A0A077ZC61_TRITR Loading...

Oxysterol-binding protein

AlphaFold DB , UniProt , Accession A0A077ZC61, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 662 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	57.1	Low	70.9	Confident	185 Å²	185	120.7 Å²	120.7	91%	0.911	60%	0.598	S	S	*	*				0	-76.9	0	-102.7	178.5	54.1	0	0	113.9	A3 E4 E5	M1-A3 PolarHBondContact O-N 3.37Å; M1-E4 WeakPolarHBondContact CA-OE2 3.32Å; M1-E4 PolarHBondContact N-OE2 3.26Å; M1-E4 PolarHBondContact O-N 2.77Å; M1-E5 PolarHBondContact O-N 2.98Å; M1-E5 VanDerWaalsContact O-N 3.08Å
2	N	74.6	Confident	70.3	Confident	132 Å²	132	119.7 Å²	119.7	71%	0.706	60%	0.595	S	S	*	*	H	α-helix	trans	-66.3	-37.6	-170.7	-144.3	9.5	0	0	0	113.7	Q6	N2-Q6 WeakPolarHBondContact O-CB 3.47Å; N2-Q6 PolarHBondContact O-N 3.5Å
3	A	78.3	Confident	70.2	Confident	76 Å²	76	120.6 Å²	120.6	63%	0.628	60%	0.597	S	S	*	*	H	α-helix	trans	-67.6	-39.1	176	0	0	0	0	0	113	M1 Q6 Q7	M1-A3 PolarHBondContact O-N 3.37Å; A3-Q6 PolarHBondContact O-N 3.17Å; A3-Q7 WeakPolarHBondContact O-CB 3.43Å; A3-Q7 PolarHBondContact O-N 3.08Å
4	E	76.3	Confident	70.1	Confident	131 Å²	131	126.4 Å²	126.4	61%	0.612	61%	0.609	S	S	*	*	H	α-helix	trans	-68.6	-39.1	179.1	-68.4	161.9	138.8	0	0	111.6	M1 Q7 L8	M1-E4 WeakPolarHBondContact CA-OE2 3.32Å; M1-E4 PolarHBondContact N-OE2 3.26Å; M1-E4 PolarHBondContact O-N 2.77Å; E4-Q7 PolarHBondContact O-N 2.9Å; E4-L8 WeakPolarHBondContact O-CB 3.48Å; E4-L8 PolarHBondContact O-N 3.02Å
5	E	70.6	Confident	69.3	Low	94 Å²	94	121.5 Å²	121.5	44%	0.439	60%	0.597	S	S	.	*	H	α-helix	trans	-67.8	-39.1	178.3	-152.4	-169.3	146.8	0	0	111.6	M1 L8 R9	M1-E5 PolarHBondContact O-N 2.98Å; M1-E5 VanDerWaalsContact O-N 3.08Å; E5-L8 PolarHBondContact O-N 3.03Å; E5-R9 WeakPolarHBondContact O-CG 3.23Å; E5-R9 PolarHBondContact O-N 3.01Å; E5-R9 IonicContact OE1-CZ 3.05Å; E5-R9 IonicContact OE1-NE 3.88Å; E5-R9 IonicContact OE1-NH2 2.8Å; E5-R9 PolarHBondContact OE1-NH2 3.43Å
6	Q	76.5	Confident	69	Low	120 Å²	120	118.4 Å²	118.4	56%	0.561	58%	0.584	S	S	*	*	H	α-helix	trans	-65.6	-42.9	174.5	-168.5	167.2	-1.3	0	0	111.5	N2 A3 L8 R9 E10	N2-Q6 WeakPolarHBondContact O-CB 3.47Å; N2-Q6 PolarHBondContact O-N 3.5Å; A3-Q6 PolarHBondContact O-N 3.17Å; Q6-L8 VanDerWaalsContact C-N 3.33Å; Q6-L8 PolarHBondContact O-N 3.05Å; Q6-R9 PolarHBondContact O-N 3.44Å; Q6-E10 PolarHBondContact O-N 3.39Å
7	Q	74	Confident	68.9	Low	121 Å²	121	118.7 Å²	118.7	57%	0.565	59%	0.585	S	S	*	*	H	α-helix	trans	-62.6	-39	175.6	-160.6	174.6	8.9	0	0	111.8	A3 E4 E10 I11	A3-Q7 WeakPolarHBondContact O-CB 3.43Å; A3-Q7 PolarHBondContact O-N 3.08Å; E4-Q7 PolarHBondContact O-N 2.9Å; Q7-E10 PolarHBondContact O-N 3.4Å; Q7-I11 HydrophobicContact CG-CD1 4.44Å; Q7-I11 WeakPolarHBondContact O-CD1 3.43Å; Q7-I11 VanDerWaalsContact O-CG1 3.23Å; Q7-I11 WeakPolarHBondContact O-CG1 3.4Å; Q7-I11 PolarHBondContact O-N 3.23Å
8	L	63.7	Low	68.6	Low	99 Å²	99	119.2 Å²	119.2	52%	0.518	58%	0.584	S	S	.	*	H	α-helix	trans	-64.4	-41.6	174.8	-170.4	70.7	0	0	0	112	E4 E5 Q6 I11 L12	E4-L8 WeakPolarHBondContact O-CB 3.48Å; E4-L8 PolarHBondContact O-N 3.02Å; E5-L8 PolarHBondContact O-N 3.03Å; Q6-L8 VanDerWaalsContact C-N 3.33Å; Q6-L8 PolarHBondContact O-N 3.05Å; L8-I11 PolarHBondContact O-N 2.91Å; L8-L12 HydrophobicContact CG-CD1 4.37Å; L8-L12 WeakPolarHBondContact O-CG 3.33Å; L8-L12 PolarHBondContact O-N 3.42Å
9	R	69.9	Low	68.1	Low	153 Å²	153	118.5 Å²	118.5	58%	0.577	58%	0.579	S	S	*	*	H	α-helix	trans	-62.9	-43	176.1	-73.3	175	-171.3	-96.3	-1.8	112	E5 Q6 L12 Q13	E5-R9 WeakPolarHBondContact O-CG 3.23Å; E5-R9 PolarHBondContact O-N 3.01Å; E5-R9 IonicContact OE1-CZ 3.05Å; E5-R9 IonicContact OE1-NE 3.88Å; E5-R9 IonicContact OE1-NH2 2.8Å; E5-R9 PolarHBondContact OE1-NH2 3.43Å; Q6-R9 PolarHBondContact O-N 3.44Å; R9-L12 PolarHBondContact O-N 2.91Å; R9-Q13 WeakPolarHBondContact O-CG 3.49Å; R9-Q13 PolarHBondContact O-N 3.34Å
10	E	70.8	Confident	68.2	Low	116 Å²	116	118.1 Å²	118.1	54%	0.542	57%	0.574	S	S	.	*	H	α-helix	trans	-63	-41.3	175.6	-74.4	179.5	-175.5	0	0	111.9	Q6 Q7 Q13 R14	Q6-E10 PolarHBondContact O-N 3.39Å; Q7-E10 PolarHBondContact O-N 3.4Å; E10-Q13 PolarHBondContact O-N 2.94Å; E10-R14 WeakPolarHBondContact O-CB 3.35Å; E10-R14 PolarHBondContact O-N 3.33Å
11	I	67.9	Low	68.3	Low	101 Å²	101	117 Å²	117	52%	0.518	57%	0.571	S	S	.	*	H	α-helix	trans	-61.8	-45.3	175.1	-69.7	165	0	0	0	110.9	Q7 L8 R14 A15	Q7-I11 HydrophobicContact CG-CD1 4.44Å; Q7-I11 WeakPolarHBondContact O-CD1 3.43Å; Q7-I11 VanDerWaalsContact O-CG1 3.23Å; Q7-I11 WeakPolarHBondContact O-CG1 3.4Å; Q7-I11 PolarHBondContact O-N 3.23Å; L8-I11 PolarHBondContact O-N 2.91Å; I11-R14 PolarHBondContact O-N 3.29Å; I11-A15 WeakPolarHBondContact O-CB 3.39Å; I11-A15 PolarHBondContact O-N 3.42Å
12	L	64.3	Low	68.9	Low	108 Å²	108	113 Å²	113	57%	0.565	55%	0.55	S	S	*	.	H	α-helix	trans	-64.4	-41.6	178.1	-72.6	170.2	0	0	0	112.3	L8 R9 R14 A15 D16	L8-L12 HydrophobicContact CG-CD1 4.37Å; L8-L12 WeakPolarHBondContact O-CG 3.33Å; L8-L12 PolarHBondContact O-N 3.42Å; R9-L12 PolarHBondContact O-N 2.91Å; L12-R14 VanDerWaalsContact C-N 3.33Å; L12-A15 PolarHBondContact O-N 2.92Å; L12-D16 WeakPolarHBondContact O-CB 3.31Å; L12-D16 PolarHBondContact O-N 2.92Å
13	Q	69.2	Low	68.6	Low	132 Å²	132	111.8 Å²	111.8	62%	0.617	54%	0.54	S	S	*	.	H	α-helix	trans	-62.9	-41.4	174.4	-76.4	-179.8	-4.4	0	0	111.7	R9 E10 A15 D16 M17	R9-Q13 WeakPolarHBondContact O-CG 3.49Å; R9-Q13 PolarHBondContact O-N 3.34Å; E10-Q13 PolarHBondContact O-N 2.94Å; Q13-A15 VanDerWaalsContact C-N 3.35Å; Q13-D16 PolarHBondContact O-N 3.33Å; Q13-M17 WeakPolarHBondContact O-CB 3.4Å; Q13-M17 WeakPolarHBondContact O-CG 3.49Å; Q13-M17 PolarHBondContact O-N 2.84Å
14	R	68	Low	68.2	Low	202 Å²	202	111.5 Å²	111.5	76%	0.762	53%	0.527	S	S	*	.	H	α-helix	trans	-68	-36.2	177.4	-164.4	172.5	-174.8	171.6	1	111.8	E10 I11 L12 F18	E10-R14 WeakPolarHBondContact O-CB 3.35Å; E10-R14 PolarHBondContact O-N 3.33Å; I11-R14 PolarHBondContact O-N 3.29Å; L12-R14 VanDerWaalsContact C-N 3.33Å; R14-F18 VanDerWaalsContact O-CB 3.31Å; R14-F18 WeakPolarHBondContact O-CB 3.38Å; R14-F18 PolarHBondContact O-N 2.93Å
15	A	58.5	Low	68.2	Low	52 Å²	52	109.7 Å²	109.7	43%	0.43	52%	0.522	S	S	.	.	H	α-helix	trans	-65.1	-44.9	173.4	0	0	0	0	0	111.7	I11 L12 Q13 F18 Q19	I11-A15 WeakPolarHBondContact O-CB 3.39Å; I11-A15 PolarHBondContact O-N 3.42Å; L12-A15 PolarHBondContact O-N 2.92Å; Q13-A15 VanDerWaalsContact C-N 3.35Å; A15-F18 PolarHBondContact O-N 2.93Å; A15-Q19 WeakPolarHBondContact O-CB 3.31Å; A15-Q19 PolarHBondContact O-N 2.85Å
16	D	64	Low	68.4	Low	73 Å²	73	109.6 Å²	109.6	39%	0.39	52%	0.524	S	S	.	.	H	α-helix	trans	-63	-42	175.6	179.8	60.9	0	0	0	111.9	L12 Q13 Q19 K20	L12-D16 WeakPolarHBondContact O-CB 3.31Å; L12-D16 PolarHBondContact O-N 2.92Å; Q13-D16 PolarHBondContact O-N 3.33Å; D16-Q19 PolarHBondContact O-N 2.68Å; D16-K20 WeakPolarHBondContact O-CB 3.2Å; D16-K20 VanDerWaalsContact O-CG 3.31Å; D16-K20 WeakPolarHBondContact O-CG 3.38Å; D16-K20 PolarHBondContact O-N 3.23Å; D16-K20 IonicContact OD1-NZ 2.68Å; D16-K20 WeakPolarHBondContact OD2-CE 3.48Å; D16-K20 IonicContact OD2-NZ 3.79Å; D16-K20 PolarHBondContact OD2-NZ 3.3Å
17	M	67.2	Low	68.5	Low	123 Å²	123	106.6 Å²	106.6	61%	0.606	51%	0.51	S	S	*	.	H	α-helix	trans	-60.4	-44	172.6	-75.5	-91.1	-68.4	0	0	112.1	Q13 K20 L21	Q13-M17 WeakPolarHBondContact O-CB 3.4Å; Q13-M17 WeakPolarHBondContact O-CG 3.49Å; Q13-M17 PolarHBondContact O-N 2.84Å; M17-K20 PolarHBondContact O-N 3.01Å; M17-L21 WeakPolarHBondContact O-CB 3.45Å; M17-L21 WeakPolarHBondContact O-CG 3.38Å; M17-L21 PolarHBondContact O-N 3.47Å
18	F	64	Low	68.8	Low	128 Å²	128	105.5 Å²	105.5	56%	0.561	50%	0.501	S	S	*	.	H	α-helix	trans	-65.9	-44.1	178.9	-168.5	-98.1	0	0	0	111.3	R14 A15 K20 L21 E22	R14-F18 VanDerWaalsContact O-CB 3.31Å; R14-F18 WeakPolarHBondContact O-CB 3.38Å; R14-F18 PolarHBondContact O-N 2.93Å; A15-F18 PolarHBondContact O-N 2.93Å; F18-K20 PolarHBondContact O-N 2.89Å; F18-L21 WeakPolarHBondContact O-CB 3.38Å; F18-L21 PolarHBondContact O-N 3.38Å; F18-E22 HydrophobicContact CD1-CG 4.19Å; F18-E22 VanDerWaalsContact CE1-CD 3.47Å; F18-E22 HydrophobicContact CE1-CG 3.95Å; F18-E22 WeakPolarHBondContact CE1-OE1 3.34Å; F18-E22 HydrophobicContact CZ-CG 4.47Å; F18-E22 PolarHBondContact O-N 3.44Å
19	Q	59.4	Low	69.7	Low	105 Å²	105	105.8 Å²	105.8	49%	0.491	50%	0.5	S	S	.	.	H	α-helix	trans	-61.4	-43.5	175.7	-174.1	177.6	-7.8	0	0	111.8	A15 D16 L21 E22 E23	A15-Q19 WeakPolarHBondContact O-CB 3.31Å; A15-Q19 PolarHBondContact O-N 2.85Å; D16-Q19 PolarHBondContact O-N 2.68Å; Q19-L21 VanDerWaalsContact C-N 3.32Å; Q19-L21 PolarHBondContact O-N 2.86Å; Q19-E22 PolarHBondContact O-N 3.21Å; Q19-E23 PolarHBondContact NE2-OE1 3.3Å; Q19-E23 WeakPolarHBondContact O-CB 3.42Å; Q19-E23 WeakPolarHBondContact O-CG 3.1Å; Q19-E23 PolarHBondContact O-N 3.47Å
20	K	69.4	Low	70.6	Confident	111 Å²	111	103.2 Å²	103.2	48%	0.483	50%	0.503	S	S	.	.	H	α-helix	trans	-62.5	-38.3	175.3	-77.1	170.2	178.3	163.2	0	112.7	D16 M17 F18 L24	D16-K20 WeakPolarHBondContact O-CB 3.2Å; D16-K20 VanDerWaalsContact O-CG 3.31Å; D16-K20 WeakPolarHBondContact O-CG 3.38Å; D16-K20 PolarHBondContact O-N 3.23Å; D16-K20 IonicContact OD1-NZ 2.68Å; D16-K20 WeakPolarHBondContact OD2-CE 3.48Å; D16-K20 IonicContact OD2-NZ 3.79Å; D16-K20 PolarHBondContact OD2-NZ 3.3Å; M17-K20 PolarHBondContact O-N 3.01Å; F18-K20 PolarHBondContact O-N 2.89Å; K20-L24 WeakPolarHBondContact O-CB 3.41Å; K20-L24 PolarHBondContact O-N 3.25Å
21	L	69.5	Low	71.6	Confident	96 Å²	96	98.5 Å²	98.5	50%	0.503	48%	0.481	S	S	.	.	H	α-helix	trans	-66.1	-45.5	175	-79.5	162.7	0	0	0	111.2	M17 F18 Q19 E23 L24 D25	M17-L21 WeakPolarHBondContact O-CB 3.45Å; M17-L21 WeakPolarHBondContact O-CG 3.38Å; M17-L21 PolarHBondContact O-N 3.47Å; F18-L21 WeakPolarHBondContact O-CB 3.38Å; F18-L21 PolarHBondContact O-N 3.38Å; Q19-L21 VanDerWaalsContact C-N 3.32Å; Q19-L21 PolarHBondContact O-N 2.86Å; L21-E23 PolarHBondContact O-N 3.28Å; L21-L24 PolarHBondContact O-N 3.48Å; L21-D25 WeakPolarHBondContact O-CB 3.5Å; L21-D25 PolarHBondContact O-N 3.44Å
22	E	69.6	Low	72.8	Confident	101 Å²	101	98.1 Å²	98.1	47%	0.472	48%	0.477	S	S	.	.	H	α-helix	trans	-60.1	-44	175	-75.5	-172	151.6	0	0	112	F18 Q19 D25 L26	F18-E22 HydrophobicContact CD1-CG 4.19Å; F18-E22 VanDerWaalsContact CE1-CD 3.47Å; F18-E22 HydrophobicContact CE1-CG 3.95Å; F18-E22 WeakPolarHBondContact CE1-OE1 3.34Å; F18-E22 HydrophobicContact CZ-CG 4.47Å; F18-E22 PolarHBondContact O-N 3.44Å; Q19-E22 PolarHBondContact O-N 3.21Å; E22-D25 PolarHBondContact O-N 3.21Å; E22-L26 WeakPolarHBondContact O-CB 3.48Å; E22-L26 WeakPolarHBondContact O-CD1 3.4Å; E22-L26 PolarHBondContact O-N 2.99Å
23	E	68.6	Low	74.2	Confident	106 Å²	106	93.6 Å²	93.6	50%	0.495	46%	0.457	S	S	.	.	H	α-helix	trans	-61.8	-43.5	175.8	-76.6	179.7	-170.2	0	0	111.8	Q19 L21 L26 M27	Q19-E23 PolarHBondContact NE2-OE1 3.3Å; Q19-E23 WeakPolarHBondContact O-CB 3.42Å; Q19-E23 WeakPolarHBondContact O-CG 3.1Å; Q19-E23 PolarHBondContact O-N 3.47Å; L21-E23 PolarHBondContact O-N 3.28Å; E23-L26 WeakPolarHBondContact O-CB 3.29Å; E23-L26 PolarHBondContact O-N 2.88Å; E23-M27 WeakPolarHBondContact O-CG 3.42Å; E23-M27 PolarHBondContact O-N 2.86Å
24	L	69.8	Low	75.3	Confident	70 Å²	70	91.1 Å²	91.1	37%	0.366	45%	0.446	S	S	.	.	H	α-helix	trans	-62.7	-42.1	174.8	-103.4	152.5	0	0	0	112.3	K20 L21 M27 R28	K20-L24 WeakPolarHBondContact O-CB 3.41Å; K20-L24 PolarHBondContact O-N 3.25Å; L21-L24 PolarHBondContact O-N 3.48Å; L24-M27 PolarHBondContact O-N 3.48Å; L24-R28 VanDerWaalsContact O-CG 3.3Å; L24-R28 WeakPolarHBondContact O-CG 3.3Å; L24-R28 PolarHBondContact O-N 2.92Å
25	D	76.8	Confident	76.7	Confident	93 Å²	93	81.6 Å²	81.6	50%	0.497	41%	0.41	S	S	.	.	H	α-helix	trans	-67.8	-38.9	178.2	-79.9	-11	0	0	0	111.5	L21 E22 R28 Q29	L21-D25 WeakPolarHBondContact O-CB 3.5Å; L21-D25 PolarHBondContact O-N 3.44Å; E22-D25 PolarHBondContact O-N 3.21Å; D25-R28 CarbonylContact O-C 3.47Å; D25-R28 PolarHBondContact O-N 3.1Å; D25-R28 VanDerWaalsContact O-N 3.15Å; D25-Q29 WeakPolarHBondContact O-CG 3.5Å; D25-Q29 PolarHBondContact O-N 2.74Å
26	L	75.5	Confident	78.5	Confident	92 Å²	92	82.1 Å²	82.1	48%	0.482	41%	0.405	S	S	.	.	H	α-helix	trans	-59.6	-44.4	170.1	-91.5	150.8	0	0	0	112	E22 E23 R28 Q29	E22-L26 WeakPolarHBondContact O-CB 3.48Å; E22-L26 WeakPolarHBondContact O-CD1 3.4Å; E22-L26 PolarHBondContact O-N 2.99Å; E23-L26 WeakPolarHBondContact O-CB 3.29Å; E23-L26 PolarHBondContact O-N 2.88Å; L26-R28 PolarHBondContact O-N 3.38Å; L26-Q29 WeakPolarHBondContact O-CB 3.21Å; L26-Q29 PolarHBondContact O-N 3.42Å; L26-Q29 VanDerWaalsContact O-N 3.16Å
27	M	77.9	Confident	79.9	Confident	56 Å²	56	79.6 Å²	79.6	28%	0.276	39%	0.39	S	S	.	.	H	α-helix	trans	-65.4	-22.5	176.6	-70.5	-65.6	-154.7	0	0	113.1	E23 L24 N118 R119 T122	E23-M27 WeakPolarHBondContact O-CG 3.42Å; E23-M27 PolarHBondContact O-N 2.86Å; L24-M27 PolarHBondContact O-N 3.48Å; M27-N118 HydrophobicContact CE-CB 3.56Å; M27-N118 HydrophobicContact SD-CB 4.2Å; M27-R119 HydrophobicContact SD-CG 3.75Å; M27-T122 HydrophobicContact CB-CG2 4.23Å
28	R	80.2	Confident	80.8	Confident	99 Å²	99	76.5 Å²	76.5	37%	0.374	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	1.5	176.8	-73.9	173	172.4	155.1	4.7	114	L24 D25 L26 P54 D126	L24-R28 VanDerWaalsContact O-CG 3.3Å; L24-R28 WeakPolarHBondContact O-CG 3.3Å; L24-R28 PolarHBondContact O-N 2.92Å; D25-R28 CarbonylContact O-C 3.47Å; D25-R28 PolarHBondContact O-N 3.1Å; D25-R28 VanDerWaalsContact O-N 3.15Å; L26-R28 PolarHBondContact O-N 3.38Å; R28-P54 WeakPolarHBondContact O-CB 3.07Å; R28-P54 WeakPolarHBondContact O-CG 3.46Å; R28-D126 IonicContact CZ-OD2 3.9Å; R28-D126 IonicContact NE-OD2 2.71Å; R28-D126 PolarHBondContact NE-OD2 2.98Å; R28-D126 IonicContact NH2-OD1 2.65Å; R28-D126 IonicContact NH2-OD2 3.8Å; R28-D126 PolarHBondContact NH2-OD2 3.28Å; R28-D126 VanDerWaalsContact NH2-OD2 3.09Å
29	Q	83.7	Confident	81.5	Confident	104 Å²	104	72.1 Å²	72.1	49%	0.486	36%	0.358	S	S	.	.	S	Bend	trans	-77	145.6	172.3	-66	-173.1	1.9	0	0	111.3	D25 L26 L31 R119	D25-Q29 WeakPolarHBondContact O-CG 3.5Å; D25-Q29 PolarHBondContact O-N 2.74Å; L26-Q29 WeakPolarHBondContact O-CB 3.21Å; L26-Q29 PolarHBondContact O-N 3.42Å; L26-Q29 VanDerWaalsContact O-N 3.16Å; Q29-L31 PolarHBondContact O-N 3.45Å; Q29-R119 PolarHBondContact O-NH1 3.45Å
30	P	87.4	Confident	82.1	Confident	99 Å²	99	70.2 Å²	70.2	64%	0.643	35%	0.351	S	S	*	.			trans	-51.5	136.8	170.9	-24.3	33.4	0	0	0	111.2	P54	P30-P54 HydrophobicContact CG-CG 4.2Å
31	L	92.9	Very high	81.8	Confident	18 Å²	18	69.7 Å²	69.7	9%	0.094	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.1	175.8	179.7	65.8	0	0	0	108.6	Q29 L52 E115 W116 R119	Q29-L31 PolarHBondContact O-N 3.45Å; L31-L52 HydrophobicContact CB-CB 4.19Å; L31-L52 HydrophobicContact CB-CD2 4.34Å; L31-L52 PolarHBondContact N-O 3.14Å; L31-L52 WeakPolarHBondContact O-CB 3.48Å; L31-L52 PolarHBondContact O-N 3.25Å; L31-E115 HydrophobicContact CD2-CG 4.33Å; L31-W116 HydrophobicContact CD2-CD2 3.58Å; L31-W116 HydrophobicContact CD2-CE3 3.81Å; L31-W116 HydrophobicContact CD2-CG 4.01Å; L31-W116 HydrophobicContact CD2-CH2 4.25Å; L31-W116 HydrophobicContact CD2-CZ2 4.05Å; L31-W116 HydrophobicContact CD2-CZ3 4.15Å; L31-W116 HydrophobicContact CG-CD2 4.4Å; L31-W116 HydrophobicContact CG-CH2 4.13Å; L31-W116 HydrophobicContact CG-CZ2 3.97Å; L31-W116 HydrophobicContact CG-CZ3 4.42Å; L31-R119 HydrophobicContact CD2-CG 4.49Å
32	E	92.9	Very high	81.2	Confident	92 Å²	92	73 Å²	73	43%	0.43	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.3	172.6	60.2	171.6	-141.6	0	0	111.5	W49 C50 V51 K68	E32-W49 HydrophobicContact CB-CZ2 4.41Å; E32-W49 HydrophobicContact CG-CZ2 4.21Å; E32-C50 CarbonylContact C-O 3.56Å; E32-C50 WeakPolarHBondContact CA-O 3.27Å; E32-C50 WeakPolarHBondContact CB-O 3.22Å; E32-V51 HydrophobicContact CB-CB 4.46Å; E32-V51 HydrophobicContact CB-CG1 4.48Å; E32-V51 HydrophobicContact CB-CG2 4.06Å; E32-K68 IonicContact OE1-NZ 3.31Å; E32-K68 PolarHBondContact OE1-NZ 2.9Å; E32-K68 WeakPolarHBondContact OE2-CE 3.46Å; E32-K68 IonicContact OE2-NZ 3.73Å; E32-K68 PolarHBondContact OE2-NZ 3.24Å
33	G	92.4	Very high	81.3	Confident	14 Å²	14	73.5 Å²	73.5	14%	0.144	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.5	171.1	179.8	0	0	0	0	0	112.2	C50	G33-C50 PolarHBondContact N-O 3.29Å; G33-C50 PolarHBondContact O-N 2.93Å
34	Q	94	Very high	81.8	Confident	80 Å²	80	69.2 Å²	69.2	37%	0.374	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.9	177.8	-173.6	168.8	-14	0	0	110.4	N47 W49	Q34-N47 PolarHBondContact NE2-OD1 2.9Å; Q34-W49 HydrophobicContact CB-CE3 3.97Å; Q34-W49 HydrophobicContact CB-CZ3 4Å
35	L	96.7	Very high	82.8	Confident	2 Å²	2	69 Å²	69	1%	0.01	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	150.1	171.4	-64	177.2	0	0	0	109.8	R48 C50 F93 F105 A107 W116	L35-R48 PolarHBondContact N-O 3.07Å; L35-R48 PolarHBondContact O-N 2.96Å; L35-R48 VanDerWaalsContact O-O 3.06Å; L35-C50 HydrophobicContact CD1-CB 3.96Å; L35-C50 HydrophobicContact CG-CB 4.34Å; L35-F93 HydrophobicContact CD1-CZ 3.97Å; L35-F105 HydrophobicContact CB-CD1 4.14Å; L35-F105 HydrophobicContact CD1-CB 4.2Å; L35-F105 HydrophobicContact CD1-CD1 4.04Å; L35-F105 HydrophobicContact CD1-CG 4.29Å; L35-A107 HydrophobicContact CD2-CB 4.15Å; L35-W116 HydrophobicContact CD1-CD2 3.9Å; L35-W116 HydrophobicContact CD1-CE3 4.16Å; L35-W116 HydrophobicContact CD1-CG 4.42Å; L35-W116 HydrophobicContact CD1-CH2 4.29Å; L35-W116 HydrophobicContact CD1-CZ2 4.03Å; L35-W116 HydrophobicContact CD1-CZ3 4.34Å; L35-W116 HydrophobicContact CD2-CG 4.48Å; L35-W116 HydrophobicContact CG-CZ2 4.26Å
36	L	96.1	Very high	83.4	Confident	62 Å²	62	68.1 Å²	68.1	33%	0.325	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	118.9	165.8	-77.5	169	0	0	0	108.2	W45 N47 F105 K106	L36-W45 HydrophobicContact CB-CB 4.44Å; L36-W45 HydrophobicContact CB-CE3 4Å; L36-W45 HydrophobicContact CD2-CB 4.34Å; L36-W45 WeakPolarHBondContact O-CZ3 3.37Å; L36-N47 VanDerWaalsContact CD2-OD1 3.27Å; L36-N47 WeakPolarHBondContact CD2-OD1 3.47Å; L36-F105 CarbonylContact O-C 3.51Å; L36-F105 VanDerWaalsContact O-CA 3.24Å; L36-F105 WeakPolarHBondContact O-CA 3.32Å; L36-K106 HydrophobicContact CB-CB 3.84Å; L36-K106 PolarHBondContact N-O 2.75Å; L36-K106 PolarHBondContact O-N 2.97Å
37	K	93.2	Very high	84.2	Confident	20 Å²	20	67.6 Å²	67.6	9%	0.087	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.1	174.7	-174.3	-170.8	176.7	-69.8	0	109.8	T39 Q46 R48 Y61 R104 F105	K37-T39 PolarHBondContact O-N 2.98Å; K37-Q46 PolarHBondContact N-O 3.48Å; K37-Q46 PolarHBondContact O-N 3.25Å; K37-R48 HydrophobicContact CB-CB 4.18Å; K37-R48 HydrophobicContact CB-CG 3.56Å; K37-R48 HydrophobicContact CD-CG 4.1Å; K37-R48 HydrophobicContact CG-CG 4.46Å; K37-Y61 HydrophobicContact CD-CD1 4.3Å; K37-Y61 HydrophobicContact CD-CD2 4.1Å; K37-Y61 HydrophobicContact CD-CE1 4.09Å; K37-Y61 HydrophobicContact CD-CE2 3.9Å; K37-Y61 HydrophobicContact CD-CG 4.31Å; K37-R104 WeakPolarHBondContact CA-O 3.27Å; K37-F105 HydrophobicContact CB-CD1 4.02Å; K37-F105 HydrophobicContact CB-CE1 3.93Å; K37-F105 HydrophobicContact CD-CE1 4.06Å; K37-F105 HydrophobicContact CD-CZ 4.39Å; K37-F105 HydrophobicContact CG-CD1 4.14Å; K37-F105 HydrophobicContact CG-CE1 3.74Å; K37-F105 HydrophobicContact CG-CZ 4.27Å
38	F	86.7	Confident	84.9	Confident	58 Å²	58	66.5 Å²	66.5	25%	0.254	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	130	169.3	-164.8	-100.8	0	0	0	110.1	W45 R104	F38-W45 HydrophobicContact CB-CD2 4.23Å; F38-W45 HydrophobicContact CB-CE3 3.97Å; F38-W45 HydrophobicContact CB-CH2 4.11Å; F38-W45 HydrophobicContact CB-CZ2 4.34Å; F38-W45 HydrophobicContact CB-CZ3 3.91Å; F38-W45 AromaticContact CD2-CD2 4Å; F38-W45 HydrophobicContact CD2-CD2 4Å; F38-W45 AromaticContact CD2-CE2 3.8Å; F38-W45 HydrophobicContact CD2-CG 4.22Å; F38-W45 HydrophobicContact CD2-CZ2 4.26Å; F38-W45 AromaticContact CD2-NE1 3.85Å; F38-R104 HydrophobicContact CB-CB 3.95Å; F38-R104 PolarHBondContact N-O 3.24Å
39	T	78.8	Confident	85.6	Confident	37 Å²	37	64 Å²	64	23%	0.227	34%	0.339	C	S	.	.			trans	-105	-60.9	-174.8	50.8	0	0	0	0	111.9	K37 Q43 G44 Q46	K37-T39 PolarHBondContact O-N 2.98Å; T39-Q43 VanDerWaalsContact OG1-CB 3.24Å; T39-Q43 WeakPolarHBondContact OG1-CB 3.48Å; T39-G44 PolarHBondContact N-O 3.35Å; T39-G44 PolarHBondContact OG1-O 3.14Å; T39-Q46 HydrophobicContact CG2-CB 3.82Å; T39-Q46 HydrophobicContact CG2-CG 3.8Å
40	N	71.7	Confident	86.1	Confident	65 Å²	65	59.1 Å²	59.1	35%	0.348	32%	0.316	S	S	.	.			trans	-162.9	175.8	174.5	54.8	60.2	0	0	0	109.1	I42 Q43 G44	N40-I42 PolarHBondContact O-N 3.34Å; N40-I42 WeakPolarHBondContact OD1-CB 3.24Å; N40-I42 PolarHBondContact OD1-N 3.24Å; N40-Q43 PolarHBondContact ND2-OE1 3.32Å; N40-Q43 WeakPolarHBondContact OD1-CB 3.43Å; N40-Q43 PolarHBondContact OD1-N 2.99Å; N40-G44 VanDerWaalsContact O-CA 3.29Å; N40-G44 WeakPolarHBondContact O-CA 3.12Å; N40-G44 PolarHBondContact O-N 2.67Å
41	A	63.6	Low	86.4	Confident	99 Å²	99	55.4 Å²	55.4	82%	0.818	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-26.5	-178.9	0	0	0	0	0	114.1
42	I	57.2	Low	86.5	Confident	165 Å²	165	54.5 Å²	54.5	85%	0.846	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-49.4	-177.2	-59.2	173.9	0	0	0	110.9	N40	N40-I42 PolarHBondContact O-N 3.34Å; N40-I42 WeakPolarHBondContact OD1-CB 3.24Å; N40-I42 PolarHBondContact OD1-N 3.24Å
43	Q	71.7	Confident	86.4	Confident	112 Å²	112	51.7 Å²	51.7	52%	0.523	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-21.3	-176.5	-69.3	-179.2	-31.9	0	0	112.8	T39 N40 Q46	T39-Q43 VanDerWaalsContact OG1-CB 3.24Å; T39-Q43 WeakPolarHBondContact OG1-CB 3.48Å; N40-Q43 PolarHBondContact ND2-OE1 3.32Å; N40-Q43 WeakPolarHBondContact OD1-CB 3.43Å; N40-Q43 PolarHBondContact OD1-N 2.99Å; Q43-Q46 HydrophobicContact CB-CG 4.41Å; Q43-Q46 PolarHBondContact O-NE2 3.09Å
44	G	79.5	Confident	86.3	Confident	17 Å²	17	52 Å²	52	18%	0.175	27%	0.274	C	S	.	.			trans	61.6	-137.2	178.9	0	0	0	0	0	113.7	T39 N40	T39-G44 PolarHBondContact N-O 3.35Å; T39-G44 PolarHBondContact OG1-O 3.14Å; N40-G44 VanDerWaalsContact O-CA 3.29Å; N40-G44 WeakPolarHBondContact O-CA 3.12Å; N40-G44 PolarHBondContact O-N 2.67Å
45	W	89.7	Confident	86	Confident	64 Å²	64	51.9 Å²	51.9	24%	0.242	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.6	179.2	-66.4	97.3	0	0	0	110.9	L36 F38 T92 R104 K106	L36-W45 HydrophobicContact CB-CB 4.44Å; L36-W45 HydrophobicContact CB-CE3 4Å; L36-W45 HydrophobicContact CD2-CB 4.34Å; L36-W45 WeakPolarHBondContact O-CZ3 3.37Å; F38-W45 HydrophobicContact CB-CD2 4.23Å; F38-W45 HydrophobicContact CB-CE3 3.97Å; F38-W45 HydrophobicContact CB-CH2 4.11Å; F38-W45 HydrophobicContact CB-CZ2 4.34Å; F38-W45 HydrophobicContact CB-CZ3 3.91Å; F38-W45 AromaticContact CD2-CD2 4Å; F38-W45 HydrophobicContact CD2-CD2 4Å; F38-W45 AromaticContact CD2-CE2 3.8Å; F38-W45 HydrophobicContact CD2-CG 4.22Å; F38-W45 HydrophobicContact CD2-CZ2 4.26Å; F38-W45 AromaticContact CD2-NE1 3.85Å; W45-T92 HydrophobicContact CH2-CG2 3.94Å; W45-T92 HydrophobicContact CZ2-CG2 4.49Å; W45-R104 HydrophobicContact CH2-CB 3.87Å; W45-R104 HydrophobicContact CZ3-CB 4.28Å; W45-K106 HydrophobicContact CD2-CD 3.94Å; W45-K106 HydrophobicContact CE3-CB 4.27Å; W45-K106 HydrophobicContact CE3-CD 4.04Å; W45-K106 HydrophobicContact CE3-CG 4.21Å; W45-K106 HydrophobicContact CH2-CB 4.4Å; W45-K106 HydrophobicContact CH2-CD 3.86Å; W45-K106 HydrophobicContact CH2-CG 3.68Å; W45-K106 HydrophobicContact CZ2-CD 3.76Å; W45-K106 VanDerWaalsContact CZ2-CE 3.47Å; W45-K106 HydrophobicContact CZ2-CG 4.09Å; W45-K106 HydrophobicContact CZ3-CB 3.98Å; W45-K106 HydrophobicContact CZ3-CD 4.01Å; W45-K106 HydrophobicContact CZ3-CG 3.75Å
46	Q	89.6	Confident	85.5	Confident	76 Å²	76	57.9 Å²	57.9	36%	0.355	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.1	-177.6	-65.7	-66.7	-40.6	0	0	110.2	K37 T39 Q43 R48	K37-Q46 PolarHBondContact N-O 3.48Å; K37-Q46 PolarHBondContact O-N 3.25Å; T39-Q46 HydrophobicContact CG2-CB 3.82Å; T39-Q46 HydrophobicContact CG2-CG 3.8Å; Q43-Q46 HydrophobicContact CB-CG 4.41Å; Q43-Q46 PolarHBondContact O-NE2 3.09Å; Q46-R48 PolarHBondContact O-N 3.3Å
47	N	92.6	Very high	85.2	Confident	80 Å²	80	55 Å²	55	43%	0.428	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	130.8	177.4	-75.8	-50	0	0	0	110.7	Q34 L36	Q34-N47 PolarHBondContact NE2-OD1 2.9Å; L36-N47 VanDerWaalsContact CD2-OD1 3.27Å; L36-N47 WeakPolarHBondContact CD2-OD1 3.47Å
48	R	93.3	Very high	85.2	Confident	33 Å²	33	56.2 Å²	56.2	13%	0.125	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.9	173.6	-63	-63.1	177.8	-104.4	1.4	109.4	L35 K37 Q46 C50 Y61 Y62	L35-R48 PolarHBondContact N-O 3.07Å; L35-R48 PolarHBondContact O-N 2.96Å; L35-R48 VanDerWaalsContact O-O 3.06Å; K37-R48 HydrophobicContact CB-CB 4.18Å; K37-R48 HydrophobicContact CB-CG 3.56Å; K37-R48 HydrophobicContact CD-CG 4.1Å; K37-R48 HydrophobicContact CG-CG 4.46Å; Q46-R48 PolarHBondContact O-N 3.3Å; R48-C50 PolarHBondContact O-N 3.42Å; R48-Y61 HydrophobicContact CB-CD2 4.4Å; R48-Y61 HydrophobicContact CG-CD2 4.12Å; R48-Y62 VanDerWaalsContact CA-O 3.3Å; R48-Y62 WeakPolarHBondContact CA-O 3.44Å; R48-Y62 WeakPolarHBondContact CD-O 3.45Å
