A0A087Y0Z6_POEFO Loading...

PR domain zinc finger protein 8

AlphaFold DB , UniProt , Accession A0A087Y0Z6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 569 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.8	Very low	37.6	Very low	224 Å²	224	153.6 Å²	153.6	100%	1.103	80%	0.799	S	S	*	*				0	137.6	0	-73.6	108.8	162	0	0	107.8
2	E	42	Very low	38.1	Very low	175 Å²	175	147.5 Å²	147.5	82%	0.818	77%	0.768	S	S	*	*			cis	-151.4	-159	-1.1	-126.6	164.9	112.2	0	0	111.4
3	E	38.2	Very low	39.2	Very low	182 Å²	182	139.1 Å²	139.1	85%	0.85	74%	0.74	S	S	*	*			trans	62.2	101.3	176.9	-66.8	-159.2	84.8	0	0	118.8
4	S	36.4	Very low	40	Very low	131 Å²	131	135.6 Å²	135.6	92%	0.916	72%	0.721	S	S	*	*			trans	-177.9	81	132.2	-83.6	0	0	0	0	111.7
5	S	37.3	Very low	41.1	Very low	94 Å²	94	130.3 Å²	130.3	66%	0.657	70%	0.704	S	S	*	*			trans	-119.4	-16.1	176.4	56.8	0	0	0	0	114.4	Q7	S5-Q7 PolarHBondContact O-N 3.35Å
6	S	37.7	Very low	42.2	Very low	104 Å²	104	129.8 Å²	129.8	73%	0.727	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-11.6	-161	-41.8	0	0	0	0	116.6
7	Q	39.3	Very low	43.3	Very low	180 Å²	180	125.7 Å²	125.7	84%	0.841	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-13.5	-175.1	-72.3	-174.2	-13.3	0	0	114.9	S5	S5-Q7 PolarHBondContact O-N 3.35Å
8	K	33.1	Very low	44.4	Very low	187 Å²	187	120.2 Å²	120.2	81%	0.813	65%	0.653	S	S	*	*	S	Bend	trans	-86	-15.6	-172.4	-152.7	176.6	-178.7	-176.2	0	114.7
9	L	36.4	Very low	45.6	Very low	131 Å²	131	119.4 Å²	119.4	69%	0.686	64%	0.644	S	S	*	*	S	Bend	trans	-82.9	-28.8	-176.1	-84.3	76.3	0	0	0	114.4	W11 D12 G13	L9-W11 PolarHBondContact O-N 3.06Å; L9-D12 PolarHBondContact O-N 3Å; L9-G13 PolarHBondContact O-N 3.27Å
10	A	38	Very low	46.8	Very low	70 Å²	70	118.2 Å²	118.2	58%	0.579	63%	0.634	S	S	*	*	H	α-helix	trans	-62.6	-40.9	-168.8	0	0	0	0	0	113.8	G13 D14	A10-G13 PolarHBondContact O-N 3.07Å; A10-D14 PolarHBondContact O-N 3.02Å
11	W	35.5	Very low	47.8	Very low	212 Å²	212	114.4 Å²	114.4	80%	0.803	62%	0.617	S	S	*	*	H	α-helix	trans	-73.9	-28.9	-177.5	-68.7	67.9	0	0	0	113	L9 A15	L9-W11 PolarHBondContact O-N 3.06Å; W11-A15 PolarHBondContact O-N 3.11Å
12	D	43.2	Very low	49.2	Very low	80 Å²	80	104.2 Å²	104.2	43%	0.428	57%	0.566	S	S	.	*	H	α-helix	trans	-70.7	-34	174.4	176.8	55.9	0	0	0	111	L9 K16	L9-D12 PolarHBondContact O-N 3Å; D12-K16 WeakPolarHBondContact O-CB 3.35Å; D12-K16 WeakPolarHBondContact O-CD 3.4Å; D12-K16 VanDerWaalsContact O-CG 3.27Å; D12-K16 WeakPolarHBondContact O-CG 3.31Å; D12-K16 PolarHBondContact O-N 3.42Å; D12-K16 WeakPolarHBondContact OD1-CE 3.39Å; D12-K16 IonicContact OD1-NZ 2.68Å; D12-K16 PolarHBondContact OD1-NZ 3.22Å; D12-K16 IonicContact OD2-NZ 3.71Å; D12-K16 PolarHBondContact OD2-NZ 3.19Å
13	G	52	Low	50.7	Low	38 Å²	38	97.8 Å²	97.8	39%	0.392	54%	0.539	S	S	.	.	H	α-helix	trans	-60.3	-53.4	172.8	0	0	0	0	0	113.4	L9 A10 A15 K16 A17	L9-G13 PolarHBondContact O-N 3.27Å; A10-G13 PolarHBondContact O-N 3.07Å; G13-A15 PolarHBondContact O-N 3.31Å; G13-K16 PolarHBondContact O-N 3.35Å; G13-A17 WeakPolarHBondContact O-CB 3.39Å; G13-A17 PolarHBondContact O-N 3.41Å
14	D	51.4	Low	52.6	Low	90 Å²	90	89.8 Å²	89.8	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-62.5	-41.5	179.7	-97	17.9	0	0	0	112.4	A10 K16 A17 V18 P502	A10-D14 PolarHBondContact O-N 3.02Å; D14-K16 VanDerWaalsContact C-N 3.33Å; D14-K16 PolarHBondContact O-N 3.15Å; D14-A17 PolarHBondContact O-N 3.22Å; D14-V18 WeakPolarHBondContact O-CG2 3.02Å; D14-V18 PolarHBondContact O-N 2.8Å; D14-P502 HydrophobicContact CB-CB 4.34Å; D14-P502 HydrophobicContact CB-CG 4.43Å
15	A	55.7	Low	54.5	Low	56 Å²	56	84.6 Å²	84.6	46%	0.463	46%	0.464	S	S	.	.	H	α-helix	trans	-62.6	-40.5	176.2	0	0	0	0	0	111.9	W11 G13 Q19	W11-A15 PolarHBondContact O-N 3.11Å; G13-A15 PolarHBondContact O-N 3.31Å; A15-Q19 WeakPolarHBondContact O-CB 3.2Å; A15-Q19 PolarHBondContact O-N 3.3Å
16	K	58.7	Low	56.6	Low	123 Å²	123	82.3 Å²	82.3	54%	0.535	44%	0.442	S	S	.	.	H	α-helix	trans	-69.7	-39.7	175.3	-76.7	168.2	176.9	167.1	0	112.7	D12 G13 D14 V18 Q19 Q20	D12-K16 WeakPolarHBondContact O-CB 3.35Å; D12-K16 WeakPolarHBondContact O-CD 3.4Å; D12-K16 VanDerWaalsContact O-CG 3.27Å; D12-K16 WeakPolarHBondContact O-CG 3.31Å; D12-K16 PolarHBondContact O-N 3.42Å; D12-K16 WeakPolarHBondContact OD1-CE 3.39Å; D12-K16 IonicContact OD1-NZ 2.68Å; D12-K16 PolarHBondContact OD1-NZ 3.22Å; D12-K16 IonicContact OD2-NZ 3.71Å; D12-K16 PolarHBondContact OD2-NZ 3.19Å; G13-K16 PolarHBondContact O-N 3.35Å; D14-K16 VanDerWaalsContact C-N 3.33Å; D14-K16 PolarHBondContact O-N 3.15Å; K16-V18 VanDerWaalsContact C-N 3.33Å; K16-V18 PolarHBondContact O-N 3.46Å; K16-Q19 PolarHBondContact O-N 3.44Å; K16-Q20 WeakPolarHBondContact O-CB 3.45Å; K16-Q20 PolarHBondContact O-N 3.33Å
17	A	61.7	Low	59.1	Low	60 Å²	60	77.7 Å²	77.7	50%	0.496	41%	0.41	S	S	.	.	H	α-helix	trans	-62.8	-40.5	175.7	0	0	0	0	0	111.8	G13 D14 C21	G13-A17 WeakPolarHBondContact O-CB 3.39Å; G13-A17 PolarHBondContact O-N 3.41Å; D14-A17 PolarHBondContact O-N 3.22Å; A17-C21 WeakPolarHBondContact O-CB 3.39Å; A17-C21 PolarHBondContact O-N 2.68Å
18	V	63	Low	61.6	Low	26 Å²	26	69.3 Å²	69.3	16%	0.158	37%	0.371	C	S	.	.	H	α-helix	trans	-64.1	-47.6	171.7	160.9	0	0	0	0	111.8	D14 K16 Q20 C21 L22 C500 P502	D14-V18 WeakPolarHBondContact O-CG2 3.02Å; D14-V18 PolarHBondContact O-N 2.8Å; K16-V18 VanDerWaalsContact C-N 3.33Å; K16-V18 PolarHBondContact O-N 3.46Å; V18-Q20 VanDerWaalsContact C-N 3.29Å; V18-Q20 PolarHBondContact O-N 3.01Å; V18-C21 PolarHBondContact O-N 2.93Å; V18-L22 HydrophobicContact CG1-CD1 3.93Å; V18-L22 HydrophobicContact CG1-CG 4.48Å; V18-L22 WeakPolarHBondContact O-CG 3.28Å; V18-L22 PolarHBondContact O-N 3.15Å; V18-C500 WeakPolarHBondContact CG1-O 3.45Å; V18-C500 WeakPolarHBondContact CG2-O 3.39Å; V18-P502 HydrophobicContact CG2-CG 3.84Å
19	Q	66.8	Low	64.6	Low	105 Å²	105	60.4 Å²	60.4	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-62.9	-36.6	179.1	-174.3	56.9	57.8	0	0	112.1	A15 K16 T23	A15-Q19 WeakPolarHBondContact O-CB 3.2Å; A15-Q19 PolarHBondContact O-N 3.3Å; K16-Q19 PolarHBondContact O-N 3.44Å; Q19-T23 PolarHBondContact O-N 2.55Å; Q19-T23 PolarHBondContact O-OG1 3.4Å
20	Q	70.1	Confident	67.4	Low	95 Å²	95	57.1 Å²	57.1	44%	0.444	31%	0.312	S	S	.	.	H	α-helix	trans	-64.4	-50.6	172.7	-172.1	65	56.1	0	0	111.1	K16 V18 L22 T23 D24	K16-Q20 WeakPolarHBondContact O-CB 3.45Å; K16-Q20 PolarHBondContact O-N 3.33Å; V18-Q20 VanDerWaalsContact C-N 3.29Å; V18-Q20 PolarHBondContact O-N 3.01Å; Q20-L22 VanDerWaalsContact C-N 3.28Å; Q20-L22 PolarHBondContact O-N 3.46Å; Q20-T23 CarbonylContact O-C 3.56Å; Q20-T23 WeakPolarHBondContact O-CA 3.32Å; Q20-T23 WeakPolarHBondContact O-CB 3.46Å; Q20-T23 PolarHBondContact O-N 2.72Å; Q20-D24 PolarHBondContact NE2-OD1 3.28Å; Q20-D24 PolarHBondContact O-N 3.29Å
21	C	67.7	Low	70.1	Confident	40 Å²	40	53.8 Å²	53.8	27%	0.27	28%	0.284	S	S	.	.	H	α-helix	trans	-56.6	-40.6	177.8	-176.8	0	0	0	0	112.3	A17 V18 D24 I25	A17-C21 WeakPolarHBondContact O-CB 3.39Å; A17-C21 PolarHBondContact O-N 2.68Å; V18-C21 PolarHBondContact O-N 2.93Å; C21-D24 PolarHBondContact O-N 3.13Å; C21-I25 WeakPolarHBondContact O-CD1 3.34Å; C21-I25 VanDerWaalsContact O-CG1 3.24Å; C21-I25 WeakPolarHBondContact O-CG1 3.12Å; C21-I25 PolarHBondContact O-N 2.88Å
22	L	68.1	Low	72.9	Confident	9 Å²	9	46 Å²	46	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-45.4	173.5	-70.6	168.8	0	0	0	112.1	V18 Q20 D24 I25 F26 L489 L492 C500	V18-L22 HydrophobicContact CG1-CD1 3.93Å; V18-L22 HydrophobicContact CG1-CG 4.48Å; V18-L22 WeakPolarHBondContact O-CG 3.28Å; V18-L22 PolarHBondContact O-N 3.15Å; Q20-L22 VanDerWaalsContact C-N 3.28Å; Q20-L22 PolarHBondContact O-N 3.46Å; L22-D24 VanDerWaalsContact C-N 3.35Å; L22-I25 PolarHBondContact O-N 2.89Å; L22-F26 HydrophobicContact CD2-CE2 4.43Å; L22-F26 WeakPolarHBondContact O-CB 3.48Å; L22-F26 WeakPolarHBondContact O-CD2 3.37Å; L22-F26 PolarHBondContact O-N 3Å; L22-L489 HydrophobicContact CD1-CD2 3.98Å; L22-L492 HydrophobicContact CD2-CD1 3.86Å; L22-L492 HydrophobicContact CD2-CD2 3.75Å; L22-L492 HydrophobicContact CD2-CG 4.3Å; L22-C500 HydrophobicContact CD2-CB 3.73Å; L22-C500 HydrophobicContact CG-CB 4.25Å
23	T	74.6	Confident	75.4	Confident	41 Å²	41	43.5 Å²	43.5	25%	0.252	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-41	175.2	-56.8	0	0	0	0	111.6	Q19 Q20 I25 F26 T27 Y70	Q19-T23 PolarHBondContact O-N 2.55Å; Q19-T23 PolarHBondContact O-OG1 3.4Å; Q20-T23 CarbonylContact O-C 3.56Å; Q20-T23 WeakPolarHBondContact O-CA 3.32Å; Q20-T23 WeakPolarHBondContact O-CB 3.46Å; Q20-T23 PolarHBondContact O-N 2.72Å; T23-I25 VanDerWaalsContact C-N 3.3Å; T23-I25 PolarHBondContact O-N 2.67Å; T23-F26 CarbonylContact O-C 3.48Å; T23-F26 PolarHBondContact O-N 3.05Å; T23-F26 VanDerWaalsContact O-N 3.13Å; T23-T27 WeakPolarHBondContact O-CB 3.14Å; T23-T27 PolarHBondContact O-N 3.06Å; T23-T27 PolarHBondContact O-OG1 3.38Å; T23-Y70 HydrophobicContact CG2-CD2 4.37Å
24	D	77.1	Confident	77.5	Confident	13 Å²	13	45.1 Å²	45.1	7%	0.07	25%	0.248	C	C	.	.	H	α-helix	trans	-66.2	-29.8	178.2	-63.2	-5.5	0	0	0	112.6	Q20 C21 L22 K61 R90 L91 Q93	Q20-D24 PolarHBondContact NE2-OD1 3.28Å; Q20-D24 PolarHBondContact O-N 3.29Å; C21-D24 PolarHBondContact O-N 3.13Å; L22-D24 VanDerWaalsContact C-N 3.35Å; D24-K61 WeakPolarHBondContact O-CE 3.48Å; D24-K61 PolarHBondContact O-NZ 3.16Å; D24-R90 HydrophobicContact CB-CG 4.44Å; D24-R90 WeakPolarHBondContact OD2-CD 3.49Å; D24-L91 HydrophobicContact CB-CD2 3.97Å; D24-L91 WeakPolarHBondContact OD1-CD2 3.4Å; D24-Q93 PolarHBondContact O-NE2 3.48Å
25	I	78.1	Confident	79.6	Confident	23 Å²	23	41 Å²	41	12%	0.118	23%	0.226	C	C	.	.	H	α-helix	trans	-74.4	-35.8	172	-71.2	163.5	0	0	0	111.3	C21 L22 T23 F57 Q93 F496	C21-I25 WeakPolarHBondContact O-CD1 3.34Å; C21-I25 VanDerWaalsContact O-CG1 3.24Å; C21-I25 WeakPolarHBondContact O-CG1 3.12Å; C21-I25 PolarHBondContact O-N 2.88Å; L22-I25 PolarHBondContact O-N 2.89Å; T23-I25 VanDerWaalsContact C-N 3.3Å; T23-I25 PolarHBondContact O-N 2.67Å; I25-F57 HydrophobicContact CG1-CZ 4.45Å; I25-Q93 PolarHBondContact O-NE2 2.96Å; I25-F496 HydrophobicContact CD1-CD1 4.37Å; I25-F496 HydrophobicContact CG2-CE1 4.47Å
26	F	81.6	Confident	81.6	Confident	45 Å²	45	42.4 Å²	42.4	20%	0.197	23%	0.23	C	C	.	.	S	Bend	trans	-96.8	10.8	-175.2	-69.7	-51.4	0	0	0	115.3	L22 T23 T67 A68 P69 Y70 L492	L22-F26 HydrophobicContact CD2-CE2 4.43Å; L22-F26 WeakPolarHBondContact O-CB 3.48Å; L22-F26 WeakPolarHBondContact O-CD2 3.37Å; L22-F26 PolarHBondContact O-N 3Å; T23-F26 CarbonylContact O-C 3.48Å; T23-F26 PolarHBondContact O-N 3.05Å; T23-F26 VanDerWaalsContact O-N 3.13Å; F26-T67 WeakPolarHBondContact CD1-O 3.04Å; F26-A68 WeakPolarHBondContact O-CA 3.3Å; F26-P69 HydrophobicContact CB-CG 4.05Å; F26-P69 WeakPolarHBondContact O-CD 3.46Å; F26-Y70 HydrophobicContact CB-CD2 4.14Å; F26-Y70 HydrophobicContact CB-CE2 4.38Å; F26-Y70 PolarHBondContact O-N 3.19Å; F26-L492 HydrophobicContact CE2-CD2 4Å; F26-L492 HydrophobicContact CZ-CD2 3.78Å
27	T	89.6	Confident	83.4	Confident	7 Å²	7	42 Å²	42	4%	0.043	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.5	178	-59.7	0	0	0	0	111.6	T23 Y70 F72 L91 Q93	T23-T27 WeakPolarHBondContact O-CB 3.14Å; T23-T27 PolarHBondContact O-N 3.06Å; T23-T27 PolarHBondContact O-OG1 3.38Å; T27-Y70 CarbonylContact C-O 3.6Å; T27-Y70 WeakPolarHBondContact CA-O 3.24Å; T27-F72 HydrophobicContact CG2-CB 3.61Å; T27-L91 HydrophobicContact CG2-CB 4.21Å; T27-L91 HydrophobicContact CG2-CD1 4.26Å; T27-L91 VanDerWaalsContact O-O 3.04Å; T27-Q93 WeakPolarHBondContact O-CG 3.23Å; T27-Q93 PolarHBondContact O-NE2 3.04Å
28	S	91.8	Very high	85	Confident	5 Å²	5	43.4 Å²	43.4	4%	0.035	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	142.6	164.9	-76.1	0	0	0	0	110.5	A68 Y70 F72 E125	S28-A68 WeakPolarHBondContact OG-CB 3.44Å; S28-Y70 PolarHBondContact N-O 3.36Å; S28-F72 PolarHBondContact O-N 2.86Å; S28-E125 WeakPolarHBondContact CB-OE1 3.04Å; S28-E125 PolarHBondContact OG-OE1 2.82Å
29	V	94.8	Very high	86.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.9	178.3	-179.2	0	0	0	0	109.5	F72 V74 W88 L91 V92 E125 L126	V29-F72 CarbonylContact C-O 3.58Å; V29-F72 WeakPolarHBondContact CA-O 3.32Å; V29-F72 HydrophobicContact CG1-CD1 4.46Å; V29-V74 HydrophobicContact CG1-CB 4.44Å; V29-V74 HydrophobicContact CG1-CG1 3.61Å; V29-W88 HydrophobicContact CG1-CE3 3.89Å; V29-W88 HydrophobicContact CG1-CZ3 4.2Å; V29-L91 HydrophobicContact CG2-CB 3.48Å; V29-L91 VanDerWaalsContact CG2-CB 3.48Å; V29-V92 HydrophobicContact CB-CG2 4.36Å; V29-V92 HydrophobicContact CG2-CG2 4.13Å; V29-E125 CarbonylContact O-C 3.56Å; V29-E125 WeakPolarHBondContact O-CA 3.17Å; V29-L126 HydrophobicContact CB-CB 4.42Å; V29-L126 HydrophobicContact CG1-CB 4.46Å; V29-L126 HydrophobicContact CG1-CD1 3.9Å; V29-L126 HydrophobicContact CG1-CG 4.33Å; V29-L126 PolarHBondContact O-N 3.04Å
30	Y	95.3	Very high	87.8	Confident	62 Å²	62	42.7 Å²	42.7	24%	0.243	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.4	179.4	-78.5	-99.9	0	0	0	110.9	I71 F72 R73 V74 D123 E124 E125	Y30-I71 HydrophobicContact CD2-CG2 3.71Å; Y30-I71 HydrophobicContact CE2-CG1 4.32Å; Y30-I71 HydrophobicContact CE2-CG2 4.28Å; Y30-I71 HydrophobicContact CG-CG2 4.31Å; Y30-F72 PolarHBondContact N-O 2.79Å; Y30-R73 WeakPolarHBondContact O-CA 3.32Å; Y30-V74 PolarHBondContact O-N 3.32Å; Y30-D123 VanDerWaalsContact CD1-O 3.3Å; Y30-D123 WeakPolarHBondContact CD1-O 3.48Å; Y30-E124 VanDerWaalsContact CA-O 3.26Å; Y30-E124 WeakPolarHBondContact CA-O 3.2Å; Y30-E124 VanDerWaalsContact CD1-C 3.4Å; Y30-E124 WeakPolarHBondContact CD1-O 3.25Å; Y30-E125 HydrophobicContact CD1-CB 4.36Å; Y30-E125 HydrophobicContact CE1-CB 3.89Å; Y30-E125 HydrophobicContact CE2-CB 4.19Å; Y30-E125 HydrophobicContact CE2-CG 4.22Å
31	T	95	Very high	88.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	140.3	178.6	-175.1	0	0	0	0	112.4	C33 I35 V74 I120 E121 D123 E124	T31-C33 VanDerWaalsContact CG2-O 3.26Å; T31-C33 WeakPolarHBondContact CG2-O 3.27Å; T31-C33 PolarHBondContact OG1-N 3Å; T31-C33 PolarHBondContact OG1-O 2.87Å; T31-I35 HydrophobicContact CG2-CD1 4.13Å; T31-I35 HydrophobicContact CG2-CG1 4.46Å; T31-V74 WeakPolarHBondContact CA-O 3.42Å; T31-I120 HydrophobicContact CG2-CG2 4.21Å; T31-E121 VanDerWaalsContact CG2-O 3.28Å; T31-E121 WeakPolarHBondContact CG2-O 3.39Å; T31-D123 WeakPolarHBondContact O-CA 3.48Å; T31-D123 PolarHBondContact O-N 2.79Å; T31-E124 PolarHBondContact N-O 3.29Å; T31-E124 VanDerWaalsContact N-O 3.16Å
32	T	94.9	Very high	89.8	Confident	47 Å²	47	37.9 Å²	37.9	29%	0.288	21%	0.209	S	C	.	.	S	Bend	trans	-93.7	-6.5	175.8	59.8	0	0	0	0	113.9	R73 V74 D75 K122	T32-R73 HydrophobicContact CG2-CB 3.8Å; T32-R73 HydrophobicContact CG2-CG 4.4Å; T32-V74 PolarHBondContact N-O 3.26Å; T32-V74 PolarHBondContact OG1-O 3.06Å; T32-D75 VanDerWaalsContact OG1-CA 3.31Å; T32-D75 WeakPolarHBondContact OG1-CA 3.3Å; T32-D75 PolarHBondContact OG1-N 2.94Å; T32-K122 WeakPolarHBondContact O-CD 3.41Å; T32-K122 VanDerWaalsContact O-CE 3.32Å; T32-K122 WeakPolarHBondContact O-CE 3.29Å; T32-K122 WeakPolarHBondContact O-CG 3.44Å
33	C	94.8	Very high	90.7	Very high	29 Å²	29	39.4 Å²	39.4	20%	0.196	22%	0.219	C	C	.	.	S	Bend	trans	-135.5	165.7	174.5	68.5	0	0	0	0	110.4	T31 T76	T31-C33 VanDerWaalsContact CG2-O 3.26Å; T31-C33 WeakPolarHBondContact CG2-O 3.27Å; T31-C33 PolarHBondContact OG1-N 3Å; T31-C33 PolarHBondContact OG1-O 2.87Å; C33-T76 PolarHBondContact SG-OG1 2.92Å
34	D	96.4	Very high	91.2	Very high	72 Å²	72	37.8 Å²	37.8	39%	0.385	21%	0.209	S	C	.	.			trans	-64.8	142.6	169.4	-73.6	12.6	0	0	0	110.7	R119 I120 K122	D34-R119 IonicContact OD2-CZ 3.64Å; D34-R119 IonicContact OD2-NE 2.72Å; D34-R119 PolarHBondContact OD2-NE 3.18Å; D34-R119 IonicContact OD2-NH2 3.9Å; D34-R119 PolarHBondContact OD2-NH2 3.49Å; D34-I120 WeakPolarHBondContact CA-O 3.47Å; D34-K122 PolarHBondContact OD1-N 3.15Å
35	I	96.1	Very high	91.1	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-110.2	124.9	172.1	-58.3	167	0	0	0	107.6	T31 A39 F41 T76 R119 I120 L126	T31-I35 HydrophobicContact CG2-CD1 4.13Å; T31-I35 HydrophobicContact CG2-CG1 4.46Å; I35-A39 HydrophobicContact CG2-CB 3.57Å; I35-F41 HydrophobicContact CD1-CE2 4.43Å; I35-F41 HydrophobicContact CD1-CZ 4.11Å; I35-F41 HydrophobicContact CG1-CZ 4.36Å; I35-F41 HydrophobicContact CG2-CE2 4.13Å; I35-F41 HydrophobicContact CG2-CZ 3.73Å; I35-T76 HydrophobicContact CD1-CG2 3.89Å; I35-T76 HydrophobicContact CG1-CG2 4.25Å; I35-T76 VanDerWaalsContact CG1-OG1 3.3Å; I35-T76 WeakPolarHBondContact CG1-OG1 3.37Å; I35-R119 WeakPolarHBondContact O-CA 3.44Å; I35-I120 HydrophobicContact CB-CB 4.09Å; I35-I120 HydrophobicContact CD1-CB 4.35Å; I35-I120 HydrophobicContact CD1-CD1 4.23Å; I35-I120 PolarHBondContact N-O 3.31Å; I35-I120 PolarHBondContact O-N 3.2Å; I35-L126 HydrophobicContact CD1-CD1 4.3Å; I35-L126 HydrophobicContact CD1-CD2 3.68Å
36	P	96.8	Very high	90.7	Very high	86 Å²	86	41 Å²	41	56%	0.558	23%	0.23	S	C	*	.			trans	-68.7	159.6	174.6	28.5	-32.3	0	0	0	111.1	A39 S116	P36-A39 HydrophobicContact CG-CB 4.19Å; P36-A39 WeakPolarHBondContact O-CB 3.34Å; P36-A39 PolarHBondContact O-N 3.07Å; P36-S116 PolarHBondContact O-OG 2.85Å
37	E	96.7	Very high	89.8	Confident	114 Å²	114	42.2 Å²	42.2	53%	0.533	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	148.4	170.5	-166.8	-172	122.3	0	0	111.1	A39	E37-A39 PolarHBondContact O-N 2.84Å; E37-A39 VanDerWaalsContact O-N 3.17Å
38	N	96	Very high	88.3	Confident	91 Å²	91	51.4 Å²	51.4	49%	0.487	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	14.6	-178.1	-58.5	-73.2	0	0	0	115.2	S116	N38-S116 WeakPolarHBondContact CA-O 3.35Å; N38-S116 PolarHBondContact N-O 3.21Å; N38-S116 PolarHBondContact N-OG 3.08Å; N38-S116 VanDerWaalsContact N-OG 3.1Å
39	A	94.6	Very high	87.2	Confident	20 Å²	20	54.1 Å²	54.1	17%	0.165	30%	0.302	C	S	.	.			trans	-60.9	138.2	167.4	0	0	0	0	0	110.2	I35 P36 E37 F41 R115 S116	I35-A39 HydrophobicContact CG2-CB 3.57Å; P36-A39 HydrophobicContact CG-CB 4.19Å; P36-A39 WeakPolarHBondContact O-CB 3.34Å; P36-A39 PolarHBondContact O-N 3.07Å; E37-A39 PolarHBondContact O-N 2.84Å; E37-A39 VanDerWaalsContact O-N 3.17Å; A39-F41 HydrophobicContact CB-CE2 4.44Å; A39-F41 HydrophobicContact CB-CZ 4.15Å; A39-R115 CarbonylContact O-C 3.59Å; A39-R115 VanDerWaalsContact O-CA 3.24Å; A39-R115 WeakPolarHBondContact O-CA 3.32Å; A39-S116 WeakPolarHBondContact CB-OG 3.4Å; A39-S116 PolarHBondContact N-OG 3.05Å; A39-S116 PolarHBondContact O-N 2.68Å
40	I	93.6	Very high	86.6	Confident	95 Å²	95	56.6 Å²	56.6	49%	0.487	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.7	-174.7	-65.3	168.7	0	0	0	110	Y106 F113 Y114	I40-Y106 VanDerWaalsContact CG2-OH 3.29Å; I40-Y106 WeakPolarHBondContact CG2-OH 3.39Å; I40-F113 HydrophobicContact CG2-CB 4.48Å; I40-F113 HydrophobicContact CG2-CD1 4.02Å; I40-Y114 WeakPolarHBondContact CA-O 3.36Å
41	F	92.2	Very high	86.1	Confident	15 Å²	15	55.7 Å²	55.7	7%	0.066	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.9	174.8	-49.5	-68.7	0	0	0	110.6	I35 A39 T76 W88 L89 L103 F113 Y114	I35-F41 HydrophobicContact CD1-CE2 4.43Å; I35-F41 HydrophobicContact CD1-CZ 4.11Å; I35-F41 HydrophobicContact CG1-CZ 4.36Å; I35-F41 HydrophobicContact CG2-CE2 4.13Å; I35-F41 HydrophobicContact CG2-CZ 3.73Å; A39-F41 HydrophobicContact CB-CE2 4.44Å; A39-F41 HydrophobicContact CB-CZ 4.15Å; F41-T76 HydrophobicContact CE1-CG2 3.7Å; F41-T76 HydrophobicContact CZ-CG2 3.77Å; F41-W88 HydrophobicContact CB-CH2 4.5Å; F41-W88 HydrophobicContact CD1-CH2 4.3Å; F41-W88 HydrophobicContact CD1-CZ2 4.12Å; F41-W88 HydrophobicContact CD2-CH2 4.33Å; F41-W88 HydrophobicContact CG-CH2 4.12Å; F41-W88 HydrophobicContact CG-CZ2 4.27Å; F41-L89 HydrophobicContact CB-CD1 4.22Å; F41-L89 HydrophobicContact CB-CD2 3.74Å; F41-L103 HydrophobicContact CD2-CD2 4.39Å; F41-L103 HydrophobicContact CE2-CD2 4.19Å; F41-F113 WeakPolarHBondContact O-CA 3.13Å; F41-Y114 PolarHBondContact N-O 3.49Å; F41-Y114 PolarHBondContact O-N 3Å
42	G	87.9	Confident	85.5	Confident	20 Å²	20	59.1 Å²	59.1	21%	0.206	33%	0.332	C	S	.	.			trans	150.2	-179.4	172.8	0	0	0	0	0	114.3	L86 F113	G42-L86 VanDerWaalsContact O-CD1 3.29Å; G42-L86 WeakPolarHBondContact O-CD1 3.26Å; G42-F113 VanDerWaalsContact C-CE1 3.45Å
43	P	87.6	Confident	85	Confident	41 Å²	41	60.9 Å²	60.9	27%	0.266	34%	0.34	S	S	.	.			cis	-72	134.8	11.2	29.9	-36.9	0	0	0	113.3	V45 Q111 L112 F113	P43-V45 HydrophobicContact CB-CG2 4.1Å; P43-V45 HydrophobicContact CG-CG2 4.33Å; P43-V45 PolarHBondContact O-N 3.04Å; P43-Q111 HydrophobicContact CB-CB 4.01Å; P43-Q111 HydrophobicContact CB-CG 4.4Å; P43-L112 CarbonylContact C-O 3.55Å; P43-L112 WeakPolarHBondContact CA-O 3.11Å; P43-F113 HydrophobicContact CB-CE1 4.44Å; P43-F113 HydrophobicContact CB-CZ 4.3Å
44	C	85.1	Confident	84.5	Confident	6 Å²	6	59.9 Å²	59.9	4%	0.041	33%	0.333	C	S	.	.			trans	-77.2	109	168	178	0	0	0	0	108.7	L89 L112 Y114	C44-L89 HydrophobicContact CB-CB 4.04Å; C44-L89 HydrophobicContact CB-CD1 4.05Å; C44-L112 HydrophobicContact CB-CB 4.46Å; C44-L112 HydrophobicContact CB-CD2 4.47Å; C44-L112 HydrophobicContact CB-CG 4.45Å; C44-L112 PolarHBondContact N-O 3.2Å; C44-Y114 HydrophobicContact CB-CE1 4.32Å
45	V	73.8	Confident	84.2	Confident	85 Å²	85	56.7 Å²	56.7	52%	0.515	32%	0.316	S	S	.	.			trans	-120.3	119.2	179.6	-175.4	0	0	0	0	109.7	P43	P43-V45 HydrophobicContact CB-CG2 4.1Å; P43-V45 HydrophobicContact CG-CG2 4.33Å; P43-V45 PolarHBondContact O-N 3.04Å
46	L	70.1	Confident	83.8	Confident	19 Å²	19	57.7 Å²	57.7	10%	0.099	32%	0.324	C	S	.	.			trans	-81.9	129	166.3	-55.9	-174.3	0	0	0	108.8	H48 T49 F57 R90	L46-H48 PolarHBondContact O-N 3.47Å; L46-T49 HydrophobicContact CB-CG2 4.44Å; L46-T49 WeakPolarHBondContact CB-OG1 3.26Å; L46-T49 PolarHBondContact O-N 3.24Å; L46-F57 HydrophobicContact CD1-CB 3.63Å; L46-F57 HydrophobicContact CD1-CD1 3.45Å; L46-F57 VanDerWaalsContact CD1-CD1 3.45Å; L46-F57 HydrophobicContact CD1-CD2 4.42Å; L46-F57 HydrophobicContact CD1-CE1 4.16Å; L46-F57 HydrophobicContact CD1-CG 3.6Å; L46-F57 HydrophobicContact CD2-CD1 4.23Å; L46-F57 HydrophobicContact CD2-CE1 4.38Å; L46-F57 HydrophobicContact CG-CD1 4.49Å; L46-R90 HydrophobicContact CD2-CB 3.44Å; L46-R90 VanDerWaalsContact CD2-CB 3.44Å
47	S	61.8	Low	83.3	Confident	71 Å²	71	55.5 Å²	55.5	50%	0.497	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	123.7	-175.9	-59.2	0	0	0	0	111.4	T49	S47-T49 PolarHBondContact O-N 2.96Å
48	H	59.4	Low	83.1	Confident	200 Å²	200	50.3 Å²	50.3	93%	0.926	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	15.2	176.7	-48.6	-79.2	0	0	0	117.6	L46	L46-H48 PolarHBondContact O-N 3.47Å
49	T	68.9	Low	82.8	Confident	62 Å²	62	46 Å²	46	38%	0.38	26%	0.259	S	S	.	.			trans	-113.8	160	174.7	79.2	0	0	0	0	112.5	L46 S47 D53 S54	L46-T49 HydrophobicContact CB-CG2 4.44Å; L46-T49 WeakPolarHBondContact CB-OG1 3.26Å; L46-T49 PolarHBondContact O-N 3.24Å; S47-T49 PolarHBondContact O-N 2.96Å; T49-D53 HydrophobicContact CG2-CB 4.48Å; T49-S54 PolarHBondContact OG1-OG 2.88Å
50	S	82.2	Confident	82.4	Confident	52 Å²	52	47 Å²	47	36%	0.364	26%	0.261	S	S	.	.			trans	-73.5	172.8	176.7	75.4	0	0	0	0	112.7	Y52 D53 S54	S50-Y52 VanDerWaalsContact C-N 3.28Å; S50-Y52 PolarHBondContact O-N 2.92Å; S50-Y52 PolarHBondContact OG-N 3.24Å; S50-D53 WeakPolarHBondContact CA-OD2 3.43Å; S50-D53 WeakPolarHBondContact CB-OD2 3.39Å; S50-D53 PolarHBondContact N-OD2 3.32Å; S50-D53 PolarHBondContact O-N 3.28Å; S50-D53 PolarHBondContact OG-N 2.84Å; S50-D53 VanDerWaalsContact OG-N 3.15Å; S50-D53 PolarHBondContact OG-OD2 3.3Å; S50-S54 WeakPolarHBondContact O-CB 3.47Å; S50-S54 PolarHBondContact O-N 3.46Å; S50-S54 PolarHBondContact O-OG 3.26Å
51	L	84.3	Confident	82.2	Confident	42 Å²	42	42.9 Å²	42.9	22%	0.22	24%	0.24	C	C	.	.	H	α-helix	trans	-58.7	-40.7	169.8	-178.1	68.9	0	0	0	111.3	S54 I55 V107 L112	L51-S54 PolarHBondContact O-N 3.08Å; L51-I55 HydrophobicContact CD1-CD1 4.41Å; L51-I55 HydrophobicContact CG-CD1 3.97Å; L51-I55 VanDerWaalsContact O-CG1 3.27Å; L51-I55 WeakPolarHBondContact O-CG1 3.14Å; L51-I55 PolarHBondContact O-N 3.18Å; L51-V107 HydrophobicContact CD1-CG2 4.39Å; L51-V107 HydrophobicContact CD2-CG1 4.12Å; L51-V107 HydrophobicContact CD2-CG2 4.37Å; L51-L112 HydrophobicContact CD1-CB 3.96Å
52	Y	82.9	Confident	82.1	Confident	72 Å²	72	42.4 Å²	42.4	28%	0.282	24%	0.239	S	C	.	.	H	α-helix	trans	-66.9	-39.3	179.2	-70.1	-75.5	0	0	0	112.4	S50 I55 A56 A235	S50-Y52 VanDerWaalsContact C-N 3.28Å; S50-Y52 PolarHBondContact O-N 2.92Å; S50-Y52 PolarHBondContact OG-N 3.24Å; Y52-I55 PolarHBondContact O-N 3.2Å; Y52-A56 VanDerWaalsContact O-CB 3.31Å; Y52-A56 WeakPolarHBondContact O-CB 3.03Å; Y52-A56 PolarHBondContact O-N 2.91Å; Y52-A235 WeakPolarHBondContact OH-CA 3.47Å; Y52-A235 WeakPolarHBondContact OH-CB 3.47Å; Y52-A235 PolarHBondContact OH-N 3.37Å
53	D	83.9	Confident	82.1	Confident	84 Å²	84	43.1 Å²	43.1	45%	0.449	24%	0.239	S	C	.	.	H	α-helix	trans	-64.9	-42.5	173.7	-57.1	-53.9	0	0	0	110.8	T49 S50 I55 A56 F57	T49-D53 HydrophobicContact CG2-CB 4.48Å; S50-D53 WeakPolarHBondContact CA-OD2 3.43Å; S50-D53 WeakPolarHBondContact CB-OD2 3.39Å; S50-D53 PolarHBondContact N-OD2 3.32Å; S50-D53 PolarHBondContact O-N 3.28Å; S50-D53 PolarHBondContact OG-N 2.84Å; S50-D53 VanDerWaalsContact OG-N 3.15Å; S50-D53 PolarHBondContact OG-OD2 3.3Å; D53-I55 VanDerWaalsContact C-N 3.32Å; D53-I55 PolarHBondContact O-N 3.42Å; D53-A56 PolarHBondContact O-N 3.46Å; D53-F57 WeakPolarHBondContact O-CB 3.48Å; D53-F57 PolarHBondContact O-N 2.96Å
