 L322 T325 F326 C327	I279-P281 HydrophobicContact CG2-CG 4.18Å; I279-P281 WeakPolarHBondContact O-CD 2.92Å; I279-L315 HydrophobicContact CB-CD2 4.03Å; I279-L315 HydrophobicContact CG1-CD2 4.17Å; I279-L322 HydrophobicContact CD1-CD1 3.33Å; I279-T325 HydrophobicContact CD1-CG2 4.07Å; I279-T325 HydrophobicContact CG1-CG2 3.97Å; I279-F326 PolarHBondContact N-O 3.44Å; I279-C327 WeakPolarHBondContact O-CB 3.27Å
280	T	98.7	Very high	94.9	Very high	136 Å²	136	55 Å²	55	83%	0.834	29%	0.293	S	S	*	.			trans	-119.2	81.7	173.9	-48.9	0	0	0	0	110.2
281	P	98.3	Very high	93.5	Very high	12 Å²	12	56.3 Å²	56.3	8%	0.078	31%	0.307	C	S	.	.			trans	-64.8	156.2	178.7	-22.9	37	0	0	0	112.7	I279 Y314 L315 C327	I279-P281 HydrophobicContact CG2-CG 4.18Å; I279-P281 WeakPolarHBondContact O-CD 2.92Å; P281-Y314 HydrophobicContact CB-CD2 4.07Å; P281-Y314 HydrophobicContact CB-CG 4.27Å; P281-L315 HydrophobicContact CG-CD2 4.32Å; P281-C327 HydrophobicContact CG-CB 4.12Å
282	P	97.9	Very high	91.9	Very high	65 Å²	65	58.2 Å²	58.2	42%	0.422	33%	0.327	S	S	.	.			trans	-68.9	141	174.8	30.3	-34.9	0	0	0	111.3	Y314	P282-Y314 HydrophobicContact CG-CD1 4.28Å; P282-Y314 HydrophobicContact CG-CD2 4.23Å; P282-Y314 HydrophobicContact CG-CE1 3.82Å; P282-Y314 HydrophobicContact CG-CE2 3.77Å; P282-Y314 HydrophobicContact CG-CG 4.47Å
283	T	97.6	Very high	90.4	Very high	51 Å²	51	58.9 Å²	58.9	31%	0.313	34%	0.344	S	S	.	.	S	Bend	trans	-98.8	-12.2	177	56.5	0	0	0	0	113.8	L307 T308	T283-L307 WeakPolarHBondContact O-CA 3.11Å; T283-T308 HydrophobicContact CG2-CG2 4.08Å; T283-T308 PolarHBondContact O-N 2.94Å
284	L	96.9	Very high	89.5	Confident	75 Å²	75	57 Å²	57	39%	0.393	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.6	169.4	-55.9	-178.1	0	0	0	108	L298 Y300 Y306 L307	L284-L298 HydrophobicContact CD2-CD1 3.91Å; L284-L298 HydrophobicContact CD2-CD2 4.15Å; L284-Y300 HydrophobicContact CD1-CD2 4.04Å; L284-Y300 HydrophobicContact CD1-CE2 3.83Å; L284-Y306 WeakPolarHBondContact CA-O 3.49Å; L284-L307 HydrophobicContact CD2-CD2 3.74Å
285	V	95.3	Very high	89.1	Confident	7 Å²	7	54.3 Å²	54.3	4%	0.042	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	156	-170.7	-55.9	0	0	0	0	111.5	T287 Y306 Y314	V285-T287 WeakPolarHBondContact CG2-O 3.4Å; V285-Y306 PolarHBondContact N-O 3.04Å; V285-Y306 PolarHBondContact O-N 3.25Å; V285-Y314 HydrophobicContact CG1-CE2 3.86Å; V285-Y314 WeakPolarHBondContact CG1-OH 3.31Å
286	Q	92.7	Very high	88.8	Confident	121 Å²	121	55.4 Å²	55.4	57%	0.565	31%	0.311	S	S	*	.	S	Bend	trans	-106.3	-4.3	171.8	-71.1	175.7	-32.4	0	0	112.3	E303	Q286-E303 PolarHBondContact NE2-OE2 3.37Å
287	T	88.6	Confident	88.6	Confident	7 Å²	7	59.8 Å²	59.8	4%	0.043	33%	0.334	C	S	.	.	S	Bend	trans	-116.7	142.1	-175.1	51.8	0	0	0	0	111.2	V285 P509 Y510 W512	V285-T287 WeakPolarHBondContact CG2-O 3.4Å; T287-P509 HydrophobicContact CG2-CB 4.09Å; T287-Y510 HydrophobicContact CG2-CD1 4.01Å; T287-Y510 HydrophobicContact CG2-CD2 4.23Å; T287-Y510 HydrophobicContact CG2-CE1 3.81Å; T287-Y510 HydrophobicContact CG2-CE2 3.99Å; T287-Y510 HydrophobicContact CG2-CG 4.23Å; T287-W512 HydrophobicContact CG2-CZ2 4.14Å
288	Q	85.1	Confident	88.4	Confident	56 Å²	56	55.4 Å²	55.4	26%	0.262	32%	0.32	S	S	.	.			trans	-86.5	150.2	171.7	63.4	-174.7	25.8	0	0	111.6	G292 L295 Y510	Q288-G292 VanDerWaalsContact OE1-N 3.12Å; Q288-L295 HydrophobicContact CB-CD1 3.7Å; Q288-Y510 VanDerWaalsContact CG-OH 3.23Å; Q288-Y510 WeakPolarHBondContact CG-OH 3.34Å; Q288-Y510 PolarHBondContact N-OH 3.36Å; Q288-Y510 WeakPolarHBondContact O-CE1 3.14Å; Q288-Y510 PolarHBondContact O-OH 3.35Å
289	V	80.1	Confident	88.3	Confident	8 Å²	8	58.3 Å²	58.3	5%	0.048	34%	0.338	C	S	.	.	S	Bend	trans	-114.3	-52.9	178	-174.4	0	0	0	0	110.9	L313 Y459	V289-L313 HydrophobicContact CG1-CD2 4.44Å; V289-L313 HydrophobicContact CG1-CG 4.13Å; V289-L313 HydrophobicContact CG2-CD1 3.86Å; V289-L313 HydrophobicContact CG2-CG 4Å; V289-Y459 HydrophobicContact CG1-CE1 4.29Å
290	E	73.6	Confident	88.2	Confident	74 Å²	74	61.8 Å²	61.8	35%	0.346	35%	0.35	S	S	.	.	S	Bend	trans	-109.5	30.8	-172.6	-62.1	-177.8	175.3	0	0	112.3
291	G	69.3	Low	88.1	Confident	30 Å²	30	64.3 Å²	64.3	31%	0.309	35%	0.349	S	S	.	.			trans	92.8	146.5	-177.4	0	0	0	0	0	113.9	S293 Q309	G291-S293 VanDerWaalsContact C-N 3.35Å; G291-S293 PolarHBondContact O-N 3.18Å; G291-Q309 PolarHBondContact O-NE2 3.03Å; G291-Q309 PolarHBondContact O-OE1 3.46Å
292	G	65.9	Low	88	Confident	40 Å²	40	66.9 Å²	66.9	41%	0.412	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-79	-8.6	-169.1	0	0	0	0	0	116.3	Q288 T294	Q288-G292 VanDerWaalsContact OE1-N 3.12Å; G292-T294 VanDerWaalsContact C-N 3.31Å; G292-T294 PolarHBondContact O-N 3.05Å
293	S	67.8	Low	87.8	Confident	113 Å²	113	69.3 Å²	69.3	79%	0.79	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-75.7	-15.9	-171	55.5	0	0	0	0	114.4	G291	G291-S293 VanDerWaalsContact C-N 3.35Å; G291-S293 PolarHBondContact O-N 3.18Å
294	T	80.4	Confident	87.7	Confident	32 Å²	32	72.1 Å²	72.1	20%	0.196	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-125.1	25.6	-173.5	63.7	0	0	0	0	113.6	G292 Q309 A334 E335	G292-T294 VanDerWaalsContact C-N 3.31Å; G292-T294 PolarHBondContact O-N 3.05Å; T294-Q309 PolarHBondContact OG1-NE2 3.25Å; T294-A334 VanDerWaalsContact O-CB 3.32Å; T294-A334 WeakPolarHBondContact O-CB 3.37Å; T294-A334 PolarHBondContact O-N 2.83Å; T294-E335 HydrophobicContact CG2-CB 4.01Å; T294-E335 HydrophobicContact CG2-CG 4.31Å
295	L	88.9	Confident	87.6	Confident	22 Å²	22	68.7 Å²	68.7	12%	0.115	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-87.5	138.9	174.9	-72	167.6	0	0	0	112.3	Q288 N297 Y306 L307 Q309	Q288-L295 HydrophobicContact CB-CD1 3.7Å; L295-N297 PolarHBondContact O-N 3.27Å; L295-Y306 HydrophobicContact CB-CD1 3.64Å; L295-Y306 HydrophobicContact CB-CE1 4.31Å; L295-Y306 HydrophobicContact CB-CG 4.19Å; L295-Y306 HydrophobicContact CD1-CD1 4.01Å; L295-Y306 HydrophobicContact CD1-CD2 4.47Å; L295-Y306 HydrophobicContact CD1-CE1 4.41Å; L295-Y306 HydrophobicContact CD1-CG 4.02Å; L295-Y306 HydrophobicContact CG-CD1 4.39Å; L295-L307 WeakPolarHBondContact CD2-O 3.47Å; L295-Q309 VanDerWaalsContact CD2-CD 3.42Å; L295-Q309 HydrophobicContact CD2-CG 3.61Å; L295-Q309 HydrophobicContact CG-CG 4.43Å
296	F	93.1	Very high	87.6	Confident	74 Å²	74	71.1 Å²	71.1	33%	0.325	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-79	119.8	164.9	-74.3	-76.4	0	0	0	109.4	Y306 L307 R333 A334	F296-Y306 CarbonylContact O-C 3.19Å; F296-Y306 WeakPolarHBondContact O-CA 3.39Å; F296-L307 HydrophobicContact CB-CB 4.18Å; F296-L307 HydrophobicContact CB-CD1 3.97Å; F296-L307 HydrophobicContact CB-CG 4.15Å; F296-L307 HydrophobicContact CD2-CD1 4.46Å; F296-L307 HydrophobicContact CG-CD1 4.41Å; F296-L307 PolarHBondContact O-N 3.01Å; F296-R333 VanDerWaalsContact CE2-C 3.44Å; F296-R333 WeakPolarHBondContact CE2-O 3.09Å; F296-A334 HydrophobicContact CD1-CB 3.89Å; F296-A334 HydrophobicContact CD2-CB 3.89Å; F296-A334 HydrophobicContact CE1-CB 3.85Å; F296-A334 HydrophobicContact CE2-CB 3.87Å; F296-A334 HydrophobicContact CG-CB 3.92Å; F296-A334 HydrophobicContact CZ-CB 3.84Å
297	N	94	Very high	87.8	Confident	100 Å²	100	67.4 Å²	67.4	54%	0.535	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	139.1	175.9	-172.4	-14.5	0	0	0	110.8	L295 Q304 A305 Y306	L295-N297 PolarHBondContact O-N 3.27Å; N297-Q304 PolarHBondContact ND2-NE2 3.41Å; N297-A305 PolarHBondContact OD1-O 3.39Å; N297-Y306 HydrophobicContact CB-CD1 4.25Å; N297-Y306 HydrophobicContact CB-CE1 4.22Å
298	L	95.4	Very high	88.2	Confident	45 Å²	45	67.1 Å²	67.1	24%	0.236	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	151.8	171	64.5	131.8	0	0	0	111.8	L284 A305 L307	L284-L298 HydrophobicContact CD2-CD1 3.91Å; L284-L298 HydrophobicContact CD2-CD2 4.15Å; L298-A305 HydrophobicContact CD1-CB 4.22Å; L298-A305 HydrophobicContact CD2-CB 4.43Å; L298-A305 HydrophobicContact CG-CB 4.03Å; L298-A305 PolarHBondContact N-O 3.01Å; L298-A305 PolarHBondContact O-N 2.98Å; L298-A305 VanDerWaalsContact O-O 3.11Å; L298-L307 HydrophobicContact CD2-CD2 3.88Å; L298-L307 HydrophobicContact CD2-CG 3.93Å
299	D	96.8	Very high	88.6	Confident	126 Å²	126	64.5 Å²	64.5	67%	0.674	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	114.7	169.2	176.1	21	0	0	0	109.5	G302	D299-G302 VanDerWaalsContact OD1-CA 3.26Å; D299-G302 WeakPolarHBondContact OD1-CA 3.4Å; D299-G302 PolarHBondContact OD1-N 3.44Å
300	Y	96.3	Very high	89.4	Confident	104 Å²	104	64.2 Å²	64.2	41%	0.408	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	82.9	176.3	-171.5	-109.4	0	0	0	109.7	L284 G302 E303 A305	L284-Y300 HydrophobicContact CD1-CD2 4.04Å; L284-Y300 HydrophobicContact CD1-CE2 3.83Å; Y300-G302 VanDerWaalsContact C-N 3.3Å; Y300-G302 PolarHBondContact O-N 3.19Å; Y300-E303 PolarHBondContact N-O 3.46Å; Y300-E303 PolarHBondContact O-N 2.97Å; Y300-E303 VanDerWaalsContact O-N 3.08Å; Y300-A305 HydrophobicContact CG-CB 4.4Å
301	F	96.8	Very high	90.5	Very high	188 Å²	188	60.7 Å²	60.7	83%	0.825	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	37.1	178	-56.9	-79.8	0	0	0	114.5
302	G	95.6	Very high	91.9	Very high	67 Å²	67	59.9 Å²	59.9	69%	0.691	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.2	-5.4	-178.1	0	0	0	0	0	114	D299 Y300	D299-G302 VanDerWaalsContact OD1-CA 3.26Å; D299-G302 WeakPolarHBondContact OD1-CA 3.4Å; D299-G302 PolarHBondContact OD1-N 3.44Å; Y300-G302 VanDerWaalsContact C-N 3.3Å; Y300-G302 PolarHBondContact O-N 3.19Å
303	E	94.6	Very high	93.4	Very high	115 Å²	115	58 Å²	58	54%	0.537	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	148.4	172.9	-61.2	-172.7	168.4	0	0	111.2	Q286 Y300	Q286-E303 PolarHBondContact NE2-OE2 3.37Å; Y300-E303 PolarHBondContact N-O 3.46Å; Y300-E303 PolarHBondContact O-N 2.97Å; Y300-E303 VanDerWaalsContact O-N 3.08Å
304	Q	94	Very high	94.9	Very high	111 Å²	111	54.8 Å²	54.8	52%	0.519	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	127.9	175.3	-173	169.3	9.7	0	0	110.2	N297 Y306	N297-Q304 PolarHBondContact ND2-NE2 3.41Å; Q304-Y306 HydrophobicContact CG-CE2 4.33Å; Q304-Y306 PolarHBondContact NE2-OH 3.47Å
305	A	95.4	Very high	95.8	Very high	3 Å²	3	53.3 Å²	53.3	3%	0.025	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	169.7	173.4	0	0	0	0	0	110.9	N297 L298 Y300	N297-A305 PolarHBondContact OD1-O 3.39Å; L298-A305 HydrophobicContact CD1-CB 4.22Å; L298-A305 HydrophobicContact CD2-CB 4.43Å; L298-A305 HydrophobicContact CG-CB 4.03Å; L298-A305 PolarHBondContact N-O 3.01Å; L298-A305 PolarHBondContact O-N 2.98Å; L298-A305 VanDerWaalsContact O-O 3.11Å; Y300-A305 HydrophobicContact CG-CB 4.4Å
306	Y	95.6	Very high	96.2	Very high	58 Å²	58	52.3 Å²	52.3	23%	0.227	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	154.2	-178.5	-53.2	-87.1	0	0	0	111.3	L284 V285 L295 F296 N297 Q304	L284-Y306 WeakPolarHBondContact CA-O 3.49Å; V285-Y306 PolarHBondContact N-O 3.04Å; V285-Y306 PolarHBondContact O-N 3.25Å; L295-Y306 HydrophobicContact CB-CD1 3.64Å; L295-Y306 HydrophobicContact CB-CE1 4.31Å; L295-Y306 HydrophobicContact CB-CG 4.19Å; L295-Y306 HydrophobicContact CD1-CD1 4.01Å; L295-Y306 HydrophobicContact CD1-CD2 4.47Å; L295-Y306 HydrophobicContact CD1-CE1 4.41Å; L295-Y306 HydrophobicContact CD1-CG 4.02Å; L295-Y306 HydrophobicContact CG-CD1 4.39Å; F296-Y306 CarbonylContact O-C 3.19Å; F296-Y306 WeakPolarHBondContact O-CA 3.39Å; N297-Y306 HydrophobicContact CB-CD1 4.25Å; N297-Y306 HydrophobicContact CB-CE1 4.22Å; Q304-Y306 HydrophobicContact CG-CE2 4.33Å; Q304-Y306 PolarHBondContact NE2-OH 3.47Å
307	L	96.5	Very high	96.5	Very high	42 Å²	42	50.9 Å²	50.9	22%	0.22	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	137	163.9	-62.5	-179.4	0	0	0	109.6	T283 L284 L295 F296 L298 Y332	T283-L307 WeakPolarHBondContact O-CA 3.11Å; L284-L307 HydrophobicContact CD2-CD2 3.74Å; L295-L307 WeakPolarHBondContact CD2-O 3.47Å; F296-L307 HydrophobicContact CB-CB 4.18Å; F296-L307 HydrophobicContact CB-CD1 3.97Å; F296-L307 HydrophobicContact CB-CG 4.15Å; F296-L307 HydrophobicContact CD2-CD1 4.46Å; F296-L307 HydrophobicContact CG-CD1 4.41Å; F296-L307 PolarHBondContact O-N 3.01Å; L298-L307 HydrophobicContact CD2-CD2 3.88Å; L298-L307 HydrophobicContact CD2-CG 3.93Å; L307-Y332 HydrophobicContact CB-CD1 4.46Å; L307-Y332 HydrophobicContact CB-CD2 3.6Å; L307-Y332 HydrophobicContact CB-CE2 4.26Å; L307-Y332 HydrophobicContact CB-CG 3.71Å; L307-Y332 HydrophobicContact CD1-CD1 3.76Å; L307-Y332 HydrophobicContact CD1-CD2 4.28Å; L307-Y332 HydrophobicContact CD1-CE1 4.07Å; L307-Y332 HydrophobicContact CD1-CG 3.87Å; L307-Y332 HydrophobicContact CG-CD2 4.39Å; L307-Y332 HydrophobicContact CG-CG 4.38Å
308	T	96.2	Very high	96.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.241	C	C	.	.			trans	-61.6	139.2	-176.5	-169.8	0	0	0	0	113.4	T283 S310 Y332	T283-T308 HydrophobicContact CG2-CG2 4.08Å; T283-T308 PolarHBondContact O-N 2.94Å; T308-S310 PolarHBondContact OG1-N 2.88Å; T308-S310 PolarHBondContact OG1-O 3.4Å; T308-Y332 HydrophobicContact CG2-CD2 4.38Å; T308-Y332 WeakPolarHBondContact O-CD2 3.1Å; T308-Y332 PolarHBondContact O-N 3.33Å
309	Q	94.2	Very high	96.9	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.009	23%	0.232	C	C	.	.	S	Bend	trans	-87.1	-29.8	167.9	-79.4	162.4	-26.6	0	0	112.4	G291 T294 L295 S331 Y332 Y346	G291-Q309 PolarHBondContact O-NE2 3.03Å; G291-Q309 PolarHBondContact O-OE1 3.46Å; T294-Q309 PolarHBondContact OG1-NE2 3.25Å; L295-Q309 VanDerWaalsContact CD2-CD 3.42Å; L295-Q309 HydrophobicContact CD2-CG 3.61Å; L295-Q309 HydrophobicContact CG-CG 4.43Å; Q309-S331 WeakPolarHBondContact O-CB 3.23Å; Q309-S331 PolarHBondContact O-OG 3.44Å; Q309-S331 VanDerWaalsContact O-OG 3.12Å; Q309-Y332 WeakPolarHBondContact CG-O 3.35Å; Q309-Y346 PolarHBondContact O-OH 2.98Å
310	S	96.6	Very high	97	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.014	23%	0.227	C	C	.	.			trans	-164.5	144.6	-173.4	161.8	0	0	0	0	108.9	T308 Q312 E350	T308-S310 PolarHBondContact OG1-N 2.88Å; T308-S310 PolarHBondContact OG1-O 3.4Å; S310-Q312 VanDerWaalsContact OG-CB 3.25Å; S310-Q312 WeakPolarHBondContact OG-CB 3.45Å; S310-Q312 PolarHBondContact OG-N 3.44Å; S310-Q312 VanDerWaalsContact OG-N 3.1Å; S310-E350 WeakPolarHBondContact CA-OE1 3.31Å; S310-E350 VanDerWaalsContact CB-OE1 3.31Å; S310-E350 WeakPolarHBondContact CB-OE1 3.17Å; S310-E350 PolarHBondContact OG-OE1 3.38Å
311	S	98	Very high	97.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.241	C	C	.	.			trans	-94.9	4.1	176.3	-43.2	0	0	0	0	113.1	L313 Y314 L315 E350	S311-L313 VanDerWaalsContact C-N 3.34Å; S311-L313 PolarHBondContact O-N 3.35Å; S311-Y314 WeakPolarHBondContact O-CB 3.5Å; S311-Y314 PolarHBondContact O-N 3.09Å; S311-L315 PolarHBondContact O-N 3.46Å; S311-L315 VanDerWaalsContact O-N 3.13Å; S311-E350 WeakPolarHBondContact CA-OE2 3.25Å; S311-E350 WeakPolarHBondContact CB-OE2 3.5Å; S311-E350 VanDerWaalsContact N-CD 3.28Å; S311-E350 PolarHBondContact N-OE1 2.93Å; S311-E350 PolarHBondContact N-OE2 2.82Å; S311-E350 PolarHBondContact OG-OE2 3.36Å; S311-E350 VanDerWaalsContact OG-OE2 3.07Å
312	Q	98.1	Very high	97.2	Very high	13 Å²	13	37.2 Å²	37.2	6%	0.061	22%	0.22	C	C	.	.	H	α-helix	trans	-47.5	-52.2	-174.7	-178.1	-166.7	-67.2	0	0	112.9	S310 Y314 L315 E316 E350 Y459 R489	S310-Q312 VanDerWaalsContact OG-CB 3.25Å; S310-Q312 WeakPolarHBondContact OG-CB 3.45Å; S310-Q312 PolarHBondContact OG-N 3.44Å; S310-Q312 VanDerWaalsContact OG-N 3.1Å; Q312-Y314 PolarHBondContact O-N 3.07Å; Q312-Y314 VanDerWaalsContact O-N 3.13Å; Q312-L315 WeakPolarHBondContact O-CB 3.4Å; Q312-L315 PolarHBondContact O-N 3.06Å; Q312-E316 PolarHBondContact NE2-OE1 3.29Å; Q312-E316 PolarHBondContact O-N 2.97Å; Q312-E350 PolarHBondContact N-OE1 3.32Å; Q312-Y459 VanDerWaalsContact NE2-CD2 3.27Å; Q312-Y459 VanDerWaalsContact NE2-CE2 3.27Å; Q312-Y459 PolarHBondContact OE1-OH 3.22Å; Q312-R489 VanDerWaalsContact CD-NH1 3.28Å; Q312-R489 VanDerWaalsContact CG-NH2 3.3Å
313	L	97.8	Very high	97.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-58.7	-33	-176.4	-55.2	-175.1	0	0	0	111.9	V289 S311 T317 Y510 W512 Y513	V289-L313 HydrophobicContact CG1-CD2 4.44Å; V289-L313 HydrophobicContact CG1-CG 4.13Å; V289-L313 HydrophobicContact CG2-CD1 3.86Å; V289-L313 HydrophobicContact CG2-CG 4Å; S311-L313 VanDerWaalsContact C-N 3.34Å; S311-L313 PolarHBondContact O-N 3.35Å; L313-T317 WeakPolarHBondContact O-CG2 3.46Å; L313-Y510 HydrophobicContact CD1-CD1 4.1Å; L313-Y510 HydrophobicContact CD1-CE1 3.81Å; L313-W512 HydrophobicContact CB-CH2 3.7Å; L313-W512 HydrophobicContact CB-CZ3 3.76Å; L313-W512 HydrophobicContact CD1-CH2 4.16Å; L313-Y513 HydrophobicContact CB-CD2 4.01Å; L313-Y513 HydrophobicContact CB-CE2 4.2Å; L313-Y513 HydrophobicContact CD2-CD2 3.92Å; L313-Y513 HydrophobicContact CD2-CE1 4.08Å; L313-Y513 HydrophobicContact CD2-CE2 3.44Å; L313-Y513 VanDerWaalsContact CD2-CE2 3.44Å; L313-Y513 HydrophobicContact CD2-CG 4.43Å; L313-Y513 HydrophobicContact CG-CD2 4.44Å; L313-Y513 HydrophobicContact CG-CE2 4.36Å
314	Y	98.6	Very high	97.5	Very high	45 Å²	45	31.5 Å²	31.5	18%	0.176	18%	0.183	C	C	.	.	H	α-helix	trans	-74.5	-39.3	175.9	-62.3	-67	0	0	0	112.1	P281 P282 V285 S311 Q312 E316 T317 C318 W512	P281-Y314 HydrophobicContact CB-CD2 4.07Å; P281-Y314 HydrophobicContact CB-CG 4.27Å; P282-Y314 HydrophobicContact CG-CD1 4.28Å; P282-Y314 HydrophobicContact CG-CD2 4.23Å; P282-Y314 HydrophobicContact CG-CE1 3.82Å; P282-Y314 HydrophobicContact CG-CE2 3.77Å; P282-Y314 HydrophobicContact CG-CG 4.47Å; V285-Y314 HydrophobicContact CG1-CE2 3.86Å; V285-Y314 WeakPolarHBondContact CG1-OH 3.31Å; S311-Y314 WeakPolarHBondContact O-CB 3.5Å; S311-Y314 PolarHBondContact O-N 3.09Å; Q312-Y314 PolarHBondContact O-N 3.07Å; Q312-Y314 VanDerWaalsContact O-N 3.13Å; Y314-E316 VanDerWaalsContact C-N 3.28Å; Y314-E316 PolarHBondContact O-N 2.78Å; Y314-T317 PolarHBondContact O-N 3.38Å; Y314-T317 PolarHBondContact O-OG1 2.8Å; Y314-C318 PolarHBondContact O-N 2.93Å; Y314-C318 PolarHBondContact O-SG 2.81Å; Y314-W512 HydrophobicContact CD1-CH2 4.24Å; Y314-W512 HydrophobicContact CD1-CZ3 4.19Å; Y314-W512 AromaticContact CE1-CH2 3.93Å; Y314-W512 HydrophobicContact CE1-CH2 3.93Å; Y314-W512 HydrophobicContact CE1-CZ2 4.24Å; Y314-W512 HydrophobicContact CE1-CZ3 4.27Å
315	L	98.8	Very high	97.8	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-61.1	-39.9	174.9	-64.8	-179.7	0	0	0	111.2	I279 P281 S311 Q312 T317 C318 I319 C327 E350 E352	I279-L315 HydrophobicContact CB-CD2 4.03Å; I279-L315 HydrophobicContact CG1-CD2 4.17Å; P281-L315 HydrophobicContact CG-CD2 4.32Å; S311-L315 PolarHBondContact O-N 3.46Å; S311-L315 VanDerWaalsContact O-N 3.13Å; Q312-L315 WeakPolarHBondContact O-CB 3.4Å; Q312-L315 PolarHBondContact O-N 3.06Å; L315-T317 PolarHBondContact O-N 3.17Å; L315-C318 WeakPolarHBondContact O-CA 3.49Å; L315-C318 WeakPolarHBondContact O-CB 3.47Å; L315-C318 PolarHBondContact O-N 3.3Å; L315-I319 PolarHBondContact O-N 2.79Å; L315-C327 HydrophobicContact CD2-CB 4.34Å; L315-E350 HydrophobicContact CD1-CB 3.67Å; L315-E352 HydrophobicContact CB-CB 3.7Å; L315-E352 HydrophobicContact CB-CG 4.5Å
316	E	98.7	Very high	97.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-58.8	-29.5	173.8	-68.9	-178.7	-117.6	0	0	112.7	Q312 Y314 C318 I319 E352 R489 Y513 R517 H524	Q312-E316 PolarHBondContact NE2-OE1 3.29Å; Q312-E316 PolarHBondContact O-N 2.97Å; Y314-E316 VanDerWaalsContact C-N 3.28Å; Y314-E316 PolarHBondContact O-N 2.78Å; E316-C318 VanDerWaalsContact C-N 3.3Å; E316-I319 WeakPolarHBondContact O-CG1 3.35Å; E316-E352 HydrophobicContact CG-CG 3.8Å; E316-R489 HydrophobicContact CG-CG 4.46Å; E316-Y513 HydrophobicContact CB-CE2 4.15Å; E316-Y513 VanDerWaalsContact CD-CE2 3.41Å; E316-Y513 HydrophobicContact CG-CE2 4.38Å; E316-Y513 WeakPolarHBondContact OE1-CE2 3.43Å; E316-Y513 PolarHBondContact OE1-OH 2.96Å; E316-Y513 VanDerWaalsContact OE1-OH 3.1Å; E316-Y513 WeakPolarHBondContact OE2-CE2 3.25Å; E316-Y513 VanDerWaalsContact OE2-CZ 3.31Å; E316-Y513 PolarHBondContact OE2-OH 2.65Å; E316-R517 IonicContact OE2-CZ 3.37Å; E316-R517 IonicContact OE2-NH1 3.43Å; E316-R517 PolarHBondContact OE2-NH1 3.49Å; E316-R517 IonicContact OE2-NH2 2.93Å; E316-R517 PolarHBondContact OE2-NH2 3.22Å; E316-H524 IonicContact OE2-NE2 3.53Å; E316-H524 PolarHBondContact OE2-NE2 3.36Å; E316-H524 VanDerWaalsContact OE2-NE2 3.1Å
317	T	98.7	Very high	98.1	Very high	44 Å²	44	23.4 Å²	23.4	27%	0.27	15%	0.147	S	C	.	.	H	α-helix	trans	-76.3	-18	173.6	72.2	0	0	0	0	113.8	L313 Y314 L315 P320 W512 Q516	L313-T317 WeakPolarHBondContact O-CG2 3.46Å; Y314-T317 PolarHBondContact O-N 3.38Å; Y314-T317 PolarHBondContact O-OG1 2.8Å; L315-T317 PolarHBondContact O-N 3.17Å; T317-P320 WeakPolarHBondContact O-CD 3.44Å; T317-W512 HydrophobicContact CG2-CE3 3.71Å; T317-W512 HydrophobicContact CG2-CZ3 4.09Å; T317-Q516 HydrophobicContact CG2-CG 4.25Å
318	C	98.8	Very high	98.2	Very high	22 Å²	22	22.7 Å²	22.7	15%	0.149	14%	0.143	C	C	.	.	H	α-helix	trans	-87.6	-27.8	-176.3	-61.9	0	0	0	0	112.2	Y314 L315 E316 P320 A321 L322 T325	Y314-C318 PolarHBondContact O-N 2.93Å; Y314-C318 PolarHBondContact O-SG 2.81Å; L315-C318 WeakPolarHBondContact O-CA 3.49Å; L315-C318 WeakPolarHBondContact O-CB 3.47Å; L315-C318 PolarHBondContact O-N 3.3Å; E316-C318 VanDerWaalsContact C-N 3.3Å; C318-P320 VanDerWaalsContact C-CD 3.4Å; C318-A321 PolarHBondContact O-N 2.81Å; C318-L322 HydrophobicContact CB-CD1 4.47Å; C318-L322 PolarHBondContact O-N 2.89Å; C318-T325 HydrophobicContact CB-CG2 3.91Å
319	I	98.7	Very high	98.3	Very high	8 Å²	8	23.5 Å²	23.5	4%	0.041	15%	0.15	C	C	.	.	H	α-helix	trans	-59.3	-33.6	-173.5	70.9	-178.8	0	0	0	114.7	L315 E316 A321 G323 E352 P354 H524	L315-I319 PolarHBondContact O-N 2.79Å; E316-I319 WeakPolarHBondContact O-CG1 3.35Å; I319-A321 PolarHBondContact O-N 2.98Å; I319-G323 WeakPolarHBondContact CA-O 3.49Å; I319-G323 WeakPolarHBondContact O-CA 3.49Å; I319-G323 PolarHBondContact O-N 3.17Å; I319-G323 VanDerWaalsContact O-N 3.07Å; I319-E352 HydrophobicContact CG2-CB 3.97Å; I319-E352 HydrophobicContact CG2-CG 3.88Å; I319-P354 HydrophobicContact CB-CB 4.01Å; I319-P354 HydrophobicContact CB-CG 4Å; I319-P354 HydrophobicContact CD1-CB 3.98Å; I319-P354 HydrophobicContact CG1-CB 4.17Å; I319-H524 HydrophobicContact CD1-CB 3.58Å
320	P	98.7	Very high	98.5	Very high	87 Å²	87	26.4 Å²	26.4	57%	0.565	16%	0.163	S	C	*	.	H	α-helix	trans	-70.9	-18.9	176.2	-18.2	34.7	0	0	0	113.4	T317 C318	T317-P320 WeakPolarHBondContact O-CD 3.44Å; C318-P320 VanDerWaalsContact C-CD 3.4Å
321	A	98.6	Very high	98.5	Very high	85 Å²	85	26.3 Å²	26.3	70%	0.702	16%	0.163	S	C	*	.	H	α-helix	trans	-102.6	-36.3	-176.7	0	0	0	0	0	113.1	C318 I319	C318-A321 PolarHBondContact O-N 2.81Å; I319-A321 PolarHBondContact O-N 2.98Å
322	L	98.7	Very high	98.4	Very high	74 Å²	74	28 Å²	28	39%	0.387	17%	0.17	S	C	.	.	H	α-helix	trans	-119.5	-6.7	-169.4	-61.7	176.1	0	0	0	113.5	Y277 I279 C318 T325	Y277-L322 HydrophobicContact CD2-CB 4.25Å; Y277-L322 WeakPolarHBondContact CD2-O 3.2Å; I279-L322 HydrophobicContact CD1-CD1 3.33Å; C318-L322 HydrophobicContact CB-CD1 4.47Å; C318-L322 PolarHBondContact O-N 2.89Å; L322-T325 HydrophobicContact CB-CG2 3.7Å; L322-T325 HydrophobicContact CD1-CG2 4.39Å
323	G	98.8	Very high	98.1	Very high	26 Å²	26	29.9 Å²	29.9	27%	0.268	18%	0.176	S	C	.	.	S	Bend	trans	74.4	-131.4	-174.8	0	0	0	0	0	111.5	I319 T325	I319-G323 WeakPolarHBondContact CA-O 3.49Å; I319-G323 WeakPolarHBondContact O-CA 3.49Å; I319-G323 PolarHBondContact O-N 3.17Å; I319-G323 VanDerWaalsContact O-N 3.07Å; G323-T325 PolarHBondContact O-N 3.26Å
324	D	98.9	Very high	97.7	Very high	36 Å²	36	31.2 Å²	31.2	19%	0.193	19%	0.187	C	C	.	.	S	Bend	trans	-66.9	126.5	177.2	-73.8	-27.7	0	0	0	110.7	Y276 Y277 C353 P354 R364	Y276-D324 VanDerWaalsContact CA-O 3.29Å; Y276-D324 WeakPolarHBondContact CA-O 3.32Å; Y276-D324 HydrophobicContact CD1-CB 3.66Å; Y276-D324 HydrophobicContact CD2-CB 3.77Å; Y276-D324 HydrophobicContact CE1-CB 3.7Å; Y276-D324 HydrophobicContact CE2-CB 3.81Å; Y276-D324 HydrophobicContact CG-CB 3.69Å; Y277-D324 PolarHBondContact N-O 2.75Å; D324-C353 WeakPolarHBondContact OD1-CA 3.29Å; D324-C353 WeakPolarHBondContact OD1-CB 3.29Å; D324-P354 WeakPolarHBondContact OD1-CD 3.42Å; D324-R364 IonicContact OD1-CZ 3.59Å; D324-R364 IonicContact OD1-NH1 2.91Å; D324-R364 PolarHBondContact OD1-NH1 2.85Å; D324-R364 IonicContact OD1-NH2 3.82Å; D324-R364 IonicContact OD2-CZ 3.95Å; D324-R364 IonicContact OD2-NH1 3.45Å; D324-R364 PolarHBondContact OD2-NH1 2.8Å; D324-R364 IonicContact OD2-NH2 2.85Å