49	W	94	Very high	85.5	Confident	48 Å²	48	53.4 Å²	53.4	18%	0.182	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	115.2	169.8	-167.6	-95.2	0	0	0	108.3	E32 Q34 Y61 Y62 C65	E32-W49 HydrophobicContact CB-CZ2 4.41Å; E32-W49 HydrophobicContact CG-CZ2 4.21Å; Q34-W49 HydrophobicContact CB-CE3 3.97Å; Q34-W49 HydrophobicContact CB-CZ3 4Å; W49-Y61 CarbonylContact O-C 3.57Å; W49-Y61 VanDerWaalsContact O-CA 3.28Å; W49-Y61 WeakPolarHBondContact O-CA 3.39Å; W49-Y62 PolarHBondContact N-O 3.3Å; W49-Y62 PolarHBondContact O-N 3.01Å; W49-C65 HydrophobicContact CD2-CB 3.66Å; W49-C65 HydrophobicContact CE3-CB 3.7Å; W49-C65 HydrophobicContact CG-CB 4.06Å; W49-C65 VanDerWaalsContact CZ2-SG 3.57Å; W49-C65 HydrophobicContact CZ3-CB 4.13Å
50	C	95	Very high	86.2	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138.3	-176.6	-62.5	0	0	0	0	109.4	E32 G33 L35 R48 L59 R60 W116	E32-C50 CarbonylContact C-O 3.56Å; E32-C50 WeakPolarHBondContact CA-O 3.27Å; E32-C50 WeakPolarHBondContact CB-O 3.22Å; G33-C50 PolarHBondContact N-O 3.29Å; G33-C50 PolarHBondContact O-N 2.93Å; L35-C50 HydrophobicContact CD1-CB 3.96Å; L35-C50 HydrophobicContact CG-CB 4.34Å; R48-C50 PolarHBondContact O-N 3.42Å; C50-L59 HydrophobicContact CB-CD1 4.19Å; C50-R60 CarbonylContact C-O 3.51Å; C50-R60 WeakPolarHBondContact CA-O 3.37Å; C50-W116 HydrophobicContact CB-CH2 3.75Å; C50-W116 HydrophobicContact CB-CZ2 4.27Å; C50-W116 HydrophobicContact CB-CZ3 4.37Å
51	V	93.6	Very high	87.2	Confident	21 Å²	21	51.1 Å²	51.1	13%	0.127	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	115.6	179.7	-177	0	0	0	0	107.5	E32 R60 Y62	E32-V51 HydrophobicContact CB-CB 4.46Å; E32-V51 HydrophobicContact CB-CG1 4.48Å; E32-V51 HydrophobicContact CB-CG2 4.06Å; V51-R60 PolarHBondContact N-O 3.46Å; V51-R60 PolarHBondContact O-N 3.43Å; V51-Y62 HydrophobicContact CB-CE2 4.3Å; V51-Y62 HydrophobicContact CG2-CD2 4.21Å; V51-Y62 HydrophobicContact CG2-CE2 3.85Å
52	L	94.5	Very high	88.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	115.8	176.5	-179	52.7	0	0	0	109	L31 P54 L59 L78 W116 R119 L120 I123	L31-L52 HydrophobicContact CB-CB 4.19Å; L31-L52 HydrophobicContact CB-CD2 4.34Å; L31-L52 PolarHBondContact N-O 3.14Å; L31-L52 WeakPolarHBondContact O-CB 3.48Å; L31-L52 PolarHBondContact O-N 3.25Å; L52-P54 VanDerWaalsContact O-CD 3.29Å; L52-P54 WeakPolarHBondContact O-CD 3.41Å; L52-L59 HydrophobicContact CB-CD1 4.25Å; L52-L59 HydrophobicContact CD1-CB 4.41Å; L52-L78 HydrophobicContact CD1-CD1 3.34Å; L52-W116 HydrophobicContact CB-CH2 4.44Å; L52-W116 HydrophobicContact CB-CZ3 3.93Å; L52-W116 HydrophobicContact CD2-CE3 4.47Å; L52-W116 HydrophobicContact CD2-CZ3 4.31Å; L52-R119 HydrophobicContact CD2-CB 3.81Å; L52-L120 HydrophobicContact CD1-CD2 3.65Å; L52-L120 HydrophobicContact CD2-CD2 3.93Å; L52-L120 HydrophobicContact CD2-CG 4.09Å; L52-L120 HydrophobicContact CG-CD2 4.41Å; L52-I123 HydrophobicContact CD1-CD1 3.72Å; L52-I123 HydrophobicContact CD2-CD1 3.67Å; L52-I123 HydrophobicContact CG-CD1 3.5Å; L52-I123 VanDerWaalsContact CG-CD1 3.5Å
53	D	91.1	Very high	89.8	Confident	32 Å²	32	44 Å²	44	17%	0.171	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	98.6	-176	-171.9	-27.9	0	0	0	109.6	A55 K56 G57 E58 R60	D53-A55 VanDerWaalsContact C-N 3.3Å; D53-A55 PolarHBondContact O-N 2.99Å; D53-A55 PolarHBondContact OD1-N 2.97Å; D53-K56 HydrophobicContact CB-CB 4.49Å; D53-K56 PolarHBondContact O-N 3.23Å; D53-K56 PolarHBondContact OD1-N 2.97Å; D53-K56 WeakPolarHBondContact OD2-CD 3.29Å; D53-G57 PolarHBondContact O-N 3.03Å; D53-E58 PolarHBondContact N-O 3.29Å; D53-E58 PolarHBondContact O-N 3.29Å; D53-R60 IonicContact OD2-CZ 3.74Å; D53-R60 VanDerWaalsContact OD2-CZ 3.3Å; D53-R60 IonicContact OD2-NH1 3.65Å; D53-R60 PolarHBondContact OD2-NH1 3.39Å; D53-R60 IonicContact OD2-NH2 3.53Å; D53-R60 PolarHBondContact OD2-NH2 3.08Å
54	P	89.5	Confident	90.2	Very high	21 Å²	21	45.5 Å²	45.5	14%	0.136	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-29.7	-176.8	23.4	-31.7	0	0	0	112.8	R28 P30 L52 I123 H127	R28-P54 WeakPolarHBondContact O-CB 3.07Å; R28-P54 WeakPolarHBondContact O-CG 3.46Å; P30-P54 HydrophobicContact CG-CG 4.2Å; L52-P54 VanDerWaalsContact O-CD 3.29Å; L52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-I123 HydrophobicContact CB-CD1 3.74Å; P54-I123 HydrophobicContact CB-CG1 4Å; P54-H127 PolarHBondContact O-NE2 2.84Å
55	A	87.2	Confident	90	Very high	77 Å²	77	46.7 Å²	46.7	64%	0.636	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-42	179.4	0	0	0	0	0	111.1	D53 H127	D53-A55 VanDerWaalsContact C-N 3.3Å; D53-A55 PolarHBondContact O-N 2.99Å; D53-A55 PolarHBondContact OD1-N 2.97Å; A55-H127 PolarHBondContact O-CE1 3.35Å
56	K	87.1	Confident	89	Confident	129 Å²	129	50.8 Å²	50.8	56%	0.561	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-15.2	179.5	-72.7	171.9	174.9	174.8	0	114.3	D53 E58 H127	D53-K56 HydrophobicContact CB-CB 4.49Å; D53-K56 PolarHBondContact O-N 3.23Å; D53-K56 PolarHBondContact OD1-N 2.97Å; D53-K56 WeakPolarHBondContact OD2-CD 3.29Å; K56-E58 HydrophobicContact CB-CB 4.44Å; K56-E58 HydrophobicContact CB-CG 4.14Å; K56-H127 VanDerWaalsContact C-CE1 3.45Å
57	G	90	Very high	87.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	37.7	-177.4	0	0	0	0	0	111.7	D53 L78 H127	D53-G57 PolarHBondContact O-N 3.03Å; G57-L78 WeakPolarHBondContact O-CB 3.49Å; G57-L78 PolarHBondContact O-N 3.4Å; G57-H127 VanDerWaalsContact CA-CE1 3.47Å; G57-H127 WeakPolarHBondContact CA-CE1 3.31Å; G57-H127 VanDerWaalsContact CA-NE2 3.26Å; G57-H127 WeakPolarHBondContact CA-NE2 3.4Å; G57-H127 PolarHBondContact N-CE1 3Å; G57-H127 VanDerWaalsContact N-CE1 3.29Å; G57-H127 PolarHBondContact N-NE2 2.85Å
58	E	92.3	Very high	86.3	Confident	46 Å²	46	49.4 Å²	49.4	22%	0.215	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	139	-172.1	-69	179.6	165.5	0	0	111.9	D53 K56 R60 V75 L76	D53-E58 PolarHBondContact N-O 3.29Å; D53-E58 PolarHBondContact O-N 3.29Å; K56-E58 HydrophobicContact CB-CB 4.44Å; K56-E58 HydrophobicContact CB-CG 4.14Å; E58-R60 IonicContact OE2-CZ 3.75Å; E58-R60 VanDerWaalsContact OE2-CZ 3.31Å; E58-R60 IonicContact OE2-NE 2.79Å; E58-R60 PolarHBondContact OE2-NE 3.32Å; E58-R60 IonicContact OE2-NH2 2.83Å; E58-R60 PolarHBondContact OE2-NH2 3.35Å; E58-V75 HydrophobicContact CB-CG1 4.08Å; E58-V75 HydrophobicContact CG-CG1 3.98Å; E58-L76 CarbonylContact C-O 3.55Å; E58-L76 VanDerWaalsContact CA-O 3.31Å; E58-L76 WeakPolarHBondContact CA-O 3.23Å
59	L	94.4	Very high	84.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	113.5	163.2	177.2	64.7	0	0	0	109	C50 L52 L76 L78 V95 F105 W116 L120	C50-L59 HydrophobicContact CB-CD1 4.19Å; L52-L59 HydrophobicContact CB-CD1 4.25Å; L52-L59 HydrophobicContact CD1-CB 4.41Å; L59-L76 HydrophobicContact CB-CB 4.24Å; L59-L76 HydrophobicContact CD2-CD2 4.4Å; L59-L76 PolarHBondContact N-O 2.89Å; L59-L76 PolarHBondContact O-N 2.92Å; L59-L78 HydrophobicContact CB-CD1 4.26Å; L59-L78 HydrophobicContact CB-CD2 4.19Å; L59-L78 HydrophobicContact CB-CG 4.41Å; L59-V95 HydrophobicContact CD2-CG2 4.44Å; L59-F105 HydrophobicContact CD2-CE2 4.03Å; L59-F105 HydrophobicContact CD2-CZ 4.06Å; L59-W116 HydrophobicContact CD1-CH2 4.35Å; L59-W116 HydrophobicContact CD1-CZ3 3.7Å; L59-L120 HydrophobicContact CB-CD2 4.26Å; L59-L120 HydrophobicContact CD1-CD2 4.47Å; L59-L120 HydrophobicContact CD2-CD2 4.05Å; L59-L120 HydrophobicContact CG-CD2 4.5Å
60	R	92.4	Very high	83.7	Confident	29 Å²	29	56.2 Å²	56.2	11%	0.109	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	145.4	176.1	-52.5	-167.9	-166.7	100.4	19.2	110.1	C50 V51 D53 E58 Y62 P72 G74 V75	C50-R60 CarbonylContact C-O 3.51Å; C50-R60 WeakPolarHBondContact CA-O 3.37Å; V51-R60 PolarHBondContact N-O 3.46Å; V51-R60 PolarHBondContact O-N 3.43Å; D53-R60 IonicContact OD2-CZ 3.74Å; D53-R60 VanDerWaalsContact OD2-CZ 3.3Å; D53-R60 IonicContact OD2-NH1 3.65Å; D53-R60 PolarHBondContact OD2-NH1 3.39Å; D53-R60 IonicContact OD2-NH2 3.53Å; D53-R60 PolarHBondContact OD2-NH2 3.08Å; E58-R60 IonicContact OE2-CZ 3.75Å; E58-R60 VanDerWaalsContact OE2-CZ 3.31Å; E58-R60 IonicContact OE2-NE 2.79Å; E58-R60 PolarHBondContact OE2-NE 3.32Å; E58-R60 IonicContact OE2-NH2 2.83Å; E58-R60 PolarHBondContact OE2-NH2 3.35Å; R60-Y62 HydrophobicContact CB-CE2 3.98Å; R60-P72 HydrophobicContact CB-CB 4.22Å; R60-G74 WeakPolarHBondContact CA-O 3.43Å; R60-V75 HydrophobicContact CG-CG1 4.14Å; R60-V75 HydrophobicContact CG-CG2 4.03Å
61	Y	92.4	Very high	82.9	Confident	24 Å²	24	65.6 Å²	65.6	9%	0.094	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	143.3	172	68.9	-96.9	0	0	0	112.9	K37 R48 W49 R73 G74 L76 Y103	K37-Y61 HydrophobicContact CD-CD1 4.3Å; K37-Y61 HydrophobicContact CD-CD2 4.1Å; K37-Y61 HydrophobicContact CD-CE1 4.09Å; K37-Y61 HydrophobicContact CD-CE2 3.9Å; K37-Y61 HydrophobicContact CD-CG 4.31Å; R48-Y61 HydrophobicContact CB-CD2 4.4Å; R48-Y61 HydrophobicContact CG-CD2 4.12Å; W49-Y61 CarbonylContact O-C 3.57Å; W49-Y61 VanDerWaalsContact O-CA 3.28Å; W49-Y61 WeakPolarHBondContact O-CA 3.39Å; Y61-R73 HydrophobicContact CD2-CB 4.07Å; Y61-R73 HydrophobicContact CD2-CG 4.45Å; Y61-R73 HydrophobicContact CE2-CB 3.81Å; Y61-R73 HydrophobicContact CE2-CG 3.77Å; Y61-R73 PolarHBondContact O-N 3.17Å; Y61-G74 PolarHBondContact N-O 3.42Å; Y61-G74 PolarHBondContact O-N 3.06Å; Y61-L76 HydrophobicContact CD1-CD1 3.91Å; Y61-L76 HydrophobicContact CE1-CD1 3.69Å; Y61-Y103 HydrophobicContact CE1-CD1 4.49Å; Y61-Y103 HydrophobicContact CE1-CE1 4.36Å
62	Y	91.7	Very high	82.6	Confident	20 Å²	20	66.3 Å²	66.3	8%	0.078	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	161.9	-176.7	-55.3	-97.1	0	0	0	109.8	R48 W49 V51 R60 L70 P72	R48-Y62 VanDerWaalsContact CA-O 3.3Å; R48-Y62 WeakPolarHBondContact CA-O 3.44Å; R48-Y62 WeakPolarHBondContact CD-O 3.45Å; W49-Y62 PolarHBondContact N-O 3.3Å; W49-Y62 PolarHBondContact O-N 3.01Å; V51-Y62 HydrophobicContact CB-CE2 4.3Å; V51-Y62 HydrophobicContact CG2-CD2 4.21Å; V51-Y62 HydrophobicContact CG2-CE2 3.85Å; R60-Y62 HydrophobicContact CB-CE2 3.98Å; Y62-L70 WeakPolarHBondContact CE1-O 3.49Å; Y62-P72 HydrophobicContact CD1-CB 4.21Å; Y62-P72 VanDerWaalsContact CE1-CA 3.45Å; Y62-P72 HydrophobicContact CE1-CB 3.65Å; Y62-P72 HydrophobicContact CE1-CG 4.46Å; Y62-P72 HydrophobicContact CE2-CB 4.45Å
63	L	85	Confident	82.1	Confident	96 Å²	96	74.7 Å²	74.7	50%	0.503	39%	0.385	S	S	.	.	S	Bend	trans	-69.5	-37.4	177	-68	174.9	0	0	0	112.1
64	K	78.8	Confident	81.8	Confident	142 Å²	142	73.9 Å²	73.9	62%	0.617	39%	0.385	S	S	*	.	S	Bend	trans	-145.6	161.2	-179.4	-63.9	-174.3	179.6	-176.4	0	110.5	V67	K64-V67 HydrophobicContact CB-CG2 3.98Å
65	C	76.3	Confident	81.8	Confident	43 Å²	43	76 Å²	76	29%	0.291	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-63.9	-42.6	-179.2	-171.7	0	0	0	0	112.7	W49 V67 K68	W49-C65 HydrophobicContact CD2-CB 3.66Å; W49-C65 HydrophobicContact CE3-CB 3.7Å; W49-C65 HydrophobicContact CG-CB 4.06Å; W49-C65 VanDerWaalsContact CZ2-SG 3.57Å; W49-C65 HydrophobicContact CZ3-CB 4.13Å; C65-V67 PolarHBondContact O-N 2.92Å; C65-K68 WeakPolarHBondContact O-CG 3.17Å
66	D	67.3	Low	82	Confident	149 Å²	149	72.5 Å²	72.5	80%	0.797	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-68.9	-4.8	-174	-46.2	-38.6	0	0	0	113.8
67	V	63.4	Low	82	Confident	47 Å²	47	70 Å²	70	29%	0.285	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-106.6	14.5	-167.8	-169	0	0	0	0	111.8	K64 C65 A69 L70	K64-V67 HydrophobicContact CB-CG2 3.98Å; C65-V67 PolarHBondContact O-N 2.92Å; V67-A69 PolarHBondContact O-N 3.5Å; V67-A69 VanDerWaalsContact O-N 3.15Å; V67-L70 HydrophobicContact CG1-CB 3.72Å; V67-L70 HydrophobicContact CG1-CD1 3.31Å; V67-L70 HydrophobicContact CG1-CG 3.71Å; V67-L70 PolarHBondContact O-N 3.1Å
68	K	62.8	Low	82	Confident	80 Å²	80	70 Å²	70	35%	0.348	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.1	177.6	-71	173.4	-164.5	-178.5	0	113.8	E32 C65 L70	E32-K68 IonicContact OE1-NZ 3.31Å; E32-K68 PolarHBondContact OE1-NZ 2.9Å; E32-K68 WeakPolarHBondContact OE2-CE 3.46Å; E32-K68 IonicContact OE2-NZ 3.73Å; E32-K68 PolarHBondContact OE2-NZ 3.24Å; C65-K68 WeakPolarHBondContact O-CG 3.17Å; K68-L70 VanDerWaalsContact C-N 3.26Å; K68-L70 PolarHBondContact O-N 3.11Å
69	A	63.8	Low	81.5	Confident	107 Å²	107	68.1 Å²	68.1	88%	0.884	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.2	175.6	0	0	0	0	0	113.2	V67	V67-A69 PolarHBondContact O-N 3.5Å; V67-A69 VanDerWaalsContact O-N 3.15Å
70	L	68.9	Low	80.7	Confident	118 Å²	118	71.2 Å²	71.2	62%	0.618	38%	0.375	S	S	*	.	S	Bend	trans	-88.6	164	173.9	-63.2	-178.1	0	0	0	111.4	Y62 V67 K68	Y62-L70 WeakPolarHBondContact CE1-O 3.49Å; V67-L70 HydrophobicContact CG1-CB 3.72Å; V67-L70 HydrophobicContact CG1-CD1 3.31Å; V67-L70 HydrophobicContact CG1-CG 3.71Å; V67-L70 PolarHBondContact O-N 3.1Å; K68-L70 VanDerWaalsContact C-N 3.26Å; K68-L70 PolarHBondContact O-N 3.11Å
71	K	78	Confident	80.2	Confident	197 Å²	197	70.4 Å²	70.4	86%	0.857	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-56.3	132.7	175.1	-170.2	176.6	-179.1	176.3	0	110.7
72	P	86.7	Confident	79.7	Confident	35 Å²	35	75 Å²	75	23%	0.227	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-58.4	146.9	177.2	23.7	-34.6	0	0	0	111.5	R60 Y62 G74 V75	R60-P72 HydrophobicContact CB-CB 4.22Å; Y62-P72 HydrophobicContact CD1-CB 4.21Å; Y62-P72 VanDerWaalsContact CE1-CA 3.45Å; Y62-P72 HydrophobicContact CE1-CB 3.65Å; Y62-P72 HydrophobicContact CE1-CG 4.46Å; Y62-P72 HydrophobicContact CE2-CB 4.45Å; P72-G74 VanDerWaalsContact C-N 3.25Å; P72-G74 PolarHBondContact O-N 3.1Å; P72-V75 HydrophobicContact CB-CG2 3.97Å; P72-V75 HydrophobicContact CG-CG2 3.46Å; P72-V75 VanDerWaalsContact CG-CG2 3.46Å
73	R	84.5	Confident	79.5	Confident	176 Å²	176	74.7 Å²	74.7	66%	0.664	40%	0.396	S	S	*	.	S	Bend	trans	-71.3	-26.8	177.3	-177.1	56.4	178.3	165.1	0.7	111.6	Y61	Y61-R73 HydrophobicContact CD2-CB 4.07Å; Y61-R73 HydrophobicContact CD2-CG 4.45Å; Y61-R73 HydrophobicContact CE2-CB 3.81Å; Y61-R73 HydrophobicContact CE2-CG 3.77Å; Y61-R73 PolarHBondContact O-N 3.17Å
74	G	86	Confident	79.4	Confident	15 Å²	15	74 Å²	74	16%	0.155	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	154.4	170.1	0	0	0	0	0	111.2	R60 Y61 P72	R60-G74 WeakPolarHBondContact CA-O 3.43Å; Y61-G74 PolarHBondContact N-O 3.42Å; Y61-G74 PolarHBondContact O-N 3.06Å; P72-G74 VanDerWaalsContact C-N 3.25Å; P72-G74 PolarHBondContact O-N 3.1Å
75	V	89.6	Confident	79.6	Confident	67 Å²	67	69.3 Å²	69.3	41%	0.406	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.8	179.1	-178.8	0	0	0	0	107.2	E58 R60 P72	E58-V75 HydrophobicContact CB-CG1 4.08Å; E58-V75 HydrophobicContact CG-CG1 3.98Å; R60-V75 HydrophobicContact CG-CG1 4.14Å; R60-V75 HydrophobicContact CG-CG2 4.03Å; P72-V75 HydrophobicContact CB-CG2 3.97Å; P72-V75 HydrophobicContact CG-CG2 3.46Å; P72-V75 VanDerWaalsContact CG-CG2 3.46Å
76	L	89.8	Confident	79.8	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.01	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.7	178.4	-75	69.5	0	0	0	107.7	E58 L59 Y61 V95 P97 Y103 F105	E58-L76 CarbonylContact C-O 3.55Å; E58-L76 VanDerWaalsContact CA-O 3.31Å; E58-L76 WeakPolarHBondContact CA-O 3.23Å; L59-L76 HydrophobicContact CB-CB 4.24Å; L59-L76 HydrophobicContact CD2-CD2 4.4Å; L59-L76 PolarHBondContact N-O 2.89Å; L59-L76 PolarHBondContact O-N 2.92Å; Y61-L76 HydrophobicContact CD1-CD1 3.91Å; Y61-L76 HydrophobicContact CE1-CD1 3.69Å; L76-V95 HydrophobicContact CD2-CB 4.23Å; L76-V95 HydrophobicContact CD2-CG1 3.94Å; L76-P97 HydrophobicContact CB-CG 3.8Å; L76-P97 HydrophobicContact CD2-CG 3.85Å; L76-P97 HydrophobicContact CG-CG 3.74Å; L76-Y103 HydrophobicContact CD1-CD1 4.14Å; L76-Y103 HydrophobicContact CD1-CE1 4.11Å; L76-Y103 HydrophobicContact CD1-CG 4.42Å; L76-Y103 HydrophobicContact CD2-CD1 4.13Å; L76-Y103 HydrophobicContact CD2-CD2 3.66Å; L76-Y103 HydrophobicContact CD2-CE2 4.26Å; L76-Y103 HydrophobicContact CD2-CG 3.61Å; L76-Y103 HydrophobicContact CG-CD1 4.44Å; L76-Y103 HydrophobicContact CG-CD2 4.09Å; L76-Y103 HydrophobicContact CG-CE2 4.18Å; L76-Y103 HydrophobicContact CG-CG 4.25Å; L76-F105 HydrophobicContact CD2-CE2 4.35Å
77	N	87.9	Confident	80.1	Confident	76 Å²	76	69.3 Å²	69.3	41%	0.406	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	125	172	-169.4	-61.4	0	0	0	109.2	A79 P97	N77-A79 WeakPolarHBondContact OD1-CB 3.41Å; N77-A79 PolarHBondContact OD1-N 3.37Å; N77-P97 WeakPolarHBondContact O-CB 3.33Å
78	L	90	Very high	80.2	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.373	C	S	.	.			trans	-92	-7.4	-174	-61.1	175.6	0	0	0	113.3	L52 G57 L59 S80 A81 V95 L120 I123 A124	L52-L78 HydrophobicContact CD1-CD1 3.34Å; G57-L78 WeakPolarHBondContact O-CB 3.49Å; G57-L78 PolarHBondContact O-N 3.4Å; L59-L78 HydrophobicContact CB-CD1 4.26Å; L59-L78 HydrophobicContact CB-CD2 4.19Å; L59-L78 HydrophobicContact CB-CG 4.41Å; L78-S80 PolarHBondContact O-N 2.89Å; L78-A81 HydrophobicContact CB-CB 4.46Å; L78-A81 HydrophobicContact CD2-CB 4.18Å; L78-A81 WeakPolarHBondContact O-CB 3.4Å; L78-A81 PolarHBondContact O-N 2.95Å; L78-V95 HydrophobicContact CD2-CG1 3.88Å; L78-L120 HydrophobicContact CD1-CD2 3.65Å; L78-L120 HydrophobicContact CD2-CD2 4Å; L78-I123 HydrophobicContact CD1-CG2 4.06Å; L78-A124 HydrophobicContact CB-CB 4.27Å; L78-A124 VanDerWaalsContact O-CA 3.24Å; L78-A124 WeakPolarHBondContact O-CA 3.26Å; L78-A124 WeakPolarHBondContact O-CB 3.49Å
79	A	82.2	Confident	81	Confident	8 Å²	8	68 Å²	68	7%	0.066	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	113.6	177.1	0	0	0	0	0	109.2	N77 A81 H127 R131	N77-A79 WeakPolarHBondContact OD1-CB 3.41Å; N77-A79 PolarHBondContact OD1-N 3.37Å; A79-A81 PolarHBondContact O-N 3.19Å; A79-H127 HydrophobicContact CB-CB 4.12Å; A79-R131 VanDerWaalsContact CB-NH1 3.35Å
80	S	77.1	Confident	81.9	Confident	65 Å²	65	65.1 Å²	65.1	46%	0.455	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	23.9	-174.8	-49.5	0	0	0	0	114.8	L78	L78-S80 PolarHBondContact O-N 2.89Å
81	A	82.4	Confident	82.9	Confident	12 Å²	12	62 Å²	62	10%	0.099	32%	0.321	C	S	.	.			trans	-73.4	144.1	171.1	0	0	0	0	0	111.3	L78 A79 I83 I96	L78-A81 HydrophobicContact CB-CB 4.46Å; L78-A81 HydrophobicContact CD2-CB 4.18Å; L78-A81 WeakPolarHBondContact O-CB 3.4Å; L78-A81 PolarHBondContact O-N 2.95Å; A79-A81 PolarHBondContact O-N 3.19Å; A81-I83 HydrophobicContact CB-CD1 4.44Å; A81-I83 WeakPolarHBondContact O-CD1 3.34Å; A81-I96 CarbonylContact C-O 3.37Å; A81-I96 WeakPolarHBondContact CA-O 3.09Å; A81-I96 WeakPolarHBondContact CB-O 3.42Å
82	E	81.5	Confident	83.5	Confident	121 Å²	121	52.7 Å²	52.7	57%	0.565	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.6	172	-69.8	-176.3	174.9	0	0	111	I96	E82-I96 HydrophobicContact CB-CB 4.32Å; E82-I96 PolarHBondContact N-O 3.06Å; E82-I96 PolarHBondContact O-N 3.34Å
83	I	87.6	Confident	83.7	Confident	13 Å²	13	51 Å²	51	7%	0.067	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	108.7	178.7	-60.9	74.5	0	0	0	108.6	A81 S94 I117 L120 R121 A124	A81-I83 HydrophobicContact CB-CD1 4.44Å; A81-I83 WeakPolarHBondContact O-CD1 3.34Å; I83-S94 WeakPolarHBondContact CA-O 3.32Å; I83-I117 HydrophobicContact CG2-CB 4.34Å; I83-I117 HydrophobicContact CG2-CG1 4.13Å; I83-I117 HydrophobicContact CG2-CG2 4.01Å; I83-L120 HydrophobicContact CD1-CB 4.44Å; I83-L120 HydrophobicContact CG1-CB 3.82Å; I83-R121 HydrophobicContact CB-CG 3.78Å; I83-R121 HydrophobicContact CD1-CG 4.14Å; I83-R121 HydrophobicContact CG1-CG 4.1Å; I83-R121 HydrophobicContact CG2-CG 4.25Å; I83-R121 PolarHBondContact O-NE 3.45Å; I83-R121 PolarHBondContact O-NH2 3.07Å; I83-A124 HydrophobicContact CD1-CB 4.06Å
84	I	82.9	Confident	84	Confident	80 Å²	80	43.6 Å²	43.6	41%	0.41	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	107	-173.1	-54.8	178.6	0	0	0	108.9	F93 S94 I96	I84-F93 CarbonylContact O-C 3.42Å; I84-F93 WeakPolarHBondContact O-CA 3.49Å; I84-S94 PolarHBondContact N-O 3.05Å; I84-S94 PolarHBondContact O-N 3.33Å; I84-I96 HydrophobicContact CD1-CD1 3.66Å; I84-I96 HydrophobicContact CG1-CD1 4.49Å
85	P	83.7	Confident	84.1	Confident	44 Å²	44	42.9 Å²	42.9	29%	0.286	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	140.3	167.9	20.4	-28.6	0	0	0	109.8	E87 I117	P85-E87 PolarHBondContact O-N 2.96Å; P85-I117 HydrophobicContact CB-CD1 3.79Å
86	S	80	Confident	83.8	Confident	22 Å²	22	41.4 Å²	41.4	15%	0.154	23%	0.227	C	C	.	.			trans	-66	130.1	166.6	-170.2	0	0	0	0	109.1	D88 D89 T92 K113	S86-D88 VanDerWaalsContact C-N 3.34Å; S86-D88 PolarHBondContact OG-N 2.79Å; S86-D89 PolarHBondContact OG-N 2.92Å; S86-D89 PolarHBondContact OG-OD2 2.88Å; S86-T92 WeakPolarHBondContact CB-O 3.25Å; S86-T92 PolarHBondContact N-O 3.18Å; S86-K113 PolarHBondContact O-NZ 2.99Å
87	E	74.2	Confident	83.4	Confident	170 Å²	170	41.6 Å²	41.6	79%	0.794	23%	0.228	S	C	*	.	S	Bend	trans	-80.8	-22.4	164.7	-63.9	-177.2	-179.7	0	0	110.8	P85 D89	P85-E87 PolarHBondContact O-N 2.96Å; E87-D89 VanDerWaalsContact C-N 3.35Å; E87-D89 PolarHBondContact O-N 3.01Å
88	D	65	Low	82.7	Confident	67 Å²	67	46 Å²	46	36%	0.358	24%	0.24	S	C	.	.	S	Bend	trans	-73.3	-25.8	-177.3	-58.4	-52.2	0	0	0	112.3	S86 R499 F533	S86-D88 VanDerWaalsContact C-N 3.34Å; S86-D88 PolarHBondContact OG-N 2.79Å; D88-R499 IonicContact OD1-CZ 3.06Å; D88-R499 IonicContact OD1-NH1 3.62Å; D88-R499 IonicContact OD1-NH2 2.68Å; D88-R499 PolarHBondContact OD1-NH2 3.18Å; D88-F533 WeakPolarHBondContact O-CB 3.46Å
89	D	78.7	Confident	81	Confident	33 Å²	33	49.9 Å²	49.9	18%	0.176	28%	0.28	C	S	.	.			trans	-156.7	158.5	179.4	75.8	85.7	0	0	0	114.5	S86 E87 M91 T92 K113	S86-D89 PolarHBondContact OG-N 2.92Å; S86-D89 PolarHBondContact OG-OD2 2.88Å; E87-D89 VanDerWaalsContact C-N 3.35Å; E87-D89 PolarHBondContact O-N 3.01Å; D89-M91 VanDerWaalsContact C-N 3.28Å; D89-M91 PolarHBondContact O-N 3.34Å; D89-M91 WeakPolarHBondContact OD1-CA 3.49Å; D89-M91 PolarHBondContact OD1-N 3.4Å; D89-T92 WeakPolarHBondContact OD1-CB 3.12Å; D89-T92 PolarHBondContact OD1-N 2.93Å; D89-T92 PolarHBondContact OD1-OG1 3.06Å; D89-T92 WeakPolarHBondContact OD2-CB 3.39Å; D89-T92 PolarHBondContact OD2-OG1 2.62Å; D89-K113 PolarHBondContact O-NZ 3.41Å
90	S	84.2	Confident	80.2	Confident	47 Å²	47	52.9 Å²	52.9	33%	0.329	30%	0.3	S	S	.	.	S	Bend	trans	-77.6	-3	-173.9	60.6	0	0	0	0	115	K113	S90-K113 WeakPolarHBondContact O-CD 3.45Å
91	M	88.7	Confident	79.9	Confident	53 Å²	53	55.7 Å²	55.7	26%	0.261	31%	0.31	S	S	.	.	S	Bend	trans	-119.8	-25.6	-172.2	-53.6	-52.9	-178.1	0	0	113.9	D89 K106 A107 D109 T110	D89-M91 VanDerWaalsContact C-N 3.28Å; D89-M91 PolarHBondContact O-N 3.34Å; D89-M91 WeakPolarHBondContact OD1-CA 3.49Å; D89-M91 PolarHBondContact OD1-N 3.4Å; M91-K106 WeakPolarHBondContact O-CA 3.48Å; M91-A107 PolarHBondContact O-N 3.01Å; M91-D109 HydrophobicContact CE-CB 4.46Å; M91-D109 WeakPolarHBondContact SD-CA 3.37Å; M91-T110 WeakPolarHBondContact CE-OG1 3.27Å; M91-T110 PolarHBondContact SD-N 3.33Å
92	T	90.1	Very high	79.9	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	143.8	-175.3	-55.9	0	0	0	0	111.3	W45 S86 D89 F105 K106 K113	W45-T92 HydrophobicContact CH2-CG2 3.94Å; W45-T92 HydrophobicContact CZ2-CG2 4.49Å; S86-T92 WeakPolarHBondContact CB-O 3.25Å; S86-T92 PolarHBondContact N-O 3.18Å; D89-T92 WeakPolarHBondContact OD1-CB 3.12Å; D89-T92 PolarHBondContact OD1-N 2.93Å; D89-T92 PolarHBondContact OD1-OG1 3.06Å; D89-T92 WeakPolarHBondContact OD2-CB 3.39Å; D89-T92 PolarHBondContact OD2-OG1 2.62Å; T92-F105 CarbonylContact C-O 3.55Å; T92-F105 VanDerWaalsContact CA-O 3.25Å; T92-F105 WeakPolarHBondContact CA-O 3.17Å; T92-F105 WeakPolarHBondContact CG2-O 3.48Å; T92-K106 HydrophobicContact CG2-CG 4.38Å; T92-K106 WeakPolarHBondContact OG1-CE 3.27Å; T92-K106 WeakPolarHBondContact OG1-CG 3.3Å; T92-K113 WeakPolarHBondContact O-CE 3.39Å; T92-K113 PolarHBondContact O-NZ 3.16Å; T92-K113 VanDerWaalsContact O-NZ 3.1Å
93	F	90.8	Very high	80.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	158.7	167.8	60.1	-81.6	0	0	0	109.7	L35 I84 V95 F105 A107 K113 W116 I117 L120	L35-F93 HydrophobicContact CD1-CZ 3.97Å; I84-F93 CarbonylContact O-C 3.42Å; I84-F93 WeakPolarHBondContact O-CA 3.49Å; F93-V95 HydrophobicContact CD2-CG2 4.11Å; F93-V95 HydrophobicContact CE2-CG2 4.05Å; F93-F105 HydrophobicContact CD1-CB 4.44Å; F93-F105 HydrophobicContact CD2-CB 4.38Å; F93-F105 HydrophobicContact CE1-CB 3.93Å; F93-F105 HydrophobicContact CE2-CB 3.85Å; F93-F105 HydrophobicContact CE2-CD2 4.26Å; F93-F105 HydrophobicContact CE2-CG 4.37Å; F93-F105 HydrophobicContact CZ-CB 3.61Å; F93-F105 HydrophobicContact CZ-CG 4.4Å; F93-F105 PolarHBondContact N-O 3.37Å; F93-F105 PolarHBondContact O-N 3.33Å; F93-F105 VanDerWaalsContact O-O 3.12Å; F93-A107 HydrophobicContact CE1-CB 4.45Å; F93-K113 HydrophobicContact CD1-CG 3.99Å; F93-W116 HydrophobicContact CE1-CB 4.21Å; F93-W116 HydrophobicContact CE2-CB 4.43Å; F93-W116 HydrophobicContact CZ-CB 3.8Å; F93-W116 HydrophobicContact CZ-CG 4.2Å; F93-I117 HydrophobicContact CB-CD1 3.82Å; F93-I117 HydrophobicContact CB-CG1 3.95Å; F93-I117 HydrophobicContact CD1-CG1 4.45Å; F93-I117 HydrophobicContact CD2-CG1 4.23Å; F93-I117 HydrophobicContact CG-CD1 4.3Å; F93-I117 HydrophobicContact CG-CG1 3.97Å; F93-L120 HydrophobicContact CD2-CD1 4.38Å; F93-L120 HydrophobicContact CE2-CD1 3.7Å