54	S	85.1	Confident	82.1	Confident	9 Å²	9	42.8 Å²	42.8	6%	0.063	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-39.1	177.5	-54.8	0	0	0	0	112.2	T49 S50 L51	T49-S54 PolarHBondContact OG1-OG 2.88Å; S50-S54 WeakPolarHBondContact O-CB 3.47Å; S50-S54 PolarHBondContact O-N 3.46Å; S50-S54 PolarHBondContact O-OG 3.26Å; L51-S54 PolarHBondContact O-N 3.08Å
55	I	89.3	Confident	82.1	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-66.1	-51.6	172.2	-70.9	166.1	0	0	0	110	L51 Y52 D53 F57 I58 V107 L112 Y130 L134 L138	L51-I55 HydrophobicContact CD1-CD1 4.41Å; L51-I55 HydrophobicContact CG-CD1 3.97Å; L51-I55 VanDerWaalsContact O-CG1 3.27Å; L51-I55 WeakPolarHBondContact O-CG1 3.14Å; L51-I55 PolarHBondContact O-N 3.18Å; Y52-I55 PolarHBondContact O-N 3.2Å; D53-I55 VanDerWaalsContact C-N 3.32Å; D53-I55 PolarHBondContact O-N 3.42Å; I55-F57 VanDerWaalsContact C-N 3.28Å; I55-F57 PolarHBondContact O-N 2.79Å; I55-I58 PolarHBondContact O-N 3.39Å; I55-V107 HydrophobicContact CD1-CG2 3.88Å; I55-L112 HydrophobicContact CG1-CD1 3.99Å; I55-L112 HydrophobicContact CG1-CD2 4.46Å; I55-Y130 HydrophobicContact CG2-CD1 4.46Å; I55-Y130 HydrophobicContact CG2-CE1 3.71Å; I55-Y130 WeakPolarHBondContact O-CE1 3.36Å; I55-Y130 PolarHBondContact O-OH 2.66Å; I55-L134 HydrophobicContact CD1-CD2 4.15Å; I55-L134 HydrophobicContact CG1-CD1 4.39Å; I55-L138 HydrophobicContact CG2-CD1 3.73Å; I55-L138 HydrophobicContact CG2-CD2 4.14Å; I55-L138 HydrophobicContact CG2-CG 4.42Å
56	A	87.7	Confident	82.3	Confident	22 Å²	22	49.4 Å²	49.4	18%	0.182	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-30	-177.5	0	0	0	0	0	113.3	Y52 D53 I58 A59 L60 F176	Y52-A56 VanDerWaalsContact O-CB 3.31Å; Y52-A56 WeakPolarHBondContact O-CB 3.03Å; Y52-A56 PolarHBondContact O-N 2.91Å; D53-A56 PolarHBondContact O-N 3.46Å; A56-I58 VanDerWaalsContact C-N 3.25Å; A56-I58 PolarHBondContact O-N 2.65Å; A56-A59 PolarHBondContact O-N 3.09Å; A56-L60 PolarHBondContact O-N 2.91Å; A56-F176 HydrophobicContact CB-CD1 4.21Å; A56-F176 HydrophobicContact CB-CE1 3.86Å
57	F	86.6	Confident	82.5	Confident	41 Å²	41	53 Å²	53	18%	0.18	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-35.5	177.2	-169.9	-115.7	0	0	0	112.4	I25 L46 D53 I55 L60 K61	I25-F57 HydrophobicContact CG1-CZ 4.45Å; L46-F57 HydrophobicContact CD1-CB 3.63Å; L46-F57 HydrophobicContact CD1-CD1 3.45Å; L46-F57 VanDerWaalsContact CD1-CD1 3.45Å; L46-F57 HydrophobicContact CD1-CD2 4.42Å; L46-F57 HydrophobicContact CD1-CE1 4.16Å; L46-F57 HydrophobicContact CD1-CG 3.6Å; L46-F57 HydrophobicContact CD2-CD1 4.23Å; L46-F57 HydrophobicContact CD2-CE1 4.38Å; L46-F57 HydrophobicContact CG-CD1 4.49Å; D53-F57 WeakPolarHBondContact O-CB 3.48Å; D53-F57 PolarHBondContact O-N 2.96Å; I55-F57 VanDerWaalsContact C-N 3.28Å; I55-F57 PolarHBondContact O-N 2.79Å; F57-L60 CarbonylContact O-C 3.55Å; F57-L60 PolarHBondContact O-N 3.38Å; F57-L60 VanDerWaalsContact O-N 3.12Å; F57-K61 HydrophobicContact CD1-CD 4.08Å; F57-K61 HydrophobicContact CD1-CG 4.41Å; F57-K61 HydrophobicContact CE1-CD 3.72Å; F57-K61 HydrophobicContact CE1-CG 4.2Å; F57-K61 HydrophobicContact CZ-CD 4.23Å; F57-K61 HydrophobicContact CZ-CG 4.35Å; F57-K61 WeakPolarHBondContact O-CG 3.48Å; F57-K61 PolarHBondContact O-N 2.84Å
58	I	91.6	Very high	83	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-58.7	-52.5	175.4	-61.8	172.4	0	0	0	110.5	I55 A56 L60 K61 S62 S94 A105 L112 Y114 V128 W129 Y130	I55-I58 PolarHBondContact O-N 3.39Å; A56-I58 VanDerWaalsContact C-N 3.25Å; A56-I58 PolarHBondContact O-N 2.65Å; I58-L60 VanDerWaalsContact C-N 3.27Å; I58-L60 PolarHBondContact O-N 3.41Å; I58-K61 PolarHBondContact O-N 3.22Å; I58-S62 PolarHBondContact O-N 3.11Å; I58-S94 WeakPolarHBondContact O-CB 3.25Å; I58-A105 HydrophobicContact CD1-CB 3.63Å; I58-L112 HydrophobicContact CD1-CD2 4.25Å; I58-Y114 HydrophobicContact CD1-CE1 3.94Å; I58-V128 HydrophobicContact CG2-CG1 4.14Å; I58-W129 HydrophobicContact CG2-CE3 4.09Å; I58-W129 HydrophobicContact CG2-CZ3 4.39Å; I58-Y130 HydrophobicContact CB-CE1 3.99Å; I58-Y130 HydrophobicContact CD1-CE1 4.21Å; I58-Y130 HydrophobicContact CG2-CE1 4.22Å
59	A	90.9	Very high	83.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-35.9	173.6	0	0	0	0	0	113	A56 K61 S62 W129 Y130 A172 F176	A56-A59 PolarHBondContact O-N 3.09Å; A59-K61 VanDerWaalsContact C-N 3.34Å; A59-K61 PolarHBondContact O-N 2.91Å; A59-S62 WeakPolarHBondContact O-CB 3.45Å; A59-S62 PolarHBondContact O-N 2.85Å; A59-S62 VanDerWaalsContact O-N 3.16Å; A59-W129 HydrophobicContact CB-CH2 4.15Å; A59-W129 HydrophobicContact CB-CZ3 4.38Å; A59-Y130 HydrophobicContact CB-CE2 4.1Å; A59-Y130 WeakPolarHBondContact CB-OH 3.4Å; A59-Y130 PolarHBondContact N-OH 2.86Å; A59-Y130 VanDerWaalsContact N-OH 3.13Å; A59-A172 HydrophobicContact CB-CB 3.81Å; A59-A172 VanDerWaalsContact O-CB 3.26Å; A59-A172 WeakPolarHBondContact O-CB 3.49Å; A59-F176 HydrophobicContact CB-CD2 3.47Å; A59-F176 VanDerWaalsContact CB-CD2 3.47Å; A59-F176 HydrophobicContact CB-CE2 3.43Å; A59-F176 VanDerWaalsContact CB-CE2 3.43Å; A59-F176 HydrophobicContact CB-CG 4.37Å; A59-F176 HydrophobicContact CB-CZ 4.3Å
60	L	85.9	Confident	84.7	Confident	41 Å²	41	49.4 Å²	49.4	22%	0.215	26%	0.259	C	S	.	.	H	α-helix	trans	-69.7	-26.8	178.6	-97.2	56.8	0	0	0	113.5	A56 F57 I58 F176 R177 F496 L499	A56-L60 PolarHBondContact O-N 2.91Å; F57-L60 CarbonylContact O-C 3.55Å; F57-L60 PolarHBondContact O-N 3.38Å; F57-L60 VanDerWaalsContact O-N 3.12Å; I58-L60 VanDerWaalsContact C-N 3.27Å; I58-L60 PolarHBondContact O-N 3.41Å; L60-F176 HydrophobicContact CD1-CB 3.78Å; L60-F176 HydrophobicContact CD1-CG 4.29Å; L60-R177 PolarHBondContact O-NH1 2.87Å; L60-F496 VanDerWaalsContact O-CE1 3.26Å; L60-F496 WeakPolarHBondContact O-CE1 3.48Å; L60-F496 WeakPolarHBondContact O-CZ 3.29Å; L60-L499 HydrophobicContact CD2-CD1 3.9Å; L60-L499 HydrophobicContact CG-CD1 4.12Å
61	K	88.3	Confident	85.1	Confident	10 Å²	10	52 Å²	52	4%	0.043	27%	0.268	C	S	.	.	H	α-helix	trans	-74.8	-22.3	169.5	-65.3	-177	89	175.5	0	113	D24 F57 I58 A59 T63 R90 L91 V92	D24-K61 WeakPolarHBondContact O-CE 3.48Å; D24-K61 PolarHBondContact O-NZ 3.16Å; F57-K61 HydrophobicContact CD1-CD 4.08Å; F57-K61 HydrophobicContact CD1-CG 4.41Å; F57-K61 HydrophobicContact CE1-CD 3.72Å; F57-K61 HydrophobicContact CE1-CG 4.2Å; F57-K61 HydrophobicContact CZ-CD 4.23Å; F57-K61 HydrophobicContact CZ-CG 4.35Å; F57-K61 WeakPolarHBondContact O-CG 3.48Å; F57-K61 PolarHBondContact O-N 2.84Å; I58-K61 PolarHBondContact O-N 3.22Å; A59-K61 VanDerWaalsContact C-N 3.34Å; A59-K61 PolarHBondContact O-N 2.91Å; K61-T63 PolarHBondContact O-N 3.11Å; K61-R90 PolarHBondContact NZ-O 2.8Å; K61-L91 VanDerWaalsContact NZ-C 3.32Å; K61-L91 PolarHBondContact NZ-O 3.31Å; K61-V92 PolarHBondContact NZ-O 3.12Å
62	S	90.1	Very high	85.5	Confident	5 Å²	5	54.2 Å²	54.2	4%	0.035	28%	0.276	C	S	.	.			trans	-65.8	121.6	-177.6	-157.4	0	0	0	0	112.8	I58 A59 S94 A95 P169	I58-S62 PolarHBondContact O-N 3.11Å; A59-S62 WeakPolarHBondContact O-CB 3.45Å; A59-S62 PolarHBondContact O-N 2.85Å; A59-S62 VanDerWaalsContact O-N 3.16Å; S62-S94 WeakPolarHBondContact CB-OG 3.19Å; S62-S94 PolarHBondContact OG-OG 2.81Å; S62-A95 PolarHBondContact OG-O 2.94Å; S62-P169 WeakPolarHBondContact OG-CD 3.43Å
63	T	88.8	Confident	86	Confident	35 Å²	35	57.5 Å²	57.5	22%	0.215	29%	0.288	C	S	.	.			trans	-151.1	141.6	-176.4	51.7	0	0	0	0	110.9	K61 K65 R96 F496	K61-T63 PolarHBondContact O-N 3.11Å; T63-K65 PolarHBondContact O-N 3.29Å; T63-R96 VanDerWaalsContact O-CD 3.28Å; T63-R96 WeakPolarHBondContact O-CD 3.32Å; T63-R96 VanDerWaalsContact O-CG 3.24Å; T63-R96 WeakPolarHBondContact O-CG 3.27Å; T63-F496 HydrophobicContact CG2-CE2 3.49Å; T63-F496 VanDerWaalsContact CG2-CE2 3.49Å; T63-F496 HydrophobicContact CG2-CZ 3.53Å
64	D	88.1	Confident	86.3	Confident	34 Å²	34	54 Å²	54	18%	0.182	27%	0.269	C	S	.	.	S	Bend	trans	-58.7	-36.4	178.3	-65.2	-42.9	0	0	0	112.7	R96 F164 Q165 F166	D64-R96 WeakPolarHBondContact O-CD 3.36Å; D64-R96 PolarHBondContact O-NH1 2.96Å; D64-F164 VanDerWaalsContact OD2-CA 3.3Å; D64-F164 WeakPolarHBondContact OD2-CA 3.44Å; D64-Q165 HydrophobicContact CB-CB 4.17Å; D64-Q165 PolarHBondContact OD1-N 2.9Å; D64-Q165 PolarHBondContact OD2-N 2.87Å; D64-F166 HydrophobicContact CB-CD2 3.99Å; D64-F166 HydrophobicContact CB-CE2 4.41Å; D64-F166 WeakPolarHBondContact OD1-CD2 3.41Å; D64-F166 PolarHBondContact OD1-N 2.73Å
65	K	84.9	Confident	86.5	Confident	175 Å²	175	57 Å²	57	76%	0.761	29%	0.285	S	S	*	.	S	Bend	trans	-110.5	92.7	-179	-63	-174.3	179.4	-174	0	110.3	T63	T63-K65 PolarHBondContact O-N 3.29Å
66	R	77.9	Confident	86.2	Confident	54 Å²	54	57.5 Å²	57.5	20%	0.204	29%	0.288	C	S	.	.			trans	-68.4	136.1	164.2	-68.9	-156.1	-69.5	-81.7	-7.4	109.6	S94 E100 E125 L127	R66-S94 PolarHBondContact NH1-O 2.98Å; R66-E100 IonicContact CZ-OE1 3.11Å; R66-E100 IonicContact CZ-OE2 2.68Å; R66-E100 IonicContact NH1-OE1 3.7Å; R66-E100 PolarHBondContact NH1-OE1 3.48Å; R66-E100 IonicContact NH1-OE2 2.78Å; R66-E100 PolarHBondContact NH1-OE2 3.35Å; R66-E100 IonicContact NH2-OE1 2.65Å; R66-E100 IonicContact NH2-OE2 3.72Å; R66-E100 PolarHBondContact NH2-OE2 2.9Å; R66-E125 IonicContact CZ-OE2 3.35Å; R66-E125 IonicContact NE-OE1 3.75Å; R66-E125 IonicContact NE-OE2 2.67Å; R66-E125 IonicContact NH2-OE2 2.75Å; R66-E125 PolarHBondContact NH2-OE2 3.4Å; R66-E125 VanDerWaalsContact NH2-OE2 3.11Å; R66-L127 VanDerWaalsContact CZ-CD2 3.45Å; R66-L127 VanDerWaalsContact NH2-CD1 3.26Å
67	T	73	Confident	85.8	Confident	95 Å²	95	60.2 Å²	60.2	58%	0.583	31%	0.306	S	S	*	.			trans	-128.9	107.8	167.4	47.6	0	0	0	0	107	F26 P69	F26-T67 WeakPolarHBondContact CD1-O 3.04Å; T67-P69 VanDerWaalsContact O-CD 3.31Å; T67-P69 WeakPolarHBondContact O-CD 3.19Å
68	A	73.7	Confident	84.9	Confident	41 Å²	41	61.5 Å²	61.5	34%	0.339	32%	0.324	S	S	.	.			trans	-119.2	82.1	-174.6	0	0	0	0	0	110.3	F26 S28 Y70	F26-A68 WeakPolarHBondContact O-CA 3.3Å; S28-A68 WeakPolarHBondContact OG-CB 3.44Å; A68-Y70 PolarHBondContact O-N 3.44Å
69	P	77.2	Confident	83.4	Confident	90 Å²	90	62.2 Å²	62.2	58%	0.584	33%	0.331	S	S	*	.			trans	-65.8	-16.1	175.3	27.3	-36.2	0	0	0	113.6	F26 T67	F26-P69 HydrophobicContact CB-CG 4.05Å; F26-P69 WeakPolarHBondContact O-CD 3.46Å; T67-P69 VanDerWaalsContact O-CD 3.31Å; T67-P69 WeakPolarHBondContact O-CD 3.19Å
70	Y	86.9	Confident	81.7	Confident	126 Å²	126	68.1 Å²	68.1	49%	0.494	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137	178.7	-52.6	-66.1	0	0	0	111.3	T23 F26 T27 S28 A68	T23-Y70 HydrophobicContact CG2-CD2 4.37Å; F26-Y70 HydrophobicContact CB-CD2 4.14Å; F26-Y70 HydrophobicContact CB-CE2 4.38Å; F26-Y70 PolarHBondContact O-N 3.19Å; T27-Y70 CarbonylContact C-O 3.6Å; T27-Y70 WeakPolarHBondContact CA-O 3.24Å; S28-Y70 PolarHBondContact N-O 3.36Å; A68-Y70 PolarHBondContact O-N 3.44Å
71	I	90.5	Very high	80.3	Confident	107 Å²	107	72 Å²	72	55%	0.549	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.3	176.4	-66.3	174.1	0	0	0	107.9	Y30 R73	Y30-I71 HydrophobicContact CD2-CG2 3.71Å; Y30-I71 HydrophobicContact CE2-CG1 4.32Å; Y30-I71 HydrophobicContact CE2-CG2 4.28Å; Y30-I71 HydrophobicContact CG-CG2 4.31Å; I71-R73 HydrophobicContact CG2-CG 4.25Å
72	F	92.1	Very high	79	Confident	88 Å²	88	75.9 Å²	75.9	39%	0.386	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.6	171.9	-172.8	-91.3	0	0	0	109.5	T27 S28 V29 Y30 V74 W88 L91	T27-F72 HydrophobicContact CG2-CB 3.61Å; S28-F72 PolarHBondContact O-N 2.86Å; V29-F72 CarbonylContact C-O 3.58Å; V29-F72 WeakPolarHBondContact CA-O 3.32Å; V29-F72 HydrophobicContact CG1-CD1 4.46Å; Y30-F72 PolarHBondContact N-O 2.79Å; F72-V74 HydrophobicContact CD1-CB 4.31Å; F72-V74 HydrophobicContact CE1-CB 4.03Å; F72-W88 HydrophobicContact CD1-CB 4.1Å; F72-W88 HydrophobicContact CE1-CB 3.57Å; F72-W88 HydrophobicContact CE1-CG 4.36Å; F72-W88 HydrophobicContact CZ-CB 4.24Å; F72-L91 HydrophobicContact CB-CD1 4.11Å; F72-L91 HydrophobicContact CD1-CD1 4.11Å; F72-L91 HydrophobicContact CD2-CD1 3.94Å; F72-L91 HydrophobicContact CE2-CD1 4.41Å; F72-L91 HydrophobicContact CG-CD1 3.78Å
73	R	92.9	Very high	77.6	Confident	141 Å²	141	80.5 Å²	80.5	53%	0.532	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.4	179	-78.6	172.9	169.1	-95.4	-13	109.7	Y30 T32 I71 D123	Y30-R73 WeakPolarHBondContact O-CA 3.32Å; T32-R73 HydrophobicContact CG2-CB 3.8Å; T32-R73 HydrophobicContact CG2-CG 4.4Å; I71-R73 HydrophobicContact CG2-CG 4.25Å; R73-D123 IonicContact CZ-OD1 3.06Å; R73-D123 IonicContact NH1-OD1 3Å; R73-D123 PolarHBondContact NH1-OD1 2.83Å; R73-D123 IonicContact NH2-OD1 2.68Å; R73-D123 PolarHBondContact NH2-OD1 3.42Å
74	V	90.9	Very high	76.3	Confident	10 Å²	10	85 Å²	85	6%	0.061	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.3	-175.9	62.9	0	0	0	0	112.1	V29 Y30 T31 T32 F72 T76 W88 L126	V29-V74 HydrophobicContact CG1-CB 4.44Å; V29-V74 HydrophobicContact CG1-CG1 3.61Å; Y30-V74 PolarHBondContact O-N 3.32Å; T31-V74 WeakPolarHBondContact CA-O 3.42Å; T32-V74 PolarHBondContact N-O 3.26Å; T32-V74 PolarHBondContact OG1-O 3.06Å; F72-V74 HydrophobicContact CD1-CB 4.31Å; F72-V74 HydrophobicContact CE1-CB 4.03Å; V74-T76 HydrophobicContact CG1-CG2 4.22Å; V74-W88 HydrophobicContact CG1-CD2 4.48Å; V74-W88 HydrophobicContact CG1-CE3 4.34Å; V74-W88 HydrophobicContact CG1-CZ3 4.42Å; V74-W88 HydrophobicContact CG2-CD2 3.95Å; V74-W88 HydrophobicContact CG2-CG 4.05Å; V74-W88 HydrophobicContact CG2-CZ2 4.29Å; V74-L126 HydrophobicContact CG1-CD1 4.22Å
75	D	88.8	Confident	75.3	Confident	73 Å²	73	85.1 Å²	85.1	39%	0.39	48%	0.478	S	S	.	.			trans	-90.3	102.6	164.9	-172.3	-25	0	0	0	109	T32 S77 A78	T32-D75 VanDerWaalsContact OG1-CA 3.31Å; T32-D75 WeakPolarHBondContact OG1-CA 3.3Å; T32-D75 PolarHBondContact OG1-N 2.94Å; D75-S77 VanDerWaalsContact C-N 3.29Å; D75-S77 PolarHBondContact O-N 2.96Å; D75-S77 WeakPolarHBondContact OD1-CA 3.46Å; D75-S77 VanDerWaalsContact OD1-CB 3.3Å; D75-S77 WeakPolarHBondContact OD1-CB 3.35Å; D75-S77 PolarHBondContact OD1-N 2.82Å; D75-S77 PolarHBondContact OD1-OG 3.07Å; D75-A78 HydrophobicContact CB-CB 4.35Å; D75-A78 PolarHBondContact OD1-N 2.7Å
76	T	84.2	Confident	74.9	Confident	15 Å²	15	78 Å²	78	9%	0.092	45%	0.448	C	S	.	.	S	Bend	trans	-74	-17	178.4	42.6	0	0	0	0	113.8	C33 I35 F41 V74 A78 W88	C33-T76 PolarHBondContact SG-OG1 2.92Å; I35-T76 HydrophobicContact CD1-CG2 3.89Å; I35-T76 HydrophobicContact CG1-CG2 4.25Å; I35-T76 VanDerWaalsContact CG1-OG1 3.3Å; I35-T76 WeakPolarHBondContact CG1-OG1 3.37Å; F41-T76 HydrophobicContact CE1-CG2 3.7Å; F41-T76 HydrophobicContact CZ-CG2 3.77Å; V74-T76 HydrophobicContact CG1-CG2 4.22Å; T76-A78 VanDerWaalsContact C-N 3.32Å; T76-W88 HydrophobicContact CG2-CH2 4.02Å; T76-W88 HydrophobicContact CG2-CZ2 4.03Å
77	S	79.3	Confident	75.1	Confident	79 Å²	79	78.5 Å²	78.5	55%	0.552	45%	0.453	S	S	*	.	S	Bend	trans	-73.5	-28.9	176.3	77.8	0	0	0	0	112	D75 N80	D75-S77 VanDerWaalsContact C-N 3.29Å; D75-S77 PolarHBondContact O-N 2.96Å; D75-S77 WeakPolarHBondContact OD1-CA 3.46Å; D75-S77 VanDerWaalsContact OD1-CB 3.3Å; D75-S77 WeakPolarHBondContact OD1-CB 3.35Å; D75-S77 PolarHBondContact OD1-N 2.82Å; D75-S77 PolarHBondContact OD1-OG 3.07Å; S77-N80 PolarHBondContact O-ND2 2.82Å
78	A	67.2	Low	75.8	Confident	69 Å²	69	74.6 Å²	74.6	57%	0.57	43%	0.428	S	S	*	.	S	Bend	trans	-89	-2.6	177.6	0	0	0	0	0	114.5	D75 T76 N80	D75-A78 HydrophobicContact CB-CB 4.35Å; D75-A78 PolarHBondContact OD1-N 2.7Å; T76-A78 VanDerWaalsContact C-N 3.32Å; A78-N80 PolarHBondContact O-N 2.74Å
79	A	60.6	Low	76.6	Confident	19 Å²	19	72.7 Å²	72.7	16%	0.157	41%	0.412	C	S	.	.			trans	-71.5	20.4	-169.9	0	0	0	0	0	116	L86	A79-L86 HydrophobicContact CB-CD2 4.39Å
80	N	54.7	Low	77	Confident	123 Å²	123	70.4 Å²	70.4	66%	0.658	39%	0.392	S	S	*	.			trans	-93.1	134.7	-171.6	-60.7	-38.6	0	0	0	111.9	S77 A78	S77-N80 PolarHBondContact O-ND2 2.82Å; A78-N80 PolarHBondContact O-N 2.74Å
81	S	55.2	Low	77.2	Confident	123 Å²	123	65.2 Å²	65.2	86%	0.86	37%	0.373	S	S	*	.	S	Bend	trans	89	-0.1	160.7	80.7	0	0	0	0	122.2
82	T	61.2	Low	77.3	Confident	91 Å²	91	60.2 Å²	60.2	56%	0.558	35%	0.347	S	S	*	.			trans	-138.7	141.7	171	24.6	0	0	0	0	115.1	E84 G85	T82-E84 VanDerWaalsContact C-N 3.26Å; T82-E84 PolarHBondContact O-N 3.36Å; T82-G85 PolarHBondContact O-N 3.29Å
83	S	62	Low	77.4	Confident	102 Å²	102	56.5 Å²	56.5	71%	0.713	33%	0.331	S	S	*	.	S	Bend	trans	-58.8	-36.8	174.9	-166.9	0	0	0	0	112.2	G85 L86	S83-G85 VanDerWaalsContact C-N 3.33Å; S83-G85 PolarHBondContact O-N 2.81Å; S83-L86 PolarHBondContact O-N 2.97Å
84	E	61.5	Low	77.5	Confident	130 Å²	130	49.9 Å²	49.9	61%	0.607	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-57.1	-44.1	173.1	-150.4	74.1	-146	0	0	111.7	T82 L86 M87	T82-E84 VanDerWaalsContact C-N 3.26Å; T82-E84 PolarHBondContact O-N 3.36Å; E84-L86 PolarHBondContact O-N 3.21Å; E84-M87 HydrophobicContact CG-CE 4.07Å; E84-M87 WeakPolarHBondContact O-CG 3.37Å; E84-M87 PolarHBondContact O-N 2.75Å; E84-M87 WeakPolarHBondContact OE1-CE 3.45Å
85	G	66.1	Low	77.7	Confident	37 Å²	37	49.4 Å²	49.4	38%	0.381	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-70.9	-10.6	-177.7	0	0	0	0	0	114.9	T82 S83 W88	T82-G85 PolarHBondContact O-N 3.29Å; S83-G85 VanDerWaalsContact C-N 3.33Å; S83-G85 PolarHBondContact O-N 2.81Å; G85-W88 PolarHBondContact O-NE1 2.89Å
86	L	77.6	Confident	78	Confident	26 Å²	26	48.6 Å²	48.6	14%	0.136	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-104.3	2.5	177.9	-65	179.5	0	0	0	113.4	G42 A79 S83 E84 W88 L89	G42-L86 VanDerWaalsContact O-CD1 3.29Å; G42-L86 WeakPolarHBondContact O-CD1 3.26Å; A79-L86 HydrophobicContact CB-CD2 4.39Å; S83-L86 PolarHBondContact O-N 2.97Å; E84-L86 PolarHBondContact O-N 3.21Å; L86-W88 PolarHBondContact O-N 3.29Å; L86-W88 VanDerWaalsContact O-N 3.11Å; L86-L89 HydrophobicContact CB-CD1 4.13Å; L86-L89 HydrophobicContact CD2-CD1 4.32Å; L86-L89 WeakPolarHBondContact O-CB 3.38Å; L86-L89 WeakPolarHBondContact O-CG 3.5Å; L86-L89 PolarHBondContact O-N 3.16Å
87	M	80.9	Confident	78.5	Confident	64 Å²	64	49.2 Å²	49.2	32%	0.315	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-57.6	-28.5	-179.9	-73	-159.2	-69.9	0	0	113.5	E84 L89 R90	E84-M87 HydrophobicContact CG-CE 4.07Å; E84-M87 WeakPolarHBondContact O-CG 3.37Å; E84-M87 PolarHBondContact O-N 2.75Å; E84-M87 WeakPolarHBondContact OE1-CE 3.45Å; M87-L89 PolarHBondContact O-N 3.36Å; M87-L89 VanDerWaalsContact O-N 3.12Å; M87-R90 VanDerWaalsContact CG-NH2 3.32Å; M87-R90 VanDerWaalsContact O-CG 3.29Å; M87-R90 WeakPolarHBondContact O-CG 3.16Å; M87-R90 PolarHBondContact O-N 3.31Å; M87-R90 PolarHBondContact O-NE 3.36Å; M87-R90 PolarHBondContact SD-NH2 3.16Å; M87-R90 VanDerWaalsContact SD-NH2 3.37Å
88	W	87.8	Confident	79.1	Confident	13 Å²	13	52.8 Å²	52.8	5%	0.049	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-59	-20.9	177.3	67.2	-95.9	0	0	0	113.9	V29 F41 F72 V74 T76 G85 L86 R90 L91 V92 L126	V29-W88 HydrophobicContact CG1-CE3 3.89Å; V29-W88 HydrophobicContact CG1-CZ3 4.2Å; F41-W88 HydrophobicContact CB-CH2 4.5Å; F41-W88 HydrophobicContact CD1-CH2 4.3Å; F41-W88 HydrophobicContact CD1-CZ2 4.12Å; F41-W88 HydrophobicContact CD2-CH2 4.33Å; F41-W88 HydrophobicContact CG-CH2 4.12Å; F41-W88 HydrophobicContact CG-CZ2 4.27Å; F72-W88 HydrophobicContact CD1-CB 4.1Å; F72-W88 HydrophobicContact CE1-CB 3.57Å; F72-W88 HydrophobicContact CE1-CG 4.36Å; F72-W88 HydrophobicContact CZ-CB 4.24Å; V74-W88 HydrophobicContact CG1-CD2 4.48Å; V74-W88 HydrophobicContact CG1-CE3 4.34Å; V74-W88 HydrophobicContact CG1-CZ3 4.42Å; V74-W88 HydrophobicContact CG2-CD2 3.95Å; V74-W88 HydrophobicContact CG2-CG 4.05Å; V74-W88 HydrophobicContact CG2-CZ2 4.29Å; T76-W88 HydrophobicContact CG2-CH2 4.02Å; T76-W88 HydrophobicContact CG2-CZ2 4.03Å; G85-W88 PolarHBondContact O-NE1 2.89Å; L86-W88 PolarHBondContact O-N 3.29Å; L86-W88 VanDerWaalsContact O-N 3.11Å; W88-R90 PolarHBondContact O-N 2.87Å; W88-R90 VanDerWaalsContact O-N 3.15Å; W88-L91 HydrophobicContact CB-CD1 4.35Å; W88-L91 VanDerWaalsContact O-CB 3.27Å; W88-L91 WeakPolarHBondContact O-CB 3.27Å; W88-L91 PolarHBondContact O-N 3.46Å; W88-V92 HydrophobicContact CE3-CG2 3.7Å; W88-V92 HydrophobicContact CZ3-CG2 3.6Å; W88-V92 PolarHBondContact O-N 2.85Å; W88-L126 HydrophobicContact CH2-CD1 3.98Å; W88-L126 HydrophobicContact CZ3-CD1 3.61Å
89	L	90.1	Very high	80.4	Confident	1 Å²	1	57 Å²	57	1%	0.005	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-60.6	-23.8	176.9	-66.9	171.5	0	0	0	113	F41 C44 L86 M87 L91 V92 Y114	F41-L89 HydrophobicContact CB-CD1 4.22Å; F41-L89 HydrophobicContact CB-CD2 3.74Å; C44-L89 HydrophobicContact CB-CB 4.04Å; C44-L89 HydrophobicContact CB-CD1 4.05Å; L86-L89 HydrophobicContact CB-CD1 4.13Å; L86-L89 HydrophobicContact CD2-CD1 4.32Å; L86-L89 WeakPolarHBondContact O-CB 3.38Å; L86-L89 WeakPolarHBondContact O-CG 3.5Å; L86-L89 PolarHBondContact O-N 3.16Å; M87-L89 PolarHBondContact O-N 3.36Å; M87-L89 VanDerWaalsContact O-N 3.12Å; L89-L91 VanDerWaalsContact C-N 3.32Å; L89-V92 HydrophobicContact CD2-CG2 4.49Å; L89-Y114 HydrophobicContact CB-CE2 4.32Å; L89-Y114 HydrophobicContact CD2-CD2 3.69Å; L89-Y114 HydrophobicContact CD2-CE2 4.15Å
90	R	87.4	Confident	82.1	Confident	41 Å²	41	57.7 Å²	57.7	16%	0.155	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-71.2	-27.3	172.3	82.1	-171.5	63.6	163.9	-6.9	113.5	D24 L46 K61 M87 W88	D24-R90 HydrophobicContact CB-CG 4.44Å; D24-R90 WeakPolarHBondContact OD2-CD 3.49Å; L46-R90 HydrophobicContact CD2-CB 3.44Å; L46-R90 VanDerWaalsContact CD2-CB 3.44Å; K61-R90 PolarHBondContact NZ-O 2.8Å; M87-R90 VanDerWaalsContact CG-NH2 3.32Å; M87-R90 VanDerWaalsContact O-CG 3.29Å; M87-R90 WeakPolarHBondContact O-CG 3.16Å; M87-R90 PolarHBondContact O-N 3.31Å; M87-R90 PolarHBondContact O-NE 3.36Å; M87-R90 PolarHBondContact SD-NH2 3.16Å; M87-R90 VanDerWaalsContact SD-NH2 3.37Å; W88-R90 PolarHBondContact O-N 2.87Å; W88-R90 VanDerWaalsContact O-N 3.15Å
91	L	90.4	Very high	84.1	Confident	18 Å²	18	52.9 Å²	52.9	9%	0.094	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-31.5	-176.7	-52.1	177.1	0	0	0	110.8	D24 T27 V29 K61 F72 W88 L89 Q93	D24-L91 HydrophobicContact CB-CD2 3.97Å; D24-L91 WeakPolarHBondContact OD1-CD2 3.4Å; T27-L91 HydrophobicContact CG2-CB 4.21Å; T27-L91 HydrophobicContact CG2-CD1 4.26Å; T27-L91 VanDerWaalsContact O-O 3.04Å; V29-L91 HydrophobicContact CG2-CB 3.48Å; V29-L91 VanDerWaalsContact CG2-CB 3.48Å; K61-L91 VanDerWaalsContact NZ-C 3.32Å; K61-L91 PolarHBondContact NZ-O 3.31Å; F72-L91 HydrophobicContact CB-CD1 4.11Å; F72-L91 HydrophobicContact CD1-CD1 4.11Å; F72-L91 HydrophobicContact CD2-CD1 3.94Å; F72-L91 HydrophobicContact CE2-CD1 4.41Å; F72-L91 HydrophobicContact CG-CD1 3.78Å; W88-L91 HydrophobicContact CB-CD1 4.35Å; W88-L91 VanDerWaalsContact O-CB 3.27Å; W88-L91 WeakPolarHBondContact O-CB 3.27Å; W88-L91 PolarHBondContact O-N 3.46Å; L89-L91 VanDerWaalsContact C-N 3.32Å; L91-Q93 PolarHBondContact O-N 3.29Å; L91-Q93 PolarHBondContact O-NE2 3.36Å
92	V	93.2	Very high	86.1	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.012	24%	0.244	C	C	.	.			trans	-45.2	130.9	177.6	178.1	0	0	0	0	110.6	V29 K61 W88 L89 L103 Y114 L126 V128	V29-V92 HydrophobicContact CB-CG2 4.36Å; V29-V92 HydrophobicContact CG2-CG2 4.13Å; K61-V92 PolarHBondContact NZ-O 3.12Å; W88-V92 HydrophobicContact CE3-CG2 3.7Å; W88-V92 HydrophobicContact CZ3-CG2 3.6Å; W88-V92 PolarHBondContact O-N 2.85Å; L89-V92 HydrophobicContact CD2-CG2 4.49Å; V92-L103 HydrophobicContact CG1-CD1 3.99Å; V92-Y114 HydrophobicContact CB-CE2 4.03Å; V92-Y114 HydrophobicContact CG1-CD2 4.43Å; V92-Y114 HydrophobicContact CG1-CE2 4.06Å; V92-Y114 HydrophobicContact CG2-CE2 4.25Å; V92-L126 HydrophobicContact CG1-CB 4.39Å; V92-L126 WeakPolarHBondContact CG1-O 3.28Å; V92-V128 HydrophobicContact CG1-CB 3.92Å; V92-V128 HydrophobicContact CG1-CG1 3.8Å
93	Q	93.8	Very high	87.9	Confident	9 Å²	9	42.8 Å²	42.8	4%	0.042	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	154.9	-172.9	-73.1	-62.4	-24.8	0	0	111.7	D24 I25 T27 L91 L127 V128	D24-Q93 PolarHBondContact O-NE2 3.48Å; I25-Q93 PolarHBondContact O-NE2 2.96Å; T27-Q93 WeakPolarHBondContact O-CG 3.23Å; T27-Q93 PolarHBondContact O-NE2 3.04Å; L91-Q93 PolarHBondContact O-N 3.29Å; L91-Q93 PolarHBondContact O-NE2 3.36Å; Q93-L127 HydrophobicContact CB-CD2 3.82Å; Q93-L127 WeakPolarHBondContact O-CA 3.49Å; Q93-V128 PolarHBondContact O-N 3.03Å
94	S	94.5	Very high	89.5	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	134	171.8	-178.1	0	0	0	0	109.8	I58 S62 R66 V128	I58-S94 WeakPolarHBondContact O-CB 3.25Å; S62-S94 WeakPolarHBondContact CB-OG 3.19Å; S62-S94 PolarHBondContact OG-OG 2.81Å; R66-S94 PolarHBondContact NH1-O 2.98Å; S94-V128 WeakPolarHBondContact CA-O 3.26Å
95	A	96.2	Very high	91.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-61.4	157.1	159.5	0	0	0	0	0	110.3	S62 E100 Q101 L127 V128 W129 F168	S62-A95 PolarHBondContact OG-O 2.94Å; A95-E100 HydrophobicContact CB-CG 4.14Å; A95-Q101 HydrophobicContact CB-CB 3.94Å; A95-Q101 HydrophobicContact CB-CG 4.2Å; A95-L127 HydrophobicContact CB-CB 4.19Å; A95-V128 PolarHBondContact N-O 3.41Å; A95-W129 HydrophobicContact CB-CB 4.34Å; A95-F168 HydrophobicContact CB-CD2 3.99Å; A95-F168 HydrophobicContact CB-CE2 4.04Å