325	T	98.9	Very high	96.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	153.3	-176.7	58.1	0	0	0	0	112.3	Y277 I279 C318 L322 G323 A351 E352	Y277-T325 WeakPolarHBondContact O-CA 3.49Å; I279-T325 HydrophobicContact CD1-CG2 4.07Å; I279-T325 HydrophobicContact CG1-CG2 3.97Å; C318-T325 HydrophobicContact CB-CG2 3.91Å; L322-T325 HydrophobicContact CB-CG2 3.7Å; L322-T325 HydrophobicContact CD1-CG2 4.39Å; G323-T325 PolarHBondContact O-N 3.26Å; T325-A351 CarbonylContact O-C 3.51Å; T325-A351 VanDerWaalsContact O-CA 3.23Å; T325-A351 WeakPolarHBondContact O-CA 3.47Å; T325-A351 WeakPolarHBondContact O-CB 3.29Å; T325-E352 PolarHBondContact N-O 2.84Å; T325-E352 PolarHBondContact O-N 3.06Å
326	F	98.9	Very high	96	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	161.6	173.8	80	-75.4	0	0	0	111.7	R268 F271 F272 Y276 Y277 E278 I279 I328 E350 A351	R268-F326 HydrophobicContact CG-CE2 4.33Å; R268-F326 HydrophobicContact CG-CZ 4.43Å; F271-F326 HydrophobicContact CB-CD1 3.64Å; F271-F326 HydrophobicContact CB-CD2 4.35Å; F271-F326 HydrophobicContact CB-CE1 3.5Å; F271-F326 HydrophobicContact CB-CE2 4.25Å; F271-F326 HydrophobicContact CB-CG 4.05Å; F271-F326 HydrophobicContact CB-CZ 3.82Å; F271-F326 HydrophobicContact CD1-CB 4.11Å; F271-F326 HydrophobicContact CD1-CD1 4.3Å; F271-F326 HydrophobicContact CD1-CG 4.12Å; F271-F326 HydrophobicContact CD2-CB 4.18Å; F271-F326 HydrophobicContact CD2-CD1 4.11Å; F271-F326 AromaticContact CD2-CD2 3.34Å; F271-F326 HydrophobicContact CD2-CD2 3.34Å; F271-F326 HydrophobicContact CD2-CE1 4.31Å; F271-F326 AromaticContact CD2-CE2 3.61Å; F271-F326 HydrophobicContact CD2-CE2 3.61Å; F271-F326 AromaticContact CD2-CG 3.61Å; F271-F326 HydrophobicContact CD2-CG 3.61Å; F271-F326 HydrophobicContact CD2-CZ 4.08Å; F271-F326 HydrophobicContact CE1-CB 4.09Å; F271-F326 HydrophobicContact CE1-CG 4.47Å; F271-F326 HydrophobicContact CE2-CB 4.17Å; F271-F326 AromaticContact CE2-CD2 3.69Å; F271-F326 HydrophobicContact CE2-CD2 3.69Å; F271-F326 HydrophobicContact CE2-CE2 4.3Å; F271-F326 HydrophobicContact CE2-CG 4.02Å; F271-F326 HydrophobicContact CG-CB 4.17Å; F271-F326 AromaticContact CG-CD1 3.79Å; F271-F326 HydrophobicContact CG-CD1 3.79Å; F271-F326 AromaticContact CG-CD2 3.9Å; F271-F326 HydrophobicContact CG-CD2 3.9Å; F271-F326 HydrophobicContact CG-CE1 4.07Å; F271-F326 HydrophobicContact CG-CE2 4.2Å; F271-F326 AromaticContact CG-CG 3.67Å; F271-F326 HydrophobicContact CG-CG 3.67Å; F271-F326 HydrophobicContact CG-CZ 4.26Å; F271-F326 HydrophobicContact CZ-CB 4.13Å; F271-F326 HydrophobicContact CZ-CD2 4.48Å; F271-F326 HydrophobicContact CZ-CG 4.44Å; F272-F326 HydrophobicContact CD1-CE1 4.34Å; F272-F326 AromaticContact CE1-CE1 3.96Å; F272-F326 HydrophobicContact CE1-CE1 3.96Å; F272-F326 HydrophobicContact CE1-CZ 4.09Å; F272-F326 HydrophobicContact CZ-CE1 4.36Å; F272-F326 HydrophobicContact CZ-CZ 4.02Å; Y276-F326 HydrophobicContact CD1-CB 4.39Å; Y277-F326 WeakPolarHBondContact O-CD1 3.49Å; Y277-F326 PolarHBondContact O-N 2.89Å; E278-F326 CarbonylContact C-O 3.54Å; E278-F326 WeakPolarHBondContact CA-O 3.44Å; E278-F326 HydrophobicContact CB-CD1 4.32Å; E278-F326 HydrophobicContact CB-CE1 3.6Å; E278-F326 HydrophobicContact CB-CE2 4.14Å; E278-F326 HydrophobicContact CB-CZ 3.5Å; E278-F326 VanDerWaalsContact CB-CZ 3.5Å; E278-F326 HydrophobicContact CG-CE1 4.26Å; E278-F326 HydrophobicContact CG-CE2 3.88Å; E278-F326 HydrophobicContact CG-CZ 3.75Å; I279-F326 PolarHBondContact N-O 3.44Å; F326-I328 HydrophobicContact CD2-CG1 4.21Å; F326-I328 HydrophobicContact CE2-CD1 4.22Å; F326-I328 HydrophobicContact CE2-CG1 4.09Å; F326-E350 CarbonylContact C-O 3.45Å; F326-E350 WeakPolarHBondContact CA-O 3.35Å; F326-E350 VanDerWaalsContact CB-O 3.31Å; F326-E350 WeakPolarHBondContact CB-O 3.37Å; F326-A351 HydrophobicContact CB-CB 3.86Å
327	C	98.9	Very high	95	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.4	165.5	65.2	0	0	0	0	111.3	I279 P281 L315 I349 E350	I279-C327 WeakPolarHBondContact O-CB 3.27Å; P281-C327 HydrophobicContact CG-CB 4.12Å; L315-C327 HydrophobicContact CD2-CB 4.34Å; C327-I349 WeakPolarHBondContact O-CA 3.25Å; C327-E350 PolarHBondContact N-O 2.9Å; C327-E350 PolarHBondContact O-N 3.2Å
328	I	98.8	Very high	93.9	Very high	28 Å²	28	49 Å²	49	14%	0.144	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	93.1	167.4	-56.5	-177.9	0	0	0	106.7	T264 F267 R268 F326 T347 I349	T264-I328 HydrophobicContact CG2-CD1 4.25Å; T264-I328 HydrophobicContact CG2-CG2 4.5Å; F267-I328 HydrophobicContact CB-CD1 4.43Å; R268-I328 HydrophobicContact CG-CD1 3.88Å; F326-I328 HydrophobicContact CD2-CG1 4.21Å; F326-I328 HydrophobicContact CE2-CD1 4.22Å; F326-I328 HydrophobicContact CE2-CG1 4.09Å; I328-T347 HydrophobicContact CG2-CG2 3.59Å; I328-I349 HydrophobicContact CD1-CD1 4.25Å; I328-I349 HydrophobicContact CD1-CG1 4.43Å; I328-I349 HydrophobicContact CG1-CD1 4.4Å; I328-I349 HydrophobicContact CG1-CG1 4.05Å; I328-I349 HydrophobicContact CG1-CG2 4.25Å; I328-I349 HydrophobicContact CG2-CG1 4.16Å
329	A	98.4	Very high	93.1	Very high	18 Å²	18	50.3 Å²	50.3	15%	0.149	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	168.8	-172	0	0	0	0	0	111.4	H348	A329-H348 PolarHBondContact N-O 3.18Å; A329-H348 PolarHBondContact O-N 2.82Å
330	Q	98.3	Very high	92.4	Very high	62 Å²	62	52.9 Å²	52.9	29%	0.29	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	138.9	170.7	-61.3	-56.1	-30.1	0	0	109.8	Y332 E345 Y346 T347	Q330-Y332 HydrophobicContact CB-CE1 4.49Å; Q330-Y332 HydrophobicContact CB-CE2 3.92Å; Q330-Y332 WeakPolarHBondContact CB-OH 3.38Å; Q330-E345 HydrophobicContact CB-CG 4.46Å; Q330-E345 HydrophobicContact CG-CG 4.47Å; Q330-Y346 WeakPolarHBondContact CA-O 3.35Å; Q330-Y346 PolarHBondContact OE1-O 2.7Å; Q330-T347 PolarHBondContact NE2-OG1 3.26Å; Q330-T347 PolarHBondContact OE1-OG1 3.33Å
331	S	96.9	Very high	91.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	151.2	167.3	-75	0	0	0	0	109.8	Q309 E345 Y346 H348	Q309-S331 WeakPolarHBondContact O-CB 3.23Å; Q309-S331 PolarHBondContact O-OG 3.44Å; Q309-S331 VanDerWaalsContact O-OG 3.12Å; S331-E345 WeakPolarHBondContact O-CA 3.43Å; S331-Y346 WeakPolarHBondContact CB-OH 3.47Å; S331-Y346 PolarHBondContact N-O 3.32Å; S331-Y346 WeakPolarHBondContact O-CD1 3.03Å; S331-Y346 WeakPolarHBondContact O-CE1 3.5Å; S331-Y346 PolarHBondContact O-N 2.79Å; S331-H348 WeakPolarHBondContact OG-CB 3.3Å; S331-H348 PolarHBondContact OG-ND1 3.49Å
332	Y	96	Very high	91.2	Very high	37 Å²	37	47.3 Å²	47.3	15%	0.145	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.1	-169.4	-54.4	-92.1	0	0	0	111.1	L307 T308 Q309 Q330 S344 E345	L307-Y332 HydrophobicContact CB-CD1 4.46Å; L307-Y332 HydrophobicContact CB-CD2 3.6Å; L307-Y332 HydrophobicContact CB-CE2 4.26Å; L307-Y332 HydrophobicContact CB-CG 3.71Å; L307-Y332 HydrophobicContact CD1-CD1 3.76Å; L307-Y332 HydrophobicContact CD1-CD2 4.28Å; L307-Y332 HydrophobicContact CD1-CE1 4.07Å; L307-Y332 HydrophobicContact CD1-CG 3.87Å; L307-Y332 HydrophobicContact CG-CD2 4.39Å; L307-Y332 HydrophobicContact CG-CG 4.38Å; T308-Y332 HydrophobicContact CG2-CD2 4.38Å; T308-Y332 WeakPolarHBondContact O-CD2 3.1Å; T308-Y332 PolarHBondContact O-N 3.33Å; Q309-Y332 WeakPolarHBondContact CG-O 3.35Å; Q330-Y332 HydrophobicContact CB-CE1 4.49Å; Q330-Y332 HydrophobicContact CB-CE2 3.92Å; Q330-Y332 WeakPolarHBondContact CB-OH 3.38Å; Y332-S344 VanDerWaalsContact CA-O 3.23Å; Y332-S344 WeakPolarHBondContact CA-O 3.46Å; Y332-E345 HydrophobicContact CD1-CB 3.96Å; Y332-E345 HydrophobicContact CD1-CG 4.04Å; Y332-E345 HydrophobicContact CE1-CB 4.01Å; Y332-E345 HydrophobicContact CE1-CG 3.62Å; Y332-E345 PolarHBondContact OH-OE1 3.11Å
333	R	91.4	Very high	91	Very high	51 Å²	51	44.3 Å²	44.3	19%	0.192	22%	0.216	C	C	.	.			trans	-130.5	115.3	179	-62.6	178.1	-170.1	-165.3	2.2	109.7	F296 E335 S344 Y346	F296-R333 VanDerWaalsContact CE2-C 3.44Å; F296-R333 WeakPolarHBondContact CE2-O 3.09Å; R333-E335 PolarHBondContact O-N 2.86Å; R333-S344 PolarHBondContact N-O 3.19Å; R333-S344 WeakPolarHBondContact O-CA 3.21Å; R333-Y346 HydrophobicContact CG-CE1 3.97Å; R333-Y346 VanDerWaalsContact NE-CE1 3.34Å; R333-Y346 PolarHBondContact NE-OH 3.32Å; R333-Y346 PolarHBondContact NH2-OH 3.41Å
334	A	88.9	Confident	90.8	Very high	30 Å²	30	43.9 Å²	43.9	25%	0.248	21%	0.209	C	C	.	.			trans	-85.5	22	175.9	0	0	0	0	0	112.7	T294 F296	T294-A334 VanDerWaalsContact O-CB 3.32Å; T294-A334 WeakPolarHBondContact O-CB 3.37Å; T294-A334 PolarHBondContact O-N 2.83Å; F296-A334 HydrophobicContact CD1-CB 3.89Å; F296-A334 HydrophobicContact CD2-CB 3.89Å; F296-A334 HydrophobicContact CE1-CB 3.85Å; F296-A334 HydrophobicContact CE2-CB 3.87Å; F296-A334 HydrophobicContact CG-CB 3.92Å; F296-A334 HydrophobicContact CZ-CB 3.84Å
335	E	82.1	Confident	90.8	Very high	76 Å²	76	45.2 Å²	45.2	36%	0.355	21%	0.214	S	C	.	.			trans	-65.3	136.2	178.3	-167	-170.5	161.1	0	0	111.1	T294 R333 S337 H342	T294-E335 HydrophobicContact CG2-CB 4.01Å; T294-E335 HydrophobicContact CG2-CG 4.31Å; R333-E335 PolarHBondContact O-N 2.86Å; E335-S337 PolarHBondContact O-N 2.89Å; E335-S337 VanDerWaalsContact OE1-CB 3.3Å; E335-S337 WeakPolarHBondContact OE1-CB 3.22Å; E335-H342 IonicContact OE2-CD2 3.37Å; E335-H342 PolarHBondContact OE2-CD2 3.13Å; E335-H342 VanDerWaalsContact OE2-CD2 3.27Å; E335-H342 IonicContact OE2-NE2 2.74Å
336	Q	80.7	Confident	90.7	Very high	186 Å²	186	45.8 Å²	45.8	87%	0.869	22%	0.217	S	C	*	.			trans	-81.4	42.5	177.8	-64.1	-167.5	-2.8	0	0	113.1	I554	Q336-I554 HydrophobicContact CB-CD1 4.26Å
337	S	77.6	Confident	90.7	Very high	26 Å²	26	46.4 Å²	46.4	18%	0.182	22%	0.22	C	C	.	.			trans	-100.5	139.5	-178.8	-174.3	0	0	0	0	113.4	E335 T339 I554	E335-S337 PolarHBondContact O-N 2.89Å; E335-S337 VanDerWaalsContact OE1-CB 3.3Å; E335-S337 WeakPolarHBondContact OE1-CB 3.22Å; S337-T339 WeakPolarHBondContact OG-CG2 3.32Å; S337-I554 VanDerWaalsContact N-CD1 3.34Å; S337-I554 VanDerWaalsContact O-CD1 3.29Å; S337-I554 WeakPolarHBondContact O-CD1 3.49Å
338	R	75.1	Confident	90.7	Very high	175 Å²	175	46.7 Å²	46.7	66%	0.66	22%	0.222	S	C	*	.			trans	-122.1	50.1	177.3	-65.4	-174.4	-178.5	-167	-2.3	112	I554 Q555	R338-I554 HydrophobicContact CG-CD1 4.14Å; R338-Q555 VanDerWaalsContact NH2-NE2 3.1Å
339	T	82.1	Confident	90.7	Very high	51 Å²	51	45.4 Å²	45.4	31%	0.313	22%	0.215	S	C	.	.	S	Bend	trans	-97	167.9	177.5	62.6	0	0	0	0	111.1	S337 R341 H342	S337-T339 WeakPolarHBondContact OG-CG2 3.32Å; T339-R341 PolarHBondContact O-N 2.96Å; T339-R341 VanDerWaalsContact O-N 3.17Å; T339-H342 PolarHBondContact OG1-ND1 3.32Å
340	R	83.5	Confident	90.7	Very high	61 Å²	61	44.7 Å²	44.7	23%	0.23	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-9.5	-179.3	69.1	-176.9	167.9	-174.4	-11.6	114.7	E432 R436 H543 I544	R340-E432 IonicContact CZ-OE1 2.8Å; R340-E432 IonicContact NE-OE1 3.94Å; R340-E432 PolarHBondContact NE-OE1 2.94Å; R340-E432 IonicContact NH2-OE1 3.31Å; R340-E432 PolarHBondContact NH2-OE1 3.24Å; R340-R436 VanDerWaalsContact NH2-NE 3.13Å; R340-H543 PolarHBondContact O-ND1 3.42Å; R340-I544 VanDerWaalsContact O-CB 3.24Å; R340-I544 WeakPolarHBondContact O-CB 3.22Å; R340-I544 WeakPolarHBondContact O-CG2 3.34Å; R340-I544 PolarHBondContact O-N 3.4Å
341	R	84.3	Confident	90.7	Very high	17 Å²	17	41.8 Å²	41.8	6%	0.064	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-3.7	-174.1	-57.6	-166.5	-61.4	171	9.5	114.7	T339 E432 E435 V480 R533 I544	T339-R341 PolarHBondContact O-N 2.96Å; T339-R341 VanDerWaalsContact O-N 3.17Å; R341-E432 VanDerWaalsContact CZ-CD 3.41Å; R341-E432 IonicContact CZ-OE1 3.66Å; R341-E432 IonicContact CZ-OE2 2.84Å; R341-E432 IonicContact NE-OE1 3.91Å; R341-E432 PolarHBondContact NE-OE1 2.83Å; R341-E432 IonicContact NE-OE2 3.04Å; R341-E432 PolarHBondContact NE-OE2 3.18Å; R341-E432 IonicContact NH2-OE2 2.79Å; R341-E432 PolarHBondContact NH2-OE2 2.97Å; R341-E435 IonicContact CZ-OE1 3.38Å; R341-E435 IonicContact NH1-OE1 2.7Å; R341-E435 PolarHBondContact NH1-OE1 3.38Å; R341-E435 IonicContact NH2-OE1 3.26Å; R341-V480 VanDerWaalsContact CD-O 3.23Å; R341-V480 WeakPolarHBondContact CD-O 3.29Å; R341-V480 PolarHBondContact NH1-O 3.44Å; R341-R533 PolarHBondContact O-NE 2.87Å; R341-I544 VanDerWaalsContact O-CD1 3.31Å; R341-I544 WeakPolarHBondContact O-CD1 3.29Å
342	H	88.7	Confident	90.8	Very high	38 Å²	38	41.8 Å²	41.8	18%	0.176	20%	0.195	C	C	.	.			trans	-106	131.5	-175.5	-71.1	75.3	0	0	0	111.7	E335 T339	E335-H342 IonicContact OE2-CD2 3.37Å; E335-H342 PolarHBondContact OE2-CD2 3.13Å; E335-H342 VanDerWaalsContact OE2-CD2 3.27Å; E335-H342 IonicContact OE2-NE2 2.74Å; T339-H342 PolarHBondContact OG1-ND1 3.32Å
343	L	94.1	Very high	91	Very high	11 Å²	11	40 Å²	40	6%	0.058	19%	0.188	C	C	.	.			trans	-124.5	148.6	171.9	-68	171	0	0	0	108.1	E345 E532 I544 P551 R552	L343-E345 VanDerWaalsContact C-N 3.34Å; L343-E345 WeakPolarHBondContact CB-O 3.41Å; L343-E532 HydrophobicContact CD1-CB 4.12Å; L343-E532 HydrophobicContact CD1-CG 3.78Å; L343-I544 HydrophobicContact CD1-CD1 4.02Å; L343-I544 HydrophobicContact CD1-CG1 4.02Å; L343-I544 HydrophobicContact CD1-CG2 4.32Å; L343-I544 HydrophobicContact CD2-CG2 3.98Å; L343-I544 HydrophobicContact CG-CD1 4.24Å; L343-I544 HydrophobicContact CG-CG1 4.39Å; L343-I544 HydrophobicContact CG-CG2 3.84Å; L343-P551 HydrophobicContact CD2-CB 3.98Å; L343-R552 WeakPolarHBondContact CA-O 3.46Å
344	S	95.3	Very high	91.3	Very high	17 Å²	17	38.2 Å²	38.2	12%	0.119	18%	0.183	C	C	.	.	S	Bend	trans	-79.1	-21.1	173.1	-63.3	0	0	0	0	112.9	Y332 R333 R552 F553	Y332-S344 VanDerWaalsContact CA-O 3.23Å; Y332-S344 WeakPolarHBondContact CA-O 3.46Å; R333-S344 PolarHBondContact N-O 3.19Å; R333-S344 WeakPolarHBondContact O-CA 3.21Å; S344-R552 PolarHBondContact N-O 2.82Å; S344-F553 WeakPolarHBondContact OG-CA 3.32Å
345	E	97.3	Very high	91.8	Very high	64 Å²	64	44.7 Å²	44.7	30%	0.299	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	125.1	173.7	175.4	179.8	-151.4	0	0	107.3	Q330 S331 Y332 L343 R552	Q330-E345 HydrophobicContact CB-CG 4.46Å; Q330-E345 HydrophobicContact CG-CG 4.47Å; S331-E345 WeakPolarHBondContact O-CA 3.43Å; Y332-E345 HydrophobicContact CD1-CB 3.96Å; Y332-E345 HydrophobicContact CD1-CG 4.04Å; Y332-E345 HydrophobicContact CE1-CB 4.01Å; Y332-E345 HydrophobicContact CE1-CG 3.62Å; Y332-E345 PolarHBondContact OH-OE1 3.11Å; L343-E345 VanDerWaalsContact C-N 3.34Å; L343-E345 WeakPolarHBondContact CB-O 3.41Å; E345-R552 HydrophobicContact CB-CB 3.97Å; E345-R552 HydrophobicContact CB-CG 4.1Å; E345-R552 WeakPolarHBondContact OE2-CG 3.36Å
346	Y	97.6	Very high	92.6	Very high	13 Å²	13	41.5 Å²	41.5	5%	0.051	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	153.9	-178.2	69.2	-75.5	0	0	0	111.1	Q309 Q330 S331 R333 H348	Q309-Y346 PolarHBondContact O-OH 2.98Å; Q330-Y346 WeakPolarHBondContact CA-O 3.35Å; Q330-Y346 PolarHBondContact OE1-O 2.7Å; S331-Y346 WeakPolarHBondContact CB-OH 3.47Å; S331-Y346 PolarHBondContact N-O 3.32Å; S331-Y346 WeakPolarHBondContact O-CD1 3.03Å; S331-Y346 WeakPolarHBondContact O-CE1 3.5Å; S331-Y346 PolarHBondContact O-N 2.79Å; R333-Y346 HydrophobicContact CG-CE1 3.97Å; R333-Y346 VanDerWaalsContact NE-CE1 3.34Å; R333-Y346 PolarHBondContact NE-OH 3.32Å; R333-Y346 PolarHBondContact NH2-OH 3.41Å; Y346-H348 HydrophobicContact CD2-CB 4.23Å; Y346-H348 HydrophobicContact CE2-CB 3.73Å; Y346-H348 AromaticContact CE2-CD2 3.87Å; Y346-H348 AromaticContact CE2-CG 3.59Å; Y346-H348 AromaticContact CE2-ND1 3.91Å; Y346-H348 AromaticContact CZ-ND1 3.86Å; Y346-H348 PolarHBondContact O-N 3.07Å; Y346-H348 PolarHBondContact OH-CE1 3.49Å; Y346-H348 PolarHBondContact OH-ND1 3.31Å
347	T	98.8	Very high	93.4	Very high	12 Å²	12	35.2 Å²	35.2	7%	0.074	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	111.5	178.3	-57.2	0	0	0	0	108.8	R260 I328 Q330 L531 E532	R260-T347 PolarHBondContact NH2-OG1 2.89Å; I328-T347 HydrophobicContact CG2-CG2 3.59Å; Q330-T347 PolarHBondContact NE2-OG1 3.26Å; Q330-T347 PolarHBondContact OE1-OG1 3.33Å; T347-L531 HydrophobicContact CG2-CB 4.17Å; T347-L531 HydrophobicContact CG2-CD2 3.73Å; T347-L531 VanDerWaalsContact O-CB 3.32Å; T347-L531 WeakPolarHBondContact O-CB 3.38Å; T347-L531 PolarHBondContact O-N 3.31Å; T347-E532 PolarHBondContact N-OE1 2.96Å; T347-E532 PolarHBondContact N-OE2 3.15Å; T347-E532 PolarHBondContact OG1-OE1 3.22Å
348	H	98.6	Very high	94.4	Very high	8 Å²	8	34.5 Å²	34.5	4%	0.037	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.9	-176.5	-155.8	178.5	0	0	0	109.6	A329 S331 Y346 E350 G528 L529	A329-H348 PolarHBondContact N-O 3.18Å; A329-H348 PolarHBondContact O-N 2.82Å; S331-H348 WeakPolarHBondContact OG-CB 3.3Å; S331-H348 PolarHBondContact OG-ND1 3.49Å; Y346-H348 HydrophobicContact CD2-CB 4.23Å; Y346-H348 HydrophobicContact CE2-CB 3.73Å; Y346-H348 AromaticContact CE2-CD2 3.87Å; Y346-H348 AromaticContact CE2-CG 3.59Å; Y346-H348 AromaticContact CE2-ND1 3.91Å; Y346-H348 AromaticContact CZ-ND1 3.86Å; Y346-H348 PolarHBondContact O-N 3.07Å; Y346-H348 PolarHBondContact OH-CE1 3.49Å; Y346-H348 PolarHBondContact OH-ND1 3.31Å; H348-E350 HydrophobicContact CB-CG 4.38Å; H348-E350 IonicContact CE1-OE1 2.7Å; H348-E350 IonicContact ND1-OE1 2.8Å; H348-E350 IonicContact ND1-OE2 3.66Å; H348-G528 VanDerWaalsContact NE2-CA 3.32Å; H348-G528 WeakPolarHBondContact NE2-CA 3.23Å; H348-L529 PolarHBondContact CD2-O 3.07Å
349	I	98.8	Very high	95.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	110.2	173.9	-56.4	-171.6	0	0	0	107	F267 F271 C327 I328 G528 L529 L531	F267-I349 HydrophobicContact CB-CD1 4.06Å; F267-I349 HydrophobicContact CD1-CD1 3.93Å; F267-I349 HydrophobicContact CD1-CG2 4.39Å; F267-I349 HydrophobicContact CD2-CD1 3.58Å; F267-I349 HydrophobicContact CE1-CD1 4.28Å; F267-I349 HydrophobicContact CE2-CD1 3.95Å; F267-I349 HydrophobicContact CG-CD1 3.59Å; F267-I349 HydrophobicContact CZ-CD1 4.29Å; F271-I349 HydrophobicContact CE2-CG2 3.73Å; F271-I349 HydrophobicContact CZ-CG2 4.12Å; C327-I349 WeakPolarHBondContact O-CA 3.25Å; I328-I349 HydrophobicContact CD1-CD1 4.25Å; I328-I349 HydrophobicContact CD1-CG1 4.43Å; I328-I349 HydrophobicContact CG1-CD1 4.4Å; I328-I349 HydrophobicContact CG1-CG1 4.05Å; I328-I349 HydrophobicContact CG1-CG2 4.25Å; I328-I349 HydrophobicContact CG2-CG1 4.16Å; I349-G528 CarbonylContact O-C 3.5Å; I349-G528 WeakPolarHBondContact O-CA 3.33Å; I349-L529 HydrophobicContact CB-CB 4.35Å; I349-L529 HydrophobicContact CB-CD2 4.2Å; I349-L529 HydrophobicContact CD1-CD2 4.08Å; I349-L529 HydrophobicContact CG1-CD2 4.26Å; I349-L529 PolarHBondContact N-O 2.93Å; I349-L529 PolarHBondContact O-N 2.83Å; I349-L531 HydrophobicContact CD1-CB 4.31Å; I349-L531 HydrophobicContact CD1-CD1 4.11Å; I349-L531 HydrophobicContact CG1-CB 4.42Å
350	E	98.8	Very high	96.3	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.019	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.8	-175.1	-59.8	175.7	96.7	0	0	109.5	S310 S311 Q312 L315 F326 C327 H348 Y527	S310-E350 WeakPolarHBondContact CA-OE1 3.31Å; S310-E350 VanDerWaalsContact CB-OE1 3.31Å; S310-E350 WeakPolarHBondContact CB-OE1 3.17Å; S310-E350 PolarHBondContact OG-OE1 3.38Å; S311-E350 WeakPolarHBondContact CA-OE2 3.25Å; S311-E350 WeakPolarHBondContact CB-OE2 3.5Å; S311-E350 VanDerWaalsContact N-CD 3.28Å; S311-E350 PolarHBondContact N-OE1 2.93Å; S311-E350 PolarHBondContact N-OE2 2.82Å; S311-E350 PolarHBondContact OG-OE2 3.36Å; S311-E350 VanDerWaalsContact OG-OE2 3.07Å; Q312-E350 PolarHBondContact N-OE1 3.32Å; L315-E350 HydrophobicContact CD1-CB 3.67Å; F326-E350 CarbonylContact C-O 3.45Å; F326-E350 WeakPolarHBondContact CA-O 3.35Å; F326-E350 VanDerWaalsContact CB-O 3.31Å; F326-E350 WeakPolarHBondContact CB-O 3.37Å; C327-E350 PolarHBondContact N-O 2.9Å; C327-E350 PolarHBondContact O-N 3.2Å; H348-E350 HydrophobicContact CB-CG 4.38Å; H348-E350 IonicContact CE1-OE1 2.7Å; H348-E350 IonicContact ND1-OE1 2.8Å; H348-E350 IonicContact ND1-OE2 3.66Å; E350-Y527 VanDerWaalsContact CA-O 3.3Å; E350-Y527 WeakPolarHBondContact CA-O 3.44Å
351	A	98.9	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147.2	175.7	0	0	0	0	0	111.6	F271 Y276 T325 F326 G526 Y527	F271-A351 HydrophobicContact CE1-CB 3.77Å; F271-A351 HydrophobicContact CZ-CB 4.02Å; Y276-A351 HydrophobicContact CE1-CB 4.17Å; T325-A351 CarbonylContact O-C 3.51Å; T325-A351 VanDerWaalsContact O-CA 3.23Å; T325-A351 WeakPolarHBondContact O-CA 3.47Å; T325-A351 WeakPolarHBondContact O-CB 3.29Å; F326-A351 HydrophobicContact CB-CB 3.86Å; A351-G526 CarbonylContact O-C 3.55Å; A351-G526 WeakPolarHBondContact O-CA 3.5Å; A351-Y527 HydrophobicContact CB-CD2 4.35Å; A351-Y527 HydrophobicContact CB-CE1 4.38Å; A351-Y527 HydrophobicContact CB-CE2 3.67Å; A351-Y527 PolarHBondContact N-O 3.34Å; A351-Y527 PolarHBondContact O-N 2.99Å
352	E	98.9	Very high	97.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	136.7	-178.9	-159.9	71.5	-147.1	0	0	109.8	L315 E316 I319 T325 R489 H524 G525 G526	L315-E352 HydrophobicContact CB-CB 3.7Å; L315-E352 HydrophobicContact CB-CG 4.5Å; E316-E352 HydrophobicContact CG-CG 3.8Å; I319-E352 HydrophobicContact CG2-CB 3.97Å; I319-E352 HydrophobicContact CG2-CG 3.88Å; T325-E352 PolarHBondContact N-O 2.84Å; T325-E352 PolarHBondContact O-N 3.06Å; E352-R489 VanDerWaalsContact OE1-CG 3.23Å; E352-R489 WeakPolarHBondContact OE1-CG 3.25Å; E352-R489 IonicContact OE1-CZ 2.78Å; E352-R489 IonicContact OE1-NE 2.93Å; E352-R489 PolarHBondContact OE1-NE 2.84Å; E352-R489 IonicContact OE1-NH2 3.5Å; E352-R489 IonicContact OE2-CZ 3.3Å; E352-R489 IonicContact OE2-NE 3.06Å; E352-R489 PolarHBondContact OE2-NE 2.98Å; E352-R489 IonicContact OE2-NH2 2.74Å; E352-R489 PolarHBondContact OE2-NH2 3.07Å; E352-H524 IonicContact OE1-CD2 3.27Å; E352-H524 PolarHBondContact OE1-CD2 2.77Å; E352-G525 WeakPolarHBondContact OE1-CA 3.28Å; E352-G526 PolarHBondContact OE1-N 2.96Å; E352-G526 WeakPolarHBondContact OE2-CA 3.34Å
353	C	98.9	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	121.2	-168.4	-51.2	0	0	0	0	110.5	Y276 D324 I356 R364 H524 G525	Y276-C353 PolarHBondContact OH-SG 2.95Å; D324-C353 WeakPolarHBondContact OD1-CA 3.29Å; D324-C353 WeakPolarHBondContact OD1-CB 3.29Å; C353-I356 HydrophobicContact CB-CD1 3.91Å; C353-I356 HydrophobicContact CB-CG1 4.37Å; C353-I356 HydrophobicContact CB-CG2 4.09Å; C353-R364 PolarHBondContact SG-NH1 3.23Å; C353-H524 WeakPolarHBondContact O-CA 2.87Å; C353-H524 VanDerWaalsContact O-CB 3.25Å; C353-H524 WeakPolarHBondContact O-CB 3.48Å; C353-G525 PolarHBondContact N-O 3.39Å; C353-G525 PolarHBondContact O-N 2.98Å
354	P	98.9	Very high	98.5	Very high	13 Å²	13	31 Å²	31	8%	0.084	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	157.3	174.9	32.4	-33	0	0	0	112.4	I319 D324 I356	I319-P354 HydrophobicContact CB-CB 4.01Å; I319-P354 HydrophobicContact CB-CG 4Å; I319-P354 HydrophobicContact CD1-CB 3.98Å; I319-P354 HydrophobicContact CG1-CB 4.17Å; D324-P354 WeakPolarHBondContact OD1-CD 3.42Å; P354-I356 PolarHBondContact O-N 2.82Å
355	F	98.8	Very high	98.6	Very high	166 Å²	166	30.2 Å²	30.2	73%	0.728	15%	0.151	S	C	*	.	S	Bend	trans	58.7	42.1	172.9	-47.4	-69.6	0	0	0	114.6	C522 P523	F355-C522 HydrophobicContact CD1-CB 3.67Å; F355-C522 HydrophobicContact CE1-CB 3.35Å; F355-C522 HydrophobicContact CZ-CB 4.07Å; F355-P523 VanDerWaalsContact CA-O 3.27Å; F355-P523 WeakPolarHBondContact CA-O 3.23Å; F355-P523 PolarHBondContact N-O 3.49Å
356	I	98.8	Very high	98.7	Very high	9 Å²	9	27.9 Å²	27.9	5%	0.046	14%	0.14	C	C	.	.			trans	-116	156.3	177.5	64.8	162.8	0	0	0	111.8	C353 P354 D360 L361 M488 P523	C353-I356 HydrophobicContact CB-CD1 3.91Å; C353-I356 HydrophobicContact CB-CG1 4.37Å; C353-I356 HydrophobicContact CB-CG2 4.09Å; P354-I356 PolarHBondContact O-N 2.82Å; I356-D360 HydrophobicContact CB-CB 3.88Å; I356-D360 HydrophobicContact CG2-CB 4.29Å; I356-L361 HydrophobicContact CD1-CB 4.02Å; I356-L361 HydrophobicContact CD1-CD1 4.11Å; I356-M488 HydrophobicContact CD1-SD 4.11Å; I356-M488 HydrophobicContact CG1-CE 4Å; I356-M488 HydrophobicContact CG1-SD 4.1Å; I356-M488 WeakPolarHBondContact O-CE 3.41Å; I356-P523 PolarHBondContact N-O 3.02Å
357	S	98.7	Very high	98.7	Very high	54 Å²	54	29 Å²	29	38%	0.378	15%	0.147	S	C	.	.			trans	-93.9	170.5	165	69.1	0	0	0	0	111.6	E359 D360 L361	S357-E359 VanDerWaalsContact C-N 3.28Å; S357-E359 PolarHBondContact O-N 3.21Å; S357-D360 WeakPolarHBondContact CB-OD2 3.42Å; S357-D360 PolarHBondContact N-OD2 2.82Å; S357-D360 WeakPolarHBondContact O-CB 3.49Å; S357-D360 PolarHBondContact O-N 3.27Å; S357-D360 PolarHBondContact OG-N 3.4Å; S357-D360 PolarHBondContact OG-OD2 2.83Å; S357-L361 PolarHBondContact O-N 3Å