94	S	91.3	Very high	80.2	Confident	20 Å²	20	57.1 Å²	57.1	14%	0.14	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.7	178.9	-55.2	0	0	0	0	109.8	I83 I84 Y103	I83-S94 WeakPolarHBondContact CA-O 3.32Å; I84-S94 PolarHBondContact N-O 3.05Å; I84-S94 PolarHBondContact O-N 3.33Å; S94-Y103 CarbonylContact C-O 3.48Å; S94-Y103 WeakPolarHBondContact CA-O 3.41Å
95	V	89.1	Confident	80.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.3	171.5	-176.7	0	0	0	0	107.3	L59 L76 L78 F93 Y103 F105 L120	L59-V95 HydrophobicContact CD2-CG2 4.44Å; L76-V95 HydrophobicContact CD2-CB 4.23Å; L76-V95 HydrophobicContact CD2-CG1 3.94Å; L78-V95 HydrophobicContact CD2-CG1 3.88Å; F93-V95 HydrophobicContact CD2-CG2 4.11Å; F93-V95 HydrophobicContact CE2-CG2 4.05Å; V95-Y103 PolarHBondContact N-O 3.26Å; V95-Y103 WeakPolarHBondContact O-CB 3.31Å; V95-Y103 PolarHBondContact O-N 3.22Å; V95-F105 HydrophobicContact CB-CE2 4.31Å; V95-F105 HydrophobicContact CG2-CD2 4.06Å; V95-F105 HydrophobicContact CG2-CE2 4.15Å; V95-L120 HydrophobicContact CG2-CD1 3.82Å
96	I	83.6	Confident	81.4	Confident	36 Å²	36	54.1 Å²	54.1	19%	0.185	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	94.2	-177.9	-48.3	178.5	0	0	0	107.5	A81 E82 I84 V102	A81-I96 CarbonylContact C-O 3.37Å; A81-I96 WeakPolarHBondContact CA-O 3.09Å; A81-I96 WeakPolarHBondContact CB-O 3.42Å; E82-I96 HydrophobicContact CB-CB 4.32Å; E82-I96 PolarHBondContact N-O 3.06Å; E82-I96 PolarHBondContact O-N 3.34Å; I84-I96 HydrophobicContact CD1-CD1 3.66Å; I84-I96 HydrophobicContact CG1-CD1 4.49Å; I96-V102 HydrophobicContact CD1-CG1 4.25Å; I96-V102 HydrophobicContact CD1-CG2 3.79Å; I96-V102 HydrophobicContact CG1-CB 4.25Å; I96-V102 HydrophobicContact CG1-CG1 3.98Å; I96-V102 HydrophobicContact CG1-CG2 3.91Å; I96-V102 HydrophobicContact CG2-CG2 4.4Å
97	P	81.5	Confident	82	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.032	29%	0.289	C	S	.	.			trans	-60.8	150.9	171.4	-17.8	31.2	0	0	0	110.7	L76 N77 G99 C100 Y103	L76-P97 HydrophobicContact CB-CG 3.8Å; L76-P97 HydrophobicContact CD2-CG 3.85Å; L76-P97 HydrophobicContact CG-CG 3.74Å; N77-P97 WeakPolarHBondContact O-CB 3.33Å; P97-G99 PolarHBondContact O-N 2.85Å; P97-C100 HydrophobicContact CB-CB 3.81Å; P97-C100 HydrophobicContact CG-CB 4.11Å; P97-C100 PolarHBondContact O-N 2.98Å; P97-Y103 HydrophobicContact CG-CD2 4.23Å; P97-Y103 HydrophobicContact CG-CE2 4.24Å
98	Y	71.5	Confident	82.8	Confident	169 Å²	169	52.1 Å²	52.1	66%	0.663	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	123	179.9	-177.1	-97.1	0	0	0	111.4	C100	Y98-C100 PolarHBondContact O-N 3.41Å
99	G	56	Low	84	Confident	81 Å²	81	52.2 Å²	52.2	84%	0.835	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	12.9	179.4	0	0	0	0	0	115.3	P97	P97-G99 PolarHBondContact O-N 2.85Å
100	C	64.7	Low	84.2	Confident	71 Å²	71	53.8 Å²	53.8	48%	0.48	29%	0.293	S	S	.	.	S	Bend	trans	-114.1	172.1	-179.7	-67.2	0	0	0	0	112.3	P97 Y98 Y103	P97-C100 HydrophobicContact CB-CB 3.81Å; P97-C100 HydrophobicContact CG-CB 4.11Å; P97-C100 PolarHBondContact O-N 2.98Å; Y98-C100 PolarHBondContact O-N 3.41Å; C100-Y103 HydrophobicContact CB-CE2 4.5Å
101	D	71	Confident	84.3	Confident	125 Å²	125	59.8 Å²	59.8	67%	0.668	31%	0.314	S	S	*	.			trans	-65.4	161.4	173.4	-72.9	-38.3	0	0	0	112.7	Y103	D101-Y103 HydrophobicContact CB-CE2 4.49Å; D101-Y103 WeakPolarHBondContact O-CD2 3.45Å; D101-Y103 VanDerWaalsContact O-CE2 3.23Å; D101-Y103 WeakPolarHBondContact O-CE2 3.29Å
102	V	81.5	Confident	84.4	Confident	51 Å²	51	58.3 Å²	58.3	31%	0.309	31%	0.308	S	S	.	.			trans	-76.2	122.4	174.6	-178.1	0	0	0	0	110.1	I96 R104	I96-V102 HydrophobicContact CD1-CG1 4.25Å; I96-V102 HydrophobicContact CD1-CG2 3.79Å; I96-V102 HydrophobicContact CG1-CB 4.25Å; I96-V102 HydrophobicContact CG1-CG1 3.98Å; I96-V102 HydrophobicContact CG1-CG2 3.91Å; I96-V102 HydrophobicContact CG2-CG2 4.4Å; V102-R104 HydrophobicContact CG1-CG 4.45Å
103	Y	86.8	Confident	84.4	Confident	54 Å²	54	58.7 Å²	58.7	21%	0.212	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116	175.1	-66.1	-101.1	0	0	0	110.5	Y61 L76 S94 V95 P97 C100 D101	Y61-Y103 HydrophobicContact CE1-CD1 4.49Å; Y61-Y103 HydrophobicContact CE1-CE1 4.36Å; L76-Y103 HydrophobicContact CD1-CD1 4.14Å; L76-Y103 HydrophobicContact CD1-CE1 4.11Å; L76-Y103 HydrophobicContact CD1-CG 4.42Å; L76-Y103 HydrophobicContact CD2-CD1 4.13Å; L76-Y103 HydrophobicContact CD2-CD2 3.66Å; L76-Y103 HydrophobicContact CD2-CE2 4.26Å; L76-Y103 HydrophobicContact CD2-CG 3.61Å; L76-Y103 HydrophobicContact CG-CD1 4.44Å; L76-Y103 HydrophobicContact CG-CD2 4.09Å; L76-Y103 HydrophobicContact CG-CE2 4.18Å; L76-Y103 HydrophobicContact CG-CG 4.25Å; S94-Y103 CarbonylContact C-O 3.48Å; S94-Y103 WeakPolarHBondContact CA-O 3.41Å; V95-Y103 PolarHBondContact N-O 3.26Å; V95-Y103 WeakPolarHBondContact O-CB 3.31Å; V95-Y103 PolarHBondContact O-N 3.22Å; P97-Y103 HydrophobicContact CG-CD2 4.23Å; P97-Y103 HydrophobicContact CG-CE2 4.24Å; C100-Y103 HydrophobicContact CB-CE2 4.5Å; D101-Y103 HydrophobicContact CB-CE2 4.49Å; D101-Y103 WeakPolarHBondContact O-CD2 3.45Å; D101-Y103 VanDerWaalsContact O-CE2 3.23Å; D101-Y103 WeakPolarHBondContact O-CE2 3.29Å
104	R	89.8	Confident	84.2	Confident	70 Å²	70	62.8 Å²	62.8	26%	0.264	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.6	178.1	-70.9	176.2	58	177	5.1	111.9	K37 F38 W45 V102	K37-R104 WeakPolarHBondContact CA-O 3.27Å; F38-R104 HydrophobicContact CB-CB 3.95Å; F38-R104 PolarHBondContact N-O 3.24Å; W45-R104 HydrophobicContact CH2-CB 3.87Å; W45-R104 HydrophobicContact CZ3-CB 4.28Å; V102-R104 HydrophobicContact CG1-CG 4.45Å
105	F	95.1	Very high	84.2	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.5	176.6	-63	-85	0	0	0	111	L35 L36 K37 L59 L76 T92 F93 V95	L35-F105 HydrophobicContact CB-CD1 4.14Å; L35-F105 HydrophobicContact CD1-CB 4.2Å; L35-F105 HydrophobicContact CD1-CD1 4.04Å; L35-F105 HydrophobicContact CD1-CG 4.29Å; L36-F105 CarbonylContact O-C 3.51Å; L36-F105 VanDerWaalsContact O-CA 3.24Å; L36-F105 WeakPolarHBondContact O-CA 3.32Å; K37-F105 HydrophobicContact CB-CD1 4.02Å; K37-F105 HydrophobicContact CB-CE1 3.93Å; K37-F105 HydrophobicContact CD-CE1 4.06Å; K37-F105 HydrophobicContact CD-CZ 4.39Å; K37-F105 HydrophobicContact CG-CD1 4.14Å; K37-F105 HydrophobicContact CG-CE1 3.74Å; K37-F105 HydrophobicContact CG-CZ 4.27Å; L59-F105 HydrophobicContact CD2-CE2 4.03Å; L59-F105 HydrophobicContact CD2-CZ 4.06Å; L76-F105 HydrophobicContact CD2-CE2 4.35Å; T92-F105 CarbonylContact C-O 3.55Å; T92-F105 VanDerWaalsContact CA-O 3.25Å; T92-F105 WeakPolarHBondContact CA-O 3.17Å; T92-F105 WeakPolarHBondContact CG2-O 3.48Å; F93-F105 HydrophobicContact CD1-CB 4.44Å; F93-F105 HydrophobicContact CD2-CB 4.38Å; F93-F105 HydrophobicContact CE1-CB 3.93Å; F93-F105 HydrophobicContact CE2-CB 3.85Å; F93-F105 HydrophobicContact CE2-CD2 4.26Å; F93-F105 HydrophobicContact CE2-CG 4.37Å; F93-F105 HydrophobicContact CZ-CB 3.61Å; F93-F105 HydrophobicContact CZ-CG 4.4Å; F93-F105 PolarHBondContact N-O 3.37Å; F93-F105 PolarHBondContact O-N 3.33Å; F93-F105 VanDerWaalsContact O-O 3.12Å; V95-F105 HydrophobicContact CB-CE2 4.31Å; V95-F105 HydrophobicContact CG2-CD2 4.06Å; V95-F105 HydrophobicContact CG2-CE2 4.15Å
106	K	95.1	Very high	84.5	Confident	61 Å²	61	65.7 Å²	65.7	27%	0.265	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.8	172.9	-91.9	179.3	177.7	-172.2	0	109.1	L36 W45 M91 T92	L36-K106 HydrophobicContact CB-CB 3.84Å; L36-K106 PolarHBondContact N-O 2.75Å; L36-K106 PolarHBondContact O-N 2.97Å; W45-K106 HydrophobicContact CD2-CD 3.94Å; W45-K106 HydrophobicContact CE3-CB 4.27Å; W45-K106 HydrophobicContact CE3-CD 4.04Å; W45-K106 HydrophobicContact CE3-CG 4.21Å; W45-K106 HydrophobicContact CH2-CB 4.4Å; W45-K106 HydrophobicContact CH2-CD 3.86Å; W45-K106 HydrophobicContact CH2-CG 3.68Å; W45-K106 HydrophobicContact CZ2-CD 3.76Å; W45-K106 VanDerWaalsContact CZ2-CE 3.47Å; W45-K106 HydrophobicContact CZ2-CG 4.09Å; W45-K106 HydrophobicContact CZ3-CB 3.98Å; W45-K106 HydrophobicContact CZ3-CD 4.01Å; W45-K106 HydrophobicContact CZ3-CG 3.75Å; M91-K106 WeakPolarHBondContact O-CA 3.48Å; T92-K106 HydrophobicContact CG2-CG 4.38Å; T92-K106 WeakPolarHBondContact OG1-CE 3.27Å; T92-K106 WeakPolarHBondContact OG1-CG 3.3Å
107	A	94.3	Very high	84.9	Confident	10 Å²	10	64 Å²	64	8%	0.083	33%	0.331	C	S	.	.			trans	-79.6	170.8	172.7	0	0	0	0	0	111.6	L35 M91 F93 K113	L35-A107 HydrophobicContact CD2-CB 4.15Å; M91-A107 PolarHBondContact O-N 3.01Å; F93-A107 HydrophobicContact CE1-CB 4.45Å; A107-K113 HydrophobicContact CB-CB 3.82Å
108	Q	90.7	Very high	85.2	Confident	140 Å²	140	66.7 Å²	66.7	65%	0.654	35%	0.346	S	S	*	.	S	Bend	trans	-74.4	-36.9	178	-64.6	-179.5	-6.2	0	0	112
109	D	89.5	Confident	86.1	Confident	70 Å²	70	59.8 Å²	59.8	37%	0.374	32%	0.318	S	S	.	.	S	Bend	trans	-148.4	170.4	179.1	65.4	62.7	0	0	0	111.5	M91 K111 S112 K113	M91-D109 HydrophobicContact CE-CB 4.46Å; M91-D109 WeakPolarHBondContact SD-CA 3.37Å; D109-K111 VanDerWaalsContact C-N 3.28Å; D109-K111 PolarHBondContact O-N 3.25Å; D109-K111 WeakPolarHBondContact OD1-CA 3.39Å; D109-K111 VanDerWaalsContact OD1-CB 3.29Å; D109-K111 WeakPolarHBondContact OD1-CB 3.36Å; D109-K111 PolarHBondContact OD1-N 3.27Å; D109-S112 PolarHBondContact O-N 3.15Å; D109-S112 WeakPolarHBondContact OD1-CB 3.33Å; D109-S112 PolarHBondContact OD1-N 3.36Å; D109-K113 PolarHBondContact O-N 2.76Å
110	T	83.4	Confident	88	Confident	65 Å²	65	56 Å²	56	40%	0.399	28%	0.279	S	S	.	.	H	α-helix	trans	-65.4	-34.1	-174.4	-50.8	0	0	0	0	111.4	M91 K113 Q114	M91-T110 WeakPolarHBondContact CE-OG1 3.27Å; M91-T110 PolarHBondContact SD-N 3.33Å; T110-K113 PolarHBondContact O-N 3.41Å; T110-Q114 WeakPolarHBondContact O-CG 3.39Å; T110-Q114 PolarHBondContact O-N 3.12Å
111	K	85.3	Confident	89.2	Confident	174 Å²	174	57 Å²	57	76%	0.757	27%	0.273	S	S	*	.	H	α-helix	trans	-67.6	-46.1	179.1	-177.7	-175.6	177.5	-176.2	0	109.7	D109 Q114 E115	D109-K111 VanDerWaalsContact C-N 3.28Å; D109-K111 PolarHBondContact O-N 3.25Å; D109-K111 WeakPolarHBondContact OD1-CA 3.39Å; D109-K111 VanDerWaalsContact OD1-CB 3.29Å; D109-K111 WeakPolarHBondContact OD1-CB 3.36Å; D109-K111 PolarHBondContact OD1-N 3.27Å; K111-Q114 PolarHBondContact O-N 3.43Å; K111-E115 PolarHBondContact O-N 3.48Å
112	S	91	Very high	90	Very high	21 Å²	21	52.6 Å²	52.6	15%	0.147	25%	0.25	C	S	.	.	H	α-helix	trans	-61.9	-42.7	174.7	-175.4	0	0	0	0	111.7	D109 Q114 E115 W116	D109-S112 PolarHBondContact O-N 3.15Å; D109-S112 WeakPolarHBondContact OD1-CB 3.33Å; D109-S112 PolarHBondContact OD1-N 3.36Å; S112-Q114 VanDerWaalsContact C-N 3.32Å; S112-Q114 PolarHBondContact O-N 3.5Å; S112-E115 PolarHBondContact O-N 3.17Å; S112-W116 VanDerWaalsContact O-CD1 3.24Å; S112-W116 PolarHBondContact O-N 2.9Å
113	K	91.2	Very high	90.4	Very high	9 Å²	9	50.3 Å²	50.3	4%	0.039	24%	0.236	C	C	.	.	H	α-helix	trans	-53.9	-50.5	172.4	172.5	-171.3	175.6	174.9	0	110.8	S86 D89 S90 T92 F93 A107 D109 T110 E115 W116 I117	S86-K113 PolarHBondContact O-NZ 2.99Å; D89-K113 PolarHBondContact O-NZ 3.41Å; S90-K113 WeakPolarHBondContact O-CD 3.45Å; T92-K113 WeakPolarHBondContact O-CE 3.39Å; T92-K113 PolarHBondContact O-NZ 3.16Å; T92-K113 VanDerWaalsContact O-NZ 3.1Å; F93-K113 HydrophobicContact CD1-CG 3.99Å; A107-K113 HydrophobicContact CB-CB 3.82Å; D109-K113 PolarHBondContact O-N 2.76Å; T110-K113 PolarHBondContact O-N 3.41Å; K113-E115 VanDerWaalsContact C-N 3.34Å; K113-W116 PolarHBondContact O-N 3.38Å; K113-I117 HydrophobicContact CD-CD1 4.25Å; K113-I117 HydrophobicContact CG-CD1 3.71Å; K113-I117 HydrophobicContact CG-CG1 4.36Å; K113-I117 WeakPolarHBondContact O-CG1 3.12Å; K113-I117 PolarHBondContact O-N 3.46Å
114	Q	86.3	Confident	90.5	Very high	86 Å²	86	47.9 Å²	47.9	40%	0.402	23%	0.227	S	C	.	.	H	α-helix	trans	-65.9	-38.5	-177	-69	-62.7	1.1	0	0	112.1	T110 K111 S112 I117 N118	T110-Q114 WeakPolarHBondContact O-CG 3.39Å; T110-Q114 PolarHBondContact O-N 3.12Å; K111-Q114 PolarHBondContact O-N 3.43Å; S112-Q114 VanDerWaalsContact C-N 3.32Å; S112-Q114 PolarHBondContact O-N 3.5Å; Q114-I117 PolarHBondContact O-N 3.17Å; Q114-N118 WeakPolarHBondContact O-CB 3.24Å; Q114-N118 PolarHBondContact O-N 3.15Å; Q114-N118 PolarHBondContact O-ND2 3.16Å
115	E	91.2	Very high	90.3	Very high	75 Å²	75	49.6 Å²	49.6	35%	0.35	24%	0.241	S	C	.	.	H	α-helix	trans	-58.5	-49.8	172.6	-177	175.7	-162	0	0	111.7	L31 K111 S112 K113 I117 N118 R119	L31-E115 HydrophobicContact CD2-CG 4.33Å; K111-E115 PolarHBondContact O-N 3.48Å; S112-E115 PolarHBondContact O-N 3.17Å; K113-E115 VanDerWaalsContact C-N 3.34Å; E115-I117 PolarHBondContact O-N 3.3Å; E115-N118 PolarHBondContact O-N 3.4Å; E115-R119 WeakPolarHBondContact O-CG 3.5Å; E115-R119 PolarHBondContact O-N 2.88Å; E115-R119 IonicContact OE1-CZ 2.62Å; E115-R119 IonicContact OE1-NE 2.9Å; E115-R119 IonicContact OE1-NH2 3.37Å; E115-R119 PolarHBondContact OE1-NH2 3.38Å
116	W	94.9	Very high	89.8	Confident	7 Å²	7	51.3 Å²	51.3	3%	0.027	25%	0.251	C	S	.	.	H	α-helix	trans	-58.5	-47.9	176.9	-86.4	100.3	0	0	0	112.3	L31 L35 C50 L52 L59 F93 S112 K113 L120	L31-W116 HydrophobicContact CD2-CD2 3.58Å; L31-W116 HydrophobicContact CD2-CE3 3.81Å; L31-W116 HydrophobicContact CD2-CG 4.01Å; L31-W116 HydrophobicContact CD2-CH2 4.25Å; L31-W116 HydrophobicContact CD2-CZ2 4.05Å; L31-W116 HydrophobicContact CD2-CZ3 4.15Å; L31-W116 HydrophobicContact CG-CD2 4.4Å; L31-W116 HydrophobicContact CG-CH2 4.13Å; L31-W116 HydrophobicContact CG-CZ2 3.97Å; L31-W116 HydrophobicContact CG-CZ3 4.42Å; L35-W116 HydrophobicContact CD1-CD2 3.9Å; L35-W116 HydrophobicContact CD1-CE3 4.16Å; L35-W116 HydrophobicContact CD1-CG 4.42Å; L35-W116 HydrophobicContact CD1-CH2 4.29Å; L35-W116 HydrophobicContact CD1-CZ2 4.03Å; L35-W116 HydrophobicContact CD1-CZ3 4.34Å; L35-W116 HydrophobicContact CD2-CG 4.48Å; L35-W116 HydrophobicContact CG-CZ2 4.26Å; C50-W116 HydrophobicContact CB-CH2 3.75Å; C50-W116 HydrophobicContact CB-CZ2 4.27Å; C50-W116 HydrophobicContact CB-CZ3 4.37Å; L52-W116 HydrophobicContact CB-CH2 4.44Å; L52-W116 HydrophobicContact CB-CZ3 3.93Å; L52-W116 HydrophobicContact CD2-CE3 4.47Å; L52-W116 HydrophobicContact CD2-CZ3 4.31Å; L59-W116 HydrophobicContact CD1-CH2 4.35Å; L59-W116 HydrophobicContact CD1-CZ3 3.7Å; F93-W116 HydrophobicContact CE1-CB 4.21Å; F93-W116 HydrophobicContact CE2-CB 4.43Å; F93-W116 HydrophobicContact CZ-CB 3.8Å; F93-W116 HydrophobicContact CZ-CG 4.2Å; S112-W116 VanDerWaalsContact O-CD1 3.24Å; S112-W116 PolarHBondContact O-N 2.9Å; K113-W116 PolarHBondContact O-N 3.38Å; W116-L120 HydrophobicContact CE3-CD1 4.29Å; W116-L120 HydrophobicContact CE3-CG 4.46Å; W116-L120 VanDerWaalsContact O-CB 3.28Å; W116-L120 WeakPolarHBondContact O-CB 3.36Å; W116-L120 WeakPolarHBondContact O-CD1 3.4Å; W116-L120 WeakPolarHBondContact O-CG 3.21Å; W116-L120 PolarHBondContact O-N 3.08Å
117	I	91.9	Very high	89.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-47.1	180	-71.5	175.3	0	0	0	111.1	I83 P85 F93 K113 Q114 E115 L120 R121	I83-I117 HydrophobicContact CG2-CB 4.34Å; I83-I117 HydrophobicContact CG2-CG1 4.13Å; I83-I117 HydrophobicContact CG2-CG2 4.01Å; P85-I117 HydrophobicContact CB-CD1 3.79Å; F93-I117 HydrophobicContact CB-CD1 3.82Å; F93-I117 HydrophobicContact CB-CG1 3.95Å; F93-I117 HydrophobicContact CD1-CG1 4.45Å; F93-I117 HydrophobicContact CD2-CG1 4.23Å; F93-I117 HydrophobicContact CG-CD1 4.3Å; F93-I117 HydrophobicContact CG-CG1 3.97Å; K113-I117 HydrophobicContact CD-CD1 4.25Å; K113-I117 HydrophobicContact CG-CD1 3.71Å; K113-I117 HydrophobicContact CG-CG1 4.36Å; K113-I117 WeakPolarHBondContact O-CG1 3.12Å; K113-I117 PolarHBondContact O-N 3.46Å; Q114-I117 PolarHBondContact O-N 3.17Å; E115-I117 PolarHBondContact O-N 3.3Å; I117-L120 PolarHBondContact O-N 3.02Å; I117-R121 HydrophobicContact CG2-CG 4.46Å; I117-R121 WeakPolarHBondContact O-CB 3.38Å; I117-R121 VanDerWaalsContact O-CG 3.31Å; I117-R121 WeakPolarHBondContact O-CG 3.48Å; I117-R121 PolarHBondContact O-N 3.46Å
118	N	87.8	Confident	88.7	Confident	62 Å²	62	50.2 Å²	50.2	33%	0.332	25%	0.247	S	C	.	.	H	α-helix	trans	-64.9	-44	-177	-70.6	-14.6	0	0	0	111.5	M27 Q114 E115 T122	M27-N118 HydrophobicContact CE-CB 3.56Å; M27-N118 HydrophobicContact SD-CB 4.2Å; Q114-N118 WeakPolarHBondContact O-CB 3.24Å; Q114-N118 PolarHBondContact O-N 3.15Å; Q114-N118 PolarHBondContact O-ND2 3.16Å; E115-N118 PolarHBondContact O-N 3.4Å; N118-T122 WeakPolarHBondContact O-CB 3.37Å; N118-T122 PolarHBondContact O-N 3.14Å; N118-T122 PolarHBondContact O-OG1 2.86Å
119	R	91.3	Very high	88.2	Confident	24 Å²	24	47.7 Å²	47.7	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-67	-43.5	176.8	-66.9	-157.2	-159.7	-165.9	5	112.4	M27 Q29 L31 L52 E115 R121 T122 I123	M27-R119 HydrophobicContact SD-CG 3.75Å; Q29-R119 PolarHBondContact O-NH1 3.45Å; L31-R119 HydrophobicContact CD2-CG 4.49Å; L52-R119 HydrophobicContact CD2-CB 3.81Å; E115-R119 WeakPolarHBondContact O-CG 3.5Å; E115-R119 PolarHBondContact O-N 2.88Å; E115-R119 IonicContact OE1-CZ 2.62Å; E115-R119 IonicContact OE1-NE 2.9Å; E115-R119 IonicContact OE1-NH2 3.37Å; E115-R119 PolarHBondContact OE1-NH2 3.38Å; R119-R121 PolarHBondContact O-N 2.74Å; R119-T122 PolarHBondContact O-N 2.94Å; R119-I123 WeakPolarHBondContact O-CB 3.33Å; R119-I123 WeakPolarHBondContact O-CG1 3.27Å; R119-I123 PolarHBondContact O-N 3.06Å
120	L	94.4	Very high	87.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-44.4	177.7	-74	166.2	0	0	0	111.9	L52 L59 L78 I83 F93 V95 W116 I117 A124	L52-L120 HydrophobicContact CD1-CD2 3.65Å; L52-L120 HydrophobicContact CD2-CD2 3.93Å; L52-L120 HydrophobicContact CD2-CG 4.09Å; L52-L120 HydrophobicContact CG-CD2 4.41Å; L59-L120 HydrophobicContact CB-CD2 4.26Å; L59-L120 HydrophobicContact CD1-CD2 4.47Å; L59-L120 HydrophobicContact CD2-CD2 4.05Å; L59-L120 HydrophobicContact CG-CD2 4.5Å; L78-L120 HydrophobicContact CD1-CD2 3.65Å; L78-L120 HydrophobicContact CD2-CD2 4Å; I83-L120 HydrophobicContact CD1-CB 4.44Å; I83-L120 HydrophobicContact CG1-CB 3.82Å; F93-L120 HydrophobicContact CD2-CD1 4.38Å; F93-L120 HydrophobicContact CE2-CD1 3.7Å; V95-L120 HydrophobicContact CG2-CD1 3.82Å; W116-L120 HydrophobicContact CE3-CD1 4.29Å; W116-L120 HydrophobicContact CE3-CG 4.46Å; W116-L120 VanDerWaalsContact O-CB 3.28Å; W116-L120 WeakPolarHBondContact O-CB 3.36Å; W116-L120 WeakPolarHBondContact O-CD1 3.4Å; W116-L120 WeakPolarHBondContact O-CG 3.21Å; W116-L120 PolarHBondContact O-N 3.08Å; I117-L120 PolarHBondContact O-N 3.02Å; L120-A124 WeakPolarHBondContact O-CB 3.47Å; L120-A124 PolarHBondContact O-N 3.1Å
121	R	91.3	Very high	86.9	Confident	94 Å²	94	54.3 Å²	54.3	36%	0.355	25%	0.248	S	C	.	.	H	α-helix	trans	-64.3	-44.2	176.9	-75.6	175.2	172	172.9	-7	112.4	I83 I117 R119 A124 N125	I83-R121 HydrophobicContact CB-CG 3.78Å; I83-R121 HydrophobicContact CD1-CG 4.14Å; I83-R121 HydrophobicContact CG1-CG 4.1Å; I83-R121 HydrophobicContact CG2-CG 4.25Å; I83-R121 PolarHBondContact O-NE 3.45Å; I83-R121 PolarHBondContact O-NH2 3.07Å; I117-R121 HydrophobicContact CG2-CG 4.46Å; I117-R121 WeakPolarHBondContact O-CB 3.38Å; I117-R121 VanDerWaalsContact O-CG 3.31Å; I117-R121 WeakPolarHBondContact O-CG 3.48Å; I117-R121 PolarHBondContact O-N 3.46Å; R119-R121 PolarHBondContact O-N 2.74Å; R121-A124 PolarHBondContact O-N 2.66Å; R121-N125 WeakPolarHBondContact O-CB 3.21Å; R121-N125 VanDerWaalsContact O-CG 3.3Å; R121-N125 PolarHBondContact O-N 3.47Å
122	T	86.8	Confident	85.9	Confident	32 Å²	32	51.3 Å²	51.3	20%	0.196	24%	0.235	C	C	.	.	H	α-helix	trans	-60	-49	178.8	-56.8	0	0	0	0	110.7	M27 N118 R119 N125 D126	M27-T122 HydrophobicContact CB-CG2 4.23Å; N118-T122 WeakPolarHBondContact O-CB 3.37Å; N118-T122 PolarHBondContact O-N 3.14Å; N118-T122 PolarHBondContact O-OG1 2.86Å; R119-T122 PolarHBondContact O-N 2.94Å; T122-N125 PolarHBondContact O-N 3.23Å; T122-D126 WeakPolarHBondContact O-CB 3.49Å; T122-D126 PolarHBondContact O-N 3.47Å
123	I	90.5	Very high	84.6	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-66	-42.2	179.3	-67.3	166.2	0	0	0	111.5	L52 P54 L78 R119 N125 D126 H127	L52-I123 HydrophobicContact CD1-CD1 3.72Å; L52-I123 HydrophobicContact CD2-CD1 3.67Å; L52-I123 HydrophobicContact CG-CD1 3.5Å; L52-I123 VanDerWaalsContact CG-CD1 3.5Å; P54-I123 HydrophobicContact CB-CD1 3.74Å; P54-I123 HydrophobicContact CB-CG1 4Å; L78-I123 HydrophobicContact CD1-CG2 4.06Å; R119-I123 WeakPolarHBondContact O-CB 3.33Å; R119-I123 WeakPolarHBondContact O-CG1 3.27Å; R119-I123 PolarHBondContact O-N 3.06Å; I123-N125 VanDerWaalsContact C-N 3.32Å; I123-N125 PolarHBondContact O-N 3.33Å; I123-D126 PolarHBondContact O-N 3.5Å; I123-H127 PolarHBondContact O-CD2 2.68Å; I123-H127 PolarHBondContact O-N 3.2Å
124	A	88.2	Confident	83.1	Confident	2 Å²	2	61.8 Å²	61.8	2%	0.017	28%	0.283	C	S	.	.	H	α-helix	trans	-58.9	-43.9	177.1	0	0	0	0	0	112	L78 I83 L120 R121 A128	L78-A124 HydrophobicContact CB-CB 4.27Å; L78-A124 VanDerWaalsContact O-CA 3.24Å; L78-A124 WeakPolarHBondContact O-CA 3.26Å; L78-A124 WeakPolarHBondContact O-CB 3.49Å; I83-A124 HydrophobicContact CD1-CB 4.06Å; L120-A124 WeakPolarHBondContact O-CB 3.47Å; L120-A124 PolarHBondContact O-N 3.1Å; R121-A124 PolarHBondContact O-N 2.66Å; A124-A128 WeakPolarHBondContact O-CB 3.48Å; A124-A128 PolarHBondContact O-N 3.28Å
125	N	85.5	Confident	81.4	Confident	106 Å²	106	61.6 Å²	61.6	57%	0.567	28%	0.284	S	S	*	.	H	α-helix	trans	-67.8	-46.6	177.4	-73.8	-14	0	0	0	112.1	R121 T122 I123 H127 A128 E129	R121-N125 WeakPolarHBondContact O-CB 3.21Å; R121-N125 VanDerWaalsContact O-CG 3.3Å; R121-N125 PolarHBondContact O-N 3.47Å; T122-N125 PolarHBondContact O-N 3.23Å; I123-N125 VanDerWaalsContact C-N 3.32Å; I123-N125 PolarHBondContact O-N 3.33Å; N125-H127 VanDerWaalsContact C-N 3.3Å; N125-H127 PolarHBondContact O-N 2.84Å; N125-A128 PolarHBondContact O-N 2.87Å; N125-E129 WeakPolarHBondContact O-CB 3.28Å; N125-E129 PolarHBondContact O-N 3.44Å
126	D	84.8	Confident	79.2	Confident	36 Å²	36	63.3 Å²	63.3	19%	0.193	30%	0.296	C	S	.	.	H	α-helix	trans	-57.6	-43.3	179	-89.6	1.3	0	0	0	111.4	R28 T122 I123 R130	R28-D126 IonicContact CZ-OD2 3.9Å; R28-D126 IonicContact NE-OD2 2.71Å; R28-D126 PolarHBondContact NE-OD2 2.98Å; R28-D126 IonicContact NH2-OD1 2.65Å; R28-D126 IonicContact NH2-OD2 3.8Å; R28-D126 PolarHBondContact NH2-OD2 3.28Å; R28-D126 VanDerWaalsContact NH2-OD2 3.09Å; T122-D126 WeakPolarHBondContact O-CB 3.49Å; T122-D126 PolarHBondContact O-N 3.47Å; I123-D126 PolarHBondContact O-N 3.5Å; D126-R130 WeakPolarHBondContact O-CG 3.38Å; D126-R130 PolarHBondContact O-N 3.04Å
127	H	86.9	Confident	76.6	Confident	32 Å²	32	65.9 Å²	65.9	15%	0.148	32%	0.315	C	S	.	.	H	α-helix	trans	-72.7	-35.1	177.6	-82.4	-96.7	0	0	0	113	P54 A55 K56 G57 A79 I123 N125 R131	P54-H127 PolarHBondContact O-NE2 2.84Å; A55-H127 PolarHBondContact O-CE1 3.35Å; K56-H127 VanDerWaalsContact C-CE1 3.45Å; G57-H127 VanDerWaalsContact CA-CE1 3.47Å; G57-H127 WeakPolarHBondContact CA-CE1 3.31Å; G57-H127 VanDerWaalsContact CA-NE2 3.26Å; G57-H127 WeakPolarHBondContact CA-NE2 3.4Å; G57-H127 PolarHBondContact N-CE1 3Å; G57-H127 VanDerWaalsContact N-CE1 3.29Å; G57-H127 PolarHBondContact N-NE2 2.85Å; A79-H127 HydrophobicContact CB-CB 4.12Å; I123-H127 PolarHBondContact O-CD2 2.68Å; I123-H127 PolarHBondContact O-N 3.2Å; N125-H127 VanDerWaalsContact C-N 3.3Å; N125-H127 PolarHBondContact O-N 2.84Å; H127-R131 WeakPolarHBondContact O-CB 3.15Å; H127-R131 PolarHBondContact O-N 2.89Å
128	A	80.8	Confident	74	Confident	16 Å²	16	72.6 Å²	72.6	13%	0.132	35%	0.351	C	S	.	.	H	α-helix	trans	-62.9	-43.3	172.6	0	0	0	0	0	111.6	A124 N125 R131 K132	A124-A128 WeakPolarHBondContact O-CB 3.48Å; A124-A128 PolarHBondContact O-N 3.28Å; N125-A128 PolarHBondContact O-N 2.87Å; A128-R131 WeakPolarHBondContact O-CB 3.29Å; A128-R131 PolarHBondContact O-N 2.86Å; A128-K132 WeakPolarHBondContact O-CG 3.38Å; A128-K132 PolarHBondContact O-N 2.85Å
129	E	79.6	Confident	71.4	Confident	87 Å²	87	75.8 Å²	75.8	41%	0.407	37%	0.367	S	S	.	.	H	α-helix	trans	-68.8	-42	178.1	-75.7	-60.2	134.9	0	0	112.7	N125 R131 K132 K133	N125-E129 WeakPolarHBondContact O-CB 3.28Å; N125-E129 PolarHBondContact O-N 3.44Å; E129-R131 PolarHBondContact O-N 2.58Å; E129-K132 PolarHBondContact O-N 2.89Å; E129-K132 IonicContact OE1-NZ 3.7Å; E129-K132 PolarHBondContact OE1-NZ 2.98Å; E129-K133 PolarHBondContact O-N 2.89Å