96	R	94.4	Very high	92.6	Very high	56 Å²	56	32.5 Å²	32.5	21%	0.211	15%	0.147	C	C	.	.	S	Bend	trans	-104.1	-33.2	176.9	-61.8	170.5	-68.2	170.8	1.6	111.7	T63 D64 E100 F166 E167 F168 P169	T63-R96 VanDerWaalsContact O-CD 3.28Å; T63-R96 WeakPolarHBondContact O-CD 3.32Å; T63-R96 VanDerWaalsContact O-CG 3.24Å; T63-R96 WeakPolarHBondContact O-CG 3.27Å; D64-R96 WeakPolarHBondContact O-CD 3.36Å; D64-R96 PolarHBondContact O-NH1 2.96Å; R96-E100 WeakPolarHBondContact CB-OE1 3.44Å; R96-E100 VanDerWaalsContact CG-OE1 3.25Å; R96-E100 WeakPolarHBondContact CG-OE1 3.5Å; R96-E100 IonicContact CZ-OE1 3.78Å; R96-E100 IonicContact CZ-OE2 3.14Å; R96-E100 PolarHBondContact N-OE1 2.92Å; R96-E100 IonicContact NE-OE1 2.88Å; R96-E100 PolarHBondContact NE-OE1 2.8Å; R96-E100 IonicContact NE-OE2 3.14Å; R96-E100 PolarHBondContact NE-OE2 3.23Å; R96-E100 IonicContact NH2-OE1 3.79Å; R96-E100 IonicContact NH2-OE2 2.72Å; R96-E100 PolarHBondContact NH2-OE2 3.43Å; R96-F166 HydrophobicContact CB-CB 3.7Å; R96-F166 HydrophobicContact CB-CD1 4.01Å; R96-F166 HydrophobicContact CB-CD2 4.08Å; R96-F166 HydrophobicContact CB-CG 3.68Å; R96-F166 VanDerWaalsContact O-CB 3.32Å; R96-F166 WeakPolarHBondContact O-CB 3.18Å; R96-E167 PolarHBondContact O-N 3.48Å; R96-F168 VanDerWaalsContact O-CB 3.26Å; R96-F168 WeakPolarHBondContact O-CB 3.24Å; R96-F168 WeakPolarHBondContact O-CG 3.41Å; R96-F168 PolarHBondContact O-N 2.86Å; R96-P169 HydrophobicContact CB-CG 4.33Å; R96-P169 HydrophobicContact CG-CG 4.4Å; R96-P169 VanDerWaalsContact O-CD 3.27Å; R96-P169 WeakPolarHBondContact O-CD 3.26Å
97	D	94.1	Very high	93.3	Very high	29 Å²	29	33.1 Å²	33.1	16%	0.155	15%	0.152	C	C	.	.	S	Bend	trans	-140.4	178.7	178.1	61.2	33.7	0	0	0	110.3	E99 E100 F166 F168	D97-E99 VanDerWaalsContact C-N 3.33Å; D97-E99 WeakPolarHBondContact CB-OE2 3.24Å; D97-E99 WeakPolarHBondContact OD1-CB 3.02Å; D97-E99 PolarHBondContact OD1-N 3.18Å; D97-E100 WeakPolarHBondContact OD1-CG 3.41Å; D97-E100 PolarHBondContact OD1-N 2.89Å; D97-F166 HydrophobicContact CB-CD1 4.12Å; D97-F166 WeakPolarHBondContact OD2-CD1 3.26Å; D97-F166 VanDerWaalsContact OD2-CE1 3.32Å; D97-F166 WeakPolarHBondContact OD2-CE1 3.48Å; D97-F168 WeakPolarHBondContact O-CE2 3.46Å
98	K	93	Very high	93.8	Very high	154 Å²	154	35.5 Å²	35.5	67%	0.67	16%	0.16	S	C	*	.	S	Bend	trans	-79.4	-24.2	-176.7	-173	-174.7	172.4	-166.1	0	111.4	Q101 F168	K98-Q101 PolarHBondContact O-N 3.36Å; K98-F168 HydrophobicContact CB-CZ 4.1Å
99	E	94.6	Very high	93.9	Very high	157 Å²	157	39.8 Å²	39.8	73%	0.734	19%	0.185	S	C	*	.	S	Bend	trans	-70	-38.4	-176.5	-68.4	68.1	-162.4	0	0	111.6	D97	D97-E99 VanDerWaalsContact C-N 3.33Å; D97-E99 WeakPolarHBondContact CB-OE2 3.24Å; D97-E99 WeakPolarHBondContact OD1-CB 3.02Å; D97-E99 PolarHBondContact OD1-N 3.18Å
100	E	95	Very high	93.7	Very high	33 Å²	33	42.2 Å²	42.2	15%	0.154	21%	0.209	C	C	.	.	S	Bend	trans	-91.2	-8.4	172.9	78.5	179.2	178.2	0	0	114.4	R66 A95 R96 D97 N102 L127	R66-E100 IonicContact CZ-OE1 3.11Å; R66-E100 IonicContact CZ-OE2 2.68Å; R66-E100 IonicContact NH1-OE1 3.7Å; R66-E100 PolarHBondContact NH1-OE1 3.48Å; R66-E100 IonicContact NH1-OE2 2.78Å; R66-E100 PolarHBondContact NH1-OE2 3.35Å; R66-E100 IonicContact NH2-OE1 2.65Å; R66-E100 IonicContact NH2-OE2 3.72Å; R66-E100 PolarHBondContact NH2-OE2 2.9Å; A95-E100 HydrophobicContact CB-CG 4.14Å; R96-E100 WeakPolarHBondContact CB-OE1 3.44Å; R96-E100 VanDerWaalsContact CG-OE1 3.25Å; R96-E100 WeakPolarHBondContact CG-OE1 3.5Å; R96-E100 IonicContact CZ-OE1 3.78Å; R96-E100 IonicContact CZ-OE2 3.14Å; R96-E100 PolarHBondContact N-OE1 2.92Å; R96-E100 IonicContact NE-OE1 2.88Å; R96-E100 PolarHBondContact NE-OE1 2.8Å; R96-E100 IonicContact NE-OE2 3.14Å; R96-E100 PolarHBondContact NE-OE2 3.23Å; R96-E100 IonicContact NH2-OE1 3.79Å; R96-E100 IonicContact NH2-OE2 2.72Å; R96-E100 PolarHBondContact NH2-OE2 3.43Å; D97-E100 WeakPolarHBondContact OD1-CG 3.41Å; D97-E100 PolarHBondContact OD1-N 2.89Å; E100-N102 PolarHBondContact O-N 3.44Å; E100-L127 HydrophobicContact CB-CD1 4Å; E100-L127 HydrophobicContact CG-CD1 3.81Å
101	Q	97.2	Very high	93.8	Very high	23 Å²	23	44.5 Å²	44.5	11%	0.107	22%	0.222	C	C	.	.			trans	-68.5	118.6	-179.2	-170.7	-169.3	-9.5	0	0	111.2	A95 K98 L103 L117 W129 F168	A95-Q101 HydrophobicContact CB-CB 3.94Å; A95-Q101 HydrophobicContact CB-CG 4.2Å; K98-Q101 PolarHBondContact O-N 3.36Å; Q101-L103 VanDerWaalsContact CG-O 3.3Å; Q101-L103 WeakPolarHBondContact CG-O 3.49Å; Q101-L103 PolarHBondContact NE2-O 2.75Å; Q101-L117 HydrophobicContact CG-CD1 3.84Å; Q101-W129 HydrophobicContact CG-CB 4.05Å; Q101-F168 HydrophobicContact CB-CE2 4.37Å
102	N	97.7	Very high	93.8	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.011	22%	0.218	C	C	.	.			trans	-118.3	-13.6	174.9	63.8	14.2	0	0	0	114.2	E100 S116 L117 R118 I120 E125 L127	E100-N102 PolarHBondContact O-N 3.44Å; N102-S116 WeakPolarHBondContact O-CA 3.26Å; N102-L117 PolarHBondContact O-N 3.42Å; N102-R118 HydrophobicContact CB-CG 4.49Å; N102-I120 HydrophobicContact CB-CD1 3.8Å; N102-I120 HydrophobicContact CB-CG1 4Å; N102-E125 PolarHBondContact ND2-O 2.82Å; N102-L127 PolarHBondContact N-O 3.15Å; N102-L127 PolarHBondContact OD1-N 3.35Å; N102-L127 PolarHBondContact OD1-O 3.01Å
103	L	97.9	Very high	93.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	143	168.8	-60.9	180	0	0	0	112	F41 V92 Q101 Y114 R115 I120 L126 L127 V128 W129	F41-L103 HydrophobicContact CD2-CD2 4.39Å; F41-L103 HydrophobicContact CE2-CD2 4.19Å; V92-L103 HydrophobicContact CG1-CD1 3.99Å; Q101-L103 VanDerWaalsContact CG-O 3.3Å; Q101-L103 WeakPolarHBondContact CG-O 3.49Å; Q101-L103 PolarHBondContact NE2-O 2.75Å; L103-Y114 HydrophobicContact CD1-CD2 4.16Å; L103-R115 CarbonylContact C-O 3.6Å; L103-R115 WeakPolarHBondContact CA-O 3.22Å; L103-I120 HydrophobicContact CD2-CD1 3.98Å; L103-L126 HydrophobicContact CD1-CB 4.02Å; L103-L127 PolarHBondContact N-O 2.79Å; L103-V128 HydrophobicContact CB-CB 3.92Å; L103-V128 HydrophobicContact CB-CG2 3.9Å; L103-V128 WeakPolarHBondContact O-CA 3.36Å; L103-W129 PolarHBondContact O-N 3.42Å; L103-W129 VanDerWaalsContact O-N 3.15Å
104	E	97.1	Very high	93.9	Very high	27 Å²	27	45.1 Å²	45.1	13%	0.126	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.6	164	67.6	175.3	150.4	0	0	111.9	Y114 R115 L117 W129 G131	E104-Y114 CarbonylContact O-C 3.47Å; E104-Y114 VanDerWaalsContact O-CA 3.26Å; E104-Y114 WeakPolarHBondContact O-CA 3.45Å; E104-R115 VanDerWaalsContact CD-NH2 3.34Å; E104-R115 HydrophobicContact CG-CB 4.07Å; E104-R115 PolarHBondContact N-O 2.73Å; E104-R115 PolarHBondContact O-N 2.94Å; E104-R115 IonicContact OE1-CZ 3.03Å; E104-R115 IonicContact OE1-NE 3.33Å; E104-R115 PolarHBondContact OE1-NE 3.46Å; E104-R115 IonicContact OE1-NH2 2.84Å; E104-R115 PolarHBondContact OE1-NH2 2.98Å; E104-R115 IonicContact OE2-NH2 3.62Å; E104-L117 HydrophobicContact CB-CD1 4.24Å; E104-L117 HydrophobicContact CB-CD2 3.94Å; E104-L117 HydrophobicContact CB-CG 4.1Å; E104-L117 HydrophobicContact CG-CD2 3.76Å; E104-L117 HydrophobicContact CG-CG 4.22Å; E104-W129 CarbonylContact C-O 3.54Å; E104-W129 VanDerWaalsContact CA-O 3.31Å; E104-W129 WeakPolarHBondContact CA-O 3.31Å; E104-G131 VanDerWaalsContact OE2-CA 3.32Å; E104-G131 WeakPolarHBondContact OE2-CA 3.26Å
105	A	96.6	Very high	94	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.2	172.3	0	0	0	0	0	110.6	I58 L112 F113 Y114 V128 W129 G131 L134	I58-A105 HydrophobicContact CD1-CB 3.63Å; A105-L112 HydrophobicContact CB-CD1 4.25Å; A105-F113 WeakPolarHBondContact CA-O 3.4Å; A105-Y114 HydrophobicContact CB-CD1 3.73Å; A105-Y114 HydrophobicContact CB-CE1 3.72Å; A105-V128 HydrophobicContact CB-CG2 3.86Å; A105-W129 PolarHBondContact N-O 2.9Å; A105-G131 PolarHBondContact O-N 3.38Å; A105-L134 WeakPolarHBondContact O-CD1 3.46Å
106	Y	95.1	Very high	94	Very high	26 Å²	26	48.3 Å²	48.3	10%	0.102	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.9	179.8	70.8	-77	0	0	0	111	I40 K108 F113 R115	I40-Y106 VanDerWaalsContact CG2-OH 3.29Å; I40-Y106 WeakPolarHBondContact CG2-OH 3.39Å; Y106-K108 HydrophobicContact CD2-CB 4.48Å; Y106-K108 HydrophobicContact CE2-CB 4.09Å; Y106-K108 HydrophobicContact CE2-CD 4.49Å; Y106-F113 HydrophobicContact CD1-CB 4.18Å; Y106-F113 VanDerWaalsContact CD1-O 3.29Å; Y106-F113 WeakPolarHBondContact CD1-O 3.45Å; Y106-F113 HydrophobicContact CE1-CB 3.54Å; Y106-F113 HydrophobicContact CE2-CB 4.09Å; Y106-F113 VanDerWaalsContact CZ-CB 3.5Å; Y106-F113 PolarHBondContact N-O 3.44Å; Y106-F113 PolarHBondContact O-N 3.48Å; Y106-R115 HydrophobicContact CD1-CB 4.15Å; Y106-R115 HydrophobicContact CE1-CB 3.66Å
107	V	93	Very high	94.2	Very high	38 Å²	38	49 Å²	49	23%	0.23	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.7	179.3	174.9	0	0	0	0	110.1	L51 I55 Q111 L112 L134	L51-V107 HydrophobicContact CD1-CG2 4.39Å; L51-V107 HydrophobicContact CD2-CG1 4.12Å; L51-V107 HydrophobicContact CD2-CG2 4.37Å; I55-V107 HydrophobicContact CD1-CG2 3.88Å; V107-Q111 CarbonylContact C-O 3.47Å; V107-Q111 WeakPolarHBondContact CA-O 3.34Å; V107-L112 HydrophobicContact CG2-CD1 4.19Å; V107-L134 HydrophobicContact CG2-CD1 4.34Å; V107-L134 HydrophobicContact CG2-CD2 4.05Å
108	K	91	Very high	94.3	Very high	114 Å²	114	52 Å²	52	50%	0.496	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130	172	-173.3	175.6	-178.9	178.1	0	108.7	Y106 G110 Q111 F113	Y106-K108 HydrophobicContact CD2-CB 4.48Å; Y106-K108 HydrophobicContact CE2-CB 4.09Å; Y106-K108 HydrophobicContact CE2-CD 4.49Å; K108-G110 PolarHBondContact O-N 3.18Å; K108-Q111 PolarHBondContact N-O 3.34Å; K108-Q111 PolarHBondContact O-N 3.39Å; K108-F113 HydrophobicContact CB-CD2 3.85Å; K108-F113 HydrophobicContact CB-CE2 3.95Å
109	N	89.2	Confident	94.5	Very high	104 Å²	104	51.7 Å²	51.7	56%	0.556	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	34.3	-179.6	-62.5	-29.8	0	0	0	114.9	Q111 R242	N109-Q111 VanDerWaalsContact C-N 3.26Å; N109-Q111 PolarHBondContact O-N 3.17Å; N109-R242 PolarHBondContact OD1-NH2 2.84Å
110	G	85.7	Confident	94.7	Very high	51 Å²	51	44.2 Å²	44.2	53%	0.526	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	11.1	-177.9	0	0	0	0	0	114.8	K108	K108-G110 PolarHBondContact O-N 3.18Å
111	Q	89.6	Confident	94.8	Very high	89 Å²	89	48.3 Å²	48.3	42%	0.416	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.3	176.2	-60.9	177.4	-56.2	0	0	110.5	P43 V107 K108 N109 F113	P43-Q111 HydrophobicContact CB-CB 4.01Å; P43-Q111 HydrophobicContact CB-CG 4.4Å; V107-Q111 CarbonylContact C-O 3.47Å; V107-Q111 WeakPolarHBondContact CA-O 3.34Å; K108-Q111 PolarHBondContact N-O 3.34Å; K108-Q111 PolarHBondContact O-N 3.39Å; N109-Q111 VanDerWaalsContact C-N 3.26Å; N109-Q111 PolarHBondContact O-N 3.17Å; Q111-F113 HydrophobicContact CB-CD2 4.42Å; Q111-F113 HydrophobicContact CB-CE2 3.73Å; Q111-F113 HydrophobicContact CB-CZ 4.33Å
112	L	90.8	Very high	94.8	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	132.5	178.2	-170.2	63.6	0	0	0	110.1	P43 C44 L51 I55 I58 A105 V107 Y114 L134	P43-L112 CarbonylContact C-O 3.55Å; P43-L112 WeakPolarHBondContact CA-O 3.11Å; C44-L112 HydrophobicContact CB-CB 4.46Å; C44-L112 HydrophobicContact CB-CD2 4.47Å; C44-L112 HydrophobicContact CB-CG 4.45Å; C44-L112 PolarHBondContact N-O 3.2Å; L51-L112 HydrophobicContact CD1-CB 3.96Å; I55-L112 HydrophobicContact CG1-CD1 3.99Å; I55-L112 HydrophobicContact CG1-CD2 4.46Å; I58-L112 HydrophobicContact CD1-CD2 4.25Å; A105-L112 HydrophobicContact CB-CD1 4.25Å; V107-L112 HydrophobicContact CG2-CD1 4.19Å; L112-Y114 HydrophobicContact CD2-CE1 4.32Å; L112-Y114 HydrophobicContact CG-CE1 4.35Å; L112-L134 HydrophobicContact CD1-CD1 4.27Å
113	F	93.6	Very high	94.7	Very high	30 Å²	30	55.9 Å²	55.9	13%	0.132	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.4	175.9	-69	-91.9	0	0	0	109.8	I40 F41 G42 P43 A105 Y106 K108 Q111	I40-F113 HydrophobicContact CG2-CB 4.48Å; I40-F113 HydrophobicContact CG2-CD1 4.02Å; F41-F113 WeakPolarHBondContact O-CA 3.13Å; G42-F113 VanDerWaalsContact C-CE1 3.45Å; P43-F113 HydrophobicContact CB-CE1 4.44Å; P43-F113 HydrophobicContact CB-CZ 4.3Å; A105-F113 WeakPolarHBondContact CA-O 3.4Å; Y106-F113 HydrophobicContact CD1-CB 4.18Å; Y106-F113 VanDerWaalsContact CD1-O 3.29Å; Y106-F113 WeakPolarHBondContact CD1-O 3.45Å; Y106-F113 HydrophobicContact CE1-CB 3.54Å; Y106-F113 HydrophobicContact CE2-CB 4.09Å; Y106-F113 VanDerWaalsContact CZ-CB 3.5Å; Y106-F113 PolarHBondContact N-O 3.44Å; Y106-F113 PolarHBondContact O-N 3.48Å; K108-F113 HydrophobicContact CB-CD2 3.85Å; K108-F113 HydrophobicContact CB-CE2 3.95Å; Q111-F113 HydrophobicContact CB-CD2 4.42Å; Q111-F113 HydrophobicContact CB-CE2 3.73Å; Q111-F113 HydrophobicContact CB-CZ 4.33Å
114	Y	95.7	Very high	94.7	Very high	9 Å²	9	58 Å²	58	4%	0.035	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.1	169.9	-61.1	-12.4	0	0	0	109.6	I40 F41 C44 I58 L89 V92 L103 E104 A105 L112 V128	I40-Y114 WeakPolarHBondContact CA-O 3.36Å; F41-Y114 PolarHBondContact N-O 3.49Å; F41-Y114 PolarHBondContact O-N 3Å; C44-Y114 HydrophobicContact CB-CE1 4.32Å; I58-Y114 HydrophobicContact CD1-CE1 3.94Å; L89-Y114 HydrophobicContact CB-CE2 4.32Å; L89-Y114 HydrophobicContact CD2-CD2 3.69Å; L89-Y114 HydrophobicContact CD2-CE2 4.15Å; V92-Y114 HydrophobicContact CB-CE2 4.03Å; V92-Y114 HydrophobicContact CG1-CD2 4.43Å; V92-Y114 HydrophobicContact CG1-CE2 4.06Å; V92-Y114 HydrophobicContact CG2-CE2 4.25Å; L103-Y114 HydrophobicContact CD1-CD2 4.16Å; E104-Y114 CarbonylContact O-C 3.47Å; E104-Y114 VanDerWaalsContact O-CA 3.26Å; E104-Y114 WeakPolarHBondContact O-CA 3.45Å; A105-Y114 HydrophobicContact CB-CD1 3.73Å; A105-Y114 HydrophobicContact CB-CE1 3.72Å; L112-Y114 HydrophobicContact CD2-CE1 4.32Å; L112-Y114 HydrophobicContact CG-CE1 4.35Å; Y114-V128 HydrophobicContact CD1-CG2 3.87Å; Y114-V128 HydrophobicContact CD2-CG2 4.23Å; Y114-V128 HydrophobicContact CE1-CG2 3.94Å; Y114-V128 HydrophobicContact CE2-CB 4.39Å; Y114-V128 HydrophobicContact CE2-CG1 4.2Å; Y114-V128 HydrophobicContact CE2-CG2 4.28Å; Y114-V128 HydrophobicContact CG-CG2 4.04Å
115	R	96.4	Very high	94.6	Very high	70 Å²	70	58.2 Å²	58.2	26%	0.264	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.9	174.2	173.7	170	60	-143.9	-1.2	110.4	A39 L103 E104 Y106	A39-R115 CarbonylContact O-C 3.59Å; A39-R115 VanDerWaalsContact O-CA 3.24Å; A39-R115 WeakPolarHBondContact O-CA 3.32Å; L103-R115 CarbonylContact C-O 3.6Å; L103-R115 WeakPolarHBondContact CA-O 3.22Å; E104-R115 VanDerWaalsContact CD-NH2 3.34Å; E104-R115 HydrophobicContact CG-CB 4.07Å; E104-R115 PolarHBondContact N-O 2.73Å; E104-R115 PolarHBondContact O-N 2.94Å; E104-R115 IonicContact OE1-CZ 3.03Å; E104-R115 IonicContact OE1-NE 3.33Å; E104-R115 PolarHBondContact OE1-NE 3.46Å; E104-R115 IonicContact OE1-NH2 2.84Å; E104-R115 PolarHBondContact OE1-NH2 2.98Å; E104-R115 IonicContact OE2-NH2 3.62Å; Y106-R115 HydrophobicContact CD1-CB 4.15Å; Y106-R115 HydrophobicContact CE1-CB 3.66Å
116	S	97.4	Very high	94.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.2	173	55.7	0	0	0	0	111.9	P36 N38 A39 N102	P36-S116 PolarHBondContact O-OG 2.85Å; N38-S116 WeakPolarHBondContact CA-O 3.35Å; N38-S116 PolarHBondContact N-O 3.21Å; N38-S116 PolarHBondContact N-OG 3.08Å; N38-S116 VanDerWaalsContact N-OG 3.1Å; A39-S116 WeakPolarHBondContact CB-OG 3.4Å; A39-S116 PolarHBondContact N-OG 3.05Å; A39-S116 PolarHBondContact O-N 2.68Å; N102-S116 WeakPolarHBondContact O-CA 3.26Å
117	L	97.3	Very high	94.7	Very high	70 Å²	70	57.3 Å²	57.3	37%	0.366	27%	0.274	S	S	.	.	S	Bend	trans	-85.4	-14.1	-179	-72.3	174.8	0	0	0	114	Q101 N102 E104	Q101-L117 HydrophobicContact CG-CD1 3.84Å; N102-L117 PolarHBondContact O-N 3.42Å; E104-L117 HydrophobicContact CB-CD1 4.24Å; E104-L117 HydrophobicContact CB-CD2 3.94Å; E104-L117 HydrophobicContact CB-CG 4.1Å; E104-L117 HydrophobicContact CG-CD2 3.76Å; E104-L117 HydrophobicContact CG-CG 4.22Å
118	R	97.1	Very high	94.9	Very high	93 Å²	93	55.6 Å²	55.6	35%	0.351	26%	0.264	S	S	.	.	S	Bend	trans	-153.7	174.4	177.7	55	167.1	177.5	90.4	-6.6	108.7	N102 I120 E124	N102-R118 HydrophobicContact CB-CG 4.49Å; R118-I120 PolarHBondContact O-N 3.42Å; R118-E124 IonicContact CZ-OE1 2.75Å; R118-E124 IonicContact CZ-OE2 3.74Å; R118-E124 IonicContact NH1-OE1 3.16Å; R118-E124 PolarHBondContact NH1-OE1 3.37Å; R118-E124 IonicContact NH1-OE2 2.69Å; R118-E124 PolarHBondContact NH1-OE2 3.42Å; R118-E124 VanDerWaalsContact NH1-OE2 3.14Å; R118-E124 IonicContact NH2-OE1 3.96Å; R118-E124 IonicContact NH2-OE2 3.29Å; R118-E124 PolarHBondContact NH2-OE2 3.41Å
119	R	97.5	Very high	95.2	Very high	146 Å²	146	50.2 Å²	50.2	55%	0.551	24%	0.24	S	C	*	.			trans	-59.1	134.9	157.7	-177	179.8	177.5	-173.3	-2.4	108.9	D34 I35	D34-R119 IonicContact OD2-CZ 3.64Å; D34-R119 IonicContact OD2-NE 2.72Å; D34-R119 PolarHBondContact OD2-NE 3.18Å; D34-R119 IonicContact OD2-NH2 3.9Å; D34-R119 PolarHBondContact OD2-NH2 3.49Å; I35-R119 WeakPolarHBondContact O-CA 3.44Å
120	I	97.9	Very high	95.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-113.1	124.3	173.3	-51.4	176.4	0	0	0	106.2	T31 D34 I35 N102 L103 R118 E124 L126	T31-I120 HydrophobicContact CG2-CG2 4.21Å; D34-I120 WeakPolarHBondContact CA-O 3.47Å; I35-I120 HydrophobicContact CB-CB 4.09Å; I35-I120 HydrophobicContact CD1-CB 4.35Å; I35-I120 HydrophobicContact CD1-CD1 4.23Å; I35-I120 PolarHBondContact N-O 3.31Å; I35-I120 PolarHBondContact O-N 3.2Å; N102-I120 HydrophobicContact CB-CD1 3.8Å; N102-I120 HydrophobicContact CB-CG1 4Å; L103-I120 HydrophobicContact CD2-CD1 3.98Å; R118-I120 PolarHBondContact O-N 3.42Å; I120-E124 WeakPolarHBondContact CA-OE1 3.37Å; I120-E124 HydrophobicContact CG2-CB 3.59Å; I120-E124 HydrophobicContact CG2-CG 4.12Å; I120-L126 HydrophobicContact CD1-CD2 3.84Å; I120-L126 HydrophobicContact CG2-CD2 4.02Å
121	E	97.3	Very high	96	Very high	119 Å²	119	43.1 Å²	43.1	56%	0.556	19%	0.191	S	C	*	.			trans	-76.3	153	-179.1	-58.7	-172.2	162	0	0	110.8	T31 E124	T31-E121 VanDerWaalsContact CG2-O 3.28Å; T31-E121 WeakPolarHBondContact CG2-O 3.39Å; E121-E124 HydrophobicContact CB-CG 4.25Å; E121-E124 PolarHBondContact N-OE1 2.92Å; E121-E124 WeakPolarHBondContact O-CB 3.49Å; E121-E124 PolarHBondContact O-N 2.96Å
122	K	96.8	Very high	96.1	Very high	118 Å²	118	46.6 Å²	46.6	51%	0.513	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	141.3	167.8	175.1	179.3	177.3	-162.2	0	111.2	T32 D34 E124	T32-K122 WeakPolarHBondContact O-CD 3.41Å; T32-K122 VanDerWaalsContact O-CE 3.32Å; T32-K122 WeakPolarHBondContact O-CE 3.29Å; T32-K122 WeakPolarHBondContact O-CG 3.44Å; D34-K122 PolarHBondContact OD1-N 3.15Å; K122-E124 VanDerWaalsContact C-N 3.27Å; K122-E124 PolarHBondContact O-N 2.9Å
123	D	96	Very high	96.1	Very high	66 Å²	66	52.8 Å²	52.8	35%	0.353	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	13.5	-178.6	-71.1	-74.7	0	0	0	115.3	Y30 T31 R73	Y30-D123 VanDerWaalsContact CD1-O 3.3Å; Y30-D123 WeakPolarHBondContact CD1-O 3.48Å; T31-D123 WeakPolarHBondContact O-CA 3.48Å; T31-D123 PolarHBondContact O-N 2.79Å; R73-D123 IonicContact CZ-OD1 3.06Å; R73-D123 IonicContact NH1-OD1 3Å; R73-D123 PolarHBondContact NH1-OD1 2.83Å; R73-D123 IonicContact NH2-OD1 2.68Å; R73-D123 PolarHBondContact NH2-OD1 3.42Å
124	E	96.6	Very high	96	Very high	45 Å²	45	51.7 Å²	51.7	21%	0.21	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-79.4	154.1	164	-76	-163.2	-117.9	0	0	114	Y30 T31 R118 I120 E121 K122	Y30-E124 VanDerWaalsContact CA-O 3.26Å; Y30-E124 WeakPolarHBondContact CA-O 3.2Å; Y30-E124 VanDerWaalsContact CD1-C 3.4Å; Y30-E124 WeakPolarHBondContact CD1-O 3.25Å; T31-E124 PolarHBondContact N-O 3.29Å; T31-E124 VanDerWaalsContact N-O 3.16Å; R118-E124 IonicContact CZ-OE1 2.75Å; R118-E124 IonicContact CZ-OE2 3.74Å; R118-E124 IonicContact NH1-OE1 3.16Å; R118-E124 PolarHBondContact NH1-OE1 3.37Å; R118-E124 IonicContact NH1-OE2 2.69Å; R118-E124 PolarHBondContact NH1-OE2 3.42Å; R118-E124 VanDerWaalsContact NH1-OE2 3.14Å; R118-E124 IonicContact NH2-OE1 3.96Å; R118-E124 IonicContact NH2-OE2 3.29Å; R118-E124 PolarHBondContact NH2-OE2 3.41Å; I120-E124 WeakPolarHBondContact CA-OE1 3.37Å; I120-E124 HydrophobicContact CG2-CB 3.59Å; I120-E124 HydrophobicContact CG2-CG 4.12Å; E121-E124 HydrophobicContact CB-CG 4.25Å; E121-E124 PolarHBondContact N-OE1 2.92Å; E121-E124 WeakPolarHBondContact O-CB 3.49Å; E121-E124 PolarHBondContact O-N 2.96Å; K122-E124 VanDerWaalsContact C-N 3.27Å; K122-E124 PolarHBondContact O-N 2.9Å
125	E	96.3	Very high	95.8	Very high	31 Å²	31	53.2 Å²	53.2	15%	0.145	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-77.8	137	169.4	-171.6	-178.4	-158.1	0	0	111	S28 V29 Y30 R66 N102 L127	S28-E125 WeakPolarHBondContact CB-OE1 3.04Å; S28-E125 PolarHBondContact OG-OE1 2.82Å; V29-E125 CarbonylContact O-C 3.56Å; V29-E125 WeakPolarHBondContact O-CA 3.17Å; Y30-E125 HydrophobicContact CD1-CB 4.36Å; Y30-E125 HydrophobicContact CE1-CB 3.89Å; Y30-E125 HydrophobicContact CE2-CB 4.19Å; Y30-E125 HydrophobicContact CE2-CG 4.22Å; R66-E125 IonicContact CZ-OE2 3.35Å; R66-E125 IonicContact NE-OE1 3.75Å; R66-E125 IonicContact NE-OE2 2.67Å; R66-E125 IonicContact NH2-OE2 2.75Å; R66-E125 PolarHBondContact NH2-OE2 3.4Å; R66-E125 VanDerWaalsContact NH2-OE2 3.11Å; N102-E125 PolarHBondContact ND2-O 2.82Å; E125-L127 HydrophobicContact CB-CG 4.45Å; E125-L127 HydrophobicContact CG-CD2 3.95Å; E125-L127 HydrophobicContact CG-CG 4Å
126	L	97.2	Very high	95.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-88.8	116.6	174.2	-57.4	-174.1	0	0	0	110.9	V29 I35 V74 W88 V92 L103 I120	V29-L126 HydrophobicContact CB-CB 4.42Å; V29-L126 HydrophobicContact CG1-CB 4.46Å; V29-L126 HydrophobicContact CG1-CD1 3.9Å; V29-L126 HydrophobicContact CG1-CG 4.33Å; V29-L126 PolarHBondContact O-N 3.04Å; I35-L126 HydrophobicContact CD1-CD1 4.3Å; I35-L126 HydrophobicContact CD1-CD2 3.68Å; V74-L126 HydrophobicContact CG1-CD1 4.22Å; W88-L126 HydrophobicContact CH2-CD1 3.98Å; W88-L126 HydrophobicContact CZ3-CD1 3.61Å; V92-L126 HydrophobicContact CG1-CB 4.39Å; V92-L126 WeakPolarHBondContact CG1-O 3.28Å; L103-L126 HydrophobicContact CD1-CB 4.02Å; I120-L126 HydrophobicContact CD1-CD2 3.84Å; I120-L126 HydrophobicContact CG2-CD2 4.02Å
127	L	97.1	Very high	95	Very high	8 Å²	8	56.2 Å²	56.2	4%	0.042	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114	-171.4	-67.7	177.3	0	0	0	111.5	R66 Q93 A95 E100 N102 L103 E125	R66-L127 VanDerWaalsContact CZ-CD2 3.45Å; R66-L127 VanDerWaalsContact NH2-CD1 3.26Å; Q93-L127 HydrophobicContact CB-CD2 3.82Å; Q93-L127 WeakPolarHBondContact O-CA 3.49Å; A95-L127 HydrophobicContact CB-CB 4.19Å; E100-L127 HydrophobicContact CB-CD1 4Å; E100-L127 HydrophobicContact CG-CD1 3.81Å; N102-L127 PolarHBondContact N-O 3.15Å; N102-L127 PolarHBondContact OD1-N 3.35Å; N102-L127 PolarHBondContact OD1-O 3.01Å; L103-L127 PolarHBondContact N-O 2.79Å; E125-L127 HydrophobicContact CB-CG 4.45Å; E125-L127 HydrophobicContact CG-CD2 3.95Å; E125-L127 HydrophobicContact CG-CG 4Å
128	V	97.3	Very high	94.5	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	142.4	-174	73.7	0	0	0	0	112.9	I58 V92 Q93 S94 A95 L103 A105 Y114	I58-V128 HydrophobicContact CG2-CG1 4.14Å; V92-V128 HydrophobicContact CG1-CB 3.92Å; V92-V128 HydrophobicContact CG1-CG1 3.8Å; Q93-V128 PolarHBondContact O-N 3.03Å; S94-V128 WeakPolarHBondContact CA-O 3.26Å; A95-V128 PolarHBondContact N-O 3.41Å; L103-V128 HydrophobicContact CB-CB 3.92Å; L103-V128 HydrophobicContact CB-CG2 3.9Å; L103-V128 WeakPolarHBondContact O-CA 3.36Å; A105-V128 HydrophobicContact CB-CG2 3.86Å; Y114-V128 HydrophobicContact CD1-CG2 3.87Å; Y114-V128 HydrophobicContact CD2-CG2 4.23Å; Y114-V128 HydrophobicContact CE1-CG2 3.94Å; Y114-V128 HydrophobicContact CE2-CB 4.39Å; Y114-V128 HydrophobicContact CE2-CG1 4.2Å; Y114-V128 HydrophobicContact CE2-CG2 4.28Å; Y114-V128 HydrophobicContact CG-CG2 4.04Å
129	W	97.1	Very high	94	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	178.3	160.2	-169.8	-117	0	0	0	110.2	I58 A59 A95 Q101 L103 E104 A105 L140 F168 L171 A172	I58-W129 HydrophobicContact CG2-CE3 4.09Å; I58-W129 HydrophobicContact CG2-CZ3 4.39Å; A59-W129 HydrophobicContact CB-CH2 4.15Å; A59-W129 HydrophobicContact CB-CZ3 4.38Å; A95-W129 HydrophobicContact CB-CB 4.34Å; Q101-W129 HydrophobicContact CG-CB 4.05Å; L103-W129 PolarHBondContact O-N 3.42Å; L103-W129 VanDerWaalsContact O-N 3.15Å; E104-W129 CarbonylContact C-O 3.54Å; E104-W129 VanDerWaalsContact CA-O 3.31Å; E104-W129 WeakPolarHBondContact CA-O 3.31Å; A105-W129 PolarHBondContact N-O 2.9Å; W129-L140 HydrophobicContact CZ2-CD1 4.34Å; W129-F168 HydrophobicContact CB-CD2 3.73Å; W129-F168 HydrophobicContact CB-CE2 3.52Å; W129-F168 HydrophobicContact CB-CZ 4.35Å; W129-F168 AromaticContact CD1-CD1 3.88Å; W129-F168 AromaticContact CD1-CD2 3.61Å; W129-F168 AromaticContact CD1-CE1 3.71Å; W129-F168 AromaticContact CD1-CE2 3.4Å; W129-F168 VanDerWaalsContact CD1-CE2 3.4Å; W129-F168 AromaticContact CD1-CG 3.86Å; W129-F168 AromaticContact CD1-CZ 3.46Å; W129-F168 VanDerWaalsContact CD1-CZ 3.46Å; W129-F168 HydrophobicContact CD2-CB 3.86Å; W129-F168 HydrophobicContact CD2-CD1 4.31Å; W129-F168 AromaticContact CD2-CD2 3.49Å; W129-F168 HydrophobicContact CD2-CD2 3.49Å; W129-F168 VanDerWaalsContact CD2-CD2 3.49Å; W129-F168 HydrophobicContact CD2-CE2 4.06Å; W129-F168 AromaticContact CD2-CG 3.64Å; W129-F168 HydrophobicContact CD2-CG 3.64Å; W129-F168 AromaticContact CE2-CD1 3.83Å; W129-F168 AromaticContact CE2-CD2 3.89Å; W129-F168 AromaticContact CE2-CG 3.53Å; W129-F168 HydrophobicContact CE3-CB 3.97Å; W129-F168 HydrophobicContact CE3-CD2 4.05Å; W129-F168 HydrophobicContact CE3-CG 4.2Å; W129-F168 HydrophobicContact CG-CD1 4.34Å; W129-F168 AromaticContact CG-CD2 3.32Å; W129-F168 HydrophobicContact CG-CD2 3.32Å; W129-F168 HydrophobicContact CG-CE1 4.39Å; W129-F168 AromaticContact CG-CE2 3.37Å; W129-F168 HydrophobicContact CG-CE2 3.37Å; W129-F168 AromaticContact CG-CG 3.85Å; W129-F168 HydrophobicContact CG-CG 3.85Å; W129-F168 AromaticContact CG-CZ 3.94Å; W129-F168 HydrophobicContact CG-CZ 3.94Å; W129-F168 HydrophobicContact CH2-CB 3.85Å; W129-F168 HydrophobicContact CZ2-CB 3.72Å; W129-F168 HydrophobicContact CZ2-CD1 4.34Å; W129-F168 HydrophobicContact CZ2-CG 4.04Å; W129-F168 HydrophobicContact CZ3-CB 3.96Å; W129-F168 AromaticContact NE1-CD1 3.53Å; W129-F168 AromaticContact NE1-CD2 3.92Å; W129-F168 AromaticContact NE1-CE1 3.71Å; W129-F168 AromaticContact NE1-CG 3.66Å; W129-F168 AromaticContact NE1-CZ 3.97Å; W129-L171 HydrophobicContact CZ2-CB 4.5Å; W129-A172 HydrophobicContact CH2-CB 4.19Å