358	F	98.7	Very high	98.7	Very high	10 Å²	10	28.5 Å²	28.5	4%	0.044	14%	0.143	C	C	.	.	H	α-helix	trans	-60.8	-36.9	173.7	-174.9	-131.2	0	0	0	112.3	D360 L361 L362 C449 R450 E471 S472 V473 M488	F358-D360 VanDerWaalsContact C-N 3.35Å; F358-D360 PolarHBondContact O-N 3.34Å; F358-L361 HydrophobicContact CD2-CD2 4.17Å; F358-L361 HydrophobicContact CE2-CD2 4.37Å; F358-L361 WeakPolarHBondContact O-CB 3.24Å; F358-L361 PolarHBondContact O-N 3.26Å; F358-L362 HydrophobicContact CE1-CD1 4.22Å; F358-L362 HydrophobicContact CE2-CD2 4.01Å; F358-L362 HydrophobicContact CE2-CG 4.41Å; F358-L362 HydrophobicContact CZ-CD1 4.42Å; F358-L362 HydrophobicContact CZ-CD2 3.91Å; F358-L362 HydrophobicContact CZ-CG 4.32Å; F358-L362 WeakPolarHBondContact O-CG 3.42Å; F358-L362 PolarHBondContact O-N 3.1Å; F358-C449 HydrophobicContact CE1-CB 4.23Å; F358-C449 HydrophobicContact CZ-CB 4.05Å; F358-R450 HydrophobicContact CE1-CG 4.42Å; F358-E471 HydrophobicContact CB-CB 4.3Å; F358-E471 HydrophobicContact CB-CG 4.35Å; F358-E471 HydrophobicContact CD1-CB 4.45Å; F358-E471 HydrophobicContact CD2-CB 3.96Å; F358-E471 VanDerWaalsContact CE2-C 3.49Å; F358-E471 HydrophobicContact CE2-CB 4.41Å; F358-E471 WeakPolarHBondContact CE2-O 3.49Å; F358-E471 HydrophobicContact CG-CB 3.99Å; F358-E471 HydrophobicContact CG-CG 4.33Å; F358-S472 VanDerWaalsContact CZ-O 3.28Å; F358-S472 WeakPolarHBondContact CZ-O 3.26Å; F358-V473 HydrophobicContact CE2-CB 4.1Å; F358-V473 HydrophobicContact CE2-CG1 4.08Å; F358-V473 HydrophobicContact CZ-CB 4.17Å; F358-M488 HydrophobicContact CB-CG 3.86Å; F358-M488 HydrophobicContact CD2-CG 3.94Å; F358-M488 HydrophobicContact CG-CG 4.33Å
359	E	98.5	Very high	98.7	Very high	77 Å²	77	28.1 Å²	28.1	36%	0.36	14%	0.142	S	C	.	.	H	α-helix	trans	-67.8	-33.3	176	-74.3	-59.4	150.3	0	0	113.1	S357 L361 L362 T363 R401	S357-E359 VanDerWaalsContact C-N 3.28Å; S357-E359 PolarHBondContact O-N 3.21Å; E359-L361 VanDerWaalsContact C-N 3.34Å; E359-L362 PolarHBondContact O-N 3.35Å; E359-T363 WeakPolarHBondContact O-CB 3.45Å; E359-T363 PolarHBondContact O-N 3.19Å; E359-T363 PolarHBondContact O-OG1 3.47Å; E359-R401 IonicContact OE2-CZ 2.7Å; E359-R401 IonicContact OE2-NE 2.7Å; E359-R401 PolarHBondContact OE2-NE 3.1Å; E359-R401 IonicContact OE2-NH2 3.07Å; E359-R401 PolarHBondContact OE2-NH2 3.38Å
360	D	98.8	Very high	98.7	Very high	73 Å²	73	28.4 Å²	28.4	39%	0.39	14%	0.144	S	C	.	.	H	α-helix	trans	-64.9	-41	171.7	-62.1	-51.2	0	0	0	110.5	I356 S357 F358 T363 R364	I356-D360 HydrophobicContact CB-CB 3.88Å; I356-D360 HydrophobicContact CG2-CB 4.29Å; S357-D360 WeakPolarHBondContact CB-OD2 3.42Å; S357-D360 PolarHBondContact N-OD2 2.82Å; S357-D360 WeakPolarHBondContact O-CB 3.49Å; S357-D360 PolarHBondContact O-N 3.27Å; S357-D360 PolarHBondContact OG-N 3.4Å; S357-D360 PolarHBondContact OG-OD2 2.83Å; F358-D360 VanDerWaalsContact C-N 3.35Å; F358-D360 PolarHBondContact O-N 3.34Å; D360-T363 PolarHBondContact O-N 2.72Å; D360-R364 WeakPolarHBondContact O-CB 3.41Å; D360-R364 VanDerWaalsContact O-CG 3.3Å; D360-R364 WeakPolarHBondContact O-CG 3.24Å; D360-R364 PolarHBondContact O-N 3.11Å
361	L	98.8	Very high	98.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.7	-48.8	174.5	-175.6	64.5	0	0	0	111.3	I356 S357 F358 E359 T363 R364 L365 V473 S487 M488 Y527	I356-L361 HydrophobicContact CD1-CB 4.02Å; I356-L361 HydrophobicContact CD1-CD1 4.11Å; S357-L361 PolarHBondContact O-N 3Å; F358-L361 HydrophobicContact CD2-CD2 4.17Å; F358-L361 HydrophobicContact CE2-CD2 4.37Å; F358-L361 WeakPolarHBondContact O-CB 3.24Å; F358-L361 PolarHBondContact O-N 3.26Å; E359-L361 VanDerWaalsContact C-N 3.34Å; L361-T363 VanDerWaalsContact C-N 3.3Å; L361-T363 PolarHBondContact O-N 2.82Å; L361-R364 PolarHBondContact O-N 3.41Å; L361-L365 WeakPolarHBondContact O-CG 3.34Å; L361-L365 PolarHBondContact O-N 2.82Å; L361-V473 HydrophobicContact CD2-CG1 4.19Å; L361-S487 VanDerWaalsContact CD2-C 3.48Å; L361-M488 HydrophobicContact CB-SD 4.2Å; L361-M488 HydrophobicContact CD2-CG 4.48Å; L361-M488 HydrophobicContact CD2-SD 4.16Å; L361-Y527 HydrophobicContact CD1-CD1 3.75Å; L361-Y527 HydrophobicContact CD1-CE1 4.36Å
362	L	98.7	Very high	98.7	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-58.6	-42.5	176.7	-63.2	-173.9	0	0	0	111.8	F358 E359 L365 E366 L447 V473	F358-L362 HydrophobicContact CE1-CD1 4.22Å; F358-L362 HydrophobicContact CE2-CD2 4.01Å; F358-L362 HydrophobicContact CE2-CG 4.41Å; F358-L362 HydrophobicContact CZ-CD1 4.42Å; F358-L362 HydrophobicContact CZ-CD2 3.91Å; F358-L362 HydrophobicContact CZ-CG 4.32Å; F358-L362 WeakPolarHBondContact O-CG 3.42Å; F358-L362 PolarHBondContact O-N 3.1Å; E359-L362 PolarHBondContact O-N 3.35Å; L362-L365 PolarHBondContact O-N 2.87Å; L362-E366 PolarHBondContact O-N 2.83Å; L362-E366 VanDerWaalsContact O-N 3.13Å; L362-L447 HydrophobicContact CB-CD1 4.17Å; L362-L447 HydrophobicContact CD2-CD1 4.36Å; L362-V473 HydrophobicContact CD2-CB 3.64Å; L362-V473 HydrophobicContact CD2-CG1 3.88Å; L362-V473 HydrophobicContact CD2-CG2 3.48Å; L362-V473 VanDerWaalsContact CD2-CG2 3.48Å
363	T	98.5	Very high	98.6	Very high	67 Å²	67	29.2 Å²	29.2	41%	0.411	15%	0.149	S	C	.	.	H	α-helix	trans	-66.6	-41.3	178.5	-58	0	0	0	0	111.8	E359 D360 L361 E366 D367	E359-T363 WeakPolarHBondContact O-CB 3.45Å; E359-T363 PolarHBondContact O-N 3.19Å; E359-T363 PolarHBondContact O-OG1 3.47Å; D360-T363 PolarHBondContact O-N 2.72Å; L361-T363 VanDerWaalsContact C-N 3.3Å; L361-T363 PolarHBondContact O-N 2.82Å; T363-E366 PolarHBondContact O-N 2.9Å; T363-D367 VanDerWaalsContact O-CB 3.26Å; T363-D367 WeakPolarHBondContact O-CB 3.32Å; T363-D367 PolarHBondContact O-N 3.46Å
364	R	98.7	Very high	98.6	Very high	63 Å²	63	32.6 Å²	32.6	24%	0.238	17%	0.166	C	C	.	.	H	α-helix	trans	-64.4	-37.9	176.2	-73.4	-178.5	-171.7	-136.9	9.5	111.8	Y276 D324 C353 D360 L361 D367 L368	Y276-R364 PolarHBondContact OH-NH1 2.9Å; D324-R364 IonicContact OD1-CZ 3.59Å; D324-R364 IonicContact OD1-NH1 2.91Å; D324-R364 PolarHBondContact OD1-NH1 2.85Å; D324-R364 IonicContact OD1-NH2 3.82Å; D324-R364 IonicContact OD2-CZ 3.95Å; D324-R364 IonicContact OD2-NH1 3.45Å; D324-R364 PolarHBondContact OD2-NH1 2.8Å; D324-R364 IonicContact OD2-NH2 2.85Å; C353-R364 PolarHBondContact SG-NH1 3.23Å; D360-R364 WeakPolarHBondContact O-CB 3.41Å; D360-R364 VanDerWaalsContact O-CG 3.3Å; D360-R364 WeakPolarHBondContact O-CG 3.24Å; D360-R364 PolarHBondContact O-N 3.11Å; L361-R364 PolarHBondContact O-N 3.41Å; R364-D367 PolarHBondContact O-N 3.38Å; R364-L368 VanDerWaalsContact O-CB 3.3Å; R364-L368 WeakPolarHBondContact O-CB 3.24Å; R364-L368 PolarHBondContact O-N 3.17Å
365	L	98.7	Very high	98.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.8	-45.6	175.8	-75.3	173.8	0	0	0	112.8	L361 L362 D367 L368 V369 V473 V475 V484 Y527	L361-L365 WeakPolarHBondContact O-CG 3.34Å; L361-L365 PolarHBondContact O-N 2.82Å; L362-L365 PolarHBondContact O-N 2.87Å; L365-D367 VanDerWaalsContact C-N 3.34Å; L365-L368 PolarHBondContact O-N 3.07Å; L365-V369 PolarHBondContact O-N 3.18Å; L365-V473 HydrophobicContact CD1-CB 4.4Å; L365-V473 HydrophobicContact CD1-CG1 3.4Å; L365-V473 HydrophobicContact CD1-CG2 4.1Å; L365-V475 HydrophobicContact CB-CG2 4.3Å; L365-V475 HydrophobicContact CD1-CG2 4.09Å; L365-V475 HydrophobicContact CD2-CG2 4.38Å; L365-V484 HydrophobicContact CD2-CB 4.47Å; L365-V484 HydrophobicContact CD2-CG1 3.58Å; L365-Y527 HydrophobicContact CD2-CD1 3.59Å; L365-Y527 HydrophobicContact CD2-CD2 3.97Å; L365-Y527 HydrophobicContact CD2-CE1 4.15Å; L365-Y527 HydrophobicContact CD2-CE2 4.5Å; L365-Y527 HydrophobicContact CD2-CG 3.48Å; L365-Y527 VanDerWaalsContact CD2-CG 3.48Å; L365-Y527 HydrophobicContact CG-CD1 4.15Å; L365-Y527 HydrophobicContact CG-CG 4.47Å
366	E	98.2	Very high	98.6	Very high	14 Å²	14	26.8 Å²	26.8	7%	0.065	14%	0.138	C	C	.	.	H	α-helix	trans	-61.1	-45.7	175.2	-178	-176.1	113.2	0	0	111.3	L362 T363 V369 C370 R397 P398 F399	L362-E366 PolarHBondContact O-N 2.83Å; L362-E366 VanDerWaalsContact O-N 3.13Å; T363-E366 PolarHBondContact O-N 2.9Å; E366-V369 PolarHBondContact O-N 3.45Å; E366-C370 WeakPolarHBondContact O-CB 3.39Å; E366-C370 PolarHBondContact O-N 3.01Å; E366-C370 PolarHBondContact O-SG 3.34Å; E366-R397 HydrophobicContact CG-CG 4.08Å; E366-R397 WeakPolarHBondContact OE1-CB 3.2Å; E366-R397 WeakPolarHBondContact OE1-CG 3.47Å; E366-R397 IonicContact OE1-CZ 2.8Å; E366-R397 IonicContact OE1-NE 3.03Å; E366-R397 PolarHBondContact OE1-NE 3.1Å; E366-R397 IonicContact OE1-NH2 2.85Å; E366-R397 PolarHBondContact OE1-NH2 3.02Å; E366-P398 WeakPolarHBondContact OE2-CA 3.5Å; E366-F399 HydrophobicContact CB-CD2 4.03Å; E366-F399 HydrophobicContact CB-CE2 4.13Å; E366-F399 HydrophobicContact CB-CG 4.44Å; E366-F399 HydrophobicContact CG-CD1 4Å; E366-F399 HydrophobicContact CG-CD2 3.95Å; E366-F399 HydrophobicContact CG-CE1 4.03Å; E366-F399 HydrophobicContact CG-CE2 4.01Å; E366-F399 HydrophobicContact CG-CG 3.95Å; E366-F399 HydrophobicContact CG-CZ 4.05Å; E366-F399 PolarHBondContact OE2-N 2.85Å
367	D	98.6	Very high	98.6	Very high	38 Å²	38	28.2 Å²	28.2	20%	0.203	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-42.5	179	-178.3	61.5	0	0	0	112.4	H270 R274 T363 R364 L365 D371 R397	H270-D367 IonicContact CE1-OD2 3.82Å; R274-D367 IonicContact CZ-OD2 3.38Å; R274-D367 IonicContact NE-OD2 2.83Å; R274-D367 PolarHBondContact NE-OD2 2.96Å; R274-D367 IonicContact NH2-OD1 3.49Å; R274-D367 PolarHBondContact NH2-OD1 2.99Å; R274-D367 IonicContact NH2-OD2 2.93Å; R274-D367 PolarHBondContact NH2-OD2 3.35Å; T363-D367 VanDerWaalsContact O-CB 3.26Å; T363-D367 WeakPolarHBondContact O-CB 3.32Å; T363-D367 PolarHBondContact O-N 3.46Å; R364-D367 PolarHBondContact O-N 3.38Å; L365-D367 VanDerWaalsContact C-N 3.34Å; D367-D371 WeakPolarHBondContact O-CB 3.41Å; D367-D371 PolarHBondContact O-N 2.84Å; D367-R397 IonicContact OD1-NH1 2.75Å
368	L	98.8	Very high	98.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-54.1	-55.9	174.1	175.1	68.5	0	0	0	111.8	F267 H270 F271 R364 L365 V372 Y527	F267-L368 HydrophobicContact CD1-CD1 3.91Å; F267-L368 HydrophobicContact CE1-CD1 3.91Å; F267-L368 HydrophobicContact CE1-CD2 4.47Å; F267-L368 HydrophobicContact CE1-CG 4.18Å; H270-L368 WeakPolarHBondContact CD2-CD1 3.1Å; H270-L368 WeakPolarHBondContact CE1-CA 3.31Å; H270-L368 WeakPolarHBondContact NE2-CD1 3.44Å; F271-L368 HydrophobicContact CE1-CD1 4.27Å; F271-L368 HydrophobicContact CE2-CD1 4.36Å; F271-L368 HydrophobicContact CZ-CD1 3.89Å; R364-L368 VanDerWaalsContact O-CB 3.3Å; R364-L368 WeakPolarHBondContact O-CB 3.24Å; R364-L368 PolarHBondContact O-N 3.17Å; L365-L368 PolarHBondContact O-N 3.07Å; L368-V372 HydrophobicContact CD1-CG2 4.16Å; L368-V372 VanDerWaalsContact O-CB 3.31Å; L368-V372 WeakPolarHBondContact O-CB 3.44Å; L368-V372 WeakPolarHBondContact O-CG2 3.45Å; L368-V372 PolarHBondContact O-N 3.01Å; L368-V372 VanDerWaalsContact O-N 3.11Å; L368-Y527 HydrophobicContact CD2-CD2 4.15Å; L368-Y527 HydrophobicContact CD2-CE2 3.45Å; L368-Y527 VanDerWaalsContact CD2-CE2 3.45Å
369	V	98.3	Very high	98.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.3	-46.2	-174.5	173.2	0	0	0	0	110.8	L365 E366 V373 P395 F399 M477 I483 F534 W537	L365-V369 PolarHBondContact O-N 3.18Å; E366-V369 PolarHBondContact O-N 3.45Å; V369-V373 VanDerWaalsContact O-CG2 3.26Å; V369-V373 WeakPolarHBondContact O-CG2 3.49Å; V369-V373 PolarHBondContact O-N 2.9Å; V369-V373 VanDerWaalsContact O-N 3.16Å; V369-P395 HydrophobicContact CG1-CG 4.21Å; V369-F399 HydrophobicContact CB-CE2 4.27Å; V369-F399 HydrophobicContact CB-CZ 4.22Å; V369-F399 HydrophobicContact CG1-CE2 4.48Å; V369-F399 HydrophobicContact CG1-CZ 4.15Å; V369-M477 HydrophobicContact CG1-CE 3.48Å; V369-M477 VanDerWaalsContact CG1-CE 3.48Å; V369-I483 HydrophobicContact CG2-CD1 4.47Å; V369-F534 HydrophobicContact CG1-CE2 4.28Å; V369-W537 HydrophobicContact CG1-CH2 4Å; V369-W537 HydrophobicContact CG1-CZ3 4.21Å
370	C	98.5	Very high	98.1	Very high	7 Å²	7	37.2 Å²	37.2	5%	0.047	19%	0.188	C	C	.	.	H	α-helix	trans	-67.1	-48.4	-178	-63.6	0	0	0	0	112.2	E366 V372 V373 D374 R397 F399	E366-C370 WeakPolarHBondContact O-CB 3.39Å; E366-C370 PolarHBondContact O-N 3.01Å; E366-C370 PolarHBondContact O-SG 3.34Å; C370-V372 PolarHBondContact O-N 2.77Å; C370-V373 PolarHBondContact O-N 2.76Å; C370-D374 PolarHBondContact O-N 3.02Å; C370-R397 HydrophobicContact CB-CG 4.31Å; C370-R397 WeakPolarHBondContact SG-CG 3.3Å; C370-F399 VanDerWaalsContact SG-CE1 3.6Å; C370-F399 VanDerWaalsContact SG-CZ 3.53Å
371	D	98.8	Very high	98	Very high	21 Å²	21	33.9 Å²	33.9	11%	0.112	17%	0.17	C	C	.	.	H	α-helix	trans	-66.7	-38.1	-177.1	-178.4	53	0	0	0	111.9	H270 R274 D367 D374 R375 R378	H270-D371 IonicContact CE1-OD2 3.34Å; H270-D371 IonicContact CG-OD2 3.75Å; H270-D371 IonicContact ND1-OD2 3.72Å; H270-D371 PolarHBondContact ND1-OD2 2.87Å; R274-D371 IonicContact CZ-OD2 3.8Å; R274-D371 IonicContact NH1-OD2 2.82Å; R274-D371 PolarHBondContact NH1-OD2 3.49Å; R274-D371 IonicContact NH2-OD2 3.52Å; R274-D371 PolarHBondContact NH2-OD2 2.75Å; D367-D371 WeakPolarHBondContact O-CB 3.41Å; D367-D371 PolarHBondContact O-N 2.84Å; D371-D374 PolarHBondContact O-N 2.85Å; D371-R375 VanDerWaalsContact CG-NE 3.35Å; D371-R375 WeakPolarHBondContact O-CB 3.37Å; D371-R375 VanDerWaalsContact O-CG 3.24Å; D371-R375 WeakPolarHBondContact O-CG 3.34Å; D371-R375 PolarHBondContact O-N 3.25Å; D371-R375 IonicContact OD1-CZ 3.96Å; D371-R375 IonicContact OD1-NE 3.32Å; D371-R375 PolarHBondContact OD1-NE 3.23Å; D371-R375 IonicContact OD1-NH2 2.67Å; D371-R375 IonicContact OD2-CZ 3.24Å; D371-R375 IonicContact OD2-NE 3.97Å; D371-R375 PolarHBondContact OD2-NE 3.43Å; D371-R375 IonicContact OD2-NH2 3.38Å; D371-R375 PolarHBondContact OD2-NH2 3.32Å; D371-R378 IonicContact OD1-NH2 3.35Å
372	V	98.8	Very high	97.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-43.2	175.4	171.4	0	0	0	0	111	C266 F267 H270 L368 C370 R375 V376 F534	C266-V372 HydrophobicContact CB-CG1 4.11Å; F267-V372 HydrophobicContact CD1-CG1 4.27Å; F267-V372 HydrophobicContact CD1-CG2 3.7Å; F267-V372 HydrophobicContact CD2-CG1 3.92Å; F267-V372 HydrophobicContact CE1-CB 4.38Å; F267-V372 HydrophobicContact CE1-CG1 4.17Å; F267-V372 HydrophobicContact CE1-CG2 3.9Å; F267-V372 HydrophobicContact CE2-CG1 3.82Å; F267-V372 HydrophobicContact CG-CG1 4.13Å; F267-V372 HydrophobicContact CG-CG2 4.12Å; F267-V372 HydrophobicContact CZ-CG1 3.94Å; F267-V372 HydrophobicContact CZ-CG2 4.5Å; H270-V372 HydrophobicContact CB-CG2 3.73Å; L368-V372 HydrophobicContact CD1-CG2 4.16Å; L368-V372 VanDerWaalsContact O-CB 3.31Å; L368-V372 WeakPolarHBondContact O-CB 3.44Å; L368-V372 WeakPolarHBondContact O-CG2 3.45Å; L368-V372 PolarHBondContact O-N 3.01Å; L368-V372 VanDerWaalsContact O-N 3.11Å; C370-V372 PolarHBondContact O-N 2.77Å; V372-R375 PolarHBondContact O-N 3.21Å; V372-V376 VanDerWaalsContact O-CG2 3.3Å; V372-V376 WeakPolarHBondContact O-CG2 3.44Å; V372-V376 PolarHBondContact O-N 3.41Å; V372-F534 HydrophobicContact CG1-CE1 4.35Å; V372-F534 HydrophobicContact CG1-CZ 4.11Å
373	V	98.5	Very high	97.7	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-59.2	-47.7	173.6	169.2	0	0	0	0	110.6	V369 C370 R375 V376 L377 F392 P394 F534 W537 L538	V369-V373 VanDerWaalsContact O-CG2 3.26Å; V369-V373 WeakPolarHBondContact O-CG2 3.49Å; V369-V373 PolarHBondContact O-N 2.9Å; V369-V373 VanDerWaalsContact O-N 3.16Å; C370-V373 PolarHBondContact O-N 2.76Å; V373-R375 VanDerWaalsContact C-N 3.28Å; V373-R375 PolarHBondContact O-N 3Å; V373-V376 PolarHBondContact O-N 3.47Å; V373-V376 VanDerWaalsContact O-N 3.13Å; V373-L377 HydrophobicContact CG1-CD1 3.84Å; V373-L377 HydrophobicContact CG1-CG 4.31Å; V373-L377 WeakPolarHBondContact O-CG 3.44Å; V373-L377 PolarHBondContact O-N 2.93Å; V373-F392 HydrophobicContact CG1-CE1 3.76Å; V373-F392 HydrophobicContact CG1-CZ 3.81Å; V373-F392 HydrophobicContact CG2-CZ 4.4Å; V373-P394 HydrophobicContact CG1-CB 4.13Å; V373-F534 HydrophobicContact CG2-CZ 4.14Å; V373-W537 HydrophobicContact CG2-CH2 3.81Å; V373-W537 HydrophobicContact CG2-CZ3 3.93Å; V373-L538 HydrophobicContact CG2-CD1 4.23Å
374	D	98.6	Very high	97.5	Very high	70 Å²	70	38.4 Å²	38.4	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-61.5	-35.5	179.3	-72.7	-18.8	0	0	0	112.6	C370 D371 R378	C370-D374 PolarHBondContact O-N 3.02Å; D371-D374 PolarHBondContact O-N 2.85Å; D374-R378 WeakPolarHBondContact O-CB 3.2Å; D374-R378 WeakPolarHBondContact O-CG 3.44Å; D374-R378 PolarHBondContact O-N 3.41Å; D374-R378 VanDerWaalsContact O-N 3.12Å; D374-R378 PolarHBondContact O-NE 2.67Å
375	R	98.7	Very high	97.4	Very high	57 Å²	57	35.4 Å²	35.4	22%	0.215	18%	0.179	C	C	.	.	H	α-helix	trans	-67.7	-42.6	174.5	-73	169.1	-171	-98	-0.6	111.6	C266 D269 S273 D371 V372 V373 L377 R378 S379	C266-R375 HydrophobicContact CB-CB 3.89Å; D269-R375 PolarHBondContact O-NH1 2.96Å; S273-R375 PolarHBondContact OG-NH2 2.64Å; D371-R375 VanDerWaalsContact CG-NE 3.35Å; D371-R375 WeakPolarHBondContact O-CB 3.37Å; D371-R375 VanDerWaalsContact O-CG 3.24Å; D371-R375 WeakPolarHBondContact O-CG 3.34Å; D371-R375 PolarHBondContact O-N 3.25Å; D371-R375 IonicContact OD1-CZ 3.96Å; D371-R375 IonicContact OD1-NE 3.32Å; D371-R375 PolarHBondContact OD1-NE 3.23Å; D371-R375 IonicContact OD1-NH2 2.67Å; D371-R375 IonicContact OD2-CZ 3.24Å; D371-R375 IonicContact OD2-NE 3.97Å; D371-R375 PolarHBondContact OD2-NE 3.43Å; D371-R375 IonicContact OD2-NH2 3.38Å; D371-R375 PolarHBondContact OD2-NH2 3.32Å; V372-R375 PolarHBondContact O-N 3.21Å; V373-R375 VanDerWaalsContact C-N 3.28Å; V373-R375 PolarHBondContact O-N 3Å; R375-L377 VanDerWaalsContact C-N 3.34Å; R375-L377 PolarHBondContact O-N 2.76Å; R375-R378 PolarHBondContact O-N 2.95Å; R375-S379 WeakPolarHBondContact O-CB 3.46Å; R375-S379 PolarHBondContact O-N 3.25Å
376	V	98.6	Very high	97.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-44	175.7	173.7	0	0	0	0	110.7	V263 C266 V372 V373 R378 S379 L385 L538	V263-V376 HydrophobicContact CB-CG2 4.38Å; V263-V376 HydrophobicContact CG2-CG1 4.38Å; V263-V376 HydrophobicContact CG2-CG2 3.72Å; C266-V376 HydrophobicContact CB-CG2 3.97Å; V372-V376 VanDerWaalsContact O-CG2 3.3Å; V372-V376 WeakPolarHBondContact O-CG2 3.44Å; V372-V376 PolarHBondContact O-N 3.41Å; V373-V376 PolarHBondContact O-N 3.47Å; V373-V376 VanDerWaalsContact O-N 3.13Å; V376-R378 VanDerWaalsContact C-N 3.27Å; V376-R378 PolarHBondContact O-N 3.18Å; V376-S379 WeakPolarHBondContact O-CB 3.24Å; V376-S379 PolarHBondContact O-N 2.82Å; V376-S379 PolarHBondContact O-OG 3.47Å; V376-L385 HydrophobicContact CG1-CD1 3.91Å; V376-L538 HydrophobicContact CG1-CD2 4.47Å
377	L	98.2	Very high	97.2	Very high	40 Å²	40	42 Å²	42	21%	0.209	21%	0.209	C	C	.	.	H	α-helix	trans	-69.3	-23.3	179.7	-64.7	175.8	0	0	0	113.7	V373 R375 A382 L385 Y386 F392 P394	V373-L377 HydrophobicContact CG1-CD1 3.84Å; V373-L377 HydrophobicContact CG1-CG 4.31Å; V373-L377 WeakPolarHBondContact O-CG 3.44Å; V373-L377 PolarHBondContact O-N 2.93Å; R375-L377 VanDerWaalsContact C-N 3.34Å; R375-L377 PolarHBondContact O-N 2.76Å; L377-A382 VanDerWaalsContact O-CB 3.29Å; L377-A382 WeakPolarHBondContact O-CB 3.42Å; L377-L385 HydrophobicContact CD2-CD1 4.32Å; L377-Y386 HydrophobicContact CD2-CE2 3.78Å; L377-F392 HydrophobicContact CD1-CE1 4.3Å; L377-F392 HydrophobicContact CD2-CD1 4.34Å; L377-F392 HydrophobicContact CD2-CE1 4.35Å; L377-P394 HydrophobicContact CD1-CB 4.42Å; L377-P394 HydrophobicContact CD1-CG 3.63Å
378	R	98.1	Very high	97.1	Very high	177 Å²	177	41.1 Å²	41.1	67%	0.668	20%	0.204	S	C	*	.	H	α-helix	trans	-85	-12.5	170.7	-74.2	177.8	-81.9	172.2	-6.7	113.4	D371 D374 R375 V376	D371-R378 IonicContact OD1-NH2 3.35Å; D374-R378 WeakPolarHBondContact O-CB 3.2Å; D374-R378 WeakPolarHBondContact O-CG 3.44Å; D374-R378 PolarHBondContact O-N 3.41Å; D374-R378 VanDerWaalsContact O-N 3.12Å; D374-R378 PolarHBondContact O-NE 2.67Å; R375-R378 PolarHBondContact O-N 2.95Å; V376-R378 VanDerWaalsContact C-N 3.27Å; V376-R378 PolarHBondContact O-N 3.18Å
379	S	97.1	Very high	97	Very high	22 Å²	22	41.7 Å²	41.7	15%	0.154	21%	0.207	C	C	.	.	S	Bend	trans	-85.4	163.4	-178.9	82.1	0	0	0	0	112.3	T262 R375 V376 A381 A382	T262-S379 WeakPolarHBondContact CG2-OG 3.5Å; R375-S379 WeakPolarHBondContact O-CB 3.46Å; R375-S379 PolarHBondContact O-N 3.25Å; V376-S379 WeakPolarHBondContact O-CB 3.24Å; V376-S379 PolarHBondContact O-N 2.82Å; V376-S379 PolarHBondContact O-OG 3.47Å; S379-A381 PolarHBondContact O-N 2.96Å; S379-A381 WeakPolarHBondContact OG-CB 3.39Å; S379-A381 PolarHBondContact OG-N 3.2Å; S379-A381 VanDerWaalsContact OG-N 3.16Å; S379-A382 WeakPolarHBondContact O-CB 3.08Å; S379-A382 PolarHBondContact O-N 3.41Å; S379-A382 VanDerWaalsContact O-N 3.07Å
380	P	91.1	Very high	96.9	Very high	130 Å²	130	45.9 Å²	45.9	84%	0.844	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-16.9	171.1	-25.2	35.4	0	0	0	114.7	A382	P380-A382 VanDerWaalsContact C-N 3.27Å; P380-A382 PolarHBondContact O-N 2.9Å
381	A	95.1	Very high	96.8	Very high	3 Å²	3	52 Å²	52	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-77.1	-9.7	177.3	0	0	0	0	0	113.5	V259 T262 S379 Q383 L384 L385	V259-A381 HydrophobicContact CG2-CB 4.43Å; T262-A381 HydrophobicContact CG2-CB 3.67Å; S379-A381 PolarHBondContact O-N 2.96Å; S379-A381 WeakPolarHBondContact OG-CB 3.39Å; S379-A381 PolarHBondContact OG-N 3.2Å; S379-A381 VanDerWaalsContact OG-N 3.16Å; A381-Q383 VanDerWaalsContact C-N 3.31Å; A381-Q383 PolarHBondContact O-N 3.34Å; A381-L384 WeakPolarHBondContact O-CB 3.43Å; A381-L384 PolarHBondContact O-N 3.29Å; A381-L385 PolarHBondContact O-N 3.43Å
382	A	97.1	Very high	96.7	Very high	15 Å²	15	51.8 Å²	51.8	12%	0.124	27%	0.265	C	S	.	.	H	α-helix	trans	-55.5	-45.5	178.4	0	0	0	0	0	112.1	L377 S379 P380 L384 L385 Y386	L377-A382 VanDerWaalsContact O-CB 3.29Å; L377-A382 WeakPolarHBondContact O-CB 3.42Å; S379-A382 WeakPolarHBondContact O-CB 3.08Å; S379-A382 PolarHBondContact O-N 3.41Å; S379-A382 VanDerWaalsContact O-N 3.07Å; P380-A382 VanDerWaalsContact C-N 3.27Å; P380-A382 PolarHBondContact O-N 2.9Å; A382-L384 VanDerWaalsContact C-N 3.32Å; A382-L384 PolarHBondContact O-N 2.94Å; A382-L385 WeakPolarHBondContact O-CB 3.31Å; A382-L385 PolarHBondContact O-N 3Å; A382-Y386 WeakPolarHBondContact O-CD2 3.4Å; A382-Y386 PolarHBondContact O-N 3.07Å
383	Q	94.4	Very high	96.4	Very high	125 Å²	125	60 Å²	60	58%	0.584	30%	0.3	S	S	*	.	H	α-helix	trans	-62.1	-41.4	176.3	-174.2	60	53.3	0	0	111.5	A381 L385 Y386 D387	A381-Q383 VanDerWaalsContact C-N 3.31Å; A381-Q383 PolarHBondContact O-N 3.34Å; Q383-L385 VanDerWaalsContact C-N 3.3Å; Q383-L385 PolarHBondContact O-N 2.67Å; Q383-Y386 PolarHBondContact O-N 3.43Å; Q383-D387 PolarHBondContact NE2-OD1 3.13Å; Q383-D387 WeakPolarHBondContact O-CB 3.33Å; Q383-D387 VanDerWaalsContact O-CG 3.23Å; Q383-D387 PolarHBondContact O-N 2.97Å; Q383-D387 VanDerWaalsContact O-OD1 3.12Å
384	L	95.3	Very high	96.3	Very high	24 Å²	24	62.6 Å²	62.6	13%	0.126	32%	0.317	C	S	.	.	H	α-helix	trans	-65.5	-35.2	178.3	-54.8	-177.2	0	0	0	112.1	K255 R258 V259 A381 A382 I388	K255-L384 HydrophobicContact CD-CD2 4.36Å; K255-L384 HydrophobicContact CG-CD2 4.14Å; R258-L384 HydrophobicContact CB-CD1 3.87Å; V259-L384 HydrophobicContact CG2-CB 3.65Å; A381-L384 WeakPolarHBondContact O-CB 3.43Å; A381-L384 PolarHBondContact O-N 3.29Å; A382-L384 VanDerWaalsContact C-N 3.32Å; A382-L384 PolarHBondContact O-N 2.94Å; L384-I388 WeakPolarHBondContact O-CD1 3.25Å; L384-I388 WeakPolarHBondContact O-CG1 3.46Å; L384-I388 PolarHBondContact O-N 2.99Å
385	L	97.1	Very high	96.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-51.8	173	178	163.6	0	0	0	110	V376 L377 A381 A382 Q383 D387 I388 N389 F392 L538 L539	V376-L385 HydrophobicContact CG1-CD1 3.91Å; L377-L385 HydrophobicContact CD2-CD1 4.32Å; A381-L385 PolarHBondContact O-N 3.43Å; A382-L385 WeakPolarHBondContact O-CB 3.31Å; A382-L385 PolarHBondContact O-N 3Å; Q383-L385 VanDerWaalsContact C-N 3.3Å; Q383-L385 PolarHBondContact O-N 2.67Å; L385-D387 VanDerWaalsContact C-N 3.31Å; L385-D387 PolarHBondContact O-N 2.99Å; L385-I388 PolarHBondContact O-N 3.25Å; L385-N389 PolarHBondContact O-N 2.63Å; L385-F392 HydrophobicContact CD1-CD1 4.46Å; L385-F392 HydrophobicContact CD2-CB 3.76Å; L385-F392 HydrophobicContact CD2-CD1 3.87Å; L385-F392 HydrophobicContact CD2-CG 3.9Å; L385-L538 HydrophobicContact CD1-CD1 3.77Å; L385-L538 HydrophobicContact CD1-CD2 3.99Å; L385-L538 HydrophobicContact CD1-CG 3.69Å; L385-L539 HydrophobicContact CB-CD2 4.46Å; L385-L539 HydrophobicContact CG-CD2 4.3Å