130	R	78.2	Confident	68.4	Low	130 Å²	130	81.3 Å²	81.3	49%	0.491	40%	0.397	S	S	.	.	H	α-helix	trans	-59	-38.8	172.2	-75.3	178	-168.6	172.3	4.4	111.7	D126 K133 N134	D126-R130 WeakPolarHBondContact O-CG 3.38Å; D126-R130 PolarHBondContact O-N 3.04Å; R130-K133 PolarHBondContact O-N 3.16Å; R130-N134 WeakPolarHBondContact O-CB 3.38Å; R130-N134 PolarHBondContact O-N 2.98Å
131	R	66.3	Low	65.3	Low	144 Å²	144	87 Å²	87	54%	0.543	43%	0.431	S	S	.	.	H	α-helix	trans	-64.4	-41.5	177.2	-154.3	176.6	-148.1	148.4	5.1	111.5	A79 H127 A128 E129 L135	A79-R131 VanDerWaalsContact CB-NH1 3.35Å; H127-R131 WeakPolarHBondContact O-CB 3.15Å; H127-R131 PolarHBondContact O-N 2.89Å; A128-R131 WeakPolarHBondContact O-CB 3.29Å; A128-R131 PolarHBondContact O-N 2.86Å; E129-R131 PolarHBondContact O-N 2.58Å; R131-L135 VanDerWaalsContact O-CD1 3.3Å; R131-L135 WeakPolarHBondContact O-CD1 3.44Å; R131-L135 WeakPolarHBondContact O-CG 3.33Å; R131-L135 PolarHBondContact O-N 3.35Å; R131-L135 VanDerWaalsContact O-N 3.1Å
132	K	64.8	Low	62.1	Low	111 Å²	111	93.7 Å²	93.7	48%	0.483	46%	0.457	S	S	.	.	H	α-helix	trans	-63.2	-45.8	173	-69.6	178.2	-170.3	166.7	0	112.3	A128 E129 N134 L135 D136	A128-K132 WeakPolarHBondContact O-CG 3.38Å; A128-K132 PolarHBondContact O-N 2.85Å; E129-K132 PolarHBondContact O-N 2.89Å; E129-K132 IonicContact OE1-NZ 3.7Å; E129-K132 PolarHBondContact OE1-NZ 2.98Å; K132-N134 VanDerWaalsContact C-N 3.33Å; K132-N134 PolarHBondContact O-N 3.49Å; K132-L135 WeakPolarHBondContact O-CA 3.29Å; K132-L135 VanDerWaalsContact O-CB 3.29Å; K132-L135 WeakPolarHBondContact O-CB 3.38Å; K132-L135 PolarHBondContact O-N 3.22Å; K132-D136 PolarHBondContact O-N 2.91Å
133	K	63.5	Low	59.2	Low	143 Å²	143	98.1 Å²	98.1	62%	0.622	48%	0.484	S	S	*	.	H	α-helix	trans	-62.7	-39.3	178.3	-72.6	-177.5	180	-178	0	112.8	E129 R130 L135 D136 S137	E129-K133 PolarHBondContact O-N 2.89Å; R130-K133 PolarHBondContact O-N 3.16Å; K133-L135 VanDerWaalsContact C-N 3.28Å; K133-L135 PolarHBondContact O-N 3.36Å; K133-D136 PolarHBondContact O-N 2.79Å; K133-S137 PolarHBondContact O-N 3.46Å; K133-S137 PolarHBondContact O-OG 2.81Å
134	N	59.9	Low	56.1	Low	107 Å²	107	103.2 Å²	103.2	57%	0.572	52%	0.517	S	S	*	.	H	α-helix	trans	-65.5	-33	173.9	-73.2	-3.7	0	0	0	112	R130 K132 S137 D138	R130-N134 WeakPolarHBondContact O-CB 3.38Å; R130-N134 PolarHBondContact O-N 2.98Å; K132-N134 VanDerWaalsContact C-N 3.33Å; K132-N134 PolarHBondContact O-N 3.49Å; N134-S137 VanDerWaalsContact CA-OG 3.29Å; N134-S137 WeakPolarHBondContact CA-OG 3.46Å; N134-S137 PolarHBondContact O-OG 3.11Å; N134-D138 PolarHBondContact O-N 3.01Å
135	L	51.1	Low	53.2	Low	83 Å²	83	112.4 Å²	112.4	44%	0.435	56%	0.56	S	S	.	*	H	α-helix	trans	-66.7	-39.1	172.4	-78.9	150.9	0	0	0	112	R131 K132 K133	R131-L135 VanDerWaalsContact O-CD1 3.3Å; R131-L135 WeakPolarHBondContact O-CD1 3.44Å; R131-L135 WeakPolarHBondContact O-CG 3.33Å; R131-L135 PolarHBondContact O-N 3.35Å; R131-L135 VanDerWaalsContact O-N 3.1Å; K132-L135 WeakPolarHBondContact O-CA 3.29Å; K132-L135 VanDerWaalsContact O-CB 3.29Å; K132-L135 WeakPolarHBondContact O-CB 3.38Å; K132-L135 PolarHBondContact O-N 3.22Å; K133-L135 VanDerWaalsContact C-N 3.28Å; K133-L135 PolarHBondContact O-N 3.36Å
136	D	43.9	Very low	50.5	Low	111 Å²	111	113.7 Å²	113.7	59%	0.594	57%	0.571	S	S	*	*	H	α-helix	trans	-73.2	-33.5	178.3	-74.3	-23.4	0	0	0	112.4	K132 K133 D138 L139	K132-D136 PolarHBondContact O-N 2.91Å; K133-D136 PolarHBondContact O-N 2.79Å; D136-D138 VanDerWaalsContact C-N 3.29Å; D136-D138 PolarHBondContact O-N 2.8Å; D136-L139 PolarHBondContact O-N 3.44Å; D136-L139 VanDerWaalsContact O-N 3.1Å
137	S	41.6	Very low	47.9	Very low	61 Å²	61	117 Å²	117	43%	0.427	60%	0.597	S	S	.	*	H	α-helix	trans	-67.4	-28.1	177.5	54.2	0	0	0	0	113.5	K133 N134 L139	K133-S137 PolarHBondContact O-N 3.46Å; K133-S137 PolarHBondContact O-OG 2.81Å; N134-S137 VanDerWaalsContact CA-OG 3.29Å; N134-S137 WeakPolarHBondContact CA-OG 3.46Å; N134-S137 PolarHBondContact O-OG 3.11Å; S137-L139 PolarHBondContact O-N 3.38Å
138	D	36.3	Very low	45.2	Very low	141 Å²	141	122.5 Å²	122.5	75%	0.754	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-8.8	174.3	-75.8	-13.3	0	0	0	112.6	N134 D136	N134-D138 PolarHBondContact O-N 3.01Å; D136-D138 VanDerWaalsContact C-N 3.29Å; D136-D138 PolarHBondContact O-N 2.8Å
139	L	34.7	Very low	42.9	Very low	128 Å²	128	129.2 Å²	129.2	67%	0.67	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	18.9	-177.2	-68.6	172.6	0	0	0	113.8	D136 S137 V141	D136-L139 PolarHBondContact O-N 3.44Å; D136-L139 VanDerWaalsContact O-N 3.1Å; S137-L139 PolarHBondContact O-N 3.38Å; L139-V141 PolarHBondContact O-N 2.97Å
140	I	27.7	Very low	40.8	Very low	141 Å²	141	131.2 Å²	131.2	72%	0.723	68%	0.679	S	S	*	*			trans	-72.3	69.2	171.1	-50.9	175.1	0	0	0	109.8
141	V	28.8	Very low	38.6	Very low	118 Å²	118	133.6 Å²	133.6	72%	0.715	69%	0.689	S	S	*	*			trans	-109	110.7	155.5	177.1	0	0	0	0	106.1	L139 T143	L139-V141 PolarHBondContact O-N 2.97Å; V141-T143 PolarHBondContact O-N 2.99Å
142	R	23.8	Very low	36.9	Very low	236 Å²	236	137 Å²	137	89%	0.891	70%	0.702	S	S	*	*			trans	-54.7	119.1	177.8	-63.8	177.3	173.8	-156.6	-2.2	110.2
143	T	27.1	Very low	35.6	Very low	125 Å²	125	133.8 Å²	133.8	77%	0.767	70%	0.701	S	S	*	*			trans	-149.9	143.1	160.5	-15.3	0	0	0	0	110.6	V141	V141-T143 PolarHBondContact O-N 2.99Å
144	P	25.6	Very low	34.6	Very low	110 Å²	110	129.1 Å²	129.1	71%	0.714	69%	0.685	S	S	*	*			trans	-91.5	164.3	-153.2	34.6	-29.5	0	0	0	114.6	V146	P144-V146 PolarHBondContact O-N 2.93Å
145	Q	26	Very low	33.8	Very low	194 Å²	194	126.8 Å²	126.8	91%	0.907	68%	0.68	S	S	*	*			trans	-43.6	111.3	177.4	-60	-80.7	-46.3	0	0	113.4
146	V	28.7	Very low	33.4	Very low	133 Å²	133	128.1 Å²	128.1	81%	0.806	69%	0.687	S	S	*	*			trans	-140.3	139.7	160.9	-177.6	0	0	0	0	109.1	P144	P144-V146 PolarHBondContact O-N 2.93Å
147	S	30.8	Very low	33.6	Very low	107 Å²	107	127.4 Å²	127.4	75%	0.748	68%	0.68	S	S	*	*			trans	-52	139.2	-159.6	59.3	0	0	0	0	118.2	N149	S147-N149 PolarHBondContact O-N 3.06Å
148	D	30.8	Very low	34.2	Very low	147 Å²	147	127.2 Å²	127.2	79%	0.786	68%	0.683	S	S	*	*	S	Bend	trans	-52.8	120.3	159	-69.3	-48.2	0	0	0	111
149	N	32.9	Very low	35	Very low	156 Å²	156	124.2 Å²	124.2	83%	0.834	67%	0.669	S	S	*	*	S	Bend	trans	169.4	2	130.8	-86.5	-20	0	0	0	116.4	S147	S147-N149 PolarHBondContact O-N 3.06Å
150	V	33.9	Very low	35.9	Very low	129 Å²	129	120.5 Å²	120.5	78%	0.782	66%	0.657	S	S	*	*	S	Bend	trans	-123.9	-17.8	-178.8	-173.6	0	0	0	0	115
151	Y	32.9	Very low	37.6	Very low	180 Å²	180	116.5 Å²	116.5	71%	0.706	64%	0.635	S	S	*	*			trans	-98.6	6.1	-169.7	-80.8	-90.5	0	0	0	116.9	G153 T154 A155	Y151-G153 VanDerWaalsContact C-N 3.29Å; Y151-G153 PolarHBondContact O-N 2.83Å; Y151-T154 WeakPolarHBondContact CD1-OG1 3.48Å; Y151-T154 PolarHBondContact O-N 2.79Å; Y151-T154 PolarHBondContact O-OG1 2.62Å; Y151-A155 WeakPolarHBondContact O-CB 3.18Å; Y151-A155 PolarHBondContact O-N 2.91Å
152	R	31.3	Very low	39.1	Very low	215 Å²	215	112.4 Å²	112.4	81%	0.811	62%	0.616	S	S	*	*	H	α-helix	trans	-64.1	-33.3	-176.5	-152.2	-175.5	-117.3	-167.5	1.7	112.6	L156	R152-L156 HydrophobicContact CG-CD1 4.4Å; R152-L156 WeakPolarHBondContact O-CB 3.23Å; R152-L156 WeakPolarHBondContact O-CD1 3.32Å; R152-L156 PolarHBondContact O-N 2.94Å
153	G	35.8	Very low	41.1	Very low	44 Å²	44	105.1 Å²	105.1	45%	0.454	60%	0.595	S	S	.	*	H	α-helix	trans	-68.4	-46.6	176.4	0	0	0	0	0	113.3	Y151 Q157	Y151-G153 VanDerWaalsContact C-N 3.29Å; Y151-G153 PolarHBondContact O-N 2.83Å; G153-Q157 VanDerWaalsContact O-CG 3.25Å; G153-Q157 WeakPolarHBondContact O-CG 3.09Å; G153-Q157 PolarHBondContact O-N 2.89Å; G153-Q157 VanDerWaalsContact O-N 3.08Å
154	T	43.9	Very low	43.1	Very low	46 Å²	46	101.5 Å²	101.5	28%	0.282	57%	0.572	S	S	.	*	H	α-helix	trans	-73.1	-34.8	-178.7	44.5	0	0	0	0	112.9	Y151 Q157 A158	Y151-T154 WeakPolarHBondContact CD1-OG1 3.48Å; Y151-T154 PolarHBondContact O-N 2.79Å; Y151-T154 PolarHBondContact O-OG1 2.62Å; T154-Q157 PolarHBondContact O-N 3.49Å; T154-A158 WeakPolarHBondContact O-CB 3.44Å; T154-A158 PolarHBondContact O-N 3.19Å
155	A	43.4	Very low	45.3	Very low	58 Å²	58	101.6 Å²	101.6	48%	0.479	56%	0.563	S	S	.	*	H	α-helix	trans	-67.1	-41.9	177.2	0	0	0	0	0	111.6	Y151 A158 T159	Y151-A155 WeakPolarHBondContact O-CB 3.18Å; Y151-A155 PolarHBondContact O-N 2.91Å; A155-A158 PolarHBondContact O-N 3.42Å; A155-T159 PolarHBondContact O-N 3.2Å; A155-T159 PolarHBondContact O-OG1 2.73Å
156	L	40.9	Very low	47.2	Very low	111 Å²	111	98.1 Å²	98.1	58%	0.581	55%	0.545	S	S	*	.	H	α-helix	trans	-63.6	-40.2	173.6	-85.4	163.4	0	0	0	112	R152 T159 A160	R152-L156 HydrophobicContact CG-CD1 4.4Å; R152-L156 WeakPolarHBondContact O-CB 3.23Å; R152-L156 WeakPolarHBondContact O-CD1 3.32Å; R152-L156 PolarHBondContact O-N 2.94Å; L156-T159 VanDerWaalsContact CA-OG1 3.31Å; L156-T159 WeakPolarHBondContact CA-OG1 3.3Å; L156-T159 PolarHBondContact O-N 2.87Å; L156-T159 PolarHBondContact O-OG1 2.81Å; L156-T159 VanDerWaalsContact O-OG1 3.1Å; L156-A160 VanDerWaalsContact O-CB 3.29Å; L156-A160 WeakPolarHBondContact O-CB 3.29Å; L156-A160 PolarHBondContact O-N 2.89Å
157	Q	49.3	Very low	49.5	Very low	95 Å²	95	96.2 Å²	96.2	44%	0.444	53%	0.529	S	S	.	.	H	α-helix	trans	-63.9	-51.1	175	-73.7	165	-2.1	0	0	110.9	G153 T154 T159 A160 F161	G153-Q157 VanDerWaalsContact O-CG 3.25Å; G153-Q157 WeakPolarHBondContact O-CG 3.09Å; G153-Q157 PolarHBondContact O-N 2.89Å; G153-Q157 VanDerWaalsContact O-N 3.08Å; T154-Q157 PolarHBondContact O-N 3.49Å; Q157-T159 VanDerWaalsContact C-N 3.27Å; Q157-T159 PolarHBondContact O-N 2.92Å; Q157-A160 WeakPolarHBondContact O-CB 3.44Å; Q157-A160 PolarHBondContact O-N 2.88Å; Q157-F161 HydrophobicContact CB-CD2 4.44Å; Q157-F161 HydrophobicContact CB-CE2 4.41Å; Q157-F161 WeakPolarHBondContact O-CD2 3.4Å; Q157-F161 PolarHBondContact O-N 3.02Å
158	A	54.7	Low	51.9	Low	58 Å²	58	92.5 Å²	92.5	48%	0.479	50%	0.501	S	S	.	.	H	α-helix	trans	-57.4	-39.9	178.4	0	0	0	0	0	112.3	T154 A155 G162	T154-A158 WeakPolarHBondContact O-CB 3.44Å; T154-A158 PolarHBondContact O-N 3.19Å; A155-A158 PolarHBondContact O-N 3.42Å; A158-G162 PolarHBondContact O-N 3.29Å
159	T	51.6	Low	54.1	Low	78 Å²	78	88.3 Å²	88.3	48%	0.479	48%	0.481	S	S	.	.	H	α-helix	trans	-68.3	-41.9	173.4	28.7	0	0	0	0	112.6	A155 L156 Q157 F161 G162 N163	A155-T159 PolarHBondContact O-N 3.2Å; A155-T159 PolarHBondContact O-OG1 2.73Å; L156-T159 VanDerWaalsContact CA-OG1 3.31Å; L156-T159 WeakPolarHBondContact CA-OG1 3.3Å; L156-T159 PolarHBondContact O-N 2.87Å; L156-T159 PolarHBondContact O-OG1 2.81Å; L156-T159 VanDerWaalsContact O-OG1 3.1Å; Q157-T159 VanDerWaalsContact C-N 3.27Å; Q157-T159 PolarHBondContact O-N 2.92Å; T159-F161 PolarHBondContact O-N 3.39Å; T159-G162 PolarHBondContact O-N 2.97Å; T159-N163 WeakPolarHBondContact O-CB 3.49Å; T159-N163 PolarHBondContact O-N 3.44Å; T159-N163 PolarHBondContact O-ND2 2.9Å; T159-N163 PolarHBondContact O-OD1 3.34Å
160	A	54.7	Low	56.3	Low	50 Å²	50	83.1 Å²	83.1	41%	0.413	46%	0.459	S	S	.	.	H	α-helix	trans	-60.2	-44.2	176.1	0	0	0	0	0	111.9	L156 Q157 N163 V164	L156-A160 VanDerWaalsContact O-CB 3.29Å; L156-A160 WeakPolarHBondContact O-CB 3.29Å; L156-A160 PolarHBondContact O-N 2.89Å; Q157-A160 WeakPolarHBondContact O-CB 3.44Å; Q157-A160 PolarHBondContact O-N 2.88Å; A160-N163 WeakPolarHBondContact O-CB 3.37Å; A160-N163 PolarHBondContact O-N 3.45Å; A160-V164 WeakPolarHBondContact O-CG2 3.49Å; A160-V164 PolarHBondContact O-N 2.94Å
161	F	62.4	Low	58.6	Low	57 Å²	57	78.5 Å²	78.5	25%	0.25	43%	0.434	C	S	.	.	H	α-helix	trans	-67.9	-40.2	176.1	-76.9	-75.8	0	0	0	112.9	Q157 T159 N163 V164 H165 L220 Q224	Q157-F161 HydrophobicContact CB-CD2 4.44Å; Q157-F161 HydrophobicContact CB-CE2 4.41Å; Q157-F161 WeakPolarHBondContact O-CD2 3.4Å; Q157-F161 PolarHBondContact O-N 3.02Å; T159-F161 PolarHBondContact O-N 3.39Å; F161-N163 PolarHBondContact O-N 3.39Å; F161-V164 PolarHBondContact O-N 2.93Å; F161-H165 PolarHBondContact O-N 3.47Å; F161-L220 HydrophobicContact CE1-CB 3.72Å; F161-L220 WeakPolarHBondContact CE1-O 3.42Å; F161-Q224 HydrophobicContact CE1-CB 4.37Å; F161-Q224 HydrophobicContact CE2-CB 4.21Å; F161-Q224 HydrophobicContact CE2-CG 4.19Å; F161-Q224 HydrophobicContact CZ-CB 3.91Å; F161-Q224 HydrophobicContact CZ-CG 4.39Å
162	G	60.9	Low	61	Low	31 Å²	31	72 Å²	72	32%	0.32	42%	0.416	S	S	.	.	H	α-helix	trans	-57.3	-39.2	170.7	0	0	0	0	0	111.8	A158 T159 H165 K166	A158-G162 PolarHBondContact O-N 3.29Å; T159-G162 PolarHBondContact O-N 2.97Å; G162-H165 PolarHBondContact O-N 3.41Å; G162-K166 VanDerWaalsContact O-CG 3.31Å; G162-K166 WeakPolarHBondContact O-CG 3.43Å; G162-K166 PolarHBondContact O-N 2.76Å; G162-K166 VanDerWaalsContact O-N 3.09Å
163	N	64.7	Low	63.5	Low	84 Å²	84	67.8 Å²	67.8	45%	0.449	41%	0.405	S	S	.	.	H	α-helix	trans	-67	-41.6	175.4	-67.2	-22.6	0	0	0	112.1	T159 A160 F161 H165 K166 I167	T159-N163 WeakPolarHBondContact O-CB 3.49Å; T159-N163 PolarHBondContact O-N 3.44Å; T159-N163 PolarHBondContact O-ND2 2.9Å; T159-N163 PolarHBondContact O-OD1 3.34Å; A160-N163 WeakPolarHBondContact O-CB 3.37Å; A160-N163 PolarHBondContact O-N 3.45Å; F161-N163 PolarHBondContact O-N 3.39Å; N163-H165 VanDerWaalsContact C-N 3.35Å; N163-H165 PolarHBondContact O-N 3.33Å; N163-K166 PolarHBondContact O-N 3.32Å; N163-I167 VanDerWaalsContact O-CG1 3.24Å; N163-I167 WeakPolarHBondContact O-CG1 3.43Å; N163-I167 PolarHBondContact O-N 2.95Å
164	V	69.5	Low	65.8	Low	48 Å²	48	72.2 Å²	72.2	29%	0.291	41%	0.414	S	S	.	.	H	α-helix	trans	-59	-46.2	175.1	172.5	0	0	0	0	111	A160 F161 K166 I167 L168 A217	A160-V164 WeakPolarHBondContact O-CG2 3.49Å; A160-V164 PolarHBondContact O-N 2.94Å; F161-V164 PolarHBondContact O-N 2.93Å; V164-K166 VanDerWaalsContact C-N 3.33Å; V164-K166 PolarHBondContact O-N 2.96Å; V164-I167 PolarHBondContact O-N 3.3Å; V164-L168 WeakPolarHBondContact O-CB 3.24Å; V164-L168 PolarHBondContact O-N 3.22Å; V164-A217 HydrophobicContact CG1-CB 3.97Å
165	H	71.3	Confident	67.8	Low	113 Å²	113	71.2 Å²	71.2	52%	0.523	41%	0.406	S	S	.	.	H	α-helix	trans	-62.9	-39.8	178.7	-171.2	65.1	0	0	0	112.4	F161 G162 N163 L168 T169	F161-H165 PolarHBondContact O-N 3.47Å; G162-H165 PolarHBondContact O-N 3.41Å; N163-H165 VanDerWaalsContact C-N 3.35Å; N163-H165 PolarHBondContact O-N 3.33Å; H165-L168 PolarHBondContact O-N 3.39Å; H165-T169 PolarHBondContact O-N 2.75Å; H165-T169 PolarHBondContact O-OG1 2.96Å
166	K	67.1	Low	69.7	Low	121 Å²	121	71 Å²	71	53%	0.526	41%	0.405	S	S	.	.	H	α-helix	trans	-64.4	-44.7	175.3	-72.9	174.8	-178.6	-178.7	0	112.1	G162 N163 V164 L168 T169 A170	G162-K166 VanDerWaalsContact O-CG 3.31Å; G162-K166 WeakPolarHBondContact O-CG 3.43Å; G162-K166 PolarHBondContact O-N 2.76Å; G162-K166 VanDerWaalsContact O-N 3.09Å; N163-K166 PolarHBondContact O-N 3.32Å; V164-K166 VanDerWaalsContact C-N 3.33Å; V164-K166 PolarHBondContact O-N 2.96Å; K166-L168 VanDerWaalsContact C-N 3.31Å; K166-L168 PolarHBondContact O-N 3.07Å; K166-T169 PolarHBondContact O-N 3.33Å; K166-A170 PolarHBondContact O-N 2.95Å
167	I	76.4	Confident	71.8	Confident	92 Å²	92	68 Å²	68	47%	0.472	39%	0.392	S	S	.	.	H	α-helix	trans	-61.3	-43.2	176.5	-68.2	164	0	0	0	110.3	N163 V164 T169 A170 A171	N163-I167 VanDerWaalsContact O-CG1 3.24Å; N163-I167 WeakPolarHBondContact O-CG1 3.43Å; N163-I167 PolarHBondContact O-N 2.95Å; V164-I167 PolarHBondContact O-N 3.3Å; I167-T169 VanDerWaalsContact C-N 3.33Å; I167-T169 PolarHBondContact O-N 2.91Å; I167-A170 PolarHBondContact O-N 3.03Å; I167-A171 WeakPolarHBondContact O-CB 3.31Å; I167-A171 PolarHBondContact O-N 3.21Å
168	L	80.6	Confident	73.5	Confident	29 Å²	29	66.3 Å²	66.3	15%	0.152	39%	0.386	C	S	.	.	H	α-helix	trans	-64.4	-39.1	179	-169.6	66.2	0	0	0	112.2	V164 H165 K166 A171 S172 L210 L213 K214 A217	V164-L168 WeakPolarHBondContact O-CB 3.24Å; V164-L168 PolarHBondContact O-N 3.22Å; H165-L168 PolarHBondContact O-N 3.39Å; K166-L168 VanDerWaalsContact C-N 3.31Å; K166-L168 PolarHBondContact O-N 3.07Å; L168-A171 PolarHBondContact O-N 3.46Å; L168-S172 WeakPolarHBondContact O-CB 3.35Å; L168-S172 PolarHBondContact O-N 2.68Å; L168-L210 HydrophobicContact CD1-CD1 4.4Å; L168-L213 HydrophobicContact CD1-CB 3.67Å; L168-K214 HydrophobicContact CD1-CG 3.88Å; L168-K214 HydrophobicContact CD2-CG 4.03Å; L168-K214 HydrophobicContact CG-CG 4.27Å; L168-A217 HydrophobicContact CD2-CB 4.01Å
169	T	78.8	Confident	75	Confident	60 Å²	60	65.9 Å²	65.9	37%	0.368	38%	0.376	S	S	.	.	H	α-helix	trans	-63.8	-49.7	175.3	-55.3	0	0	0	0	110.5	H165 K166 I167 A171 S172 E173	H165-T169 PolarHBondContact O-N 2.75Å; H165-T169 PolarHBondContact O-OG1 2.96Å; K166-T169 PolarHBondContact O-N 3.33Å; I167-T169 VanDerWaalsContact C-N 3.33Å; I167-T169 PolarHBondContact O-N 2.91Å; T169-A171 VanDerWaalsContact C-N 3.33Å; T169-A171 PolarHBondContact O-N 3.38Å; T169-S172 WeakPolarHBondContact O-CB 3.32Å; T169-S172 PolarHBondContact O-N 3.36Å; T169-S172 VanDerWaalsContact O-N 3.1Å; T169-E173 WeakPolarHBondContact O-CG 3.46Å; T169-E173 PolarHBondContact O-N 3.12Å
170	A	78.2	Confident	76.6	Confident	47 Å²	47	69.8 Å²	69.8	39%	0.388	38%	0.382	S	S	.	.	H	α-helix	trans	-60.1	-41.4	176.5	0	0	0	0	0	112.2	K166 I167 S172 E173 Q174	K166-A170 PolarHBondContact O-N 2.95Å; I167-A170 PolarHBondContact O-N 3.03Å; A170-S172 VanDerWaalsContact C-N 3.32Å; A170-S172 PolarHBondContact O-N 2.94Å; A170-E173 PolarHBondContact O-N 2.71Å; A170-Q174 VanDerWaalsContact O-CG 3.3Å; A170-Q174 WeakPolarHBondContact O-CG 3.28Å; A170-Q174 PolarHBondContact O-N 3.48Å
171	A	81.3	Confident	78.1	Confident	31 Å²	31	70.7 Å²	70.7	26%	0.256	38%	0.384	S	S	.	.	H	α-helix	trans	-62.6	-39.8	175.1	0	0	0	0	0	111.9	I167 L168 T169 Q174 H175 L210 L213	I167-A171 WeakPolarHBondContact O-CB 3.31Å; I167-A171 PolarHBondContact O-N 3.21Å; L168-A171 PolarHBondContact O-N 3.46Å; T169-A171 VanDerWaalsContact C-N 3.33Å; T169-A171 PolarHBondContact O-N 3.38Å; A171-Q174 PolarHBondContact O-N 3.04Å; A171-H175 WeakPolarHBondContact O-CB 3.16Å; A171-H175 PolarHBondContact O-N 2.97Å; A171-L210 HydrophobicContact CB-CD1 4.18Å; A171-L213 HydrophobicContact CB-CD1 4.39Å
172	S	84.7	Confident	79.2	Confident	44 Å²	44	69.2 Å²	69.2	31%	0.308	38%	0.378	S	S	.	.	H	α-helix	trans	-65.5	-40.2	176	-164.7	0	0	0	0	112.2	L168 T169 A170 H175 A176	L168-S172 WeakPolarHBondContact O-CB 3.35Å; L168-S172 PolarHBondContact O-N 2.68Å; T169-S172 WeakPolarHBondContact O-CB 3.32Å; T169-S172 PolarHBondContact O-N 3.36Å; T169-S172 VanDerWaalsContact O-N 3.1Å; A170-S172 VanDerWaalsContact C-N 3.32Å; A170-S172 PolarHBondContact O-N 2.94Å; S172-H175 PolarHBondContact O-N 2.81Å; S172-A176 PolarHBondContact O-N 2.58Å
173	E	82.8	Confident	80.3	Confident	127 Å²	127	73.1 Å²	73.1	59%	0.593	39%	0.392	S	S	*	.	H	α-helix	trans	-65.6	-42.6	175.6	-71.6	173.5	179.8	0	0	111.9	T169 A170 A176 S177	T169-E173 WeakPolarHBondContact O-CG 3.46Å; T169-E173 PolarHBondContact O-N 3.12Å; A170-E173 PolarHBondContact O-N 2.71Å; E173-A176 PolarHBondContact O-N 2.82Å; E173-S177 PolarHBondContact O-N 2.96Å
174	Q	84.3	Confident	81.3	Confident	136 Å²	136	74.7 Å²	74.7	64%	0.636	40%	0.4	S	S	*	.	H	α-helix	trans	-63.9	-41.3	175.5	-69.5	-62.6	-25.9	0	0	111.6	A170 A171 S177 L178	A170-Q174 VanDerWaalsContact O-CG 3.3Å; A170-Q174 WeakPolarHBondContact O-CG 3.28Å; A170-Q174 PolarHBondContact O-N 3.48Å; A171-Q174 PolarHBondContact O-N 3.04Å; Q174-S177 PolarHBondContact O-N 3.18Å; Q174-L178 WeakPolarHBondContact O-CB 3.22Å; Q174-L178 PolarHBondContact O-N 3.37Å
175	H	86.5	Confident	82	Confident	25 Å²	25	75 Å²	75	12%	0.116	40%	0.399	C	S	.	.	H	α-helix	trans	-60.6	-46	173.6	176.1	67.9	0	0	0	111.6	A171 S172 S177 L178 L179 S206 L210	A171-H175 WeakPolarHBondContact O-CB 3.16Å; A171-H175 PolarHBondContact O-N 2.97Å; S172-H175 PolarHBondContact O-N 2.81Å; H175-S177 PolarHBondContact O-N 3.49Å; H175-L178 WeakPolarHBondContact O-CB 3.39Å; H175-L178 PolarHBondContact O-N 3.13Å; H175-L179 WeakPolarHBondContact O-CG 3.49Å; H175-L179 PolarHBondContact O-N 2.65Å; H175-S206 PolarHBondContact CE1-OG 3.23Å; H175-S206 PolarHBondContact ND1-OG 3.34Å; H175-S206 VanDerWaalsContact ND1-OG 3.08Å; H175-L210 HydrophobicContact CB-CD2 3.99Å
176	A	83.6	Confident	82.6	Confident	55 Å²	55	72.5 Å²	72.5	46%	0.455	39%	0.393	S	S	.	.	H	α-helix	trans	-62	-41.5	176.4	0	0	0	0	0	112.4	S172 E173 L178 L179 R180	S172-A176 PolarHBondContact O-N 2.58Å; E173-A176 PolarHBondContact O-N 2.82Å; A176-L178 VanDerWaalsContact C-N 3.33Å; A176-L178 PolarHBondContact O-N 3.37Å; A176-L179 PolarHBondContact O-N 3.02Å; A176-R180 PolarHBondContact O-N 3.22Å
177	S	84.6	Confident	83.1	Confident	46 Å²	46	71.6 Å²	71.6	32%	0.322	40%	0.4	S	S	.	.	H	α-helix	trans	-62.9	-39.5	175.1	-172.2	0	0	0	0	112	E173 Q174 H175 R180 C181	E173-S177 PolarHBondContact O-N 2.96Å; Q174-S177 PolarHBondContact O-N 3.18Å; H175-S177 PolarHBondContact O-N 3.49Å; S177-R180 PolarHBondContact O-N 2.79Å; S177-C181 PolarHBondContact O-N 3.27Å; S177-C181 PolarHBondContact O-SG 3.36Å
178	L	84.8	Confident	83.4	Confident	60 Å²	60	72.2 Å²	72.2	31%	0.314	41%	0.408	S	S	.	.	H	α-helix	trans	-63.3	-42.9	176.1	179.2	66.6	0	0	0	111.4	Q174 H175 A176 C181 F182 I202	Q174-L178 WeakPolarHBondContact O-CB 3.22Å; Q174-L178 PolarHBondContact O-N 3.37Å; H175-L178 WeakPolarHBondContact O-CB 3.39Å; H175-L178 PolarHBondContact O-N 3.13Å; A176-L178 VanDerWaalsContact C-N 3.33Å; A176-L178 PolarHBondContact O-N 3.37Å; L178-C181 WeakPolarHBondContact O-CB 3.5Å; L178-C181 PolarHBondContact O-N 3.09Å; L178-F182 HydrophobicContact CD1-CE2 3.84Å; L178-F182 HydrophobicContact CD1-CZ 3.91Å; L178-F182 HydrophobicContact CD2-CE2 4.1Å; L178-F182 HydrophobicContact CG-CD2 4.2Å; L178-F182 HydrophobicContact CG-CE2 3.62Å; L178-F182 HydrophobicContact CG-CZ 4.2Å; L178-F182 VanDerWaalsContact O-CD2 3.27Å; L178-F182 WeakPolarHBondContact O-CD2 3.29Å; L178-F182 PolarHBondContact O-N 2.89Å; L178-F182 VanDerWaalsContact O-N 3.14Å; L178-I202 HydrophobicContact CD2-CG2 4.2Å
179	L	86.5	Confident	83	Confident	50 Å²	50	75.5 Å²	75.5	26%	0.262	43%	0.425	S	S	.	.	H	α-helix	trans	-60.7	-45.4	175.7	-68	-178.1	0	0	0	111.6	H175 A176 C181 F182 D183 K203	H175-L179 WeakPolarHBondContact O-CG 3.49Å; H175-L179 PolarHBondContact O-N 2.65Å; A176-L179 PolarHBondContact O-N 3.02Å; L179-C181 VanDerWaalsContact C-N 3.32Å; L179-C181 PolarHBondContact O-N 2.9Å; L179-F182 WeakPolarHBondContact O-CB 3.36Å; L179-F182 PolarHBondContact O-N 2.97Å; L179-D183 VanDerWaalsContact O-CG 3.29Å; L179-D183 PolarHBondContact O-N 2.8Å; L179-K203 HydrophobicContact CD2-CB 4.26Å; L179-K203 HydrophobicContact CD2-CD 3.85Å; L179-K203 HydrophobicContact CD2-CG 3.68Å
180	R	85.7	Confident	82.8	Confident	159 Å²	159	75 Å²	75	60%	0.6	42%	0.42	S	S	*	.	H	α-helix	trans	-59.6	-42.3	175.8	-170.5	177.6	66.6	-178.2	-1.3	112	A176 S177 F182 D183 D184	A176-R180 PolarHBondContact O-N 3.22Å; S177-R180 PolarHBondContact O-N 2.79Å; R180-F182 PolarHBondContact O-N 2.81Å; R180-D183 PolarHBondContact O-N 3.5Å; R180-D183 VanDerWaalsContact O-N 3.1Å; R180-D184 VanDerWaalsContact O-CG 3.29Å; R180-D184 PolarHBondContact O-N 3.43Å
181	C	85.9	Confident	82.8	Confident	70 Å²	70	79.1 Å²	79.1	47%	0.473	44%	0.436	S	S	.	.	H	α-helix	trans	-60.5	-32	175.3	-70.4	0	0	0	0	113.2	S177 L178 L179	S177-C181 PolarHBondContact O-N 3.27Å; S177-C181 PolarHBondContact O-SG 3.36Å; L178-C181 WeakPolarHBondContact O-CB 3.5Å; L178-C181 PolarHBondContact O-N 3.09Å; L179-C181 VanDerWaalsContact C-N 3.32Å; L179-C181 PolarHBondContact O-N 2.9Å
182	F	85.5	Confident	82.7	Confident	25 Å²	25	80 Å²	80	11%	0.11	44%	0.44	C	S	.	.	H	α-helix	trans	-74.8	-34.7	174.3	-69.8	-48.2	0	0	0	112.9	L178 L179 R180 D184 L185 V199 I202 K203	L178-F182 HydrophobicContact CD1-CE2 3.84Å; L178-F182 HydrophobicContact CD1-CZ 3.91Å; L178-F182 HydrophobicContact CD2-CE2 4.1Å; L178-F182 HydrophobicContact CG-CD2 4.2Å; L178-F182 HydrophobicContact CG-CE2 3.62Å; L178-F182 HydrophobicContact CG-CZ 4.2Å; L178-F182 VanDerWaalsContact O-CD2 3.27Å; L178-F182 WeakPolarHBondContact O-CD2 3.29Å; L178-F182 PolarHBondContact O-N 2.89Å; L178-F182 VanDerWaalsContact O-N 3.14Å; L179-F182 WeakPolarHBondContact O-CB 3.36Å; L179-F182 PolarHBondContact O-N 2.97Å; R180-F182 PolarHBondContact O-N 2.81Å; F182-D184 VanDerWaalsContact C-N 3.3Å; F182-L185 HydrophobicContact CD1-CD1 3.86Å; F182-L185 WeakPolarHBondContact O-CB 3.48Å; F182-L185 PolarHBondContact O-N 3.29Å; F182-V199 HydrophobicContact CB-CG1 4.04Å; F182-V199 HydrophobicContact CD1-CB 4.38Å; F182-V199 HydrophobicContact CD1-CG1 3.64Å; F182-V199 HydrophobicContact CD1-CG2 4.01Å; F182-V199 HydrophobicContact CD2-CG1 4.31Å; F182-V199 HydrophobicContact CE1-CB 4.49Å; F182-V199 HydrophobicContact CE1-CG1 4.1Å; F182-V199 HydrophobicContact CE1-CG2 4.08Å; F182-V199 HydrophobicContact CG-CG1 3.76Å; F182-I202 HydrophobicContact CE2-CB 4.27Å; F182-I202 HydrophobicContact CE2-CG2 3.9Å; F182-I202 HydrophobicContact CZ-CB 3.84Å; F182-I202 HydrophobicContact CZ-CD1 4.26Å; F182-I202 HydrophobicContact CZ-CG2 3.57Å; F182-K203 HydrophobicContact CD2-CD 4.2Å; F182-K203 HydrophobicContact CD2-CG 3.56Å; F182-K203 HydrophobicContact CE2-CG 3.85Å; F182-K203 HydrophobicContact CG-CG 4.42Å