130	Y	96.4	Very high	93.3	Very high	3 Å²	3	47 Å²	47	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	139.1	-179.9	-57.3	-59.6	0	0	0	112.4	I55 I58 A59 L134 I135 L138 L140	I55-Y130 HydrophobicContact CG2-CD1 4.46Å; I55-Y130 HydrophobicContact CG2-CE1 3.71Å; I55-Y130 WeakPolarHBondContact O-CE1 3.36Å; I55-Y130 PolarHBondContact O-OH 2.66Å; I58-Y130 HydrophobicContact CB-CE1 3.99Å; I58-Y130 HydrophobicContact CD1-CE1 4.21Å; I58-Y130 HydrophobicContact CG2-CE1 4.22Å; A59-Y130 HydrophobicContact CB-CE2 4.1Å; A59-Y130 WeakPolarHBondContact CB-OH 3.4Å; A59-Y130 PolarHBondContact N-OH 2.86Å; A59-Y130 VanDerWaalsContact N-OH 3.13Å; Y130-L134 HydrophobicContact CD1-CB 4.13Å; Y130-L134 HydrophobicContact CD1-CD1 3.96Å; Y130-L134 HydrophobicContact CG-CB 4.27Å; Y130-I135 WeakPolarHBondContact O-CD1 3.28Å; Y130-L138 HydrophobicContact CD1-CD1 4.04Å; Y130-L138 HydrophobicContact CD2-CD1 4.01Å; Y130-L138 HydrophobicContact CE1-CD1 3.8Å; Y130-L138 HydrophobicContact CE2-CD1 3.76Å; Y130-L138 HydrophobicContact CG-CD1 4.13Å; Y130-L140 HydrophobicContact CD2-CD1 3.41Å; Y130-L140 VanDerWaalsContact CD2-CD1 3.41Å; Y130-L140 HydrophobicContact CE2-CD1 3.48Å; Y130-L140 VanDerWaalsContact CE2-CD1 3.48Å; Y130-L140 HydrophobicContact CG-CD1 4.46Å
131	G	94.4	Very high	92.1	Very high	4 Å²	4	48.8 Å²	48.8	4%	0.041	24%	0.243	C	C	.	.			trans	-70.3	164.3	161.8	0	0	0	0	0	111.5	E104 A105 D133 L134 I135	E104-G131 VanDerWaalsContact OE2-CA 3.32Å; E104-G131 WeakPolarHBondContact OE2-CA 3.26Å; A105-G131 PolarHBondContact O-N 3.38Å; G131-D133 PolarHBondContact O-N 3.25Å; G131-L134 PolarHBondContact O-N 3.46Å; G131-I135 PolarHBondContact O-N 2.67Å
132	K	91.4	Very high	90.2	Very high	162 Å²	162	45.6 Å²	45.6	70%	0.704	23%	0.234	S	C	*	.	H	α-helix	trans	-48.6	-52	-171	-62.3	174.9	-174.9	171.3	0	113.2	L134 I135 D136	K132-L134 PolarHBondContact O-N 2.88Å; K132-I135 WeakPolarHBondContact O-CA 3.5Å; K132-I135 WeakPolarHBondContact O-CB 3.46Å; K132-I135 PolarHBondContact O-N 2.8Å; K132-D136 PolarHBondContact O-N 3.4Å
133	D	90.7	Very high	88.2	Confident	133 Å²	133	45 Å²	45	71%	0.711	25%	0.246	S	C	*	.	H	α-helix	trans	-57.2	-36.8	-177.9	-45.2	-17.6	0	0	0	112.3	G131 L137	G131-D133 PolarHBondContact O-N 3.25Å; D133-L137 WeakPolarHBondContact O-CB 3.41Å; D133-L137 PolarHBondContact O-N 3.15Å
134	L	92	Very high	86	Confident	6 Å²	6	49.1 Å²	49.1	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-78.1	-33.7	175.3	-74.8	-171.7	0	0	0	112.6	I55 A105 V107 L112 Y130 G131 K132 D136 L137 L138	I55-L134 HydrophobicContact CD1-CD2 4.15Å; I55-L134 HydrophobicContact CG1-CD1 4.39Å; A105-L134 WeakPolarHBondContact O-CD1 3.46Å; V107-L134 HydrophobicContact CG2-CD1 4.34Å; V107-L134 HydrophobicContact CG2-CD2 4.05Å; L112-L134 HydrophobicContact CD1-CD1 4.27Å; Y130-L134 HydrophobicContact CD1-CB 4.13Å; Y130-L134 HydrophobicContact CD1-CD1 3.96Å; Y130-L134 HydrophobicContact CG-CB 4.27Å; G131-L134 PolarHBondContact O-N 3.46Å; K132-L134 PolarHBondContact O-N 2.88Å; L134-D136 VanDerWaalsContact C-N 3.34Å; L134-L137 HydrophobicContact CD2-CD2 4.14Å; L134-L138 WeakPolarHBondContact O-CB 3.3Å; L134-L138 WeakPolarHBondContact O-CD1 3.17Å; L134-L138 WeakPolarHBondContact O-CG 3.37Å; L134-L138 PolarHBondContact O-N 2.75Å
135	I	91.8	Very high	83.8	Confident	42 Å²	42	48 Å²	48	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-58.7	-48.6	173.4	-67.7	175.4	0	0	0	110	Y130 G131 K132 L139 L140	Y130-I135 WeakPolarHBondContact O-CD1 3.28Å; G131-I135 PolarHBondContact O-N 2.67Å; K132-I135 WeakPolarHBondContact O-CA 3.5Å; K132-I135 WeakPolarHBondContact O-CB 3.46Å; K132-I135 PolarHBondContact O-N 2.8Å; I135-L139 PolarHBondContact O-N 3.14Å; I135-L139 VanDerWaalsContact O-N 3.15Å; I135-L140 HydrophobicContact CG2-CB 4.08Å; I135-L140 PolarHBondContact O-N 3.2Å
136	D	88.9	Confident	81.5	Confident	88 Å²	88	50.9 Å²	50.9	47%	0.471	28%	0.276	S	S	.	.	H	α-helix	trans	-74.9	-41.6	-177.1	-67.8	-37.1	0	0	0	112.1	K132 L134 L138 L139 S141	K132-D136 PolarHBondContact O-N 3.4Å; L134-D136 VanDerWaalsContact C-N 3.34Å; D136-L138 VanDerWaalsContact C-N 3.31Å; D136-L138 PolarHBondContact O-N 2.86Å; D136-L139 WeakPolarHBondContact O-CA 3.48Å; D136-L139 WeakPolarHBondContact O-CD2 3.45Å; D136-L139 PolarHBondContact O-N 3.24Å; D136-S141 PolarHBondContact OD1-OG 3.44Å
137	L	87.8	Confident	79.3	Confident	45 Å²	45	55.4 Å²	55.4	24%	0.236	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-39.2	173.5	-176.9	69.7	0	0	0	112.4	D133 L134 L139 L234 L238	D133-L137 WeakPolarHBondContact O-CB 3.41Å; D133-L137 PolarHBondContact O-N 3.15Å; L134-L137 HydrophobicContact CD2-CD2 4.14Å; L137-L139 PolarHBondContact O-N 2.96Å; L137-L234 HydrophobicContact CD1-CD2 4.02Å; L137-L234 HydrophobicContact CD1-CG 3.85Å; L137-L234 HydrophobicContact CG-CD2 4.01Å; L137-L234 HydrophobicContact CG-CG 4.4Å; L137-L238 HydrophobicContact CD2-CD1 3.91Å; L137-L238 HydrophobicContact CD2-CD2 4.09Å; L137-L238 HydrophobicContact CD2-CG 4Å
138	L	86.8	Confident	77.2	Confident	16 Å²	16	61 Å²	61	8%	0.084	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-3	175	-64.2	172.2	0	0	0	112.7	I55 Y130 L134 D136 L140 R175 F176	I55-L138 HydrophobicContact CG2-CD1 3.73Å; I55-L138 HydrophobicContact CG2-CD2 4.14Å; I55-L138 HydrophobicContact CG2-CG 4.42Å; Y130-L138 HydrophobicContact CD1-CD1 4.04Å; Y130-L138 HydrophobicContact CD2-CD1 4.01Å; Y130-L138 HydrophobicContact CE1-CD1 3.8Å; Y130-L138 HydrophobicContact CE2-CD1 3.76Å; Y130-L138 HydrophobicContact CG-CD1 4.13Å; L134-L138 WeakPolarHBondContact O-CB 3.3Å; L134-L138 WeakPolarHBondContact O-CD1 3.17Å; L134-L138 WeakPolarHBondContact O-CG 3.37Å; L134-L138 PolarHBondContact O-N 2.75Å; D136-L138 VanDerWaalsContact C-N 3.31Å; D136-L138 PolarHBondContact O-N 2.86Å; L138-L140 HydrophobicContact CB-CD1 3.7Å; L138-L140 HydrophobicContact CB-CG 3.7Å; L138-L140 HydrophobicContact CD1-CD1 3.76Å; L138-L140 HydrophobicContact CG-CD1 4.41Å; L138-L140 PolarHBondContact O-N 2.86Å; L138-R175 PolarHBondContact O-NE 3.2Å; L138-R175 PolarHBondContact O-NH2 2.67Å; L138-F176 HydrophobicContact CD1-CZ 4.31Å; L138-F176 HydrophobicContact CD2-CZ 4.17Å
139	L	85.9	Confident	75.2	Confident	93 Å²	93	65 Å²	65	49%	0.487	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	36.2	-176.6	-54.8	172.1	0	0	0	113.1	I135 D136 L137 S141	I135-L139 PolarHBondContact O-N 3.14Å; I135-L139 VanDerWaalsContact O-N 3.15Å; D136-L139 WeakPolarHBondContact O-CA 3.48Å; D136-L139 WeakPolarHBondContact O-CD2 3.45Å; D136-L139 PolarHBondContact O-N 3.24Å; L137-L139 PolarHBondContact O-N 2.96Å; L139-S141 VanDerWaalsContact C-N 3.34Å
140	L	83.2	Confident	72.8	Confident	5 Å²	5	75.7 Å²	75.7	3%	0.026	41%	0.412	C	S	.	.			trans	-85.1	-6.4	177.8	-65.2	170.9	0	0	0	112.8	W129 Y130 I135 L138 S142 L171 R175 F176	W129-L140 HydrophobicContact CZ2-CD1 4.34Å; Y130-L140 HydrophobicContact CD2-CD1 3.41Å; Y130-L140 VanDerWaalsContact CD2-CD1 3.41Å; Y130-L140 HydrophobicContact CE2-CD1 3.48Å; Y130-L140 VanDerWaalsContact CE2-CD1 3.48Å; Y130-L140 HydrophobicContact CG-CD1 4.46Å; I135-L140 HydrophobicContact CG2-CB 4.08Å; I135-L140 PolarHBondContact O-N 3.2Å; L138-L140 HydrophobicContact CB-CD1 3.7Å; L138-L140 HydrophobicContact CB-CG 3.7Å; L138-L140 HydrophobicContact CD1-CD1 3.76Å; L138-L140 HydrophobicContact CG-CD1 4.41Å; L138-L140 PolarHBondContact O-N 2.86Å; L140-S142 PolarHBondContact O-N 3.27Å; L140-L171 HydrophobicContact CD2-CB 4.2Å; L140-L171 WeakPolarHBondContact CD2-O 3.15Å; L140-L171 WeakPolarHBondContact O-CD1 3.3Å; L140-L171 WeakPolarHBondContact O-CD2 3.43Å; L140-R175 HydrophobicContact CD2-CB 3.52Å; L140-R175 HydrophobicContact CD2-CG 3.98Å; L140-F176 HydrophobicContact CD2-CE2 4.29Å
141	S	73.1	Confident	70.8	Confident	38 Å²	38	79.3 Å²	79.3	27%	0.266	45%	0.45	S	S	.	.			trans	-55.5	128.5	179	-18.4	0	0	0	0	110.7	D136 L139 S143	D136-S141 PolarHBondContact OD1-OG 3.44Å; L139-S141 VanDerWaalsContact C-N 3.34Å; S141-S143 PolarHBondContact O-N 3.11Å
142	S	58.6	Low	69.2	Low	52 Å²	52	81.2 Å²	81.2	36%	0.364	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-66.3	4.2	-168.9	-134.5	0	0	0	0	115	L140 R144 A145 E167	L140-S142 PolarHBondContact O-N 3.27Å; S142-R144 PolarHBondContact O-N 3.37Å; S142-A145 WeakPolarHBondContact O-CB 3.29Å; S142-A145 PolarHBondContact O-N 3.23Å; S142-E167 PolarHBondContact OG-OE1 3.3Å
143	S	53.2	Low	68.2	Low	107 Å²	107	77.9 Å²	77.9	75%	0.748	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-63.7	-10.6	-177.1	57.5	0	0	0	0	115.5	S141	S141-S143 PolarHBondContact O-N 3.11Å
144	R	51.1	Low	67.9	Low	151 Å²	151	74.7 Å²	74.7	57%	0.57	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-113	1.1	171.9	-70	-177.8	-68	-164.5	-5.1	114	S142	S142-R144 PolarHBondContact O-N 3.37Å
145	A	49.3	Very low	67.7	Low	22 Å²	22	75.2 Å²	75.2	18%	0.182	44%	0.443	C	S	.	.	S	Bend	trans	-76.2	135.3	165.3	0	0	0	0	0	108.3	S142 A147 F170	S142-A145 WeakPolarHBondContact O-CB 3.29Å; S142-A145 PolarHBondContact O-N 3.23Å; A145-A147 PolarHBondContact O-N 3.19Å; A145-F170 HydrophobicContact CB-CE1 3.79Å; A145-F170 HydrophobicContact CB-CZ 3.86Å
146	P	49.1	Very low	67.6	Low	91 Å²	91	75.7 Å²	75.7	59%	0.591	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-59.6	125.8	170.2	25.8	-32.6	0	0	0	108.3	K148	P146-K148 PolarHBondContact O-N 3.12Å
147	A	50.8	Low	67.6	Low	96 Å²	96	71.7 Å²	71.7	79%	0.793	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-52.4	131.7	-176.4	0	0	0	0	0	110.4	A145 S149	A145-A147 PolarHBondContact O-N 3.19Å; A147-S149 PolarHBondContact O-N 3.44Å
148	K	53.3	Low	67.6	Low	125 Å²	125	73.5 Å²	73.5	54%	0.543	44%	0.443	S	S	.	.			trans	-47.9	110.6	179.9	-84.3	-179.5	174.3	168.1	0	109.4	P146 K150 H155	P146-K148 PolarHBondContact O-N 3.12Å; K148-K150 PolarHBondContact O-N 2.91Å; K148-H155 WeakPolarHBondContact CE-CE1 3.03Å; K148-H155 WeakPolarHBondContact CE-NE2 3.22Å; K148-H155 PolarHBondContact NZ-CE1 3.2Å; K148-H155 PolarHBondContact NZ-NE2 2.84Å
149	S	54.3	Low	67.6	Low	85 Å²	85	75.3 Å²	75.3	59%	0.594	45%	0.453	S	S	*	.			trans	-60.9	128.2	171.4	49.3	0	0	0	0	107.3	A147 G151 S152	A147-S149 PolarHBondContact O-N 3.44Å; S149-G151 PolarHBondContact O-N 3.15Å; S149-S152 PolarHBondContact N-OG 2.92Å; S149-S152 PolarHBondContact O-N 3.07Å; S149-S152 PolarHBondContact O-OG 2.9Å; S149-S152 VanDerWaalsContact O-OG 3.07Å
150	K	46.3	Very low	67.7	Low	226 Å²	226	72.6 Å²	72.6	98%	0.983	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	105.5	-173.2	-75	-178.2	173.5	-179.9	0	109.9	K148	K148-K150 PolarHBondContact O-N 2.91Å
151	G	55	Low	67.9	Low	79 Å²	79	76.7 Å²	76.7	81%	0.814	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	123.2	-16.5	-173.2	0	0	0	0	0	115.5	S149 S153	S149-G151 PolarHBondContact O-N 3.15Å; G151-S153 PolarHBondContact O-N 3.3Å
152	S	60.2	Low	68.7	Low	43 Å²	43	79.4 Å²	79.4	30%	0.301	48%	0.479	S	S	.	.			trans	-78.6	100.2	177.9	66	0	0	0	0	112	S149 H154	S149-S152 PolarHBondContact N-OG 2.92Å; S149-S152 PolarHBondContact O-N 3.07Å; S149-S152 PolarHBondContact O-OG 2.9Å; S149-S152 VanDerWaalsContact O-OG 3.07Å; S152-H154 PolarHBondContact O-N 3.27Å; S152-H154 VanDerWaalsContact O-N 3.15Å
153	S	70.7	Confident	70.2	Confident	92 Å²	92	84.4 Å²	84.4	64%	0.643	49%	0.49	S	S	*	.			trans	-74.3	9.7	177.8	56.4	0	0	0	0	115.2	G151	G151-S153 PolarHBondContact O-N 3.3Å
154	H	85.1	Confident	72	Confident	67 Å²	67	79.9 Å²	79.9	31%	0.31	46%	0.457	S	S	.	.	S	Bend	trans	-142.2	137.9	-173.9	-67.2	71.8	0	0	0	110.2	S152 R163 F164	S152-H154 PolarHBondContact O-N 3.27Å; S152-H154 VanDerWaalsContact O-N 3.15Å; H154-R163 PolarHBondContact ND1-NH2 3.34Å; H154-F164 CarbonylContact C-O 3.51Å; H154-F164 VanDerWaalsContact CA-O 3.23Å; H154-F164 WeakPolarHBondContact CA-O 3.48Å; H154-F164 WeakPolarHBondContact CB-O 3.42Å
155	H	87.7	Confident	74	Confident	16 Å²	16	77.9 Å²	77.9	7%	0.074	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	147	167.4	-61.3	-115.9	0	0	0	109.2	K148 R163 F164 F170	K148-H155 WeakPolarHBondContact CE-CE1 3.03Å; K148-H155 WeakPolarHBondContact CE-NE2 3.22Å; K148-H155 PolarHBondContact NZ-CE1 3.2Å; K148-H155 PolarHBondContact NZ-NE2 2.84Å; H155-R163 CarbonylContact O-C 3.5Å; H155-R163 WeakPolarHBondContact O-CA 3.41Å; H155-F164 HydrophobicContact CB-CB 4.35Å; H155-F164 PolarHBondContact N-O 2.78Å; H155-F164 PolarHBondContact O-N 2.9Å; H155-F170 HydrophobicContact CB-CB 3.71Å; H155-F170 HydrophobicContact CB-CD1 3.75Å; H155-F170 HydrophobicContact CB-CD2 3.75Å; H155-F170 HydrophobicContact CB-CE1 4.22Å; H155-F170 HydrophobicContact CB-CE2 4.23Å; H155-F170 HydrophobicContact CB-CG 3.47Å; H155-F170 VanDerWaalsContact CB-CG 3.47Å; H155-F170 HydrophobicContact CB-CZ 4.43Å; H155-F170 AromaticContact CG-CD1 3.91Å; H155-F170 AromaticContact ND1-CD1 3.45Å; H155-F170 WeakPolarHBondContact ND1-CD1 3.32Å; H155-F170 AromaticContact ND1-CE1 3.78Å
156	S	90	Very high	76.1	Confident	53 Å²	53	78.6 Å²	78.6	37%	0.371	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	128.3	-177	-58.2	0	0	0	0	111.2	Q162 F170	S156-Q162 WeakPolarHBondContact CA-O 3.47Å; S156-F170 WeakPolarHBondContact O-CE2 3.23Å
157	C	88.4	Confident	78.1	Confident	3 Å²	3	77.1 Å²	77.1	2%	0.02	44%	0.438	C	S	.	.			trans	-67.9	127.9	176.7	171.5	0	0	0	0	110.7	D159 C160 S161 Q162 H173 L174 C178	C157-D159 VanDerWaalsContact C-N 3.35Å; C157-D159 PolarHBondContact O-N 3.34Å; C157-D159 PolarHBondContact SG-N 2.89Å; C157-D159 VanDerWaalsContact SG-N 3.44Å; C157-D159 PolarHBondContact SG-OD2 3.12Å; C157-C160 PolarHBondContact SG-N 2.81Å; C157-C160 PolarHBondContact SG-SG 3.32Å; C157-S161 WeakPolarHBondContact O-CA 3.48Å; C157-S161 PolarHBondContact O-N 3.37Å; C157-Q162 PolarHBondContact N-O 3.14Å; C157-H173 PolarHBondContact SG-NE2 3.47Å; C157-H173 VanDerWaalsContact SG-NE2 3.39Å; C157-L174 HydrophobicContact CB-CD2 4.19Å; C157-C178 VanDerWaalsContact SG-SG 3.64Å
158	P	86.7	Confident	80.2	Confident	84 Å²	84	73.1 Å²	73.1	55%	0.545	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-32.6	179.7	28.7	-33.8	0	0	0	112.3
159	D	87.2	Confident	82.1	Confident	53 Å²	53	67.4 Å²	67.4	28%	0.283	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-50.8	-176	-28.5	-88.8	0	0	0	111.4	C157 C178 K180 R181	C157-D159 VanDerWaalsContact C-N 3.35Å; C157-D159 PolarHBondContact O-N 3.34Å; C157-D159 PolarHBondContact SG-N 2.89Å; C157-D159 VanDerWaalsContact SG-N 3.44Å; C157-D159 PolarHBondContact SG-OD2 3.12Å; D159-C178 PolarHBondContact OD2-SG 3.22Å; D159-C178 VanDerWaalsContact OD2-SG 3.42Å; D159-K180 HydrophobicContact CB-CB 4.08Å; D159-K180 WeakPolarHBondContact O-CD 3.33Å; D159-K180 WeakPolarHBondContact O-CE 3.19Å; D159-K180 PolarHBondContact O-NZ 2.99Å; D159-R181 HydrophobicContact CB-CB 4.49Å
160	C	87.7	Confident	83.9	Confident	37 Å²	37	63.5 Å²	63.5	25%	0.25	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-4.8	-171.3	82.8	0	0	0	0	115.4	C157 Q162 H173 K180	C157-C160 PolarHBondContact SG-N 2.81Å; C157-C160 PolarHBondContact SG-SG 3.32Å; C160-Q162 PolarHBondContact O-N 3.22Å; C160-Q162 VanDerWaalsContact O-N 3.09Å; C160-Q162 WeakPolarHBondContact SG-CB 3.35Å; C160-Q162 PolarHBondContact SG-N 3.13Å; C160-H173 PolarHBondContact SG-CE1 3.5Å; C160-H173 PolarHBondContact SG-NE2 2.89Å; C160-K180 HydrophobicContact CB-CD 4.08Å
161	S	88.6	Confident	86.1	Confident	90 Å²	90	53.3 Å²	53.3	63%	0.629	31%	0.307	S	S	*	.			trans	61	10	-178.3	-45.4	0	0	0	0	115.4	C157 R163	C157-S161 WeakPolarHBondContact O-CA 3.48Å; C157-S161 PolarHBondContact O-N 3.37Å; S161-R163 PolarHBondContact O-N 3.19Å
162	Q	88.7	Confident	87.8	Confident	96 Å²	96	49.6 Å²	49.6	45%	0.449	27%	0.268	S	S	.	.			trans	-62.3	132.7	171.8	-173.1	174.8	-0.1	0	0	110	S156 C157 C160 F164 H173	S156-Q162 WeakPolarHBondContact CA-O 3.47Å; C157-Q162 PolarHBondContact N-O 3.14Å; C160-Q162 PolarHBondContact O-N 3.22Å; C160-Q162 VanDerWaalsContact O-N 3.09Å; C160-Q162 WeakPolarHBondContact SG-CB 3.35Å; C160-Q162 PolarHBondContact SG-N 3.13Å; Q162-F164 HydrophobicContact CB-CE2 3.94Å; Q162-F164 HydrophobicContact CB-CZ 4.12Å; Q162-F164 HydrophobicContact CG-CE1 4.32Å; Q162-F164 HydrophobicContact CG-CE2 3.74Å; Q162-F164 HydrophobicContact CG-CZ 3.57Å; Q162-F164 WeakPolarHBondContact O-CE2 3.48Å; Q162-H173 PolarHBondContact OE1-CE1 2.96Å; Q162-H173 PolarHBondContact OE1-ND1 3.31Å
163	R	91.3	Very high	89.2	Confident	156 Å²	156	47.9 Å²	47.9	59%	0.589	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	145.8	179.6	-64.2	178	60.4	172.7	-4.3	110.7	H154 H155 S161	H154-R163 PolarHBondContact ND1-NH2 3.34Å; H155-R163 CarbonylContact O-C 3.5Å; H155-R163 WeakPolarHBondContact O-CA 3.41Å; S161-R163 PolarHBondContact O-N 3.19Å
164	F	91.7	Very high	90	Very high	13 Å²	13	44.8 Å²	44.8	6%	0.057	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.7	179.5	-59.2	-89.2	0	0	0	109.3	D64 H154 H155 Q162 P169 F170 H173	D64-F164 VanDerWaalsContact OD2-CA 3.3Å; D64-F164 WeakPolarHBondContact OD2-CA 3.44Å; H154-F164 CarbonylContact C-O 3.51Å; H154-F164 VanDerWaalsContact CA-O 3.23Å; H154-F164 WeakPolarHBondContact CA-O 3.48Å; H154-F164 WeakPolarHBondContact CB-O 3.42Å; H155-F164 HydrophobicContact CB-CB 4.35Å; H155-F164 PolarHBondContact N-O 2.78Å; H155-F164 PolarHBondContact O-N 2.9Å; Q162-F164 HydrophobicContact CB-CE2 3.94Å; Q162-F164 HydrophobicContact CB-CZ 4.12Å; Q162-F164 HydrophobicContact CG-CE1 4.32Å; Q162-F164 HydrophobicContact CG-CE2 3.74Å; Q162-F164 HydrophobicContact CG-CZ 3.57Å; Q162-F164 WeakPolarHBondContact O-CE2 3.48Å; F164-P169 HydrophobicContact CD1-CB 4.05Å; F164-F170 HydrophobicContact CB-CB 3.88Å; F164-F170 HydrophobicContact CD2-CB 3.87Å; F164-F170 AromaticContact CD2-CD2 3.89Å; F164-F170 HydrophobicContact CD2-CD2 3.89Å; F164-F170 HydrophobicContact CD2-CG 4.39Å; F164-F170 HydrophobicContact CE2-CD2 4.37Å; F164-F170 HydrophobicContact CG-CB 3.85Å; F164-H173 HydrophobicContact CE1-CB 3.9Å; F164-H173 HydrophobicContact CE2-CB 3.96Å; F164-H173 AromaticContact CE2-CD2 3.89Å; F164-H173 AromaticContact CE2-CG 3.79Å; F164-H173 HydrophobicContact CZ-CB 3.35Å; F164-H173 AromaticContact CZ-CD2 3.9Å; F164-H173 AromaticContact CZ-CG 3.32Å; F164-H173 AromaticContact CZ-ND1 3.57Å
165	Q	92	Very high	90.1	Very high	109 Å²	109	44.2 Å²	44.2	51%	0.509	23%	0.227	S	C	.	.	S	Bend	trans	-83.3	-40.5	176.3	-174.8	170.1	4.3	0	0	111.1	D64	D64-Q165 HydrophobicContact CB-CB 4.17Å; D64-Q165 PolarHBondContact OD1-N 2.9Å; D64-Q165 PolarHBondContact OD2-N 2.87Å
166	F	92.6	Very high	90	Very high	36 Å²	36	46 Å²	46	16%	0.158	24%	0.235	C	C	.	.	S	Bend	trans	-113.4	167.2	-173.4	-57.8	-90.8	0	0	0	113	D64 R96 D97 P169	D64-F166 HydrophobicContact CB-CD2 3.99Å; D64-F166 HydrophobicContact CB-CE2 4.41Å; D64-F166 WeakPolarHBondContact OD1-CD2 3.41Å; D64-F166 PolarHBondContact OD1-N 2.73Å; R96-F166 HydrophobicContact CB-CB 3.7Å; R96-F166 HydrophobicContact CB-CD1 4.01Å; R96-F166 HydrophobicContact CB-CD2 4.08Å; R96-F166 HydrophobicContact CB-CG 3.68Å; R96-F166 VanDerWaalsContact O-CB 3.32Å; R96-F166 WeakPolarHBondContact O-CB 3.18Å; D97-F166 HydrophobicContact CB-CD1 4.12Å; D97-F166 WeakPolarHBondContact OD2-CD1 3.26Å; D97-F166 VanDerWaalsContact OD2-CE1 3.32Å; D97-F166 WeakPolarHBondContact OD2-CE1 3.48Å; F166-P169 HydrophobicContact CB-CG 4.23Å
167	E	92.6	Very high	89.8	Confident	60 Å²	60	45.8 Å²	45.8	28%	0.28	23%	0.226	S	C	.	.	H	α-helix	trans	-76.7	-46.8	-173.3	-176.7	159.2	-154.1	0	0	113.1	R96 S142 F170 L171	R96-E167 PolarHBondContact O-N 3.48Å; S142-E167 PolarHBondContact OG-OE1 3.3Å; E167-F170 WeakPolarHBondContact O-CB 3.32Å; E167-F170 PolarHBondContact O-N 3.15Å; E167-F170 VanDerWaalsContact O-N 3.16Å; E167-L171 HydrophobicContact CG-CD1 3.78Å; E167-L171 HydrophobicContact CG-CG 3.98Å; E167-L171 WeakPolarHBondContact O-CG 3.4Å; E167-L171 PolarHBondContact O-N 3.11Å
168	F	94.3	Very high	89.7	Confident	13 Å²	13	45.8 Å²	45.8	6%	0.057	23%	0.226	C	C	.	.	H	α-helix	trans	-68.4	-37.8	-173	-56.8	-13.1	0	0	0	113.4	A95 R96 D97 K98 Q101 W129 F170 L171 A172	A95-F168 HydrophobicContact CB-CD2 3.99Å; A95-F168 HydrophobicContact CB-CE2 4.04Å; R96-F168 VanDerWaalsContact O-CB 3.26Å; R96-F168 WeakPolarHBondContact O-CB 3.24Å; R96-F168 WeakPolarHBondContact O-CG 3.41Å; R96-F168 PolarHBondContact O-N 2.86Å; D97-F168 WeakPolarHBondContact O-CE2 3.46Å; K98-F168 HydrophobicContact CB-CZ 4.1Å; Q101-F168 HydrophobicContact CB-CE2 4.37Å; W129-F168 HydrophobicContact CB-CD2 3.73Å; W129-F168 HydrophobicContact CB-CE2 3.52Å; W129-F168 HydrophobicContact CB-CZ 4.35Å; W129-F168 AromaticContact CD1-CD1 3.88Å; W129-F168 AromaticContact CD1-CD2 3.61Å; W129-F168 AromaticContact CD1-CE1 3.71Å; W129-F168 AromaticContact CD1-CE2 3.4Å; W129-F168 VanDerWaalsContact CD1-CE2 3.4Å; W129-F168 AromaticContact CD1-CG 3.86Å; W129-F168 AromaticContact CD1-CZ 3.46Å; W129-F168 VanDerWaalsContact CD1-CZ 3.46Å; W129-F168 HydrophobicContact CD2-CB 3.86Å; W129-F168 HydrophobicContact CD2-CD1 4.31Å; W129-F168 AromaticContact CD2-CD2 3.49Å; W129-F168 HydrophobicContact CD2-CD2 3.49Å; W129-F168 VanDerWaalsContact CD2-CD2 3.49Å; W129-F168 HydrophobicContact CD2-CE2 4.06Å; W129-F168 AromaticContact CD2-CG 3.64Å; W129-F168 HydrophobicContact CD2-CG 3.64Å; W129-F168 AromaticContact CE2-CD1 3.83Å; W129-F168 AromaticContact CE2-CD2 3.89Å; W129-F168 AromaticContact CE2-CG 3.53Å; W129-F168 HydrophobicContact CE3-CB 3.97Å; W129-F168 HydrophobicContact CE3-CD2 4.05Å; W129-F168 HydrophobicContact CE3-CG 4.2Å; W129-F168 HydrophobicContact CG-CD1 4.34Å; W129-F168 AromaticContact CG-CD2 3.32Å; W129-F168 HydrophobicContact CG-CD2 3.32Å; W129-F168 HydrophobicContact CG-CE1 4.39Å; W129-F168 AromaticContact CG-CE2 3.37Å; W129-F168 HydrophobicContact CG-CE2 3.37Å; W129-F168 AromaticContact CG-CG 3.85Å; W129-F168 HydrophobicContact CG-CG 3.85Å; W129-F168 AromaticContact CG-CZ 3.94Å; W129-F168 HydrophobicContact CG-CZ 3.94Å; W129-F168 HydrophobicContact CH2-CB 3.85Å; W129-F168 HydrophobicContact CZ2-CB 3.72Å; W129-F168 HydrophobicContact CZ2-CD1 4.34Å; W129-F168 HydrophobicContact CZ2-CG 4.04Å; W129-F168 HydrophobicContact CZ3-CB 3.96Å; W129-F168 AromaticContact NE1-CD1 3.53Å; W129-F168 AromaticContact NE1-CD2 3.92Å; W129-F168 AromaticContact NE1-CE1 3.71Å; W129-F168 AromaticContact NE1-CG 3.66Å; W129-F168 AromaticContact NE1-CZ 3.97Å; F168-F170 VanDerWaalsContact C-N 3.27Å; F168-F170 PolarHBondContact O-N 3.44Å; F168-L171 HydrophobicContact CD1-CD1 4.46Å; F168-L171 PolarHBondContact O-N 3.43Å; F168-A172 VanDerWaalsContact O-CB 3.22Å; F168-A172 WeakPolarHBondContact O-CB 3.42Å; F168-A172 PolarHBondContact O-N 3.17Å
169	P	92.6	Very high	89.5	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.032	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-34.2	171.3	-24	35.3	0	0	0	112.7	S62 R96 F164 F166 H173	S62-P169 WeakPolarHBondContact OG-CD 3.43Å; R96-P169 HydrophobicContact CB-CG 4.33Å; R96-P169 HydrophobicContact CG-CG 4.4Å; R96-P169 VanDerWaalsContact O-CD 3.27Å; R96-P169 WeakPolarHBondContact O-CD 3.26Å; F164-P169 HydrophobicContact CD1-CB 4.05Å; F166-P169 HydrophobicContact CB-CG 4.23Å; P169-H173 WeakPolarHBondContact O-CB 3.3Å; P169-H173 PolarHBondContact O-N 2.95Å