386	Y	97.2	Very high	95.8	Very high	81 Å²	81	66.4 Å²	66.4	32%	0.318	33%	0.334	S	S	.	.	H	α-helix	trans	-68.2	-27.4	-179	-74.7	-64.3	0	0	0	113.5	L377 A382 Q383 I388 N389 P390 F392	L377-Y386 HydrophobicContact CD2-CE2 3.78Å; A382-Y386 WeakPolarHBondContact O-CD2 3.4Å; A382-Y386 PolarHBondContact O-N 3.07Å; Q383-Y386 PolarHBondContact O-N 3.43Å; Y386-I388 PolarHBondContact O-N 3.48Å; Y386-N389 CarbonylContact O-C 3.56Å; Y386-P390 VanDerWaalsContact O-CA 3.28Å; Y386-P390 WeakPolarHBondContact O-CA 3.4Å; Y386-P390 WeakPolarHBondContact O-CG 3.23Å; Y386-F392 HydrophobicContact CE1-CB 4.1Å
387	D	94.9	Very high	95.6	Very high	72 Å²	72	72.8 Å²	72.8	39%	0.385	36%	0.358	S	S	.	.	H	α-helix	trans	-61.1	-30.9	169.5	-76	5.4	0	0	0	112.1	K255 Q383 L385	K255-D387 HydrophobicContact CD-CB 4.23Å; K255-D387 WeakPolarHBondContact CE-OD2 3.39Å; K255-D387 IonicContact NZ-OD2 3.66Å; K255-D387 PolarHBondContact NZ-OD2 3.13Å; Q383-D387 PolarHBondContact NE2-OD1 3.13Å; Q383-D387 WeakPolarHBondContact O-CB 3.33Å; Q383-D387 VanDerWaalsContact O-CG 3.23Å; Q383-D387 PolarHBondContact O-N 2.97Å; Q383-D387 VanDerWaalsContact O-OD1 3.12Å; L385-D387 VanDerWaalsContact C-N 3.31Å; L385-D387 PolarHBondContact O-N 2.99Å
388	I	96.1	Very high	95.5	Very high	19 Å²	19	75.7 Å²	75.7	10%	0.097	38%	0.379	C	S	.	.	H	α-helix	trans	-95	-39.5	-178.2	-62.7	163.1	0	0	0	111.5	K255 I256 L384 L385 Y386 L539	K255-I388 HydrophobicContact CB-CD1 3.81Å; K255-I388 HydrophobicContact CB-CG1 4.41Å; I256-I388 HydrophobicContact CG1-CD1 3.67Å; L384-I388 WeakPolarHBondContact O-CD1 3.25Å; L384-I388 WeakPolarHBondContact O-CG1 3.46Å; L384-I388 PolarHBondContact O-N 2.99Å; L385-I388 PolarHBondContact O-N 3.25Å; Y386-I388 PolarHBondContact O-N 3.48Å; I388-L539 HydrophobicContact CB-CD2 4.25Å; I388-L539 HydrophobicContact CD1-CD2 3.93Å; I388-L539 HydrophobicContact CG2-CB 4.13Å; I388-L539 HydrophobicContact CG2-CD2 4.27Å; I388-L539 WeakPolarHBondContact CG2-O 3.41Å
389	N	97	Very high	95.5	Very high	12 Å²	12	67.6 Å²	67.6	6%	0.064	35%	0.349	C	S	.	.			trans	-131.2	77.4	-177.4	-171.4	13.6	0	0	0	110.4	L385 Y386 D391 F392 L538 N540	L385-N389 PolarHBondContact O-N 2.63Å; Y386-N389 CarbonylContact O-C 3.56Å; N389-D391 PolarHBondContact O-N 2.92Å; N389-F392 HydrophobicContact CB-CB 4.32Å; N389-F392 WeakPolarHBondContact O-CB 3.21Å; N389-F392 PolarHBondContact O-N 3.05Å; N389-L538 PolarHBondContact ND2-O 3.39Å; N389-N540 HydrophobicContact CB-CB 4.25Å
390	P	96.6	Very high	95.5	Very high	88 Å²	88	70.5 Å²	70.5	57%	0.571	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.1	-175.4	-23.6	33.3	0	0	0	114	Y386 F392	Y386-P390 VanDerWaalsContact O-CA 3.28Å; Y386-P390 WeakPolarHBondContact O-CA 3.4Å; Y386-P390 WeakPolarHBondContact O-CG 3.23Å; P390-F392 VanDerWaalsContact C-N 3.34Å
391	D	95.5	Very high	95.9	Very high	136 Å²	136	69.4 Å²	69.4	73%	0.727	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	8.8	-176.1	-60.1	-53.2	0	0	0	113.2	N389 K393	N389-D391 PolarHBondContact O-N 2.92Å; D391-K393 PolarHBondContact O-N 2.76Å
392	F	96.1	Very high	96	Very high	16 Å²	16	69.8 Å²	69.8	7%	0.07	34%	0.339	C	S	.	.			trans	-58.8	129.3	-178.3	-178.4	-105.4	0	0	0	111.6	V373 L377 L385 Y386 N389 P390 W537 L538	V373-F392 HydrophobicContact CG1-CE1 3.76Å; V373-F392 HydrophobicContact CG1-CZ 3.81Å; V373-F392 HydrophobicContact CG2-CZ 4.4Å; L377-F392 HydrophobicContact CD1-CE1 4.3Å; L377-F392 HydrophobicContact CD2-CD1 4.34Å; L377-F392 HydrophobicContact CD2-CE1 4.35Å; L385-F392 HydrophobicContact CD1-CD1 4.46Å; L385-F392 HydrophobicContact CD2-CB 3.76Å; L385-F392 HydrophobicContact CD2-CD1 3.87Å; L385-F392 HydrophobicContact CD2-CG 3.9Å; Y386-F392 HydrophobicContact CE1-CB 4.1Å; N389-F392 HydrophobicContact CB-CB 4.32Å; N389-F392 WeakPolarHBondContact O-CB 3.21Å; N389-F392 PolarHBondContact O-N 3.05Å; P390-F392 VanDerWaalsContact C-N 3.34Å; F392-W537 HydrophobicContact CE2-CZ2 4.26Å; F392-W537 HydrophobicContact CZ-CH2 4.5Å; F392-L538 HydrophobicContact CE1-CD1 4.11Å; F392-L538 HydrophobicContact CE2-CD1 3.77Å; F392-L538 HydrophobicContact CZ-CD1 3.53Å
393	K	94	Very high	96.1	Very high	172 Å²	172	71.1 Å²	71.1	75%	0.748	35%	0.345	S	S	*	.			trans	-120.4	128.6	174.4	-66	176.6	-171.2	172.9	0	109	D391	D391-K393 PolarHBondContact O-N 2.76Å
394	P	95.6	Very high	96.2	Very high	55 Å²	55	65.1 Å²	65.1	36%	0.357	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-56	140.4	171.5	-18.1	27.8	0	0	0	110.2	V373 L377	V373-P394 HydrophobicContact CG1-CB 4.13Å; L377-P394 HydrophobicContact CD1-CB 4.42Å; L377-P394 HydrophobicContact CD1-CG 3.63Å
395	P	94.7	Very high	96.3	Very high	21 Å²	21	66.4 Å²	66.4	14%	0.136	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-64.5	143.8	176.2	30.8	-35.9	0	0	0	109.9	V369 F399 M477 W537	V369-P395 HydrophobicContact CG1-CG 4.21Å; P395-F399 HydrophobicContact CB-CE1 3.77Å; P395-F399 HydrophobicContact CB-CZ 4.08Å; P395-F399 HydrophobicContact CG-CE1 4.24Å; P395-F399 HydrophobicContact CG-CZ 4.19Å; P395-M477 HydrophobicContact CB-CE 4.49Å; P395-W537 HydrophobicContact CG-CH2 4.04Å; P395-W537 HydrophobicContact CG-CZ2 4.27Å
396	K	92.7	Very high	96.4	Very high	186 Å²	186	70.6 Å²	70.6	81%	0.809	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-91.2	140.8	-178.7	-67.7	-178.5	-178.3	176.1	0	110.5	F399	K396-F399 VanDerWaalsContact O-CD1 3.3Å; K396-F399 WeakPolarHBondContact O-CD1 3.45Å
397	R	93.3	Very high	96.4	Very high	134 Å²	134	66.8 Å²	66.8	51%	0.506	33%	0.33	S	S	.	.	S	Bend	trans	-92	147.6	172.2	-59	179.4	67.5	171	7	110.8	E366 D367 C370	E366-R397 HydrophobicContact CG-CG 4.08Å; E366-R397 WeakPolarHBondContact OE1-CB 3.2Å; E366-R397 WeakPolarHBondContact OE1-CG 3.47Å; E366-R397 IonicContact OE1-CZ 2.8Å; E366-R397 IonicContact OE1-NE 3.03Å; E366-R397 PolarHBondContact OE1-NE 3.1Å; E366-R397 IonicContact OE1-NH2 2.85Å; E366-R397 PolarHBondContact OE1-NH2 3.02Å; D367-R397 IonicContact OD1-NH1 2.75Å; C370-R397 HydrophobicContact CB-CG 4.31Å; C370-R397 WeakPolarHBondContact SG-CG 3.3Å
398	P	96.3	Very high	96.5	Very high	101 Å²	101	64.2 Å²	64.2	66%	0.656	32%	0.316	S	S	*	.	S	Bend	cis	-75.5	156.8	-11.6	32.9	-34.8	0	0	0	112.1	E366	E366-P398 WeakPolarHBondContact OE2-CA 3.5Å
399	F	98.1	Very high	96.6	Very high	7 Å²	7	67.9 Å²	67.9	3%	0.031	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-70.2	149.8	172.9	-65.9	-8.3	0	0	0	111.1	E366 V369 C370 P395 K396 R401 T445 L447 M477	E366-F399 HydrophobicContact CB-CD2 4.03Å; E366-F399 HydrophobicContact CB-CE2 4.13Å; E366-F399 HydrophobicContact CB-CG 4.44Å; E366-F399 HydrophobicContact CG-CD1 4Å; E366-F399 HydrophobicContact CG-CD2 3.95Å; E366-F399 HydrophobicContact CG-CE1 4.03Å; E366-F399 HydrophobicContact CG-CE2 4.01Å; E366-F399 HydrophobicContact CG-CG 3.95Å; E366-F399 HydrophobicContact CG-CZ 4.05Å; E366-F399 PolarHBondContact OE2-N 2.85Å; V369-F399 HydrophobicContact CB-CE2 4.27Å; V369-F399 HydrophobicContact CB-CZ 4.22Å; V369-F399 HydrophobicContact CG1-CE2 4.48Å; V369-F399 HydrophobicContact CG1-CZ 4.15Å; C370-F399 VanDerWaalsContact SG-CE1 3.6Å; C370-F399 VanDerWaalsContact SG-CZ 3.53Å; P395-F399 HydrophobicContact CB-CE1 3.77Å; P395-F399 HydrophobicContact CB-CZ 4.08Å; P395-F399 HydrophobicContact CG-CE1 4.24Å; P395-F399 HydrophobicContact CG-CZ 4.19Å; K396-F399 VanDerWaalsContact O-CD1 3.3Å; K396-F399 WeakPolarHBondContact O-CD1 3.45Å; F399-R401 PolarHBondContact O-N 2.73Å; F399-T445 HydrophobicContact CB-CG2 4.39Å; F399-T445 HydrophobicContact CD1-CG2 3.98Å; F399-T445 HydrophobicContact CD2-CG2 3.44Å; F399-T445 VanDerWaalsContact CD2-CG2 3.44Å; F399-T445 HydrophobicContact CE1-CG2 4.1Å; F399-T445 HydrophobicContact CE2-CG2 3.55Å; F399-T445 HydrophobicContact CG-CG2 3.67Å; F399-T445 HydrophobicContact CZ-CG2 3.89Å; F399-L447 HydrophobicContact CB-CD1 4.08Å; F399-L447 HydrophobicContact CB-CG 3.92Å; F399-L447 HydrophobicContact CD2-CD2 4.08Å; F399-L447 HydrophobicContact CD2-CG 4.2Å; F399-M477 HydrophobicContact CZ-CE 4.43Å
400	K	97.9	Very high	96.6	Very high	84 Å²	84	69 Å²	69	37%	0.365	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	119.9	176.1	-179.8	177.9	175.1	66.7	0	108.9	I442 T445 I446 L447	K400-I442 HydrophobicContact CD-CG2 3.96Å; K400-T445 PolarHBondContact N-O 2.8Å; K400-I446 HydrophobicContact CD-CG1 4.47Å; K400-I446 CarbonylContact O-C 3.56Å; K400-I446 VanDerWaalsContact O-CA 3.31Å; K400-I446 WeakPolarHBondContact O-CA 3.23Å; K400-L447 PolarHBondContact O-N 2.92Å
401	R	98.1	Very high	96.7	Very high	106 Å²	106	64.8 Å²	64.8	40%	0.4	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135	168.8	-67.8	174.6	172.1	82	-9.2	109	E359 F399 L447	E359-R401 IonicContact OE2-CZ 2.7Å; E359-R401 IonicContact OE2-NE 2.7Å; E359-R401 PolarHBondContact OE2-NE 3.1Å; E359-R401 IonicContact OE2-NH2 3.07Å; E359-R401 PolarHBondContact OE2-NH2 3.38Å; F399-R401 PolarHBondContact O-N 2.73Å; R401-L447 HydrophobicContact CG-CD1 4.4Å
402	M	98.2	Very high	96.7	Very high	11 Å²	11	65 Å²	65	5%	0.054	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	132.4	175.2	-179	176.9	-75.9	0	0	108.1	E406 A407 M438 I442 I446 L447 L448 C449	M402-E406 WeakPolarHBondContact CA-OE2 3.42Å; M402-E406 HydrophobicContact CG-CB 3.91Å; M402-A407 HydrophobicContact CG-CB 4.48Å; M402-A407 HydrophobicContact SD-CB 3.91Å; M402-M438 HydrophobicContact SD-CE 4.26Å; M402-M438 HydrophobicContact SD-SD 3.89Å; M402-I442 HydrophobicContact CE-CD1 3.62Å; M402-I446 HydrophobicContact CB-CG2 3.69Å; M402-L447 PolarHBondContact N-O 3.33Å; M402-L447 VanDerWaalsContact O-O 3.13Å; M402-L448 HydrophobicContact CB-CD1 4.27Å; M402-L448 HydrophobicContact CG-CD1 4.04Å; M402-L448 CarbonylContact O-C 3.58Å; M402-L448 VanDerWaalsContact O-CA 3.26Å; M402-L448 WeakPolarHBondContact O-CA 3.46Å; M402-L448 HydrophobicContact SD-CD1 4.39Å; M402-C449 PolarHBondContact O-N 3.24Å
403	N	98.4	Very high	96.7	Very high	43 Å²	43	70.9 Å²	70.9	23%	0.23	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	154.7	171.5	-68.8	-38.5	0	0	0	110.6	T405 E406 A407 C449 R450	N403-T405 PolarHBondContact O-N 3Å; N403-E406 HydrophobicContact CB-CG 4.27Å; N403-E406 PolarHBondContact N-OE2 2.95Å; N403-E406 WeakPolarHBondContact O-CB 3.49Å; N403-E406 PolarHBondContact O-N 3.07Å; N403-A407 PolarHBondContact O-N 2.91Å; N403-C449 CarbonylContact C-O 3.54Å; N403-C449 VanDerWaalsContact CA-O 3.32Å; N403-C449 WeakPolarHBondContact CA-O 3.25Å; N403-R450 WeakPolarHBondContact OD1-CD 3.39Å; N403-R450 PolarHBondContact OD1-NH1 3.25Å
404	Y	98.1	Very high	96.9	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-49.2	-42.2	173	165.6	-92	0	0	0	112.4	E406 A407 I408 E425 F426 G427 E428 I430 C449 F451 P452 I455	Y404-E406 VanDerWaalsContact C-N 3.31Å; Y404-E406 PolarHBondContact O-N 2.91Å; Y404-A407 WeakPolarHBondContact O-CB 3.42Å; Y404-A407 PolarHBondContact O-N 3.35Å; Y404-A407 VanDerWaalsContact O-N 3.14Å; Y404-I408 HydrophobicContact CD1-CG1 4.28Å; Y404-I408 HydrophobicContact CD2-CG1 4.46Å; Y404-I408 HydrophobicContact CE1-CD1 4.46Å; Y404-I408 HydrophobicContact CE1-CG1 3.73Å; Y404-I408 HydrophobicContact CE2-CD1 4.01Å; Y404-I408 HydrophobicContact CE2-CG1 3.95Å; Y404-I408 WeakPolarHBondContact O-CG1 3.43Å; Y404-I408 PolarHBondContact O-N 2.54Å; Y404-E425 PolarHBondContact OH-O 3.1Å; Y404-F426 HydrophobicContact CD1-CD2 4.24Å; Y404-F426 HydrophobicContact CD1-CE2 4.31Å; Y404-F426 AromaticContact CE1-CD2 3.74Å; Y404-F426 HydrophobicContact CE1-CD2 3.74Å; Y404-F426 HydrophobicContact CE1-CE2 4.11Å; Y404-F426 HydrophobicContact CE1-CG 4.36Å; Y404-G427 PolarHBondContact OH-N 2.86Å; Y404-E428 WeakPolarHBondContact CE2-O 3.43Å; Y404-E428 PolarHBondContact OH-N 3.12Å; Y404-E428 PolarHBondContact OH-O 3.43Å; Y404-I430 HydrophobicContact CD2-CD1 3.97Å; Y404-I430 HydrophobicContact CE2-CD1 3.97Å; Y404-I430 HydrophobicContact CE2-CG1 4.06Å; Y404-C449 PolarHBondContact N-O 3.11Å; Y404-F451 AromaticContact CD2-CD1 3.7Å; Y404-F451 HydrophobicContact CD2-CD1 3.7Å; Y404-F451 HydrophobicContact CD2-CE1 4.11Å; Y404-F451 HydrophobicContact CE2-CD1 4.5Å; Y404-F451 HydrophobicContact CG-CD1 4.32Å; Y404-P452 VanDerWaalsContact CD1-CD 3.45Å; Y404-P452 HydrophobicContact CD1-CG 3.67Å; Y404-P452 HydrophobicContact CE1-CG 3.35Å; Y404-P452 HydrophobicContact CE2-CG 4.34Å; Y404-P452 HydrophobicContact CG-CG 4.29Å; Y404-I455 HydrophobicContact CE2-CD1 4.33Å
405	T	97.1	Very high	96.9	Very high	50 Å²	50	69.3 Å²	69.3	31%	0.307	32%	0.321	S	S	.	.	H	α-helix	trans	-62.2	-39.4	179.3	53.9	0	0	0	0	112.2	N403 A407 I408 E409 F426	N403-T405 PolarHBondContact O-N 3Å; T405-A407 VanDerWaalsContact C-N 3.34Å; T405-I408 PolarHBondContact O-N 3.28Å; T405-E409 WeakPolarHBondContact O-CG 3.37Å; T405-E409 PolarHBondContact O-N 2.84Å; T405-F426 HydrophobicContact CG2-CD2 4.01Å; T405-F426 HydrophobicContact CG2-CE2 3.89Å
406	E	97.9	Very high	96.9	Very high	89 Å²	89	69.1 Å²	69.1	42%	0.416	32%	0.319	S	S	.	.	H	α-helix	trans	-69.7	-33.5	176.5	-60.5	173.4	145.6	0	0	111	M402 N403 Y404 E409 W410	M402-E406 WeakPolarHBondContact CA-OE2 3.42Å; M402-E406 HydrophobicContact CG-CB 3.91Å; N403-E406 HydrophobicContact CB-CG 4.27Å; N403-E406 PolarHBondContact N-OE2 2.95Å; N403-E406 WeakPolarHBondContact O-CB 3.49Å; N403-E406 PolarHBondContact O-N 3.07Å; Y404-E406 VanDerWaalsContact C-N 3.31Å; Y404-E406 PolarHBondContact O-N 2.91Å; E406-E409 PolarHBondContact O-N 3.32Å; E406-W410 WeakPolarHBondContact O-CB 3.27Å; E406-W410 PolarHBondContact O-N 2.98Å
407	A	97.8	Very high	97	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.9	-42.8	173.8	0	0	0	0	0	112.1	M402 N403 Y404 T405 E409 W410 L411 I430 M438 L448	M402-A407 HydrophobicContact CG-CB 4.48Å; M402-A407 HydrophobicContact SD-CB 3.91Å; N403-A407 PolarHBondContact O-N 2.91Å; Y404-A407 WeakPolarHBondContact O-CB 3.42Å; Y404-A407 PolarHBondContact O-N 3.35Å; Y404-A407 VanDerWaalsContact O-N 3.14Å; T405-A407 VanDerWaalsContact C-N 3.34Å; A407-E409 VanDerWaalsContact C-N 3.32Å; A407-E409 PolarHBondContact O-N 3.23Å; A407-W410 WeakPolarHBondContact O-CB 3.24Å; A407-W410 PolarHBondContact O-N 2.84Å; A407-L411 VanDerWaalsContact O-CG 3.29Å; A407-L411 WeakPolarHBondContact O-CG 3.39Å; A407-L411 PolarHBondContact O-N 2.79Å; A407-I430 HydrophobicContact CB-CD1 3.93Å; A407-M438 HydrophobicContact CB-CE 4.08Å; A407-M438 HydrophobicContact CB-SD 3.76Å; A407-L448 HydrophobicContact CB-CD1 3.71Å
408	I	97.6	Very high	97	Very high	19 Å²	19	60 Å²	60	10%	0.097	28%	0.283	C	S	.	.	H	α-helix	trans	-60.1	-43.5	173.7	-67	-65.1	0	0	0	111	Y404 T405 L411 R412 I430	Y404-I408 HydrophobicContact CD1-CG1 4.28Å; Y404-I408 HydrophobicContact CD2-CG1 4.46Å; Y404-I408 HydrophobicContact CE1-CD1 4.46Å; Y404-I408 HydrophobicContact CE1-CG1 3.73Å; Y404-I408 HydrophobicContact CE2-CD1 4.01Å; Y404-I408 HydrophobicContact CE2-CG1 3.95Å; Y404-I408 WeakPolarHBondContact O-CG1 3.43Å; Y404-I408 PolarHBondContact O-N 2.54Å; T405-I408 PolarHBondContact O-N 3.28Å; I408-L411 PolarHBondContact O-N 2.88Å; I408-R412 PolarHBondContact O-N 2.87Å; I408-R412 VanDerWaalsContact O-N 3.09Å; I408-I430 HydrophobicContact CD1-CD1 3.99Å; I408-I430 HydrophobicContact CD1-CG1 3.98Å; I408-I430 HydrophobicContact CG1-CD1 4.45Å
409	E	97.6	Very high	96.6	Very high	96 Å²	96	64 Å²	64	45%	0.449	30%	0.299	S	S	.	.	H	α-helix	trans	-61.9	-44.7	174.8	-72.8	176.4	165.7	0	0	111.8	T405 E406 A407 L411 R412 E413	T405-E409 WeakPolarHBondContact O-CG 3.37Å; T405-E409 PolarHBondContact O-N 2.84Å; E406-E409 PolarHBondContact O-N 3.32Å; A407-E409 VanDerWaalsContact C-N 3.32Å; A407-E409 PolarHBondContact O-N 3.23Å; E409-L411 PolarHBondContact O-N 2.84Å; E409-R412 PolarHBondContact O-N 3.39Å; E409-E413 WeakPolarHBondContact O-CG 3.39Å; E409-E413 PolarHBondContact O-N 2.9Å
410	W	97.9	Very high	96.4	Very high	34 Å²	34	69.1 Å²	69.1	13%	0.129	33%	0.327	C	S	.	.	H	α-helix	trans	-58.7	-47.3	177	-171.9	96.5	0	0	0	111.7	E406 A407 R412 E413 H414 V416 M438 I442	E406-W410 WeakPolarHBondContact O-CB 3.27Å; E406-W410 PolarHBondContact O-N 2.98Å; A407-W410 WeakPolarHBondContact O-CB 3.24Å; A407-W410 PolarHBondContact O-N 2.84Å; W410-R412 VanDerWaalsContact C-N 3.3Å; W410-R412 PolarHBondContact O-N 3Å; W410-E413 PolarHBondContact O-N 3.43Å; W410-H414 AromaticContact CD1-CE1 3.58Å; W410-H414 AromaticContact CD1-ND1 3.85Å; W410-H414 AromaticContact CD2-CE1 3.92Å; W410-H414 AromaticContact CD2-ND1 3.53Å; W410-H414 AromaticContact CE2-CD2 3.94Å; W410-H414 AromaticContact CE2-CE1 3.38Å; W410-H414 AromaticContact CE2-CG 3.76Å; W410-H414 AromaticContact CE2-ND1 3.38Å; W410-H414 AromaticContact CE2-NE2 3.71Å; W410-H414 HydrophobicContact CE3-CB 4.34Å; W410-H414 AromaticContact CG-ND1 3.82Å; W410-H414 HydrophobicContact CH2-CB 3.97Å; W410-H414 AromaticContact CH2-CD2 3.98Å; W410-H414 AromaticContact CH2-CG 3.78Å; W410-H414 HydrophobicContact CZ2-CB 4.33Å; W410-H414 AromaticContact CZ2-CD2 3.56Å; W410-H414 AromaticContact CZ2-CE1 3.82Å; W410-H414 AromaticContact CZ2-CG 3.62Å; W410-H414 AromaticContact CZ2-ND1 3.77Å; W410-H414 AromaticContact CZ2-NE2 3.69Å; W410-H414 HydrophobicContact CZ3-CB 3.99Å; W410-H414 AromaticContact NE1-CE1 3.18Å; W410-H414 PolarHBondContact NE1-CE1 3.29Å; W410-H414 AromaticContact NE1-ND1 3.61Å; W410-H414 AromaticContact NE1-NE2 3.67Å; W410-H414 PolarHBondContact O-N 3.3Å; W410-H414 PolarHBondContact O-ND1 2.86Å; W410-V416 HydrophobicContact CZ3-CG2 4.06Å; W410-M438 HydrophobicContact CD2-CB 4.37Å; W410-M438 HydrophobicContact CD2-CG 3.73Å; W410-M438 HydrophobicContact CD2-SD 4.35Å; W410-M438 HydrophobicContact CE3-CB 3.68Å; W410-M438 HydrophobicContact CE3-CG 3.51Å; W410-M438 HydrophobicContact CE3-SD 4.16Å; W410-M438 HydrophobicContact CG-CG 4.36Å; W410-M438 HydrophobicContact CH2-CB 4.13Å; W410-M438 HydrophobicContact CH2-CG 4.36Å; W410-M438 HydrophobicContact CZ2-CG 4.5Å; W410-M438 VanDerWaalsContact CZ3-CA 3.47Å; W410-M438 HydrophobicContact CZ3-CB 3.55Å; W410-M438 HydrophobicContact CZ3-CG 3.86Å; W410-I442 HydrophobicContact CZ2-CG1 4.42Å
411	L	97.3	Very high	96.1	Very high	1 Å²	1	67.1 Å²	67.1	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-59.8	-41.7	178.6	-69.6	172.3	0	0	0	111.3	A407 I408 E409 D415 V416 Y424 I430 P434 M438	A407-L411 VanDerWaalsContact O-CG 3.29Å; A407-L411 WeakPolarHBondContact O-CG 3.39Å; A407-L411 PolarHBondContact O-N 2.79Å; I408-L411 PolarHBondContact O-N 2.88Å; E409-L411 PolarHBondContact O-N 2.84Å; L411-D415 PolarHBondContact O-N 2.93Å; L411-V416 HydrophobicContact CB-CB 4.27Å; L411-V416 HydrophobicContact CD2-CB 3.77Å; L411-V416 HydrophobicContact CD2-CG1 3.75Å; L411-V416 HydrophobicContact CD2-CG2 4.16Å; L411-V416 PolarHBondContact O-N 3.3Å; L411-Y424 HydrophobicContact CD1-CD2 4.07Å; L411-Y424 HydrophobicContact CD1-CG 4.29Å; L411-I430 HydrophobicContact CD1-CD1 4.15Å; L411-I430 HydrophobicContact CD1-CG1 4.21Å; L411-I430 HydrophobicContact CD1-CG2 3.95Å; L411-P434 HydrophobicContact CD1-CB 4.47Å; L411-P434 HydrophobicContact CD2-CB 3.85Å; L411-M438 HydrophobicContact CD2-CB 4.41Å
412	R	96	Very high	95.9	Very high	139 Å²	139	65.1 Å²	65.1	53%	0.525	33%	0.329	S	S	.	.	H	α-helix	trans	-65.9	-44.6	176.5	-174.4	-176.8	64.6	-172.5	-5.2	112.1	I408 E409 W410 H414 D415	I408-R412 PolarHBondContact O-N 2.87Å; I408-R412 VanDerWaalsContact O-N 3.09Å; E409-R412 PolarHBondContact O-N 3.39Å; W410-R412 VanDerWaalsContact C-N 3.3Å; W410-R412 PolarHBondContact O-N 3Å; R412-H414 VanDerWaalsContact C-N 3.28Å; R412-H414 PolarHBondContact O-N 3.27Å; R412-D415 PolarHBondContact O-N 3.34Å
413	E	97.1	Very high	95.8	Very high	141 Å²	141	67.8 Å²	67.8	66%	0.659	34%	0.342	S	S	*	.	H	α-helix	trans	-65.3	-30.3	-180	-74.4	179.6	175.3	0	0	113.2	E409 W410	E409-E413 WeakPolarHBondContact O-CG 3.39Å; E409-E413 PolarHBondContact O-N 2.9Å; W410-E413 PolarHBondContact O-N 3.43Å
414	H	96.4	Very high	95.6	Very high	101 Å²	101	67.1 Å²	67.1	47%	0.468	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	12.4	179.6	-65.2	73.8	0	0	0	113.3	W410 R412 V416	W410-H414 AromaticContact CD1-CE1 3.58Å; W410-H414 AromaticContact CD1-ND1 3.85Å; W410-H414 AromaticContact CD2-CE1 3.92Å; W410-H414 AromaticContact CD2-ND1 3.53Å; W410-H414 AromaticContact CE2-CD2 3.94Å; W410-H414 AromaticContact CE2-CE1 3.38Å; W410-H414 AromaticContact CE2-CG 3.76Å; W410-H414 AromaticContact CE2-ND1 3.38Å; W410-H414 AromaticContact CE2-NE2 3.71Å; W410-H414 HydrophobicContact CE3-CB 4.34Å; W410-H414 AromaticContact CG-ND1 3.82Å; W410-H414 HydrophobicContact CH2-CB 3.97Å; W410-H414 AromaticContact CH2-CD2 3.98Å; W410-H414 AromaticContact CH2-CG 3.78Å; W410-H414 HydrophobicContact CZ2-CB 4.33Å; W410-H414 AromaticContact CZ2-CD2 3.56Å; W410-H414 AromaticContact CZ2-CE1 3.82Å; W410-H414 AromaticContact CZ2-CG 3.62Å; W410-H414 AromaticContact CZ2-ND1 3.77Å; W410-H414 AromaticContact CZ2-NE2 3.69Å; W410-H414 HydrophobicContact CZ3-CB 3.99Å; W410-H414 AromaticContact NE1-CE1 3.18Å; W410-H414 PolarHBondContact NE1-CE1 3.29Å; W410-H414 AromaticContact NE1-ND1 3.61Å; W410-H414 AromaticContact NE1-NE2 3.67Å; W410-H414 PolarHBondContact O-N 3.3Å; W410-H414 PolarHBondContact O-ND1 2.86Å; R412-H414 VanDerWaalsContact C-N 3.28Å; R412-H414 PolarHBondContact O-N 3.27Å; H414-V416 HydrophobicContact CB-CG2 4.17Å; H414-V416 PolarHBondContact O-N 2.66Å
415	D	96.3	Very high	95.5	Very high	93 Å²	93	73.5 Å²	73.5	50%	0.497	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	33.4	-178.8	-154.1	43.6	0	0	0	114.4	L411 R412 K417 H423	L411-D415 PolarHBondContact O-N 2.93Å; R412-D415 PolarHBondContact O-N 3.34Å; D415-K417 PolarHBondContact O-N 2.93Å; D415-K417 WeakPolarHBondContact OD1-CE 3.43Å; D415-K417 IonicContact OD1-NZ 2.97Å; D415-K417 PolarHBondContact OD1-NZ 2.78Å; D415-K417 IonicContact OD2-NZ 3.05Å; D415-K417 PolarHBondContact OD2-NZ 3.5Å; D415-H423 IonicContact OD1-CE1 2.9Å; D415-H423 PolarHBondContact OD1-CE1 3.04Å; D415-H423 IonicContact OD1-NE2 2.99Å
416	V	95.8	Very high	95.4	Very high	17 Å²	17	75.4 Å²	75.4	10%	0.103	37%	0.37	C	S	.	.			trans	-81.2	111.8	174.7	-174.2	0	0	0	0	109	W410 L411 H414 P434 L437	W410-V416 HydrophobicContact CZ3-CG2 4.06Å; L411-V416 HydrophobicContact CB-CB 4.27Å; L411-V416 HydrophobicContact CD2-CB 3.77Å; L411-V416 HydrophobicContact CD2-CG1 3.75Å; L411-V416 HydrophobicContact CD2-CG2 4.16Å; L411-V416 PolarHBondContact O-N 3.3Å; H414-V416 HydrophobicContact CB-CG2 4.17Å; H414-V416 PolarHBondContact O-N 2.66Å; V416-P434 HydrophobicContact CG1-CB 3.79Å; V416-L437 HydrophobicContact CG1-CD2 4.01Å; V416-L437 HydrophobicContact CG2-CD2 3.69Å
417	K	93.8	Very high	95.1	Very high	84 Å²	84	72.4 Å²	72.4	37%	0.365	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-112.1	164.3	-172.7	-74.2	163.6	169.7	150.7	0	112.3	D415 G421 T422	D415-K417 PolarHBondContact O-N 2.93Å; D415-K417 WeakPolarHBondContact OD1-CE 3.43Å; D415-K417 IonicContact OD1-NZ 2.97Å; D415-K417 PolarHBondContact OD1-NZ 2.78Å; D415-K417 IonicContact OD2-NZ 3.05Å; D415-K417 PolarHBondContact OD2-NZ 3.5Å; K417-G421 WeakPolarHBondContact CD-O 3.04Å; K417-T422 WeakPolarHBondContact CA-O 3.27Å; K417-T422 WeakPolarHBondContact CB-O 3.41Å
418	K	93.5	Very high	94.9	Very high	44 Å²	44	75.6 Å²	75.6	19%	0.191	38%	0.379	C	S	.	.			trans	-71.9	169.7	166.1	-61.7	177.5	-157.6	159.9	0	110.4	D420 G421 T422 H423 Y424 E428	K418-D420 WeakPolarHBondContact CB-OD1 3.29Å; K418-D420 PolarHBondContact O-N 3.07Å; K418-G421 PolarHBondContact O-N 2.65Å; K418-T422 WeakPolarHBondContact CD-OG1 3.39Å; K418-T422 PolarHBondContact N-O 3.3Å; K418-H423 VanDerWaalsContact CE-O 3.24Å; K418-H423 WeakPolarHBondContact CE-O 3.32Å; K418-H423 PolarHBondContact NZ-O 2.78Å; K418-Y424 HydrophobicContact CD-CD1 4.46Å; K418-Y424 HydrophobicContact CD-CE1 4.35Å; K418-Y424 HydrophobicContact CG-CD1 4Å; K418-Y424 HydrophobicContact CG-CD2 4.35Å; K418-Y424 HydrophobicContact CG-CE1 3.61Å; K418-Y424 HydrophobicContact CG-CE2 3.98Å; K418-Y424 HydrophobicContact CG-CG 4.35Å; K418-E428 WeakPolarHBondContact CE-OE2 3.4Å; K418-E428 IonicContact NZ-OE1 3.56Å; K418-E428 PolarHBondContact NZ-OE1 3.17Å; K418-E428 IonicContact NZ-OE2 3.28Å; K418-E428 PolarHBondContact NZ-OE2 2.96Å
419	D	88.9	Confident	94.7	Very high	184 Å²	184	79.3 Å²	79.3	98%	0.984	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.3	177.6	-67.2	-21.5	0	0	0	113.2	G421	D419-G421 VanDerWaalsContact C-N 3.31Å
420	D	91.9	Very high	94.5	Very high	115 Å²	115	75.1 Å²	75.1	62%	0.615	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-0	176.3	68.9	6	0	0	0	114	K418 T422	K418-D420 WeakPolarHBondContact CB-OD1 3.29Å; K418-D420 PolarHBondContact O-N 3.07Å; D420-T422 VanDerWaalsContact C-N 3.35Å; D420-T422 WeakPolarHBondContact OD1-CB 3.14Å; D420-T422 WeakPolarHBondContact OD1-CG2 3.24Å; D420-T422 PolarHBondContact OD1-N 3.17Å; D420-T422 PolarHBondContact OD1-OG1 2.91Å; D420-T422 PolarHBondContact OD2-OG1 3.14Å