183	D	83.2	Confident	82.5	Confident	114 Å²	114	82.3 Å²	82.3	61%	0.61	46%	0.456	S	S	*	.	H	α-helix	trans	-73.2	-28.3	178.5	-59.4	-19.5	0	0	0	111.3	L179 R180 L185 K203	L179-D183 VanDerWaalsContact O-CG 3.29Å; L179-D183 PolarHBondContact O-N 2.8Å; R180-D183 PolarHBondContact O-N 3.5Å; R180-D183 VanDerWaalsContact O-N 3.1Å; D183-L185 VanDerWaalsContact C-N 3.26Å; D183-L185 PolarHBondContact O-N 3.03Å; D183-K203 IonicContact OD1-NZ 2.81Å; D183-K203 PolarHBondContact OD1-NZ 2.8Å
184	D	86.7	Confident	82.3	Confident	117 Å²	117	84.3 Å²	84.3	63%	0.626	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-1.1	173.7	-66.6	-25.7	0	0	0	113.5	R180 F182	R180-D184 VanDerWaalsContact O-CG 3.29Å; R180-D184 PolarHBondContact O-N 3.43Å; F182-D184 VanDerWaalsContact C-N 3.3Å
185	L	83.2	Confident	82.1	Confident	53 Å²	53	80.4 Å²	80.4	28%	0.277	45%	0.453	S	S	.	.	S	Bend	trans	-66.8	136.2	179.2	-79.5	172	0	0	0	111.1	F182 D183 L189 L190 V199	F182-L185 HydrophobicContact CD1-CD1 3.86Å; F182-L185 WeakPolarHBondContact O-CB 3.48Å; F182-L185 PolarHBondContact O-N 3.29Å; D183-L185 VanDerWaalsContact C-N 3.26Å; D183-L185 PolarHBondContact O-N 3.03Å; L185-L189 HydrophobicContact CD2-CD1 4.19Å; L185-L190 HydrophobicContact CB-CD1 4.38Å; L185-L190 HydrophobicContact CD1-CD2 4.25Å; L185-V199 HydrophobicContact CD1-CG2 3.98Å
186	P	84.2	Confident	81.9	Confident	61 Å²	61	84.6 Å²	84.6	40%	0.396	47%	0.469	S	S	.	.			trans	-51.3	129.7	171.5	-26.1	29.8	0	0	0	111.6	T188 L189	P186-T188 PolarHBondContact O-N 3.08Å; P186-L189 HydrophobicContact CB-CD1 4.38Å; P186-L189 HydrophobicContact CB-CG 4.34Å; P186-L189 HydrophobicContact CG-CD1 4.05Å; P186-L189 WeakPolarHBondContact O-CB 3.43Å; P186-L189 PolarHBondContact O-N 3.25Å
187	P	77.9	Confident	81.6	Confident	102 Å²	102	87 Å²	87	66%	0.662	47%	0.471	S	S	*	.	H	α-helix	trans	-54.2	-31.6	177.8	-26.2	32.9	0	0	0	112.7	L189 L190 N191	P187-L189 VanDerWaalsContact C-N 3.27Å; P187-L189 PolarHBondContact O-N 2.89Å; P187-L190 PolarHBondContact O-N 3.15Å; P187-L190 VanDerWaalsContact O-N 3.09Å; P187-N191 PolarHBondContact O-N 3.23Å; P187-N191 PolarHBondContact O-OD1 3.41Å
188	T	82	Confident	81.4	Confident	106 Å²	106	87 Å²	87	65%	0.65	47%	0.474	S	S	*	.	H	α-helix	trans	-60.7	-30.4	177.1	51.1	0	0	0	0	113.9	P186	P186-T188 PolarHBondContact O-N 3.08Å
189	L	72.6	Confident	81.4	Confident	98 Å²	98	85.1 Å²	85.1	51%	0.513	47%	0.465	S	S	.	.	H	α-helix	trans	-76.1	-32	175.6	-69.6	175.4	0	0	0	111.9	L185 P186 P187 N191 S192 S195	L185-L189 HydrophobicContact CD2-CD1 4.19Å; P186-L189 HydrophobicContact CB-CD1 4.38Å; P186-L189 HydrophobicContact CB-CG 4.34Å; P186-L189 HydrophobicContact CG-CD1 4.05Å; P186-L189 WeakPolarHBondContact O-CB 3.43Å; P186-L189 PolarHBondContact O-N 3.25Å; P187-L189 VanDerWaalsContact C-N 3.27Å; P187-L189 PolarHBondContact O-N 2.89Å; L189-N191 VanDerWaalsContact C-N 3.27Å; L189-N191 PolarHBondContact O-N 2.86Å; L189-S192 PolarHBondContact O-OG 3.47Å; L189-S195 WeakPolarHBondContact O-CB 3.21Å
190	L	74.7	Confident	81.3	Confident	50 Å²	50	85.9 Å²	85.9	26%	0.262	47%	0.469	S	S	.	.	H	α-helix	trans	-81.5	-5.2	179.1	-62.5	174.5	0	0	0	113.1	L185 P187 S192 Y196 V199	L185-L190 HydrophobicContact CB-CD1 4.38Å; L185-L190 HydrophobicContact CD1-CD2 4.25Å; P187-L190 PolarHBondContact O-N 3.15Å; P187-L190 VanDerWaalsContact O-N 3.09Å; L190-S192 PolarHBondContact O-N 2.89Å; L190-Y196 HydrophobicContact CB-CD2 4.43Å; L190-Y196 HydrophobicContact CD2-CD2 4.29Å; L190-V199 HydrophobicContact CD2-CB 4.46Å; L190-V199 HydrophobicContact CD2-CG2 4.02Å
191	N	77.6	Confident	81.1	Confident	132 Å²	132	81.3 Å²	81.3	71%	0.706	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-23.3	175.9	-76.6	-11.3	0	0	0	113.4	P187 L189	P187-N191 PolarHBondContact O-N 3.23Å; P187-N191 PolarHBondContact O-OD1 3.41Å; L189-N191 VanDerWaalsContact C-N 3.27Å; L189-N191 PolarHBondContact O-N 2.86Å
192	S	79.6	Confident	81	Confident	49 Å²	49	81.9 Å²	81.9	34%	0.343	46%	0.458	S	S	.	.	S	Bend	trans	-82.7	124.3	174.1	65.3	0	0	0	0	110	L189 L190 E194 S195 Y196	L189-S192 PolarHBondContact O-OG 3.47Å; L190-S192 PolarHBondContact O-N 2.89Å; S192-E194 PolarHBondContact O-N 3.33Å; S192-E194 VanDerWaalsContact O-N 3.17Å; S192-S195 PolarHBondContact O-N 2.87Å; S192-S195 VanDerWaalsContact O-N 3.1Å; S192-S195 WeakPolarHBondContact OG-CB 3.35Å; S192-S195 PolarHBondContact OG-N 2.9Å; S192-S195 PolarHBondContact OG-OG 2.84Å; S192-Y196 PolarHBondContact O-N 3.47Å
193	S	80.5	Confident	81	Confident	94 Å²	94	83.3 Å²	83.3	66%	0.657	46%	0.464	S	S	*	.	H	α-helix	trans	-51.6	-39.2	178.1	-174.7	0	0	0	0	111.9	Q197	S193-Q197 WeakPolarHBondContact O-CB 3.34Å; S193-Q197 VanDerWaalsContact O-CG 3.28Å; S193-Q197 WeakPolarHBondContact O-CG 3.19Å; S193-Q197 PolarHBondContact O-N 2.85Å
194	E	79.3	Confident	80.8	Confident	169 Å²	169	81.2 Å²	81.2	79%	0.79	46%	0.459	S	S	*	.	H	α-helix	trans	-64.9	-46.5	178.4	-65.7	173.7	175.6	0	0	112.9	S192 Q197 A198	S192-E194 PolarHBondContact O-N 3.33Å; S192-E194 VanDerWaalsContact O-N 3.17Å; E194-Q197 PolarHBondContact O-N 2.6Å; E194-A198 WeakPolarHBondContact O-CB 3.46Å; E194-A198 PolarHBondContact O-N 3.36Å
195	S	79.8	Confident	80.7	Confident	54 Å²	54	82.9 Å²	82.9	38%	0.378	46%	0.458	S	S	.	.	H	α-helix	trans	-68	-38.6	179.2	-59.6	0	0	0	0	111.4	L189 S192 A198 V199	L189-S195 WeakPolarHBondContact O-CB 3.21Å; S192-S195 PolarHBondContact O-N 2.87Å; S192-S195 VanDerWaalsContact O-N 3.1Å; S192-S195 WeakPolarHBondContact OG-CB 3.35Å; S192-S195 PolarHBondContact OG-N 2.9Å; S192-S195 PolarHBondContact OG-OG 2.84Å; S195-A198 PolarHBondContact O-N 2.88Å; S195-V199 WeakPolarHBondContact O-CG2 3.27Å; S195-V199 PolarHBondContact O-N 2.74Å
196	Y	81.3	Confident	80.8	Confident	113 Å²	113	81.3 Å²	81.3	44%	0.443	45%	0.451	S	S	.	.	H	α-helix	trans	-62.3	-46.3	175.5	-175.5	-104.5	0	0	0	111.6	L190 S192 A198 V199 L200	L190-Y196 HydrophobicContact CB-CD2 4.43Å; L190-Y196 HydrophobicContact CD2-CD2 4.29Å; S192-Y196 PolarHBondContact O-N 3.47Å; Y196-A198 VanDerWaalsContact C-N 3.34Å; Y196-A198 PolarHBondContact O-N 2.77Å; Y196-V199 PolarHBondContact O-N 2.84Å; Y196-L200 HydrophobicContact CD1-CD1 3.88Å; Y196-L200 HydrophobicContact CD1-CG 4.41Å; Y196-L200 HydrophobicContact CE1-CD1 3.39Å; Y196-L200 HydrophobicContact CE1-CG 4.07Å; Y196-L200 WeakPolarHBondContact O-CG 3.26Å; Y196-L200 PolarHBondContact O-N 2.75Å
197	Q	79	Confident	80.9	Confident	105 Å²	105	82.1 Å²	82.1	49%	0.491	45%	0.452	S	S	.	.	H	α-helix	trans	-61.7	-40.8	174.9	-75.9	-64.3	-21	0	0	112.2	S193 E194 V199 L200 S201	S193-Q197 WeakPolarHBondContact O-CB 3.34Å; S193-Q197 VanDerWaalsContact O-CG 3.28Å; S193-Q197 WeakPolarHBondContact O-CG 3.19Å; S193-Q197 PolarHBondContact O-N 2.85Å; E194-Q197 PolarHBondContact O-N 2.6Å; Q197-V199 PolarHBondContact O-N 2.91Å; Q197-L200 PolarHBondContact O-N 2.73Å; Q197-S201 WeakPolarHBondContact O-CB 3.32Å; Q197-S201 PolarHBondContact O-N 2.84Å; Q197-S201 PolarHBondContact O-OG 2.96Å
198	A	80.2	Confident	81.1	Confident	47 Å²	47	81 Å²	81	39%	0.388	45%	0.447	S	S	.	.	H	α-helix	trans	-61.3	-43.4	175.9	0	0	0	0	0	112	E194 S195 Y196 S201 I202	E194-A198 WeakPolarHBondContact O-CB 3.46Å; E194-A198 PolarHBondContact O-N 3.36Å; S195-A198 PolarHBondContact O-N 2.88Å; Y196-A198 VanDerWaalsContact C-N 3.34Å; Y196-A198 PolarHBondContact O-N 2.77Å; A198-S201 WeakPolarHBondContact O-CB 3.31Å; A198-S201 PolarHBondContact O-N 2.88Å; A198-I202 WeakPolarHBondContact O-CG1 3.34Å; A198-I202 PolarHBondContact O-N 2.86Å
199	V	84.8	Confident	81.1	Confident	20 Å²	20	80.2 Å²	80.2	12%	0.121	44%	0.438	C	S	.	.	H	α-helix	trans	-62.3	-46.2	175.9	169.4	0	0	0	0	111.1	F182 L185 L190 S195 Y196 Q197 S201 I202 K203	F182-V199 HydrophobicContact CB-CG1 4.04Å; F182-V199 HydrophobicContact CD1-CB 4.38Å; F182-V199 HydrophobicContact CD1-CG1 3.64Å; F182-V199 HydrophobicContact CD1-CG2 4.01Å; F182-V199 HydrophobicContact CD2-CG1 4.31Å; F182-V199 HydrophobicContact CE1-CB 4.49Å; F182-V199 HydrophobicContact CE1-CG1 4.1Å; F182-V199 HydrophobicContact CE1-CG2 4.08Å; F182-V199 HydrophobicContact CG-CG1 3.76Å; L185-V199 HydrophobicContact CD1-CG2 3.98Å; L190-V199 HydrophobicContact CD2-CB 4.46Å; L190-V199 HydrophobicContact CD2-CG2 4.02Å; S195-V199 WeakPolarHBondContact O-CG2 3.27Å; S195-V199 PolarHBondContact O-N 2.74Å; Y196-V199 PolarHBondContact O-N 2.84Å; Q197-V199 PolarHBondContact O-N 2.91Å; V199-S201 VanDerWaalsContact C-N 3.3Å; V199-S201 PolarHBondContact O-N 2.79Å; V199-I202 PolarHBondContact O-N 2.85Å; V199-K203 HydrophobicContact CG1-CD 4.45Å; V199-K203 HydrophobicContact CG1-CG 4.44Å; V199-K203 WeakPolarHBondContact O-CG 3.43Å; V199-K203 PolarHBondContact O-N 3.19Å
200	L	82.7	Confident	81.7	Confident	66 Å²	66	76 Å²	76	35%	0.346	42%	0.415	S	S	.	.	H	α-helix	trans	-60.5	-40.5	176.4	-72.2	-179.5	0	0	0	112.4	Y196 Q197 I202 K203 S204	Y196-L200 HydrophobicContact CD1-CD1 3.88Å; Y196-L200 HydrophobicContact CD1-CG 4.41Å; Y196-L200 HydrophobicContact CE1-CD1 3.39Å; Y196-L200 HydrophobicContact CE1-CG 4.07Å; Y196-L200 WeakPolarHBondContact O-CG 3.26Å; Y196-L200 PolarHBondContact O-N 2.75Å; Q197-L200 PolarHBondContact O-N 2.73Å; L200-I202 VanDerWaalsContact C-N 3.32Å; L200-I202 PolarHBondContact O-N 3.01Å; L200-K203 PolarHBondContact O-N 2.82Å; L200-S204 WeakPolarHBondContact O-CB 3.16Å; L200-S204 PolarHBondContact O-N 3Å; L200-S204 PolarHBondContact O-OG 2.9Å
201	S	81.7	Confident	82	Confident	63 Å²	63	76.4 Å²	76.4	44%	0.441	42%	0.42	S	S	.	.	H	α-helix	trans	-61.5	-40.9	177.2	-52.6	0	0	0	0	111.7	Q197 A198 V199 S204 Y205	Q197-S201 WeakPolarHBondContact O-CB 3.32Å; Q197-S201 PolarHBondContact O-N 2.84Å; Q197-S201 PolarHBondContact O-OG 2.96Å; A198-S201 WeakPolarHBondContact O-CB 3.31Å; A198-S201 PolarHBondContact O-N 2.88Å; V199-S201 VanDerWaalsContact C-N 3.3Å; V199-S201 PolarHBondContact O-N 2.79Å; S201-S204 PolarHBondContact O-OG 3.16Å; S201-Y205 WeakPolarHBondContact O-CB 3.41Å; S201-Y205 PolarHBondContact O-N 3.49Å
202	I	85.2	Confident	82.1	Confident	81 Å²	81	71.5 Å²	71.5	42%	0.415	40%	0.401	S	S	.	.	H	α-helix	trans	-72.9	-41.7	178.3	-62.1	163.5	0	0	0	110.7	L178 F182 A198 V199 L200 S204 Y205 S206	L178-I202 HydrophobicContact CD2-CG2 4.2Å; F182-I202 HydrophobicContact CE2-CB 4.27Å; F182-I202 HydrophobicContact CE2-CG2 3.9Å; F182-I202 HydrophobicContact CZ-CB 3.84Å; F182-I202 HydrophobicContact CZ-CD1 4.26Å; F182-I202 HydrophobicContact CZ-CG2 3.57Å; A198-I202 WeakPolarHBondContact O-CG1 3.34Å; A198-I202 PolarHBondContact O-N 2.86Å; V199-I202 PolarHBondContact O-N 2.85Å; L200-I202 VanDerWaalsContact C-N 3.32Å; L200-I202 PolarHBondContact O-N 3.01Å; I202-S204 PolarHBondContact O-N 3.48Å; I202-Y205 PolarHBondContact O-N 2.84Å; I202-S206 VanDerWaalsContact O-CB 3.29Å; I202-S206 WeakPolarHBondContact O-CB 3.06Å; I202-S206 PolarHBondContact O-N 2.97Å; I202-S206 PolarHBondContact O-OG 2.92Å; I202-S206 VanDerWaalsContact O-OG 3.05Å
203	K	85.8	Confident	82.3	Confident	55 Å²	55	73.4 Å²	73.4	24%	0.239	41%	0.407	C	S	.	.	H	α-helix	trans	-56.6	-50.4	174.6	-75.4	-166.7	171.9	-174.2	0	110.5	L179 F182 D183 V199 L200 S206 N207	L179-K203 HydrophobicContact CD2-CB 4.26Å; L179-K203 HydrophobicContact CD2-CD 3.85Å; L179-K203 HydrophobicContact CD2-CG 3.68Å; F182-K203 HydrophobicContact CD2-CD 4.2Å; F182-K203 HydrophobicContact CD2-CG 3.56Å; F182-K203 HydrophobicContact CE2-CG 3.85Å; F182-K203 HydrophobicContact CG-CG 4.42Å; D183-K203 IonicContact OD1-NZ 2.81Å; D183-K203 PolarHBondContact OD1-NZ 2.8Å; V199-K203 HydrophobicContact CG1-CD 4.45Å; V199-K203 HydrophobicContact CG1-CG 4.44Å; V199-K203 WeakPolarHBondContact O-CG 3.43Å; V199-K203 PolarHBondContact O-N 3.19Å; L200-K203 PolarHBondContact O-N 2.82Å; K203-S206 PolarHBondContact O-OG 2.94Å; K203-N207 WeakPolarHBondContact O-CB 3.41Å; K203-N207 PolarHBondContact O-N 3.1Å
204	S	79.2	Confident	82.4	Confident	70 Å²	70	73.5 Å²	73.5	49%	0.49	40%	0.396	S	S	.	.	H	α-helix	trans	-64.4	-46.8	179.9	68.1	0	0	0	0	112.1	L200 S201 I202 S206 N207 S208	L200-S204 WeakPolarHBondContact O-CB 3.16Å; L200-S204 PolarHBondContact O-N 3Å; L200-S204 PolarHBondContact O-OG 2.9Å; S201-S204 PolarHBondContact O-OG 3.16Å; I202-S204 PolarHBondContact O-N 3.48Å; S204-S206 PolarHBondContact O-N 2.91Å; S204-N207 PolarHBondContact O-N 2.64Å; S204-S208 WeakPolarHBondContact O-CB 3.18Å; S204-S208 PolarHBondContact O-N 3.27Å; S204-S208 PolarHBondContact O-OG 3.3Å; S204-S208 VanDerWaalsContact O-OG 3.11Å
205	Y	84.2	Confident	82.3	Confident	153 Å²	153	69.3 Å²	69.3	60%	0.6	38%	0.379	S	S	*	.	H	α-helix	trans	-61.9	-45.1	179.4	-176.2	-105	0	0	0	112.4	S201 I202 N207 S208 L209	S201-Y205 WeakPolarHBondContact O-CB 3.41Å; S201-Y205 PolarHBondContact O-N 3.49Å; I202-Y205 PolarHBondContact O-N 2.84Å; Y205-N207 PolarHBondContact O-N 3.33Å; Y205-S208 PolarHBondContact O-N 3.09Å; Y205-L209 HydrophobicContact CD1-CD1 3.8Å; Y205-L209 HydrophobicContact CD1-CG 4.47Å; Y205-L209 HydrophobicContact CE1-CD1 3.31Å; Y205-L209 HydrophobicContact CE1-CG 4.11Å; Y205-L209 WeakPolarHBondContact O-CG 3.33Å; Y205-L209 PolarHBondContact O-N 3.11Å
206	S	85.7	Confident	82.3	Confident	19 Å²	19	70.4 Å²	70.4	13%	0.133	39%	0.386	C	S	.	.	H	α-helix	trans	-64.7	-38.5	178.5	69.6	0	0	0	0	112.4	H175 I202 K203 S204 L209 L210	H175-S206 PolarHBondContact CE1-OG 3.23Å; H175-S206 PolarHBondContact ND1-OG 3.34Å; H175-S206 VanDerWaalsContact ND1-OG 3.08Å; I202-S206 VanDerWaalsContact O-CB 3.29Å; I202-S206 WeakPolarHBondContact O-CB 3.06Å; I202-S206 PolarHBondContact O-N 2.97Å; I202-S206 PolarHBondContact O-OG 2.92Å; I202-S206 VanDerWaalsContact O-OG 3.05Å; K203-S206 PolarHBondContact O-OG 2.94Å; S204-S206 PolarHBondContact O-N 2.91Å; S206-L209 PolarHBondContact O-N 3.08Å; S206-L210 PolarHBondContact O-N 3.48Å
207	N	84.7	Confident	82.2	Confident	79 Å²	79	66 Å²	66	42%	0.422	37%	0.372	S	S	.	.	H	α-helix	trans	-68.1	-41.9	176.2	-173.7	61.1	0	0	0	112	K203 S204 Y205 L209 L210 T211	K203-N207 WeakPolarHBondContact O-CB 3.41Å; K203-N207 PolarHBondContact O-N 3.1Å; S204-N207 PolarHBondContact O-N 2.64Å; Y205-N207 PolarHBondContact O-N 3.33Å; N207-L209 VanDerWaalsContact C-N 3.34Å; N207-L209 PolarHBondContact O-N 3.01Å; N207-L210 PolarHBondContact O-N 2.91Å; N207-T211 WeakPolarHBondContact O-CB 2.91Å; N207-T211 PolarHBondContact O-N 2.91Å; N207-T211 PolarHBondContact O-OG1 3.09Å
208	S	83.6	Confident	82.1	Confident	79 Å²	79	66.5 Å²	66.5	55%	0.552	38%	0.376	S	S	*	.	H	α-helix	trans	-62.1	-40.6	175.6	-65.3	0	0	0	0	112	S204 Y205 T211 G212	S204-S208 WeakPolarHBondContact O-CB 3.18Å; S204-S208 PolarHBondContact O-N 3.27Å; S204-S208 PolarHBondContact O-OG 3.3Å; S204-S208 VanDerWaalsContact O-OG 3.11Å; Y205-S208 PolarHBondContact O-N 3.09Å; S208-T211 PolarHBondContact O-N 2.59Å; S208-G212 PolarHBondContact O-N 3.46Å
209	L	80.9	Confident	81.8	Confident	88 Å²	88	67.5 Å²	67.5	46%	0.461	38%	0.38	S	S	.	.	H	α-helix	trans	-61.8	-47.1	173.6	-79	173.7	0	0	0	112.1	Y205 S206 N207 T211 G212 L213	Y205-L209 HydrophobicContact CD1-CD1 3.8Å; Y205-L209 HydrophobicContact CD1-CG 4.47Å; Y205-L209 HydrophobicContact CE1-CD1 3.31Å; Y205-L209 HydrophobicContact CE1-CG 4.11Å; Y205-L209 WeakPolarHBondContact O-CG 3.33Å; Y205-L209 PolarHBondContact O-N 3.11Å; S206-L209 PolarHBondContact O-N 3.08Å; N207-L209 VanDerWaalsContact C-N 3.34Å; N207-L209 PolarHBondContact O-N 3.01Å; L209-T211 VanDerWaalsContact C-N 3.29Å; L209-T211 PolarHBondContact O-N 2.73Å; L209-G212 PolarHBondContact O-N 2.8Å; L209-L213 WeakPolarHBondContact O-CG 3.36Å; L209-L213 PolarHBondContact O-N 3.3Å
210	L	85.1	Confident	81.1	Confident	9 Å²	9	70 Å²	70	5%	0.047	39%	0.392	C	S	.	.	H	α-helix	trans	-62.4	-39.1	178.5	-177.8	62.9	0	0	0	111.6	L168 A171 H175 S206 N207 L213 K214	L168-L210 HydrophobicContact CD1-CD1 4.4Å; A171-L210 HydrophobicContact CB-CD1 4.18Å; H175-L210 HydrophobicContact CB-CD2 3.99Å; S206-L210 PolarHBondContact O-N 3.48Å; N207-L210 PolarHBondContact O-N 2.91Å; L210-L213 PolarHBondContact O-N 3.25Å; L210-K214 WeakPolarHBondContact O-CG 3.38Å; L210-K214 PolarHBondContact O-N 2.79Å
211	T	81.5	Confident	80.6	Confident	59 Å²	59	74.2 Å²	74.2	36%	0.362	40%	0.404	S	S	.	.	H	α-helix	trans	-64.1	-48.8	176.2	-53.3	0	0	0	0	110.7	N207 S208 L209 L213 K214 D215	N207-T211 WeakPolarHBondContact O-CB 2.91Å; N207-T211 PolarHBondContact O-N 2.91Å; N207-T211 PolarHBondContact O-OG1 3.09Å; S208-T211 PolarHBondContact O-N 2.59Å; L209-T211 VanDerWaalsContact C-N 3.29Å; L209-T211 PolarHBondContact O-N 2.73Å; T211-L213 VanDerWaalsContact C-N 3.27Å; T211-L213 PolarHBondContact O-N 3.06Å; T211-K214 WeakPolarHBondContact O-CA 3.41Å; T211-K214 WeakPolarHBondContact O-CB 3.48Å; T211-K214 PolarHBondContact O-N 3.31Å; T211-D215 PolarHBondContact O-N 2.99Å
212	G	80.1	Confident	80.1	Confident	30 Å²	30	76 Å²	76	31%	0.309	41%	0.408	S	S	.	.	H	α-helix	trans	-58.8	-37.1	176.3	0	0	0	0	0	113.2	S208 L209 D215 C216	S208-G212 PolarHBondContact O-N 3.46Å; L209-G212 PolarHBondContact O-N 2.8Å; G212-D215 PolarHBondContact O-N 3.17Å; G212-C216 PolarHBondContact O-N 3.19Å; G212-C216 PolarHBondContact O-SG 3.09Å
213	L	82.5	Confident	79.1	Confident	89 Å²	89	77.1 Å²	77.1	47%	0.466	41%	0.414	S	S	.	.	H	α-helix	trans	-66	-38.7	173.8	-72.1	172.7	0	0	0	112.6	L168 A171 L209 L210 T211 D215 A217	L168-L213 HydrophobicContact CD1-CB 3.67Å; A171-L213 HydrophobicContact CB-CD1 4.39Å; L209-L213 WeakPolarHBondContact O-CG 3.36Å; L209-L213 PolarHBondContact O-N 3.3Å; L210-L213 PolarHBondContact O-N 3.25Å; T211-L213 VanDerWaalsContact C-N 3.27Å; T211-L213 PolarHBondContact O-N 3.06Å; L213-D215 VanDerWaalsContact C-N 3.35Å; L213-A217 WeakPolarHBondContact O-CB 3.46Å; L213-A217 PolarHBondContact O-N 3.1Å
214	K	83	Confident	78.3	Confident	95 Å²	95	78 Å²	78	41%	0.413	42%	0.419	S	S	.	.	H	α-helix	trans	-63.4	-42.1	174.5	-72	173.7	177.6	176.7	0	111	L168 L210 T211 A217 M218	L168-K214 HydrophobicContact CD1-CG 3.88Å; L168-K214 HydrophobicContact CD2-CG 4.03Å; L168-K214 HydrophobicContact CG-CG 4.27Å; L210-K214 WeakPolarHBondContact O-CG 3.38Å; L210-K214 PolarHBondContact O-N 2.79Å; T211-K214 WeakPolarHBondContact O-CA 3.41Å; T211-K214 WeakPolarHBondContact O-CB 3.48Å; T211-K214 PolarHBondContact O-N 3.31Å; K214-A217 PolarHBondContact O-N 3.46Å; K214-M218 PolarHBondContact O-N 3.46Å
215	D	78	Confident	77.6	Confident	82 Å²	82	78.6 Å²	78.6	44%	0.439	42%	0.417	S	S	.	.	H	α-helix	trans	-64.8	-45.8	178.5	-63.6	-22	0	0	0	111.3	T211 G212 L213 A217 M218 S219	T211-D215 PolarHBondContact O-N 2.99Å; G212-D215 PolarHBondContact O-N 3.17Å; L213-D215 VanDerWaalsContact C-N 3.35Å; D215-A217 VanDerWaalsContact C-N 3.31Å; D215-A217 PolarHBondContact O-N 2.79Å; D215-M218 WeakPolarHBondContact O-CB 3.31Å; D215-M218 PolarHBondContact O-N 2.65Å; D215-M218 VanDerWaalsContact O-N 3.12Å; D215-S219 PolarHBondContact O-N 2.93Å; D215-S219 PolarHBondContact O-OG 2.58Å
216	C	78.7	Confident	76.2	Confident	77 Å²	77	76 Å²	76	52%	0.52	41%	0.413	S	S	.	.	H	α-helix	trans	-57.9	-43.8	173.8	-69.8	0	0	0	0	112	G212 M218 S219 L220	G212-C216 PolarHBondContact O-N 3.19Å; G212-C216 PolarHBondContact O-SG 3.09Å; C216-M218 VanDerWaalsContact C-N 3.29Å; C216-M218 PolarHBondContact O-N 2.59Å; C216-S219 PolarHBondContact O-N 2.78Å; C216-L220 WeakPolarHBondContact O-CB 3.26Å; C216-L220 VanDerWaalsContact O-CG 3.27Å; C216-L220 WeakPolarHBondContact O-CG 3.49Å; C216-L220 PolarHBondContact O-N 2.89Å
217	A	79.2	Confident	74.7	Confident	19 Å²	19	79.9 Å²	79.9	16%	0.157	43%	0.432	C	S	.	.	H	α-helix	trans	-63.6	-35.6	177.3	0	0	0	0	0	112.2	V164 L168 L213 K214 D215 R221	V164-A217 HydrophobicContact CG1-CB 3.97Å; L168-A217 HydrophobicContact CD2-CB 4.01Å; L213-A217 WeakPolarHBondContact O-CB 3.46Å; L213-A217 PolarHBondContact O-N 3.1Å; K214-A217 PolarHBondContact O-N 3.46Å; D215-A217 VanDerWaalsContact C-N 3.31Å; D215-A217 PolarHBondContact O-N 2.79Å; A217-R221 PolarHBondContact O-N 2.88Å
218	M	77	Confident	73.2	Confident	117 Å²	117	78.6 Å²	78.6	58%	0.576	43%	0.429	S	S	*	.	H	α-helix	trans	-68.3	-45.4	176	-151.2	-169.5	-58.1	0	0	111.5	K214 D215 C216 L220 R221 L222	K214-M218 PolarHBondContact O-N 3.46Å; D215-M218 WeakPolarHBondContact O-CB 3.31Å; D215-M218 PolarHBondContact O-N 2.65Å; D215-M218 VanDerWaalsContact O-N 3.12Å; C216-M218 VanDerWaalsContact C-N 3.29Å; C216-M218 PolarHBondContact O-N 2.59Å; M218-L220 VanDerWaalsContact C-N 3.31Å; M218-L220 PolarHBondContact O-N 3.05Å; M218-R221 WeakPolarHBondContact O-CB 3.27Å; M218-R221 PolarHBondContact O-N 2.89Å; M218-R221 VanDerWaalsContact O-N 3.09Å; M218-L222 PolarHBondContact O-N 3.47Å
219	S	75.2	Confident	71.8	Confident	67 Å²	67	78.5 Å²	78.5	47%	0.469	43%	0.425	S	S	.	.	H	α-helix	trans	-59.4	-41.6	175	-62.2	0	0	0	0	112.2	D215 C216 R221 L222 L223	D215-S219 PolarHBondContact O-N 2.93Å; D215-S219 PolarHBondContact O-OG 2.58Å; C216-S219 PolarHBondContact O-N 2.78Å; S219-R221 VanDerWaalsContact C-N 3.32Å; S219-R221 PolarHBondContact O-N 2.81Å; S219-L222 PolarHBondContact O-N 3.46Å; S219-L223 WeakPolarHBondContact O-CG 3.34Å; S219-L223 PolarHBondContact O-N 3.4Å; S219-L223 VanDerWaalsContact O-N 3.08Å
220	L	69.8	Low	70	Confident	73 Å²	73	82.1 Å²	82.1	38%	0.382	44%	0.438	S	S	.	.	H	α-helix	trans	-63.4	-38.4	175.1	-72.9	171.3	0	0	0	111.6	F161 C216 M218 L223 Q224	F161-L220 HydrophobicContact CE1-CB 3.72Å; F161-L220 WeakPolarHBondContact CE1-O 3.42Å; C216-L220 WeakPolarHBondContact O-CB 3.26Å; C216-L220 VanDerWaalsContact O-CG 3.27Å; C216-L220 WeakPolarHBondContact O-CG 3.49Å; C216-L220 PolarHBondContact O-N 2.89Å; M218-L220 VanDerWaalsContact C-N 3.31Å; M218-L220 PolarHBondContact O-N 3.05Å; L220-L223 PolarHBondContact O-N 2.92Å; L220-Q224 PolarHBondContact O-N 2.96Å; L220-Q224 VanDerWaalsContact O-N 3.11Å
221	R	71.9	Confident	68.1	Low	154 Å²	154	87.1 Å²	87.1	58%	0.581	46%	0.461	S	S	*	.	H	α-helix	trans	-69.5	-36.3	176.5	-173.2	179.2	-85	-150.7	-4.1	112.4	A217 M218 S219 Q224 N225	A217-R221 PolarHBondContact O-N 2.88Å; M218-R221 WeakPolarHBondContact O-CB 3.27Å; M218-R221 PolarHBondContact O-N 2.89Å; M218-R221 VanDerWaalsContact O-N 3.09Å; S219-R221 VanDerWaalsContact C-N 3.32Å; S219-R221 PolarHBondContact O-N 2.81Å; R221-Q224 WeakPolarHBondContact O-CB 3.46Å; R221-Q224 PolarHBondContact O-N 3.3Å; R221-N225 PolarHBondContact O-N 2.97Å
222	L	71.2	Confident	66.3	Low	101 Å²	101	89.8 Å²	89.8	53%	0.529	47%	0.473	S	S	.	.	H	α-helix	trans	-61.7	-46.6	173.4	-72.8	171.6	0	0	0	111.2	M218 S219 Q224 N225 D226	M218-L222 PolarHBondContact O-N 3.47Å; S219-L222 PolarHBondContact O-N 3.46Å; L222-Q224 VanDerWaalsContact C-N 3.26Å; L222-Q224 PolarHBondContact O-N 3.31Å; L222-N225 PolarHBondContact O-N 3.3Å; L222-N225 VanDerWaalsContact O-N 3.09Å; L222-D226 PolarHBondContact O-N 3.14Å
223	L	64.5	Low	64.4	Low	104 Å²	104	98 Å²	98	55%	0.545	49%	0.494	S	S	.	.	H	α-helix	trans	-58.1	-38.1	174.7	-71.4	168.1	0	0	0	112.3	S219 L220 D226 L227	S219-L223 WeakPolarHBondContact O-CG 3.34Å; S219-L223 PolarHBondContact O-N 3.4Å; S219-L223 VanDerWaalsContact O-N 3.08Å; L220-L223 PolarHBondContact O-N 2.92Å; L223-D226 PolarHBondContact O-N 3.09Å; L223-L227 WeakPolarHBondContact O-CB 3.23Å; L223-L227 PolarHBondContact O-N 3.3Å
224	Q	68.9	Low	62.3	Low	73 Å²	73	97.4 Å²	97.4	34%	0.341	50%	0.498	S	S	.	.	H	α-helix	trans	-65	-43.3	175.2	-172.2	-177.3	7.8	0	0	112.2	F161 L220 R221 L222 D226 L227 S228	F161-Q224 HydrophobicContact CE1-CB 4.37Å; F161-Q224 HydrophobicContact CE2-CB 4.21Å; F161-Q224 HydrophobicContact CE2-CG 4.19Å; F161-Q224 HydrophobicContact CZ-CB 3.91Å; F161-Q224 HydrophobicContact CZ-CG 4.39Å; L220-Q224 PolarHBondContact O-N 2.96Å; L220-Q224 VanDerWaalsContact O-N 3.11Å; R221-Q224 WeakPolarHBondContact O-CB 3.46Å; R221-Q224 PolarHBondContact O-N 3.3Å; L222-Q224 VanDerWaalsContact C-N 3.26Å; L222-Q224 PolarHBondContact O-N 3.31Å; Q224-D226 VanDerWaalsContact C-N 3.34Å; Q224-L227 PolarHBondContact O-N 3.48Å; Q224-S228 PolarHBondContact O-N 3.18Å; Q224-S228 PolarHBondContact O-OG 2.93Å
225	N	64.3	Low	60.1	Low	83 Å²	83	97 Å²	97	44%	0.444	51%	0.506	S	S	.	.	H	α-helix	trans	-63.6	-41.2	178	-75.9	-8.2	0	0	0	111.3	R221 L222 S228 T229	R221-N225 PolarHBondContact O-N 2.97Å; L222-N225 PolarHBondContact O-N 3.3Å; L222-N225 VanDerWaalsContact O-N 3.09Å; N225-S228 WeakPolarHBondContact CA-OG 3.15Å; N225-S228 PolarHBondContact O-N 3.38Å; N225-S228 PolarHBondContact O-OG 3.1Å; N225-T229 PolarHBondContact O-N 3.38Å; N225-T229 PolarHBondContact O-OG1 2.85Å