170	F	92.3	Very high	89.2	Confident	3 Å²	3	48.8 Å²	48.8	1%	0.013	24%	0.235	C	C	.	.	H	α-helix	trans	-69.4	-47.5	174.7	161.2	-108.3	0	0	0	112.1	A145 H155 S156 F164 E167 F168 H173 L174	A145-F170 HydrophobicContact CB-CE1 3.79Å; A145-F170 HydrophobicContact CB-CZ 3.86Å; H155-F170 HydrophobicContact CB-CB 3.71Å; H155-F170 HydrophobicContact CB-CD1 3.75Å; H155-F170 HydrophobicContact CB-CD2 3.75Å; H155-F170 HydrophobicContact CB-CE1 4.22Å; H155-F170 HydrophobicContact CB-CE2 4.23Å; H155-F170 HydrophobicContact CB-CG 3.47Å; H155-F170 VanDerWaalsContact CB-CG 3.47Å; H155-F170 HydrophobicContact CB-CZ 4.43Å; H155-F170 AromaticContact CG-CD1 3.91Å; H155-F170 AromaticContact ND1-CD1 3.45Å; H155-F170 WeakPolarHBondContact ND1-CD1 3.32Å; H155-F170 AromaticContact ND1-CE1 3.78Å; S156-F170 WeakPolarHBondContact O-CE2 3.23Å; F164-F170 HydrophobicContact CB-CB 3.88Å; F164-F170 HydrophobicContact CD2-CB 3.87Å; F164-F170 AromaticContact CD2-CD2 3.89Å; F164-F170 HydrophobicContact CD2-CD2 3.89Å; F164-F170 HydrophobicContact CD2-CG 4.39Å; F164-F170 HydrophobicContact CE2-CD2 4.37Å; F164-F170 HydrophobicContact CG-CB 3.85Å; E167-F170 WeakPolarHBondContact O-CB 3.32Å; E167-F170 PolarHBondContact O-N 3.15Å; E167-F170 VanDerWaalsContact O-N 3.16Å; F168-F170 VanDerWaalsContact C-N 3.27Å; F168-F170 PolarHBondContact O-N 3.44Å; F170-H173 WeakPolarHBondContact O-CB 3.21Å; F170-H173 PolarHBondContact O-N 2.98Å; F170-L174 HydrophobicContact CD1-CD1 4.46Å; F170-L174 HydrophobicContact CD2-CD1 4.43Å; F170-L174 HydrophobicContact CD2-CG 4.24Å; F170-L174 HydrophobicContact CE1-CD1 3.88Å; F170-L174 HydrophobicContact CE2-CD1 3.82Å; F170-L174 HydrophobicContact CE2-CD2 4.09Å; F170-L174 HydrophobicContact CE2-CG 3.93Å; F170-L174 HydrophobicContact CZ-CD1 3.54Å; F170-L174 HydrophobicContact CZ-CG 4.18Å; F170-L174 WeakPolarHBondContact O-CG 3.32Å; F170-L174 PolarHBondContact O-N 2.97Å
171	L	92	Very high	88.7	Confident	11 Å²	11	50 Å²	50	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-42.4	176.2	-64.7	-179.2	0	0	0	111.4	W129 L140 E167 F168 H173 L174 R175	W129-L171 HydrophobicContact CZ2-CB 4.5Å; L140-L171 HydrophobicContact CD2-CB 4.2Å; L140-L171 WeakPolarHBondContact CD2-O 3.15Å; L140-L171 WeakPolarHBondContact O-CD1 3.3Å; L140-L171 WeakPolarHBondContact O-CD2 3.43Å; E167-L171 HydrophobicContact CG-CD1 3.78Å; E167-L171 HydrophobicContact CG-CG 3.98Å; E167-L171 WeakPolarHBondContact O-CG 3.4Å; E167-L171 PolarHBondContact O-N 3.11Å; F168-L171 HydrophobicContact CD1-CD1 4.46Å; F168-L171 PolarHBondContact O-N 3.43Å; L171-H173 VanDerWaalsContact C-N 3.32Å; L171-H173 PolarHBondContact O-N 3.23Å; L171-L174 PolarHBondContact O-N 3.37Å; L171-R175 PolarHBondContact O-N 3.35Å; L171-R175 VanDerWaalsContact O-N 3.14Å
172	A	91.4	Very high	88	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-56.2	-45.4	171.4	0	0	0	0	0	111.8	A59 W129 F168 F176	A59-A172 HydrophobicContact CB-CB 3.81Å; A59-A172 VanDerWaalsContact O-CB 3.26Å; A59-A172 WeakPolarHBondContact O-CB 3.49Å; W129-A172 HydrophobicContact CH2-CB 4.19Å; F168-A172 VanDerWaalsContact O-CB 3.22Å; F168-A172 WeakPolarHBondContact O-CB 3.42Å; F168-A172 PolarHBondContact O-N 3.17Å; A172-F176 WeakPolarHBondContact O-CB 3.46Å; A172-F176 WeakPolarHBondContact O-CD2 3.36Å; A172-F176 PolarHBondContact O-N 3.43Å
173	H	90.4	Very high	87.2	Confident	7 Å²	7	50.5 Å²	50.5	3%	0.032	23%	0.229	C	C	.	.	I	π-helix	trans	-62.3	-50.6	176	169.8	94.5	0	0	0	112.1	C157 C160 Q162 F164 P169 F170 L171 R175 R177 C178	C157-H173 PolarHBondContact SG-NE2 3.47Å; C157-H173 VanDerWaalsContact SG-NE2 3.39Å; C160-H173 PolarHBondContact SG-CE1 3.5Å; C160-H173 PolarHBondContact SG-NE2 2.89Å; Q162-H173 PolarHBondContact OE1-CE1 2.96Å; Q162-H173 PolarHBondContact OE1-ND1 3.31Å; F164-H173 HydrophobicContact CE1-CB 3.9Å; F164-H173 HydrophobicContact CE2-CB 3.96Å; F164-H173 AromaticContact CE2-CD2 3.89Å; F164-H173 AromaticContact CE2-CG 3.79Å; F164-H173 HydrophobicContact CZ-CB 3.35Å; F164-H173 AromaticContact CZ-CD2 3.9Å; F164-H173 AromaticContact CZ-CG 3.32Å; F164-H173 AromaticContact CZ-ND1 3.57Å; P169-H173 WeakPolarHBondContact O-CB 3.3Å; P169-H173 PolarHBondContact O-N 2.95Å; F170-H173 WeakPolarHBondContact O-CB 3.21Å; F170-H173 PolarHBondContact O-N 2.98Å; L171-H173 VanDerWaalsContact C-N 3.32Å; L171-H173 PolarHBondContact O-N 3.23Å; H173-R175 PolarHBondContact O-N 3.13Å; H173-R177 CarbonylContact O-C 3.46Å; H173-R177 PolarHBondContact O-N 2.65Å; H173-C178 WeakPolarHBondContact NE2-CB 3.34Å; H173-C178 WeakPolarHBondContact O-CB 3.3Å; H173-C178 PolarHBondContact O-N 2.88Å
174	L	87.7	Confident	85.9	Confident	27 Å²	27	46.5 Å²	46.5	14%	0.141	23%	0.225	C	C	.	.	I	π-helix	trans	-56.4	-35.2	-178.2	-73.2	-175.1	0	0	0	112.9	C157 F170 L171 R181	C157-L174 HydrophobicContact CB-CD2 4.19Å; F170-L174 HydrophobicContact CD1-CD1 4.46Å; F170-L174 HydrophobicContact CD2-CD1 4.43Å; F170-L174 HydrophobicContact CD2-CG 4.24Å; F170-L174 HydrophobicContact CE1-CD1 3.88Å; F170-L174 HydrophobicContact CE2-CD1 3.82Å; F170-L174 HydrophobicContact CE2-CD2 4.09Å; F170-L174 HydrophobicContact CE2-CG 3.93Å; F170-L174 HydrophobicContact CZ-CD1 3.54Å; F170-L174 HydrophobicContact CZ-CG 4.18Å; F170-L174 WeakPolarHBondContact O-CG 3.32Å; F170-L174 PolarHBondContact O-N 2.97Å; L171-L174 PolarHBondContact O-N 3.37Å; L174-R181 PolarHBondContact O-NH1 3.5Å
175	R	86.5	Confident	84.6	Confident	55 Å²	55	48.7 Å²	48.7	21%	0.208	24%	0.237	C	C	.	.	I	π-helix	trans	-93.6	-37.1	-177.2	-173.6	51.2	151.2	143.9	-4.9	114.3	L138 L140 L171 H173	L138-R175 PolarHBondContact O-NE 3.2Å; L138-R175 PolarHBondContact O-NH2 2.67Å; L140-R175 HydrophobicContact CD2-CB 3.52Å; L140-R175 HydrophobicContact CD2-CG 3.98Å; L171-R175 PolarHBondContact O-N 3.35Å; L171-R175 VanDerWaalsContact O-N 3.14Å; H173-R175 PolarHBondContact O-N 3.13Å
176	F	85.2	Confident	83	Confident	55 Å²	55	47.3 Å²	47.3	24%	0.241	24%	0.236	C	C	.	.	I	π-helix	trans	-121	-14.8	-167.6	-55.2	-82.9	0	0	0	115.4	A56 A59 L60 L138 L140 A172	A56-F176 HydrophobicContact CB-CD1 4.21Å; A56-F176 HydrophobicContact CB-CE1 3.86Å; A59-F176 HydrophobicContact CB-CD2 3.47Å; A59-F176 VanDerWaalsContact CB-CD2 3.47Å; A59-F176 HydrophobicContact CB-CE2 3.43Å; A59-F176 VanDerWaalsContact CB-CE2 3.43Å; A59-F176 HydrophobicContact CB-CG 4.37Å; A59-F176 HydrophobicContact CB-CZ 4.3Å; L60-F176 HydrophobicContact CD1-CB 3.78Å; L60-F176 HydrophobicContact CD1-CG 4.29Å; L138-F176 HydrophobicContact CD1-CZ 4.31Å; L138-F176 HydrophobicContact CD2-CZ 4.17Å; L140-F176 HydrophobicContact CD2-CE2 4.29Å; A172-F176 WeakPolarHBondContact O-CB 3.46Å; A172-F176 WeakPolarHBondContact O-CD2 3.36Å; A172-F176 PolarHBondContact O-N 3.43Å
177	R	85.7	Confident	81.1	Confident	48 Å²	48	52.2 Å²	52.2	18%	0.181	26%	0.259	C	S	.	.	I	π-helix	trans	-128.1	-13	-172.2	-44.4	179.9	95.9	140.8	1.1	115.2	L60 H173 T179 S495 F496	L60-R177 PolarHBondContact O-NH1 2.87Å; H173-R177 CarbonylContact O-C 3.46Å; H173-R177 PolarHBondContact O-N 2.65Å; R177-T179 PolarHBondContact O-N 2.95Å; R177-T179 VanDerWaalsContact O-N 3.08Å; R177-S495 PolarHBondContact NH2-O 3.3Å; R177-F496 VanDerWaalsContact NH2-CE2 3.34Å
178	C	87.7	Confident	79.2	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.014	27%	0.273	C	S	.	.			trans	-74	97.3	178.8	-172.9	0	0	0	0	111.7	C157 D159 H173 K180 R181 L182	C157-C178 VanDerWaalsContact SG-SG 3.64Å; D159-C178 PolarHBondContact OD2-SG 3.22Å; D159-C178 VanDerWaalsContact OD2-SG 3.42Å; H173-C178 WeakPolarHBondContact NE2-CB 3.34Å; H173-C178 WeakPolarHBondContact O-CB 3.3Å; H173-C178 PolarHBondContact O-N 2.88Å; C178-K180 PolarHBondContact O-N 2.6Å; C178-R181 HydrophobicContact CB-CB 3.91Å; C178-R181 PolarHBondContact O-N 2.84Å; C178-L182 WeakPolarHBondContact O-CG 3.45Å; C178-L182 PolarHBondContact O-N 3.49Å
179	T	82.5	Confident	77	Confident	92 Å²	92	58.4 Å²	58.4	56%	0.564	31%	0.305	S	S	*	.	H	α-helix	trans	-58.2	-45.3	-177.8	50.9	0	0	0	0	113	R177 R181 L182 Q183	R177-T179 PolarHBondContact O-N 2.95Å; R177-T179 VanDerWaalsContact O-N 3.08Å; T179-R181 VanDerWaalsContact C-N 3.31Å; T179-R181 PolarHBondContact O-N 3.47Å; T179-L182 PolarHBondContact O-N 2.83Å; T179-Q183 WeakPolarHBondContact O-CB 3.31Å; T179-Q183 VanDerWaalsContact O-CG 3.29Å; T179-Q183 WeakPolarHBondContact O-CG 3.32Å; T179-Q183 PolarHBondContact O-N 2.91Å
180	K	80.8	Confident	74.9	Confident	108 Å²	108	64.1 Å²	64.1	47%	0.47	33%	0.329	S	S	.	.	H	α-helix	trans	-58.9	-40.1	177	-70.2	-176	-179.3	-171.8	0	112.8	D159 C160 C178 Q183 S184	D159-K180 HydrophobicContact CB-CB 4.08Å; D159-K180 WeakPolarHBondContact O-CD 3.33Å; D159-K180 WeakPolarHBondContact O-CE 3.19Å; D159-K180 PolarHBondContact O-NZ 2.99Å; C160-K180 HydrophobicContact CB-CD 4.08Å; C178-K180 PolarHBondContact O-N 2.6Å; K180-Q183 PolarHBondContact O-N 3.07Å; K180-S184 WeakPolarHBondContact O-CB 3.42Å; K180-S184 PolarHBondContact O-N 3.46Å
181	R	77.1	Confident	72.4	Confident	64 Å²	64	71.9 Å²	71.9	24%	0.242	37%	0.365	C	S	.	.	H	α-helix	trans	-72	-38.8	-179.9	-167.6	170.9	179.3	-108.3	-6.4	111.7	D159 L174 C178 T179 Q183 S184 I185	D159-R181 HydrophobicContact CB-CB 4.49Å; L174-R181 PolarHBondContact O-NH1 3.5Å; C178-R181 HydrophobicContact CB-CB 3.91Å; C178-R181 PolarHBondContact O-N 2.84Å; T179-R181 VanDerWaalsContact C-N 3.31Å; T179-R181 PolarHBondContact O-N 3.47Å; R181-Q183 VanDerWaalsContact C-N 3.34Å; R181-S184 PolarHBondContact O-N 3.27Å; R181-I185 HydrophobicContact CG-CD1 4.44Å; R181-I185 WeakPolarHBondContact O-CD1 3.41Å; R181-I185 WeakPolarHBondContact O-CG1 3.33Å; R181-I185 PolarHBondContact O-N 2.84Å; R181-I185 VanDerWaalsContact O-N 3.11Å
182	L	73.4	Confident	70.1	Confident	84 Å²	84	76.5 Å²	76.5	44%	0.44	40%	0.396	S	S	.	.	H	α-helix	trans	-63.3	-39.8	172.1	-67.9	166	0	0	0	111.6	C178 T179 T186	C178-L182 WeakPolarHBondContact O-CG 3.45Å; C178-L182 PolarHBondContact O-N 3.49Å; T179-L182 PolarHBondContact O-N 2.83Å; L182-T186 WeakPolarHBondContact O-CB 3.42Å; L182-T186 PolarHBondContact O-N 3.28Å; L182-T186 VanDerWaalsContact O-N 3.15Å; L182-T186 PolarHBondContact O-OG1 2.77Å
183	Q	70.9	Confident	67.8	Low	112 Å²	112	80.2 Å²	80.2	52%	0.523	43%	0.434	S	S	.	.	H	α-helix	trans	-62.9	-50.4	173.4	-73.6	164.9	-23.1	0	0	111.6	T179 K180 R181 I185 T186 E187	T179-Q183 WeakPolarHBondContact O-CB 3.31Å; T179-Q183 VanDerWaalsContact O-CG 3.29Å; T179-Q183 WeakPolarHBondContact O-CG 3.32Å; T179-Q183 PolarHBondContact O-N 2.91Å; K180-Q183 PolarHBondContact O-N 3.07Å; R181-Q183 VanDerWaalsContact C-N 3.34Å; Q183-I185 VanDerWaalsContact C-N 3.32Å; Q183-I185 PolarHBondContact O-N 3.15Å; Q183-T186 CarbonylContact O-C 3.58Å; Q183-T186 WeakPolarHBondContact O-CA 3.46Å; Q183-T186 WeakPolarHBondContact O-CB 3.31Å; Q183-T186 PolarHBondContact O-N 3.23Å; Q183-E187 PolarHBondContact O-N 3.43Å
184	S	65.3	Low	65.4	Low	72 Å²	72	89 Å²	89	50%	0.503	47%	0.472	S	S	.	.	H	α-helix	trans	-56.4	-41.4	178.5	174	0	0	0	0	113.2	K180 R181 T186 E187 A188	K180-S184 WeakPolarHBondContact O-CB 3.42Å; K180-S184 PolarHBondContact O-N 3.46Å; R181-S184 PolarHBondContact O-N 3.27Å; S184-T186 VanDerWaalsContact C-N 3.34Å; S184-E187 PolarHBondContact O-N 3.41Å; S184-A188 WeakPolarHBondContact O-CB 3.47Å; S184-A188 PolarHBondContact O-N 3.3Å
185	I	64.1	Low	62.8	Low	58 Å²	58	96.4 Å²	96.4	30%	0.297	51%	0.506	S	S	.	.	H	α-helix	trans	-64.4	-40	174.4	-64.7	162.7	0	0	0	110.9	R181 Q183 E187 A188	R181-I185 HydrophobicContact CG-CD1 4.44Å; R181-I185 WeakPolarHBondContact O-CD1 3.41Å; R181-I185 WeakPolarHBondContact O-CG1 3.33Å; R181-I185 PolarHBondContact O-N 2.84Å; R181-I185 VanDerWaalsContact O-N 3.11Å; Q183-I185 VanDerWaalsContact C-N 3.32Å; Q183-I185 PolarHBondContact O-N 3.15Å; I185-E187 VanDerWaalsContact C-N 3.26Å; I185-E187 PolarHBondContact O-N 3.24Å; I185-A188 PolarHBondContact O-N 2.91Å
186	T	57.5	Low	60.2	Low	81 Å²	81	98.5 Å²	98.5	50%	0.497	53%	0.529	S	S	.	.	H	α-helix	trans	-71.3	-19.4	179.9	-52	0	0	0	0	113.4	L182 Q183 S184	L182-T186 WeakPolarHBondContact O-CB 3.42Å; L182-T186 PolarHBondContact O-N 3.28Å; L182-T186 VanDerWaalsContact O-N 3.15Å; L182-T186 PolarHBondContact O-OG1 2.77Å; Q183-T186 CarbonylContact O-C 3.58Å; Q183-T186 WeakPolarHBondContact O-CA 3.46Å; Q183-T186 WeakPolarHBondContact O-CB 3.31Å; Q183-T186 PolarHBondContact O-N 3.23Å; S184-T186 VanDerWaalsContact C-N 3.34Å
187	E	52.8	Low	58	Low	138 Å²	138	101.5 Å²	101.5	65%	0.645	56%	0.557	S	S	*	*	H	α-helix	trans	-94	-31.8	176	-69.8	179.8	165.9	0	0	112.2	Q183 S184 I185 D189 K190	Q183-E187 PolarHBondContact O-N 3.43Å; S184-E187 PolarHBondContact O-N 3.41Å; I185-E187 VanDerWaalsContact C-N 3.26Å; I185-E187 PolarHBondContact O-N 3.24Å; E187-D189 VanDerWaalsContact C-N 3.26Å; E187-D189 PolarHBondContact O-N 2.81Å; E187-K190 WeakPolarHBondContact O-CA 3.44Å; E187-K190 WeakPolarHBondContact O-CB 3.13Å; E187-K190 PolarHBondContact O-N 2.96Å
188	A	52.5	Low	55.6	Low	68 Å²	68	107 Å²	107	56%	0.562	59%	0.589	S	S	*	*	H	α-helix	trans	-62.6	-28.6	174.4	0	0	0	0	0	113.7	S184 I185 K190	S184-A188 WeakPolarHBondContact O-CB 3.47Å; S184-A188 PolarHBondContact O-N 3.3Å; I185-A188 PolarHBondContact O-N 2.91Å; A188-K190 PolarHBondContact O-N 3.4Å
189	D	49.5	Very low	53.1	Low	136 Å²	136	113.8 Å²	113.8	73%	0.727	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	6.2	171	-86.6	-21.7	0	0	0	113.6	E187	E187-D189 VanDerWaalsContact C-N 3.26Å; E187-D189 PolarHBondContact O-N 2.81Å
190	K	48.1	Very low	50.8	Low	125 Å²	125	119.8 Å²	119.8	54%	0.543	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-129.4	49.3	-177.6	-64.9	179.5	-175.9	160.5	0	113.4	E187 A188 P192	E187-K190 WeakPolarHBondContact O-CA 3.44Å; E187-K190 WeakPolarHBondContact O-CB 3.13Å; E187-K190 PolarHBondContact O-N 2.96Å; A188-K190 PolarHBondContact O-N 3.4Å; K190-P192 WeakPolarHBondContact O-CD 3.2Å
191	E	39.5	Very low	48.9	Very low	166 Å²	166	120 Å²	120	78%	0.776	65%	0.645	S	S	*	*			trans	-53.3	122.9	170.5	-86.5	-63.7	111.5	0	0	112.2	G193	E191-G193 PolarHBondContact O-N 3.24Å
192	P	42.7	Very low	46.5	Very low	108 Å²	108	124.5 Å²	124.5	70%	0.701	67%	0.673	S	S	*	*			trans	-82	96	-178.3	32.2	-33.2	0	0	0	110.7	K190 K194	K190-P192 WeakPolarHBondContact O-CD 3.2Å; P192-K194 PolarHBondContact O-N 3.3Å
193	G	43.5	Very low	44.4	Very low	78 Å²	78	127.3 Å²	127.3	80%	0.804	69%	0.694	S	S	*	*			trans	-67	84.7	179.4	0	0	0	0	0	114.5	E191	E191-G193 PolarHBondContact O-N 3.24Å
194	K	40.3	Very low	42.6	Very low	193 Å²	193	128.1 Å²	128.1	84%	0.839	71%	0.707	S	S	*	*			trans	-174.9	114.5	157.2	-108.6	170.3	-175.3	-176.8	0	112.7	P192	P192-K194 PolarHBondContact O-N 3.3Å
195	E	32.5	Very low	41.3	Very low	181 Å²	181	130.3 Å²	130.3	85%	0.846	72%	0.72	S	S	*	*				176.2	108.8	121.5	-98.5	171.6	-160.4	0	0	108.6
196	S	33.1	Very low	39.5	Very low	100 Å²	100	132.9 Å²	132.9	70%	0.699	74%	0.743	S	S	*	*				92.9	103.6	88.2	73.3	0	0	0	0	112
197	S	38.4	Very low	38.1	Very low	118 Å²	118	139.3 Å²	139.3	83%	0.825	76%	0.758	S	S	*	*			trans	-73	133.3	-177.1	51	0	0	0	0	113.6
198	I	35.9	Very low	37	Very low	164 Å²	164	139.5 Å²	139.5	84%	0.841	76%	0.763	S	S	*	*			trans	-132.4	113.5	160.4	-61.8	-178.5	0	0	0	108.7
199	E	34.7	Very low	36	Very low	143 Å²	143	141.7 Å²	141.7	67%	0.668	78%	0.775	S	S	*	*			trans	-77.4	151.9	162.7	-56.7	-177	136.6	0	0	109.3
200	R	35.3	Very low	35.7	Very low	218 Å²	218	141.2 Å²	141.2	82%	0.823	78%	0.779	S	S	*	*				164.4	173.5	82.9	-80.8	-162.9	177.8	168.2	2	108.5
201	P	39.1	Very low	35	Very low	114 Å²	114	144 Å²	144	74%	0.74	79%	0.791	S	S	*	*			cis	-125.4	179.7	-27.3	31.6	-13.3	0	0	0	112.4
202	N	26.9	Very low	34.5	Very low	157 Å²	157	144 Å²	144	84%	0.84	80%	0.796	S	S	*	*			trans	-76.9	141.8	170.7	-69.3	-33.2	0	0	0	113.1
203	T	29.6	Very low	33.8	Very low	143 Å²	143	142.4 Å²	142.4	88%	0.877	80%	0.798	S	S	*	*			trans	-137.8	125.5	148.8	39.4	0	0	0	0	110.6
204	T	34.2	Very low	33	Very low	130 Å²	130	149.9 Å²	149.9	80%	0.798	80%	0.802	S	S	*	*			trans	-126.3	149.5	171.9	54.1	0	0	0	0	109.6
205	P	36.8	Very low	32.5	Very low	118 Å²	118	145.3 Å²	145.3	77%	0.766	80%	0.795	S	S	*	*			trans	-126.3	148.8	149.7	36.4	-26.2	0	0	0	113.1
206	S	26.8	Very low	32.3	Very low	111 Å²	111	145.8 Å²	145.8	78%	0.776	80%	0.797	S	S	*	*			trans	41.3	112.4	165.5	-69.2	0	0	0	0	119.9
207	R	28.7	Very low	32.2	Very low	217 Å²	217	144.3 Å²	144.3	82%	0.819	80%	0.798	S	S	*	*				68.5	104.4	64.1	-177	-163.3	164.3	172.8	0.2	113.2
208	N	28.8	Very low	31.8	Very low	141 Å²	141	149 Å²	149	75%	0.754	80%	0.804	S	S	*	*				-162.8	147.9	116.6	-95.5	-26.5	0	0	0	111
209	S	31.7	Very low	31.4	Very low	115 Å²	115	146.9 Å²	146.9	80%	0.804	80%	0.803	S	S	*	*			trans	-136	156.5	171	-48.6	0	0	0	0	107.7
210	P	43.5	Very low	31	Very low	125 Å²	125	144.8 Å²	144.8	81%	0.812	80%	0.804	S	S	*	*				-141.8	150	106.5	34.6	-20.6	0	0	0	115.9
211	K	32.1	Very low	30.9	Very low	185 Å²	185	140.2 Å²	140.2	80%	0.804	80%	0.803	S	S	*	*			trans	-3	146.2	132.9	-74.8	175.7	179.6	178.9	0	116.2
212	L	29.7	Very low	30.5	Very low	166 Å²	166	143.6 Å²	143.6	87%	0.869	81%	0.808	S	S	*	*			cis	-161.6	150.7	28.5	-123.8	151.6	0	0	0	110.7
213	G	27.7	Very low	30.7	Very low	74 Å²	74	142.4 Å²	142.4	76%	0.763	80%	0.802	S	S	*	*			trans	-175.5	151.6	174.8	0	0	0	0	0	111.6
214	R	27.6	Very low	30.8	Very low	234 Å²	234	143.3 Å²	143.3	88%	0.883	80%	0.801	S	S	*	*			trans	-141.8	126	-165.2	-176.7	-158.2	173.4	165.9	-2.1	111.2
215	S	29.1	Very low	30.9	Very low	98 Å²	98	143.7 Å²	143.7	69%	0.685	80%	0.799	S	S	*	*			trans	52.7	145	156.1	66.6	0	0	0	0	118.9
216	E	29.5	Very low	30.9	Very low	191 Å²	191	147.3 Å²	147.3	89%	0.893	80%	0.802	S	S	*	*			cis	-129.7	-174	15.5	-69.2	179.2	131.8	0	0	111.5
217	G	30.2	Very low	31.5	Very low	69 Å²	69	147.4 Å²	147.4	71%	0.711	80%	0.8	S	S	*	*			trans	-94.7	154.4	-169	0	0	0	0	0	115.7
218	F	29.9	Very low	31.7	Very low	217 Å²	217	140.5 Å²	140.5	95%	0.952	79%	0.785	S	S	*	*			trans	-138.4	139.4	159.2	-119.1	-89.8	0	0	0	109.7
219	S	28.1	Very low	32.7	Very low	118 Å²	118	136.4 Å²	136.4	83%	0.825	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-82.8	126.1	-175	-53.7	0	0	0	0	111.7
220	S	25.5	Very low	33.1	Very low	100 Å²	100	134.2 Å²	134.2	70%	0.699	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-68.7	146.8	164.7	-175.2	0	0	0	0	110.3
221	P	33.3	Very low	33.1	Very low	121 Å²	121	135.2 Å²	135.2	79%	0.786	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-58.7	141.1	169.6	-21.8	33.5	0	0	0	111.3
222	H	31	Very low	33.6	Very low	186 Å²	186	133.1 Å²	133.1	86%	0.861	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-82.3	142.8	177.3	-100.8	-81.7	0	0	0	112.3	N224	H222-N224 PolarHBondContact O-N 2.86Å
223	D	30.7	Very low	34.6	Very low	131 Å²	131	126.9 Å²	126.9	70%	0.701	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-52.1	119.4	167.9	-87.9	-83.1	0	0	0	112.7	N225	D223-N225 VanDerWaalsContact C-N 3.31Å; D223-N225 PolarHBondContact OD1-ND2 3.42Å
224	N	32.7	Very low	36	Very low	162 Å²	162	124.9 Å²	124.9	87%	0.866	67%	0.668	S	S	*	*			trans	-98.7	27.9	171.2	-125	-0.9	0	0	0	111.8	H222 K226	H222-N224 PolarHBondContact O-N 2.86Å; N224-K226 VanDerWaalsContact C-N 3.31Å; N224-K226 PolarHBondContact O-N 3.43Å
225	N	35.3	Very low	36.9	Very low	139 Å²	139	115.4 Å²	115.4	74%	0.743	64%	0.64	S	S	*	*			trans	-82	62.9	-172	-82.2	-49.6	0	0	0	113.1	D223	D223-N225 VanDerWaalsContact C-N 3.31Å; D223-N225 PolarHBondContact OD1-ND2 3.42Å
226	K	36.5	Very low	37.7	Very low	194 Å²	194	117.3 Å²	117.3	84%	0.843	63%	0.632	S	S	*	*			trans	-148.7	126.4	167.3	-115.3	170.1	-175.6	175.1	0	112.5	N224 S228	N224-K226 VanDerWaalsContact C-N 3.31Å; N224-K226 PolarHBondContact O-N 3.43Å; K226-S228 PolarHBondContact O-N 2.91Å
227	P	39.4	Very low	38.6	Very low	112 Å²	112	111.8 Å²	111.8	73%	0.727	61%	0.609	S	S	*	*			trans	-80.4	98.8	-178.5	31.9	-33.4	0	0	0	111.1	T229	P227-T229 PolarHBondContact O-N 2.62Å
228	S	33	Very low	39.6	Very low	72 Å²	72	111.3 Å²	111.3	50%	0.503	59%	0.59	S	S	.	*			trans	-75.1	92.8	166.9	-163.8	0	0	0	0	109.7	K226 D230 N233	K226-S228 PolarHBondContact O-N 2.91Å; S228-D230 PolarHBondContact O-N 3.36Å; S228-N233 PolarHBondContact OG-ND2 2.58Å; S228-N233 VanDerWaalsContact OG-ND2 3.14Å
229	T	49.5	Very low	40.5	Very low	56 Å²	56	107.8 Å²	107.8	34%	0.344	58%	0.576	S	S	.	*			trans	-82.7	21.7	168.5	40.9	0	0	0	0	112.8	P227 F231	P227-T229 PolarHBondContact O-N 2.62Å; T229-F231 WeakPolarHBondContact O-CD2 3.49Å; T229-F231 PolarHBondContact O-N 3.36Å
230	D	40.9	Very low	41.1	Very low	68 Å²	68	108.6 Å²	108.6	36%	0.364	57%	0.565	S	S	.	*			trans	-79.4	108.6	175	176.6	6.4	0	0	0	110.5	S228 H232 N233	S228-D230 PolarHBondContact O-N 3.36Å; D230-H232 PolarHBondContact O-N 2.86Å; D230-H232 VanDerWaalsContact O-N 3.14Å; D230-H232 WeakPolarHBondContact OD1-CB 3.3Å; D230-H232 IonicContact OD1-CG 3.58Å; D230-H232 PolarHBondContact OD1-N 3.05Å; D230-N233 HydrophobicContact CB-CB 4.47Å; D230-N233 WeakPolarHBondContact CB-ND2 3.49Å; D230-N233 PolarHBondContact O-N 2.83Å; D230-N233 VanDerWaalsContact OD2-CG 3.28Å; D230-N233 PolarHBondContact OD2-ND2 2.87Å; D230-N233 PolarHBondContact OD2-OD1 3.15Å
231	F	43.2	Very low	41.8	Very low	146 Å²	146	109.8 Å²	109.8	64%	0.64	56%	0.563	S	S	*	*	H	α-helix	trans	-57.9	-24	177.9	-66	-97.7	0	0	0	113.3	T229 A235	T229-F231 WeakPolarHBondContact O-CD2 3.49Å; T229-F231 PolarHBondContact O-N 3.36Å; F231-A235 PolarHBondContact O-N 2.73Å
232	H	43.2	Very low	42.5	Very low	141 Å²	141	112.9 Å²	112.9	65%	0.653	56%	0.56	S	S	*	*	H	α-helix	trans	-79.1	-21	177.6	-66	21.2	0	0	0	112.9	D230 R236	D230-H232 PolarHBondContact O-N 2.86Å; D230-H232 VanDerWaalsContact O-N 3.14Å; D230-H232 WeakPolarHBondContact OD1-CB 3.3Å; D230-H232 IonicContact OD1-CG 3.58Å; D230-H232 PolarHBondContact OD1-N 3.05Å; H232-R236 PolarHBondContact O-N 2.87Å
233	N	50.8	Low	42.6	Very low	36 Å²	36	108.9 Å²	108.9	19%	0.193	55%	0.552	C	S	.	*	H	α-helix	trans	-77.7	-39.6	173.2	-64	-32.9	0	0	0	111	S228 D230 A235 R236 D237	S228-N233 PolarHBondContact OG-ND2 2.58Å; S228-N233 VanDerWaalsContact OG-ND2 3.14Å; D230-N233 HydrophobicContact CB-CB 4.47Å; D230-N233 WeakPolarHBondContact CB-ND2 3.49Å; D230-N233 PolarHBondContact O-N 2.83Å; D230-N233 VanDerWaalsContact OD2-CG 3.28Å; D230-N233 PolarHBondContact OD2-ND2 2.87Å; D230-N233 PolarHBondContact OD2-OD1 3.15Å; N233-A235 PolarHBondContact O-N 3.38Å; N233-R236 PolarHBondContact O-N 2.82Å; N233-R236 PolarHBondContact OD1-NH1 3.27Å; N233-R236 PolarHBondContact OD1-NH2 3.48Å; N233-D237 PolarHBondContact O-N 2.41Å
234	L	56.1	Low	42.7	Very low	31 Å²	31	106.9 Å²	106.9	16%	0.162	55%	0.548	C	S	.	.	H	α-helix	trans	-55.7	-38	171.4	-96.2	77.7	0	0	0	112.9	L137 L238	L137-L234 HydrophobicContact CD1-CD2 4.02Å; L137-L234 HydrophobicContact CD1-CG 3.85Å; L137-L234 HydrophobicContact CG-CD2 4.01Å; L137-L234 HydrophobicContact CG-CG 4.4Å; L234-L238 PolarHBondContact O-N 3.02Å
235	A	46.2	Very low	42.4	Very low	35 Å²	35	104.2 Å²	104.2	29%	0.289	54%	0.543	S	S	.	.	H	α-helix	trans	-64.9	-44.9	175	0	0	0	0	0	111.7	Y52 F231 N233 D237 L238 E239	Y52-A235 WeakPolarHBondContact OH-CA 3.47Å; Y52-A235 WeakPolarHBondContact OH-CB 3.47Å; Y52-A235 PolarHBondContact OH-N 3.37Å; F231-A235 PolarHBondContact O-N 2.73Å; N233-A235 PolarHBondContact O-N 3.38Å; A235-D237 PolarHBondContact O-N 3.09Å; A235-L238 WeakPolarHBondContact O-CB 3.48Å; A235-L238 PolarHBondContact O-N 3.5Å; A235-E239 WeakPolarHBondContact O-CG 3.46Å; A235-E239 PolarHBondContact O-N 3.21Å; A235-E239 VanDerWaalsContact O-N 3.17Å
236	R	47.8	Very low	42.4	Very low	139 Å²	139	103.9 Å²	103.9	53%	0.525	55%	0.548	S	S	.	.	H	α-helix	trans	-66.7	-35.2	179.4	-160.6	-178.3	-54.6	118.7	15.9	112.8	H232 N233 E239 K240	H232-R236 PolarHBondContact O-N 2.87Å; N233-R236 PolarHBondContact O-N 2.82Å; N233-R236 PolarHBondContact OD1-NH1 3.27Å; N233-R236 PolarHBondContact OD1-NH2 3.48Å; R236-E239 PolarHBondContact O-N 2.86Å; R236-K240 VanDerWaalsContact O-CB 3.27Å; R236-K240 WeakPolarHBondContact O-CB 3.49Å; R236-K240 PolarHBondContact O-N 3.32Å
237	D	47.4	Very low	42.1	Very low	74 Å²	74	100.6 Å²	100.6	40%	0.396	54%	0.544	S	S	.	.	H	α-helix	trans	-72.6	-35	178.2	-69.4	-36.5	0	0	0	112	N233 A235 E239 K240 N241	N233-D237 PolarHBondContact O-N 2.41Å; A235-D237 PolarHBondContact O-N 3.09Å; D237-E239 VanDerWaalsContact C-N 3.32Å; D237-E239 PolarHBondContact O-N 3.46Å; D237-K240 PolarHBondContact O-N 3.36Å; D237-N241 PolarHBondContact O-N 2.58Å
238	L	50.8	Low	41.9	Very low	60 Å²	60	103 Å²	103	31%	0.314	55%	0.551	S	S	.	*	H	α-helix	trans	-60.7	-37.9	168.3	-85.2	165.3	0	0	0	112.6	L137 L234 A235	L137-L238 HydrophobicContact CD2-CD1 3.91Å; L137-L238 HydrophobicContact CD2-CD2 4.09Å; L137-L238 HydrophobicContact CD2-CG 4Å; L234-L238 PolarHBondContact O-N 3.02Å; A235-L238 WeakPolarHBondContact O-CB 3.48Å; A235-L238 PolarHBondContact O-N 3.5Å
239	E	50.2	Low	42	Very low	142 Å²	142	109 Å²	109	66%	0.664	57%	0.568	S	S	*	*	H	α-helix	trans	-72.4	-39.4	174.7	-68.9	177.8	152.3	0	0	112.1	A235 R236 D237 R242	A235-E239 WeakPolarHBondContact O-CG 3.46Å; A235-E239 PolarHBondContact O-N 3.21Å; A235-E239 VanDerWaalsContact O-N 3.17Å; R236-E239 PolarHBondContact O-N 2.86Å; D237-E239 VanDerWaalsContact C-N 3.32Å; D237-E239 PolarHBondContact O-N 3.46Å; E239-R242 WeakPolarHBondContact O-CB 3.25Å; E239-R242 PolarHBondContact O-N 3.45Å; E239-R242 VanDerWaalsContact O-N 3.15Å
240	K	39.3	Very low	41	Very low	136 Å²	136	116.1 Å²	116.1	59%	0.591	60%	0.597	S	S	*	*	H	α-helix	trans	-66.7	-39.5	-178.1	-174.7	-177.4	176.5	-169.4	0	113.2	R236 D237 R242 S243	R236-K240 VanDerWaalsContact O-CB 3.27Å; R236-K240 WeakPolarHBondContact O-CB 3.49Å; R236-K240 PolarHBondContact O-N 3.32Å; D237-K240 PolarHBondContact O-N 3.36Å; K240-R242 PolarHBondContact O-N 3.29Å; K240-R242 VanDerWaalsContact O-N 3.08Å; K240-S243 PolarHBondContact O-N 3.17Å; K240-S243 PolarHBondContact O-OG 3.26Å
241	N	40.7	Very low	40.6	Very low	125 Å²	125	117.2 Å²	117.2	67%	0.668	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-66.3	-9.4	175.6	-74.6	10.2	0	0	0	113	D237 S243	D237-N241 PolarHBondContact O-N 2.58Å; N241-S243 VanDerWaalsContact C-N 3.34Å