421	G	92.2	Very high	94.2	Very high	42 Å²	42	76.2 Å²	76.2	43%	0.433	39%	0.39	S	S	.	.	S	Bend	trans	83.6	1.4	179.8	0	0	0	0	0	115.3	K417 K418 D419	K417-G421 WeakPolarHBondContact CD-O 3.04Å; K418-G421 PolarHBondContact O-N 2.65Å; D419-G421 VanDerWaalsContact C-N 3.31Å
422	T	94.6	Very high	93.8	Very high	64 Å²	64	78 Å²	78	39%	0.393	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-83.8	160.2	175	67.3	0	0	0	0	112	K417 K418 D420	K417-T422 WeakPolarHBondContact CA-O 3.27Å; K417-T422 WeakPolarHBondContact CB-O 3.41Å; K418-T422 WeakPolarHBondContact CD-OG1 3.39Å; K418-T422 PolarHBondContact N-O 3.3Å; D420-T422 VanDerWaalsContact C-N 3.35Å; D420-T422 WeakPolarHBondContact OD1-CB 3.14Å; D420-T422 WeakPolarHBondContact OD1-CG2 3.24Å; D420-T422 PolarHBondContact OD1-N 3.17Å; D420-T422 PolarHBondContact OD1-OG1 2.91Å; D420-T422 PolarHBondContact OD2-OG1 3.14Å
423	H	95.4	Very high	93.5	Very high	67 Å²	67	74.7 Å²	74.7	31%	0.31	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-81.1	155.9	174.2	-69	-75.5	0	0	0	111.1	D415 K418	D415-H423 IonicContact OD1-CE1 2.9Å; D415-H423 PolarHBondContact OD1-CE1 3.04Å; D415-H423 IonicContact OD1-NE2 2.99Å; K418-H423 VanDerWaalsContact CE-O 3.24Å; K418-H423 WeakPolarHBondContact CE-O 3.32Å; K418-H423 PolarHBondContact NZ-O 2.78Å
424	Y	95	Very high	93.4	Very high	29 Å²	29	68.3 Å²	68.3	11%	0.114	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-69.8	135.3	167.6	-64.9	-86.8	0	0	0	109.9	L411 K418 E428 P431 P434	L411-Y424 HydrophobicContact CD1-CD2 4.07Å; L411-Y424 HydrophobicContact CD1-CG 4.29Å; K418-Y424 HydrophobicContact CD-CD1 4.46Å; K418-Y424 HydrophobicContact CD-CE1 4.35Å; K418-Y424 HydrophobicContact CG-CD1 4Å; K418-Y424 HydrophobicContact CG-CD2 4.35Å; K418-Y424 HydrophobicContact CG-CE1 3.61Å; K418-Y424 HydrophobicContact CG-CE2 3.98Å; K418-Y424 HydrophobicContact CG-CG 4.35Å; Y424-E428 WeakPolarHBondContact CA-OE2 3.1Å; Y424-P431 HydrophobicContact CE1-CG 4.26Å; Y424-P434 HydrophobicContact CE1-CG 4.41Å; Y424-P434 HydrophobicContact CE2-CB 4.09Å; Y424-P434 HydrophobicContact CE2-CG 4.13Å
425	E	95.2	Very high	93.3	Very high	134 Å²	134	64.2 Å²	64.2	63%	0.626	35%	0.353	S	S	*	.			trans	-114	159.5	-178.6	-62.6	-170.3	165.7	0	0	111.2	Y404 G427 E428	Y404-E425 PolarHBondContact OH-O 3.1Å; E425-G427 PolarHBondContact O-N 2.99Å; E425-E428 PolarHBondContact N-OE2 3.4Å; E425-E428 WeakPolarHBondContact O-CB 3.49Å; E425-E428 PolarHBondContact O-N 3.07Å
426	F	95.5	Very high	93.1	Very high	90 Å²	90	62.5 Å²	62.5	40%	0.395	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	131.9	176.3	177.4	-83.8	0	0	0	110.9	Y404 T405 P452 L469	Y404-F426 HydrophobicContact CD1-CD2 4.24Å; Y404-F426 HydrophobicContact CD1-CE2 4.31Å; Y404-F426 AromaticContact CE1-CD2 3.74Å; Y404-F426 HydrophobicContact CE1-CD2 3.74Å; Y404-F426 HydrophobicContact CE1-CE2 4.11Å; Y404-F426 HydrophobicContact CE1-CG 4.36Å; T405-F426 HydrophobicContact CG2-CD2 4.01Å; T405-F426 HydrophobicContact CG2-CE2 3.89Å; F426-P452 HydrophobicContact CE1-CG 4.47Å; F426-P452 HydrophobicContact CE2-CG 4.13Å; F426-P452 HydrophobicContact CZ-CB 4.35Å; F426-P452 HydrophobicContact CZ-CG 4.05Å; F426-L469 HydrophobicContact CE2-CD2 3.98Å; F426-L469 HydrophobicContact CZ-CD2 4.01Å
427	G	92.3	Very high	93.1	Very high	27 Å²	27	65.7 Å²	65.7	28%	0.278	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	96	-4.6	-178.3	0	0	0	0	0	113.4	Y404 E425 I455	Y404-G427 PolarHBondContact OH-N 2.86Å; E425-G427 PolarHBondContact O-N 2.99Å; G427-I455 WeakPolarHBondContact O-CG2 3.49Å
428	E	93.1	Very high	93.2	Very high	67 Å²	67	61.7 Å²	61.7	31%	0.313	34%	0.338	S	S	.	.	S	Bend	trans	-93.3	148.1	171.3	-59.6	-176.9	132.5	0	0	111.3	Y404 K418 Y424 E425	Y404-E428 WeakPolarHBondContact CE2-O 3.43Å; Y404-E428 PolarHBondContact OH-N 3.12Å; Y404-E428 PolarHBondContact OH-O 3.43Å; K418-E428 WeakPolarHBondContact CE-OE2 3.4Å; K418-E428 IonicContact NZ-OE1 3.56Å; K418-E428 PolarHBondContact NZ-OE1 3.17Å; K418-E428 IonicContact NZ-OE2 3.28Å; K418-E428 PolarHBondContact NZ-OE2 2.96Å; Y424-E428 WeakPolarHBondContact CA-OE2 3.1Å; E425-E428 PolarHBondContact N-OE2 3.4Å; E425-E428 WeakPolarHBondContact O-CB 3.49Å; E425-E428 PolarHBondContact O-N 3.07Å
429	D	92.8	Very high	93.4	Very high	96 Å²	96	59.6 Å²	59.6	51%	0.513	33%	0.329	S	S	.	.			trans	-66.9	151.8	170.4	-172	37.1	0	0	0	111.1	P431	D429-P431 WeakPolarHBondContact O-CD 3.47Å
430	I	93.8	Very high	93.6	Very high	9 Å²	9	53 Å²	53	5%	0.046	29%	0.294	C	S	.	.			trans	-103.6	102.9	174.1	-59.3	172.6	0	0	0	107.5	Y404 A407 I408 L411 P434 E435	Y404-I430 HydrophobicContact CD2-CD1 3.97Å; Y404-I430 HydrophobicContact CE2-CD1 3.97Å; Y404-I430 HydrophobicContact CE2-CG1 4.06Å; A407-I430 HydrophobicContact CB-CD1 3.93Å; I408-I430 HydrophobicContact CD1-CD1 3.99Å; I408-I430 HydrophobicContact CD1-CG1 3.98Å; I408-I430 HydrophobicContact CG1-CD1 4.45Å; L411-I430 HydrophobicContact CD1-CD1 4.15Å; L411-I430 HydrophobicContact CD1-CG1 4.21Å; L411-I430 HydrophobicContact CD1-CG2 3.95Å; I430-P434 HydrophobicContact CG2-CB 4.29Å; I430-P434 HydrophobicContact CG2-CG 4.03Å; I430-E435 HydrophobicContact CG2-CB 4.16Å
431	P	91.6	Very high	93.8	Very high	56 Å²	56	50.9 Å²	50.9	36%	0.364	29%	0.288	S	S	.	.			trans	-66	171.1	-175.7	-22.4	33.6	0	0	0	113.9	Y424 D429 A433 P434 E435	Y424-P431 HydrophobicContact CE1-CG 4.26Å; D429-P431 WeakPolarHBondContact O-CD 3.47Å; P431-A433 VanDerWaalsContact C-N 3.33Å; P431-A433 PolarHBondContact O-N 2.93Å; P431-P434 HydrophobicContact CB-CG 4.3Å; P431-P434 HydrophobicContact CG-CG 4.45Å; P431-P434 WeakPolarHBondContact O-CD 3.48Å; P431-P434 VanDerWaalsContact O-CG 3.24Å; P431-P434 WeakPolarHBondContact O-CG 3.35Å; P431-E435 VanDerWaalsContact O-CB 3.29Å; P431-E435 WeakPolarHBondContact O-CB 3.29Å; P431-E435 PolarHBondContact O-N 2.88Å; P431-E435 VanDerWaalsContact O-N 3.07Å
432	E	88.7	Confident	94	Very high	39 Å²	39	50.5 Å²	50.5	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-45.6	-50.9	179	169.6	163.9	168.5	0	0	114.3	R340 R341 R436	R340-E432 IonicContact CZ-OE1 2.8Å; R340-E432 IonicContact NE-OE1 3.94Å; R340-E432 PolarHBondContact NE-OE1 2.94Å; R340-E432 IonicContact NH2-OE1 3.31Å; R340-E432 PolarHBondContact NH2-OE1 3.24Å; R341-E432 VanDerWaalsContact CZ-CD 3.41Å; R341-E432 IonicContact CZ-OE1 3.66Å; R341-E432 IonicContact CZ-OE2 2.84Å; R341-E432 IonicContact NE-OE1 3.91Å; R341-E432 PolarHBondContact NE-OE1 2.83Å; R341-E432 IonicContact NE-OE2 3.04Å; R341-E432 PolarHBondContact NE-OE2 3.18Å; R341-E432 IonicContact NH2-OE2 2.79Å; R341-E432 PolarHBondContact NH2-OE2 2.97Å; E432-R436 VanDerWaalsContact O-CB 3.24Å; E432-R436 WeakPolarHBondContact O-CB 3.22Å; E432-R436 PolarHBondContact O-N 3.44Å
433	A	90.6	Very high	94	Very high	70 Å²	70	52.9 Å²	52.9	58%	0.579	29%	0.286	S	S	*	.	H	α-helix	trans	-64.7	-53.7	-170.7	0	0	0	0	0	112.6	P431 R436 L437	P431-A433 VanDerWaalsContact C-N 3.33Å; P431-A433 PolarHBondContact O-N 2.93Å; A433-R436 PolarHBondContact O-N 3.27Å; A433-L437 WeakPolarHBondContact O-CB 3.35Å; A433-L437 PolarHBondContact O-N 3.02Å
434	P	93.7	Very high	93.9	Very high	7 Å²	7	55 Å²	55	5%	0.045	30%	0.296	C	S	.	.	H	α-helix	trans	-66.1	-38.3	175.4	25.4	-35.2	0	0	0	113	L411 V416 Y424 I430 P431 R436 L437 M438	L411-P434 HydrophobicContact CD1-CB 4.47Å; L411-P434 HydrophobicContact CD2-CB 3.85Å; V416-P434 HydrophobicContact CG1-CB 3.79Å; Y424-P434 HydrophobicContact CE1-CG 4.41Å; Y424-P434 HydrophobicContact CE2-CB 4.09Å; Y424-P434 HydrophobicContact CE2-CG 4.13Å; I430-P434 HydrophobicContact CG2-CB 4.29Å; I430-P434 HydrophobicContact CG2-CG 4.03Å; P431-P434 HydrophobicContact CB-CG 4.3Å; P431-P434 HydrophobicContact CG-CG 4.45Å; P431-P434 WeakPolarHBondContact O-CD 3.48Å; P431-P434 VanDerWaalsContact O-CG 3.24Å; P431-P434 WeakPolarHBondContact O-CG 3.35Å; P434-R436 VanDerWaalsContact C-N 3.33Å; P434-R436 PolarHBondContact O-N 2.92Å; P434-L437 PolarHBondContact O-N 3.46Å; P434-M438 WeakPolarHBondContact O-CB 3.39Å; P434-M438 PolarHBondContact O-N 3.48Å
435	E	94.8	Very high	94	Very high	14 Å²	14	54.3 Å²	54.3	7%	0.065	30%	0.295	C	S	.	.	H	α-helix	trans	-54.5	-50.7	174.6	173.6	-166.4	89.7	0	0	110.9	R341 I430 P431 M438 T439 L476 G481 E482	R341-E435 IonicContact CZ-OE1 3.38Å; R341-E435 IonicContact NH1-OE1 2.7Å; R341-E435 PolarHBondContact NH1-OE1 3.38Å; R341-E435 IonicContact NH2-OE1 3.26Å; I430-E435 HydrophobicContact CG2-CB 4.16Å; P431-E435 VanDerWaalsContact O-CB 3.29Å; P431-E435 WeakPolarHBondContact O-CB 3.29Å; P431-E435 PolarHBondContact O-N 2.88Å; P431-E435 VanDerWaalsContact O-N 3.07Å; E435-M438 PolarHBondContact O-N 2.91Å; E435-T439 WeakPolarHBondContact O-CB 3.21Å; E435-T439 PolarHBondContact O-N 2.86Å; E435-T439 PolarHBondContact O-OG1 2.91Å; E435-L476 HydrophobicContact CG-CD1 3.88Å; E435-L476 HydrophobicContact CG-CD2 3.87Å; E435-L476 HydrophobicContact CG-CG 4.47Å; E435-L476 WeakPolarHBondContact OE2-CD2 3.33Å; E435-G481 WeakPolarHBondContact OE1-CA 3.07Å; E435-E482 PolarHBondContact OE1-N 2.83Å
436	R	92.6	Very high	94.1	Very high	57 Å²	57	48 Å²	48	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-69.6	-40.6	-178.7	-174.5	179.4	178.2	-91.1	-1	111.7	R340 E432 A433 P434 M438 T439 D440 N479	R340-R436 VanDerWaalsContact NH2-NE 3.13Å; E432-R436 VanDerWaalsContact O-CB 3.24Å; E432-R436 WeakPolarHBondContact O-CB 3.22Å; E432-R436 PolarHBondContact O-N 3.44Å; A433-R436 PolarHBondContact O-N 3.27Å; P434-R436 VanDerWaalsContact C-N 3.33Å; P434-R436 PolarHBondContact O-N 2.92Å; R436-M438 VanDerWaalsContact C-N 3.29Å; R436-M438 PolarHBondContact O-N 3.32Å; R436-T439 PolarHBondContact O-N 3.45Å; R436-D440 WeakPolarHBondContact CG-OD2 3.5Å; R436-D440 IonicContact CZ-OD2 3.36Å; R436-D440 IonicContact NE-OD2 3.53Å; R436-D440 IonicContact NH1-OD2 2.73Å; R436-D440 PolarHBondContact NH1-OD2 3.01Å; R436-D440 IonicContact NH2-OD2 3.62Å; R436-D440 VanDerWaalsContact O-CB 3.25Å; R436-D440 WeakPolarHBondContact O-CB 3.36Å; R436-D440 PolarHBondContact O-N 3.43Å; R436-N479 PolarHBondContact NE-O 3.44Å; R436-N479 PolarHBondContact NH2-O 2.89Å
437	L	94.9	Very high	94.3	Very high	84 Å²	84	43.7 Å²	43.7	44%	0.44	25%	0.247	S	C	.	.	H	α-helix	trans	-58.4	-44	176	178.4	61.6	0	0	0	111.2	V416 A433 P434 S441	V416-L437 HydrophobicContact CG1-CD2 4.01Å; V416-L437 HydrophobicContact CG2-CD2 3.69Å; A433-L437 WeakPolarHBondContact O-CB 3.35Å; A433-L437 PolarHBondContact O-N 3.02Å; P434-L437 PolarHBondContact O-N 3.46Å; L437-S441 VanDerWaalsContact O-CB 3.24Å; L437-S441 WeakPolarHBondContact O-CB 3.41Å; L437-S441 PolarHBondContact O-N 3.25Å; L437-S441 PolarHBondContact O-OG 3.23Å
438	M	97.3	Very high	94.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-51	174.7	175.9	-177.8	73.3	0	0	111.3	M402 A407 W410 L411 P434 E435 R436 D440 S441 I442 L448 L476	M402-M438 HydrophobicContact SD-CE 4.26Å; M402-M438 HydrophobicContact SD-SD 3.89Å; A407-M438 HydrophobicContact CB-CE 4.08Å; A407-M438 HydrophobicContact CB-SD 3.76Å; W410-M438 HydrophobicContact CD2-CB 4.37Å; W410-M438 HydrophobicContact CD2-CG 3.73Å; W410-M438 HydrophobicContact CD2-SD 4.35Å; W410-M438 HydrophobicContact CE3-CB 3.68Å; W410-M438 HydrophobicContact CE3-CG 3.51Å; W410-M438 HydrophobicContact CE3-SD 4.16Å; W410-M438 HydrophobicContact CG-CG 4.36Å; W410-M438 HydrophobicContact CH2-CB 4.13Å; W410-M438 HydrophobicContact CH2-CG 4.36Å; W410-M438 HydrophobicContact CZ2-CG 4.5Å; W410-M438 VanDerWaalsContact CZ3-CA 3.47Å; W410-M438 HydrophobicContact CZ3-CB 3.55Å; W410-M438 HydrophobicContact CZ3-CG 3.86Å; L411-M438 HydrophobicContact CD2-CB 4.41Å; P434-M438 WeakPolarHBondContact O-CB 3.39Å; P434-M438 PolarHBondContact O-N 3.48Å; E435-M438 PolarHBondContact O-N 2.91Å; R436-M438 VanDerWaalsContact C-N 3.29Å; R436-M438 PolarHBondContact O-N 3.32Å; M438-D440 PolarHBondContact O-N 3.39Å; M438-S441 PolarHBondContact O-N 2.86Å; M438-I442 HydrophobicContact CG-CD1 3.72Å; M438-I442 WeakPolarHBondContact O-CG1 3.39Å; M438-I442 PolarHBondContact O-N 3.23Å; M438-L448 HydrophobicContact CE-CD2 4.43Å; M438-L476 HydrophobicContact CE-CD1 3.9Å
439	T	95.9	Very high	94.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.1	-42	-177.7	-50.9	0	0	0	0	111.9	E435 R436 N443 I446 L476 M477 P478	E435-T439 WeakPolarHBondContact O-CB 3.21Å; E435-T439 PolarHBondContact O-N 2.86Å; E435-T439 PolarHBondContact O-OG1 2.91Å; R436-T439 PolarHBondContact O-N 3.45Å; T439-N443 WeakPolarHBondContact O-CA 3.34Å; T439-N443 PolarHBondContact O-N 3.46Å; T439-I446 HydrophobicContact CG2-CD1 4.41Å; T439-L476 HydrophobicContact CG2-CB 3.93Å; T439-M477 VanDerWaalsContact CG2-C 3.46Å; T439-P478 HydrophobicContact CG2-CG 4.31Å
440	D	94.6	Very high	95.1	Very high	45 Å²	45	37.3 Å²	37.3	24%	0.241	21%	0.205	C	C	.	.	H	α-helix	trans	-68	-35.9	177.6	-70.4	-9.3	0	0	0	111.6	R436 M438 N479	R436-D440 WeakPolarHBondContact CG-OD2 3.5Å; R436-D440 IonicContact CZ-OD2 3.36Å; R436-D440 IonicContact NE-OD2 3.53Å; R436-D440 IonicContact NH1-OD2 2.73Å; R436-D440 PolarHBondContact NH1-OD2 3.01Å; R436-D440 IonicContact NH2-OD2 3.62Å; R436-D440 VanDerWaalsContact O-CB 3.25Å; R436-D440 WeakPolarHBondContact O-CB 3.36Å; R436-D440 PolarHBondContact O-N 3.43Å; M438-D440 PolarHBondContact O-N 3.39Å; D440-N479 WeakPolarHBondContact OD1-CA 3.34Å; D440-N479 PolarHBondContact OD1-N 2.79Å
441	S	96.3	Very high	95.3	Very high	71 Å²	71	37.1 Å²	37.1	50%	0.497	20%	0.203	S	C	.	.	H	α-helix	trans	-71.9	-39.4	178.4	-59.9	0	0	0	0	112.3	L437 M438	L437-S441 VanDerWaalsContact O-CB 3.24Å; L437-S441 WeakPolarHBondContact O-CB 3.41Å; L437-S441 PolarHBondContact O-N 3.25Å; L437-S441 PolarHBondContact O-OG 3.23Å; M438-S441 PolarHBondContact O-N 2.86Å
442	I	95.9	Very high	95.6	Very high	34 Å²	34	34.5 Å²	34.5	17%	0.174	19%	0.186	C	C	.	.	H	α-helix	trans	-72.8	-34.8	174.5	-66.5	168.7	0	0	0	110.4	K400 M402 W410 M438 E444 I446	K400-I442 HydrophobicContact CD-CG2 3.96Å; M402-I442 HydrophobicContact CE-CD1 3.62Å; W410-I442 HydrophobicContact CZ2-CG1 4.42Å; M438-I442 HydrophobicContact CG-CD1 3.72Å; M438-I442 WeakPolarHBondContact O-CG1 3.39Å; M438-I442 PolarHBondContact O-N 3.23Å; I442-E444 VanDerWaalsContact C-N 3.29Å; I442-E444 HydrophobicContact CG2-CB 4.21Å; I442-E444 PolarHBondContact O-N 2.9Å; I442-I446 HydrophobicContact CB-CD1 4.16Å; I442-I446 HydrophobicContact CD1-CD1 3.6Å; I442-I446 HydrophobicContact CG1-CD1 4.48Å; I442-I446 HydrophobicContact CG2-CD1 4.06Å; I442-I446 HydrophobicContact CG2-CG1 4.49Å
443	N	93.9	Very high	95.9	Very high	115 Å²	115	32.7 Å²	32.7	62%	0.615	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	35.8	175.6	-162.9	31.1	0	0	0	114.4	T439	T439-N443 WeakPolarHBondContact O-CA 3.34Å; T439-N443 PolarHBondContact O-N 3.46Å
444	E	94.2	Very high	95.9	Very high	112 Å²	112	35.9 Å²	35.9	52%	0.523	18%	0.181	S	C	.	.	S	Bend	trans	-134.5	161.3	173.5	-65.1	-177.5	-173.7	0	0	109.5	I442	I442-E444 VanDerWaalsContact C-N 3.29Å; I442-E444 HydrophobicContact CG2-CB 4.21Å; I442-E444 PolarHBondContact O-N 2.9Å
445	T	96.7	Very high	95.8	Very high	14 Å²	14	38.1 Å²	38.1	9%	0.086	19%	0.192	C	C	.	.			trans	-72.2	128.2	170	-54.9	0	0	0	0	109.7	F399 K400 V475 L476 M477	F399-T445 HydrophobicContact CB-CG2 4.39Å; F399-T445 HydrophobicContact CD1-CG2 3.98Å; F399-T445 HydrophobicContact CD2-CG2 3.44Å; F399-T445 VanDerWaalsContact CD2-CG2 3.44Å; F399-T445 HydrophobicContact CE1-CG2 4.1Å; F399-T445 HydrophobicContact CE2-CG2 3.55Å; F399-T445 HydrophobicContact CG-CG2 3.67Å; F399-T445 HydrophobicContact CZ-CG2 3.89Å; K400-T445 PolarHBondContact N-O 2.8Å; T445-V475 HydrophobicContact CG2-CG1 4.08Å; T445-L476 WeakPolarHBondContact CA-O 3.43Å; T445-M477 HydrophobicContact CG2-CE 3.42Å; T445-M477 VanDerWaalsContact CG2-CE 3.42Å; T445-M477 HydrophobicContact CG2-SD 3.55Å; T445-M477 VanDerWaalsContact CG2-SD 3.55Å; T445-M477 PolarHBondContact OG1-SD 3.17Å
446	I	98.4	Very high	95.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.3	-175.9	-51.7	173.1	0	0	0	109.7	K400 M402 T439 I442 L448 L476	K400-I446 HydrophobicContact CD-CG1 4.47Å; K400-I446 CarbonylContact O-C 3.56Å; K400-I446 VanDerWaalsContact O-CA 3.31Å; K400-I446 WeakPolarHBondContact O-CA 3.23Å; M402-I446 HydrophobicContact CB-CG2 3.69Å; T439-I446 HydrophobicContact CG2-CD1 4.41Å; I442-I446 HydrophobicContact CB-CD1 4.16Å; I442-I446 HydrophobicContact CD1-CD1 3.6Å; I442-I446 HydrophobicContact CG1-CD1 4.48Å; I442-I446 HydrophobicContact CG2-CD1 4.06Å; I442-I446 HydrophobicContact CG2-CG1 4.49Å; I446-L448 HydrophobicContact CG2-CB 4.49Å; I446-L476 HydrophobicContact CB-CB 4.25Å; I446-L476 PolarHBondContact N-O 3.46Å; I446-L476 PolarHBondContact O-N 2.67Å
447	L	98.6	Very high	95.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	94	162.2	-62.7	176.5	0	0	0	107.2	L362 F399 K400 R401 M402 C449 V473 V475	L362-L447 HydrophobicContact CB-CD1 4.17Å; L362-L447 HydrophobicContact CD2-CD1 4.36Å; F399-L447 HydrophobicContact CB-CD1 4.08Å; F399-L447 HydrophobicContact CB-CG 3.92Å; F399-L447 HydrophobicContact CD2-CD2 4.08Å; F399-L447 HydrophobicContact CD2-CG 4.2Å; K400-L447 PolarHBondContact O-N 2.92Å; R401-L447 HydrophobicContact CG-CD1 4.4Å; M402-L447 PolarHBondContact N-O 3.33Å; M402-L447 VanDerWaalsContact O-O 3.13Å; L447-C449 PolarHBondContact O-N 3.23Å; L447-C449 PolarHBondContact O-SG 3.47Å; L447-V473 HydrophobicContact CB-CG2 4.12Å; L447-V473 HydrophobicContact CD2-CG2 4.11Å; L447-V475 HydrophobicContact CD2-CB 4.4Å; L447-V475 HydrophobicContact CD2-CG1 4.35Å; L447-V475 HydrophobicContact CD2-CG2 3.68Å
448	L	98.6	Very high	95.7	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	114.9	178.2	-176.6	60	0	0	0	108.6	M402 A407 M438 I446 F451 V473 D474 L476	M402-L448 HydrophobicContact CB-CD1 4.27Å; M402-L448 HydrophobicContact CG-CD1 4.04Å; M402-L448 CarbonylContact O-C 3.58Å; M402-L448 VanDerWaalsContact O-CA 3.26Å; M402-L448 WeakPolarHBondContact O-CA 3.46Å; M402-L448 HydrophobicContact SD-CD1 4.39Å; A407-L448 HydrophobicContact CB-CD1 3.71Å; M438-L448 HydrophobicContact CE-CD2 4.43Å; I446-L448 HydrophobicContact CG2-CB 4.49Å; L448-F451 HydrophobicContact CB-CZ 4.25Å; L448-F451 HydrophobicContact CD2-CE1 3.93Å; L448-F451 HydrophobicContact CD2-CZ 3.55Å; L448-F451 HydrophobicContact CG-CE1 4.26Å; L448-F451 HydrophobicContact CG-CE2 4.14Å; L448-F451 HydrophobicContact CG-CZ 3.59Å; L448-F451 VanDerWaalsContact O-CE2 3.29Å; L448-F451 WeakPolarHBondContact O-CE2 3.28Å; L448-V473 CarbonylContact O-C 3.48Å; L448-V473 VanDerWaalsContact O-CA 3.29Å; L448-V473 WeakPolarHBondContact O-CA 3.44Å; L448-D474 PolarHBondContact N-O 2.93Å; L448-D474 PolarHBondContact O-N 2.92Å; L448-L476 HydrophobicContact CB-CD1 3.9Å; L448-L476 HydrophobicContact CB-CG 4.17Å; L448-L476 HydrophobicContact CD2-CD1 3.87Å; L448-L476 HydrophobicContact CG-CD1 4.49Å
449	C	98.6	Very high	95.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	165.8	-165.9	-58.4	0	0	0	0	112.5	F358 M402 N403 Y404 L447 S472	F358-C449 HydrophobicContact CE1-CB 4.23Å; F358-C449 HydrophobicContact CZ-CB 4.05Å; M402-C449 PolarHBondContact O-N 3.24Å; N403-C449 CarbonylContact C-O 3.54Å; N403-C449 VanDerWaalsContact CA-O 3.32Å; N403-C449 WeakPolarHBondContact CA-O 3.25Å; Y404-C449 PolarHBondContact N-O 3.11Å; L447-C449 PolarHBondContact O-N 3.23Å; L447-C449 PolarHBondContact O-SG 3.47Å; C449-S472 CarbonylContact C-O 3.56Å; C449-S472 VanDerWaalsContact CA-O 3.25Å; C449-S472 WeakPolarHBondContact CA-O 3.37Å
450	R	98.3	Very high	95.7	Very high	53 Å²	53	35.6 Å²	35.6	20%	0.2	18%	0.183	C	C	.	.			trans	62.2	53.9	165	-58.6	-171.1	177.3	73.2	6.5	115	F358 N403 E465 L469 T470 S472	F358-R450 HydrophobicContact CE1-CG 4.42Å; N403-R450 WeakPolarHBondContact OD1-CD 3.39Å; N403-R450 PolarHBondContact OD1-NH1 3.25Å; R450-E465 IonicContact CZ-OE1 3.44Å; R450-E465 IonicContact NE-OE1 3.94Å; R450-E465 PolarHBondContact NE-OE1 3.37Å; R450-E465 IonicContact NH2-OE1 3.25Å; R450-L469 HydrophobicContact CB-CB 4.36Å; R450-L469 HydrophobicContact CB-CD1 4.2Å; R450-L469 VanDerWaalsContact O-CD2 3.28Å; R450-L469 WeakPolarHBondContact O-CD2 3.22Å; R450-T470 VanDerWaalsContact CA-O 3.24Å; R450-T470 WeakPolarHBondContact CA-O 3.43Å; R450-S472 PolarHBondContact N-O 2.85Å
451	F	98.3	Very high	95.9	Very high	5 Å²	5	34.8 Å²	34.8	2%	0.022	18%	0.178	C	C	.	.			trans	-72.1	150.4	177.5	-67.8	-96.4	0	0	0	112.4	Y404 L448 K456 L469 T470 S472 D474	Y404-F451 AromaticContact CD2-CD1 3.7Å; Y404-F451 HydrophobicContact CD2-CD1 3.7Å; Y404-F451 HydrophobicContact CD2-CE1 4.11Å; Y404-F451 HydrophobicContact CE2-CD1 4.5Å; Y404-F451 HydrophobicContact CG-CD1 4.32Å; L448-F451 HydrophobicContact CB-CZ 4.25Å; L448-F451 HydrophobicContact CD2-CE1 3.93Å; L448-F451 HydrophobicContact CD2-CZ 3.55Å; L448-F451 HydrophobicContact CG-CE1 4.26Å; L448-F451 HydrophobicContact CG-CE2 4.14Å; L448-F451 HydrophobicContact CG-CZ 3.59Å; L448-F451 VanDerWaalsContact O-CE2 3.29Å; L448-F451 WeakPolarHBondContact O-CE2 3.28Å; F451-K456 HydrophobicContact CB-CD 4.19Å; F451-K456 VanDerWaalsContact CB-CE 3.48Å; F451-K456 HydrophobicContact CB-CG 3.62Å; F451-K456 VanDerWaalsContact CD2-CE 3.49Å; F451-K456 HydrophobicContact CG-CD 4.44Å; F451-K456 HydrophobicContact CG-CG 4.39Å; F451-L469 WeakPolarHBondContact O-CA 3.4Å; F451-T470 PolarHBondContact O-N 3.29Å; F451-T470 PolarHBondContact O-OG1 3.3Å; F451-S472 WeakPolarHBondContact CD2-OG 3.48Å; F451-S472 PolarHBondContact N-OG 3.46Å; F451-D474 HydrophobicContact CE2-CB 4.07Å; F451-D474 VanDerWaalsContact CE2-OD2 3.27Å; F451-D474 WeakPolarHBondContact CE2-OD2 3.49Å; F451-D474 HydrophobicContact CZ-CB 4.05Å; F451-D474 WeakPolarHBondContact CZ-OD2 3.3Å
452	P	97.4	Very high	96	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-55.8	144.6	174.1	-24.5	32.5	0	0	0	112.9	Y404 F426 E454 I455 R468 L469	Y404-P452 VanDerWaalsContact CD1-CD 3.45Å; Y404-P452 HydrophobicContact CD1-CG 3.67Å; Y404-P452 HydrophobicContact CE1-CG 3.35Å; Y404-P452 HydrophobicContact CE2-CG 4.34Å; Y404-P452 HydrophobicContact CG-CG 4.29Å; F426-P452 HydrophobicContact CE1-CG 4.47Å; F426-P452 HydrophobicContact CE2-CG 4.13Å; F426-P452 HydrophobicContact CZ-CB 4.35Å; F426-P452 HydrophobicContact CZ-CG 4.05Å; P452-E454 VanDerWaalsContact C-N 3.25Å; P452-E454 PolarHBondContact O-N 3.44Å; P452-I455 HydrophobicContact CB-CD1 4.5Å; P452-I455 HydrophobicContact CB-CG1 4.19Å; P452-I455 HydrophobicContact CG-CD1 4.29Å; P452-I455 WeakPolarHBondContact O-CG1 3.43Å; P452-I455 PolarHBondContact O-N 2.74Å; P452-R468 CarbonylContact C-O 3.5Å; P452-R468 WeakPolarHBondContact CA-O 3.48Å; P452-L469 HydrophobicContact CG-CD2 4.37Å
453	A	94.4	Very high	96.1	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.017	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-34.6	-177	0	0	0	0	0	114.6	R462 R468	A453-R462 PolarHBondContact O-NH1 2.87Å; A453-R468 WeakPolarHBondContact CB-O 3.32Å; A453-R468 PolarHBondContact N-O 3.32Å
454	E	91.4	Very high	96.2	Very high	136 Å²	136	30.8 Å²	30.8	64%	0.636	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-18.8	-169.8	-62.6	75.5	-165.9	0	0	112.9	P452	P452-E454 VanDerWaalsContact C-N 3.25Å; P452-E454 PolarHBondContact O-N 3.44Å
455	I	91.4	Very high	96.2	Very high	54 Å²	54	31 Å²	31	28%	0.277	16%	0.156	S	C	.	.	S	Bend	trans	-108.7	2.7	-178.7	66.2	170.6	0	0	0	113.3	Y404 G427 P452	Y404-I455 HydrophobicContact CE2-CD1 4.33Å; G427-I455 WeakPolarHBondContact O-CG2 3.49Å; P452-I455 HydrophobicContact CB-CD1 4.5Å; P452-I455 HydrophobicContact CB-CG1 4.19Å; P452-I455 HydrophobicContact CG-CD1 4.29Å; P452-I455 WeakPolarHBondContact O-CG1 3.43Å; P452-I455 PolarHBondContact O-N 2.74Å
456	K	93.3	Very high	96.2	Very high	41 Å²	41	32.2 Å²	32.2	18%	0.178	16%	0.162	C	C	.	.	S	Bend	trans	-121.4	162	-178.4	-75.2	-62.3	-171.5	176.4	0	111.1	F451 M460 T470 D474	F451-K456 HydrophobicContact CB-CD 4.19Å; F451-K456 VanDerWaalsContact CB-CE 3.48Å; F451-K456 HydrophobicContact CB-CG 3.62Å; F451-K456 VanDerWaalsContact CD2-CE 3.49Å; F451-K456 HydrophobicContact CG-CD 4.44Å; F451-K456 HydrophobicContact CG-CG 4.39Å; K456-M460 HydrophobicContact CB-CE 4.45Å; K456-M460 HydrophobicContact CB-SD 3.68Å; K456-M460 HydrophobicContact CD-CE 4.18Å; K456-M460 HydrophobicContact CD-SD 4.12Å; K456-M460 HydrophobicContact CG-SD 4.06Å; K456-T470 HydrophobicContact CB-CG2 4.5Å; K456-D474 IonicContact NZ-OD1 3.95Å; K456-D474 PolarHBondContact NZ-OD1 3Å; K456-D474 IonicContact NZ-OD2 2.81Å; K456-D474 PolarHBondContact NZ-OD2 3.06Å
457	S	93.4	Very high	96	Very high	31 Å²	31	39.6 Å²	39.6	22%	0.217	19%	0.19	C	C	.	.			trans	-64.4	152.4	-172.3	-49.7	0	0	0	0	113.4	Y459 M460	S457-Y459 PolarHBondContact O-N 3.41Å; S457-Y459 VanDerWaalsContact O-N 3.15Å; S457-M460 WeakPolarHBondContact O-CG 3.31Å; S457-M460 PolarHBondContact O-N 3.22Å