226	D	55.4	Low	58.1	Low	99 Å²	99	100.5 Å²	100.5	53%	0.529	52%	0.52	S	S	.	.	H	α-helix	trans	-66	-37.4	177.4	-70	-19.2	0	0	0	112.5	L222 L223 Q224 T229 F230	L222-D226 PolarHBondContact O-N 3.14Å; L223-D226 PolarHBondContact O-N 3.09Å; Q224-D226 VanDerWaalsContact C-N 3.34Å; D226-T229 WeakPolarHBondContact CA-OG1 2.97Å; D226-T229 PolarHBondContact O-OG1 3.47Å; D226-F230 PolarHBondContact O-N 2.96Å; D226-F230 VanDerWaalsContact O-N 3.12Å
227	L	52.8	Low	56.1	Low	101 Å²	101	100.5 Å²	100.5	53%	0.529	52%	0.521	S	S	.	.	H	α-helix	trans	-64.8	-40.5	171.6	-95.9	146.7	0	0	0	111.9	L223 Q224 F230 Q231	L223-L227 WeakPolarHBondContact O-CB 3.23Å; L223-L227 PolarHBondContact O-N 3.3Å; Q224-L227 PolarHBondContact O-N 3.48Å; L227-F230 PolarHBondContact O-N 3.33Å; L227-Q231 PolarHBondContact O-N 3.37Å; L227-Q231 VanDerWaalsContact O-N 3.16Å
228	S	54.6	Low	53.9	Low	51 Å²	51	108.6 Å²	108.6	36%	0.357	56%	0.556	S	S	.	*	H	α-helix	trans	-69.9	-35.5	179.1	71.6	0	0	0	0	113.1	Q224 N225 F230 Q231 N232	Q224-S228 PolarHBondContact O-N 3.18Å; Q224-S228 PolarHBondContact O-OG 2.93Å; N225-S228 WeakPolarHBondContact CA-OG 3.15Å; N225-S228 PolarHBondContact O-N 3.38Å; N225-S228 PolarHBondContact O-OG 3.1Å; S228-F230 VanDerWaalsContact C-N 3.35Å; S228-Q231 PolarHBondContact O-N 2.85Å; S228-N232 PolarHBondContact O-N 2.63Å; S228-N232 VanDerWaalsContact O-N 3.17Å
229	T	52.5	Low	51.6	Low	77 Å²	77	107.4 Å²	107.4	47%	0.472	56%	0.564	S	S	.	*	H	α-helix	trans	-69.2	-33.1	173.3	40.7	0	0	0	0	112	N225 D226 R233	N225-T229 PolarHBondContact O-N 3.38Å; N225-T229 PolarHBondContact O-OG1 2.85Å; D226-T229 WeakPolarHBondContact CA-OG1 2.97Å; D226-T229 PolarHBondContact O-OG1 3.47Å; T229-R233 PolarHBondContact O-N 3.46Å; T229-R233 VanDerWaalsContact O-N 3.15Å
230	F	44.7	Very low	49.4	Very low	165 Å²	165	108.5 Å²	108.5	72%	0.724	57%	0.572	S	S	*	*	H	α-helix	trans	-63.8	-42.4	172.4	-112.8	-87.2	0	0	0	112.4	D226 L227 S228 R233 S234	D226-F230 PolarHBondContact O-N 2.96Å; D226-F230 VanDerWaalsContact O-N 3.12Å; L227-F230 PolarHBondContact O-N 3.33Å; S228-F230 VanDerWaalsContact C-N 3.35Å; F230-R233 PolarHBondContact O-N 3.41Å; F230-S234 PolarHBondContact O-N 3.46Å; F230-S234 VanDerWaalsContact O-N 3.17Å; F230-S234 PolarHBondContact O-OG 3.48Å
231	Q	43.6	Very low	47.4	Very low	114 Å²	114	113.2 Å²	113.2	53%	0.533	60%	0.597	S	S	.	*	H	α-helix	trans	-67.7	-34.7	178.8	-74.2	-175.9	-20.9	0	0	113.3	L227 S228 S234 S235	L227-Q231 PolarHBondContact O-N 3.37Å; L227-Q231 VanDerWaalsContact O-N 3.16Å; S228-Q231 PolarHBondContact O-N 2.85Å; Q231-S234 WeakPolarHBondContact CA-OG 3.43Å; Q231-S234 PolarHBondContact O-N 2.96Å; Q231-S234 PolarHBondContact O-OG 3.34Å; Q231-S235 PolarHBondContact O-OG 3.19Å
232	N	45.5	Very low	45.2	Very low	114 Å²	114	109.9 Å²	109.9	61%	0.61	60%	0.602	S	S	*	*	H	α-helix	trans	-72.2	-30.3	175.2	-76.8	-7.2	0	0	0	112.4	S228 S235	S228-N232 PolarHBondContact O-N 2.63Å; S228-N232 VanDerWaalsContact O-N 3.17Å; N232-S235 PolarHBondContact O-OG 3.31Å; N232-S235 VanDerWaalsContact O-OG 3.14Å
233	R	39.5	Very low	43	Very low	204 Å²	204	110.1 Å²	110.1	77%	0.77	61%	0.613	S	S	*	*	H	α-helix	trans	-73.5	-28.4	174	-79.5	-173.3	174.8	-166.2	-0.2	113.6	T229 F230 S235 S237	T229-R233 PolarHBondContact O-N 3.46Å; T229-R233 VanDerWaalsContact O-N 3.15Å; F230-R233 PolarHBondContact O-N 3.41Å; R233-S235 VanDerWaalsContact C-N 3.29Å; R233-S235 PolarHBondContact O-N 2.82Å; R233-S237 PolarHBondContact O-N 2.69Å
234	S	37.5	Very low	41.3	Very low	76 Å²	76	115 Å²	115	53%	0.531	63%	0.629	S	S	.	*	H	α-helix	trans	-75	-15.8	176.1	50.8	0	0	0	0	113.9	F230 Q231	F230-S234 PolarHBondContact O-N 3.46Å; F230-S234 VanDerWaalsContact O-N 3.17Å; F230-S234 PolarHBondContact O-OG 3.48Å; Q231-S234 WeakPolarHBondContact CA-OG 3.43Å; Q231-S234 PolarHBondContact O-N 2.96Å; Q231-S234 PolarHBondContact O-OG 3.34Å
235	S	38	Very low	39.2	Very low	85 Å²	85	118.1 Å²	118.1	59%	0.594	65%	0.653	S	S	*	*	H	α-helix	trans	-93.2	-19.6	177.6	40.7	0	0	0	0	114.1	Q231 N232 R233	Q231-S235 PolarHBondContact O-OG 3.19Å; N232-S235 PolarHBondContact O-OG 3.31Å; N232-S235 VanDerWaalsContact O-OG 3.14Å; R233-S235 VanDerWaalsContact C-N 3.29Å; R233-S235 PolarHBondContact O-N 2.82Å
236	E	36.2	Very low	37.2	Very low	156 Å²	156	118 Å²	118	73%	0.729	66%	0.664	S	S	*	*	H	α-helix	trans	-92.2	-13.6	173.3	-76.2	-175.9	162.1	0	0	113.8	E238	E236-E238 PolarHBondContact O-N 2.93Å
237	S	35.5	Very low	35.8	Very low	77 Å²	77	121.9 Å²	121.9	54%	0.538	68%	0.683	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.3	-16.1	-174.1	75.2	0	0	0	0	114.8	R233 A239	R233-S237 PolarHBondContact O-N 2.69Å; S237-A239 VanDerWaalsContact C-N 3.3Å; S237-A239 PolarHBondContact O-N 3.06Å
238	E	32.6	Very low	34.3	Very low	189 Å²	189	121.9 Å²	121.9	88%	0.883	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-10.5	177.2	-70.8	-166.7	163.3	0	0	113.6	E236	E236-E238 PolarHBondContact O-N 2.93Å
239	A	30.4	Very low	32.8	Very low	92 Å²	92	125 Å²	125	76%	0.76	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	-2.5	-171.6	0	0	0	0	0	116.9	S237	S237-A239 VanDerWaalsContact C-N 3.3Å; S237-A239 PolarHBondContact O-N 3.06Å
240	S	29.2	Very low	31.6	Very low	91 Å²	91	129.6 Å²	129.6	64%	0.636	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.4	2.1	178.8	75.5	0	0	0	0	120.8	A242	S240-A242 PolarHBondContact O-N 2.97Å; S240-A242 VanDerWaalsContact O-N 3.12Å
241	L	27.5	Very low	30.5	Very low	171 Å²	171	126.4 Å²	126.4	90%	0.895	72%	0.723	S	S	*	*			trans	-90	42.5	178.5	-116	87.9	0	0	0	114.5
242	A	25.5	Very low	29.8	Very low	84 Å²	84	127.2 Å²	127.2	69%	0.694	74%	0.735	S	S	*	*	S	Bend	trans	-105.4	114.5	154.3	0	0	0	0	0	107.2	S240	S240-A242 PolarHBondContact O-N 2.97Å; S240-A242 VanDerWaalsContact O-N 3.12Å
243	S	25	Very low	28.8	Very low	107 Å²	107	129.5 Å²	129.5	75%	0.748	74%	0.74	S	S	*	*			trans	84.8	101.9	-178.4	83.1	0	0	0	0	116.7
244	K	28.5	Very low	28.3	Very low	206 Å²	206	125.6 Å²	125.6	90%	0.896	74%	0.744	S	S	*	*				-175.4	101.9	115.1	-97.9	170.5	-176.3	179.6	0	110.2
245	V	23.9	Very low	27.7	Very low	138 Å²	138	131 Å²	131	84%	0.836	76%	0.758	S	S	*	*			trans	-57.3	139.4	163.9	167.9	0	0	0	0	110.1
246	A	23.4	Very low	27.2	Very low	82 Å²	82	136.7 Å²	136.7	68%	0.678	77%	0.772	S	S	*	*			trans	38.6	107	153.9	0	0	0	0	0	118.8
247	L	26.4	Very low	26.7	Very low	179 Å²	179	134.2 Å²	134.2	94%	0.937	78%	0.778	S	S	*	*			trans	-126.6	104.3	145.4	-78.1	171.6	0	0	0	108.7
248	S	20.9	Very low	26.5	Very low	101 Å²	101	137.9 Å²	137.9	71%	0.706	79%	0.79	S	S	*	*			trans	-72.1	170.9	156.1	50	0	0	0	0	110
249	V	21.8	Very low	26.3	Very low	118 Å²	118	134.4 Å²	134.4	72%	0.715	78%	0.784	S	S	*	*			trans	105.4	133.9	157.9	-171.4	0	0	0	0	116.3
250	E	27.2	Very low	26	Very low	172 Å²	172	137 Å²	137	80%	0.804	79%	0.791	S	S	*	*			trans	97.7	78.7	157.2	-87.9	156.5	-153	0	0	121.4
251	S	22	Very low	26.1	Very low	98 Å²	98	137.1 Å²	137.1	69%	0.685	80%	0.797	S	S	*	*				-6	118.8	120.8	147.7	0	0	0	0	116.9
252	V	29.3	Very low	26.3	Very low	131 Å²	131	137.5 Å²	137.5	79%	0.794	79%	0.794	S	S	*	*			trans	-142.7	107.9	145.5	-176.8	0	0	0	0	110.7
253	F	24.1	Very low	26.4	Very low	163 Å²	163	139.3 Å²	139.3	72%	0.715	80%	0.799	S	S	*	*			trans	15.6	125.8	144.7	-67.4	-96.5	0	0	0	119.9
254	S	29.8	Very low	26.6	Very low	122 Å²	122	142 Å²	142	85%	0.853	80%	0.804	S	S	*	*				-163.3	119.3	98.5	-139	0	0	0	0	112.2
255	K	24.1	Very low	26.5	Very low	188 Å²	188	140.2 Å²	140.2	82%	0.817	80%	0.799	S	S	*	*			trans	-71.6	121.7	179.4	-66.2	172	175.6	178.3	0	109.7
256	K	28.4	Very low	26.6	Very low	205 Å²	205	140 Å²	140	89%	0.891	80%	0.798	S	S	*	*			trans	-117.9	112.7	153.3	-123.1	179.8	-178	179.9	0	108.5
257	A	25.2	Very low	26.7	Very low	104 Å²	104	141.3 Å²	141.3	86%	0.86	79%	0.794	S	S	*	*			trans	-62.8	126.4	-175.9	0	0	0	0	0	111.1
258	I	30.4	Very low	26.8	Very low	155 Å²	155	138.2 Å²	138.2	80%	0.795	79%	0.787	S	S	*	*			trans	-125.6	137.8	161.4	-63	178.6	0	0	0	106.1
259	P	28.9	Very low	27.2	Very low	115 Å²	115	140.6 Å²	140.6	75%	0.747	79%	0.787	S	S	*	*			trans	-66.1	143.4	-162.4	-15.5	29.9	0	0	0	112.5	A261	P259-A261 PolarHBondContact O-N 2.88Å
260	T	25.2	Very low	27.8	Very low	147 Å²	147	146.3 Å²	146.3	90%	0.902	80%	0.795	S	S	*	*			trans	-39.7	99.2	165.3	28.4	0	0	0	0	112.3
261	A	31.3	Very low	28	Very low	93 Å²	93	142.2 Å²	142.2	77%	0.769	79%	0.791	S	S	*	*			trans	-90.1	126.8	153.1	0	0	0	0	0	107	P259	P259-A261 PolarHBondContact O-N 2.88Å
262	E	30.9	Very low	28.8	Very low	179 Å²	179	144.7 Å²	144.7	84%	0.836	80%	0.796	S	S	*	*			trans	-54.4	146.8	179.3	-73.1	176.7	158.8	0	0	111.6	L264	E262-L264 PolarHBondContact O-N 2.98Å
263	P	26.7	Very low	29.6	Very low	122 Å²	122	142.4 Å²	142.4	79%	0.792	78%	0.782	S	S	*	*			trans	-66.8	100.4	-173.5	26.9	-32.7	0	0	0	110.2	E265	P263-E265 PolarHBondContact O-N 3.32Å
264	L	29.1	Very low	30.9	Very low	163 Å²	163	137.9 Å²	137.9	85%	0.853	77%	0.771	S	S	*	*			trans	-65.5	105.6	158.2	-82.6	159.3	0	0	0	106.4	E262 T266	E262-L264 PolarHBondContact O-N 2.98Å; L264-T266 PolarHBondContact O-N 2.86Å
265	E	27.8	Very low	32.3	Very low	170 Å²	170	139 Å²	139	79%	0.794	76%	0.763	S	S	*	*			trans	-44.4	110.4	171.7	-67.7	-175.1	155.9	0	0	108.8	P263 N267	P263-E265 PolarHBondContact O-N 3.32Å; E265-N267 PolarHBondContact O-N 2.84Å
266	T	25.4	Very low	34.4	Very low	133 Å²	133	131.8 Å²	131.8	82%	0.816	73%	0.731	S	S	*	*			trans	-69.9	76	170.5	50.3	0	0	0	0	107.1	L264 S268	L264-T266 PolarHBondContact O-N 2.86Å; T266-S268 PolarHBondContact O-N 2.79Å
267	N	26.6	Very low	36.6	Very low	110 Å²	110	127.1 Å²	127.1	59%	0.588	71%	0.711	S	S	*	*			trans	-61	99.8	155.1	-86.9	-29.4	0	0	0	105	E265 H269	E265-N267 PolarHBondContact O-N 2.84Å; N267-H269 WeakPolarHBondContact CB-NE2 3.36Å; N267-H269 PolarHBondContact O-CD2 2.81Å; N267-H269 PolarHBondContact O-N 2.87Å
268	S	28	Very low	38.8	Very low	113 Å²	113	125.6 Å²	125.6	79%	0.79	69%	0.686	S	S	*	*			trans	-61.5	74.4	163.9	62.3	0	0	0	0	106.7	T266 R270	T266-S268 PolarHBondContact O-N 2.79Å; S268-R270 PolarHBondContact O-N 3.42Å
269	H	29.2	Very low	41.2	Very low	152 Å²	152	123.1 Å²	123.1	70%	0.704	68%	0.683	S	S	*	*			trans	-64.1	88.8	159.8	-70	-72.3	0	0	0	104.1	N267 A271	N267-H269 WeakPolarHBondContact CB-NE2 3.36Å; N267-H269 PolarHBondContact O-CD2 2.81Å; N267-H269 PolarHBondContact O-N 2.87Å; H269-A271 PolarHBondContact O-N 2.87Å
270	R	33.1	Very low	44	Very low	238 Å²	238	119.5 Å²	119.5	90%	0.898	66%	0.657	S	S	*	*			trans	-38.6	97.4	135.2	-106	177.7	173	171.1	-2	103.4	S268 D272	S268-R270 PolarHBondContact O-N 3.42Å; R270-D272 PolarHBondContact O-N 3.49Å
271	A	33.2	Very low	47.1	Very low	85 Å²	85	113.1 Å²	113.1	70%	0.702	62%	0.617	S	S	*	*			trans	-59.4	102.1	174	0	0	0	0	0	103.5	H269 V273	H269-A271 PolarHBondContact O-N 2.87Å; A271-V273 VanDerWaalsContact C-N 3.28Å; A271-V273 PolarHBondContact O-N 2.95Å
272	D	37.7	Very low	49.9	Very low	150 Å²	150	113.6 Å²	113.6	80%	0.802	61%	0.605	S	S	*	*			trans	-59.4	98.9	-176.3	-160.1	15.2	0	0	0	104	R270 S274	R270-D272 PolarHBondContact O-N 3.49Å; D272-S274 PolarHBondContact O-N 3.02Å
273	V	46.1	Very low	52.7	Low	83 Å²	83	106.6 Å²	106.6	50%	0.503	58%	0.575	S	S	.	*			trans	-59.5	101.3	171.3	174.7	0	0	0	0	102.3	A271 E275	A271-V273 VanDerWaalsContact C-N 3.28Å; A271-V273 PolarHBondContact O-N 2.95Å; V273-E275 VanDerWaalsContact C-N 3.34Å; V273-E275 VanDerWaalsContact O-CA 3.27Å; V273-E275 WeakPolarHBondContact O-CA 3.38Å; V273-E275 PolarHBondContact O-N 2.84Å
274	S	50.6	Low	55.5	Low	69 Å²	69	102 Å²	102	48%	0.483	54%	0.543	S	S	.	.			trans	-32.4	104.3	174	167.6	0	0	0	0	107.2	D272 F276	D272-S274 PolarHBondContact O-N 3.02Å; S274-F276 PolarHBondContact O-N 3Å
275	E	59.5	Low	57.6	Low	144 Å²	144	99.2 Å²	99.2	67%	0.673	53%	0.525	S	S	*	.			trans	-57.4	122.4	-163.8	-164.6	176.9	-159.3	0	0	106.3	V273 K277	V273-E275 VanDerWaalsContact C-N 3.34Å; V273-E275 VanDerWaalsContact O-CA 3.27Å; V273-E275 WeakPolarHBondContact O-CA 3.38Å; V273-E275 PolarHBondContact O-N 2.84Å; E275-K277 WeakPolarHBondContact O-CG 3.17Å; E275-K277 PolarHBondContact O-N 2.87Å
276	F	68.4	Low	59.2	Low	37 Å²	37	95 Å²	95	16%	0.162	51%	0.513	C	S	.	.			trans	-60	105.5	-176.9	173.7	-90.8	0	0	0	108.3	S274 E278 R589	S274-F276 PolarHBondContact O-N 3Å; F276-E278 HydrophobicContact CD1-CG 4.13Å; F276-E278 HydrophobicContact CE1-CG 3.44Å; F276-E278 VanDerWaalsContact CE1-CG 3.44Å; F276-E278 HydrophobicContact CZ-CG 4.27Å; F276-R589 VanDerWaalsContact CD2-CZ 3.41Å
277	K	74.7	Confident	60.6	Low	107 Å²	107	95.2 Å²	95.2	47%	0.465	51%	0.509	S	S	.	.			trans	-102	109.6	179.1	-73.8	178.1	-172.1	-174.6	0	109.5	E275 S279 D280	E275-K277 WeakPolarHBondContact O-CG 3.17Å; E275-K277 PolarHBondContact O-N 2.87Å; K277-S279 PolarHBondContact O-N 2.87Å; K277-D280 WeakPolarHBondContact O-CB 3.25Å; K277-D280 PolarHBondContact O-N 2.91Å
278	E	72.1	Confident	61.9	Low	73 Å²	73	94.2 Å²	94.2	34%	0.341	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-58.2	-29.7	177.2	-70.6	-172.6	-168.9	0	0	112.6	F276 D280 E281 K414 R416	F276-E278 HydrophobicContact CD1-CG 4.13Å; F276-E278 HydrophobicContact CE1-CG 3.44Å; F276-E278 VanDerWaalsContact CE1-CG 3.44Å; F276-E278 HydrophobicContact CZ-CG 4.27Å; E278-D280 PolarHBondContact O-N 3.45Å; E278-D280 VanDerWaalsContact O-N 3.13Å; E278-E281 PolarHBondContact O-N 2.92Å; E278-K414 IonicContact OE2-NZ 2.63Å; E278-R416 WeakPolarHBondContact OE1-CD 3.01Å; E278-R416 IonicContact OE1-CZ 3.18Å; E278-R416 IonicContact OE1-NE 3.66Å; E278-R416 IonicContact OE1-NH1 3.16Å; E278-R416 PolarHBondContact OE1-NH1 2.79Å
279	S	80.3	Confident	63.2	Low	102 Å²	102	94.3 Å²	94.3	71%	0.713	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-62.7	-15	175.8	60	0	0	0	0	114.1	K277	K277-S279 PolarHBondContact O-N 2.87Å
280	D	88.5	Confident	64.6	Low	40 Å²	40	90 Å²	90	21%	0.214	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-90.3	-8.9	-179.7	-69	-21.5	0	0	0	113.3	K277 E278 R589 P590 K593	K277-D280 WeakPolarHBondContact O-CB 3.25Å; K277-D280 PolarHBondContact O-N 2.91Å; E278-D280 PolarHBondContact O-N 3.45Å; E278-D280 VanDerWaalsContact O-N 3.13Å; D280-R589 HydrophobicContact CB-CG 3.98Å; D280-P590 VanDerWaalsContact O-CD 3.24Å; D280-P590 WeakPolarHBondContact O-CD 3.23Å; D280-K593 HydrophobicContact CB-CD 3.82Å; D280-K593 IonicContact OD1-NZ 2.8Å; D280-K593 PolarHBondContact OD1-NZ 3.13Å; D280-K593 WeakPolarHBondContact OD2-CD 3.37Å; D280-K593 IonicContact OD2-NZ 2.73Å; D280-K593 PolarHBondContact OD2-NZ 3.29Å
281	E	90	Very high	65.4	Low	13 Å²	13	82.2 Å²	82.2	6%	0.061	45%	0.446	C	S	.	.			trans	-70.3	136	176.3	-65.2	-176.6	141	0	0	110.9	E278 S393 K414 F587 R589	E278-E281 PolarHBondContact O-N 2.92Å; E281-S393 VanDerWaalsContact CD-OG 3.3Å; E281-S393 PolarHBondContact OE1-N 3.48Å; E281-S393 PolarHBondContact OE1-OG 3.01Å; E281-S393 VanDerWaalsContact OE2-CB 3.29Å; E281-S393 WeakPolarHBondContact OE2-CB 3.38Å; E281-S393 PolarHBondContact OE2-OG 3.3Å; E281-K414 VanDerWaalsContact OE2-CE 3.24Å; E281-K414 WeakPolarHBondContact OE2-CE 3.08Å; E281-K414 IonicContact OE2-NZ 3.3Å; E281-K414 PolarHBondContact OE2-NZ 3.49Å; E281-F587 HydrophobicContact CB-CB 4.02Å; E281-R589 HydrophobicContact CG-CG 3.85Å
282	M	89.7	Confident	66.1	Low	102 Å²	102	86.6 Å²	86.6	50%	0.502	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	156	176.1	-64	-176.5	66.6	0	0	109.8	E284 F587 I588 P590	M282-E284 PolarHBondContact O-N 3.22Å; M282-F587 VanDerWaalsContact O-CA 3.31Å; M282-F587 WeakPolarHBondContact O-CA 3.5Å; M282-I588 PolarHBondContact N-O 3.43Å; M282-I588 PolarHBondContact O-N 2.96Å; M282-P590 HydrophobicContact SD-CG 4.17Å
283	P	89.3	Confident	66.7	Low	33 Å²	33	84.1 Å²	84.1	21%	0.214	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	133.5	172.2	-22.5	31.1	0	0	0	111.1	Q285 Y400 T585 F587	P283-Q285 PolarHBondContact O-N 2.81Å; P283-Q285 PolarHBondContact O-NE2 2.91Å; P283-Q285 VanDerWaalsContact O-NE2 3.11Å; P283-Y400 HydrophobicContact CG-CE2 3.91Å; P283-T585 HydrophobicContact CB-CG2 4.18Å; P283-F587 HydrophobicContact CB-CE1 4.41Å; P283-F587 HydrophobicContact CG-CD1 4.21Å; P283-F587 HydrophobicContact CG-CE1 3.57Å; P283-F587 HydrophobicContact CG-CZ 3.91Å
284	E	85	Confident	67	Low	25 Å²	25	82.7 Å²	82.7	12%	0.117	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-56.7	124.7	176.4	177.2	175.1	-126.3	0	0	110.2	M282 F288 R583 R586 R600	M282-E284 PolarHBondContact O-N 3.22Å; E284-F288 HydrophobicContact CG-CB 4.48Å; E284-R583 IonicContact OE2-NH1 2.83Å; E284-R583 IonicContact OE2-NH2 3.96Å; E284-R586 HydrophobicContact CB-CB 4.31Å; E284-R586 WeakPolarHBondContact CB-O 3.39Å; E284-R586 PolarHBondContact N-O 2.88Å; E284-R586 IonicContact OE1-CZ 3.31Å; E284-R586 IonicContact OE1-NE 3.01Å; E284-R586 PolarHBondContact OE1-NE 3.08Å; E284-R586 IonicContact OE1-NH2 2.64Å; E284-R586 PolarHBondContact OE1-NH2 3.45Å; E284-R586 VanDerWaalsContact OE1-NH2 3.09Å; E284-R586 IonicContact OE2-CZ 3.01Å; E284-R586 VanDerWaalsContact OE2-CZ 3.31Å; E284-R586 IonicContact OE2-NE 2.59Å; E284-R586 PolarHBondContact OE2-NE 3.34Å; E284-R586 IonicContact OE2-NH2 3.76Å; E284-R586 PolarHBondContact OE2-NH2 2.94Å; E284-R600 IonicContact OE1-CZ 2.67Å; E284-R600 IonicContact OE1-NH2 3.87Å; E284-R600 PolarHBondContact OE1-NH2 3.4Å
285	Q	74.9	Confident	67.1	Low	104 Å²	104	83.1 Å²	83.1	49%	0.486	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-73.9	147	-177.8	-62.6	-60.6	-57.1	0	0	111.6	P283 D287 F288	P283-Q285 PolarHBondContact O-N 2.81Å; P283-Q285 PolarHBondContact O-NE2 2.91Å; P283-Q285 VanDerWaalsContact O-NE2 3.11Å; Q285-D287 PolarHBondContact O-N 2.85Å; Q285-D287 VanDerWaalsContact O-N 3.13Å; Q285-F288 PolarHBondContact O-N 2.99Å
286	P	61.3	Low	67.1	Low	83 Å²	83	80.3 Å²	80.3	54%	0.539	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-60.7	-23.9	-177.2	-22.6	32.2	0	0	0	115	F288 F289	P286-F288 PolarHBondContact O-N 2.8Å; P286-F289 HydrophobicContact CB-CD2 4.06Å; P286-F289 HydrophobicContact CB-CE2 4.39Å; P286-F289 WeakPolarHBondContact O-CB 3.23Å; P286-F289 WeakPolarHBondContact O-CD2 3.25Å; P286-F289 PolarHBondContact O-N 2.69Å
287	D	55.2	Low	66.8	Low	136 Å²	136	82.9 Å²	82.9	73%	0.727	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-59.2	-17.3	-179.4	-60.2	-23.7	0	0	0	113.4	Q285	Q285-D287 PolarHBondContact O-N 2.85Å; Q285-D287 VanDerWaalsContact O-N 3.13Å
288	F	53.5	Low	66.3	Low	89 Å²	89	81.7 Å²	81.7	39%	0.39	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-82.5	-9.3	173.1	-80	-89.7	0	0	0	114	E284 Q285 P286 E290	E284-F288 HydrophobicContact CG-CB 4.48Å; Q285-F288 PolarHBondContact O-N 2.99Å; P286-F288 PolarHBondContact O-N 2.8Å; F288-E290 PolarHBondContact O-N 3.03Å
289	F	55.6	Low	66	Low	116 Å²	116	79.1 Å²	79.1	51%	0.509	44%	0.441	S	S	.	.	S	Bend	trans	-72.6	115	170.2	-67.4	-67.7	0	0	0	109	P286 P291	P286-F289 HydrophobicContact CB-CD2 4.06Å; P286-F289 HydrophobicContact CB-CE2 4.39Å; P286-F289 WeakPolarHBondContact O-CB 3.23Å; P286-F289 WeakPolarHBondContact O-CD2 3.25Å; P286-F289 PolarHBondContact O-N 2.69Å; F289-P291 WeakPolarHBondContact O-CD 3.21Å
290	E	57.9	Low	65.5	Low	61 Å²	61	77.7 Å²	77.7	29%	0.285	42%	0.422	S	S	.	.			trans	-66.1	116.1	-177.2	-165.9	167.8	-163.9	0	0	109.9	F288 R379	F288-E290 PolarHBondContact O-N 3.03Å; E290-R379 VanDerWaalsContact CD-NH1 3.28Å; E290-R379 IonicContact OE1-CZ 3.31Å; E290-R379 IonicContact OE1-NE 3.5Å; E290-R379 IonicContact OE1-NH1 2.83Å; E290-R379 PolarHBondContact OE1-NH1 3Å; E290-R379 IonicContact OE1-NH2 3.74Å; E290-R379 PolarHBondContact OE1-NH2 2.86Å; E290-R379 IonicContact OE2-CZ 2.69Å; E290-R379 VanDerWaalsContact OE2-CZ 3.23Å; E290-R379 IonicContact OE2-NE 3.9Å; E290-R379 IonicContact OE2-NH1 3.69Å; E290-R379 IonicContact OE2-NH2 3.44Å; E290-R379 PolarHBondContact OE2-NH2 3.42Å
291	P	50	Low	64.8	Low	74 Å²	74	82.4 Å²	82.4	48%	0.481	44%	0.44	S	S	.	.			trans	-59.4	143.7	172.3	18.8	-26	0	0	0	109.6	F289 L293	F289-P291 WeakPolarHBondContact O-CD 3.21Å; P291-L293 HydrophobicContact CB-CD1 4.27Å; P291-L293 HydrophobicContact CG-CD1 3.85Å; P291-L293 PolarHBondContact O-N 2.9Å
292	E	48.4	Very low	64.1	Low	177 Å²	177	83 Å²	83	83%	0.827	45%	0.447	S	S	*	.			trans	-60.6	107.7	169.6	-70.7	-168.5	151.1	0	0	108.1
293	L	50	Low	63.3	Low	99 Å²	99	79.3 Å²	79.3	52%	0.518	43%	0.429	S	S	.	.			trans	-116.6	141.4	-161.6	-147.3	92.8	0	0	0	114	P291 Q299	P291-L293 HydrophobicContact CB-CD1 4.27Å; P291-L293 HydrophobicContact CG-CD1 3.85Å; P291-L293 PolarHBondContact O-N 2.9Å; L293-Q299 PolarHBondContact O-NE2 2.96Å
294	G	53	Low	62.7	Low	53 Å²	53	81.2 Å²	81.2	55%	0.546	44%	0.437	S	S	.	.	S	Bend	trans	88.1	152.7	146	0	0	0	0	0	116.7	V296	G294-V296 PolarHBondContact O-N 3.28Å
295	S	52.5	Low	62.4	Low	77 Å²	77	82.9 Å²	82.9	54%	0.538	45%	0.452	S	S	.	.			trans	-57.7	109.8	173.1	174.6	0	0	0	0	110.2	E297 C298	S295-E297 PolarHBondContact O-N 2.91Å; S295-C298 PolarHBondContact O-N 3.48Å
296	V	59	Low	62.5	Low	85 Å²	85	79.3 Å²	79.3	52%	0.515	44%	0.436	S	S	.	.	H	α-helix	trans	-48.3	-30.4	174.8	177.4	0	0	0	0	111.4	G294 Q299 K300	G294-V296 PolarHBondContact O-N 3.28Å; V296-Q299 PolarHBondContact O-N 2.96Å; V296-K300 WeakPolarHBondContact O-CB 3.32Å; V296-K300 PolarHBondContact O-N 2.83Å
297	E	61.5	Low	63.1	Low	92 Å²	92	76 Å²	76	43%	0.43	41%	0.414	S	S	.	.	H	α-helix	trans	-71.1	-39	-178	-162.5	59.1	-148.2	0	0	113.4	S295 Q299 K300 K301	S295-E297 PolarHBondContact O-N 2.91Å; E297-Q299 VanDerWaalsContact C-N 3.32Å; E297-K300 PolarHBondContact O-N 2.97Å; E297-K301 PolarHBondContact O-N 2.82Å
298	C	64	Low	64.1	Low	81 Å²	81	74 Å²	74	55%	0.547	41%	0.411	S	S	.	.	H	α-helix	trans	-65.1	-40	175.5	-71.9	0	0	0	0	111	S295 K301 A302	S295-C298 PolarHBondContact O-N 3.48Å; C298-K301 PolarHBondContact O-N 3.19Å; C298-A302 PolarHBondContact O-N 2.93Å
299	Q	67.5	Low	65.2	Low	20 Å²	20	77.5 Å²	77.5	9%	0.093	43%	0.425	C	S	.	.	H	α-helix	trans	-61.5	-47.8	175.1	-62	-177.8	12.6	0	0	111	L293 V296 E297 K301 A302 I303 F324 L325	L293-Q299 PolarHBondContact O-NE2 2.96Å; V296-Q299 PolarHBondContact O-N 2.96Å; E297-Q299 VanDerWaalsContact C-N 3.32Å; Q299-K301 PolarHBondContact O-N 3.15Å; Q299-A302 PolarHBondContact O-N 3.01Å; Q299-I303 WeakPolarHBondContact O-CB 3.41Å; Q299-I303 VanDerWaalsContact O-CG1 3.25Å; Q299-I303 WeakPolarHBondContact O-CG1 3.42Å; Q299-I303 PolarHBondContact O-N 2.9Å; Q299-F324 HydrophobicContact CB-CE2 4.44Å; Q299-F324 HydrophobicContact CG-CD2 4.4Å; Q299-F324 HydrophobicContact CG-CE2 3.93Å; Q299-L325 HydrophobicContact CB-CD2 3.59Å; Q299-L325 HydrophobicContact CG-CD2 3.69Å
300	K	69	Low	66.1	Low	72 Å²	72	73.2 Å²	73.2	31%	0.313	41%	0.408	S	S	.	.	H	α-helix	trans	-57.2	-46.8	178.6	-175	-177.7	176.8	-171.6	0	112.3	V296 E297 A302 I303 L304 L502	V296-K300 WeakPolarHBondContact O-CB 3.32Å; V296-K300 PolarHBondContact O-N 2.83Å; E297-K300 PolarHBondContact O-N 2.97Å; K300-A302 PolarHBondContact O-N 2.79Å; K300-I303 PolarHBondContact O-N 3.43Å; K300-L304 HydrophobicContact CG-CD1 3.95Å; K300-L304 HydrophobicContact CG-CG 4.39Å; K300-L304 WeakPolarHBondContact O-CB 3.38Å; K300-L304 WeakPolarHBondContact O-CG 3.42Å; K300-L304 PolarHBondContact O-N 2.9Å; K300-L502 WeakPolarHBondContact CE-O 3.44Å
301	K	74.5	Confident	67	Low	138 Å²	138	78.5 Å²	78.5	60%	0.6	43%	0.43	S	S	*	.	H	α-helix	trans	-62.3	-43.1	178.6	-73.1	179.5	-177.8	176.2	0	112.5	E297 C298 Q299 L304 S305	E297-K301 PolarHBondContact O-N 2.82Å; C298-K301 PolarHBondContact O-N 3.19Å; Q299-K301 PolarHBondContact O-N 3.15Å; K301-L304 PolarHBondContact O-N 3.36Å; K301-S305 WeakPolarHBondContact O-CB 3.48Å; K301-S305 PolarHBondContact O-N 3.41Å
302	A	74.5	Confident	68	Low	25 Å²	25	78.9 Å²	78.9	21%	0.207	43%	0.427	C	S	.	.	H	α-helix	trans	-66.1	-43.1	177.9	0	0	0	0	0	112.1	C298 Q299 K300 S305 L306 F324 L325	C298-A302 PolarHBondContact O-N 2.93Å; Q299-A302 PolarHBondContact O-N 3.01Å; K300-A302 PolarHBondContact O-N 2.79Å; A302-S305 PolarHBondContact O-N 3.22Å; A302-L306 WeakPolarHBondContact O-CB 3.49Å; A302-L306 PolarHBondContact O-N 3.42Å; A302-F324 HydrophobicContact CB-CE1 4.1Å; A302-F324 HydrophobicContact CB-CZ 3.52Å; A302-L325 HydrophobicContact CB-CD1 4.23Å
303	I	73.3	Confident	68.9	Low	26 Å²	26	72 Å²	72	13%	0.133	40%	0.403	C	S	.	.	H	α-helix	trans	-60.4	-50.2	174.5	-67.1	166.5	0	0	0	109.7	Q299 K300 S305 L306 L307 L325 I501 P505	Q299-I303 WeakPolarHBondContact O-CB 3.41Å; Q299-I303 VanDerWaalsContact O-CG1 3.25Å; Q299-I303 WeakPolarHBondContact O-CG1 3.42Å; Q299-I303 PolarHBondContact O-N 2.9Å; K300-I303 PolarHBondContact O-N 3.43Å; I303-S305 VanDerWaalsContact C-N 3.33Å; I303-S305 PolarHBondContact O-N 3.12Å; I303-L306 PolarHBondContact O-N 3.38Å; I303-L306 VanDerWaalsContact O-N 3.11Å; I303-L307 HydrophobicContact CG2-CD1 3.58Å; I303-L307 HydrophobicContact CG2-CG 3.9Å; I303-L307 WeakPolarHBondContact O-CB 3.46Å; I303-L307 VanDerWaalsContact O-CG 3.23Å; I303-L307 WeakPolarHBondContact O-CG 3.45Å; I303-L307 PolarHBondContact O-N 2.97Å; I303-L325 HydrophobicContact CD1-CD1 4.43Å; I303-L325 HydrophobicContact CD1-CD2 4.17Å; I303-L325 HydrophobicContact CG1-CD1 3.63Å; I303-L325 HydrophobicContact CG1-CD2 4.22Å; I303-I501 WeakPolarHBondContact CG2-O 3.24Å; I303-P505 HydrophobicContact CD1-CG 4.07Å