242	R	48.1	Very low	39.8	Very low	186 Å²	186	118.8 Å²	118.8	70%	0.702	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-82.4	-6.2	177.8	-153.1	170.2	-177.4	-108.5	0.2	113.9	N109 E239 K240	N109-R242 PolarHBondContact OD1-NH2 2.84Å; E239-R242 WeakPolarHBondContact O-CB 3.25Å; E239-R242 PolarHBondContact O-N 3.45Å; E239-R242 VanDerWaalsContact O-N 3.15Å; K240-R242 PolarHBondContact O-N 3.29Å; K240-R242 VanDerWaalsContact O-N 3.08Å
243	S	33.7	Very low	39.1	Very low	102 Å²	102	118.6 Å²	118.6	71%	0.713	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-104.6	1.5	-177.9	64.7	0	0	0	0	115.5	K240 N241	K240-S243 PolarHBondContact O-N 3.17Å; K240-S243 PolarHBondContact O-OG 3.26Å; N241-S243 VanDerWaalsContact C-N 3.34Å
244	S	31.9	Very low	37.9	Very low	88 Å²	88	122.5 Å²	122.5	62%	0.615	66%	0.657	S	S	*	*			trans	-109.2	94.5	178.9	53.9	0	0	0	0	111.8
245	S	27.2	Very low	36.6	Very low	107 Å²	107	126.7 Å²	126.7	75%	0.748	69%	0.688	S	S	*	*			trans	-71.9	130.5	169.4	-58	0	0	0	0	110.7	T247	S245-T247 PolarHBondContact O-N 2.94Å
246	P	33.7	Very low	35.9	Very low	132 Å²	132	134.3 Å²	134.3	86%	0.857	72%	0.718	S	S	*	*			trans	-76.6	115.3	169.5	30.5	-31.3	0	0	0	109.8
247	T	32	Very low	34.9	Very low	124 Å²	124	133.5 Å²	133.5	76%	0.761	73%	0.734	S	S	*	*			trans	-94.4	141	168.7	50.3	0	0	0	0	110.7	S245 K249	S245-T247 PolarHBondContact O-N 2.94Å; T247-K249 PolarHBondContact O-N 2.94Å
248	D	34.4	Very low	34.2	Very low	163 Å²	163	136 Å²	136	87%	0.872	76%	0.758	S	S	*	*			trans	-51.4	116.7	-172	-51.9	-89.7	0	0	0	115
249	K	34.3	Very low	33.2	Very low	197 Å²	197	136.7 Å²	136.7	86%	0.857	78%	0.778	S	S	*	*			trans	-156.1	99.4	148.5	-69.4	-159.4	-179.1	-175	0	110.8	T247	T247-K249 PolarHBondContact O-N 2.94Å
250	E	30	Very low	32.4	Very low	206 Å²	206	139.7 Å²	139.7	96%	0.963	79%	0.789	S	S	*	*			trans	-177.5	80.8	141.9	-105.2	168.7	-159.7	0	0	110.2
251	A	30.6	Very low	32.3	Very low	92 Å²	92	145.2 Å²	145.2	76%	0.76	81%	0.806	S	S	*	*			trans	-134.4	135.3	161.1	0	0	0	0	0	107.2
252	E	27	Very low	31.8	Very low	179 Å²	179	147.4 Å²	147.4	84%	0.836	81%	0.81	S	S	*	*			trans	65	142.4	173.3	-63.9	-168.3	169.8	0	0	116.2
253	I	28.5	Very low	30.7	Very low	136 Å²	136	146.8 Å²	146.8	70%	0.697	81%	0.813	S	S	*	*			cis	-150.7	148.7	-3.9	-105.7	152.6	0	0	0	106.8
254	C	27	Very low	30.4	Very low	118 Å²	118	146.5 Å²	146.5	80%	0.797	81%	0.811	S	S	*	*			trans	-170.3	109.1	135.4	-112.4	0	0	0	0	111.9
255	S	27.9	Very low	30.2	Very low	119 Å²	119	150.4 Å²	150.4	83%	0.832	82%	0.819	S	S	*	*			trans	-134.2	109.4	160.9	-67	0	0	0	0	107.1
256	E	30.5	Very low	30.5	Very low	195 Å²	195	151.2 Å²	151.2	91%	0.911	82%	0.819	S	S	*	*			trans	-71.2	130.3	-179.6	-64.7	179.8	99.3	0	0	110.6
257	S	28.4	Very low	30.5	Very low	123 Å²	123	153.5 Å²	153.5	86%	0.86	82%	0.819	S	S	*	*			trans	-147.4	138.3	158.1	56.7	0	0	0	0	110.3
258	S	32.4	Very low	30.5	Very low	127 Å²	127	152.7 Å²	152.7	89%	0.888	81%	0.81	S	S	*	*			trans	-99.6	156.8	-168.8	49.1	0	0	0	0	112.5
259	G	29.8	Very low	30.4	Very low	73 Å²	73	154 Å²	154	75%	0.753	80%	0.803	S	S	*	*			trans	-91.1	152.6	-156.6	0	0	0	0	0	118.3
260	K	34	Very low	30.4	Very low	206 Å²	206	150.3 Å²	150.3	90%	0.896	79%	0.788	S	S	*	*			trans	56.9	114.2	147.8	-62.2	-177.9	178.2	178.5	0	119.5
261	R	35.9	Very low	30.5	Very low	251 Å²	251	144.9 Å²	144.9	95%	0.947	77%	0.773	S	S	*	*			trans	-161.5	179.5	136.5	-108.1	175.9	-63.3	163.5	4.7	110.7
262	K	31	Very low	30.5	Very low	172 Å²	172	151 Å²	151	75%	0.748	78%	0.777	S	S	*	*				-146.3	141.5	-119.2	171.5	-169.9	174.1	-170.8	0	114.2
263	F	24.6	Very low	30.7	Very low	173 Å²	173	145.9 Å²	145.9	76%	0.759	77%	0.772	S	S	*	*			trans	66.3	161.2	169.6	-87.1	-130.3	0	0	0	115.1
264	S	27.8	Very low	31.6	Very low	96 Å²	96	145.9 Å²	145.9	67%	0.671	78%	0.781	S	S	*	*			cis	-162	139	0.9	40	0	0	0	0	108.6
265	E	26.7	Very low	31.7	Very low	170 Å²	170	143.6 Å²	143.6	79%	0.794	78%	0.777	S	S	*	*				89.5	154.1	87.3	-154.5	174.7	134.8	0	0	115.9
266	V	33	Very low	32	Very low	123 Å²	123	145.6 Å²	145.6	75%	0.745	78%	0.778	S	S	*	*			trans	75.8	111	-178.6	-175.3	0	0	0	0	115
267	E	35.1	Very low	31.9	Very low	181 Å²	181	141.5 Å²	141.5	85%	0.846	77%	0.77	S	S	*	*				73.6	144.1	70.6	-64.8	-157.6	134	0	0	114.9
268	D	31.1	Very low	32.2	Very low	107 Å²	107	142.2 Å²	142.2	57%	0.572	77%	0.769	S	S	*	*			cis	-161.2	169.9	36.8	-174.6	15.2	0	0	0	113.7
269	R	31.8	Very low	32.1	Very low	191 Å²	191	141.7 Å²	141.7	72%	0.721	77%	0.765	S	S	*	*			trans	73.9	123.9	164.2	-46.7	-159.3	176.9	-101.1	-31.7	120.6
270	E	35.1	Very low	32.1	Very low	118 Å²	118	148 Å²	148	55%	0.551	77%	0.772	S	S	*	*			cis	88.5	111.2	48.5	-154.9	-164.4	169	0	0	112.6	R272	E270-R272 IonicContact OE1-CZ 3.42Å; E270-R272 VanDerWaalsContact OE1-CZ 3.29Å; E270-R272 IonicContact OE1-NE 3.61Å; E270-R272 PolarHBondContact OE1-NE 3.32Å; E270-R272 IonicContact OE1-NH2 3.29Å; E270-R272 PolarHBondContact OE1-NH2 3.36Å
271	S	32.2	Very low	32.1	Very low	93 Å²	93	143.3 Å²	143.3	65%	0.65	77%	0.766	S	S	*	*				-172.3	132.8	78.5	-62.8	0	0	0	0	117.7
272	R	30.2	Very low	31.9	Very low	220 Å²	220	139.5 Å²	139.5	83%	0.83	76%	0.756	S	S	*	*				52.4	131.6	129.4	-51.9	174.1	-163.8	-154.5	2.7	122.5	E270	E270-R272 IonicContact OE1-CZ 3.42Å; E270-R272 VanDerWaalsContact OE1-CZ 3.29Å; E270-R272 IonicContact OE1-NE 3.61Å; E270-R272 PolarHBondContact OE1-NE 3.32Å; E270-R272 IonicContact OE1-NH2 3.29Å; E270-R272 PolarHBondContact OE1-NH2 3.36Å
273	G	31.4	Very low	31.7	Very low	72 Å²	72	137.7 Å²	137.7	74%	0.742	75%	0.75	S	S	*	*			trans	-126.3	178.5	159.2	0	0	0	0	0	112.6
274	P	47.1	Very low	31.9	Very low	135 Å²	135	137.1 Å²	137.1	88%	0.877	75%	0.75	S	S	*	*				-144.2	-176.3	119.1	33.5	-15	0	0	0	112.5
275	G	29.6	Very low	32	Very low	70 Å²	70	139.3 Å²	139.3	72%	0.722	75%	0.753	S	S	*	*			cis	118	143.1	-0.6	0	0	0	0	0	113.8
276	L	33.7	Very low	32.1	Very low	162 Å²	162	135.5 Å²	135.5	85%	0.848	75%	0.751	S	S	*	*			cis	-171.6	135.4	-9.3	-145.6	176.8	0	0	0	111.3
277	S	28.8	Very low	31.8	Very low	108 Å²	108	135.8 Å²	135.8	76%	0.755	76%	0.758	S	S	*	*			trans	-165.1	129.9	161.2	4.5	0	0	0	0	110.8
278	V	33.9	Very low	31.4	Very low	139 Å²	139	133.3 Å²	133.3	84%	0.842	76%	0.761	S	S	*	*				90.6	131.8	53.6	166.9	0	0	0	0	111.1
279	S	30.6	Very low	31.3	Very low	115 Å²	115	132.2 Å²	132.2	80%	0.804	77%	0.767	S	S	*	*			cis	-138	-178.4	32.6	53.4	0	0	0	0	117.2
280	K	30.3	Very low	31.2	Very low	206 Å²	206	131.3 Å²	131.3	90%	0.896	77%	0.771	S	S	*	*			trans	-121.2	160.7	-170.5	-58	174.4	176	178.1	0	114.8
281	S	34.3	Very low	31	Very low	108 Å²	108	132.5 Å²	132.5	76%	0.755	78%	0.781	S	S	*	*			trans	-162.6	116.4	135.3	52.7	0	0	0	0	108.9
282	K	31.6	Very low	30.6	Very low	171 Å²	171	139.6 Å²	139.6	74%	0.743	80%	0.795	S	S	*	*				82.4	127	77.7	-175.3	169.4	-178.1	175.8	0	110.4
283	E	27.4	Very low	30.6	Very low	133 Å²	133	140.1 Å²	140.1	62%	0.621	80%	0.797	S	S	*	*			cis	-150.5	165.5	22.4	-156.8	143.1	-141.6	0	0	112.8
284	E	27.1	Very low	30.3	Very low	161 Å²	161	139.7 Å²	139.7	75%	0.752	79%	0.793	S	S	*	*			trans	25.4	158.9	153.9	-72.8	-171.8	130.5	0	0	125.5
285	L	30.7	Very low	29.4	Very low	143 Å²	143	139.8 Å²	139.8	75%	0.749	79%	0.79	S	S	*	*			cis	-167.2	157.9	-36.9	-123.1	-178.1	0	0	0	110.2
286	A	28.5	Very low	29.3	Very low	90 Å²	90	147.7 Å²	147.7	74%	0.744	80%	0.8	S	S	*	*			trans	50	123.6	156.5	0	0	0	0	0	122.6
287	S	27.1	Very low	29	Very low	128 Å²	128	142.8 Å²	142.8	90%	0.895	79%	0.789	S	S	*	*			trans	-69	152.8	165.8	-32.8	0	0	0	0	114.3
288	S	26.2	Very low	28.9	Very low	130 Å²	130	145 Å²	145	91%	0.909	79%	0.792	S	S	*	*			trans	-162	178.6	134.4	-157.9	0	0	0	0	111.5
289	A	29.3	Very low	28.8	Very low	84 Å²	84	145.6 Å²	145.6	69%	0.694	79%	0.785	S	S	*	*			trans	-129.4	179.1	-171.5	0	0	0	0	0	113.6
290	Q	30.2	Very low	28.9	Very low	172 Å²	172	146.4 Å²	146.4	80%	0.804	78%	0.776	S	S	*	*			trans	90.3	121.9	166.7	-55.3	-166.8	-7.3	0	0	119.7
291	N	31.1	Very low	28.9	Very low	142 Å²	142	142.9 Å²	142.9	76%	0.759	77%	0.767	S	S	*	*			trans	45.9	116.2	133.5	-57.4	-21.7	0	0	0	121
292	Y	22.6	Very low	28.9	Very low	243 Å²	243	143.5 Å²	143.5	95%	0.953	76%	0.758	S	S	*	*				-151.4	169.2	128.1	-131.8	-93.3	0	0	0	112.2
293	R	31	Very low	29	Very low	230 Å²	230	144.7 Å²	144.7	87%	0.868	76%	0.758	S	S	*	*			trans	-127.9	134.6	-177.3	-176.5	-139.3	-82.6	-97.3	6.8	111.2
294	G	25.9	Very low	29.1	Very low	64 Å²	64	142.3 Å²	142.3	66%	0.66	76%	0.755	S	S	*	*			trans	147	125.4	173.7	0	0	0	0	0	109.2
295	V	28.1	Very low	29.1	Very low	136 Å²	136	143.8 Å²	143.8	82%	0.824	76%	0.76	S	S	*	*			cis	82.5	102.2	34.4	-173.5	0	0	0	0	114.2
296	Y	27.6	Very low	29.1	Very low	236 Å²	236	142.1 Å²	142.1	93%	0.925	76%	0.76	S	S	*	*			trans	-119.8	157.2	146.7	-65	-91.3	0	0	0	106.2
297	G	27	Very low	30.2	Very low	59 Å²	59	143.5 Å²	143.5	61%	0.608	76%	0.761	S	S	*	*			cis	141.9	140.6	-1.1	0	0	0	0	0	110.7
298	L	27.1	Very low	31.3	Very low	156 Å²	156	143.2 Å²	143.2	82%	0.817	76%	0.756	S	S	*	*			trans	71.6	129.5	-175.2	-81.5	54.6	0	0	0	114.6
299	E	32.2	Very low	31.4	Very low	150 Å²	150	140 Å²	140	70%	0.701	74%	0.744	S	S	*	*			cis	108.5	144.6	27.7	-89.8	33.8	98.4	0	0	110.5
300	E	32.3	Very low	31.4	Very low	132 Å²	132	141.4 Å²	141.4	62%	0.617	75%	0.749	S	S	*	*			cis	-159.4	-175.5	-12.7	-145.6	-169.7	156.2	0	0	109.5	H302	E300-H302 IonicContact OE1-CD2 2.66Å; E300-H302 IonicContact OE1-CE1 3.25Å; E300-H302 IonicContact OE1-NE2 3.36Å; E300-H302 PolarHBondContact OE1-NE2 3.38Å
301	N	30.5	Very low	31.3	Very low	133 Å²	133	141.5 Å²	141.5	71%	0.711	75%	0.753	S	S	*	*			trans	86.1	133.4	166.5	-60.6	-26.9	0	0	0	118.1
302	H	34.5	Very low	31.3	Very low	121 Å²	121	142.1 Å²	142.1	56%	0.56	75%	0.751	S	S	*	*			cis	145.1	150.1	-11.2	-92.6	-18.9	0	0	0	106.4	E300	E300-H302 IonicContact OE1-CD2 2.66Å; E300-H302 IonicContact OE1-CE1 3.25Å; E300-H302 IonicContact OE1-NE2 3.36Å; E300-H302 PolarHBondContact OE1-NE2 3.38Å
303	R	33.6	Very low	31.7	Very low	196 Å²	196	139.2 Å²	139.2	74%	0.74	75%	0.746	S	S	*	*			cis	-151	134	3.1	-114.2	176.3	-168.6	-159.1	2.1	106.9
304	S	29.5	Very low	31.4	Very low	82 Å²	82	132 Å²	132	57%	0.573	74%	0.743	S	S	*	*				64.3	135.2	87.4	90.2	0	0	0	0	116.8
305	F	25.8	Very low	31.8	Very low	192 Å²	192	138.1 Å²	138.1	84%	0.842	76%	0.755	S	S	*	*				-163.4	141.2	123.8	-96.8	-64.1	0	0	0	112
306	S	31.1	Very low	31.8	Very low	108 Å²	108	137.3 Å²	137.3	76%	0.755	75%	0.75	S	S	*	*			trans	-151.4	-168.2	173.6	-46.5	0	0	0	0	106.2
307	P	51.7	Low	32.3	Very low	119 Å²	119	134.6 Å²	134.6	77%	0.773	74%	0.743	S	S	*	*			cis	-120.6	-123.1	-18.7	35.3	-12.5	0	0	0	108.1
308	P	50.3	Low	32.9	Very low	122 Å²	122	143.4 Å²	143.4	79%	0.792	76%	0.758	S	S	*	*			cis	-118.2	-166	-36.8	33.4	-12.3	0	0	0	112.2
309	G	28.1	Very low	33.2	Very low	63 Å²	63	141.6 Å²	141.6	65%	0.649	76%	0.758	S	S	*	*			cis	145.4	139.3	-15.5	0	0	0	0	0	115.8
310	S	29.1	Very low	33.1	Very low	114 Å²	114	137.8 Å²	137.8	80%	0.797	75%	0.752	S	S	*	*			trans	63.1	135.8	160.7	65.1	0	0	0	0	123.2
311	I	29	Very low	33.2	Very low	173 Å²	173	140.8 Å²	140.8	89%	0.887	76%	0.764	S	S	*	*				175.9	165.7	124.9	-91	164.1	0	0	0	111.9
312	E	30.5	Very low	33.4	Very low	155 Å²	155	140.4 Å²	140.4	72%	0.724	77%	0.766	S	S	*	*			trans	-104	173.8	-164.5	-102.1	-72.3	174.7	0	0	116.6
313	H	29.9	Very low	33.2	Very low	183 Å²	183	142.4 Å²	142.4	85%	0.847	78%	0.776	S	S	*	*			trans	67.4	139.5	164.1	-78.7	-71.6	0	0	0	121.9
314	G	26.3	Very low	33	Very low	78 Å²	78	139.8 Å²	139.8	80%	0.804	78%	0.781	S	S	*	*			trans	146.4	117	151.7	0	0	0	0	0	117.4
315	E	33.2	Very low	33.3	Very low	193 Å²	193	144.5 Å²	144.5	90%	0.902	79%	0.791	S	S	*	*			trans	-92.2	159.5	167.4	-60.4	-175.3	111.4	0	0	112.4
316	V	29.5	Very low	33.4	Very low	118 Å²	118	145 Å²	145	72%	0.715	79%	0.793	S	S	*	*				161.3	112.2	127.6	158.7	0	0	0	0	115.3
317	K	36.7	Very low	33.4	Very low	180 Å²	180	145.1 Å²	145.1	78%	0.783	79%	0.794	S	S	*	*			trans	43.3	124.8	139.1	-51.4	171.8	-172	168.5	0	123.3
318	R	40.8	Very low	33	Very low	244 Å²	244	144.5 Å²	144.5	92%	0.921	79%	0.79	S	S	*	*				-165.3	122.7	121.2	-98.6	158.9	-177.4	168.5	1.8	107.7
319	S	33.6	Very low	32	Very low	118 Å²	118	147 Å²	147	83%	0.825	79%	0.791	S	S	*	*				67.5	135.2	65.5	-85.6	0	0	0	0	114.5
320	A	29.2	Very low	31.9	Very low	70 Å²	70	150.1 Å²	150.1	58%	0.579	79%	0.793	S	S	*	*			cis	-165.1	-178.9	2.3	0	0	0	0	0	113
321	F	33.4	Very low	32	Very low	195 Å²	195	151.4 Å²	151.4	86%	0.855	79%	0.79	S	S	*	*			trans	74.2	133.9	163.8	-67.2	-75.7	0	0	0	118.4
322	T	34.9	Very low	31.9	Very low	125 Å²	125	150.2 Å²	150.2	77%	0.767	78%	0.778	S	S	*	*			cis	-156.3	158.3	-15	-16.4	0	0	0	0	111.7
323	E	30.8	Very low	32	Very low	162 Å²	162	150.7 Å²	150.7	76%	0.757	78%	0.78	S	S	*	*			trans	-98.9	138.7	167.8	-179.2	-165	155.3	0	0	111.5
324	V	29.2	Very low	31.9	Very low	141 Å²	141	149.3 Å²	149.3	86%	0.855	77%	0.774	S	S	*	*			trans	-143.5	132.6	147.5	-178.1	0	0	0	0	109.8
325	K	36.6	Very low	32	Very low	181 Å²	181	151.2 Å²	151.2	79%	0.787	78%	0.775	S	S	*	*			trans	-132.5	119.7	176.5	178.8	-176.8	-178.1	-179.9	0	109.6
326	K	27.9	Very low	31.8	Very low	204 Å²	204	145.8 Å²	145.8	89%	0.887	77%	0.77	S	S	*	*			trans	-160.7	137.4	172.5	-119.1	169.4	-174.2	177.2	0	116
327	S	30.7	Very low	31.8	Very low	109 Å²	109	146.5 Å²	146.5	76%	0.762	77%	0.77	S	S	*	*			trans	-124.9	173.1	154.8	55.5	0	0	0	0	106.4
328	P	44	Very low	31.7	Very low	106 Å²	106	146.7 Å²	146.7	69%	0.688	77%	0.771	S	S	*	*			cis	-138.1	-163.8	16.5	43.1	-22.5	0	0	0	115
329	Q	28.9	Very low	31.2	Very low	176 Å²	176	141.9 Å²	141.9	82%	0.822	76%	0.763	S	S	*	*			trans	17.2	149	148.4	-61.3	173	-8.6	0	0	120.1
330	N	26	Very low	31.1	Very low	128 Å²	128	141.6 Å²	141.6	68%	0.684	75%	0.752	S	S	*	*			cis	-174	173.6	34.2	-150.2	-30.9	0	0	0	112.8
331	L	30.1	Very low	31.3	Very low	140 Å²	140	145.5 Å²	145.5	73%	0.733	76%	0.758	S	S	*	*			trans	60.1	154.2	165	-79.5	108.6	0	0	0	119.8
332	K	28.7	Very low	31.1	Very low	148 Å²	148	143.3 Å²	143.3	64%	0.643	76%	0.756	S	S	*	*			cis	-171.4	158.7	-31.5	-156.9	175.1	174.3	-174.1	0	110.8
333	H	30.7	Very low	31	Very low	166 Å²	166	141.2 Å²	141.2	77%	0.769	75%	0.746	S	S	*	*			trans	84.9	118.4	152.5	-78.8	-49.3	0	0	0	124.4
334	H	29.3	Very low	30.9	Very low	154 Å²	154	140.7 Å²	140.7	71%	0.713	75%	0.748	S	S	*	*				107.7	129.4	125.6	-97.5	-67.3	0	0	0	124.8
335	S	28.5	Very low	31.2	Very low	118 Å²	118	139.1 Å²	139.1	83%	0.825	74%	0.744	S	S	*	*			trans	70.3	130.3	158.7	-56.6	0	0	0	0	117.7
336	G	27.5	Very low	31	Very low	78 Å²	78	138.5 Å²	138.5	80%	0.804	74%	0.744	S	S	*	*			cis	176.1	-161.3	1.1	0	0	0	0	0	109.7
337	N	29.6	Very low	31.1	Very low	134 Å²	134	135 Å²	135	72%	0.717	74%	0.735	S	S	*	*			cis	-170.6	132.6	-9.3	-168.1	-6.1	0	0	0	109.4
338	K	34.9	Very low	31.2	Very low	184 Å²	184	137.8 Å²	137.8	80%	0.8	73%	0.733	S	S	*	*			trans	65.6	146.8	170.1	-73.1	157.4	-170.8	-177.8	0	117.2
339	N	30.1	Very low	30.5	Very low	142 Å²	142	139.5 Å²	139.5	76%	0.759	74%	0.736	S	S	*	*			cis	-160.4	-158.7	-13.5	-152.3	2.1	0	0	0	106.8
340	L	32.8	Very low	30.5	Very low	112 Å²	112	134.8 Å²	134.8	59%	0.586	74%	0.735	S	S	*	*			cis	-164.1	137.9	4.9	178.5	69.1	0	0	0	110.5
341	Q	32.5	Very low	30.7	Very low	152 Å²	152	132.7 Å²	132.7	71%	0.71	74%	0.744	S	S	*	*			trans	59.4	136.7	158.9	-71.1	159.7	-7.7	0	0	119.7
342	N	28.7	Very low	30.8	Very low	150 Å²	150	137.8 Å²	137.8	80%	0.802	75%	0.753	S	S	*	*			cis	85.7	143.4	41.7	-72.9	32.9	0	0	0	114
343	S	33.8	Very low	31.5	Very low	80 Å²	80	135.8 Å²	135.8	56%	0.559	76%	0.756	S	S	*	*			cis	-173.2	149.7	-10.4	-96.4	0	0	0	0	112.5
344	N	29.2	Very low	31.3	Very low	151 Å²	151	135.2 Å²	135.2	81%	0.807	76%	0.757	S	S	*	*			trans	53.4	-176.8	148.3	-49.9	-0.9	0	0	0	117.2
345	S	35	Very low	31.3	Very low	109 Å²	109	133.4 Å²	133.4	76%	0.762	76%	0.761	S	S	*	*			cis	-161	165.6	1.6	-8.5	0	0	0	0	107.9
346	E	31.7	Very low	31.2	Very low	168 Å²	168	135.5 Å²	135.5	79%	0.785	76%	0.763	S	S	*	*			cis	-160.1	-129.7	-10.5	-152.6	-150.3	71.6	0	0	111.7
347	N	30.1	Very low	31.1	Very low	130 Å²	130	137 Å²	137	70%	0.695	76%	0.761	S	S	*	*			trans	-87.9	-173.5	179.3	-64.2	-73.2	0	0	0	113.1
348	K	33.5	Very low	31.1	Very low	168 Å²	168	136.2 Å²	136.2	73%	0.73	76%	0.761	S	S	*	*			cis	-170.6	169.4	22.9	-152.6	169.2	167.7	-87.8	0	113.7
349	D	29.2	Very low	30.9	Very low	141 Å²	141	134.5 Å²	134.5	75%	0.754	76%	0.756	S	S	*	*			trans	69.1	148.5	153.4	-80	-49.8	0	0	0	123.6
350	G	29.5	Very low	30.9	Very low	77 Å²	77	135.1 Å²	135.1	79%	0.794	75%	0.752	S	S	*	*			trans	124.1	101.8	142.3	0	0	0	0	0	121.1
351	G	28.5	Very low	30.8	Very low	84 Å²	84	137.5 Å²	137.5	87%	0.866	76%	0.76	S	S	*	*			trans	94	115.1	133.3	0	0	0	0	0	122.6
352	R	32.6	Very low	30.8	Very low	247 Å²	247	136.6 Å²	136.6	93%	0.932	76%	0.759	S	S	*	*			trans	-107.8	173.5	139.4	-86.4	-171.2	177.6	-168.4	1.2	106.9
353	P	43.4	Very low	30.9	Very low	107 Å²	107	135.8 Å²	135.8	70%	0.695	76%	0.755	S	S	*	*			cis	-147.1	179.3	20.6	43.7	-23	0	0	0	118.7
354	I	27.8	Very low	30.8	Very low	154 Å²	154	138.2 Å²	138.2	79%	0.79	76%	0.76	S	S	*	*			trans	42.7	128.4	139.4	-63.1	161.9	0	0	0	121.4
355	S	28.6	Very low	31	Very low	115 Å²	115	141.7 Å²	141.7	80%	0.804	76%	0.762	S	S	*	*				-175.5	169.2	124.6	39.4	0	0	0	0	113.4
356	N	26.7	Very low	30.8	Very low	163 Å²	163	144.4 Å²	144.4	87%	0.872	76%	0.762	S	S	*	*			trans	-115.7	179.6	-176.8	-62.7	-50.3	0	0	0	111.6
357	S	25.7	Very low	30.7	Very low	110 Å²	110	142 Å²	142	77%	0.769	76%	0.759	S	S	*	*			trans	120.7	124.3	166.7	-162.2	0	0	0	0	111.5
358	V	29.7	Very low	30.8	Very low	117 Å²	117	143.5 Å²	143.5	71%	0.709	77%	0.766	S	S	*	*			cis	102.9	124.5	25.4	174.8	0	0	0	0	112.9
359	E	29.6	Very low	30.6	Very low	147 Å²	147	140.4 Å²	140.4	69%	0.687	77%	0.765	S	S	*	*			trans	67.3	163.6	163.9	-76.2	-173.8	142.8	0	0	119.9
360	K	30.8	Very low	30.5	Very low	155 Å²	155	142 Å²	142	67%	0.674	77%	0.769	S	S	*	*			cis	-173.9	154.6	-39.6	-113.8	179.8	-158.3	154.6	0	108.8
361	H	31.1	Very low	30.5	Very low	163 Å²	163	144.8 Å²	144.8	76%	0.755	77%	0.77	S	S	*	*			trans	63.9	161.3	156.7	-85.8	-150.5	0	0	0	116.6
362	L	31.4	Very low	30.5	Very low	132 Å²	132	149.1 Å²	149.1	69%	0.691	77%	0.768	S	S	*	*			cis	-150.1	148.6	-12.1	-94	152.8	0	0	0	104.6
363	N	30.6	Very low	31.1	Very low	134 Å²	134	142.5 Å²	142.5	72%	0.717	76%	0.757	S	S	*	*			cis	105.6	146.1	42.8	-164.3	10.2	0	0	0	113.1
364	I	33.1	Very low	31.1	Very low	131 Å²	131	142.7 Å²	142.7	67%	0.672	76%	0.758	S	S	*	*			trans	90.8	114.9	163.3	-53.5	-176.3	0	0	0	121.3
365	R	31.6	Very low	31.3	Very low	223 Å²	223	142.9 Å²	142.9	84%	0.842	76%	0.756	S	S	*	*			trans	53.5	142.5	151.3	-66.5	171.2	178.8	169.7	-1	121.5
366	Q	30.9	Very low	31.2	Very low	166 Å²	166	142.7 Å²	142.7	78%	0.776	75%	0.75	S	S	*	*			cis	113	129	8.2	-174.9	-166.4	4	0	0	114
367	V	30	Very low	31.2	Very low	117 Å²	117	140.5 Å²	140.5	71%	0.709	75%	0.747	S	S	*	*			trans	150.8	118.8	141.8	161.7	0	0	0	0	114.4
368	L	32.1	Very low	32.2	Very low	162 Å²	162	140.2 Å²	140.2	85%	0.848	74%	0.743	S	S	*	*			trans	62.4	154.8	158.9	-62.7	168.4	0	0	0	119.8
369	S	29	Very low	32.2	Very low	103 Å²	103	143.6 Å²	143.6	72%	0.72	75%	0.753	S	S	*	*			cis	-143.1	-177.8	11.2	-58.1	0	0	0	0	114.4
370	E	28.6	Very low	32.1	Very low	176 Å²	176	140.2 Å²	140.2	82%	0.822	76%	0.758	S	S	*	*			trans	-38	167.3	171.7	-67.8	157.1	73	0	0	119.7
371	T	28.7	Very low	32.3	Very low	135 Å²	135	138.5 Å²	138.5	83%	0.828	77%	0.765	S	S	*	*			cis	-147.5	-171.8	15.4	-17.5	0	0	0	0	114.2
372	Q	28.2	Very low	32	Very low	175 Å²	175	135 Å²	135	82%	0.818	77%	0.765	S	S	*	*			trans	-103.3	172.1	-167.3	163.1	-176.7	12.1	0	0	113.3
373	P	45.1	Very low	32.1	Very low	107 Å²	107	138.4 Å²	138.4	70%	0.695	77%	0.774	S	S	*	*			cis	-127.8	-151.6	-4.9	28.8	-3.2	0	0	0	113.9
374	P	43.4	Very low	32.3	Very low	111 Å²	111	138.6 Å²	138.6	72%	0.721	78%	0.781	S	S	*	*				-121.5	-154.7	-60.4	37	-19	0	0	0	113.6
375	Q	31.5	Very low	32.6	Very low	159 Å²	159	138.3 Å²	138.3	74%	0.743	79%	0.79	S	S	*	*			trans	88	83.5	178.1	-52.1	-70.4	-7.3	0	0	115.5
376	T	27	Very low	32.6	Very low	110 Å²	110	134.3 Å²	134.3	68%	0.675	79%	0.79	S	S	*	*				92.8	76.7	81.8	55.7	0	0	0	0	117.6
377	S	27.3	Very low	33	Very low	117 Å²	117	129.8 Å²	129.8	82%	0.818	79%	0.788	S	S	*	*			trans	70	166.1	150.6	83	0	0	0	0	118.8
378	P	46.4	Very low	33.2	Very low	105 Å²	105	133.6 Å²	133.6	68%	0.682	80%	0.798	S	S	*	*			cis	-133.5	-175.8	2.9	44.2	-28.3	0	0	0	116.3
379	M	29.6	Very low	33.3	Very low	187 Å²	187	135.2 Å²	135.2	92%	0.921	80%	0.801	S	S	*	*			trans	66.3	106.8	157.4	-73	164.2	54.9	0	0	120
380	G	27.4	Very low	33.3	Very low	76 Å²	76	133.5 Å²	133.5	78%	0.784	80%	0.8	S	S	*	*			trans	-169	133.6	165.6	0	0	0	0	0	113.4
381	S	35.3	Very low	33.4	Very low	119 Å²	119	131.1 Å²	131.1	83%	0.832	80%	0.803	S	S	*	*			trans	-38.7	146.9	-175.9	-169.1	0	0	0	0	118.4
382	A	25.4	Very low	33.7	Very low	91 Å²	91	128.3 Å²	128.3	75%	0.752	80%	0.801	S	S	*	*			trans	-133.5	75.7	173.9	0	0	0	0	0	113
383	F	33.4	Very low	33.9	Very low	202 Å²	202	125.2 Å²	125.2	89%	0.886	80%	0.799	S	S	*	*			trans	-137.1	88	163.8	-86.5	-71.6	0	0	0	110.5
384	T	35	Very low	33.8	Very low	139 Å²	139	124.1 Å²	124.1	85%	0.853	81%	0.806	S	S	*	*			trans	-134.4	131.8	163.3	39.8	0	0	0	0	109.1
385	S	39.3	Very low	33.3	Very low	124 Å²	124	124.9 Å²	124.9	87%	0.867	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-86.3	123.4	-178.7	46.5	0	0	0	0	111.3
386	V	30.4	Very low	33.6	Very low	139 Å²	139	125.2 Å²	125.2	84%	0.842	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-97.5	123.7	161.4	179	0	0	0	0	107.8
387	G	40.4	Very low	34.1	Very low	71 Å²	71	132 Å²	132	73%	0.732	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-102.4	132.9	168.6	0	0	0	0	0	110.1
388	Q	34.1	Very low	34.9	Very low	198 Å²	198	134.8 Å²	134.8	93%	0.925	82%	0.821	S	S	*	*			trans	-147.2	163.4	156.3	-134.5	176.2	6.1	0	0	111.6
389	Q	34.5	Very low	35.1	Very low	195 Å²	195	133.5 Å²	133.5	91%	0.911	82%	0.815	S	S	*	*			trans	-109	121.2	-158.9	-179.1	179.9	11.2	0	0	109.1
390	G	28.8	Very low	35.5	Very low	67 Å²	67	129.3 Å²	129.3	69%	0.691	81%	0.81	S	S	*	*			trans	179.8	105.5	-178.2	0	0	0	0	0	115.1
391	S	30.8	Very low	36.3	Very low	126 Å²	126	135.3 Å²	135.3	88%	0.881	82%	0.815	S	S	*	*			trans	26.9	116.4	150.9	58.9	0	0	0	0	121.1
392	G	33.8	Very low	36.8	Very low	76 Å²	76	134 Å²	134	78%	0.784	81%	0.806	S	S	*	*			trans	112.5	129.5	132.7	0	0	0	0	0	118.5
393	S	34.1	Very low	37.7	Very low	111 Å²	111	138.6 Å²	138.6	78%	0.776	81%	0.812	S	S	*	*			trans	47.1	98	158.4	-165.9	0	0	0	0	118.1
394	G	41.7	Very low	37.6	Very low	83 Å²	83	135 Å²	135	86%	0.856	81%	0.808	S	S	*	*			trans	-65.2	133.9	171.3	0	0	0	0	0	113.4
395	T	34.3	Very low	37.6	Very low	128 Å²	128	133 Å²	133	79%	0.785	81%	0.807	S	S	*	*			trans	-131.1	128.7	167.7	26.6	0	0	0	0	110.1
396	E	36.9	Very low	37.5	Very low	166 Å²	166	139 Å²	139	78%	0.776	81%	0.81	S	S	*	*			trans	-69.8	134.8	-176	-59.2	177.5	125.6	0	0	112.3	K398	E396-K398 PolarHBondContact O-N 2.82Å
397	R	38.2	Very low	37.5	Very low	253 Å²	253	137.4 Å²	137.4	96%	0.955	81%	0.805	S	S	*	*			trans	-80	88.5	177.7	-65.9	-174.1	177.5	-150.2	-1.3	110.6
398	K	43.1	Very low	36.9	Very low	175 Å²	175	144.1 Å²	144.1	76%	0.761	82%	0.815	S	S	*	*			trans	-67.3	141.4	179.5	-65.5	173.7	-176.2	177.4	0	111.5	E396	E396-K398 PolarHBondContact O-N 2.82Å
399	S	50.8	Low	36.8	Very low	77 Å²	77	139.4 Å²	139.4	54%	0.538	80%	0.803	S	S	.	*			trans	-72.4	143.5	-178	-176.8	0	0	0	0	112.2	F401 S402	S399-F401 PolarHBondContact O-N 3.4Å; S399-S402 PolarHBondContact O-N 3.17Å
400	A	37.5	Very low	36.7	Very low	100 Å²	100	139.1 Å²	139.1	83%	0.826	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	4.9	-179.5	0	0	0	0	0	115
401	F	44.2	Very low	36.8	Very low	202 Å²	202	144 Å²	144	89%	0.886	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	9.7	177.4	-67.2	-81.5	0	0	0	113.6	S399	S399-F401 PolarHBondContact O-N 3.4Å
402	S	46.7	Very low	36.7	Very low	91 Å²	91	143.3 Å²	143.3	64%	0.636	81%	0.806	S	S	*	*	S	Bend	trans	-107.7	150.8	173.6	-56.6	0	0	0	0	111.3	S399	S399-S402 PolarHBondContact O-N 3.17Å
403	Q	43.9	Very low	36.7	Very low	187 Å²	187	145.4 Å²	145.4	87%	0.874	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-64.2	148.7	-178.2	-109.3	-174.8	-6.5	0	0	112.9	A405	Q403-A405 PolarHBondContact O-N 2.65Å
404	P	31.2	Very low	36.3	Very low	126 Å²	126	148.7 Å²	148.7	82%	0.818	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-69.2	126.8	175.3	-16.2	30.7	0	0	0	111.9
405	A	36.2	Very low	35.8	Very low	99 Å²	99	150.2 Å²	150.2	82%	0.818	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-80.4	135	171.7	0	0	0	0	0	110.9	Q403	Q403-A405 PolarHBondContact O-N 2.65Å
406	R	36.3	Very low	35.6	Very low	249 Å²	249	152.3 Å²	152.3	94%	0.94	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-83.5	137	167	-66.5	-172.3	-179.8	-138.8	1.3	109.5
407	S	30.2	Very low	35.5	Very low	105 Å²	105	149 Å²	149	73%	0.734	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-85.1	147	179.2	45	0	0	0	0	112.6
408	F	28	Very low	35.3	Very low	213 Å²	213	143 Å²	143	93%	0.934	80%	0.795	S	S	*	*			trans	-130.7	149.9	153	-99	-91.8	0	0	0	107.4
409	S	31.2	Very low	34.5	Very low	99 Å²	99	144.7 Å²	144.7	69%	0.692	80%	0.803	S	S	*	*			trans	-122.3	160.8	-170.1	-61.8	0	0	0	0	111.8
410	Q	33.8	Very low	33.4	Very low	188 Å²	188	148 Å²	148	88%	0.879	81%	0.814	S	S	*	*			trans	71.7	119.9	179.2	-51.8	177.5	-16.5	0	0	112.4
411	I	29.8	Very low	32.9	Very low	169 Å²	169	150 Å²	150	87%	0.867	81%	0.81	S	S	*	*				-141.9	153.4	67.3	-74	142.8	0	0	0	110.9