458	F	93.3	Very high	95.9	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.035	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.8	-170.8	74.8	-82.8	0	0	0	115.9	M460 I490 L496 Y500 E503 I505	F458-M460 VanDerWaalsContact C-N 3.33Å; F458-I490 WeakPolarHBondContact O-CD1 3.44Å; F458-L496 HydrophobicContact CD2-CD1 4.35Å; F458-L496 HydrophobicContact CE2-CD1 4.11Å; F458-Y500 HydrophobicContact CE2-CD1 4.34Å; F458-Y500 HydrophobicContact CE2-CD2 4.25Å; F458-Y500 AromaticContact CE2-CE1 3.92Å; F458-Y500 HydrophobicContact CE2-CE1 3.92Å; F458-Y500 AromaticContact CE2-CE2 3.83Å; F458-Y500 HydrophobicContact CE2-CE2 3.83Å; F458-Y500 HydrophobicContact CE2-CG 4.47Å; F458-Y500 AromaticContact CE2-CZ 3.62Å; F458-Y500 HydrophobicContact CZ-CE1 4.07Å; F458-Y500 AromaticContact CZ-CZ 3.96Å; F458-E503 HydrophobicContact CB-CG 3.49Å; F458-E503 VanDerWaalsContact CB-CG 3.49Å; F458-E503 HydrophobicContact CG-CG 4.25Å; F458-I505 HydrophobicContact CD1-CD1 4.09Å; F458-I505 HydrophobicContact CE1-CD1 4.15Å
459	Y	95.4	Very high	95.8	Very high	8 Å²	8	46.8 Å²	46.8	3%	0.031	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-9.8	-177.4	59.3	-106.1	0	0	0	113.2	V289 Q312 S457 R489 I490	V289-Y459 HydrophobicContact CG1-CE1 4.29Å; Q312-Y459 VanDerWaalsContact NE2-CD2 3.27Å; Q312-Y459 VanDerWaalsContact NE2-CE2 3.27Å; Q312-Y459 PolarHBondContact OE1-OH 3.22Å; S457-Y459 PolarHBondContact O-N 3.41Å; S457-Y459 VanDerWaalsContact O-N 3.15Å; Y459-R489 VanDerWaalsContact CE2-NH1 3.32Å; Y459-R489 WeakPolarHBondContact O-CA 3.4Å; Y459-I490 PolarHBondContact O-N 3.06Å
460	M	97.9	Very high	95.8	Very high	14 Å²	14	46.8 Å²	46.8	7%	0.069	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-75.5	129.5	-173.8	-59.9	-163.9	178.9	0	0	111.5	K456 S457 F458 T470 S487	K456-M460 HydrophobicContact CB-CE 4.45Å; K456-M460 HydrophobicContact CB-SD 3.68Å; K456-M460 HydrophobicContact CD-CE 4.18Å; K456-M460 HydrophobicContact CD-SD 4.12Å; K456-M460 HydrophobicContact CG-SD 4.06Å; S457-M460 WeakPolarHBondContact O-CG 3.31Å; S457-M460 PolarHBondContact O-N 3.22Å; F458-M460 VanDerWaalsContact C-N 3.33Å; M460-T470 HydrophobicContact CB-CG2 3.93Å; M460-S487 WeakPolarHBondContact CG-OG 3.38Å
461	Q	98.4	Very high	95.9	Very high	29 Å²	29	45.9 Å²	45.9	14%	0.136	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-62.1	140.8	179.1	179.7	60.2	-3	0	0	111.3	T470 E471 M488	Q461-T470 CarbonylContact O-C 3.56Å; Q461-T470 WeakPolarHBondContact O-CA 3.46Å; Q461-E471 HydrophobicContact CB-CB 4.47Å; Q461-E471 VanDerWaalsContact CG-OE2 3.23Å; Q461-E471 WeakPolarHBondContact CG-OE2 3.38Å; Q461-E471 PolarHBondContact O-N 2.99Å; Q461-M488 HydrophobicContact CB-CB 3.79Å; Q461-M488 HydrophobicContact CG-CB 4.39Å; Q461-M488 PolarHBondContact N-O 3.37Å
462	R	97.9	Very high	95.9	Very high	29 Å²	29	45.6 Å²	45.6	11%	0.109	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-77	144.5	174	-62.1	-57.2	-169.7	-148.9	1.8	111.3	A453 R467 L469 E495	A453-R462 PolarHBondContact O-NH1 2.87Å; R462-R467 WeakPolarHBondContact CD-O 3.44Å; R462-L469 WeakPolarHBondContact CA-O 3.4Å; R462-E495 WeakPolarHBondContact CG-OE1 3.37Å
463	C	97.9	Very high	95.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-63.6	133.3	170.4	-69.1	0	0	0	0	109.8	E465 D466 L469 T470	C463-E465 VanDerWaalsContact C-N 3.26Å; C463-E465 HydrophobicContact CB-CG 4.49Å; C463-E465 PolarHBondContact O-N 2.88Å; C463-D466 WeakPolarHBondContact CB-O 3.49Å; C463-D466 CarbonylContact O-C 3.52Å; C463-D466 PolarHBondContact O-N 2.89Å; C463-L469 HydrophobicContact CB-CB 4.29Å; C463-L469 PolarHBondContact N-O 3.32Å; C463-T470 PolarHBondContact SG-O 3.29Å; C463-T470 VanDerWaalsContact SG-O 3.34Å
464	P	95.8	Very high	96.1	Very high	106 Å²	106	46.2 Å²	46.2	69%	0.688	22%	0.217	S	C	*	.	S	Bend	trans	-65.4	-29.3	179	24.5	-32.8	0	0	0	113
465	E	95.6	Very high	96.4	Very high	118 Å²	118	39.7 Å²	39.7	55%	0.551	19%	0.187	S	C	*	.	S	Bend	trans	-80.2	-30.4	-180	68.2	-82.9	-163.5	0	0	114.1	R450 C463	R450-E465 IonicContact CZ-OE1 3.44Å; R450-E465 IonicContact NE-OE1 3.94Å; R450-E465 PolarHBondContact NE-OE1 3.37Å; R450-E465 IonicContact NH2-OE1 3.25Å; C463-E465 VanDerWaalsContact C-N 3.26Å; C463-E465 HydrophobicContact CB-CG 4.49Å; C463-E465 PolarHBondContact O-N 2.88Å
466	D	95.8	Very high	96.7	Very high	39 Å²	39	37.1 Å²	37.1	21%	0.209	17%	0.174	C	C	.	.			trans	-149.2	102.2	178	-172.2	-12.1	0	0	0	110	C463 R468 L469	C463-D466 WeakPolarHBondContact CB-O 3.49Å; C463-D466 CarbonylContact O-C 3.52Å; C463-D466 PolarHBondContact O-N 2.89Å; D466-R468 PolarHBondContact O-N 3.47Å; D466-R468 VanDerWaalsContact OD1-CB 3.28Å; D466-R468 WeakPolarHBondContact OD1-CB 3.37Å; D466-R468 WeakPolarHBondContact OD1-CG 3.44Å; D466-R468 IonicContact OD1-CZ 3.85Å; D466-R468 PolarHBondContact OD1-N 3.5Å; D466-R468 IonicContact OD1-NE 3.9Å; D466-R468 PolarHBondContact OD1-NE 3Å; D466-R468 IonicContact OD1-NH2 3.88Å; D466-R468 IonicContact OD2-CZ 3.85Å; D466-R468 IonicContact OD2-NE 2.98Å; D466-R468 PolarHBondContact OD2-NE 3.28Å; D466-R468 IonicContact OD2-NH2 3.84Å; D466-R468 PolarHBondContact OD2-NH2 2.99Å; D466-L469 HydrophobicContact CB-CD1 4.24Å; D466-L469 HydrophobicContact CB-CG 4.43Å; D466-L469 PolarHBondContact O-N 2.98Å
467	R	95.2	Very high	96.8	Very high	155 Å²	155	35.2 Å²	35.2	59%	0.585	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-5.2	-177.1	-63	-162.1	72	137.1	6.5	114.4	R462 E495	R462-R467 WeakPolarHBondContact CD-O 3.44Å; R467-E495 IonicContact CZ-OE1 3.96Å; R467-E495 IonicContact CZ-OE2 2.66Å; R467-E495 IonicContact NH2-OE1 3.37Å; R467-E495 PolarHBondContact NH2-OE1 3.26Å; R467-E495 IonicContact NH2-OE2 2.68Å; R467-E495 PolarHBondContact NH2-OE2 2.64Å
468	R	95.4	Very high	96.7	Very high	139 Å²	139	34.3 Å²	34.3	53%	0.525	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.3	169.4	-57	174.3	-63.8	163.3	4.5	112	P452 A453 D466	P452-R468 CarbonylContact C-O 3.5Å; P452-R468 WeakPolarHBondContact CA-O 3.48Å; A453-R468 WeakPolarHBondContact CB-O 3.32Å; A453-R468 PolarHBondContact N-O 3.32Å; D466-R468 PolarHBondContact O-N 3.47Å; D466-R468 VanDerWaalsContact OD1-CB 3.28Å; D466-R468 WeakPolarHBondContact OD1-CB 3.37Å; D466-R468 WeakPolarHBondContact OD1-CG 3.44Å; D466-R468 IonicContact OD1-CZ 3.85Å; D466-R468 PolarHBondContact OD1-N 3.5Å; D466-R468 IonicContact OD1-NE 3.9Å; D466-R468 PolarHBondContact OD1-NE 3Å; D466-R468 IonicContact OD1-NH2 3.88Å; D466-R468 IonicContact OD2-CZ 3.85Å; D466-R468 IonicContact OD2-NE 2.98Å; D466-R468 PolarHBondContact OD2-NE 3.28Å; D466-R468 IonicContact OD2-NH2 3.84Å; D466-R468 PolarHBondContact OD2-NH2 2.99Å
469	L	97.8	Very high	96.3	Very high	15 Å²	15	38 Å²	38	8%	0.079	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-109.7	159.3	-179.8	-57.2	174.7	0	0	0	110.8	F426 R450 F451 P452 R462 C463 D466	F426-L469 HydrophobicContact CE2-CD2 3.98Å; F426-L469 HydrophobicContact CZ-CD2 4.01Å; R450-L469 HydrophobicContact CB-CB 4.36Å; R450-L469 HydrophobicContact CB-CD1 4.2Å; R450-L469 VanDerWaalsContact O-CD2 3.28Å; R450-L469 WeakPolarHBondContact O-CD2 3.22Å; F451-L469 WeakPolarHBondContact O-CA 3.4Å; P452-L469 HydrophobicContact CG-CD2 4.37Å; R462-L469 WeakPolarHBondContact CA-O 3.4Å; C463-L469 HydrophobicContact CB-CB 4.29Å; C463-L469 PolarHBondContact N-O 3.32Å; D466-L469 HydrophobicContact CB-CD1 4.24Å; D466-L469 HydrophobicContact CB-CG 4.43Å; D466-L469 PolarHBondContact O-N 2.98Å
470	T	98.4	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-109.8	149.3	177.4	51	0	0	0	0	111	R450 F451 K456 M460 Q461 C463 S472	R450-T470 VanDerWaalsContact CA-O 3.24Å; R450-T470 WeakPolarHBondContact CA-O 3.43Å; F451-T470 PolarHBondContact O-N 3.29Å; F451-T470 PolarHBondContact O-OG1 3.3Å; K456-T470 HydrophobicContact CB-CG2 4.5Å; M460-T470 HydrophobicContact CB-CG2 3.93Å; Q461-T470 CarbonylContact O-C 3.56Å; Q461-T470 WeakPolarHBondContact O-CA 3.46Å; C463-T470 PolarHBondContact SG-O 3.29Å; C463-T470 VanDerWaalsContact SG-O 3.34Å; T470-S472 PolarHBondContact O-N 3.15Å; T470-S472 WeakPolarHBondContact OG1-CB 3.47Å; T470-S472 PolarHBondContact OG1-OG 3.32Å
471	E	98.6	Very high	95.8	Very high	34 Å²	34	37.4 Å²	37.4	16%	0.159	18%	0.177	C	C	.	.	S	Bend	trans	-75.6	60.9	167.9	-68.6	-174	145.5	0	0	109.9	F358 Q461 S487 M488	F358-E471 HydrophobicContact CB-CB 4.3Å; F358-E471 HydrophobicContact CB-CG 4.35Å; F358-E471 HydrophobicContact CD1-CB 4.45Å; F358-E471 HydrophobicContact CD2-CB 3.96Å; F358-E471 VanDerWaalsContact CE2-C 3.49Å; F358-E471 HydrophobicContact CE2-CB 4.41Å; F358-E471 WeakPolarHBondContact CE2-O 3.49Å; F358-E471 HydrophobicContact CG-CB 3.99Å; F358-E471 HydrophobicContact CG-CG 4.33Å; Q461-E471 HydrophobicContact CB-CB 4.47Å; Q461-E471 VanDerWaalsContact CG-OE2 3.23Å; Q461-E471 WeakPolarHBondContact CG-OE2 3.38Å; Q461-E471 PolarHBondContact O-N 2.99Å; E471-S487 CarbonylContact O-C 3.6Å; E471-S487 VanDerWaalsContact O-CA 3.27Å; E471-S487 WeakPolarHBondContact O-CA 3.47Å; E471-M488 HydrophobicContact CB-CB 3.76Å; E471-M488 HydrophobicContact CB-CG 3.83Å; E471-M488 PolarHBondContact O-N 3.47Å; E471-M488 VanDerWaalsContact OE2-CB 3.3Å; E471-M488 WeakPolarHBondContact OE2-CB 2.98Å; E471-M488 WeakPolarHBondContact OE2-CG 3.33Å
472	S	98.6	Very high	95.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	153.7	-178.8	55.7	0	0	0	0	111.1	F358 C449 R450 F451 T470 G486	F358-S472 VanDerWaalsContact CZ-O 3.28Å; F358-S472 WeakPolarHBondContact CZ-O 3.26Å; C449-S472 CarbonylContact C-O 3.56Å; C449-S472 VanDerWaalsContact CA-O 3.25Å; C449-S472 WeakPolarHBondContact CA-O 3.37Å; R450-S472 PolarHBondContact N-O 2.85Å; F451-S472 WeakPolarHBondContact CD2-OG 3.48Å; F451-S472 PolarHBondContact N-OG 3.46Å; T470-S472 PolarHBondContact O-N 3.15Å; T470-S472 WeakPolarHBondContact OG1-CB 3.47Å; T470-S472 PolarHBondContact OG1-OG 3.32Å; S472-G486 WeakPolarHBondContact CA-O 3.29Å
473	V	98.8	Very high	95.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	134.4	-179.6	54.2	0	0	0	0	110.7	F358 L361 L362 L365 L447 L448 G486	F358-V473 HydrophobicContact CE2-CB 4.1Å; F358-V473 HydrophobicContact CE2-CG1 4.08Å; F358-V473 HydrophobicContact CZ-CB 4.17Å; L361-V473 HydrophobicContact CD2-CG1 4.19Å; L362-V473 HydrophobicContact CD2-CB 3.64Å; L362-V473 HydrophobicContact CD2-CG1 3.88Å; L362-V473 HydrophobicContact CD2-CG2 3.48Å; L362-V473 VanDerWaalsContact CD2-CG2 3.48Å; L365-V473 HydrophobicContact CD1-CB 4.4Å; L365-V473 HydrophobicContact CD1-CG1 3.4Å; L365-V473 HydrophobicContact CD1-CG2 4.1Å; L447-V473 HydrophobicContact CB-CG2 4.12Å; L447-V473 HydrophobicContact CD2-CG2 4.11Å; L448-V473 CarbonylContact O-C 3.48Å; L448-V473 VanDerWaalsContact O-CA 3.29Å; L448-V473 WeakPolarHBondContact O-CA 3.44Å; V473-G486 PolarHBondContact N-O 2.96Å; V473-G486 PolarHBondContact O-N 3.3Å
474	D	98.4	Very high	95.4	Very high	14 Å²	14	37 Å²	37	8%	0.075	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.4	168.4	-64.1	-21.4	0	0	0	108.7	L448 F451 K456 L476 E482 V484	L448-D474 PolarHBondContact N-O 2.93Å; L448-D474 PolarHBondContact O-N 2.92Å; F451-D474 HydrophobicContact CE2-CB 4.07Å; F451-D474 VanDerWaalsContact CE2-OD2 3.27Å; F451-D474 WeakPolarHBondContact CE2-OD2 3.49Å; F451-D474 HydrophobicContact CZ-CB 4.05Å; F451-D474 WeakPolarHBondContact CZ-OD2 3.3Å; K456-D474 IonicContact NZ-OD1 3.95Å; K456-D474 PolarHBondContact NZ-OD1 3Å; K456-D474 IonicContact NZ-OD2 2.81Å; K456-D474 PolarHBondContact NZ-OD2 3.06Å; D474-L476 HydrophobicContact CB-CD2 4.26Å; D474-E482 HydrophobicContact CB-CG 4.27Å; D474-V484 CarbonylContact C-O 3.37Å; D474-V484 WeakPolarHBondContact CA-O 3.42Å
475	V	98.3	Very high	95.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	109.9	177.5	-175.1	0	0	0	0	108.8	L365 T445 L447 M477 E482 I483 V484	L365-V475 HydrophobicContact CB-CG2 4.3Å; L365-V475 HydrophobicContact CD1-CG2 4.09Å; L365-V475 HydrophobicContact CD2-CG2 4.38Å; T445-V475 HydrophobicContact CG2-CG1 4.08Å; L447-V475 HydrophobicContact CD2-CB 4.4Å; L447-V475 HydrophobicContact CD2-CG1 4.35Å; L447-V475 HydrophobicContact CD2-CG2 3.68Å; V475-M477 HydrophobicContact CG1-CE 4.42Å; V475-E482 WeakPolarHBondContact O-CA 3.28Å; V475-I483 HydrophobicContact CB-CG1 4.29Å; V475-I483 HydrophobicContact CG1-CD1 4.27Å; V475-I483 HydrophobicContact CG1-CG1 4.17Å; V475-I483 WeakPolarHBondContact O-CG1 3.39Å; V475-I483 PolarHBondContact O-N 2.87Å; V475-V484 HydrophobicContact CB-CB 3.87Å; V475-V484 HydrophobicContact CB-CG2 4.13Å; V475-V484 HydrophobicContact CG2-CB 3.71Å; V475-V484 HydrophobicContact CG2-CG1 4.4Å; V475-V484 HydrophobicContact CG2-CG2 4.14Å; V475-V484 PolarHBondContact N-O 2.91Å
476	L	97.5	Very high	95.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.4	-179.1	-46.8	-176.8	0	0	0	110.6	E435 M438 T439 T445 I446 L448 D474 E482	E435-L476 HydrophobicContact CG-CD1 3.88Å; E435-L476 HydrophobicContact CG-CD2 3.87Å; E435-L476 HydrophobicContact CG-CG 4.47Å; E435-L476 WeakPolarHBondContact OE2-CD2 3.33Å; M438-L476 HydrophobicContact CE-CD1 3.9Å; T439-L476 HydrophobicContact CG2-CB 3.93Å; T445-L476 WeakPolarHBondContact CA-O 3.43Å; I446-L476 HydrophobicContact CB-CB 4.25Å; I446-L476 PolarHBondContact N-O 3.46Å; I446-L476 PolarHBondContact O-N 2.67Å; L448-L476 HydrophobicContact CB-CD1 3.9Å; L448-L476 HydrophobicContact CB-CG 4.17Å; L448-L476 HydrophobicContact CD2-CD1 3.87Å; L448-L476 HydrophobicContact CG-CD1 4.49Å; D474-L476 HydrophobicContact CB-CD2 4.26Å; L476-E482 HydrophobicContact CD2-CB 3.88Å; L476-E482 HydrophobicContact CD2-CG 4.47Å
477	M	94.8	Very high	95.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.8	177.7	-76.3	-66.9	-176.6	0	0	111.7	V369 P395 F399 T439 T445 V475 V480 G481 I483 W537	V369-M477 HydrophobicContact CG1-CE 3.48Å; V369-M477 VanDerWaalsContact CG1-CE 3.48Å; P395-M477 HydrophobicContact CB-CE 4.49Å; F399-M477 HydrophobicContact CZ-CE 4.43Å; T439-M477 VanDerWaalsContact CG2-C 3.46Å; T445-M477 HydrophobicContact CG2-CE 3.42Å; T445-M477 VanDerWaalsContact CG2-CE 3.42Å; T445-M477 HydrophobicContact CG2-SD 3.55Å; T445-M477 VanDerWaalsContact CG2-SD 3.55Å; T445-M477 PolarHBondContact OG1-SD 3.17Å; V475-M477 HydrophobicContact CG1-CE 4.42Å; M477-V480 PolarHBondContact O-N 3.22Å; M477-G481 PolarHBondContact N-O 3.01Å; M477-G481 PolarHBondContact O-N 2.78Å; M477-I483 HydrophobicContact CB-CG1 4.45Å; M477-I483 HydrophobicContact CB-CG2 4.37Å; M477-I483 HydrophobicContact CE-CD1 3.9Å; M477-I483 HydrophobicContact CG-CD1 3.45Å; M477-I483 VanDerWaalsContact CG-CD1 3.45Å; M477-I483 HydrophobicContact CG-CG1 3.73Å; M477-I483 HydrophobicContact CG-CG2 4.38Å; M477-W537 HydrophobicContact CB-CD2 4.41Å; M477-W537 HydrophobicContact CB-CG 4.07Å; M477-W537 HydrophobicContact CE-CH2 3.77Å; M477-W537 HydrophobicContact CE-CZ2 3.71Å; M477-W537 HydrophobicContact CE-CZ3 4.32Å; M477-W537 HydrophobicContact CG-CD2 4.11Å; M477-W537 HydrophobicContact CG-CG 4.26Å; M477-W537 HydrophobicContact CG-CZ2 4.41Å; M477-W537 HydrophobicContact SD-CD2 4.33Å; M477-W537 HydrophobicContact SD-CH2 4.26Å; M477-W537 HydrophobicContact SD-CZ2 3.59Å; M477-W537 VanDerWaalsContact SD-CZ2 3.59Å
478	P	90.8	Very high	95.9	Very high	13 Å²	13	18.5 Å²	18.5	8%	0.084	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	145.9	171	-27.2	35.2	0	0	0	112	T439 V480	T439-P478 HydrophobicContact CG2-CG 4.31Å; P478-V480 PolarHBondContact O-N 3.15Å
479	N	84.9	Confident	96.1	Very high	85 Å²	85	12.1 Å²	12.1	46%	0.455	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	-21	-176.2	-50.8	-68.7	0	0	0	116.2	R436 D440	R436-N479 PolarHBondContact NE-O 3.44Å; R436-N479 PolarHBondContact NH2-O 2.89Å; D440-N479 WeakPolarHBondContact OD1-CA 3.34Å; D440-N479 PolarHBondContact OD1-N 2.79Å
480	V	89.7	Confident	96.1	Very high	9 Å²	9	11.5 Å²	11.5	6%	0.055	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-40.6	-177.8	176.7	0	0	0	0	113	R341 M477 P478 I483 W537	R341-V480 VanDerWaalsContact CD-O 3.23Å; R341-V480 WeakPolarHBondContact CD-O 3.29Å; R341-V480 PolarHBondContact NH1-O 3.44Å; M477-V480 PolarHBondContact O-N 3.22Å; P478-V480 PolarHBondContact O-N 3.15Å; V480-I483 HydrophobicContact CB-CG2 4.45Å; V480-I483 HydrophobicContact CG1-CG2 3.88Å; V480-W537 HydrophobicContact CB-CB 4.23Å; V480-W537 HydrophobicContact CG2-CB 3.61Å
481	G	92.4	Very high	96.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.9	-141.8	-166.8	0	0	0	0	0	111.3	E435 M477 I483	E435-G481 WeakPolarHBondContact OE1-CA 3.07Å; M477-G481 PolarHBondContact N-O 3.01Å; M477-G481 PolarHBondContact O-N 2.78Å; G481-I483 PolarHBondContact O-N 3.03Å
482	E	94.8	Very high	96.1	Very high	47 Å²	47	17.8 Å²	17.8	22%	0.22	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	122.1	-179.1	-171	-139.7	160.4	0	0	113.8	E435 D474 V475 L476 R533	E435-E482 PolarHBondContact OE1-N 2.83Å; D474-E482 HydrophobicContact CB-CG 4.27Å; V475-E482 WeakPolarHBondContact O-CA 3.28Å; L476-E482 HydrophobicContact CD2-CB 3.88Å; L476-E482 HydrophobicContact CD2-CG 4.47Å; E482-R533 WeakPolarHBondContact O-CD 3.48Å; E482-R533 IonicContact OE1-NH1 3.84Å; E482-R533 IonicContact OE2-NH1 2.82Å; E482-R533 PolarHBondContact OE2-NH1 2.94Å
483	I	95.3	Very high	96	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-21	173	55.3	152.3	0	0	0	113.8	V369 V475 M477 V480 G481 G530 R533 F534	V369-I483 HydrophobicContact CG2-CD1 4.47Å; V475-I483 HydrophobicContact CB-CG1 4.29Å; V475-I483 HydrophobicContact CG1-CD1 4.27Å; V475-I483 HydrophobicContact CG1-CG1 4.17Å; V475-I483 WeakPolarHBondContact O-CG1 3.39Å; V475-I483 PolarHBondContact O-N 2.87Å; M477-I483 HydrophobicContact CB-CG1 4.45Å; M477-I483 HydrophobicContact CB-CG2 4.37Å; M477-I483 HydrophobicContact CE-CD1 3.9Å; M477-I483 HydrophobicContact CG-CD1 3.45Å; M477-I483 VanDerWaalsContact CG-CD1 3.45Å; M477-I483 HydrophobicContact CG-CG1 3.73Å; M477-I483 HydrophobicContact CG-CG2 4.38Å; V480-I483 HydrophobicContact CB-CG2 4.45Å; V480-I483 HydrophobicContact CG1-CG2 3.88Å; G481-I483 PolarHBondContact O-N 3.03Å; I483-G530 PolarHBondContact O-N 2.77Å; I483-R533 HydrophobicContact CG2-CB 4.27Å; I483-F534 HydrophobicContact CD1-CD2 4.15Å
484	V	97.1	Very high	96	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	135.5	178.2	-168.9	0	0	0	0	108.9	L365 D474 V475 Y527 G528 L529	L365-V484 HydrophobicContact CD2-CB 4.47Å; L365-V484 HydrophobicContact CD2-CG1 3.58Å; D474-V484 CarbonylContact C-O 3.37Å; D474-V484 WeakPolarHBondContact CA-O 3.42Å; V475-V484 HydrophobicContact CB-CB 3.87Å; V475-V484 HydrophobicContact CB-CG2 4.13Å; V475-V484 HydrophobicContact CG2-CB 3.71Å; V475-V484 HydrophobicContact CG2-CG1 4.4Å; V475-V484 HydrophobicContact CG2-CG2 4.14Å; V475-V484 PolarHBondContact N-O 2.91Å; V484-Y527 HydrophobicContact CG1-CD2 4.37Å; V484-Y527 HydrophobicContact CG1-CG 4.43Å; V484-G528 WeakPolarHBondContact CA-O 3.26Å; V484-G528 WeakPolarHBondContact CG1-O 3.37Å; V484-L529 HydrophobicContact CG1-CB 4.32Å; V484-L529 HydrophobicContact CG2-CB 3.92Å; V484-L529 HydrophobicContact CG2-CD1 3.61Å; V484-L529 HydrophobicContact CG2-CG 3.92Å
485	G	97.6	Very high	95.9	Very high	20 Å²	20	26.2 Å²	26.2	21%	0.206	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.9	166.9	0	0	0	0	0	109.8	Y527 G528	G485-Y527 CarbonylContact O-C 3.44Å; G485-Y527 VanDerWaalsContact O-CA 3.29Å; G485-Y527 WeakPolarHBondContact O-CA 3.24Å; G485-G528 PolarHBondContact N-O 3.04Å; G485-G528 PolarHBondContact O-N 3.19Å
486	G	98.2	Very high	95.8	Very high	6 Å²	6	26.2 Å²	26.2	6%	0.062	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	164.2	-178.8	0	0	0	0	0	113.5	S472 V473 G526	S472-G486 WeakPolarHBondContact CA-O 3.29Å; V473-G486 PolarHBondContact N-O 2.96Å; V473-G486 PolarHBondContact O-N 3.3Å; G486-G526 CarbonylContact C-O 3.5Å; G486-G526 WeakPolarHBondContact CA-O 3.12Å
487	S	98.8	Very high	95.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	159	174.1	84.6	0	0	0	0	112.1	L361 M460 E471 R489 G525 G526	L361-S487 VanDerWaalsContact CD2-C 3.48Å; M460-S487 WeakPolarHBondContact CG-OG 3.38Å; E471-S487 CarbonylContact O-C 3.6Å; E471-S487 VanDerWaalsContact O-CA 3.27Å; E471-S487 WeakPolarHBondContact O-CA 3.47Å; S487-R489 PolarHBondContact O-NE 2.96Å; S487-R489 PolarHBondContact OG-NH1 2.99Å; S487-G525 VanDerWaalsContact O-CA 3.32Å; S487-G525 WeakPolarHBondContact O-CA 3.47Å; S487-G526 PolarHBondContact N-O 2.66Å; S487-G526 PolarHBondContact O-N 2.81Å
488	M	98.8	Very high	95.8	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.025	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	151.6	153.9	-62	-56.4	-65.5	0	0	109.8	I356 F358 L361 Q461 E471 H524	I356-M488 HydrophobicContact CD1-SD 4.11Å; I356-M488 HydrophobicContact CG1-CE 4Å; I356-M488 HydrophobicContact CG1-SD 4.1Å; I356-M488 WeakPolarHBondContact O-CE 3.41Å; F358-M488 HydrophobicContact CB-CG 3.86Å; F358-M488 HydrophobicContact CD2-CG 3.94Å; F358-M488 HydrophobicContact CG-CG 4.33Å; L361-M488 HydrophobicContact CB-SD 4.2Å; L361-M488 HydrophobicContact CD2-CG 4.48Å; L361-M488 HydrophobicContact CD2-SD 4.16Å; Q461-M488 HydrophobicContact CB-CB 3.79Å; Q461-M488 HydrophobicContact CG-CB 4.39Å; Q461-M488 PolarHBondContact N-O 3.37Å; E471-M488 HydrophobicContact CB-CB 3.76Å; E471-M488 HydrophobicContact CB-CG 3.83Å; E471-M488 PolarHBondContact O-N 3.47Å; E471-M488 VanDerWaalsContact OE2-CB 3.3Å; E471-M488 WeakPolarHBondContact OE2-CB 2.98Å; E471-M488 WeakPolarHBondContact OE2-CG 3.33Å; M488-H524 VanDerWaalsContact CE-O 3.22Å; M488-H524 WeakPolarHBondContact CE-O 3.47Å
489	R	98.5	Very high	95.9	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.015	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-106.2	145.8	-177.1	-42	-52.3	177.8	176.7	15.1	111.1	Q312 E316 E352 Y459 S487 W491 H524 G526	Q312-R489 VanDerWaalsContact CD-NH1 3.28Å; Q312-R489 VanDerWaalsContact CG-NH2 3.3Å; E316-R489 HydrophobicContact CG-CG 4.46Å; E352-R489 VanDerWaalsContact OE1-CG 3.23Å; E352-R489 WeakPolarHBondContact OE1-CG 3.25Å; E352-R489 IonicContact OE1-CZ 2.78Å; E352-R489 IonicContact OE1-NE 2.93Å; E352-R489 PolarHBondContact OE1-NE 2.84Å; E352-R489 IonicContact OE1-NH2 3.5Å; E352-R489 IonicContact OE2-CZ 3.3Å; E352-R489 IonicContact OE2-NE 3.06Å; E352-R489 PolarHBondContact OE2-NE 2.98Å; E352-R489 IonicContact OE2-NH2 2.74Å; E352-R489 PolarHBondContact OE2-NH2 3.07Å; Y459-R489 VanDerWaalsContact CE2-NH1 3.32Å; Y459-R489 WeakPolarHBondContact O-CA 3.4Å; S487-R489 PolarHBondContact O-NE 2.96Å; S487-R489 PolarHBondContact OG-NH1 2.99Å; R489-W491 PolarHBondContact O-N 2.88Å; R489-H524 WeakPolarHBondContact CB-NE2 3.35Å; R489-H524 VanDerWaalsContact CG-CD2 3.43Å; R489-H524 WeakPolarHBondContact CG-CD2 3.42Å; R489-H524 WeakPolarHBondContact CG-NE2 3.37Å; R489-H524 PolarHBondContact N-O 2.95Å; R489-G526 VanDerWaalsContact NH2-CA 3.35Å; R489-G526 PolarHBondContact NH2-O 2.68Å
490	I	98.4	Very high	96.4	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.015	15%	0.153	C	C	.	.			trans	-60.3	121	170.2	-64	167.6	0	0	0	108.2	F458 Y459 D492 E495 L496 R517	F458-I490 WeakPolarHBondContact O-CD1 3.44Å; Y459-I490 PolarHBondContact O-N 3.06Å; I490-D492 WeakPolarHBondContact CG2-O 3.26Å; I490-E495 HydrophobicContact CD1-CG 4.24Å; I490-E495 HydrophobicContact CG1-CG 4.41Å; I490-E495 HydrophobicContact CG2-CB 3.83Å; I490-E495 HydrophobicContact CG2-CG 3.83Å; I490-L496 HydrophobicContact CG2-CB 3.86Å; I490-R517 PolarHBondContact O-NE 2.98Å; I490-R517 PolarHBondContact O-NH2 2.81Å
491	W	97.7	Very high	96.6	Very high	102 Å²	102	36.2 Å²	36.2	39%	0.386	18%	0.181	S	C	.	.			trans	-111.2	-8.4	179.5	61.5	-93.8	0	0	0	112.7	R489 R517 S521 C522	R489-W491 PolarHBondContact O-N 2.88Å; W491-R517 WeakPolarHBondContact O-CG 3.24Å; W491-S521 WeakPolarHBondContact O-CB 3.13Å; W491-S521 PolarHBondContact O-OG 3.38Å; W491-C522 VanDerWaalsContact CB-O 3.24Å; W491-C522 WeakPolarHBondContact CB-O 3.42Å
492	D	98.1	Very high	96.6	Very high	63 Å²	63	41.2 Å²	41.2	34%	0.337	20%	0.199	S	C	.	.			trans	-83.7	136.3	171	-179.7	-96	0	0	0	111.1	I490 D494 E495 L496	I490-D492 WeakPolarHBondContact CG2-O 3.26Å; D492-D494 PolarHBondContact OD1-N 3.31Å; D492-E495 HydrophobicContact CB-CB 4.04Å; D492-E495 PolarHBondContact OD1-N 3.47Å; D492-L496 WeakPolarHBondContact O-CB 3.5Å; D492-L496 PolarHBondContact O-N 3.19Å; D492-L496 VanDerWaalsContact O-N 3.16Å
493	S	97.7	Very high	96.4	Very high	29 Å²	29	43.4 Å²	43.4	20%	0.203	21%	0.21	C	C	.	.	H	α-helix	trans	-69.1	-41.6	-175.3	-177.2	0	0	0	0	112.5	L497	S493-L497 WeakPolarHBondContact O-CG 3.01Å; S493-L497 PolarHBondContact O-N 3.03Å; S493-L497 VanDerWaalsContact O-N 3.16Å