304	L	75.5	Confident	70.2	Confident	72 Å²	72	69.3 Å²	69.3	38%	0.377	39%	0.392	S	S	.	.	H	α-helix	trans	-59.6	-41.2	179	-71.9	174	0	0	0	112.8	K300 K301 L306 L307 S308 L502	K300-L304 HydrophobicContact CG-CD1 3.95Å; K300-L304 HydrophobicContact CG-CG 4.39Å; K300-L304 WeakPolarHBondContact O-CB 3.38Å; K300-L304 WeakPolarHBondContact O-CG 3.42Å; K300-L304 PolarHBondContact O-N 2.9Å; K301-L304 PolarHBondContact O-N 3.36Å; L304-L306 VanDerWaalsContact C-N 3.33Å; L304-L307 PolarHBondContact O-N 3.33Å; L304-S308 WeakPolarHBondContact O-CB 3.47Å; L304-S308 PolarHBondContact O-N 3.01Å; L304-S308 PolarHBondContact O-OG 3.03Å; L304-L502 HydrophobicContact CD2-CD2 3.44Å; L304-L502 VanDerWaalsContact CD2-CD2 3.44Å
305	S	78.8	Confident	71.1	Confident	61 Å²	61	71 Å²	71	43%	0.427	39%	0.388	S	S	.	.	H	α-helix	trans	-64.5	-36.4	175.6	-180	0	0	0	0	112.7	K301 A302 I303 S308 K309	K301-S305 WeakPolarHBondContact O-CB 3.48Å; K301-S305 PolarHBondContact O-N 3.41Å; A302-S305 PolarHBondContact O-N 3.22Å; I303-S305 VanDerWaalsContact C-N 3.33Å; I303-S305 PolarHBondContact O-N 3.12Å; S305-S308 PolarHBondContact O-OG 2.94Å; S305-K309 WeakPolarHBondContact O-CE 3.34Å; S305-K309 WeakPolarHBondContact O-CG 3.3Å
306	L	76.8	Confident	72.2	Confident	28 Å²	28	67.9 Å²	67.9	15%	0.147	37%	0.365	C	S	.	.	H	α-helix	trans	-71.8	-47.3	174.8	-175.2	126.5	0	0	0	111.1	A302 I303 L304 S308 K309 L310 V319 L321	A302-L306 WeakPolarHBondContact O-CB 3.49Å; A302-L306 PolarHBondContact O-N 3.42Å; I303-L306 PolarHBondContact O-N 3.38Å; I303-L306 VanDerWaalsContact O-N 3.11Å; L304-L306 VanDerWaalsContact C-N 3.33Å; L306-S308 VanDerWaalsContact C-N 3.34Å; L306-S308 PolarHBondContact O-N 3.22Å; L306-K309 PolarHBondContact O-N 3.35Å; L306-L310 HydrophobicContact CD2-CD1 4.14Å; L306-V319 HydrophobicContact CD1-CG1 4Å; L306-V319 HydrophobicContact CD2-CG1 4.05Å; L306-V319 HydrophobicContact CG-CG1 4.2Å; L306-L321 HydrophobicContact CD1-CD2 4.21Å; L306-L321 HydrophobicContact CD2-CD2 3.7Å
307	L	74.4	Confident	72.7	Confident	14 Å²	14	65.2 Å²	65.2	7%	0.073	35%	0.349	C	S	.	.	H	α-helix	trans	-64.9	-34.4	-178.5	-66.3	-178.1	0	0	0	113	I303 L304 K309 L310 F452 I501 L502	I303-L307 HydrophobicContact CG2-CD1 3.58Å; I303-L307 HydrophobicContact CG2-CG 3.9Å; I303-L307 WeakPolarHBondContact O-CB 3.46Å; I303-L307 VanDerWaalsContact O-CG 3.23Å; I303-L307 WeakPolarHBondContact O-CG 3.45Å; I303-L307 PolarHBondContact O-N 2.97Å; L304-L307 PolarHBondContact O-N 3.33Å; L307-K309 PolarHBondContact O-N 2.99Å; L307-L310 HydrophobicContact CD2-CD1 3.85Å; L307-L310 PolarHBondContact O-N 3.28Å; L307-F452 HydrophobicContact CB-CZ 4.37Å; L307-F452 HydrophobicContact CD2-CD2 4.07Å; L307-F452 HydrophobicContact CD2-CE2 3.61Å; L307-F452 HydrophobicContact CD2-CZ 4.18Å; L307-F452 HydrophobicContact CG-CE2 4.44Å; L307-I501 HydrophobicContact CD1-CB 4.27Å; L307-I501 HydrophobicContact CD1-CD1 3.47Å; L307-I501 VanDerWaalsContact CD1-CD1 3.47Å; L307-I501 HydrophobicContact CD1-CG1 3.69Å; L307-I501 HydrophobicContact CD2-CD1 4.19Å; L307-I501 HydrophobicContact CG-CD1 4.48Å; L307-L502 HydrophobicContact CD1-CD2 3.76Å
308	S	75.6	Confident	73	Confident	95 Å²	95	69.9 Å²	69.9	66%	0.664	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.2	178.7	69.2	0	0	0	0	113.5	L304 S305 L306	L304-S308 WeakPolarHBondContact O-CB 3.47Å; L304-S308 PolarHBondContact O-N 3.01Å; L304-S308 PolarHBondContact O-OG 3.03Å; S305-S308 PolarHBondContact O-OG 2.94Å; L306-S308 VanDerWaalsContact C-N 3.34Å; L306-S308 PolarHBondContact O-N 3.22Å
309	K	77.6	Confident	73.3	Confident	161 Å²	161	68 Å²	68	70%	0.7	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-15.8	177	-61	170.6	-173.1	175.6	0	112.7	S305 L306 L307	S305-K309 WeakPolarHBondContact O-CE 3.34Å; S305-K309 WeakPolarHBondContact O-CG 3.3Å; L306-K309 PolarHBondContact O-N 3.35Å; L307-K309 PolarHBondContact O-N 2.99Å
310	L	75.1	Confident	73.4	Confident	26 Å²	26	69.1 Å²	69.1	14%	0.136	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-88.9	133.3	-174.3	-60.2	173.1	0	0	0	110.9	L306 L307 T314 L316 V319 F452	L306-L310 HydrophobicContact CD2-CD1 4.14Å; L307-L310 HydrophobicContact CD2-CD1 3.85Å; L307-L310 PolarHBondContact O-N 3.28Å; L310-T314 HydrophobicContact CD2-CG2 3.94Å; L310-L316 HydrophobicContact CD1-CD1 4.28Å; L310-L316 HydrophobicContact CD1-CD2 3.42Å; L310-L316 VanDerWaalsContact CD1-CD2 3.42Å; L310-L316 HydrophobicContact CD1-CG 4.5Å; L310-L316 HydrophobicContact CD2-CD2 3.67Å; L310-L316 HydrophobicContact CG-CD2 4.13Å; L310-V319 HydrophobicContact CD2-CG1 4.34Å; L310-V319 HydrophobicContact CD2-CG2 3.92Å; L310-F452 HydrophobicContact CB-CD1 3.6Å; L310-F452 HydrophobicContact CB-CE1 3.83Å; L310-F452 HydrophobicContact CB-CG 4.21Å; L310-F452 HydrophobicContact CD1-CD1 4.4Å; L310-F452 HydrophobicContact CD1-CD2 4.45Å; L310-F452 HydrophobicContact CD1-CG 4.22Å
311	K	76.6	Confident	73.6	Confident	172 Å²	172	68 Å²	68	75%	0.748	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-82.7	152	167.3	-64.8	-177.9	-177.6	177.6	0	109.7	G313 T314 F452	K311-G313 PolarHBondContact O-N 2.5Å; K311-T314 PolarHBondContact N-OG1 3.02Å; K311-T314 VanDerWaalsContact N-OG1 3.15Å; K311-T314 VanDerWaalsContact O-CB 3.26Å; K311-T314 WeakPolarHBondContact O-CB 3.3Å; K311-T314 PolarHBondContact O-N 3.23Å; K311-T314 PolarHBondContact O-OG1 2.99Å; K311-F452 WeakPolarHBondContact O-CD1 3.14Å
312	L	70.4	Confident	73.5	Confident	82 Å²	82	62.7 Å²	62.7	43%	0.429	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	133.9	173	-174.3	68.7	0	0	0	110	T314	L312-T314 VanDerWaalsContact C-N 3.3Å; L312-T314 PolarHBondContact O-N 2.81Å
313	G	68	Low	73.6	Confident	32 Å²	32	61.5 Å²	61.5	33%	0.33	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-1.3	-179.1	0	0	0	0	0	115.4	K311 D315 F452	K311-G313 PolarHBondContact O-N 2.5Å; G313-D315 PolarHBondContact O-N 3.4Å; G313-F452 WeakPolarHBondContact CA-O 3.43Å; G313-F452 PolarHBondContact N-O 3.28Å
314	T	77.4	Confident	73.7	Confident	44 Å²	44	63 Å²	63	27%	0.27	33%	0.332	S	S	.	.			trans	-56.8	131.6	174.8	-56.9	0	0	0	0	110.4	L310 K311 L312 L316 F452	L310-T314 HydrophobicContact CD2-CG2 3.94Å; K311-T314 PolarHBondContact N-OG1 3.02Å; K311-T314 VanDerWaalsContact N-OG1 3.15Å; K311-T314 VanDerWaalsContact O-CB 3.26Å; K311-T314 WeakPolarHBondContact O-CB 3.3Å; K311-T314 PolarHBondContact O-N 3.23Å; K311-T314 PolarHBondContact O-OG1 2.99Å; L312-T314 VanDerWaalsContact C-N 3.3Å; L312-T314 PolarHBondContact O-N 2.81Å; T314-L316 HydrophobicContact CG2-CD2 4.26Å; T314-L316 PolarHBondContact O-N 2.85Å; T314-F452 PolarHBondContact O-N 3.29Å
315	D	71.8	Confident	73.7	Confident	87 Å²	87	60.2 Å²	60.2	47%	0.465	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-71.2	120.5	170.8	-174.6	-12.5	0	0	0	109.6	G313 T317 S450	G313-D315 PolarHBondContact O-N 3.4Å; D315-T317 WeakPolarHBondContact OD1-CB 3.41Å; D315-T317 PolarHBondContact OD1-N 3Å; D315-T317 PolarHBondContact OD1-OG1 3.05Å; D315-S450 CarbonylContact C-O 3.54Å; D315-S450 WeakPolarHBondContact CA-O 3.36Å; D315-S450 VanDerWaalsContact OD1-O 3.14Å
316	L	75	Confident	73.9	Confident	13 Å²	13	57.5 Å²	57.5	7%	0.068	30%	0.298	C	S	.	.			trans	-94.2	0.1	-178.2	-54.1	-172.7	0	0	0	113.4	L310 T314 R318 V319 S450 F452 I457	L310-L316 HydrophobicContact CD1-CD1 4.28Å; L310-L316 HydrophobicContact CD1-CD2 3.42Å; L310-L316 VanDerWaalsContact CD1-CD2 3.42Å; L310-L316 HydrophobicContact CD1-CG 4.5Å; L310-L316 HydrophobicContact CD2-CD2 3.67Å; L310-L316 HydrophobicContact CG-CD2 4.13Å; T314-L316 HydrophobicContact CG2-CD2 4.26Å; T314-L316 PolarHBondContact O-N 2.85Å; L316-R318 PolarHBondContact O-N 2.74Å; L316-V319 HydrophobicContact CB-CB 4.37Å; L316-V319 HydrophobicContact CD2-CB 4.12Å; L316-V319 HydrophobicContact CD2-CG2 3.83Å; L316-V319 PolarHBondContact O-N 3.07Å; L316-S450 PolarHBondContact N-O 3.48Å; L316-F452 HydrophobicContact CD1-CB 4.01Å; L316-F452 HydrophobicContact CD2-CB 4.09Å; L316-F452 HydrophobicContact CG-CB 4.12Å; L316-I457 HydrophobicContact CD1-CB 4.39Å; L316-I457 HydrophobicContact CD1-CD1 3.56Å; L316-I457 HydrophobicContact CD1-CG1 3.68Å; L316-I457 HydrophobicContact CD1-CG2 3.83Å
317	T	69.2	Low	74.2	Confident	28 Å²	28	57.4 Å²	57.4	17%	0.172	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-35.1	175.6	-51.7	0	0	0	0	110.9	D315 P427	D315-T317 WeakPolarHBondContact OD1-CB 3.41Å; D315-T317 PolarHBondContact OD1-N 3Å; D315-T317 PolarHBondContact OD1-OG1 3.05Å; T317-P427 HydrophobicContact CG2-CG 3.94Å
318	R	68.7	Low	74.9	Confident	191 Å²	191	58.3 Å²	58.3	72%	0.721	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-5	178.7	-64	-175.8	176.2	-171.5	-2.9	114.7	L316 S320	L316-R318 PolarHBondContact O-N 2.74Å; R318-S320 PolarHBondContact O-N 2.81Å
319	V	70.4	Confident	75.6	Confident	40 Å²	40	55.9 Å²	55.9	24%	0.242	28%	0.276	C	S	.	.			trans	-90.4	102.3	179.4	179	0	0	0	0	107.6	L306 L310 L316 L321	L306-V319 HydrophobicContact CD1-CG1 4Å; L306-V319 HydrophobicContact CD2-CG1 4.05Å; L306-V319 HydrophobicContact CG-CG1 4.2Å; L310-V319 HydrophobicContact CD2-CG1 4.34Å; L310-V319 HydrophobicContact CD2-CG2 3.92Å; L316-V319 HydrophobicContact CB-CB 4.37Å; L316-V319 HydrophobicContact CD2-CB 4.12Å; L316-V319 HydrophobicContact CD2-CG2 3.83Å; L316-V319 PolarHBondContact O-N 3.07Å; V319-L321 PolarHBondContact O-N 2.94Å
320	S	68	Low	76.4	Confident	45 Å²	45	48.2 Å²	48.2	32%	0.315	24%	0.243	S	C	.	.			trans	-71.1	115.2	176.3	65.8	0	0	0	0	109.5	R318 E626	R318-S320 PolarHBondContact O-N 2.81Å; S320-E626 WeakPolarHBondContact CB-OE2 3.49Å
321	L	73.8	Confident	77.2	Confident	49 Å²	49	49.2 Å²	49.2	26%	0.257	25%	0.246	S	C	.	.			trans	-63	145.2	165.5	-65.9	174.1	0	0	0	109.2	L306 V319 K380 K622	L306-L321 HydrophobicContact CD1-CD2 4.21Å; L306-L321 HydrophobicContact CD2-CD2 3.7Å; V319-L321 PolarHBondContact O-N 2.94Å; L321-K380 HydrophobicContact CD1-CB 4.26Å; L321-K622 PolarHBondContact O-NZ 3.14Å
322	P	72.6	Confident	78.1	Confident	26 Å²	26	41 Å²	41	17%	0.169	21%	0.211	C	C	.	.			trans	-46	143.3	167.4	-29.4	33.1	0	0	0	112.4	F324 L325 S326	P322-F324 VanDerWaalsContact C-N 3.27Å; P322-F324 HydrophobicContact CB-CD1 3.62Å; P322-F324 HydrophobicContact CB-CE1 3.46Å; P322-F324 VanDerWaalsContact CB-CE1 3.46Å; P322-F324 HydrophobicContact CB-CZ 4.48Å; P322-F324 HydrophobicContact CG-CE1 4.21Å; P322-F324 PolarHBondContact O-N 3.45Å; P322-L325 HydrophobicContact CB-CD1 4.34Å; P322-L325 HydrophobicContact CG-CD1 4.17Å; P322-L325 PolarHBondContact O-N 2.8Å; P322-S326 PolarHBondContact O-OG 3.01Å
323	A	77.1	Confident	79.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-56.2	-41.7	-174	0	0	0	0	0	112.1	L325 S326 L606 L610 A618 D619 K622	A323-L325 PolarHBondContact O-N 3.44Å; A323-S326 WeakPolarHBondContact O-CB 3.46Å; A323-S326 PolarHBondContact O-N 3.1Å; A323-L606 HydrophobicContact CB-CD1 3.91Å; A323-L610 HydrophobicContact CB-CD1 4.43Å; A323-L610 HydrophobicContact CB-CD2 4.04Å; A323-A618 HydrophobicContact CB-CB 4.1Å; A323-D619 VanDerWaalsContact CB-OD1 3.32Å; A323-D619 WeakPolarHBondContact CB-OD1 3.43Å; A323-D619 PolarHBondContact N-OD1 2.83Å; A323-K622 HydrophobicContact CB-CB 4.46Å; A323-K622 HydrophobicContact CB-CD 4Å
324	F	75.4	Confident	80.5	Confident	58 Å²	58	37 Å²	37	25%	0.254	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-66.7	-16.3	-179.1	80	-88.4	0	0	0	114.6	Q299 A302 P322 L610 V615	Q299-F324 HydrophobicContact CB-CE2 4.44Å; Q299-F324 HydrophobicContact CG-CD2 4.4Å; Q299-F324 HydrophobicContact CG-CE2 3.93Å; A302-F324 HydrophobicContact CB-CE1 4.1Å; A302-F324 HydrophobicContact CB-CZ 3.52Å; P322-F324 VanDerWaalsContact C-N 3.27Å; P322-F324 HydrophobicContact CB-CD1 3.62Å; P322-F324 HydrophobicContact CB-CE1 3.46Å; P322-F324 VanDerWaalsContact CB-CE1 3.46Å; P322-F324 HydrophobicContact CB-CZ 4.48Å; P322-F324 HydrophobicContact CG-CE1 4.21Å; P322-F324 PolarHBondContact O-N 3.45Å; F324-L610 HydrophobicContact CB-CD2 4.4Å; F324-V615 HydrophobicContact CB-CG1 4.23Å; F324-V615 HydrophobicContact CB-CG2 4.5Å; F324-V615 HydrophobicContact CD1-CG1 3.74Å; F324-V615 HydrophobicContact CG-CG1 4.27Å
325	L	76	Confident	81.3	Confident	12 Å²	12	35.8 Å²	35.8	6%	0.063	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-90.4	-8.2	173.9	-66.9	175.5	0	0	0	112.9	Q299 A302 I303 P322 A323 R379	Q299-L325 HydrophobicContact CB-CD2 3.59Å; Q299-L325 HydrophobicContact CG-CD2 3.69Å; A302-L325 HydrophobicContact CB-CD1 4.23Å; I303-L325 HydrophobicContact CD1-CD1 4.43Å; I303-L325 HydrophobicContact CD1-CD2 4.17Å; I303-L325 HydrophobicContact CG1-CD1 3.63Å; I303-L325 HydrophobicContact CG1-CD2 4.22Å; P322-L325 HydrophobicContact CB-CD1 4.34Å; P322-L325 HydrophobicContact CG-CD1 4.17Å; P322-L325 PolarHBondContact O-N 2.8Å; A323-L325 PolarHBondContact O-N 3.44Å; L325-R379 WeakPolarHBondContact O-CG 3.34Å
326	S	81.8	Confident	82.5	Confident	4 Å²	4	31.6 Å²	31.6	3%	0.028	15%	0.154	C	C	.	.	S	Bend	trans	-89.8	154	-179.3	-49	0	0	0	0	110.2	P322 A323 K380 F382 K622	P322-S326 PolarHBondContact O-OG 3.01Å; A323-S326 WeakPolarHBondContact O-CB 3.46Å; A323-S326 PolarHBondContact O-N 3.1Å; S326-K380 CarbonylContact C-O 3.42Å; S326-K380 VanDerWaalsContact CA-O 3.22Å; S326-K380 WeakPolarHBondContact CA-O 3.3Å; S326-K380 WeakPolarHBondContact CB-O 3.45Å; S326-F382 VanDerWaalsContact CB-CE1 3.48Å; S326-K622 PolarHBondContact OG-NZ 3.44Å
327	Q	84.2	Confident	83.4	Confident	27 Å²	27	31.1 Å²	31.1	13%	0.126	15%	0.152	C	C	.	.			trans	-66.1	145.7	163.6	-59	-179.7	-12.5	0	0	108.7	R329 R379 K380 P381 F382	Q327-R329 HydrophobicContact CB-CG 4.06Å; Q327-R329 PolarHBondContact O-N 3.31Å; Q327-R379 HydrophobicContact CG-CB 3.65Å; Q327-R379 WeakPolarHBondContact CG-O 3.2Å; Q327-R379 PolarHBondContact NE2-O 2.97Å; Q327-R379 VanDerWaalsContact NE2-O 3.13Å; Q327-K380 PolarHBondContact N-O 3.02Å; Q327-P381 HydrophobicContact CB-CB 4.48Å; Q327-F382 WeakPolarHBondContact O-CE2 3.38Å; Q327-F382 WeakPolarHBondContact O-CZ 3.43Å
328	K	87.7	Confident	84.6	Confident	33 Å²	33	31.4 Å²	31.4	14%	0.143	15%	0.151	C	C	.	.	S	Bend	trans	-77.1	41.4	-179.3	-58.9	-173.7	-172.5	-174.8	0	113.6	I607 L610 H611	K328-I607 HydrophobicContact CB-CG1 4.36Å; K328-I607 VanDerWaalsContact O-CD1 3.29Å; K328-I607 WeakPolarHBondContact O-CD1 3.4Å; K328-L610 HydrophobicContact CD-CB 4.32Å; K328-L610 HydrophobicContact CG-CD1 4.18Å; K328-L610 PolarHBondContact NZ-O 3.19Å; K328-H611 PolarHBondContact NZ-CD2 2.74Å; K328-H611 PolarHBondContact NZ-NE2 2.92Å
329	R	91.3	Very high	85.9	Confident	43 Å²	43	22.4 Å²	22.4	16%	0.162	12%	0.117	C	C	.	.	S	Bend	trans	-155.9	157	-177.6	64	-173.6	-176.2	165.4	6.6	111.5	Q327 E333 S334 D337 P381 F382	Q327-R329 HydrophobicContact CB-CG 4.06Å; Q327-R329 PolarHBondContact O-N 3.31Å; R329-E333 HydrophobicContact CB-CB 4.43Å; R329-E333 HydrophobicContact CB-CG 4.26Å; R329-S334 PolarHBondContact NH2-OG 3.07Å; R329-D337 IonicContact CZ-OD2 3.01Å; R329-D337 IonicContact NH1-OD1 3.23Å; R329-D337 PolarHBondContact NH1-OD1 2.92Å; R329-D337 IonicContact NH1-OD2 3.75Å; R329-D337 PolarHBondContact NH1-OD2 3.01Å; R329-D337 IonicContact NH2-OD2 2.66Å; R329-D337 PolarHBondContact NH2-OD2 3.08Å; R329-P381 WeakPolarHBondContact O-CA 3.37Å; R329-P381 VanDerWaalsContact O-CB 3.3Å; R329-P381 WeakPolarHBondContact O-CB 3.22Å; R329-F382 WeakPolarHBondContact O-CD2 3.28Å; R329-F382 PolarHBondContact O-N 3.28Å
330	S	93.5	Very high	87.1	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.007	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-70.9	154.7	174.5	-179.1	0	0	0	0	111.9	L332 E333 S334 E388 S599	S330-L332 PolarHBondContact O-N 2.96Å; S330-L332 PolarHBondContact OG-N 3.43Å; S330-E333 PolarHBondContact O-N 2.94Å; S330-S334 PolarHBondContact O-N 3.44Å; S330-E388 WeakPolarHBondContact CB-OE1 3.1Å; S330-E388 PolarHBondContact OG-OE1 3.46Å; S330-S599 WeakPolarHBondContact CB-OG 3.24Å
331	F	92.8	Very high	88.4	Confident	46 Å²	46	18.3 Å²	18.3	20%	0.202	9%	0.09	C	C	.	.	H	α-helix	trans	-58.4	-35.3	169.3	179.1	-110.9	0	0	0	111.8	E333 S334 C335 P381 F382 P384 I446 V448	F331-E333 VanDerWaalsContact C-N 3.29Å; F331-E333 PolarHBondContact O-N 3.09Å; F331-S334 CarbonylContact O-C 3.57Å; F331-S334 WeakPolarHBondContact O-CB 3.33Å; F331-S334 PolarHBondContact O-N 3.37Å; F331-S334 VanDerWaalsContact O-N 3.1Å; F331-C335 PolarHBondContact O-N 3.3Å; F331-C335 PolarHBondContact O-SG 3.22Å; F331-P381 HydrophobicContact CB-CB 4.4Å; F331-P381 HydrophobicContact CB-CG 3.91Å; F331-P381 HydrophobicContact CD2-CG 3.83Å; F331-P381 HydrophobicContact CG-CG 4.38Å; F331-F382 PolarHBondContact N-O 3.1Å; F331-P384 HydrophobicContact CB-CG 3.65Å; F331-P384 HydrophobicContact CD1-CG 4.29Å; F331-P384 HydrophobicContact CG-CG 4.49Å; F331-I446 HydrophobicContact CE1-CG2 4.21Å; F331-I446 HydrophobicContact CZ-CG2 3.93Å; F331-V448 HydrophobicContact CE1-CG2 4.39Å; F331-V448 HydrophobicContact CE2-CG2 4.25Å; F331-V448 HydrophobicContact CZ-CG2 3.73Å
332	L	95.8	Very high	89.4	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-59.1	-42.7	177.5	-55.6	-171.8	0	0	0	111.7	S330 C335 P384 E388 F390 A419 T429	S330-L332 PolarHBondContact O-N 2.96Å; S330-L332 PolarHBondContact OG-N 3.43Å; L332-C335 WeakPolarHBondContact O-CB 3.29Å; L332-C335 PolarHBondContact O-N 3.09Å; L332-P384 HydrophobicContact CD1-CB 4.21Å; L332-P384 HydrophobicContact CD2-CB 4.04Å; L332-P384 HydrophobicContact CD2-CG 3.75Å; L332-P384 HydrophobicContact CG-CB 3.83Å; L332-P384 HydrophobicContact CG-CG 3.72Å; L332-E388 HydrophobicContact CD1-CB 3.94Å; L332-E388 HydrophobicContact CD1-CG 3.9Å; L332-E388 WeakPolarHBondContact CD1-O 3.5Å; L332-F390 HydrophobicContact CB-CB 3.68Å; L332-A419 HydrophobicContact CB-CB 4.09Å; L332-A419 HydrophobicContact CD2-CB 4.28Å; L332-T429 HydrophobicContact CD2-CG2 3.28Å
333	E	95.5	Very high	90.5	Very high	7 Å²	7	17.5 Å²	17.5	3%	0.033	9%	0.089	C	C	.	.	H	α-helix	trans	-67	-41.8	175	176.3	161.1	-164.6	0	0	111.4	R329 S330 F331 C335 S336 F390 R600	R329-E333 HydrophobicContact CB-CB 4.43Å; R329-E333 HydrophobicContact CB-CG 4.26Å; S330-E333 PolarHBondContact O-N 2.94Å; F331-E333 VanDerWaalsContact C-N 3.29Å; F331-E333 PolarHBondContact O-N 3.09Å; E333-C335 VanDerWaalsContact C-N 3.27Å; E333-C335 PolarHBondContact O-N 2.63Å; E333-S336 WeakPolarHBondContact O-CB 3.42Å; E333-S336 PolarHBondContact O-N 3.45Å; E333-S336 VanDerWaalsContact O-N 3.08Å; E333-S336 PolarHBondContact O-OG 3.46Å; E333-F390 HydrophobicContact CB-CD1 4.28Å; E333-F390 HydrophobicContact CB-CD2 3.77Å; E333-F390 HydrophobicContact CB-CE1 4.12Å; E333-F390 HydrophobicContact CB-CE2 3.6Å; E333-F390 HydrophobicContact CB-CG 4.1Å; E333-F390 HydrophobicContact CB-CZ 3.79Å; E333-F390 VanDerWaalsContact CD-CE2 3.48Å; E333-F390 HydrophobicContact CG-CD2 4.28Å; E333-F390 HydrophobicContact CG-CE1 4.08Å; E333-F390 HydrophobicContact CG-CE2 3.58Å; E333-F390 HydrophobicContact CG-CZ 3.46Å; E333-F390 VanDerWaalsContact CG-CZ 3.46Å; E333-R600 IonicContact OE1-CZ 2.72Å; E333-R600 IonicContact OE1-NE 3.7Å; E333-R600 PolarHBondContact OE1-NE 2.89Å; E333-R600 VanDerWaalsContact OE1-NE 3.16Å; E333-R600 IonicContact OE1-NH2 3.18Å; E333-R600 PolarHBondContact OE1-NH2 2.85Å; E333-R600 IonicContact OE2-NE 3.05Å
334	S	92.9	Very high	91.4	Very high	23 Å²	23	19.4 Å²	19.4	16%	0.161	10%	0.098	C	C	.	.	H	α-helix	trans	-62	-32.7	175.6	-170.1	0	0	0	0	112.9	R329 S330 F331 S336 D337	R329-S334 PolarHBondContact NH2-OG 3.07Å; S330-S334 PolarHBondContact O-N 3.44Å; F331-S334 CarbonylContact O-C 3.57Å; F331-S334 WeakPolarHBondContact O-CB 3.33Å; F331-S334 PolarHBondContact O-N 3.37Å; F331-S334 VanDerWaalsContact O-N 3.1Å; S334-S336 PolarHBondContact O-N 2.97Å; S334-D337 WeakPolarHBondContact O-CB 3.27Å; S334-D337 PolarHBondContact O-N 3.47Å
335	C	94.7	Very high	92.4	Very high	18 Å²	18	16.6 Å²	16.6	12%	0.122	9%	0.086	C	C	.	.	H	α-helix	trans	-61.8	-31.7	174.8	-68.7	0	0	0	0	112.1	F331 L332 E333 D337 F338 F417 I431	F331-C335 PolarHBondContact O-N 3.3Å; F331-C335 PolarHBondContact O-SG 3.22Å; L332-C335 WeakPolarHBondContact O-CB 3.29Å; L332-C335 PolarHBondContact O-N 3.09Å; E333-C335 VanDerWaalsContact C-N 3.27Å; E333-C335 PolarHBondContact O-N 2.63Å; C335-D337 PolarHBondContact O-N 3.22Å; C335-F338 PolarHBondContact O-N 3.33Å; C335-F417 HydrophobicContact CB-CZ 3.93Å; C335-I431 HydrophobicContact CB-CG2 4.32Å
336	S	96.2	Very high	93.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.1	-23	178.5	79.3	0	0	0	0	113.2	E333 S334 F338 L339 W394 F417 R586	E333-S336 WeakPolarHBondContact O-CB 3.42Å; E333-S336 PolarHBondContact O-N 3.45Å; E333-S336 VanDerWaalsContact O-N 3.08Å; E333-S336 PolarHBondContact O-OG 3.46Å; S334-S336 PolarHBondContact O-N 2.97Å; S336-F338 PolarHBondContact O-N 3.5Å; S336-L339 WeakPolarHBondContact O-CB 3.06Å; S336-L339 PolarHBondContact O-N 3.47Å; S336-W394 WeakPolarHBondContact O-CZ2 3.34Å; S336-W394 PolarHBondContact O-NE1 2.82Å; S336-W394 VanDerWaalsContact O-NE1 3.13Å; S336-F417 VanDerWaalsContact CB-CD1 3.48Å; S336-R586 PolarHBondContact OG-NH1 3.1Å
337	D	94.2	Very high	93.9	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.016	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-65.5	-20	-178.8	-67.8	-18.7	0	0	0	112.8	R329 S334 C335 L339 A340 R586	R329-D337 IonicContact CZ-OD2 3.01Å; R329-D337 IonicContact NH1-OD1 3.23Å; R329-D337 PolarHBondContact NH1-OD1 2.92Å; R329-D337 IonicContact NH1-OD2 3.75Å; R329-D337 PolarHBondContact NH1-OD2 3.01Å; R329-D337 IonicContact NH2-OD2 2.66Å; R329-D337 PolarHBondContact NH2-OD2 3.08Å; S334-D337 WeakPolarHBondContact O-CB 3.27Å; S334-D337 PolarHBondContact O-N 3.47Å; C335-D337 PolarHBondContact O-N 3.22Å; D337-L339 PolarHBondContact O-N 3.4Å; D337-L339 VanDerWaalsContact O-N 3.17Å; D337-A340 WeakPolarHBondContact O-CB 3.47Å; D337-A340 PolarHBondContact O-N 3.35Å; D337-R586 IonicContact OD1-CZ 2.73Å; D337-R586 IonicContact OD1-NH1 2.91Å; D337-R586 PolarHBondContact OD1-NH1 2.92Å; D337-R586 IonicContact OD1-NH2 3.56Å
338	F	94.2	Very high	94.5	Very high	34 Å²	34	17.9 Å²	17.9	15%	0.149	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-65.1	-16.3	174.4	-152.9	-104.4	0	0	0	112.2	C335 S336 W364 Y365 S368 F369 Y493	C335-F338 PolarHBondContact O-N 3.33Å; S336-F338 PolarHBondContact O-N 3.5Å; F338-W364 AromaticContact CD1-CH2 3.63Å; F338-W364 HydrophobicContact CD1-CH2 3.63Å; F338-W364 AromaticContact CD1-CZ2 3.4Å; F338-W364 HydrophobicContact CD1-CZ2 3.4Å; F338-W364 HydrophobicContact CE1-CE3 4.5Å; F338-W364 AromaticContact CE1-CH2 3.44Å; F338-W364 HydrophobicContact CE1-CH2 3.44Å; F338-W364 VanDerWaalsContact CE1-CH2 3.44Å; F338-W364 AromaticContact CE1-CZ2 3.55Å; F338-W364 HydrophobicContact CE1-CZ2 3.55Å; F338-W364 AromaticContact CE1-CZ3 3.94Å; F338-W364 HydrophobicContact CE1-CZ3 3.94Å; F338-W364 PolarHBondContact O-NE1 2.82Å; F338-Y365 HydrophobicContact CE1-CD2 4.24Å; F338-Y365 AromaticContact CZ-CD2 3.8Å; F338-Y365 HydrophobicContact CZ-CD2 3.8Å; F338-Y365 HydrophobicContact CZ-CE2 4.25Å; F338-Y365 HydrophobicContact CZ-CG 4.38Å; F338-S368 WeakPolarHBondContact O-CB 3.31Å; F338-S368 PolarHBondContact O-OG 3.05Å; F338-F369 HydrophobicContact CE2-CD1 4.1Å; F338-F369 HydrophobicContact CE2-CD2 4.18Å; F338-F369 HydrophobicContact CE2-CE1 4.06Å; F338-F369 HydrophobicContact CE2-CE2 4.09Å; F338-F369 HydrophobicContact CE2-CG 4.17Å; F338-F369 HydrophobicContact CE2-CZ 4.04Å; F338-F369 HydrophobicContact CZ-CE2 4.24Å; F338-F369 HydrophobicContact CZ-CZ 4.28Å; F338-Y493 HydrophobicContact CE2-CE2 4.47Å
339	L	96.7	Very high	94.7	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-97.5	2.1	174.2	-61.4	168.1	0	0	0	112.9	S336 D337 N341 T342 F345 W364 W394 V415 F417 A433 L442	S336-L339 WeakPolarHBondContact O-CB 3.06Å; S336-L339 PolarHBondContact O-N 3.47Å; D337-L339 PolarHBondContact O-N 3.4Å; D337-L339 VanDerWaalsContact O-N 3.17Å; L339-N341 PolarHBondContact O-N 2.73Å; L339-T342 WeakPolarHBondContact O-CA 3.04Å; L339-T342 PolarHBondContact O-N 3.18Å; L339-T342 PolarHBondContact O-OG1 2.97Å; L339-F345 HydrophobicContact CD2-CD1 4.21Å; L339-F345 HydrophobicContact CD2-CD2 4.05Å; L339-F345 HydrophobicContact CD2-CE1 4.24Å; L339-F345 HydrophobicContact CD2-CE2 4.08Å; L339-F345 HydrophobicContact CD2-CG 4.09Å; L339-F345 HydrophobicContact CD2-CZ 4.17Å; L339-W364 HydrophobicContact CD2-CZ2 4.06Å; L339-W394 HydrophobicContact CB-CG 4.29Å; L339-V415 HydrophobicContact CD1-CG1 4.16Å; L339-V415 HydrophobicContact CD2-CG1 4.28Å; L339-F417 HydrophobicContact CD1-CB 3.97Å; L339-F417 HydrophobicContact CD1-CD2 3.55Å; L339-F417 HydrophobicContact CD1-CE2 4.42Å; L339-F417 HydrophobicContact CD1-CG 4.11Å; L339-A433 HydrophobicContact CD1-CB 3.43Å; L339-A433 VanDerWaalsContact CD1-CB 3.43Å; L339-A433 HydrophobicContact CD2-CB 4.34Å; L339-L442 HydrophobicContact CD2-CD2 4.14Å