412	S	28.3	Very low	32	Very low	112 Å²	112	146.5 Å²	146.5	78%	0.783	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-86.7	140	-177.5	-55.2	0	0	0	0	113.8
413	P	33.5	Very low	31	Very low	120 Å²	120	147.4 Å²	147.4	78%	0.779	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-83.7	140.6	167	33.5	-32.4	0	0	0	111.8
414	L	27.1	Very low	30.4	Very low	181 Å²	181	147 Å²	147	95%	0.948	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-82.5	134.6	168.9	-93.3	157	0	0	0	110.5
415	V	30.8	Very low	31.1	Very low	115 Å²	115	146.8 Å²	146.8	70%	0.697	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-98.9	139.1	176.5	175.3	0	0	0	0	109.7
416	M	29.7	Very low	30.8	Very low	172 Å²	172	146.2 Å²	146.2	85%	0.847	80%	0.797	S	S	*	*			trans	-136.9	148.6	157.3	-84.8	-68.5	110.4	0	0	109.8
417	P	35.5	Very low	30.5	Very low	97 Å²	97	141.4 Å²	141.4	63%	0.63	80%	0.795	S	S	*	*			trans	-98.1	160.1	-162.4	37.7	-36.7	0	0	0	114.7
418	P	32.7	Very low	30.4	Very low	125 Å²	125	140 Å²	140	81%	0.812	80%	0.797	S	S	*	*			trans	-71.8	150.9	162.9	32.6	-34.4	0	0	0	111.3
419	K	27.6	Very low	30.4	Very low	211 Å²	211	136.9 Å²	136.9	92%	0.917	79%	0.79	S	S	*	*			trans	-106.9	170.3	164.3	-81.9	-172.1	173.9	-177.7	0	110.9
420	L	26.8	Very low	30.4	Very low	148 Å²	148	137.4 Å²	137.4	78%	0.775	79%	0.789	S	S	*	*			trans	-135.8	175.5	-151.6	-147.6	-173.1	0	0	0	109
421	L	26.4	Very low	30.2	Very low	141 Å²	141	135.5 Å²	135.5	74%	0.738	78%	0.783	S	S	*	*			trans	74.3	145.6	174.7	-76.9	99.1	0	0	0	117
422	D	25.4	Very low	30	Very low	129 Å²	129	132.8 Å²	132.8	69%	0.69	78%	0.779	S	S	*	*			cis	-169.6	-177.7	-25.1	-137.2	-47.1	0	0	0	112.5
423	C	26.1	Very low	30.1	Very low	110 Å²	110	132.5 Å²	132.5	74%	0.743	78%	0.777	S	S	*	*			trans	73	106	150.2	-69.4	0	0	0	0	122.1
424	H	31.4	Very low	29.8	Very low	179 Å²	179	131.9 Å²	131.9	83%	0.829	78%	0.776	S	S	*	*			trans	-63.8	167.1	138.4	-91.8	-58.1	0	0	0	111.9
425	P	46.8	Very low	30	Very low	121 Å²	121	133.9 Å²	133.9	79%	0.786	77%	0.771	S	S	*	*			cis	-133.3	-156.5	48.8	35.3	-10.9	0	0	0	113.1
426	A	29.7	Very low	29.9	Very low	86 Å²	86	136 Å²	136	71%	0.711	78%	0.777	S	S	*	*			cis	-155.8	-152.2	13	0	0	0	0	0	114.1
427	V	30	Very low	29.7	Very low	149 Å²	149	138.2 Å²	138.2	90%	0.903	78%	0.778	S	S	*	*			trans	-45.3	157	169.8	-77.2	0	0	0	0	115.3
428	G	27.3	Very low	29.3	Very low	75 Å²	75	142.7 Å²	142.7	77%	0.773	79%	0.79	S	S	*	*			cis	163.5	175.5	5.5	0	0	0	0	0	108.1
429	D	28	Very low	29	Very low	148 Å²	148	140.9 Å²	140.9	79%	0.791	79%	0.786	S	S	*	*			cis	-163.8	176.9	-4.3	-163	-9.7	0	0	0	108.1
430	T	31.2	Very low	29	Very low	109 Å²	109	137.3 Å²	137.3	67%	0.669	78%	0.777	S	S	*	*			trans	77.7	122.7	161.4	65.5	0	0	0	0	123.7
431	I	29.6	Very low	29.3	Very low	149 Å²	149	137.9 Å²	137.9	76%	0.764	78%	0.775	S	S	*	*				73.6	101.4	128	-59.4	170.7	0	0	0	121.8
432	S	26.8	Very low	29.3	Very low	111 Å²	111	139 Å²	139	78%	0.776	78%	0.781	S	S	*	*				45.8	132.7	123.4	-46.6	0	0	0	0	125
433	S	29.1	Very low	29.5	Very low	107 Å²	107	137.7 Å²	137.7	75%	0.748	79%	0.788	S	S	*	*				113.1	119.5	124.3	-145.3	0	0	0	0	120.6
434	S	28	Very low	29.7	Very low	106 Å²	106	137.6 Å²	137.6	74%	0.741	80%	0.795	S	S	*	*			trans	56.8	122.4	138.2	-65.3	0	0	0	0	124
435	R	30.3	Very low	29.6	Very low	224 Å²	224	137 Å²	137	85%	0.845	79%	0.79	S	S	*	*			trans	71.3	114.6	131.2	-164.9	-148.9	-68	-128.8	3	118.3
436	L	29.2	Very low	28.8	Very low	158 Å²	158	139.4 Å²	139.4	83%	0.827	80%	0.796	S	S	*	*				-178.9	166.1	113.2	-97.4	169.6	0	0	0	114.3
437	Y	26.8	Very low	28.9	Very low	220 Å²	220	142.9 Å²	142.9	86%	0.863	80%	0.797	S	S	*	*			trans	-77.2	152.8	166.6	-96.7	-126.1	0	0	0	110.8
438	Q	26.7	Very low	28.8	Very low	191 Å²	191	139.4 Å²	139.4	89%	0.893	79%	0.792	S	S	*	*				161.9	-179.8	105	-163.2	144.7	-12.1	0	0	109.8
439	A	25.8	Very low	28.8	Very low	87 Å²	87	140.7 Å²	140.7	72%	0.719	80%	0.795	S	S	*	*			trans	-132	164.7	-160.2	0	0	0	0	0	115.1
440	D	27.6	Very low	28.9	Very low	136 Å²	136	141.6 Å²	141.6	73%	0.727	79%	0.794	S	S	*	*			trans	95	153.4	139.4	-133.7	-23.7	0	0	0	121.1
441	H	32.7	Very low	28.9	Very low	159 Å²	159	144.4 Å²	144.4	74%	0.736	80%	0.804	S	S	*	*			trans	87.4	150.1	157.2	-62.6	-11.6	0	0	0	122.1
442	L	27.3	Very low	28.9	Very low	166 Å²	166	140.9 Å²	140.9	87%	0.869	81%	0.805	S	S	*	*			trans	68.4	109.3	174.5	-55.2	175.4	0	0	0	115.5
443	A	29	Very low	29.1	Very low	100 Å²	100	139.8 Å²	139.8	83%	0.826	80%	0.802	S	S	*	*			cis	75	110.1	43.5	0	0	0	0	0	114.5
444	A	31	Very low	29.2	Very low	109 Å²	109	142.2 Å²	142.2	90%	0.901	81%	0.807	S	S	*	*			trans	-133.6	153.6	166.6	0	0	0	0	0	109.2
445	K	29.5	Very low	29.2	Very low	166 Å²	166	142.8 Å²	142.8	72%	0.722	81%	0.809	S	S	*	*			trans	-141.5	133.7	-159.3	168.9	-166.9	173.8	-172.4	0	110.1
446	L	29.8	Very low	29.9	Very low	172 Å²	172	138.4 Å²	138.4	90%	0.901	81%	0.81	S	S	*	*			trans	-136.6	138.3	163.4	-75.8	178.4	0	0	0	111.3
447	Q	30.3	Very low	30.1	Very low	158 Å²	158	137 Å²	137	74%	0.738	81%	0.808	S	S	*	*			trans	-85.7	166.1	167.3	-65.7	124.2	-75	0	0	109.3
448	G	27.7	Very low	30.9	Very low	77 Å²	77	132.3 Å²	132.3	79%	0.794	81%	0.805	S	S	*	*			cis	132.3	137.3	0.6	0	0	0	0	0	111.7
449	A	28	Very low	30.9	Very low	102 Å²	102	127.8 Å²	127.8	84%	0.843	80%	0.799	S	S	*	*			trans	-178.3	160.9	170.3	0	0	0	0	0	108.4
450	E	30.8	Very low	31.1	Very low	167 Å²	167	127.2 Å²	127.2	78%	0.78	80%	0.802	S	S	*	*			cis	177.8	166.5	-43.7	-110.5	-61.4	158.3	0	0	106.2
451	L	31.3	Very low	31.4	Very low	168 Å²	168	128.7 Å²	128.7	88%	0.88	81%	0.808	S	S	*	*			trans	68.9	140.8	-178.5	-45.7	171.7	0	0	0	115.2
452	G	28.5	Very low	31.3	Very low	75 Å²	75	124.4 Å²	124.4	77%	0.773	81%	0.808	S	S	*	*			cis	-164.8	155.6	-4.1	0	0	0	0	0	111.9
453	A	32.3	Very low	31.6	Very low	87 Å²	87	126.1 Å²	126.1	72%	0.719	81%	0.808	S	S	*	*			trans	-74.1	155.3	-165.6	0	0	0	0	0	115.9
454	N	29.6	Very low	31.8	Very low	158 Å²	158	130.1 Å²	130.1	85%	0.845	81%	0.81	S	S	*	*				176.3	151.6	104.6	-90.1	-60.3	0	0	0	113.2
455	C	29.7	Very low	31.8	Very low	118 Å²	118	132.4 Å²	132.4	80%	0.797	81%	0.807	S	S	*	*			trans	-122.9	158.3	170.8	-62.3	0	0	0	0	109.6
456	P	44.4	Very low	31.9	Very low	133 Å²	133	129.9 Å²	129.9	86%	0.864	81%	0.807	S	S	*	*				-143.6	172.9	99.9	36.6	-21.1	0	0	0	115.1
457	V	33.5	Very low	31.8	Very low	128 Å²	128	129.9 Å²	129.9	78%	0.776	80%	0.8	S	S	*	*			trans	-96.2	161.8	-178.1	-144.5	0	0	0	0	110.7
458	P	43.2	Very low	31.9	Very low	122 Å²	122	128.9 Å²	128.9	79%	0.792	81%	0.805	S	S	*	*				-145.1	145.8	94.5	36.8	-20.8	0	0	0	117.1
459	A	26.8	Very low	32	Very low	95 Å²	95	135 Å²	135	79%	0.785	81%	0.805	S	S	*	*			trans	20.7	124.5	153.7	0	0	0	0	0	122.4
460	G	29.3	Very low	32	Very low	76 Å²	76	136.5 Å²	136.5	78%	0.784	80%	0.804	S	S	*	*			trans	-164.2	118.3	155	0	0	0	0	0	110.6
461	I	34.3	Very low	32	Very low	166 Å²	166	134.5 Å²	134.5	85%	0.851	80%	0.803	S	S	*	*			trans	-98.2	124.2	-171.2	-46.7	93	0	0	0	111.3
462	G	31	Very low	32	Very low	70 Å²	70	131 Å²	131	72%	0.722	80%	0.799	S	S	*	*			trans	-164	90.6	172.9	0	0	0	0	0	112.3	Q464	G462-Q464 PolarHBondContact O-N 3.48Å
463	K	34	Very low	31.9	Very low	201 Å²	201	137 Å²	137	87%	0.874	80%	0.804	S	S	*	*			trans	-77.3	117.9	179.4	-65.1	-179	-179.5	179.7	0	110.9
464	Q	33.3	Very low	32	Very low	185 Å²	185	142.8 Å²	142.8	86%	0.864	81%	0.808	S	S	*	*			trans	-138.8	134.7	162.8	-61.9	-168.7	18.7	0	0	109.6	G462	G462-Q464 PolarHBondContact O-N 3.48Å
465	N	31	Very low	32	Very low	157 Å²	157	140.3 Å²	140.3	84%	0.84	80%	0.8	S	S	*	*			trans	-87.2	135.5	-177	-84.2	-7	0	0	0	111.6	F467	N465-F467 PolarHBondContact O-N 2.97Å
466	P	32.1	Very low	32.1	Very low	112 Å²	112	144.4 Å²	144.4	73%	0.727	80%	0.804	S	S	*	*			trans	-93.6	74.5	-178.6	37	-35.2	0	0	0	112.7
467	F	27.5	Very low	31.5	Very low	172 Å²	172	145.1 Å²	145.1	75%	0.754	80%	0.801	S	S	*	*			trans	-138.7	103.1	166.1	-80.7	-73.9	0	0	0	111.4	N465 Y469	N465-F467 PolarHBondContact O-N 2.97Å; F467-Y469 HydrophobicContact CD1-CE2 4.27Å
468	V	31.5	Very low	31.4	Very low	138 Å²	138	144.7 Å²	144.7	84%	0.836	80%	0.803	S	S	*	*			trans	-114.6	103.3	172.1	-167.3	0	0	0	0	107.9
469	Y	29.8	Very low	30.8	Very low	205 Å²	205	141.9 Å²	141.9	80%	0.804	80%	0.796	S	S	*	*			trans	-84	113	172.5	-89.1	-89.4	0	0	0	109.6	F467	F467-Y469 HydrophobicContact CD1-CE2 4.27Å
470	T	27.6	Very low	31.1	Very low	134 Å²	134	143.5 Å²	143.5	82%	0.822	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-67.2	130	176.2	-65.9	0	0	0	0	111.3
471	T	30.4	Very low	31.1	Very low	124 Å²	124	147.4 Å²	147.4	76%	0.761	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-74.5	156.6	173	42.3	0	0	0	0	112
472	A	31.9	Very low	31	Very low	96 Å²	96	147.7 Å²	147.7	79%	0.793	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-62.7	138.9	-168.5	0	0	0	0	0	114.1
473	F	26.6	Very low	30.9	Very low	199 Å²	199	151.7 Å²	151.7	87%	0.873	80%	0.802	S	S	*	*			trans	-121.9	128.3	171.9	-138.3	-91.7	0	0	0	109.9
474	W	33.6	Very low	30.6	Very low	210 Å²	210	150.2 Å²	150.2	80%	0.795	80%	0.798	S	S	*	*			trans	-76.4	127.9	-179.1	-74.3	70.6	0	0	0	111	K476	W474-K476 PolarHBondContact O-N 3.1Å; W474-K476 VanDerWaalsContact O-N 3.12Å
475	P	30.2	Very low	30.5	Very low	105 Å²	105	148.9 Å²	148.9	68%	0.682	79%	0.794	S	S	*	*			trans	-67.2	108.9	174.5	-21.2	34	0	0	0	112.1	N477	P475-N477 VanDerWaalsContact C-N 3.32Å; P475-N477 WeakPolarHBondContact CB-OD1 3.38Å; P475-N477 PolarHBondContact O-N 2.93Å; P475-N477 VanDerWaalsContact O-N 3.11Å
476	K	32	Very low	30.4	Very low	205 Å²	205	146.6 Å²	146.6	89%	0.891	79%	0.788	S	S	*	*			trans	-77.7	84.4	162.5	-71.8	-176.3	178.9	178.6	0	108.6	W474 S478	W474-K476 PolarHBondContact O-N 3.1Å; W474-K476 VanDerWaalsContact O-N 3.12Å; K476-S478 PolarHBondContact O-N 2.96Å; K476-S478 VanDerWaalsContact O-N 3.15Å
477	N	31.7	Very low	30.6	Very low	148 Å²	148	145 Å²	145	79%	0.791	78%	0.779	S	S	*	*			trans	-65.2	113.2	-177.1	-88.5	32.7	0	0	0	112.6	P475	P475-N477 VanDerWaalsContact C-N 3.32Å; P475-N477 WeakPolarHBondContact CB-OD1 3.38Å; P475-N477 PolarHBondContact O-N 2.93Å; P475-N477 VanDerWaalsContact O-N 3.11Å
478	S	31.5	Very low	31.3	Very low	118 Å²	118	139.3 Å²	139.3	83%	0.825	76%	0.764	S	S	*	*			trans	-109.4	129.1	159	50	0	0	0	0	109.5	K476	K476-S478 PolarHBondContact O-N 2.96Å; K476-S478 VanDerWaalsContact O-N 3.15Å
479	G	31.5	Very low	31.5	Very low	63 Å²	63	135.1 Å²	135.1	65%	0.649	74%	0.736	S	S	*	*	S	Bend	trans	98.5	142.2	178	0	0	0	0	0	114.9
480	P	32.9	Very low	32	Very low	129 Å²	129	131.1 Å²	131.1	84%	0.838	73%	0.734	S	S	*	*			trans	-94.2	138.8	178.6	35.4	-32	0	0	0	112.8
481	I	29.1	Very low	32.5	Very low	159 Å²	159	131.7 Å²	131.7	82%	0.815	73%	0.731	S	S	*	*			trans	-123.6	115.1	160.8	-64.1	179.1	0	0	0	107.3	L483	I481-L483 PolarHBondContact O-N 3.35Å
482	Q	31.6	Very low	33	Very low	172 Å²	172	126.3 Å²	126.3	80%	0.804	70%	0.697	S	S	*	*			trans	-91.1	82.5	-172.8	-173.4	179.3	-11.5	0	0	111.4	Q484	Q482-Q484 PolarHBondContact O-N 2.84Å
483	L	28.2	Very low	33.6	Very low	154 Å²	154	124.9 Å²	124.9	81%	0.806	68%	0.68	S	S	*	*			trans	-82.3	100.8	165.4	-78.8	169.8	0	0	0	109.9	I481 M485	I481-L483 PolarHBondContact O-N 3.35Å; L483-M485 PolarHBondContact O-N 2.87Å
484	Q	29.4	Very low	34.3	Very low	170 Å²	170	120.9 Å²	120.9	79%	0.794	67%	0.674	S	S	*	*			trans	-77	83.6	179.9	-175.6	177.2	-40.5	0	0	111.3	Q482	Q482-Q484 PolarHBondContact O-N 2.84Å
485	M	29.4	Very low	34.8	Very low	157 Å²	157	113.8 Å²	113.8	77%	0.773	66%	0.656	S	S	*	*			trans	-76.1	146.5	169.6	-72.8	-64.3	-73	0	0	111.6	L483	L483-M485 PolarHBondContact O-N 2.87Å
486	P	30.3	Very low	35.4	Very low	109 Å²	109	109.5 Å²	109.5	71%	0.708	63%	0.627	S	S	*	*			trans	-57.8	143.3	172.3	-24.1	34.7	0	0	0	112.2	A488	P486-A488 PolarHBondContact O-N 2.8Å; P486-A488 VanDerWaalsContact O-N 3.11Å
487	S	36.2	Very low	36	Very low	79 Å²	79	101.8 Å²	101.8	55%	0.552	60%	0.597	S	S	*	*			trans	-65.5	112.3	-174.5	-171.3	0	0	0	0	112	L489 T490	S487-L489 PolarHBondContact O-N 2.85Å; S487-T490 PolarHBondContact O-N 2.68Å; S487-T490 PolarHBondContact O-OG1 2.78Å
488	A	41.1	Very low	36.6	Very low	51 Å²	51	98 Å²	98	42%	0.421	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-63.2	-9.2	-177.2	0	0	0	0	0	114.7	P486 T490 L491	P486-A488 PolarHBondContact O-N 2.8Å; P486-A488 VanDerWaalsContact O-N 3.11Å; A488-T490 PolarHBondContact O-N 3.35Å; A488-T490 VanDerWaalsContact O-N 3.15Å; A488-L491 PolarHBondContact O-N 2.91Å
489	L	37.4	Very low	37.3	Very low	50 Å²	50	95.3 Å²	95.3	26%	0.262	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-59	-23.2	176.3	-66.6	173.5	0	0	0	113.4	L22 S487 L492 L501	L22-L489 HydrophobicContact CD1-CD2 3.98Å; S487-L489 PolarHBondContact O-N 2.85Å; L489-L492 HydrophobicContact CD2-CD1 3.87Å; L489-L501 HydrophobicContact CD1-CD2 4.1Å
490	T	38.4	Very low	37.9	Very low	122 Å²	122	92.5 Å²	92.5	75%	0.748	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-79.8	-12.9	177.3	56.3	0	0	0	0	114.3	S487 A488	S487-T490 PolarHBondContact O-N 2.68Å; S487-T490 PolarHBondContact O-OG1 2.78Å; A488-T490 PolarHBondContact O-N 3.35Å; A488-T490 VanDerWaalsContact O-N 3.15Å
491	L	40.1	Very low	38.7	Very low	145 Å²	145	89.3 Å²	89.3	76%	0.759	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-98.1	-4	178.4	-60.5	179.5	0	0	0	113.1	A488	A488-L491 PolarHBondContact O-N 2.91Å
492	L	39.5	Very low	39.5	Very low	11 Å²	11	83.8 Å²	83.8	6%	0.058	48%	0.478	C	S	.	.	S	Bend	trans	-68.9	137.2	174	-69.3	168.6	0	0	0	110.7	L22 F26 L489 F496 T497 C500	L22-L492 HydrophobicContact CD2-CD1 3.86Å; L22-L492 HydrophobicContact CD2-CD2 3.75Å; L22-L492 HydrophobicContact CD2-CG 4.3Å; F26-L492 HydrophobicContact CE2-CD2 4Å; F26-L492 HydrophobicContact CZ-CD2 3.78Å; L489-L492 HydrophobicContact CD2-CD1 3.87Å; L492-F496 HydrophobicContact CB-CB 4.35Å; L492-F496 HydrophobicContact CD2-CB 4.07Å; L492-T497 PolarHBondContact O-OG1 2.88Å; L492-C500 HydrophobicContact CD1-CB 4.17Å
493	P	45.3	Very low	40.7	Very low	67 Å²	67	77.1 Å²	77.1	44%	0.435	45%	0.453	S	S	.	.			trans	-55.3	144	163.4	-21.6	32.3	0	0	0	109.8	S495 F496 T497	P493-S495 PolarHBondContact O-N 2.84Å; P493-F496 HydrophobicContact CB-CD2 4.28Å; P493-F496 HydrophobicContact CG-CD2 4.31Å; P493-F496 PolarHBondContact O-N 2.97Å; P493-T497 PolarHBondContact O-N 3.02Å; P493-T497 PolarHBondContact O-OG1 3Å
494	P	40.5	Very low	42.4	Very low	115 Å²	115	76.1 Å²	76.1	75%	0.747	44%	0.444	S	S	*	.	H	α-helix	trans	-54.4	-26.1	-175.2	-29.6	35.8	0	0	0	115	F496	P494-F496 VanDerWaalsContact C-N 3.27Å; P494-F496 PolarHBondContact O-N 3.19Å
495	S	44.4	Very low	44.4	Very low	60 Å²	60	69.4 Å²	69.4	42%	0.42	41%	0.414	S	S	.	.	H	α-helix	trans	-72.3	-10.2	175.1	53.8	0	0	0	0	115.2	R177 P493 L499	R177-S495 PolarHBondContact NH2-O 3.3Å; P493-S495 PolarHBondContact O-N 2.84Å; S495-L499 WeakPolarHBondContact O-CD1 3.24Å
496	F	42.2	Very low	46.7	Very low	15 Å²	15	69.9 Å²	69.9	7%	0.066	41%	0.407	C	S	.	.	H	α-helix	trans	-113.1	-28.3	175	-75.3	-94.2	0	0	0	112.9	I25 L60 T63 R177 L492 P493 P494 S498 L499 C500	I25-F496 HydrophobicContact CD1-CD1 4.37Å; I25-F496 HydrophobicContact CG2-CE1 4.47Å; L60-F496 VanDerWaalsContact O-CE1 3.26Å; L60-F496 WeakPolarHBondContact O-CE1 3.48Å; L60-F496 WeakPolarHBondContact O-CZ 3.29Å; T63-F496 HydrophobicContact CG2-CE2 3.49Å; T63-F496 VanDerWaalsContact CG2-CE2 3.49Å; T63-F496 HydrophobicContact CG2-CZ 3.53Å; R177-F496 VanDerWaalsContact NH2-CE2 3.34Å; L492-F496 HydrophobicContact CB-CB 4.35Å; L492-F496 HydrophobicContact CD2-CB 4.07Å; P493-F496 HydrophobicContact CB-CD2 4.28Å; P493-F496 HydrophobicContact CG-CD2 4.31Å; P493-F496 PolarHBondContact O-N 2.97Å; P494-F496 VanDerWaalsContact C-N 3.27Å; P494-F496 PolarHBondContact O-N 3.19Å; F496-S498 PolarHBondContact O-N 3.01Å; F496-L499 WeakPolarHBondContact O-CA 3.46Å; F496-L499 PolarHBondContact O-N 3.38Å; F496-C500 PolarHBondContact O-N 3.29Å; F496-C500 VanDerWaalsContact O-N 3.08Å; F496-C500 PolarHBondContact O-SG 3.15Å; F496-C500 VanDerWaalsContact O-SG 3.37Å
497	T	45	Very low	49	Very low	44 Å²	44	64.7 Å²	64.7	27%	0.27	37%	0.373	S	S	.	.	H	α-helix	trans	-55.4	-39.7	176.5	-35.9	0	0	0	0	111.7	L492 P493 L501	L492-T497 PolarHBondContact O-OG1 2.88Å; P493-T497 PolarHBondContact O-N 3.02Å; P493-T497 PolarHBondContact O-OG1 3Å; T497-L501 WeakPolarHBondContact O-CG 3.48Å
498	S	45.5	Very low	51	Low	68 Å²	68	65.6 Å²	65.6	48%	0.476	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-36.1	172.9	-178.5	0	0	0	0	113	F496 R515	F496-S498 PolarHBondContact O-N 3.01Å; S498-R515 PolarHBondContact O-NE 3.24Å; S498-R515 PolarHBondContact O-NH2 3.41Å
499	L	45.7	Very low	52.3	Low	62 Å²	62	68.6 Å²	68.6	33%	0.325	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-20.3	-172.3	-66	177.8	0	0	0	114.4	L60 S495 F496 R515	L60-L499 HydrophobicContact CD2-CD1 3.9Å; L60-L499 HydrophobicContact CG-CD1 4.12Å; S495-L499 WeakPolarHBondContact O-CD1 3.24Å; F496-L499 WeakPolarHBondContact O-CA 3.46Å; F496-L499 PolarHBondContact O-N 3.38Å; L499-R515 PolarHBondContact O-NH1 3.45Å; L499-R515 PolarHBondContact O-NH2 2.97Å
500	C	43.9	Very low	54.2	Low	4 Å²	4	68.8 Å²	68.8	3%	0.027	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	0.6	-176.5	-53.3	0	0	0	0	114.3	V18 L22 L492 F496	V18-C500 WeakPolarHBondContact CG1-O 3.45Å; V18-C500 WeakPolarHBondContact CG2-O 3.39Å; L22-C500 HydrophobicContact CD2-CB 3.73Å; L22-C500 HydrophobicContact CG-CB 4.25Å; L492-C500 HydrophobicContact CD1-CB 4.17Å; F496-C500 PolarHBondContact O-N 3.29Å; F496-C500 VanDerWaalsContact O-N 3.08Å; F496-C500 PolarHBondContact O-SG 3.15Å; F496-C500 VanDerWaalsContact O-SG 3.37Å
501	L	50.2	Low	55.8	Low	62 Å²	62	69.1 Å²	69.1	33%	0.325	39%	0.391	S	S	.	.	S	Bend	trans	-85	140.9	174.3	-69.9	169.7	0	0	0	111.1	L489 T497 R515	L489-L501 HydrophobicContact CD1-CD2 4.1Å; T497-L501 WeakPolarHBondContact O-CG 3.48Å; L501-R515 PolarHBondContact O-NH2 2.9Å
502	P	46.3	Very low	57.2	Low	42 Å²	42	63.9 Å²	63.9	27%	0.273	37%	0.369	S	S	.	.			trans	-56.8	157	173.1	-21.1	32.4	0	0	0	111.7	D14 V18 Q504	D14-P502 HydrophobicContact CB-CB 4.34Å; D14-P502 HydrophobicContact CB-CG 4.43Å; V18-P502 HydrophobicContact CG2-CG 3.84Å; P502-Q504 VanDerWaalsContact C-N 3.32Å; P502-Q504 PolarHBondContact O-N 3.4Å
503	A	56.8	Low	58.9	Low	33 Å²	33	67.4 Å²	67.4	27%	0.273	39%	0.394	S	S	.	.			trans	-76.6	85.3	175.9	0	0	0	0	0	110.6	N505	A503-N505 PolarHBondContact O-N 2.94Å
504	Q	61.9	Low	60.2	Low	132 Å²	132	65.8 Å²	65.8	62%	0.617	38%	0.38	S	S	*	.			trans	-62.7	-6.7	-175.8	-65.3	177.7	-3	0	0	114.6	P502	P502-Q504 VanDerWaalsContact C-N 3.32Å; P502-Q504 PolarHBondContact O-N 3.4Å
505	N	72.5	Confident	61.9	Low	29 Å²	29	65 Å²	65	16%	0.155	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	129.5	-174.2	-62.2	-86.7	0	0	0	110.2	A503 F514 R515 T517 L520	A503-N505 PolarHBondContact O-N 2.94Å; N505-F514 HydrophobicContact CB-CB 4.12Å; N505-F514 PolarHBondContact N-O 3.17Å; N505-F514 PolarHBondContact O-N 2.92Å; N505-R515 PolarHBondContact ND2-O 3.38Å; N505-T517 VanDerWaalsContact OD1-CG2 3.24Å; N505-T517 WeakPolarHBondContact OD1-CG2 3.11Å; N505-L520 HydrophobicContact CB-CB 4.19Å; N505-L520 HydrophobicContact CB-CD2 3.86Å
506	W	77.5	Confident	63.3	Low	167 Å²	167	67.5 Å²	67.5	63%	0.633	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.6	177.9	51.3	79.9	0	0	0	111.9	A508 A512	W506-A508 PolarHBondContact O-N 3.31Å; W506-A512 WeakPolarHBondContact CA-O 3.29Å
507	C	79.6	Confident	64.7	Low	0 Å²	0	71.2 Å²	71.2	0%	0	39%	0.393	C	S	.	.			trans	-85.4	110.8	177.5	-171.6	0	0	0	0	111.5	K509 C510 N511 A512 F514 L520 H523	C507-K509 PolarHBondContact O-N 2.62Å; C507-C510 PolarHBondContact O-N 3.36Å; C507-N511 VanDerWaalsContact O-CA 3.3Å; C507-N511 WeakPolarHBondContact O-CA 3.26Å; C507-N511 PolarHBondContact O-N 3.33Å; C507-A512 PolarHBondContact N-O 2.73Å; C507-F514 HydrophobicContact CB-CE2 3.95Å; C507-L520 HydrophobicContact CB-CD1 3.54Å; C507-H523 PolarHBondContact SG-NE2 3.04Å
508	A	77.1	Confident	66.5	Low	98 Å²	98	71.8 Å²	71.8	81%	0.81	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-0.5	179.6	0	0	0	0	0	116	W506	W506-A508 PolarHBondContact O-N 3.31Å
509	K	69.4	Low	68.2	Low	114 Å²	114	71.7 Å²	71.7	50%	0.496	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-35.2	175.9	-76	-164.7	172.5	-163.3	0	114.8	C507 H528 Y532	C507-K509 PolarHBondContact O-N 2.62Å; K509-H528 HydrophobicContact CD-CB 4.23Å; K509-Y532 PolarHBondContact NZ-OH 2.87Å
510	C	76.3	Confident	70.1	Confident	54 Å²	54	69.8 Å²	69.8	37%	0.365	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-1.3	-176.9	63.7	0	0	0	0	113.9	C507 A512 H523 H528	C507-C510 PolarHBondContact O-N 3.36Å; C510-A512 PolarHBondContact O-N 3.06Å; C510-A512 VanDerWaalsContact O-N 3.09Å; C510-A512 VanDerWaalsContact SG-CB 3.5Å; C510-H523 PolarHBondContact SG-NE2 3.44Å; C510-H528 PolarHBondContact SG-NE2 3.02Å
511	N	71.2	Confident	72	Confident	130 Å²	130	72.5 Å²	72.5	70%	0.695	40%	0.4	S	S	*	.			trans	57	15.6	-174.7	-145.3	83.3	0	0	0	115.5	C507	C507-N511 VanDerWaalsContact O-CA 3.3Å; C507-N511 WeakPolarHBondContact O-CA 3.26Å; C507-N511 PolarHBondContact O-N 3.33Å
512	A	69.8	Low	73.7	Confident	34 Å²	34	76.8 Å²	76.8	28%	0.281	41%	0.412	S	S	.	.			trans	-65.1	142.1	170.9	0	0	0	0	0	110.8	W506 C507 C510 F514	W506-A512 WeakPolarHBondContact CA-O 3.29Å; C507-A512 PolarHBondContact N-O 2.73Å; C510-A512 PolarHBondContact O-N 3.06Å; C510-A512 VanDerWaalsContact O-N 3.09Å; C510-A512 VanDerWaalsContact SG-CB 3.5Å; A512-F514 HydrophobicContact CB-CE2 3.69Å; A512-F514 HydrophobicContact CB-CZ 3.83Å; A512-F514 WeakPolarHBondContact O-CD2 3.42Å; A512-F514 VanDerWaalsContact O-CE2 3.26Å; A512-F514 WeakPolarHBondContact O-CE2 3.45Å
513	S	75.5	Confident	75.6	Confident	85 Å²	85	76 Å²	76	59%	0.594	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	139.9	-173.6	55.1	0	0	0	0	111.3
514	F	73.8	Confident	76.9	Confident	33 Å²	33	79 Å²	79	15%	0.145	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145	-172.3	-61.9	-84.3	0	0	0	110.7	N505 C507 A512 D519 L520 H523	N505-F514 HydrophobicContact CB-CB 4.12Å; N505-F514 PolarHBondContact N-O 3.17Å; N505-F514 PolarHBondContact O-N 2.92Å; C507-F514 HydrophobicContact CB-CE2 3.95Å; A512-F514 HydrophobicContact CB-CE2 3.69Å; A512-F514 HydrophobicContact CB-CZ 3.83Å; A512-F514 WeakPolarHBondContact O-CD2 3.42Å; A512-F514 VanDerWaalsContact O-CE2 3.26Å; A512-F514 WeakPolarHBondContact O-CE2 3.45Å; F514-D519 HydrophobicContact CB-CB 4.43Å; F514-D519 HydrophobicContact CD1-CB 3.86Å; F514-L520 HydrophobicContact CB-CB 3.96Å; F514-L520 HydrophobicContact CD2-CB 3.91Å; F514-L520 HydrophobicContact CD2-CD1 3.76Å; F514-L520 HydrophobicContact CD2-CG 4.42Å; F514-L520 HydrophobicContact CE2-CD1 4Å; F514-L520 HydrophobicContact CG-CB 3.94Å; F514-H523 HydrophobicContact CE1-CB 3.72Å; F514-H523 AromaticContact CE1-CG 3.96Å; F514-H523 HydrophobicContact CE2-CB 4.28Å; F514-H523 AromaticContact CE2-CD2 3.82Å; F514-H523 AromaticContact CE2-CG 3.98Å; F514-H523 HydrophobicContact CZ-CB 3.53Å; F514-H523 AromaticContact CZ-CD2 3.58Å; F514-H523 AromaticContact CZ-CG 3.28Å; F514-H523 AromaticContact CZ-ND1 3.67Å
515	R	75.6	Confident	78	Confident	99 Å²	99	81.3 Å²	81.3	37%	0.374	42%	0.417	S	S	.	.	S	Bend	trans	-88.7	-45.2	-177.6	-42.2	-160.5	94.9	137.3	-2	110.6	S498 L499 L501 N505	S498-R515 PolarHBondContact O-NE 3.24Å; S498-R515 PolarHBondContact O-NH2 3.41Å; L499-R515 PolarHBondContact O-NH1 3.45Å; L499-R515 PolarHBondContact O-NH2 2.97Å; L501-R515 PolarHBondContact O-NH2 2.9Å; N505-R515 PolarHBondContact ND2-O 3.38Å
516	M	72.9	Confident	78.3	Confident	113 Å²	113	82.2 Å²	82.2	56%	0.557	43%	0.426	S	S	*	.	S	Bend	trans	-101.5	148.2	175.2	-55.1	175.1	62.1	0	0	111.8	S518 D519 L520	M516-S518 WeakPolarHBondContact CB-OG 3.32Å; M516-S518 PolarHBondContact O-N 3.01Å; M516-D519 WeakPolarHBondContact CB-OD2 3.49Å; M516-D519 PolarHBondContact O-N 3.25Å; M516-D519 VanDerWaalsContact O-N 3.15Å; M516-L520 PolarHBondContact O-N 3.14Å
517	T	72.2	Confident	78.1	Confident	93 Å²	93	78.9 Å²	78.9	57%	0.571	42%	0.417	S	S	*	.	H	α-helix	trans	-61.3	-33.3	172.7	47.7	0	0	0	0	112.1	N505 D519 V521	N505-T517 VanDerWaalsContact OD1-CG2 3.24Å; N505-T517 WeakPolarHBondContact OD1-CG2 3.11Å; T517-D519 PolarHBondContact O-N 3.25Å; T517-V521 WeakPolarHBondContact O-CB 3.4Å; T517-V521 VanDerWaalsContact O-CG2 3.25Å; T517-V521 WeakPolarHBondContact O-CG2 3.27Å; T517-V521 PolarHBondContact O-N 3.17Å
518	S	81.9	Confident	77.8	Confident	56 Å²	56	79.7 Å²	79.7	39%	0.392	42%	0.421	S	S	.	.	H	α-helix	trans	-53.6	-42.2	172.4	47.2	0	0	0	0	112.2	M516 V521 Y522	M516-S518 WeakPolarHBondContact CB-OG 3.32Å; M516-S518 PolarHBondContact O-N 3.01Å; S518-V521 PolarHBondContact O-N 2.86Å; S518-Y522 VanDerWaalsContact O-CB 3.26Å; S518-Y522 WeakPolarHBondContact O-CB 3.5Å; S518-Y522 PolarHBondContact O-N 2.98Å
519	D	82.9	Confident	77.1	Confident	65 Å²	65	82.3 Å²	82.3	35%	0.348	41%	0.414	S	S	.	.	H	α-helix	trans	-79.8	-41	-168.2	-47.1	-14.8	0	0	0	109.7	F514 M516 T517 Y522 H523	F514-D519 HydrophobicContact CB-CB 4.43Å; F514-D519 HydrophobicContact CD1-CB 3.86Å; M516-D519 WeakPolarHBondContact CB-OD2 3.49Å; M516-D519 PolarHBondContact O-N 3.25Å; M516-D519 VanDerWaalsContact O-N 3.15Å; T517-D519 PolarHBondContact O-N 3.25Å; D519-Y522 PolarHBondContact O-N 3.48Å; D519-H523 WeakPolarHBondContact O-CB 3.46Å; D519-H523 PolarHBondContact O-N 3.03Å