494	D	97.5	Very high	96.2	Very high	122 Å²	122	46.6 Å²	46.6	65%	0.652	24%	0.243	S	C	*	.	H	α-helix	trans	-73.8	-40.3	-175.5	-69	-21.3	0	0	0	110.3	D492 L496 L497 E498	D492-D494 PolarHBondContact OD1-N 3.31Å; D494-L496 VanDerWaalsContact C-N 3.32Å; D494-L496 PolarHBondContact O-N 2.93Å; D494-L497 PolarHBondContact O-N 3.23Å; D494-E498 PolarHBondContact O-N 3.02Å
495	E	96.5	Very high	96	Very high	40 Å²	40	47.8 Å²	47.8	19%	0.187	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-40.3	174.8	-174.3	162.6	-178.2	0	0	112	R462 R467 I490 D492 E498 G499	R462-E495 WeakPolarHBondContact CG-OE1 3.37Å; R467-E495 IonicContact CZ-OE1 3.96Å; R467-E495 IonicContact CZ-OE2 2.66Å; R467-E495 IonicContact NH2-OE1 3.37Å; R467-E495 PolarHBondContact NH2-OE1 3.26Å; R467-E495 IonicContact NH2-OE2 2.68Å; R467-E495 PolarHBondContact NH2-OE2 2.64Å; I490-E495 HydrophobicContact CD1-CG 4.24Å; I490-E495 HydrophobicContact CG1-CG 4.41Å; I490-E495 HydrophobicContact CG2-CB 3.83Å; I490-E495 HydrophobicContact CG2-CG 3.83Å; D492-E495 HydrophobicContact CB-CB 4.04Å; D492-E495 PolarHBondContact OD1-N 3.47Å; E495-E498 PolarHBondContact O-N 3.01Å; E495-G499 PolarHBondContact O-N 2.7Å
496	L	97.1	Very high	95.8	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-65.7	-43.5	177.6	179.2	60.6	0	0	0	111.5	F458 I490 D492 D494 E498 G499 Y500 Y513 T514 R517	F458-L496 HydrophobicContact CD2-CD1 4.35Å; F458-L496 HydrophobicContact CE2-CD1 4.11Å; I490-L496 HydrophobicContact CG2-CB 3.86Å; D492-L496 WeakPolarHBondContact O-CB 3.5Å; D492-L496 PolarHBondContact O-N 3.19Å; D492-L496 VanDerWaalsContact O-N 3.16Å; D494-L496 VanDerWaalsContact C-N 3.32Å; D494-L496 PolarHBondContact O-N 2.93Å; L496-E498 VanDerWaalsContact C-N 3.33Å; L496-E498 PolarHBondContact O-N 3.23Å; L496-G499 WeakPolarHBondContact O-CA 3.39Å; L496-G499 PolarHBondContact O-N 3.43Å; L496-G499 VanDerWaalsContact O-N 3.08Å; L496-Y500 HydrophobicContact CD1-CD2 4.33Å; L496-Y500 HydrophobicContact CD1-CE2 3.97Å; L496-Y500 HydrophobicContact CD2-CE2 4.36Å; L496-Y500 HydrophobicContact CG-CD2 4.18Å; L496-Y500 HydrophobicContact CG-CE2 3.92Å; L496-Y500 WeakPolarHBondContact O-CD2 3.39Å; L496-Y500 PolarHBondContact O-N 3.33Å; L496-Y513 HydrophobicContact CD1-CE1 3.96Å; L496-Y513 HydrophobicContact CD2-CD1 4.1Å; L496-Y513 HydrophobicContact CD2-CE1 3.89Å; L496-T514 HydrophobicContact CD2-CG2 4.21Å; L496-R517 HydrophobicContact CD2-CG 4.02Å
497	L	97.1	Very high	95.7	Very high	71 Å²	71	53.2 Å²	53.2	37%	0.372	27%	0.274	S	S	.	.	H	α-helix	trans	-65.3	-35.8	178.1	-70.4	175.3	0	0	0	112.4	S493 D494 G499 Y500 K501 P507 T514	S493-L497 WeakPolarHBondContact O-CG 3.01Å; S493-L497 PolarHBondContact O-N 3.03Å; S493-L497 VanDerWaalsContact O-N 3.16Å; D494-L497 PolarHBondContact O-N 3.23Å; L497-G499 VanDerWaalsContact C-N 3.29Å; L497-Y500 PolarHBondContact O-N 3.39Å; L497-K501 PolarHBondContact O-N 3.2Å; L497-K501 VanDerWaalsContact O-N 3.07Å; L497-P507 HydrophobicContact CD2-CB 4.27Å; L497-T514 HydrophobicContact CD2-CG2 4.38Å
498	E	95.1	Very high	95.5	Very high	99 Å²	99	58 Å²	58	46%	0.463	30%	0.304	S	S	.	.	H	α-helix	trans	-67.5	-32.3	171.7	-168.5	60.3	-146.3	0	0	111.4	D494 E495 L496 K501 R502	D494-E498 PolarHBondContact O-N 3.02Å; E495-E498 PolarHBondContact O-N 3.01Å; L496-E498 VanDerWaalsContact C-N 3.33Å; L496-E498 PolarHBondContact O-N 3.23Å; E498-K501 PolarHBondContact O-N 3.37Å; E498-K501 IonicContact OE1-NZ 2.69Å; E498-K501 IonicContact OE2-NZ 3.9Å; E498-K501 PolarHBondContact OE2-NZ 2.73Å; E498-R502 WeakPolarHBondContact O-CB 3.12Å; E498-R502 PolarHBondContact O-N 2.87Å
499	G	93.4	Very high	95.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-57.6	-51.1	169.2	0	0	0	0	0	113	E495 L496 L497 K501 R502 E503	E495-G499 PolarHBondContact O-N 2.7Å; L496-G499 WeakPolarHBondContact O-CA 3.39Å; L496-G499 PolarHBondContact O-N 3.43Å; L496-G499 VanDerWaalsContact O-N 3.08Å; L497-G499 VanDerWaalsContact C-N 3.29Å; G499-K501 VanDerWaalsContact C-N 3.33Å; G499-K501 PolarHBondContact O-N 2.93Å; G499-R502 PolarHBondContact O-N 3.2Å; G499-E503 PolarHBondContact O-N 3.09Å
500	Y	94.4	Very high	95.3	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-55.7	-47.8	174.8	-84.8	-77.1	0	0	0	112.2	F458 L496 L497 R502 E503 G504 I505 P507 Y510 Y513 T514	F458-Y500 HydrophobicContact CE2-CD1 4.34Å; F458-Y500 HydrophobicContact CE2-CD2 4.25Å; F458-Y500 AromaticContact CE2-CE1 3.92Å; F458-Y500 HydrophobicContact CE2-CE1 3.92Å; F458-Y500 AromaticContact CE2-CE2 3.83Å; F458-Y500 HydrophobicContact CE2-CE2 3.83Å; F458-Y500 HydrophobicContact CE2-CG 4.47Å; F458-Y500 AromaticContact CE2-CZ 3.62Å; F458-Y500 HydrophobicContact CZ-CE1 4.07Å; F458-Y500 AromaticContact CZ-CZ 3.96Å; L496-Y500 HydrophobicContact CD1-CD2 4.33Å; L496-Y500 HydrophobicContact CD1-CE2 3.97Å; L496-Y500 HydrophobicContact CD2-CE2 4.36Å; L496-Y500 HydrophobicContact CG-CD2 4.18Å; L496-Y500 HydrophobicContact CG-CE2 3.92Å; L496-Y500 WeakPolarHBondContact O-CD2 3.39Å; L496-Y500 PolarHBondContact O-N 3.33Å; L497-Y500 PolarHBondContact O-N 3.39Å; Y500-R502 PolarHBondContact O-N 3.39Å; Y500-E503 PolarHBondContact O-N 2.92Å; Y500-G504 PolarHBondContact O-N 2.81Å; Y500-G504 VanDerWaalsContact O-N 3.11Å; Y500-I505 HydrophobicContact CD1-CB 3.8Å; Y500-I505 HydrophobicContact CD1-CG2 3.64Å; Y500-I505 HydrophobicContact CE1-CB 4.41Å; Y500-I505 HydrophobicContact CE1-CG2 3.8Å; Y500-I505 PolarHBondContact O-N 3.12Å; Y500-P507 HydrophobicContact CD1-CB 3.96Å; Y500-P507 HydrophobicContact CD2-CB 4.03Å; Y500-P507 HydrophobicContact CE1-CB 4.38Å; Y500-P507 HydrophobicContact CE2-CB 4.42Å; Y500-P507 HydrophobicContact CG-CB 3.8Å; Y500-Y510 HydrophobicContact CE1-CD1 4.14Å; Y500-Y510 AromaticContact CE1-CD2 3.59Å; Y500-Y510 HydrophobicContact CE1-CD2 3.59Å; Y500-Y510 HydrophobicContact CE1-CE1 4.4Å; Y500-Y510 AromaticContact CE1-CE2 3.93Å; Y500-Y510 HydrophobicContact CE1-CE2 3.93Å; Y500-Y510 AromaticContact CE1-CG 3.71Å; Y500-Y510 HydrophobicContact CE1-CG 3.71Å; Y500-Y510 AromaticContact CZ-CD1 3.99Å; Y500-Y510 AromaticContact CZ-CG 3.71Å; Y500-Y510 WeakPolarHBondContact OH-CB 3.35Å; Y500-Y510 WeakPolarHBondContact OH-CD1 3.23Å; Y500-Y513 HydrophobicContact CE2-CD1 4.48Å; Y500-Y513 VanDerWaalsContact OH-CD1 3.31Å; Y500-Y513 WeakPolarHBondContact OH-CD1 3.38Å; Y500-T514 HydrophobicContact CE2-CG2 3.9Å
501	K	94.9	Very high	95.2	Very high	144 Å²	144	67.6 Å²	67.6	63%	0.626	35%	0.348	S	S	*	.	H	α-helix	trans	-63.2	-40.5	-179.3	-176.9	-177.7	164.7	-153.5	0	112.4	L497 E498 G499 G504	L497-K501 PolarHBondContact O-N 3.2Å; L497-K501 VanDerWaalsContact O-N 3.07Å; E498-K501 PolarHBondContact O-N 3.37Å; E498-K501 IonicContact OE1-NZ 2.69Å; E498-K501 IonicContact OE2-NZ 3.9Å; E498-K501 PolarHBondContact OE2-NZ 2.73Å; G499-K501 VanDerWaalsContact C-N 3.33Å; G499-K501 PolarHBondContact O-N 2.93Å; K501-G504 PolarHBondContact O-N 2.7Å
502	R	91.3	Very high	95.2	Very high	105 Å²	105	65.1 Å²	65.1	40%	0.396	34%	0.339	S	S	.	.	H	α-helix	trans	-61.6	-44.3	178	-178	-174.5	64.6	-115.4	-2.2	112.1	E498 G499 Y500 G504	E498-R502 WeakPolarHBondContact O-CB 3.12Å; E498-R502 PolarHBondContact O-N 2.87Å; G499-R502 PolarHBondContact O-N 3.2Å; Y500-R502 PolarHBondContact O-N 3.39Å; R502-G504 VanDerWaalsContact C-N 3.25Å; R502-G504 PolarHBondContact O-N 3.12Å
503	E	90.6	Very high	95.2	Very high	94 Å²	94	62.1 Å²	62.1	44%	0.439	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-3.4	178.9	-57.4	-46.7	136.6	0	0	113.6	F458 G499 Y500 I505	F458-E503 HydrophobicContact CB-CG 3.49Å; F458-E503 VanDerWaalsContact CB-CG 3.49Å; F458-E503 HydrophobicContact CG-CG 4.25Å; G499-E503 PolarHBondContact O-N 3.09Å; Y500-E503 PolarHBondContact O-N 2.92Å; E503-I505 VanDerWaalsContact C-N 3.3Å; E503-I505 HydrophobicContact CB-CD1 3.67Å; E503-I505 HydrophobicContact CB-CG1 3.76Å; E503-I505 HydrophobicContact CG-CD1 4.31Å; E503-I505 PolarHBondContact O-N 3.34Å
504	G	92.5	Very high	95.2	Very high	69 Å²	69	61.3 Å²	61.3	71%	0.711	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	30.8	-176	0	0	0	0	0	113.6	Y500 K501 R502	Y500-G504 PolarHBondContact O-N 2.81Å; Y500-G504 VanDerWaalsContact O-N 3.11Å; K501-G504 PolarHBondContact O-N 2.7Å; R502-G504 VanDerWaalsContact C-N 3.25Å; R502-G504 PolarHBondContact O-N 3.12Å
505	I	91.6	Very high	95.3	Very high	25 Å²	25	57.8 Å²	57.8	13%	0.128	30%	0.298	C	S	.	.			trans	-96.1	130.4	179.9	-58.5	172.1	0	0	0	109	F458 Y500 E503 P507 Y510	F458-I505 HydrophobicContact CD1-CD1 4.09Å; F458-I505 HydrophobicContact CE1-CD1 4.15Å; Y500-I505 HydrophobicContact CD1-CB 3.8Å; Y500-I505 HydrophobicContact CD1-CG2 3.64Å; Y500-I505 HydrophobicContact CE1-CB 4.41Å; Y500-I505 HydrophobicContact CE1-CG2 3.8Å; Y500-I505 PolarHBondContact O-N 3.12Å; E503-I505 VanDerWaalsContact C-N 3.3Å; E503-I505 HydrophobicContact CB-CD1 3.67Å; E503-I505 HydrophobicContact CB-CG1 3.76Å; E503-I505 HydrophobicContact CG-CD1 4.31Å; E503-I505 PolarHBondContact O-N 3.34Å; I505-P507 VanDerWaalsContact O-CD 3.29Å; I505-P507 WeakPolarHBondContact O-CD 3.39Å; I505-Y510 HydrophobicContact CG2-CD2 4.47Å; I505-Y510 HydrophobicContact CG2-CE2 3.72Å
506	D	93.6	Very high	95.4	Very high	94 Å²	94	57.9 Å²	57.9	50%	0.503	30%	0.298	S	S	.	.			trans	-67.3	117.8	171.6	178	12.4	0	0	0	109.9	T508 P509 Y510	D506-T508 PolarHBondContact O-N 3.08Å; D506-T508 WeakPolarHBondContact OD1-CB 3.19Å; D506-T508 PolarHBondContact OD1-N 3.31Å; D506-T508 PolarHBondContact OD1-OG1 3.18Å; D506-P509 VanDerWaalsContact O-CD 3.3Å; D506-P509 WeakPolarHBondContact O-CD 3.43Å; D506-Y510 WeakPolarHBondContact O-CD2 3.35Å
507	P	95.4	Very high	95.4	Very high	45 Å²	45	58.5 Å²	58.5	29%	0.292	30%	0.301	S	S	.	.	S	Bend	trans	-75	-11.7	178.9	31.3	-35.8	0	0	0	113.2	L497 Y500 I505 Y510	L497-P507 HydrophobicContact CD2-CB 4.27Å; Y500-P507 HydrophobicContact CD1-CB 3.96Å; Y500-P507 HydrophobicContact CD2-CB 4.03Å; Y500-P507 HydrophobicContact CE1-CB 4.38Å; Y500-P507 HydrophobicContact CE2-CB 4.42Å; Y500-P507 HydrophobicContact CG-CB 3.8Å; I505-P507 VanDerWaalsContact O-CD 3.29Å; I505-P507 WeakPolarHBondContact O-CD 3.39Å; P507-Y510 CarbonylContact O-C 3.58Å; P507-Y510 WeakPolarHBondContact O-CA 3.42Å; P507-Y510 WeakPolarHBondContact O-CB 3.37Å; P507-Y510 PolarHBondContact O-N 3.08Å
508	T	96.1	Very high	95.5	Very high	100 Å²	100	60.8 Å²	60.8	61%	0.613	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-57.2	-46.2	-173.6	-51.4	0	0	0	0	113.3	D506 Y510 Y511	D506-T508 PolarHBondContact O-N 3.08Å; D506-T508 WeakPolarHBondContact OD1-CB 3.19Å; D506-T508 PolarHBondContact OD1-N 3.31Å; D506-T508 PolarHBondContact OD1-OG1 3.18Å; T508-Y510 PolarHBondContact O-N 2.8Å; T508-Y511 PolarHBondContact O-N 2.98Å
509	P	95.1	Very high	95.6	Very high	59 Å²	59	64.7 Å²	64.7	38%	0.383	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-67.9	-15	176.3	-19.6	34.8	0	0	0	113.8	T287 D506 W512	T287-P509 HydrophobicContact CG2-CB 4.09Å; D506-P509 VanDerWaalsContact O-CD 3.3Å; D506-P509 WeakPolarHBondContact O-CD 3.43Å; P509-W512 PolarHBondContact O-NE1 2.79Å
510	Y	96.8	Very high	95.8	Very high	8 Å²	8	67.8 Å²	67.8	3%	0.031	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-97.8	20.9	-179.3	-62.5	-98.3	0	0	0	112.4	T287 Q288 L313 Y500 I505 D506 P507 T508 W512 Y513 T514	T287-Y510 HydrophobicContact CG2-CD1 4.01Å; T287-Y510 HydrophobicContact CG2-CD2 4.23Å; T287-Y510 HydrophobicContact CG2-CE1 3.81Å; T287-Y510 HydrophobicContact CG2-CE2 3.99Å; T287-Y510 HydrophobicContact CG2-CG 4.23Å; Q288-Y510 VanDerWaalsContact CG-OH 3.23Å; Q288-Y510 WeakPolarHBondContact CG-OH 3.34Å; Q288-Y510 PolarHBondContact N-OH 3.36Å; Q288-Y510 WeakPolarHBondContact O-CE1 3.14Å; Q288-Y510 PolarHBondContact O-OH 3.35Å; L313-Y510 HydrophobicContact CD1-CD1 4.1Å; L313-Y510 HydrophobicContact CD1-CE1 3.81Å; Y500-Y510 HydrophobicContact CE1-CD1 4.14Å; Y500-Y510 AromaticContact CE1-CD2 3.59Å; Y500-Y510 HydrophobicContact CE1-CD2 3.59Å; Y500-Y510 HydrophobicContact CE1-CE1 4.4Å; Y500-Y510 AromaticContact CE1-CE2 3.93Å; Y500-Y510 HydrophobicContact CE1-CE2 3.93Å; Y500-Y510 AromaticContact CE1-CG 3.71Å; Y500-Y510 HydrophobicContact CE1-CG 3.71Å; Y500-Y510 AromaticContact CZ-CD1 3.99Å; Y500-Y510 AromaticContact CZ-CG 3.71Å; Y500-Y510 WeakPolarHBondContact OH-CB 3.35Å; Y500-Y510 WeakPolarHBondContact OH-CD1 3.23Å; I505-Y510 HydrophobicContact CG2-CD2 4.47Å; I505-Y510 HydrophobicContact CG2-CE2 3.72Å; D506-Y510 WeakPolarHBondContact O-CD2 3.35Å; P507-Y510 CarbonylContact O-C 3.58Å; P507-Y510 WeakPolarHBondContact O-CA 3.42Å; P507-Y510 WeakPolarHBondContact O-CB 3.37Å; P507-Y510 PolarHBondContact O-N 3.08Å; T508-Y510 PolarHBondContact O-N 2.8Å; Y510-W512 PolarHBondContact O-N 2.95Å; Y510-Y513 WeakPolarHBondContact O-CA 3.18Å; Y510-Y513 WeakPolarHBondContact O-CB 3.09Å; Y510-Y513 PolarHBondContact O-N 3.41Å; Y510-T514 PolarHBondContact O-N 2.89Å; Y510-T514 PolarHBondContact O-OG1 2.98Å
511	Y	97.6	Very high	96	Very high	148 Å²	148	69.7 Å²	69.7	58%	0.58	37%	0.365	S	S	*	.	H	α-helix	trans	-51.7	-42.7	-179.5	69.9	-89.2	0	0	0	112.1	T508 Y513 T514 D515	T508-Y511 PolarHBondContact O-N 2.98Å; Y511-Y513 VanDerWaalsContact C-N 3.26Å; Y511-Y513 PolarHBondContact O-N 2.86Å; Y511-T514 PolarHBondContact O-N 2.79Å; Y511-T514 PolarHBondContact O-OG1 3.35Å; Y511-T514 VanDerWaalsContact O-OG1 3.08Å; Y511-D515 VanDerWaalsContact O-CB 3.25Å; Y511-D515 WeakPolarHBondContact O-CB 3.28Å; Y511-D515 PolarHBondContact O-N 3.16Å
512	W	97.7	Very high	96.1	Very high	50 Å²	50	63.3 Å²	63.3	19%	0.189	34%	0.338	C	S	.	.	H	α-helix	trans	-65.8	-26.9	178.6	50.5	-92.4	0	0	0	113.5	T287 L313 Y314 T317 P509 Y510 Q516	T287-W512 HydrophobicContact CG2-CZ2 4.14Å; L313-W512 HydrophobicContact CB-CH2 3.7Å; L313-W512 HydrophobicContact CB-CZ3 3.76Å; L313-W512 HydrophobicContact CD1-CH2 4.16Å; Y314-W512 HydrophobicContact CD1-CH2 4.24Å; Y314-W512 HydrophobicContact CD1-CZ3 4.19Å; Y314-W512 AromaticContact CE1-CH2 3.93Å; Y314-W512 HydrophobicContact CE1-CH2 3.93Å; Y314-W512 HydrophobicContact CE1-CZ2 4.24Å; Y314-W512 HydrophobicContact CE1-CZ3 4.27Å; T317-W512 HydrophobicContact CG2-CE3 3.71Å; T317-W512 HydrophobicContact CG2-CZ3 4.09Å; P509-W512 PolarHBondContact O-NE1 2.79Å; Y510-W512 PolarHBondContact O-N 2.95Å; W512-Q516 PolarHBondContact O-NE2 3.48Å
513	Y	97.8	Very high	96.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-82	-44.9	176	-175.8	-112.9	0	0	0	111.7	L313 E316 L496 Y500 Y510 Y511 D515 Q516 R517	L313-Y513 HydrophobicContact CB-CD2 4.01Å; L313-Y513 HydrophobicContact CB-CE2 4.2Å; L313-Y513 HydrophobicContact CD2-CD2 3.92Å; L313-Y513 HydrophobicContact CD2-CE1 4.08Å; L313-Y513 HydrophobicContact CD2-CE2 3.44Å; L313-Y513 VanDerWaalsContact CD2-CE2 3.44Å; L313-Y513 HydrophobicContact CD2-CG 4.43Å; L313-Y513 HydrophobicContact CG-CD2 4.44Å; L313-Y513 HydrophobicContact CG-CE2 4.36Å; E316-Y513 HydrophobicContact CB-CE2 4.15Å; E316-Y513 VanDerWaalsContact CD-CE2 3.41Å; E316-Y513 HydrophobicContact CG-CE2 4.38Å; E316-Y513 WeakPolarHBondContact OE1-CE2 3.43Å; E316-Y513 PolarHBondContact OE1-OH 2.96Å; E316-Y513 VanDerWaalsContact OE1-OH 3.1Å; E316-Y513 WeakPolarHBondContact OE2-CE2 3.25Å; E316-Y513 VanDerWaalsContact OE2-CZ 3.31Å; E316-Y513 PolarHBondContact OE2-OH 2.65Å; L496-Y513 HydrophobicContact CD1-CE1 3.96Å; L496-Y513 HydrophobicContact CD2-CD1 4.1Å; L496-Y513 HydrophobicContact CD2-CE1 3.89Å; Y500-Y513 HydrophobicContact CE2-CD1 4.48Å; Y500-Y513 VanDerWaalsContact OH-CD1 3.31Å; Y500-Y513 WeakPolarHBondContact OH-CD1 3.38Å; Y510-Y513 WeakPolarHBondContact O-CA 3.18Å; Y510-Y513 WeakPolarHBondContact O-CB 3.09Å; Y510-Y513 PolarHBondContact O-N 3.41Å; Y511-Y513 VanDerWaalsContact C-N 3.26Å; Y511-Y513 PolarHBondContact O-N 2.86Å; Y513-D515 VanDerWaalsContact C-N 3.31Å; Y513-D515 PolarHBondContact O-N 3.32Å; Y513-Q516 WeakPolarHBondContact O-CB 3.44Å; Y513-Q516 WeakPolarHBondContact O-CG 3.04Å; Y513-Q516 PolarHBondContact O-N 3.04Å; Y513-R517 PolarHBondContact OH-NH2 2.81Å
514	T	97.8	Very high	96.9	Very high	12 Å²	12	56.9 Å²	56.9	7%	0.074	32%	0.318	C	S	.	.	H	α-helix	trans	-68.6	-29.9	177.3	59.7	0	0	0	0	112.3	L496 L497 Y500 Y510 Y511 Q516 R517	L496-T514 HydrophobicContact CD2-CG2 4.21Å; L497-T514 HydrophobicContact CD2-CG2 4.38Å; Y500-T514 HydrophobicContact CE2-CG2 3.9Å; Y510-T514 PolarHBondContact O-N 2.89Å; Y510-T514 PolarHBondContact O-OG1 2.98Å; Y511-T514 PolarHBondContact O-N 2.79Å; Y511-T514 PolarHBondContact O-OG1 3.35Å; Y511-T514 VanDerWaalsContact O-OG1 3.08Å; T514-Q516 PolarHBondContact O-N 3.08Å; T514-R517 WeakPolarHBondContact O-CB 3.49Å; T514-R517 PolarHBondContact O-N 2.65Å
515	D	98.6	Very high	97.2	Very high	47 Å²	47	53.6 Å²	53.6	25%	0.251	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-64	-26.5	176.2	-81.6	-5.6	0	0	0	112.6	Y511 Y513 R517 K518 Y519	Y511-D515 VanDerWaalsContact O-CB 3.25Å; Y511-D515 WeakPolarHBondContact O-CB 3.28Å; Y511-D515 PolarHBondContact O-N 3.16Å; Y513-D515 VanDerWaalsContact C-N 3.31Å; Y513-D515 PolarHBondContact O-N 3.32Å; D515-R517 PolarHBondContact O-N 3.16Å; D515-R517 VanDerWaalsContact O-N 3.15Å; D515-K518 PolarHBondContact O-N 3.44Å; D515-K518 IonicContact OD1-NZ 3.88Å; D515-K518 PolarHBondContact OD1-NZ 2.74Å; D515-Y519 HydrophobicContact CB-CD2 4.01Å; D515-Y519 HydrophobicContact CB-CE2 4.17Å; D515-Y519 WeakPolarHBondContact O-CD2 3.44Å; D515-Y519 PolarHBondContact O-N 3Å
516	Q	98.4	Very high	97.5	Very high	43 Å²	43	52.4 Å²	52.4	20%	0.201	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-58.2	-29	172.1	-52.8	-53	-48.2	0	0	111.9	T317 W512 Y513 T514 K518 S521	T317-Q516 HydrophobicContact CG2-CG 4.25Å; W512-Q516 PolarHBondContact O-NE2 3.48Å; Y513-Q516 WeakPolarHBondContact O-CB 3.44Å; Y513-Q516 WeakPolarHBondContact O-CG 3.04Å; Y513-Q516 PolarHBondContact O-N 3.04Å; T514-Q516 PolarHBondContact O-N 3.08Å; Q516-K518 VanDerWaalsContact C-N 3.34Å; Q516-S521 WeakPolarHBondContact O-CA 3.25Å
517	R	98.4	Very high	97.8	Very high	13 Å²	13	48.2 Å²	48.2	5%	0.049	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-85.6	-10.1	-179.6	-77.3	62.8	-175.6	170.1	5.4	112.7	E316 I490 W491 L496 Y513 T514 D515 H524	E316-R517 IonicContact OE2-CZ 3.37Å; E316-R517 IonicContact OE2-NH1 3.43Å; E316-R517 PolarHBondContact OE2-NH1 3.49Å; E316-R517 IonicContact OE2-NH2 2.93Å; E316-R517 PolarHBondContact OE2-NH2 3.22Å; I490-R517 PolarHBondContact O-NE 2.98Å; I490-R517 PolarHBondContact O-NH2 2.81Å; W491-R517 WeakPolarHBondContact O-CG 3.24Å; L496-R517 HydrophobicContact CD2-CG 4.02Å; Y513-R517 PolarHBondContact OH-NH2 2.81Å; T514-R517 WeakPolarHBondContact O-CB 3.49Å; T514-R517 PolarHBondContact O-N 2.65Å; D515-R517 PolarHBondContact O-N 3.16Å; D515-R517 VanDerWaalsContact O-N 3.15Å; R517-H524 PolarHBondContact NH2-CE1 3.17Å; R517-H524 PolarHBondContact NH2-NE2 2.8Å
518	K	97.9	Very high	97.9	Very high	119 Å²	119	46.7 Å²	46.7	52%	0.517	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-43.2	178.2	-58.9	176.6	-162.4	149	0	111.9	D515 Q516 G520	D515-K518 PolarHBondContact O-N 3.44Å; D515-K518 IonicContact OD1-NZ 3.88Å; D515-K518 PolarHBondContact OD1-NZ 2.74Å; Q516-K518 VanDerWaalsContact C-N 3.34Å; K518-G520 PolarHBondContact O-N 3.38Å
519	Y	98.1	Very high	98	Very high	181 Å²	181	42 Å²	42	71%	0.71	22%	0.219	S	C	*	.	S	Bend	trans	-99.3	71.1	-171.5	-63.8	-79.1	0	0	0	111.9	D515	D515-Y519 HydrophobicContact CB-CD2 4.01Å; D515-Y519 HydrophobicContact CB-CE2 4.17Å; D515-Y519 WeakPolarHBondContact O-CD2 3.44Å; D515-Y519 PolarHBondContact O-N 3Å
520	G	97.1	Very high	98.1	Very high	65 Å²	65	39.6 Å²	39.6	67%	0.67	21%	0.205	S	C	*	.	S	Bend	trans	79.1	49	176	0	0	0	0	0	113.6	K518	K518-G520 PolarHBondContact O-N 3.38Å
521	S	98.3	Very high	98.2	Very high	42 Å²	42	39.3 Å²	39.3	29%	0.294	20%	0.204	S	C	.	.			trans	-57.5	151.9	175.9	-161.5	0	0	0	0	112.6	W491 Q516	W491-S521 WeakPolarHBondContact O-CB 3.13Å; W491-S521 PolarHBondContact O-OG 3.38Å; Q516-S521 WeakPolarHBondContact O-CA 3.25Å
522	C	98.6	Very high	98.2	Very high	11 Å²	11	32.6 Å²	32.6	7%	0.074	18%	0.178	C	C	.	.			trans	-143.6	154.6	175.4	63.6	0	0	0	0	111.3	F355 W491 H524	F355-C522 HydrophobicContact CD1-CB 3.67Å; F355-C522 HydrophobicContact CE1-CB 3.35Å; F355-C522 HydrophobicContact CZ-CB 4.07Å; W491-C522 VanDerWaalsContact CB-O 3.24Å; W491-C522 WeakPolarHBondContact CB-O 3.42Å; C522-H524 PolarHBondContact O-N 2.8Å; C522-H524 PolarHBondContact O-ND1 2.98Å
523	P	98.6	Very high	98.1	Very high	59 Å²	59	31 Å²	31	38%	0.383	17%	0.172	S	C	.	.			trans	-58	126.7	162.1	-22	33.7	0	0	0	110	F355 I356	F355-P523 VanDerWaalsContact CA-O 3.27Å; F355-P523 WeakPolarHBondContact CA-O 3.23Å; F355-P523 PolarHBondContact N-O 3.49Å; I356-P523 PolarHBondContact N-O 3.02Å
524	H	98.9	Very high	98.1	Very high	5 Å²	5	31 Å²	31	2%	0.023	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	160.9	-178.9	61.8	-74.9	0	0	0	109.9	E316 I319 E352 C353 M488 R489 R517 C522	E316-H524 IonicContact OE2-NE2 3.53Å; E316-H524 PolarHBondContact OE2-NE2 3.36Å; E316-H524 VanDerWaalsContact OE2-NE2 3.1Å; I319-H524 HydrophobicContact CD1-CB 3.58Å; E352-H524 IonicContact OE1-CD2 3.27Å; E352-H524 PolarHBondContact OE1-CD2 2.77Å; C353-H524 WeakPolarHBondContact O-CA 2.87Å; C353-H524 VanDerWaalsContact O-CB 3.25Å; C353-H524 WeakPolarHBondContact O-CB 3.48Å; M488-H524 VanDerWaalsContact CE-O 3.22Å; M488-H524 WeakPolarHBondContact CE-O 3.47Å; R489-H524 WeakPolarHBondContact CB-NE2 3.35Å; R489-H524 VanDerWaalsContact CG-CD2 3.43Å; R489-H524 WeakPolarHBondContact CG-CD2 3.42Å; R489-H524 WeakPolarHBondContact CG-NE2 3.37Å; R489-H524 PolarHBondContact N-O 2.95Å; R517-H524 PolarHBondContact NH2-CE1 3.17Å; R517-H524 PolarHBondContact NH2-NE2 2.8Å; C522-H524 PolarHBondContact O-N 2.8Å; C522-H524 PolarHBondContact O-ND1 2.98Å
525	G	98.8	Very high	98.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	163.9	179	0	0	0	0	0	111.4	E352 C353 S487	E352-G525 WeakPolarHBondContact OE1-CA 3.28Å; C353-G525 PolarHBondContact N-O 3.39Å; C353-G525 PolarHBondContact O-N 2.98Å; S487-G525 VanDerWaalsContact O-CA 3.32Å; S487-G525 WeakPolarHBondContact O-CA 3.47Å
526	G	98.7	Very high	98.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	-179.1	-177.4	0	0	0	0	0	112.4	A351 E352 G486 S487 R489	A351-G526 CarbonylContact O-C 3.55Å; A351-G526 WeakPolarHBondContact O-CA 3.5Å; E352-G526 PolarHBondContact OE1-N 2.96Å; E352-G526 WeakPolarHBondContact OE2-CA 3.34Å; G486-G526 CarbonylContact C-O 3.5Å; G486-G526 WeakPolarHBondContact CA-O 3.12Å; S487-G526 PolarHBondContact N-O 2.66Å; S487-G526 PolarHBondContact O-N 2.81Å; R489-G526 VanDerWaalsContact NH2-CA 3.35Å; R489-G526 PolarHBondContact NH2-O 2.68Å
527	Y	98.8	Very high	98	Very high	5 Å²	5	27.8 Å²	27.8	2%	0.02	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	155.8	-173.4	50.5	-98.9	0	0	0	111.6	F271 E350 A351 L361 L365 L368 V484 G485	F271-Y527 HydrophobicContact CZ-CE2 4.36Å; E350-Y527 VanDerWaalsContact CA-O 3.3Å; E350-Y527 WeakPolarHBondContact CA-O 3.44Å; A351-Y527 HydrophobicContact CB-CD2 4.35Å; A351-Y527 HydrophobicContact CB-CE1 4.38Å; A351-Y527 HydrophobicContact CB-CE2 3.67Å; A351-Y527 PolarHBondContact N-O 3.34Å; A351-Y527 PolarHBondContact O-N 2.99Å; L361-Y527 HydrophobicContact CD1-CD1 3.75Å; L361-Y527 HydrophobicContact CD1-CE1 4.36Å; L365-Y527 HydrophobicContact CD2-CD1 3.59Å; L365-Y527 HydrophobicContact CD2-CD2 3.97Å; L365-Y527 HydrophobicContact CD2-CE1 4.15Å; L365-Y527 HydrophobicContact CD2-CE2 4.5Å; L365-Y527 HydrophobicContact CD2-CG 3.48Å; L365-Y527 VanDerWaalsContact CD2-CG 3.48Å; L365-Y527 HydrophobicContact CG-CD1 4.15Å; L365-Y527 HydrophobicContact CG-CG 4.47Å; L368-Y527 HydrophobicContact CD2-CD2 4.15Å; L368-Y527 HydrophobicContact CD2-CE2 3.45Å; L368-Y527 VanDerWaalsContact CD2-CE2 3.45Å; V484-Y527 HydrophobicContact CG1-CD2 4.37Å; V484-Y527 HydrophobicContact CG1-CG 4.43Å; G485-Y527 CarbonylContact O-C 3.44Å; G485-Y527 VanDerWaalsContact O-CA 3.29Å; G485-Y527 WeakPolarHBondContact O-CA 3.24Å
528	G	98.3	Very high	97.9	Very high	13 Å²	13	27.1 Å²	27.1	13%	0.134	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.8	173.1	0	0	0	0	0	110.9	H348 I349 V484 G485	H348-G528 VanDerWaalsContact NE2-CA 3.32Å; H348-G528 WeakPolarHBondContact NE2-CA 3.23Å; I349-G528 CarbonylContact O-C 3.5Å; I349-G528 WeakPolarHBondContact O-CA 3.33Å; V484-G528 WeakPolarHBondContact CA-O 3.26Å; V484-G528 WeakPolarHBondContact CG1-O 3.37Å; G485-G528 PolarHBondContact N-O 3.04Å; G485-G528 PolarHBondContact O-N 3.19Å