520	L	84.4	Confident	76.1	Confident	23 Å²	23	84 Å²	84	12%	0.12	42%	0.422	C	S	.	.	H	α-helix	trans	-58.6	-47.1	168.7	171.9	59.2	0	0	0	111.1	N505 C507 F514 M516 H523 M524	N505-L520 HydrophobicContact CB-CB 4.19Å; N505-L520 HydrophobicContact CB-CD2 3.86Å; C507-L520 HydrophobicContact CB-CD1 3.54Å; F514-L520 HydrophobicContact CB-CB 3.96Å; F514-L520 HydrophobicContact CD2-CB 3.91Å; F514-L520 HydrophobicContact CD2-CD1 3.76Å; F514-L520 HydrophobicContact CD2-CG 4.42Å; F514-L520 HydrophobicContact CE2-CD1 4Å; F514-L520 HydrophobicContact CG-CB 3.94Å; M516-L520 PolarHBondContact O-N 3.14Å; L520-H523 PolarHBondContact O-N 2.76Å; L520-M524 HydrophobicContact CD1-CG 3.97Å; L520-M524 HydrophobicContact CD1-SD 3.76Å; L520-M524 HydrophobicContact CG-SD 4.03Å; L520-M524 WeakPolarHBondContact O-CB 3.16Å; L520-M524 VanDerWaalsContact O-CG 3.3Å; L520-M524 WeakPolarHBondContact O-CG 3.36Å; L520-M524 PolarHBondContact O-N 3.32Å
521	V	83.5	Confident	74.5	Confident	61 Å²	61	87 Å²	87	37%	0.37	43%	0.43	S	S	.	.	H	α-helix	trans	-66.9	-39.2	-179.6	170	0	0	0	0	111.2	T517 S518 R525	T517-V521 WeakPolarHBondContact O-CB 3.4Å; T517-V521 VanDerWaalsContact O-CG2 3.25Å; T517-V521 WeakPolarHBondContact O-CG2 3.27Å; T517-V521 PolarHBondContact O-N 3.17Å; S518-V521 PolarHBondContact O-N 2.86Å; V521-R525 HydrophobicContact CG1-CG 4.49Å; V521-R525 VanDerWaalsContact O-CB 3.28Å; V521-R525 WeakPolarHBondContact O-CB 3.48Å; V521-R525 WeakPolarHBondContact O-CD 3.35Å; V521-R525 WeakPolarHBondContact O-CG 3.29Å; V521-R525 PolarHBondContact O-N 3.18Å
522	Y	86	Confident	73.3	Confident	151 Å²	151	89.5 Å²	89.5	59%	0.592	43%	0.431	S	S	*	.	H	α-helix	trans	-64.7	-47.2	174.4	-177.9	-96.1	0	0	0	111.4	S518 D519 M524 R525 S526	S518-Y522 VanDerWaalsContact O-CB 3.26Å; S518-Y522 WeakPolarHBondContact O-CB 3.5Å; S518-Y522 PolarHBondContact O-N 2.98Å; D519-Y522 PolarHBondContact O-N 3.48Å; Y522-M524 PolarHBondContact O-N 3.48Å; Y522-R525 CarbonylContact O-C 3.57Å; Y522-R525 PolarHBondContact O-N 2.89Å; Y522-R525 VanDerWaalsContact O-N 3.13Å; Y522-S526 WeakPolarHBondContact O-CB 3.49Å; Y522-S526 PolarHBondContact O-N 3.34Å; Y522-S526 PolarHBondContact O-OG 3.3Å
523	H	86	Confident	71.9	Confident	27 Å²	27	92 Å²	92	13%	0.125	45%	0.447	C	S	.	.	H	α-helix	trans	-55.4	-51.2	173.8	170	79.2	0	0	0	111.6	C507 C510 F514 D519 L520 R525 S526 H527 H528	C507-H523 PolarHBondContact SG-NE2 3.04Å; C510-H523 PolarHBondContact SG-NE2 3.44Å; F514-H523 HydrophobicContact CE1-CB 3.72Å; F514-H523 AromaticContact CE1-CG 3.96Å; F514-H523 HydrophobicContact CE2-CB 4.28Å; F514-H523 AromaticContact CE2-CD2 3.82Å; F514-H523 AromaticContact CE2-CG 3.98Å; F514-H523 HydrophobicContact CZ-CB 3.53Å; F514-H523 AromaticContact CZ-CD2 3.58Å; F514-H523 AromaticContact CZ-CG 3.28Å; F514-H523 AromaticContact CZ-ND1 3.67Å; D519-H523 WeakPolarHBondContact O-CB 3.46Å; D519-H523 PolarHBondContact O-N 3.03Å; L520-H523 PolarHBondContact O-N 2.76Å; H523-R525 PolarHBondContact O-N 3.04Å; H523-S526 PolarHBondContact O-N 2.84Å; H523-S526 PolarHBondContact O-OG 3.14Å; H523-H527 AromaticContact CE1-CD2 3.36Å; H523-H527 PolarHBondContact CE1-CD2 2.85Å; H523-H527 AromaticContact CE1-CE1 3.21Å; H523-H527 PolarHBondContact CE1-CE1 3.17Å; H523-H527 AromaticContact CE1-CG 2.98Å; H523-H527 AromaticContact CE1-ND1 2.86Å; H523-H527 PolarHBondContact CE1-ND1 3.33Å; H523-H527 AromaticContact CE1-NE2 3.5Å; H523-H527 PolarHBondContact CE1-NE2 3.22Å; H523-H527 WeakPolarHBondContact ND1-CB 3.41Å; H523-H527 AromaticContact ND1-CG 3.74Å; H523-H527 WeakPolarHBondContact O-CB 3.1Å; H523-H527 PolarHBondContact O-N 2.82Å; H523-H528 AromaticContact NE2-CD2 3.02Å; H523-H528 PolarHBondContact NE2-CD2 3.4Å; H523-H528 AromaticContact NE2-CE1 3.75Å; H523-H528 AromaticContact NE2-NE2 2.58Å; H523-H528 PolarHBondContact NE2-NE2 3.05Å; H523-H528 PolarHBondContact O-N 3.47Å
524	M	84.3	Confident	70.3	Confident	94 Å²	94	94.2 Å²	94.2	46%	0.463	45%	0.449	S	S	.	.	H	α-helix	trans	-60.4	-32.3	177.2	-72.8	178.1	70.2	0	0	112.8	L520 Y522	L520-M524 HydrophobicContact CD1-CG 3.97Å; L520-M524 HydrophobicContact CD1-SD 3.76Å; L520-M524 HydrophobicContact CG-SD 4.03Å; L520-M524 WeakPolarHBondContact O-CB 3.16Å; L520-M524 VanDerWaalsContact O-CG 3.3Å; L520-M524 WeakPolarHBondContact O-CG 3.36Å; L520-M524 PolarHBondContact O-N 3.32Å; Y522-M524 PolarHBondContact O-N 3.48Å
525	R	85.4	Confident	68.6	Low	181 Å²	181	98.1 Å²	98.1	68%	0.683	47%	0.468	S	S	*	.	H	α-helix	trans	-88.2	-10.5	179.5	-71.3	174.5	-179.4	-162.6	2.3	115	V521 Y522 H523 K529	V521-R525 HydrophobicContact CG1-CG 4.49Å; V521-R525 VanDerWaalsContact O-CB 3.28Å; V521-R525 WeakPolarHBondContact O-CB 3.48Å; V521-R525 WeakPolarHBondContact O-CD 3.35Å; V521-R525 WeakPolarHBondContact O-CG 3.29Å; V521-R525 PolarHBondContact O-N 3.18Å; Y522-R525 CarbonylContact O-C 3.57Å; Y522-R525 PolarHBondContact O-N 2.89Å; Y522-R525 VanDerWaalsContact O-N 3.13Å; H523-R525 PolarHBondContact O-N 3.04Å; R525-K529 WeakPolarHBondContact O-CB 3.38Å; R525-K529 VanDerWaalsContact O-CD 3.23Å; R525-K529 WeakPolarHBondContact O-CD 3.27Å
526	S	80	Confident	66.9	Low	49 Å²	49	99.1 Å²	99.1	34%	0.343	49%	0.487	S	S	.	.	H	α-helix	trans	-116	-64.4	-178.1	55.1	0	0	0	0	110.6	Y522 H523 K529 K530	Y522-S526 WeakPolarHBondContact O-CB 3.49Å; Y522-S526 PolarHBondContact O-N 3.34Å; Y522-S526 PolarHBondContact O-OG 3.3Å; H523-S526 PolarHBondContact O-N 2.84Å; H523-S526 PolarHBondContact O-OG 3.14Å; S526-K529 PolarHBondContact O-N 2.72Å; S526-K530 PolarHBondContact O-N 2.69Å
527	H	72.9	Confident	65.7	Low	96 Å²	96	99 Å²	99	44%	0.444	49%	0.489	S	S	.	.	H	α-helix	trans	-58.4	-63.4	178.8	-162.7	-92.6	0	0	0	110.6	H523 K529 K530 E531	H523-H527 AromaticContact CE1-CD2 3.36Å; H523-H527 PolarHBondContact CE1-CD2 2.85Å; H523-H527 AromaticContact CE1-CE1 3.21Å; H523-H527 PolarHBondContact CE1-CE1 3.17Å; H523-H527 AromaticContact CE1-CG 2.98Å; H523-H527 AromaticContact CE1-ND1 2.86Å; H523-H527 PolarHBondContact CE1-ND1 3.33Å; H523-H527 AromaticContact CE1-NE2 3.5Å; H523-H527 PolarHBondContact CE1-NE2 3.22Å; H523-H527 WeakPolarHBondContact ND1-CB 3.41Å; H523-H527 AromaticContact ND1-CG 3.74Å; H523-H527 WeakPolarHBondContact O-CB 3.1Å; H523-H527 PolarHBondContact O-N 2.82Å; H527-K529 PolarHBondContact O-N 2.72Å; H527-K530 PolarHBondContact O-N 3.46Å; H527-E531 WeakPolarHBondContact O-CG 3.5Å; H527-E531 PolarHBondContact O-N 3.27Å
528	H	72.9	Confident	64.4	Low	18 Å²	18	101.1 Å²	101.1	8%	0.083	50%	0.501	C	S	.	.	H	α-helix	trans	-76.4	-1.3	-178.7	-67.7	-57.5	0	0	0	115	K509 C510 H523 Y532	K509-H528 HydrophobicContact CD-CB 4.23Å; C510-H528 PolarHBondContact SG-NE2 3.02Å; H523-H528 AromaticContact NE2-CD2 3.02Å; H523-H528 PolarHBondContact NE2-CD2 3.4Å; H523-H528 AromaticContact NE2-CE1 3.75Å; H523-H528 AromaticContact NE2-NE2 2.58Å; H523-H528 PolarHBondContact NE2-NE2 3.05Å; H523-H528 PolarHBondContact O-N 3.47Å; H528-Y532 VanDerWaalsContact O-CD2 3.25Å; H528-Y532 WeakPolarHBondContact O-CD2 3.14Å
529	K	61.3	Low	62.4	Low	152 Å²	152	107.7 Å²	107.7	66%	0.661	52%	0.523	S	S	*	.	H	α-helix	trans	-83.1	-36.7	170.6	-171.1	177.1	179.3	-174.8	0	111.6	R525 S526 H527 Y532	R525-K529 WeakPolarHBondContact O-CB 3.38Å; R525-K529 VanDerWaalsContact O-CD 3.23Å; R525-K529 WeakPolarHBondContact O-CD 3.27Å; S526-K529 PolarHBondContact O-N 2.72Å; H527-K529 PolarHBondContact O-N 2.72Å; K529-Y532 PolarHBondContact O-N 2.75Å
530	K	48.7	Very low	60.3	Low	149 Å²	149	112.8 Å²	112.8	65%	0.648	54%	0.537	S	S	*	.	H	α-helix	trans	-69.8	-36.5	173.8	-161.1	176.2	-176.9	-177	0	111.7	S526 H527 Y532 S533 M534	S526-K530 PolarHBondContact O-N 2.69Å; H527-K530 PolarHBondContact O-N 3.46Å; K530-Y532 VanDerWaalsContact C-N 3.26Å; K530-Y532 PolarHBondContact O-N 3.03Å; K530-S533 PolarHBondContact O-N 3.03Å; K530-S533 PolarHBondContact O-OG 3.26Å; K530-M534 PolarHBondContact O-N 3.08Å
531	E	43.4	Very low	58.3	Low	118 Å²	118	123.1 Å²	123.1	55%	0.551	57%	0.574	S	S	*	*	H	α-helix	trans	-59	-31.4	172.3	-62.1	-69.2	101.9	0	0	113.3	H527 M534	H527-E531 WeakPolarHBondContact O-CG 3.5Å; H527-E531 PolarHBondContact O-N 3.27Å; E531-M534 CarbonylContact O-C 3.54Å; E531-M534 PolarHBondContact O-N 3.15Å
532	Y	45	Very low	56.4	Low	182 Å²	182	131 Å²	131	71%	0.714	60%	0.598	S	S	*	*	H	α-helix	trans	-75	-23.4	175.3	-91.5	-62.1	0	0	0	113.6	K509 H528 K529 K530	K509-Y532 PolarHBondContact NZ-OH 2.87Å; H528-Y532 VanDerWaalsContact O-CD2 3.25Å; H528-Y532 WeakPolarHBondContact O-CD2 3.14Å; K529-Y532 PolarHBondContact O-N 2.75Å; K530-Y532 VanDerWaalsContact C-N 3.26Å; K530-Y532 PolarHBondContact O-N 3.03Å
533	S	41.7	Very low	54.6	Low	88 Å²	88	127.6 Å²	127.6	62%	0.615	59%	0.587	S	S	*	*	H	α-helix	trans	-87.5	-16.8	171.1	47.3	0	0	0	0	113.7	K530	K530-S533 PolarHBondContact O-N 3.03Å; K530-S533 PolarHBondContact O-OG 3.26Å
534	M	40.7	Very low	53	Low	130 Å²	130	134.2 Å²	134.2	64%	0.64	62%	0.618	S	S	*	*	S	Bend	trans	-114.2	50	180	-62.1	-59.7	-60.9	0	0	112.3	K530 E531	K530-M534 PolarHBondContact O-N 3.08Å; E531-M534 CarbonylContact O-C 3.54Å; E531-M534 PolarHBondContact O-N 3.15Å
535	E	38.3	Very low	51.8	Low	115 Å²	115	136.3 Å²	136.3	54%	0.537	63%	0.625	S	S	.	*			trans	76.2	136.2	135.5	-152	175.1	170.6	0	0	120.9	L537	E535-L537 HydrophobicContact CG-CB 4.07Å
536	P	40.9	Very low	51.2	Low	120 Å²	120	130 Å²	130	78%	0.779	60%	0.604	S	S	*	*	S	Bend	trans	-90.4	11.8	169.2	34.5	-33.1	0	0	0	115.2
537	L	47.8	Very low	51.4	Low	111 Å²	111	133.6 Å²	133.6	58%	0.581	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	121.4	142.2	-78.2	64.3	0	0	0	104.7	E535	E535-L537 HydrophobicContact CG-CB 4.07Å
538	V	44.7	Very low	51.9	Low	137 Å²	137	129 Å²	129	83%	0.83	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	cis	-137.2	83.5	30.6	-176.5	0	0	0	0	110.8
539	K	39.5	Very low	52.2	Low	195 Å²	195	132.9 Å²	132.9	85%	0.848	62%	0.619	S	S	*	*			trans	-152.4	36.2	160.7	-118.7	159	-168.3	170.2	0	115.6	R541	K539-R541 VanDerWaalsContact C-N 3.26Å; K539-R541 PolarHBondContact O-N 2.94Å
540	R	39.2	Very low	53.2	Low	172 Å²	172	130.7 Å²	130.7	65%	0.649	61%	0.613	S	S	*	*			trans	-62.6	90.1	157.6	-115	171	159.7	122.3	-12.8	108.6	R542 E543	R540-R542 VanDerWaalsContact C-N 3.26Å; R540-R542 PolarHBondContact O-N 2.8Å; R540-E543 HydrophobicContact CG-CG 4.19Å; R540-E543 IonicContact CZ-OE1 3.43Å; R540-E543 IonicContact NE-OE1 2.91Å; R540-E543 PolarHBondContact NE-OE1 2.84Å; R540-E543 IonicContact NE-OE2 2.87Å; R540-E543 IonicContact NH2-OE1 3.89Å; R540-E543 PolarHBondContact NH2-OE1 2.91Å
541	R	41.5	Very low	55	Low	240 Å²	240	126.1 Å²	126.1	91%	0.906	60%	0.6	S	S	*	*			trans	-67.8	79.1	-177.2	-171.5	-170.4	-167.1	-171.5	5.3	110.2	K539	K539-R541 VanDerWaalsContact C-N 3.26Å; K539-R541 PolarHBondContact O-N 2.94Å
542	R	43.9	Very low	56.7	Low	227 Å²	227	125.5 Å²	125.5	86%	0.857	60%	0.6	S	S	*	*			trans	56.5	87.3	176.6	-163.9	-177	-163.3	98.7	-7	112.1	R540 E544	R540-R542 VanDerWaalsContact C-N 3.26Å; R540-R542 PolarHBondContact O-N 2.8Å; R542-E544 PolarHBondContact O-N 3.01Å
543	E	47.6	Very low	58.5	Low	78 Å²	78	121.9 Å²	121.9	36%	0.364	59%	0.59	S	S	.	*			trans	-55.7	110.4	165.7	-69.5	-161.7	126.5	0	0	108.4	R540 K545 R556	R540-E543 HydrophobicContact CG-CG 4.19Å; R540-E543 IonicContact CZ-OE1 3.43Å; R540-E543 IonicContact NE-OE1 2.91Å; R540-E543 PolarHBondContact NE-OE1 2.84Å; R540-E543 IonicContact NE-OE2 2.87Å; R540-E543 IonicContact NH2-OE1 3.89Å; R540-E543 PolarHBondContact NH2-OE1 2.91Å; E543-K545 PolarHBondContact O-N 3Å; E543-R556 IonicContact OE1-NH2 2.97Å; E543-R556 IonicContact OE2-CZ 3.66Å; E543-R556 IonicContact OE2-NE 2.7Å; E543-R556 PolarHBondContact OE2-NE 3.49Å; E543-R556 IonicContact OE2-NH2 3.54Å; E543-R556 PolarHBondContact OE2-NH2 3.19Å
544	E	54.3	Low	60.5	Low	167 Å²	167	120.4 Å²	120.4	78%	0.78	58%	0.579	S	S	*	*			trans	-71.7	98.3	-179.3	-173.6	174.1	-174.1	0	0	108.4	R542 L546	R542-E544 PolarHBondContact O-N 3.01Å; E544-L546 PolarHBondContact O-N 3.32Å
545	K	58	Low	62.4	Low	138 Å²	138	116.1 Å²	116.1	60%	0.6	56%	0.557	S	S	*	*			trans	-63.4	108.3	-179.8	-54.7	-172.2	-177.5	-174.3	0	108.9	E543 K547 S554 F555	E543-K545 PolarHBondContact O-N 3Å; K545-K547 PolarHBondContact O-N 2.95Å; K545-K547 VanDerWaalsContact O-N 3.14Å; K545-S554 WeakPolarHBondContact CD-OG 3.27Å; K545-F555 CarbonylContact C-O 3.56Å; K545-F555 WeakPolarHBondContact CA-O 3.44Å
546	L	73.9	Confident	64.4	Low	49 Å²	49	118.5 Å²	118.5	26%	0.257	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-65.6	111.2	178.8	-63.4	171.6	0	0	0	108.4	E544 F555 R558 L561	E544-L546 PolarHBondContact O-N 3.32Å; L546-F555 PolarHBondContact N-O 3Å; L546-F555 WeakPolarHBondContact O-CB 3.38Å; L546-F555 PolarHBondContact O-N 3.3Å; L546-R558 HydrophobicContact CD1-CB 3.68Å; L546-R558 HydrophobicContact CD1-CG 4.18Å; L546-L561 HydrophobicContact CB-CD2 3.76Å
547	K	83.9	Confident	66.2	Low	124 Å²	124	118 Å²	118	54%	0.539	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	146.3	-177.1	-65.2	-166.5	179.2	-171.2	0	112.2	K545 E553	K545-K547 PolarHBondContact O-N 2.95Å; K545-K547 VanDerWaalsContact O-N 3.14Å; K547-E553 CarbonylContact C-O 3.59Å; K547-E553 VanDerWaalsContact CA-O 3.27Å; K547-E553 WeakPolarHBondContact CA-O 3.46Å
548	C	82.1	Confident	67.6	Low	0 Å²	0	122 Å²	122	0%	0	56%	0.556	C	S	.	*			trans	-71.1	125.1	164	-178.8	0	0	0	0	109.8	I550 C551 N552 E553 F555 L561 H564	C548-I550 PolarHBondContact O-N 3.29Å; C548-C551 VanDerWaalsContact SG-SG 3.7Å; C548-N552 WeakPolarHBondContact O-CA 3.18Å; C548-N552 PolarHBondContact O-N 3.46Å; C548-E553 PolarHBondContact N-O 3.14Å; C548-F555 HydrophobicContact CB-CE2 4.15Å; C548-L561 HydrophobicContact CB-CD1 3.81Å; C548-H564 WeakPolarHBondContact CB-NE2 3.48Å; C548-H564 VanDerWaalsContact SG-CD2 3.56Å; C548-H564 PolarHBondContact SG-NE2 3.35Å
549	P	79.9	Confident	69.5	Low	99 Å²	99	121.1 Å²	121.1	64%	0.643	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.6	179.7	28.9	-34.6	0	0	0	113.4	M565	P549-M565 HydrophobicContact CG-CE 4.1Å; P549-M565 HydrophobicContact CG-SD 4.26Å
550	I	81.4	Confident	71.7	Confident	105 Å²	105	115.4 Å²	115.4	54%	0.538	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-47.5	-176.2	-55.5	174.8	0	0	0	111.2	C548 M565 H568	C548-I550 PolarHBondContact O-N 3.29Å; I550-M565 HydrophobicContact CD1-CE 3.57Å; I550-M565 HydrophobicContact CG1-CE 4.02Å; I550-H568 HydrophobicContact CD1-CB 3.56Å
551	C	86.3	Confident	73.9	Confident	54 Å²	54	108.5 Å²	108.5	37%	0.365	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-0.1	-176.9	66.6	0	0	0	0	115.1	C548 E553 H564	C548-C551 VanDerWaalsContact SG-SG 3.7Å; C551-E553 PolarHBondContact O-N 3.4Å; C551-E553 VanDerWaalsContact O-N 3.12Å; C551-H564 VanDerWaalsContact SG-CE1 3.57Å; C551-H564 PolarHBondContact SG-NE2 3.29Å
552	N	80.3	Confident	75.9	Confident	104 Å²	104	100.6 Å²	100.6	56%	0.556	48%	0.476	S	S	*	.			trans	61.8	6.7	-177.5	-78.1	-72.5	0	0	0	117.4	C548	C548-N552 WeakPolarHBondContact O-CA 3.18Å; C548-N552 PolarHBondContact O-N 3.46Å
553	E	83.1	Confident	78	Confident	106 Å²	106	97 Å²	97	50%	0.495	46%	0.462	S	S	.	.			trans	-57.2	140.3	170.6	-72.5	-165.5	146.8	0	0	111.6	K547 C548 C551 F555 H564	K547-E553 CarbonylContact C-O 3.59Å; K547-E553 VanDerWaalsContact CA-O 3.27Å; K547-E553 WeakPolarHBondContact CA-O 3.46Å; C548-E553 PolarHBondContact N-O 3.14Å; C551-E553 PolarHBondContact O-N 3.4Å; C551-E553 VanDerWaalsContact O-N 3.12Å; E553-F555 HydrophobicContact CB-CE2 3.72Å; E553-F555 HydrophobicContact CB-CZ 3.84Å; E553-F555 WeakPolarHBondContact O-CE2 3.34Å; E553-H564 IonicContact OE2-CE1 3.58Å; E553-H564 PolarHBondContact OE2-CE1 3.23Å; E553-H564 IonicContact OE2-ND1 2.7Å; E553-H564 PolarHBondContact OE2-ND1 3.18Å; E553-H564 IonicContact OE2-NE2 3.48Å
554	S	83.8	Confident	80	Confident	57 Å²	57	94.6 Å²	94.6	40%	0.399	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.3	-168.6	78	0	0	0	0	112.4	K545	K545-S554 WeakPolarHBondContact CD-OG 3.27Å
555	F	79.3	Confident	81.5	Confident	40 Å²	40	89.6 Å²	89.6	18%	0.175	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	147.2	-177	-59.3	-85.3	0	0	0	111.5	K545 L546 C548 E553 H560 L561 H564	K545-F555 CarbonylContact C-O 3.56Å; K545-F555 WeakPolarHBondContact CA-O 3.44Å; L546-F555 PolarHBondContact N-O 3Å; L546-F555 WeakPolarHBondContact O-CB 3.38Å; L546-F555 PolarHBondContact O-N 3.3Å; C548-F555 HydrophobicContact CB-CE2 4.15Å; E553-F555 HydrophobicContact CB-CE2 3.72Å; E553-F555 HydrophobicContact CB-CZ 3.84Å; E553-F555 WeakPolarHBondContact O-CE2 3.34Å; F555-H560 HydrophobicContact CB-CB 4.48Å; F555-H560 HydrophobicContact CD1-CB 3.94Å; F555-L561 HydrophobicContact CB-CB 4.02Å; F555-L561 HydrophobicContact CD2-CB 3.93Å; F555-L561 HydrophobicContact CD2-CD1 3.79Å; F555-L561 HydrophobicContact CD2-CG 4.42Å; F555-L561 HydrophobicContact CE2-CD1 4.12Å; F555-L561 HydrophobicContact CG-CB 4.05Å; F555-H564 HydrophobicContact CE1-CB 4.06Å; F555-H564 HydrophobicContact CE2-CB 4.16Å; F555-H564 AromaticContact CE2-CD2 3.67Å; F555-H564 AromaticContact CE2-CG 3.75Å; F555-H564 HydrophobicContact CZ-CB 3.7Å; F555-H564 AromaticContact CZ-CD2 3.74Å; F555-H564 AromaticContact CZ-CE1 3.84Å; F555-H564 AromaticContact CZ-CG 3.35Å; F555-H564 AromaticContact CZ-ND1 3.44Å; F555-H564 WeakPolarHBondContact CZ-ND1 3.46Å
556	R	80.5	Confident	82.7	Confident	165 Å²	165	87.4 Å²	87.4	62%	0.623	43%	0.427	S	S	*	.	S	Bend	trans	-85.2	-22.7	179.4	-163.8	175.7	-175.7	-158.9	-2.2	113.1	E543	E543-R556 IonicContact OE1-NH2 2.97Å; E543-R556 IonicContact OE2-CZ 3.66Å; E543-R556 IonicContact OE2-NE 2.7Å; E543-R556 PolarHBondContact OE2-NE 3.49Å; E543-R556 IonicContact OE2-NH2 3.54Å; E543-R556 PolarHBondContact OE2-NH2 3.19Å
557	E	79.3	Confident	82.9	Confident	111 Å²	111	89.1 Å²	89.1	52%	0.519	44%	0.443	S	S	.	.	S	Bend	trans	-136.5	143.1	-174.5	-63	-176.2	-162.6	0	0	111.3	H559 H560 L561	E557-H559 VanDerWaalsContact C-N 3.3Å; E557-H559 PolarHBondContact O-N 3.44Å; E557-H560 PolarHBondContact O-N 3.33Å; E557-L561 PolarHBondContact O-N 2.93Å
558	R	76.9	Confident	82.8	Confident	195 Å²	195	86.6 Å²	86.6	74%	0.736	43%	0.433	S	S	*	.	H	α-helix	trans	-62	-35	-173.8	-170.5	179.5	-70.6	-132.2	0.3	113	L546 H560 L561 S562	L546-R558 HydrophobicContact CD1-CB 3.68Å; L546-R558 HydrophobicContact CD1-CG 4.18Å; R558-H560 PolarHBondContact O-N 3.4Å; R558-L561 PolarHBondContact O-N 2.84Å; R558-S562 WeakPolarHBondContact O-CB 3.17Å; R558-S562 PolarHBondContact O-N 2.82Å
559	H	84.5	Confident	81.6	Confident	117 Å²	117	96.5 Å²	96.5	54%	0.542	49%	0.486	S	S	.	.	H	α-helix	trans	-62.8	-40.9	177.8	176.2	74.6	0	0	0	112.2	E557 S562 R563	E557-H559 VanDerWaalsContact C-N 3.3Å; E557-H559 PolarHBondContact O-N 3.44Å; H559-S562 PolarHBondContact O-N 3.15Å; H559-R563 PolarHBondContact NE2-NH1 3.49Å; H559-R563 PolarHBondContact O-N 2.97Å
560	H	85.2	Confident	81.7	Confident	76 Å²	76	96.4 Å²	96.4	35%	0.352	48%	0.478	S	S	.	.	H	α-helix	trans	-67.7	-42.5	178.7	-64.2	-35.3	0	0	0	112.3	F555 E557 R558 S562 R563 H564	F555-H560 HydrophobicContact CB-CB 4.48Å; F555-H560 HydrophobicContact CD1-CB 3.94Å; E557-H560 PolarHBondContact O-N 3.33Å; R558-H560 PolarHBondContact O-N 3.4Å; H560-S562 VanDerWaalsContact C-N 3.35Å; H560-S562 PolarHBondContact O-N 3.33Å; H560-R563 PolarHBondContact O-N 2.78Å; H560-H564 WeakPolarHBondContact O-CB 3.46Å; H560-H564 PolarHBondContact O-N 3.12Å
561	L	85.3	Confident	81.7	Confident	26 Å²	26	95.9 Å²	95.9	14%	0.136	48%	0.475	C	S	.	.	H	α-helix	trans	-59.6	-46	171.3	172.6	58	0	0	0	111.1	L546 C548 F555 E557 R558 R563 H564 M565	L546-L561 HydrophobicContact CB-CD2 3.76Å; C548-L561 HydrophobicContact CB-CD1 3.81Å; F555-L561 HydrophobicContact CB-CB 4.02Å; F555-L561 HydrophobicContact CD2-CB 3.93Å; F555-L561 HydrophobicContact CD2-CD1 3.79Å; F555-L561 HydrophobicContact CD2-CG 4.42Å; F555-L561 HydrophobicContact CE2-CD1 4.12Å; F555-L561 HydrophobicContact CG-CB 4.05Å; E557-L561 PolarHBondContact O-N 2.93Å; R558-L561 PolarHBondContact O-N 2.84Å; L561-R563 VanDerWaalsContact C-N 3.3Å; L561-R563 PolarHBondContact O-N 3.28Å; L561-H564 CarbonylContact O-C 3.54Å; L561-H564 PolarHBondContact O-N 2.9Å; L561-H564 VanDerWaalsContact O-N 3.15Å; L561-M565 HydrophobicContact CD1-CG 3.77Å; L561-M565 HydrophobicContact CD1-SD 4.35Å; L561-M565 HydrophobicContact CG-CG 4.17Å; L561-M565 WeakPolarHBondContact O-CG 3.43Å; L561-M565 PolarHBondContact O-N 3.12Å
562	S	84.2	Confident	81.5	Confident	74 Å²	74	98.2 Å²	98.2	52%	0.517	48%	0.481	S	S	.	.	H	α-helix	trans	-61.6	-37.4	-178.3	-158.7	0	0	0	0	112.6	R558 H559 H560 T566	R558-S562 WeakPolarHBondContact O-CB 3.17Å; R558-S562 PolarHBondContact O-N 2.82Å; H559-S562 PolarHBondContact O-N 3.15Å; H560-S562 VanDerWaalsContact C-N 3.35Å; H560-S562 PolarHBondContact O-N 3.33Å; S562-T566 PolarHBondContact O-N 2.9Å
563	R	88.5	Confident	81.5	Confident	151 Å²	151	97.9 Å²	97.9	57%	0.57	48%	0.476	S	S	*	.	H	α-helix	trans	-76.1	-27.4	176.4	-166.6	174.6	72.3	-151.9	10.4	113.3	H559 H560 L561 T566	H559-R563 PolarHBondContact NE2-NH1 3.49Å; H559-R563 PolarHBondContact O-N 2.97Å; H560-R563 PolarHBondContact O-N 2.78Å; L561-R563 VanDerWaalsContact C-N 3.3Å; L561-R563 PolarHBondContact O-N 3.28Å; R563-T566 WeakPolarHBondContact CA-OG1 3.44Å; R563-T566 PolarHBondContact O-OG1 2.97Å
564	H	89.1	Confident	81.4	Confident	29 Å²	29	97.4 Å²	97.4	13%	0.134	48%	0.475	C	S	.	.	H	α-helix	trans	-75.1	-33.7	171.1	169.4	94.1	0	0	0	111.9	C548 C551 E553 F555 H560 L561 T566 S567 H568	C548-H564 WeakPolarHBondContact CB-NE2 3.48Å; C548-H564 VanDerWaalsContact SG-CD2 3.56Å; C548-H564 PolarHBondContact SG-NE2 3.35Å; C551-H564 VanDerWaalsContact SG-CE1 3.57Å; C551-H564 PolarHBondContact SG-NE2 3.29Å; E553-H564 IonicContact OE2-CE1 3.58Å; E553-H564 PolarHBondContact OE2-CE1 3.23Å; E553-H564 IonicContact OE2-ND1 2.7Å; E553-H564 PolarHBondContact OE2-ND1 3.18Å; E553-H564 IonicContact OE2-NE2 3.48Å; F555-H564 HydrophobicContact CE1-CB 4.06Å; F555-H564 HydrophobicContact CE2-CB 4.16Å; F555-H564 AromaticContact CE2-CD2 3.67Å; F555-H564 AromaticContact CE2-CG 3.75Å; F555-H564 HydrophobicContact CZ-CB 3.7Å; F555-H564 AromaticContact CZ-CD2 3.74Å; F555-H564 AromaticContact CZ-CE1 3.84Å; F555-H564 AromaticContact CZ-CG 3.35Å; F555-H564 AromaticContact CZ-ND1 3.44Å; F555-H564 WeakPolarHBondContact CZ-ND1 3.46Å; H560-H564 WeakPolarHBondContact O-CB 3.46Å; H560-H564 PolarHBondContact O-N 3.12Å; L561-H564 CarbonylContact O-C 3.54Å; L561-H564 PolarHBondContact O-N 2.9Å; L561-H564 VanDerWaalsContact O-N 3.15Å; H564-T566 VanDerWaalsContact C-N 3.28Å; H564-T566 PolarHBondContact O-N 2.93Å; H564-S567 PolarHBondContact O-N 3.47Å; H564-S567 VanDerWaalsContact O-N 3.12Å; H564-S567 PolarHBondContact O-OG 3.22Å; H564-H568 AromaticContact CD2-NE2 3.58Å; H564-H568 AromaticContact CE1-NE2 3.47Å; H564-H568 PolarHBondContact CE1-NE2 3.15Å; H564-H568 AromaticContact NE2-CD2 3.81Å; H564-H568 AromaticContact NE2-CE1 3.95Å; H564-H568 AromaticContact NE2-NE2 2.93Å; H564-H568 PolarHBondContact NE2-NE2 2.7Å; H564-H568 PolarHBondContact O-CD2 3.43Å; H564-H568 VanDerWaalsContact O-CD2 3.22Å
565	M	85.2	Confident	81.3	Confident	62 Å²	62	100.1 Å²	100.1	31%	0.305	48%	0.48	S	S	.	.	H	α-helix	trans	-62.6	-35.6	174.2	-67.7	-115.2	59.7	0	0	111.7	P549 I550 L561 S567 H568	P549-M565 HydrophobicContact CG-CE 4.1Å; P549-M565 HydrophobicContact CG-SD 4.26Å; I550-M565 HydrophobicContact CD1-CE 3.57Å; I550-M565 HydrophobicContact CG1-CE 4.02Å; L561-M565 HydrophobicContact CD1-CG 3.77Å; L561-M565 HydrophobicContact CD1-SD 4.35Å; L561-M565 HydrophobicContact CG-CG 4.17Å; L561-M565 WeakPolarHBondContact O-CG 3.43Å; L561-M565 PolarHBondContact O-N 3.12Å; M565-S567 PolarHBondContact O-N 3.4Å; M565-H568 PolarHBondContact O-N 2.76Å
566	T	83.6	Confident	81.4	Confident	92 Å²	92	104.4 Å²	104.4	56%	0.564	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-5.1	174.7	45.8	0	0	0	0	115.2	S562 R563 H564	S562-T566 PolarHBondContact O-N 2.9Å; R563-T566 WeakPolarHBondContact CA-OG1 3.44Å; R563-T566 PolarHBondContact O-OG1 2.97Å; H564-T566 VanDerWaalsContact C-N 3.28Å; H564-T566 PolarHBondContact O-N 2.93Å
567	S	79.2	Confident	81.5	Confident	84 Å²	84	99.7 Å²	99.7	59%	0.587	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	12.1	170.4	49.4	0	0	0	0	113.9	H564 M565	H564-S567 PolarHBondContact O-N 3.47Å; H564-S567 VanDerWaalsContact O-N 3.12Å; H564-S567 PolarHBondContact O-OG 3.22Å; M565-S567 PolarHBondContact O-N 3.4Å
568	H	80.6	Confident	81.7	Confident	72 Å²	72	98.8 Å²	98.8	33%	0.333	49%	0.49	S	S	.	.			trans	-107.2	24.6	166.6	-63.7	-87.1	0	0	0	112.1	I550 H564 M565	I550-H568 HydrophobicContact CD1-CB 3.56Å; H564-H568 AromaticContact CD2-NE2 3.58Å; H564-H568 AromaticContact CE1-NE2 3.47Å; H564-H568 PolarHBondContact CE1-NE2 3.15Å; H564-H568 AromaticContact NE2-CD2 3.81Å; H564-H568 AromaticContact NE2-CE1 3.95Å; H564-H568 AromaticContact NE2-NE2 2.93Å; H564-H568 PolarHBondContact NE2-NE2 2.7Å; H564-H568 PolarHBondContact O-CD2 3.43Å; H564-H568 VanDerWaalsContact O-CD2 3.22Å; M565-H568 PolarHBondContact O-N 2.76Å
569	N	57.9	Low	82.1	Confident	207 Å²	207	90 Å²	90	100%	1.107	47%	0.468	S	S	*	.			trans	-94.3	0	167.9	-78.9	-15.9	0	0	0	109.7

Retrieved 569 of 569 residues in 225.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).