529	L	97.5	Very high	97.9	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.9	178.2	174.3	156.3	0	0	0	109.5	F267 H348 I349 V484 L531 F534	F267-L529 HydrophobicContact CE1-CD1 3.85Å; F267-L529 HydrophobicContact CE1-CD2 4.35Å; F267-L529 HydrophobicContact CE2-CD2 4.43Å; F267-L529 HydrophobicContact CZ-CD1 3.7Å; F267-L529 HydrophobicContact CZ-CD2 3.88Å; H348-L529 PolarHBondContact CD2-O 3.07Å; I349-L529 HydrophobicContact CB-CB 4.35Å; I349-L529 HydrophobicContact CB-CD2 4.2Å; I349-L529 HydrophobicContact CD1-CD2 4.08Å; I349-L529 HydrophobicContact CG1-CD2 4.26Å; I349-L529 PolarHBondContact N-O 2.93Å; I349-L529 PolarHBondContact O-N 2.83Å; V484-L529 HydrophobicContact CG1-CB 4.32Å; V484-L529 HydrophobicContact CG2-CB 3.92Å; V484-L529 HydrophobicContact CG2-CD1 3.61Å; V484-L529 HydrophobicContact CG2-CG 3.92Å; L529-L531 PolarHBondContact O-N 3.43Å; L529-F534 HydrophobicContact CD1-CB 4.49Å; L529-F534 HydrophobicContact CD1-CD2 3.86Å; L529-F534 HydrophobicContact CD1-CE2 4.48Å; L529-F534 HydrophobicContact CD1-CG 4.43Å; L529-F534 HydrophobicContact CD2-CB 3.97Å; L529-F534 HydrophobicContact CD2-CG 4.47Å; L529-F534 HydrophobicContact CG-CB 4.47Å
530	G	97.1	Very high	97.8	Very high	10 Å²	10	16.5 Å²	16.5	10%	0.103	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	109.4	170.9	0	0	0	0	0	110.6	I483 E532 R533 F534	I483-G530 PolarHBondContact O-N 2.77Å; G530-E532 VanDerWaalsContact C-N 3.26Å; G530-E532 PolarHBondContact O-N 2.57Å; G530-R533 PolarHBondContact O-N 2.92Å; G530-F534 PolarHBondContact O-N 2.81Å
531	L	98.5	Very high	97.7	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-58.2	-40.4	-175.5	175.5	60.3	0	0	0	111.7	V263 F267 T347 I349 L529 F534 L535	V263-L531 HydrophobicContact CG1-CD1 4.01Å; F267-L531 HydrophobicContact CD2-CD1 4.27Å; F267-L531 HydrophobicContact CE2-CD1 4.03Å; T347-L531 HydrophobicContact CG2-CB 4.17Å; T347-L531 HydrophobicContact CG2-CD2 3.73Å; T347-L531 VanDerWaalsContact O-CB 3.32Å; T347-L531 WeakPolarHBondContact O-CB 3.38Å; T347-L531 PolarHBondContact O-N 3.31Å; I349-L531 HydrophobicContact CD1-CB 4.31Å; I349-L531 HydrophobicContact CD1-CD1 4.11Å; I349-L531 HydrophobicContact CG1-CB 4.42Å; L529-L531 PolarHBondContact O-N 3.43Å; L531-F534 PolarHBondContact O-N 2.76Å; L531-L535 HydrophobicContact CD1-CD1 4.14Å; L531-L535 HydrophobicContact CD1-CG 4.23Å; L531-L535 HydrophobicContact CG-CD1 3.94Å; L531-L535 HydrophobicContact CG-CG 4.49Å; L531-L535 WeakPolarHBondContact O-CG 3.36Å; L531-L535 PolarHBondContact O-N 2.88Å
532	E	98.1	Very high	97.3	Very high	7 Å²	7	21.8 Å²	21.8	3%	0.033	11%	0.112	C	C	.	.	H	α-helix	trans	-64	-40.1	177.5	-69.4	72.1	-158.8	0	0	112.1	R260 L343 T347 G530 L535 T536 I544 V547	R260-E532 IonicContact CZ-OE1 3Å; R260-E532 IonicContact NH1-OE1 3.1Å; R260-E532 PolarHBondContact NH1-OE1 2.91Å; R260-E532 IonicContact NH2-OE1 3.21Å; R260-E532 PolarHBondContact NH2-OE1 3.18Å; L343-E532 HydrophobicContact CD1-CB 4.12Å; L343-E532 HydrophobicContact CD1-CG 3.78Å; T347-E532 PolarHBondContact N-OE1 2.96Å; T347-E532 PolarHBondContact N-OE2 3.15Å; T347-E532 PolarHBondContact OG1-OE1 3.22Å; G530-E532 VanDerWaalsContact C-N 3.26Å; G530-E532 PolarHBondContact O-N 2.57Å; E532-L535 PolarHBondContact O-N 3.36Å; E532-T536 WeakPolarHBondContact O-CG2 3.29Å; E532-T536 PolarHBondContact O-N 2.65Å; E532-T536 PolarHBondContact O-OG1 2.89Å; E532-I544 HydrophobicContact CB-CD1 3.67Å; E532-I544 HydrophobicContact CB-CG1 3.42Å; E532-I544 VanDerWaalsContact CB-CG1 3.42Å; E532-I544 HydrophobicContact CG-CG1 4.4Å; E532-V547 HydrophobicContact CB-CG2 3.83Å; E532-V547 HydrophobicContact CG-CG2 4.12Å; E532-V547 WeakPolarHBondContact O-CG2 3.45Å
533	R	96.4	Very high	97	Very high	18 Å²	18	22.9 Å²	22.9	7%	0.068	12%	0.116	C	C	.	.	H	α-helix	trans	-63.8	-43.1	175.4	-68.6	-173	-179.6	176.5	-1	110.8	R341 E482 I483 G530 L535 T536 W537 I544	R341-R533 PolarHBondContact O-NE 2.87Å; E482-R533 WeakPolarHBondContact O-CD 3.48Å; E482-R533 IonicContact OE1-NH1 3.84Å; E482-R533 IonicContact OE2-NH1 2.82Å; E482-R533 PolarHBondContact OE2-NH1 2.94Å; I483-R533 HydrophobicContact CG2-CB 4.27Å; G530-R533 PolarHBondContact O-N 2.92Å; R533-L535 VanDerWaalsContact C-N 3.34Å; R533-L535 PolarHBondContact O-N 3.4Å; R533-T536 WeakPolarHBondContact CA-OG1 3.3Å; R533-T536 PolarHBondContact O-N 2.56Å; R533-T536 PolarHBondContact O-OG1 2.88Å; R533-W537 PolarHBondContact O-N 3.4Å; R533-W537 VanDerWaalsContact O-N 3.11Å; R533-I544 HydrophobicContact CG-CD1 3.69Å
534	F	98.2	Very high	96.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.9	-44	174.3	-174.8	-88.6	0	0	0	112.3	V263 F267 V369 V372 V373 I483 L529 G530 L531 W537 L538	V263-F534 HydrophobicContact CG1-CD1 3.96Å; V263-F534 HydrophobicContact CG1-CE1 3.84Å; F267-F534 AromaticContact CE2-CD1 3.85Å; F267-F534 HydrophobicContact CE2-CD1 3.85Å; F267-F534 AromaticContact CE2-CE1 3.86Å; F267-F534 HydrophobicContact CE2-CE1 3.86Å; F267-F534 HydrophobicContact CE2-CG 4.25Å; F267-F534 HydrophobicContact CE2-CZ 4.24Å; F267-F534 HydrophobicContact CZ-CD1 4.04Å; F267-F534 HydrophobicContact CZ-CD2 4.01Å; F267-F534 AromaticContact CZ-CE1 3.99Å; F267-F534 HydrophobicContact CZ-CE1 3.99Å; F267-F534 AromaticContact CZ-CE2 3.93Å; F267-F534 HydrophobicContact CZ-CE2 3.93Å; F267-F534 HydrophobicContact CZ-CG 4.04Å; F267-F534 AromaticContact CZ-CZ 3.92Å; F267-F534 HydrophobicContact CZ-CZ 3.92Å; V369-F534 HydrophobicContact CG1-CE2 4.28Å; V372-F534 HydrophobicContact CG1-CE1 4.35Å; V372-F534 HydrophobicContact CG1-CZ 4.11Å; V373-F534 HydrophobicContact CG2-CZ 4.14Å; I483-F534 HydrophobicContact CD1-CD2 4.15Å; L529-F534 HydrophobicContact CD1-CB 4.49Å; L529-F534 HydrophobicContact CD1-CD2 3.86Å; L529-F534 HydrophobicContact CD1-CE2 4.48Å; L529-F534 HydrophobicContact CD1-CG 4.43Å; L529-F534 HydrophobicContact CD2-CB 3.97Å; L529-F534 HydrophobicContact CD2-CG 4.47Å; L529-F534 HydrophobicContact CG-CB 4.47Å; G530-F534 PolarHBondContact O-N 2.81Å; L531-F534 PolarHBondContact O-N 2.76Å; F534-W537 HydrophobicContact CD2-CE3 4.07Å; F534-W537 HydrophobicContact CD2-CZ3 4.08Å; F534-W537 HydrophobicContact CE1-CZ3 4.49Å; F534-W537 HydrophobicContact CE2-CE3 4.02Å; F534-W537 AromaticContact CE2-CZ3 3.55Å; F534-W537 HydrophobicContact CE2-CZ3 3.55Å; F534-W537 HydrophobicContact CG-CE3 4.48Å; F534-W537 HydrophobicContact CZ-CE3 4.35Å; F534-W537 AromaticContact CZ-CZ3 3.79Å; F534-W537 HydrophobicContact CZ-CZ3 3.79Å; F534-W537 PolarHBondContact O-N 2.95Å; F534-L538 HydrophobicContact CE1-CD2 4.23Å; F534-L538 WeakPolarHBondContact O-CB 3.4Å; F534-L538 PolarHBondContact O-N 2.9Å
535	L	98.2	Very high	96.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.3	-37.7	176.5	-72.9	164.8	0	0	0	112.8	R260 V263 L531 E532 R533 W537 L538 L539 V547	R260-L535 HydrophobicContact CB-CD1 3.72Å; R260-L535 HydrophobicContact CB-CD2 4.2Å; R260-L535 HydrophobicContact CG-CD1 3.64Å; V263-L535 HydrophobicContact CB-CD2 4.06Å; V263-L535 HydrophobicContact CG1-CD2 4.12Å; V263-L535 HydrophobicContact CG2-CD2 3.9Å; L531-L535 HydrophobicContact CD1-CD1 4.14Å; L531-L535 HydrophobicContact CD1-CG 4.23Å; L531-L535 HydrophobicContact CG-CD1 3.94Å; L531-L535 HydrophobicContact CG-CG 4.49Å; L531-L535 WeakPolarHBondContact O-CG 3.36Å; L531-L535 PolarHBondContact O-N 2.88Å; E532-L535 PolarHBondContact O-N 3.36Å; R533-L535 VanDerWaalsContact C-N 3.34Å; R533-L535 PolarHBondContact O-N 3.4Å; L535-W537 VanDerWaalsContact C-N 3.27Å; L535-W537 PolarHBondContact O-N 2.8Å; L535-L538 PolarHBondContact O-N 3.21Å; L535-L539 HydrophobicContact CD2-CD1 4.41Å; L535-L539 VanDerWaalsContact O-CB 3.28Å; L535-L539 WeakPolarHBondContact O-CB 3.38Å; L535-L539 PolarHBondContact O-N 2.91Å; L535-V547 HydrophobicContact CB-CB 3.92Å; L535-V547 HydrophobicContact CB-CG1 3.93Å; L535-V547 HydrophobicContact CB-CG2 4.08Å; L535-V547 HydrophobicContact CD1-CB 4.38Å
536	T	96.6	Very high	96.5	Very high	8 Å²	8	25.2 Å²	25.2	5%	0.049	12%	0.121	C	C	.	.	H	α-helix	trans	-61.4	-38.8	175.3	53.3	0	0	0	0	112.1	E532 R533 N540 R541 I544 V547	E532-T536 WeakPolarHBondContact O-CG2 3.29Å; E532-T536 PolarHBondContact O-N 2.65Å; E532-T536 PolarHBondContact O-OG1 2.89Å; R533-T536 WeakPolarHBondContact CA-OG1 3.3Å; R533-T536 PolarHBondContact O-N 2.56Å; R533-T536 PolarHBondContact O-OG1 2.88Å; T536-N540 CarbonylContact O-C 3.54Å; T536-N540 VanDerWaalsContact O-CA 3.27Å; T536-N540 WeakPolarHBondContact O-CA 3.5Å; T536-N540 PolarHBondContact O-N 2.81Å; T536-R541 HydrophobicContact CG2-CB 4.33Å; T536-R541 PolarHBondContact O-N 3.35Å; T536-I544 VanDerWaalsContact CG2-CA 3.48Å; T536-I544 HydrophobicContact CG2-CB 4.11Å; T536-I544 HydrophobicContact CG2-CG1 4.14Å; T536-V547 HydrophobicContact CG2-CG1 4.27Å; T536-V547 HydrophobicContact CG2-CG2 3.93Å
537	W	96.5	Very high	96.4	Very high	25 Å²	25	25.2 Å²	25.2	10%	0.095	12%	0.121	C	C	.	.	H	α-helix	trans	-66.9	-55.1	174.7	164.5	66.4	0	0	0	111	V369 V373 F392 P395 M477 V480 R533 F534 L535 L539 N540	V369-W537 HydrophobicContact CG1-CH2 4Å; V369-W537 HydrophobicContact CG1-CZ3 4.21Å; V373-W537 HydrophobicContact CG2-CH2 3.81Å; V373-W537 HydrophobicContact CG2-CZ3 3.93Å; F392-W537 HydrophobicContact CE2-CZ2 4.26Å; F392-W537 HydrophobicContact CZ-CH2 4.5Å; P395-W537 HydrophobicContact CG-CH2 4.04Å; P395-W537 HydrophobicContact CG-CZ2 4.27Å; M477-W537 HydrophobicContact CB-CD2 4.41Å; M477-W537 HydrophobicContact CB-CG 4.07Å; M477-W537 HydrophobicContact CE-CH2 3.77Å; M477-W537 HydrophobicContact CE-CZ2 3.71Å; M477-W537 HydrophobicContact CE-CZ3 4.32Å; M477-W537 HydrophobicContact CG-CD2 4.11Å; M477-W537 HydrophobicContact CG-CG 4.26Å; M477-W537 HydrophobicContact CG-CZ2 4.41Å; M477-W537 HydrophobicContact SD-CD2 4.33Å; M477-W537 HydrophobicContact SD-CH2 4.26Å; M477-W537 HydrophobicContact SD-CZ2 3.59Å; M477-W537 VanDerWaalsContact SD-CZ2 3.59Å; V480-W537 HydrophobicContact CB-CB 4.23Å; V480-W537 HydrophobicContact CG2-CB 3.61Å; R533-W537 PolarHBondContact O-N 3.4Å; R533-W537 VanDerWaalsContact O-N 3.11Å; F534-W537 HydrophobicContact CD2-CE3 4.07Å; F534-W537 HydrophobicContact CD2-CZ3 4.08Å; F534-W537 HydrophobicContact CE1-CZ3 4.49Å; F534-W537 HydrophobicContact CE2-CE3 4.02Å; F534-W537 AromaticContact CE2-CZ3 3.55Å; F534-W537 HydrophobicContact CE2-CZ3 3.55Å; F534-W537 HydrophobicContact CG-CE3 4.48Å; F534-W537 HydrophobicContact CZ-CE3 4.35Å; F534-W537 AromaticContact CZ-CZ3 3.79Å; F534-W537 HydrophobicContact CZ-CZ3 3.79Å; F534-W537 PolarHBondContact O-N 2.95Å; L535-W537 VanDerWaalsContact C-N 3.27Å; L535-W537 PolarHBondContact O-N 2.8Å; W537-L539 VanDerWaalsContact C-N 3.29Å; W537-L539 PolarHBondContact O-N 3.01Å; W537-N540 PolarHBondContact O-N 2.68Å; W537-N540 VanDerWaalsContact O-N 3.1Å
538	L	97.6	Very high	96.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-56.7	-42.5	-176.3	-171.1	72.1	0	0	0	112.4	V259 V263 V373 V376 L385 N389 F392 F534 L535	V259-L538 HydrophobicContact CG1-CD2 4.36Å; V263-L538 HydrophobicContact CG2-CD2 3.52Å; V373-L538 HydrophobicContact CG2-CD1 4.23Å; V376-L538 HydrophobicContact CG1-CD2 4.47Å; L385-L538 HydrophobicContact CD1-CD1 3.77Å; L385-L538 HydrophobicContact CD1-CD2 3.99Å; L385-L538 HydrophobicContact CD1-CG 3.69Å; N389-L538 PolarHBondContact ND2-O 3.39Å; F392-L538 HydrophobicContact CE1-CD1 4.11Å; F392-L538 HydrophobicContact CE2-CD1 3.77Å; F392-L538 HydrophobicContact CZ-CD1 3.53Å; F534-L538 HydrophobicContact CE1-CD2 4.23Å; F534-L538 WeakPolarHBondContact O-CB 3.4Å; F534-L538 PolarHBondContact O-N 2.9Å; L535-L538 PolarHBondContact O-N 3.21Å
539	L	97.4	Very high	96.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	7.1	-177.1	-63.1	174.6	0	0	0	113.2	I256 V259 L385 I388 L535 W537 R541 V547	I256-L539 HydrophobicContact CB-CD1 4.3Å; I256-L539 HydrophobicContact CG1-CD1 4.19Å; I256-L539 HydrophobicContact CG2-CD1 3.91Å; V259-L539 HydrophobicContact CB-CD1 4.31Å; V259-L539 HydrophobicContact CB-CD2 4.31Å; V259-L539 HydrophobicContact CG1-CD1 4.23Å; V259-L539 HydrophobicContact CG1-CD2 3.93Å; V259-L539 HydrophobicContact CG1-CG 4.37Å; V259-L539 HydrophobicContact CG2-CD2 4.32Å; L385-L539 HydrophobicContact CB-CD2 4.46Å; L385-L539 HydrophobicContact CG-CD2 4.3Å; I388-L539 HydrophobicContact CB-CD2 4.25Å; I388-L539 HydrophobicContact CD1-CD2 3.93Å; I388-L539 HydrophobicContact CG2-CB 4.13Å; I388-L539 HydrophobicContact CG2-CD2 4.27Å; I388-L539 WeakPolarHBondContact CG2-O 3.41Å; L535-L539 HydrophobicContact CD2-CD1 4.41Å; L535-L539 VanDerWaalsContact O-CB 3.28Å; L535-L539 WeakPolarHBondContact O-CB 3.38Å; L535-L539 PolarHBondContact O-N 2.91Å; W537-L539 VanDerWaalsContact C-N 3.29Å; W537-L539 PolarHBondContact O-N 3.01Å; L539-R541 VanDerWaalsContact C-N 3.3Å; L539-R541 HydrophobicContact CB-CG 3.87Å; L539-R541 PolarHBondContact O-N 2.92Å; L539-R541 PolarHBondContact O-NE 3.42Å; L539-R541 PolarHBondContact O-NH2 2.98Å; L539-V547 HydrophobicContact CD1-CG1 4.49Å
540	N	95.8	Very high	96.4	Very high	76 Å²	76	32.1 Å²	32.1	41%	0.406	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	51.2	-177.1	-170.9	18.3	0	0	0	112.5	N389 T536 W537	N389-N540 HydrophobicContact CB-CB 4.25Å; T536-N540 CarbonylContact O-C 3.54Å; T536-N540 VanDerWaalsContact O-CA 3.27Å; T536-N540 WeakPolarHBondContact O-CA 3.5Å; T536-N540 PolarHBondContact O-N 2.81Å; W537-N540 PolarHBondContact O-N 2.68Å; W537-N540 VanDerWaalsContact O-N 3.1Å
541	R	94.7	Very high	96.4	Very high	76 Å²	76	31.8 Å²	31.8	29%	0.287	15%	0.146	S	C	.	.			trans	-95.7	130.5	179.6	-59.4	-60.4	74.4	-173.5	-4.6	110.3	T536 L539 H543 V547	T536-R541 HydrophobicContact CG2-CB 4.33Å; T536-R541 PolarHBondContact O-N 3.35Å; L539-R541 VanDerWaalsContact C-N 3.3Å; L539-R541 HydrophobicContact CB-CG 3.87Å; L539-R541 PolarHBondContact O-N 2.92Å; L539-R541 PolarHBondContact O-NE 3.42Å; L539-R541 PolarHBondContact O-NH2 2.98Å; R541-H543 VanDerWaalsContact C-N 3.31Å; R541-H543 PolarHBondContact O-N 3.07Å; R541-V547 HydrophobicContact CB-CG1 4.26Å; R541-V547 HydrophobicContact CG-CG1 3.86Å
542	H	90.3	Very high	96.3	Very high	143 Å²	143	34.5 Å²	34.5	66%	0.662	16%	0.156	S	C	*	.	S	Bend	trans	-67.3	-30.9	-176	-176.4	-94.4	0	0	0	113.2
543	H	92.9	Very high	96.1	Very high	33 Å²	33	36.6 Å²	36.6	15%	0.153	17%	0.165	C	C	.	.	S	Bend	trans	-131.7	134.6	-177.6	-162.7	-39.5	0	0	0	112	R340 R541 R545 D546	R340-H543 PolarHBondContact O-ND1 3.42Å; R541-H543 VanDerWaalsContact C-N 3.31Å; R541-H543 PolarHBondContact O-N 3.07Å; H543-R545 HydrophobicContact CB-CG 4.18Å; H543-R545 PolarHBondContact CD2-NH1 3.4Å; H543-R545 PolarHBondContact ND1-N 3.44Å; H543-R545 PolarHBondContact NE2-NH1 3.47Å; H543-R545 PolarHBondContact O-N 2.96Å; H543-R545 VanDerWaalsContact O-N 3.1Å; H543-D546 WeakPolarHBondContact O-CB 3.26Å; H543-D546 PolarHBondContact O-N 3.31Å; H543-D546 VanDerWaalsContact O-N 3.09Å
544	I	94.4	Very high	95.8	Very high	6 Å²	6	38 Å²	38	3%	0.031	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-56.8	-26.6	-179.4	-157.7	168.9	0	0	0	115.1	R340 R341 L343 E532 R533 T536 D546 V547 C548	R340-I544 VanDerWaalsContact O-CB 3.24Å; R340-I544 WeakPolarHBondContact O-CB 3.22Å; R340-I544 WeakPolarHBondContact O-CG2 3.34Å; R340-I544 PolarHBondContact O-N 3.4Å; R341-I544 VanDerWaalsContact O-CD1 3.31Å; R341-I544 WeakPolarHBondContact O-CD1 3.29Å; L343-I544 HydrophobicContact CD1-CD1 4.02Å; L343-I544 HydrophobicContact CD1-CG1 4.02Å; L343-I544 HydrophobicContact CD1-CG2 4.32Å; L343-I544 HydrophobicContact CD2-CG2 3.98Å; L343-I544 HydrophobicContact CG-CD1 4.24Å; L343-I544 HydrophobicContact CG-CG1 4.39Å; L343-I544 HydrophobicContact CG-CG2 3.84Å; E532-I544 HydrophobicContact CB-CD1 3.67Å; E532-I544 HydrophobicContact CB-CG1 3.42Å; E532-I544 VanDerWaalsContact CB-CG1 3.42Å; E532-I544 HydrophobicContact CG-CG1 4.4Å; R533-I544 HydrophobicContact CG-CD1 3.69Å; T536-I544 VanDerWaalsContact CG2-CA 3.48Å; T536-I544 HydrophobicContact CG2-CB 4.11Å; T536-I544 HydrophobicContact CG2-CG1 4.14Å; I544-D546 PolarHBondContact O-N 3.37Å; I544-V547 HydrophobicContact CG1-CG2 4.47Å; I544-V547 WeakPolarHBondContact O-CG2 3.3Å; I544-V547 PolarHBondContact O-N 3.2Å; I544-C548 PolarHBondContact O-SG 3.26Å; I544-C548 VanDerWaalsContact O-SG 3.4Å
545	R	94.8	Very high	95.4	Very high	55 Å²	55	46 Å²	46	21%	0.208	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-65.2	-24	179.2	71.9	-169.7	175.6	-152.6	3.7	113.1	V237 R244 H543 V547 C548 P551	V237-R545 VanDerWaalsContact CG2-NH2 3.34Å; R244-R545 PolarHBondContact NH2-O 3.11Å; R244-R545 VanDerWaalsContact NH2-O 3.07Å; H543-R545 HydrophobicContact CB-CG 4.18Å; H543-R545 PolarHBondContact CD2-NH1 3.4Å; H543-R545 PolarHBondContact ND1-N 3.44Å; H543-R545 PolarHBondContact NE2-NH1 3.47Å; H543-R545 PolarHBondContact O-N 2.96Å; H543-R545 VanDerWaalsContact O-N 3.1Å; R545-V547 VanDerWaalsContact C-N 3.28Å; R545-V547 PolarHBondContact O-N 3.09Å; R545-C548 PolarHBondContact O-N 3.29Å; R545-P551 HydrophobicContact CB-CB 4Å; R545-P551 HydrophobicContact CB-CG 3.96Å
546	D	95.3	Very high	95.1	Very high	52 Å²	52	46.9 Å²	46.9	28%	0.278	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-73.8	-23.4	-175.3	-64	-22.1	0	0	0	112.2	R244 H543 I544	R244-D546 PolarHBondContact NH2-O 2.9Å; H543-D546 WeakPolarHBondContact O-CB 3.26Å; H543-D546 PolarHBondContact O-N 3.31Å; H543-D546 VanDerWaalsContact O-N 3.09Å; I544-D546 PolarHBondContact O-N 3.37Å
547	V	97.4	Very high	95.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-95.2	5.1	178.3	-58.8	0	0	0	0	113.4	I256 R260 E532 L535 T536 L539 R541 I544 R545	I256-V547 HydrophobicContact CG2-CB 4.21Å; I256-V547 HydrophobicContact CG2-CG1 3.97Å; R260-V547 WeakPolarHBondContact CD-O 3.17Å; R260-V547 PolarHBondContact NH1-O 2.84Å; E532-V547 HydrophobicContact CB-CG2 3.83Å; E532-V547 HydrophobicContact CG-CG2 4.12Å; E532-V547 WeakPolarHBondContact O-CG2 3.45Å; L535-V547 HydrophobicContact CB-CB 3.92Å; L535-V547 HydrophobicContact CB-CG1 3.93Å; L535-V547 HydrophobicContact CB-CG2 4.08Å; L535-V547 HydrophobicContact CD1-CB 4.38Å; T536-V547 HydrophobicContact CG2-CG1 4.27Å; T536-V547 HydrophobicContact CG2-CG2 3.93Å; L539-V547 HydrophobicContact CD1-CG1 4.49Å; R541-V547 HydrophobicContact CB-CG1 4.26Å; R541-V547 HydrophobicContact CG-CG1 3.86Å; I544-V547 HydrophobicContact CG1-CG2 4.47Å; I544-V547 WeakPolarHBondContact O-CG2 3.3Å; I544-V547 PolarHBondContact O-N 3.2Å; R545-V547 VanDerWaalsContact C-N 3.28Å; R545-V547 PolarHBondContact O-N 3.09Å
548	C	97.9	Very high	95	Very high	9 Å²	9	58.8 Å²	58.8	6%	0.061	27%	0.273	C	S	.	.	S	Bend	trans	-96.2	154.7	174.5	-57.9	0	0	0	0	111.3	R244 I544 R545 P551	R244-C548 PolarHBondContact NE-O 3.33Å; R244-C548 PolarHBondContact NH2-O 3.14Å; I544-C548 PolarHBondContact O-SG 3.26Å; I544-C548 VanDerWaalsContact O-SG 3.4Å; R545-C548 PolarHBondContact O-N 3.29Å; C548-P551 HydrophobicContact CB-CB 3.95Å
549	L	98.1	Very high	94.8	Very high	83 Å²	83	62.3 Å²	62.3	44%	0.435	30%	0.296	S	S	.	.	S	Bend	trans	-67.9	-65	165	179.1	61.3	0	0	0	109.6	R244 I248 L257	R244-L549 WeakPolarHBondContact CD-O 3.36Å; R244-L549 PolarHBondContact NE-O 3.37Å; I248-L549 HydrophobicContact CD1-CD1 4.06Å; I248-L549 HydrophobicContact CG2-CD1 4.25Å; L257-L549 HydrophobicContact CD1-CD1 3.99Å
550	Y	98.1	Very high	94.6	Very high	73 Å²	73	65.4 Å²	65.4	29%	0.286	31%	0.311	S	S	.	.	S	Bend	trans	-132.1	99.6	174.6	-60.1	-53.8	0	0	0	109.2	R244 H245 R552 P559	R244-Y550 HydrophobicContact CB-CD1 4.11Å; R244-Y550 HydrophobicContact CB-CE1 4.04Å; R244-Y550 HydrophobicContact CG-CD1 4.12Å; R244-Y550 HydrophobicContact CG-CE1 4.2Å; H245-Y550 HydrophobicContact CB-CE1 4.41Å; H245-Y550 WeakPolarHBondContact CB-OH 3.48Å; Y550-R552 PolarHBondContact O-NH1 3.24Å; Y550-P559 WeakPolarHBondContact CD1-OXT 3.32Å; Y550-P559 HydrophobicContact CD2-CB 4.4Å; Y550-P559 HydrophobicContact CE1-CB 3.88Å; Y550-P559 HydrophobicContact CE2-CB 4.37Å; Y550-P559 HydrophobicContact CG-CB 4.19Å; Y550-P559 HydrophobicContact CD1-CB 3.94Å
551	P	96.9	Very high	94.6	Very high	2 Å²	2	64.8 Å²	64.8	1%	0.013	31%	0.306	C	S	.	.			trans	-66.1	151.9	-173.5	29.7	-37.2	0	0	0	111.8	L241 L343 R545 C548 F553	L241-P551 HydrophobicContact CD2-CG 4.07Å; L343-P551 HydrophobicContact CD2-CB 3.98Å; R545-P551 HydrophobicContact CB-CB 4Å; R545-P551 HydrophobicContact CB-CG 3.96Å; C548-P551 HydrophobicContact CB-CB 3.95Å; P551-F553 HydrophobicContact CB-CD1 4.15Å; P551-F553 HydrophobicContact CB-CE1 4.13Å; P551-F553 HydrophobicContact CG-CE1 4.02Å
552	R	96.3	Very high	94.6	Very high	59 Å²	59	64.2 Å²	64.2	22%	0.223	31%	0.307	C	S	.	.			trans	-117.4	129.2	170.1	-62.2	-64.3	175.1	-97.3	-1.8	109.7	L343 S344 E345 Y550 R558	L343-R552 WeakPolarHBondContact CA-O 3.46Å; S344-R552 PolarHBondContact N-O 2.82Å; E345-R552 HydrophobicContact CB-CB 3.97Å; E345-R552 HydrophobicContact CB-CG 4.1Å; E345-R552 WeakPolarHBondContact OE2-CG 3.36Å; Y550-R552 PolarHBondContact O-NH1 3.24Å; R552-R558 PolarHBondContact NH1-O 3.04Å
553	F	93.8	Very high	94.8	Very high	50 Å²	50	59.6 Å²	59.6	22%	0.219	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-159.5	177	174.4	53.2	-94.5	0	0	0	108.5	L241 S344 P551 Q555 R556	L241-F553 HydrophobicContact CD1-CE1 4.27Å; L241-F553 HydrophobicContact CD1-CZ 3.81Å; S344-F553 WeakPolarHBondContact OG-CA 3.32Å; P551-F553 HydrophobicContact CB-CD1 4.15Å; P551-F553 HydrophobicContact CB-CE1 4.13Å; P551-F553 HydrophobicContact CG-CE1 4.02Å; F553-Q555 PolarHBondContact O-N 3.28Å; F553-R556 PolarHBondContact O-N 3.28Å; F553-R556 WeakPolarHBondContact O-CA 3.27Å; F553-R556 CarbonylContact O-C 3.56Å; F553-R556 HydrophobicContact CE1-CG 4.06Å; F553-R556 PolarHBondContact N-O 3.44Å; F553-R556 HydrophobicContact CZ-CG 3.98Å; F553-R556 VanDerWaalsContact CZ-CD 3.43Å; F553-R556 HydrophobicContact CZ-CB 3.71Å; F553-R556 HydrophobicContact CG-CB 4.14Å; F553-R556 HydrophobicContact CE2-CG 4.37Å; F553-R556 HydrophobicContact CE2-CB 3.6Å; F553-R556 HydrophobicContact CE1-CB 4.02Å; F553-R556 HydrophobicContact CD2-CB 3.83Å; F553-R556 HydrophobicContact CD1-CB 4.22Å
554	I	90.7	Very high	94.9	Very high	47 Å²	47	61.3 Å²	61.3	24%	0.241	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	131.5	180	-61.9	162.1	0	0	0	110.6	Q336 S337 R338 R556	Q336-I554 HydrophobicContact CB-CD1 4.26Å; S337-I554 VanDerWaalsContact N-CD1 3.34Å; S337-I554 VanDerWaalsContact O-CD1 3.29Å; S337-I554 WeakPolarHBondContact O-CD1 3.49Å; R338-I554 HydrophobicContact CG-CD1 4.14Å; I554-R556 PolarHBondContact O-N 3.23Å
555	Q	89.6	Confident	95	Very high	169 Å²	169	64.9 Å²	64.9	79%	0.79	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	7.2	-175.7	-63.8	173.7	-18.7	0	0	115.8	R338 F553	R338-Q555 VanDerWaalsContact NH2-NE2 3.1Å; F553-Q555 PolarHBondContact O-N 3.28Å
556	R	92.6	Very high	95	Very high	18 Å²	18	65.6 Å²	65.6	7%	0.068	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-131.9	103.2	179.1	-174.3	139.3	-166.5	115.5	13.9	113.7	L241 N242 F553 I554 P559	L241-R556 VanDerWaalsContact CB-NH1 3.29Å; L241-R556 PolarHBondContact O-NH2 2.83Å; N242-R556 PolarHBondContact OD1-NH1 3.07Å; F553-R556 PolarHBondContact O-N 3.28Å; F553-R556 WeakPolarHBondContact O-CA 3.27Å; F553-R556 CarbonylContact O-C 3.56Å; F553-R556 HydrophobicContact CE1-CG 4.06Å; F553-R556 PolarHBondContact N-O 3.44Å; F553-R556 HydrophobicContact CZ-CG 3.98Å; F553-R556 VanDerWaalsContact CZ-CD 3.43Å; F553-R556 HydrophobicContact CZ-CB 3.71Å; F553-R556 HydrophobicContact CG-CB 4.14Å; F553-R556 HydrophobicContact CE2-CG 4.37Å; F553-R556 HydrophobicContact CE2-CB 3.6Å; F553-R556 HydrophobicContact CE1-CB 4.02Å; F553-R556 HydrophobicContact CD2-CB 3.83Å; F553-R556 HydrophobicContact CD1-CB 4.22Å; I554-R556 PolarHBondContact O-N 3.23Å; R556-P559 VanDerWaalsContact NH2-C 3.31Å; R556-P559 PolarHBondContact NH2-O 3.32Å; R556-P559 PolarHBondContact NH2-OXT 3.23Å
557	C	95.6	Very high	95	Very high	103 Å²	103	66.7 Å²	66.7	70%	0.696	32%	0.322	S	S	*	.			trans	-132.1	33.4	171.7	-166.4	0	0	0	0	112.1
558	R	94.5	Very high	94.8	Very high	180 Å²	180	72.3 Å²	72.3	68%	0.679	35%	0.349	S	S	*	.			trans	-118.4	156.7	176.8	-62.2	179.3	-174.7	170.2	1.7	109.1	R552	R552-R558 PolarHBondContact NH1-O 3.04Å
559	P	93.2	Very high	94.5	Very high	74 Å²	74	78 Å²	78	48%	0.481	38%	0.375	S	S	.	.			trans	-48.7	0	171.3	-25.3	35.1	0	0	0	110.9	Y550 R556	Y550-P559 WeakPolarHBondContact CD1-OXT 3.32Å; Y550-P559 HydrophobicContact CD2-CB 4.4Å; Y550-P559 HydrophobicContact CE1-CB 3.88Å; Y550-P559 HydrophobicContact CE2-CB 4.37Å; Y550-P559 HydrophobicContact CG-CB 4.19Å; Y550-P559 HydrophobicContact CD1-CB 3.94Å; R556-P559 VanDerWaalsContact NH2-C 3.31Å; R556-P559 PolarHBondContact NH2-O 3.32Å; R556-P559 PolarHBondContact NH2-OXT 3.23Å

Retrieved 559 of 559 residues in 197.6 ms (Link to these results)

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