340	A	95.1	Very high	94.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-65.7	-25.2	178.6	0	0	0	0	0	112.4	D337 T342 F371 W394 R583 G584	D337-A340 WeakPolarHBondContact O-CB 3.47Å; D337-A340 PolarHBondContact O-N 3.35Å; A340-T342 PolarHBondContact O-N 3.42Å; A340-T342 PolarHBondContact O-OG1 3.31Å; A340-F371 HydrophobicContact CB-CB 3.74Å; A340-F371 HydrophobicContact CB-CD1 3.88Å; A340-F371 HydrophobicContact CB-CD2 4.32Å; A340-F371 HydrophobicContact CB-CG 3.7Å; A340-W394 HydrophobicContact CB-CE3 4.33Å; A340-W394 HydrophobicContact CB-CH2 3.49Å; A340-W394 VanDerWaalsContact CB-CH2 3.49Å; A340-W394 HydrophobicContact CB-CZ2 4.06Å; A340-W394 HydrophobicContact CB-CZ3 3.65Å; A340-R583 HydrophobicContact CB-CG 4Å; A340-G584 PolarHBondContact O-N 2.91Å
341	N	94.7	Very high	94.8	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-79.2	60.3	163.1	-164.8	-9.1	0	0	0	111	L339 S343 M344 F345 T367 F371	L339-N341 PolarHBondContact O-N 2.73Å; N341-S343 PolarHBondContact O-N 3.44Å; N341-M344 PolarHBondContact ND2-SD 3.27Å; N341-M344 PolarHBondContact O-N 2.84Å; N341-M344 WeakPolarHBondContact OD1-CB 3.32Å; N341-M344 VanDerWaalsContact OD1-CG 3.28Å; N341-M344 WeakPolarHBondContact OD1-CG 3.47Å; N341-F345 PolarHBondContact O-N 3.09Å; N341-T367 PolarHBondContact ND2-OG1 3.17Å; N341-F371 HydrophobicContact CB-CD2 4.16Å; N341-F371 HydrophobicContact CB-CE2 3.64Å; N341-F371 HydrophobicContact CB-CZ 4.39Å
342	T	95.7	Very high	94.7	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-68.2	-36.4	-168	-43.8	0	0	0	0	111.9	L339 A340 F345 V346 W394 P396 V415	L339-T342 WeakPolarHBondContact O-CA 3.04Å; L339-T342 PolarHBondContact O-N 3.18Å; L339-T342 PolarHBondContact O-OG1 2.97Å; A340-T342 PolarHBondContact O-N 3.42Å; A340-T342 PolarHBondContact O-OG1 3.31Å; T342-F345 PolarHBondContact O-N 3.46Å; T342-V346 HydrophobicContact CG2-CG2 4.41Å; T342-V346 VanDerWaalsContact O-CG2 3.31Å; T342-V346 WeakPolarHBondContact O-CG2 3.36Å; T342-V346 PolarHBondContact O-N 2.98Å; T342-W394 HydrophobicContact CG2-CB 3.83Å; T342-P396 HydrophobicContact CG2-CG 3.98Å; T342-V415 HydrophobicContact CG2-CB 4.31Å; T342-V415 HydrophobicContact CG2-CG2 3.7Å
343	S	94.4	Very high	94.6	Very high	57 Å²	57	25.8 Å²	25.8	40%	0.399	16%	0.163	S	C	.	.	H	α-helix	trans	-62.2	-44.4	179.2	54.9	0	0	0	0	112	N341 S347	N341-S343 PolarHBondContact O-N 3.44Å; S343-S347 WeakPolarHBondContact O-CB 3.49Å; S343-S347 PolarHBondContact O-N 2.9Å; S343-S347 VanDerWaalsContact O-N 3.1Å; S343-S347 PolarHBondContact O-OG 2.94Å
344	M	95.7	Very high	94.5	Very high	39 Å²	39	26.8 Å²	26.8	19%	0.192	17%	0.171	C	C	.	.	H	α-helix	trans	-70	-34	176.3	-68.5	-167.6	120.4	0	0	112.8	N341 S347 I348 K363 W364 I576 I581	N341-M344 PolarHBondContact ND2-SD 3.27Å; N341-M344 PolarHBondContact O-N 2.84Å; N341-M344 WeakPolarHBondContact OD1-CB 3.32Å; N341-M344 VanDerWaalsContact OD1-CG 3.28Å; N341-M344 WeakPolarHBondContact OD1-CG 3.47Å; M344-S347 PolarHBondContact O-OG 3.21Å; M344-S347 VanDerWaalsContact O-OG 3.09Å; M344-I348 WeakPolarHBondContact O-CG1 3.46Å; M344-K363 HydrophobicContact CE-CB 3.83Å; M344-K363 HydrophobicContact CE-CD 4.25Å; M344-W364 HydrophobicContact CB-CB 4.09Å; M344-I576 HydrophobicContact CE-CD1 3.92Å; M344-I581 HydrophobicContact SD-CD1 4.5Å
345	F	97.2	Very high	94.7	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-47.4	176.3	-174.9	-104	0	0	0	111.5	L339 N341 T342 S347 I348 W364 V415 T435 V440 L442	L339-F345 HydrophobicContact CD2-CD1 4.21Å; L339-F345 HydrophobicContact CD2-CD2 4.05Å; L339-F345 HydrophobicContact CD2-CE1 4.24Å; L339-F345 HydrophobicContact CD2-CE2 4.08Å; L339-F345 HydrophobicContact CD2-CG 4.09Å; L339-F345 HydrophobicContact CD2-CZ 4.17Å; N341-F345 PolarHBondContact O-N 3.09Å; T342-F345 PolarHBondContact O-N 3.46Å; F345-S347 VanDerWaalsContact C-N 3.33Å; F345-S347 PolarHBondContact O-N 3.4Å; F345-I348 HydrophobicContact CD2-CD1 4.12Å; F345-I348 WeakPolarHBondContact O-CB 3.25Å; F345-I348 WeakPolarHBondContact O-CD1 3.29Å; F345-I348 WeakPolarHBondContact O-CG1 3.45Å; F345-I348 PolarHBondContact O-N 2.59Å; F345-W364 HydrophobicContact CB-CG 4.4Å; F345-W364 AromaticContact CD2-CD2 3.88Å; F345-W364 HydrophobicContact CD2-CD2 3.88Å; F345-W364 AromaticContact CD2-CE2 3.46Å; F345-W364 VanDerWaalsContact CD2-CE2 3.46Å; F345-W364 HydrophobicContact CD2-CE3 4.35Å; F345-W364 HydrophobicContact CD2-CG 4.4Å; F345-W364 HydrophobicContact CD2-CH2 4.03Å; F345-W364 AromaticContact CD2-CZ2 3.55Å; F345-W364 HydrophobicContact CD2-CZ2 3.55Å; F345-W364 HydrophobicContact CD2-CZ3 4.42Å; F345-W364 AromaticContact CD2-NE1 3.8Å; F345-W364 HydrophobicContact CE2-CH2 4.01Å; F345-W364 AromaticContact CE2-CZ2 3.9Å; F345-W364 HydrophobicContact CE2-CZ2 3.9Å; F345-W364 HydrophobicContact CE2-CZ3 4.48Å; F345-V415 HydrophobicContact CD1-CG1 3.99Å; F345-V415 HydrophobicContact CD1-CG2 3.83Å; F345-V415 HydrophobicContact CE1-CG1 3.83Å; F345-V415 HydrophobicContact CE1-CG2 4.31Å; F345-T435 HydrophobicContact CD1-CG2 4.48Å; F345-T435 HydrophobicContact CE1-CG2 4.29Å; F345-V440 HydrophobicContact CD1-CG1 4.46Å; F345-V440 HydrophobicContact CD2-CG1 4.43Å; F345-V440 HydrophobicContact CE1-CB 4.12Å; F345-V440 HydrophobicContact CE1-CG1 3.85Å; F345-V440 HydrophobicContact CE2-CG1 3.83Å; F345-V440 HydrophobicContact CZ-CB 4.24Å; F345-V440 HydrophobicContact CZ-CG1 3.51Å; F345-L442 HydrophobicContact CE2-CB 4.25Å; F345-L442 HydrophobicContact CZ-CB 4.04Å
346	V	95.3	Very high	94.7	Very high	22 Å²	22	33.2 Å²	33.2	13%	0.133	20%	0.195	C	C	.	.	H	α-helix	trans	-63.1	-39	178.8	167.4	0	0	0	0	111.6	T342 I348 A349 P396 S413 V415 T435	T342-V346 HydrophobicContact CG2-CG2 4.41Å; T342-V346 VanDerWaalsContact O-CG2 3.31Å; T342-V346 WeakPolarHBondContact O-CG2 3.36Å; T342-V346 PolarHBondContact O-N 2.98Å; V346-I348 PolarHBondContact O-N 3.45Å; V346-A349 PolarHBondContact O-N 2.9Å; V346-P396 HydrophobicContact CG2-CG 4.47Å; V346-S413 WeakPolarHBondContact CG1-OG 3.28Å; V346-S413 WeakPolarHBondContact CG2-O 3.24Å; V346-V415 HydrophobicContact CG2-CG2 3.77Å; V346-T435 HydrophobicContact CG2-CG2 4.28Å
347	S	94.3	Very high	94.8	Very high	47 Å²	47	33.9 Å²	33.9	33%	0.329	20%	0.198	S	C	.	.	H	α-helix	trans	-70.5	-10.3	-175.9	69.5	0	0	0	0	114.1	S343 M344 F345 A349 T350	S343-S347 WeakPolarHBondContact O-CB 3.49Å; S343-S347 PolarHBondContact O-N 2.9Å; S343-S347 VanDerWaalsContact O-N 3.1Å; S343-S347 PolarHBondContact O-OG 2.94Å; M344-S347 PolarHBondContact O-OG 3.21Å; M344-S347 VanDerWaalsContact O-OG 3.09Å; F345-S347 VanDerWaalsContact C-N 3.33Å; F345-S347 PolarHBondContact O-N 3.4Å; S347-A349 PolarHBondContact O-N 3.09Å; S347-T350 PolarHBondContact O-N 3.21Å; S347-T350 VanDerWaalsContact O-N 3.09Å; S347-T350 PolarHBondContact O-OG1 2.82Å
348	I	96.8	Very high	95	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-56.9	-40.6	175.7	-67.1	162.5	0	0	0	111.1	M344 F345 V346 T350 C351 A360 I361 W364 V440 V469	M344-I348 WeakPolarHBondContact O-CG1 3.46Å; F345-I348 HydrophobicContact CD2-CD1 4.12Å; F345-I348 WeakPolarHBondContact O-CB 3.25Å; F345-I348 WeakPolarHBondContact O-CD1 3.29Å; F345-I348 WeakPolarHBondContact O-CG1 3.45Å; F345-I348 PolarHBondContact O-N 2.59Å; V346-I348 PolarHBondContact O-N 3.45Å; I348-T350 PolarHBondContact O-N 3.4Å; I348-C351 WeakPolarHBondContact O-CB 3.37Å; I348-C351 PolarHBondContact O-N 2.96Å; I348-A360 HydrophobicContact CG1-CB 4.08Å; I348-I361 HydrophobicContact CD1-CG1 3.88Å; I348-I361 HydrophobicContact CG1-CG1 4.12Å; I348-I361 HydrophobicContact CG2-CD1 4.19Å; I348-I361 HydrophobicContact CG2-CG1 3.72Å; I348-W364 HydrophobicContact CD1-CB 4.3Å; I348-W364 HydrophobicContact CD1-CD2 4.47Å; I348-W364 HydrophobicContact CD1-CE3 4.41Å; I348-W364 HydrophobicContact CD1-CG 4.42Å; I348-V440 HydrophobicContact CB-CG2 4.22Å; I348-V469 HydrophobicContact CG2-CB 4.42Å; I348-V469 HydrophobicContact CG2-CG1 4Å; I348-V469 HydrophobicContact CG2-CG2 3.5Å
349	A	92.1	Very high	95.2	Very high	27 Å²	27	32.7 Å²	32.7	22%	0.223	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-68.5	-15.5	-179.7	0	0	0	0	0	114.2	V346 S347 C351 D439 V440	V346-A349 PolarHBondContact O-N 2.9Å; S347-A349 PolarHBondContact O-N 3.09Å; A349-C351 VanDerWaalsContact C-N 3.28Å; A349-C351 PolarHBondContact O-N 3.07Å; A349-D439 HydrophobicContact CB-CB 3.77Å; A349-V440 HydrophobicContact CB-CG2 3.56Å
350	T	92.3	Very high	95.3	Very high	109 Å²	109	33.2 Å²	33.2	67%	0.669	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-83.7	-6.6	179.1	73.9	0	0	0	0	112.7	S347 I348	S347-T350 PolarHBondContact O-N 3.21Å; S347-T350 VanDerWaalsContact O-N 3.09Å; S347-T350 PolarHBondContact O-OG1 2.82Å; I348-T350 PolarHBondContact O-N 3.4Å
351	C	94.5	Very high	95.5	Very high	28 Å²	28	33.2 Å²	33.2	19%	0.189	20%	0.198	C	C	.	.			trans	-83.8	121.6	-177.7	-68.9	0	0	0	0	112.2	I348 A349 K356 R357	I348-C351 WeakPolarHBondContact O-CB 3.37Å; I348-C351 PolarHBondContact O-N 2.96Å; A349-C351 VanDerWaalsContact C-N 3.28Å; A349-C351 PolarHBondContact O-N 3.07Å; C351-K356 HydrophobicContact CB-CB 4.12Å; C351-R357 HydrophobicContact CB-CB 4.28Å; C351-R357 HydrophobicContact CB-CG 3.5Å; C351-R357 WeakPolarHBondContact O-CG 3.31Å; C351-R357 PolarHBondContact O-NH1 3.2Å
352	T	90.2	Very high	95.7	Very high	80 Å²	80	33.2 Å²	33.2	49%	0.491	20%	0.198	S	C	.	.			trans	-82.7	-32.5	-172.8	53.9	0	0	0	0	114.6	R357	T352-R357 VanDerWaalsContact C-NH1 3.28Å; T352-R357 PolarHBondContact O-NH1 2.83Å
353	S	93.2	Very high	95.8	Very high	45 Å²	45	34.5 Å²	34.5	32%	0.315	20%	0.203	S	C	.	.	S	Bend	trans	-100.9	151.2	176.9	77.4	0	0	0	0	113	E355 K356 R357	S353-E355 VanDerWaalsContact C-N 3.29Å; S353-E355 PolarHBondContact O-N 2.63Å; S353-K356 PolarHBondContact O-N 2.98Å; S353-K356 VanDerWaalsContact O-N 3.16Å; S353-K356 WeakPolarHBondContact OG-CB 3.42Å; S353-K356 VanDerWaalsContact OG-CG 3.27Å; S353-K356 WeakPolarHBondContact OG-CG 3.46Å; S353-K356 PolarHBondContact OG-N 2.86Å; S353-R357 PolarHBondContact O-N 2.93Å
354	S	93.9	Very high	96	Very high	29 Å²	29	31.8 Å²	31.8	20%	0.203	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-35	178.1	59	0	0	0	0	112.9	L358 N522	S354-L358 WeakPolarHBondContact O-CB 3.48Å; S354-L358 PolarHBondContact O-N 2.83Å; S354-N522 PolarHBondContact OG-ND2 2.9Å; S354-N522 VanDerWaalsContact OG-ND2 3.11Å
355	E	96.4	Very high	96.1	Very high	48 Å²	48	30.1 Å²	30.1	22%	0.224	18%	0.176	C	C	.	.	H	α-helix	trans	-65.2	-45.8	173.6	-65	-173.8	170.3	0	0	111.3	S353 L358 V359 T547 R551 F553	S353-E355 VanDerWaalsContact C-N 3.29Å; S353-E355 PolarHBondContact O-N 2.63Å; E355-L358 PolarHBondContact O-N 3.19Å; E355-V359 WeakPolarHBondContact O-CG2 3.39Å; E355-V359 PolarHBondContact O-N 2.82Å; E355-T547 WeakPolarHBondContact OE1-CG2 3.34Å; E355-R551 IonicContact OE1-CZ 3.06Å; E355-R551 IonicContact OE1-NH2 3.67Å; E355-R551 PolarHBondContact OE1-NH2 3.04Å; E355-R551 IonicContact OE2-NH2 2.67Å; E355-F553 HydrophobicContact CB-CD2 4.03Å; E355-F553 HydrophobicContact CB-CE1 4.34Å; E355-F553 HydrophobicContact CB-CE2 3.86Å; E355-F553 HydrophobicContact CB-CG 4.34Å; E355-F553 HydrophobicContact CB-CZ 4Å; E355-F553 HydrophobicContact CG-CD1 3.96Å; E355-F553 HydrophobicContact CG-CD2 4.36Å; E355-F553 HydrophobicContact CG-CE1 3.8Å; E355-F553 HydrophobicContact CG-CE2 4.24Å; E355-F553 HydrophobicContact CG-CG 4.21Å; E355-F553 HydrophobicContact CG-CZ 3.93Å
356	K	96.7	Very high	96.2	Very high	128 Å²	128	30.2 Å²	30.2	56%	0.557	18%	0.176	S	C	*	.	H	α-helix	trans	-64.3	-41.1	177.2	-74.7	178.4	179.1	-177.5	0	111.8	C351 S353 V359 A360	C351-K356 HydrophobicContact CB-CB 4.12Å; S353-K356 PolarHBondContact O-N 2.98Å; S353-K356 VanDerWaalsContact O-N 3.16Å; S353-K356 WeakPolarHBondContact OG-CB 3.42Å; S353-K356 VanDerWaalsContact OG-CG 3.27Å; S353-K356 WeakPolarHBondContact OG-CG 3.46Å; S353-K356 PolarHBondContact OG-N 2.86Å; K356-V359 PolarHBondContact O-N 3.3Å; K356-A360 WeakPolarHBondContact O-CB 3.48Å; K356-A360 PolarHBondContact O-N 2.65Å
357	R	97.4	Very high	96.2	Very high	13 Å²	13	29.1 Å²	29.1	5%	0.049	17%	0.17	C	C	.	.	H	α-helix	trans	-60.3	-47.3	174	-78.9	-171.5	-65.2	-86.3	9	111.8	C351 T352 S353 V359 A360 I361 C471 E487 Y489	C351-R357 HydrophobicContact CB-CB 4.28Å; C351-R357 HydrophobicContact CB-CG 3.5Å; C351-R357 WeakPolarHBondContact O-CG 3.31Å; C351-R357 PolarHBondContact O-NH1 3.2Å; T352-R357 VanDerWaalsContact C-NH1 3.28Å; T352-R357 PolarHBondContact O-NH1 2.83Å; S353-R357 PolarHBondContact O-N 2.93Å; R357-V359 VanDerWaalsContact C-N 3.32Å; R357-V359 PolarHBondContact O-N 2.93Å; R357-A360 PolarHBondContact O-N 3.33Å; R357-A360 VanDerWaalsContact O-N 3.15Å; R357-I361 WeakPolarHBondContact O-CG1 3.45Å; R357-I361 PolarHBondContact O-N 2.72Å; R357-C471 PolarHBondContact NE-SG 3.31Å; R357-C471 VanDerWaalsContact NE-SG 3.44Å; R357-E487 IonicContact CZ-OE2 2.76Å; R357-E487 IonicContact NE-OE2 3.35Å; R357-E487 PolarHBondContact NE-OE2 3.02Å; R357-E487 IonicContact NH2-OE2 2.7Å; R357-E487 PolarHBondContact NH2-OE2 3.03Å; R357-Y489 WeakPolarHBondContact CB-OH 3.31Å; R357-Y489 PolarHBondContact NE-OH 3.25Å
358	L	98.5	Very high	96.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-39.6	177.5	-178.1	56.1	0	0	0	111.9	S354 E355 I361 L362 Y489 I515 N522 A524 A545 F553	S354-L358 WeakPolarHBondContact O-CB 3.48Å; S354-L358 PolarHBondContact O-N 2.83Å; E355-L358 PolarHBondContact O-N 3.19Å; L358-I361 PolarHBondContact O-N 3.38Å; L358-L362 VanDerWaalsContact O-CB 3.29Å; L358-L362 WeakPolarHBondContact O-CB 3.45Å; L358-L362 PolarHBondContact O-N 2.94Å; L358-Y489 HydrophobicContact CB-CE1 4.06Å; L358-Y489 HydrophobicContact CD1-CD1 3.96Å; L358-Y489 HydrophobicContact CD1-CE1 4.09Å; L358-I515 HydrophobicContact CD1-CB 4.21Å; L358-I515 HydrophobicContact CD1-CG2 3.6Å; L358-N522 HydrophobicContact CD2-CB 3.79Å; L358-A524 HydrophobicContact CD1-CB 4.26Å; L358-A524 HydrophobicContact CD2-CB 4.4Å; L358-A524 HydrophobicContact CG-CB 4.41Å; L358-A545 HydrophobicContact CD2-CB 4.47Å; L358-F553 HydrophobicContact CD2-CZ 4.07Å
359	V	98.7	Very high	96.1	Very high	13 Å²	13	27 Å²	27	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-44.3	172.8	169.6	0	0	0	0	111.2	E355 K356 R357 L362 K363 F553 C554 F568	E355-V359 WeakPolarHBondContact O-CG2 3.39Å; E355-V359 PolarHBondContact O-N 2.82Å; K356-V359 PolarHBondContact O-N 3.3Å; R357-V359 VanDerWaalsContact C-N 3.32Å; R357-V359 PolarHBondContact O-N 2.93Å; V359-L362 WeakPolarHBondContact O-CB 3.37Å; V359-L362 PolarHBondContact O-N 3.33Å; V359-K363 HydrophobicContact CG1-CD 4.19Å; V359-K363 HydrophobicContact CG1-CG 4.41Å; V359-K363 WeakPolarHBondContact O-CG 3.37Å; V359-K363 PolarHBondContact O-N 3.26Å; V359-F553 HydrophobicContact CG2-CD2 4.16Å; V359-F553 HydrophobicContact CG2-CE2 3.91Å; V359-C554 HydrophobicContact CG2-CB 3.75Å; V359-F568 HydrophobicContact CG1-CE1 3.82Å; V359-F568 HydrophobicContact CG1-CZ 4.29Å; V359-F568 HydrophobicContact CG2-CE1 4.33Å
360	A	98.6	Very high	96.1	Very high	12 Å²	12	27.3 Å²	27.3	10%	0.099	15%	0.151	C	C	.	.	H	α-helix	trans	-62.1	-44.3	178.5	0	0	0	0	0	111.8	I348 K356 R357 L362 K363 W364	I348-A360 HydrophobicContact CG1-CB 4.08Å; K356-A360 WeakPolarHBondContact O-CB 3.48Å; K356-A360 PolarHBondContact O-N 2.65Å; R357-A360 PolarHBondContact O-N 3.33Å; R357-A360 VanDerWaalsContact O-N 3.15Å; A360-L362 VanDerWaalsContact C-N 3.34Å; A360-L362 PolarHBondContact O-N 2.89Å; A360-K363 PolarHBondContact O-N 3.44Å; A360-W364 PolarHBondContact O-N 3.23Å
361	I	98.8	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-43.1	174	-66.1	166.4	0	0	0	110.6	I348 R357 L358 W364 Y365 V467 V469 Y489 L491 I515	I348-I361 HydrophobicContact CD1-CG1 3.88Å; I348-I361 HydrophobicContact CG1-CG1 4.12Å; I348-I361 HydrophobicContact CG2-CD1 4.19Å; I348-I361 HydrophobicContact CG2-CG1 3.72Å; R357-I361 WeakPolarHBondContact O-CG1 3.45Å; R357-I361 PolarHBondContact O-N 2.72Å; L358-I361 PolarHBondContact O-N 3.38Å; I361-W364 PolarHBondContact O-N 3.41Å; I361-Y365 WeakPolarHBondContact O-CB 3.28Å; I361-Y365 PolarHBondContact O-N 2.8Å; I361-V467 HydrophobicContact CD1-CG1 4.26Å; I361-V469 HydrophobicContact CD1-CG2 4.19Å; I361-Y489 HydrophobicContact CD1-CD1 3.78Å; I361-Y489 HydrophobicContact CD1-CD2 3.18Å; I361-Y489 HydrophobicContact CD1-CE1 3.93Å; I361-Y489 HydrophobicContact CD1-CE2 3.35Å; I361-Y489 HydrophobicContact CD1-CG 3.39Å; I361-L491 HydrophobicContact CG2-CD2 4.12Å; I361-I515 HydrophobicContact CG2-CD1 4.34Å; I361-I515 HydrophobicContact CG2-CG2 4.1Å
362	L	98.8	Very high	95.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.3	-44.1	177.8	-179.4	63.2	0	0	0	111.7	L358 V359 A360 Y365 L366 I515 A524 I526 A543 F566	L358-L362 VanDerWaalsContact O-CB 3.29Å; L358-L362 WeakPolarHBondContact O-CB 3.45Å; L358-L362 PolarHBondContact O-N 2.94Å; V359-L362 WeakPolarHBondContact O-CB 3.37Å; V359-L362 PolarHBondContact O-N 3.33Å; A360-L362 VanDerWaalsContact C-N 3.34Å; A360-L362 PolarHBondContact O-N 2.89Å; L362-Y365 PolarHBondContact O-N 2.77Å; L362-L366 HydrophobicContact CD1-CD1 3.81Å; L362-L366 HydrophobicContact CD1-CG 3.91Å; L362-L366 HydrophobicContact CG-CD1 3.98Å; L362-L366 HydrophobicContact CG-CG 4.38Å; L362-L366 WeakPolarHBondContact O-CB 3.49Å; L362-L366 VanDerWaalsContact O-CG 3.3Å; L362-L366 WeakPolarHBondContact O-CG 3.37Å; L362-L366 PolarHBondContact O-N 3.4Å; L362-I515 HydrophobicContact CD1-CD1 4.22Å; L362-A524 HydrophobicContact CD1-CB 4.13Å; L362-A524 HydrophobicContact CD2-CB 4.2Å; L362-I526 HydrophobicContact CD1-CD1 4.05Å; L362-I526 HydrophobicContact CD1-CG1 3.69Å; L362-A543 HydrophobicContact CD1-CB 4.13Å; L362-A543 HydrophobicContact CD2-CB 4.17Å; L362-F566 HydrophobicContact CD2-CE1 4.21Å; L362-F566 HydrophobicContact CG-CE1 4.25Å
363	K	98.7	Very high	94.7	Very high	27 Å²	27	20 Å²	20	12%	0.117	11%	0.109	C	C	.	.	H	α-helix	trans	-60.9	-51	175.9	-75.9	177.1	177.5	-175	0	111.6	M344 V359 A360 Y365 T367 F566 E574 I576	M344-K363 HydrophobicContact CE-CB 3.83Å; M344-K363 HydrophobicContact CE-CD 4.25Å; V359-K363 HydrophobicContact CG1-CD 4.19Å; V359-K363 HydrophobicContact CG1-CG 4.41Å; V359-K363 WeakPolarHBondContact O-CG 3.37Å; V359-K363 PolarHBondContact O-N 3.26Å; A360-K363 PolarHBondContact O-N 3.44Å; K363-Y365 VanDerWaalsContact C-N 3.35Å; K363-Y365 PolarHBondContact O-N 2.8Å; K363-T367 WeakPolarHBondContact O-CB 3.32Å; K363-T367 WeakPolarHBondContact O-CG2 3.42Å; K363-T367 PolarHBondContact O-N 3.42Å; K363-T367 PolarHBondContact O-OG1 3.41Å; K363-F566 HydrophobicContact CB-CZ 4.33Å; K363-F566 HydrophobicContact CG-CD1 4.15Å; K363-F566 HydrophobicContact CG-CE1 3.6Å; K363-F566 HydrophobicContact CG-CE2 4.1Å; K363-F566 HydrophobicContact CG-CZ 3.58Å; K363-E574 IonicContact NZ-OE1 3.16Å; K363-E574 PolarHBondContact NZ-OE1 3.01Å; K363-E574 IonicContact NZ-OE2 3.09Å; K363-E574 PolarHBondContact NZ-OE2 2.66Å; K363-I576 HydrophobicContact CB-CD1 4.39Å; K363-I576 HydrophobicContact CD-CD1 3.98Å; K363-I576 HydrophobicContact CG-CD1 3.96Å
364	W	98.4	Very high	93.5	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-57.3	-48.8	175.6	165.9	70.9	0	0	0	111.1	F338 L339 M344 F345 I348 A360 I361 L366 T367 S368 L442 V467 L491	F338-W364 AromaticContact CD1-CH2 3.63Å; F338-W364 HydrophobicContact CD1-CH2 3.63Å; F338-W364 AromaticContact CD1-CZ2 3.4Å; F338-W364 HydrophobicContact CD1-CZ2 3.4Å; F338-W364 HydrophobicContact CE1-CE3 4.5Å; F338-W364 AromaticContact CE1-CH2 3.44Å; F338-W364 HydrophobicContact CE1-CH2 3.44Å; F338-W364 VanDerWaalsContact CE1-CH2 3.44Å; F338-W364 AromaticContact CE1-CZ2 3.55Å; F338-W364 HydrophobicContact CE1-CZ2 3.55Å; F338-W364 AromaticContact CE1-CZ3 3.94Å; F338-W364 HydrophobicContact CE1-CZ3 3.94Å; F338-W364 PolarHBondContact O-NE1 2.82Å; L339-W364 HydrophobicContact CD2-CZ2 4.06Å; M344-W364 HydrophobicContact CB-CB 4.09Å; F345-W364 HydrophobicContact CB-CG 4.4Å; F345-W364 AromaticContact CD2-CD2 3.88Å; F345-W364 HydrophobicContact CD2-CD2 3.88Å; F345-W364 AromaticContact CD2-CE2 3.46Å; F345-W364 VanDerWaalsContact CD2-CE2 3.46Å; F345-W364 HydrophobicContact CD2-CE3 4.35Å; F345-W364 HydrophobicContact CD2-CG 4.4Å; F345-W364 HydrophobicContact CD2-CH2 4.03Å; F345-W364 AromaticContact CD2-CZ2 3.55Å; F345-W364 HydrophobicContact CD2-CZ2 3.55Å; F345-W364 HydrophobicContact CD2-CZ3 4.42Å; F345-W364 AromaticContact CD2-NE1 3.8Å; F345-W364 HydrophobicContact CE2-CH2 4.01Å; F345-W364 AromaticContact CE2-CZ2 3.9Å; F345-W364 HydrophobicContact CE2-CZ2 3.9Å; F345-W364 HydrophobicContact CE2-CZ3 4.48Å; I348-W364 HydrophobicContact CD1-CB 4.3Å; I348-W364 HydrophobicContact CD1-CD2 4.47Å; I348-W364 HydrophobicContact CD1-CE3 4.41Å; I348-W364 HydrophobicContact CD1-CG 4.42Å; A360-W364 PolarHBondContact O-N 3.23Å; I361-W364 PolarHBondContact O-N 3.41Å; W364-L366 PolarHBondContact O-N 2.9Å; W364-T367 PolarHBondContact O-N 2.95Å; W364-T367 PolarHBondContact O-OG1 2.86Å; W364-S368 VanDerWaalsContact CD1-OG 3.25Å; W364-S368 PolarHBondContact NE1-OG 2.65Å; W364-S368 VanDerWaalsContact NE1-OG 3.09Å; W364-S368 WeakPolarHBondContact O-CB 3.39Å; W364-S368 PolarHBondContact O-N 2.81Å; W364-S368 PolarHBondContact O-OG 2.99Å; W364-L442 HydrophobicContact CH2-CD1 4.45Å; W364-L442 HydrophobicContact CH2-CD2 4.19Å; W364-V467 HydrophobicContact CH2-CG2 4.37Å; W364-V467 HydrophobicContact CZ3-CG2 3.99Å; W364-L491 HydrophobicContact CZ3-CD2 4.14Å
365	Y	98.2	Very high	92	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.016	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-51.5	-178.7	176.8	-91.6	0	0	0	112.2	F338 I361 L362 K363 T367 S368 F369 L491 H492 P494 I515 F528	F338-Y365 HydrophobicContact CE1-CD2 4.24Å; F338-Y365 AromaticContact CZ-CD2 3.8Å; F338-Y365 HydrophobicContact CZ-CD2 3.8Å; F338-Y365 HydrophobicContact CZ-CE2 4.25Å; F338-Y365 HydrophobicContact CZ-CG 4.38Å; I361-Y365 WeakPolarHBondContact O-CB 3.28Å; I361-Y365 PolarHBondContact O-N 2.8Å; L362-Y365 PolarHBondContact O-N 2.77Å; K363-Y365 VanDerWaalsContact C-N 3.35Å; K363-Y365 PolarHBondContact O-N 2.8Å; Y365-T367 VanDerWaalsContact C-N 3.33Å; Y365-T367 PolarHBondContact O-N 2.9Å; Y365-S368 PolarHBondContact O-N 3.29Å; Y365-F369 AromaticContact CD1-CE2 3.84Å; Y365-F369 HydrophobicContact CD1-CE2 3.84Å; Y365-F369 HydrophobicContact CD1-CZ 4.46Å; Y365-F369 HydrophobicContact CD2-CE2 4.48Å; Y365-F369 AromaticContact CE1-CE2 3.55Å; Y365-F369 HydrophobicContact CE1-CE2 3.55Å; Y365-F369 AromaticContact CE1-CZ 3.83Å; Y365-F369 HydrophobicContact CE1-CZ 3.83Å; Y365-F369 HydrophobicContact CE2-CE2 4.26Å; Y365-F369 HydrophobicContact CE2-CZ 4.02Å; Y365-F369 HydrophobicContact CG-CE2 4.29Å; Y365-F369 AromaticContact CZ-CE2 3.79Å; Y365-F369 AromaticContact CZ-CZ 3.57Å; Y365-F369 WeakPolarHBondContact O-CD2 3.39Å; Y365-F369 WeakPolarHBondContact O-CE2 3.41Å; Y365-L491 HydrophobicContact CD2-CD2 3.79Å; Y365-L491 HydrophobicContact CE2-CD2 4.33Å; Y365-H492 PolarHBondContact OH-O 2.62Å; Y365-P494 WeakPolarHBondContact OH-CD 3.5Å; Y365-I515 HydrophobicContact CD1-CD1 4.01Å; Y365-I515 HydrophobicContact CD2-CD1 4.22Å; Y365-I515 HydrophobicContact CG-CD1 3.83Å; Y365-F528 HydrophobicContact CE1-CE2 4.08Å; Y365-F528 AromaticContact CE1-CZ 3.95Å; Y365-F528 HydrophobicContact CE1-CZ 3.95Å
366	L	98.2	Very high	90.2	Very high	1 Å²	1	27 Å²	27	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-67.1	-32	-175.8	-70.9	-179.5	0	0	0	113.5	L362 W364 I526 F528 V541 A543 A556 I564 F566	L362-L366 HydrophobicContact CD1-CD1 3.81Å; L362-L366 HydrophobicContact CD1-CG 3.91Å; L362-L366 HydrophobicContact CG-CD1 3.98Å; L362-L366 HydrophobicContact CG-CG 4.38Å; L362-L366 WeakPolarHBondContact O-CB 3.49Å; L362-L366 VanDerWaalsContact O-CG 3.3Å; L362-L366 WeakPolarHBondContact O-CG 3.37Å; L362-L366 PolarHBondContact O-N 3.4Å; W364-L366 PolarHBondContact O-N 2.9Å; L366-I526 HydrophobicContact CD2-CG2 3.79Å; L366-F528 HydrophobicContact CD2-CZ 4.06Å; L366-V541 HydrophobicContact CD2-CG2 3.68Å; L366-A543 HydrophobicContact CD1-CB 4.41Å; L366-A556 HydrophobicContact CD1-CB 4.16Å; L366-I564 HydrophobicContact CB-CD1 3.81Å; L366-F566 HydrophobicContact CD1-CE1 4.41Å; L366-F566 HydrophobicContact CD1-CZ 4.02Å
367	T	96.4	Very high	88.7	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-88.3	-22.4	-178.8	57.7	0	0	0	0	113.3	N341 K363 W364 Y365 F369 F370 I564 I576 V578 I581	N341-T367 PolarHBondContact ND2-OG1 3.17Å; K363-T367 WeakPolarHBondContact O-CB 3.32Å; K363-T367 WeakPolarHBondContact O-CG2 3.42Å; K363-T367 PolarHBondContact O-N 3.42Å; K363-T367 PolarHBondContact O-OG1 3.41Å; W364-T367 PolarHBondContact O-N 2.95Å; W364-T367 PolarHBondContact O-OG1 2.86Å; Y365-T367 VanDerWaalsContact C-N 3.33Å; Y365-T367 PolarHBondContact O-N 2.9Å; T367-F369 VanDerWaalsContact C-N 3.29Å; T367-F369 PolarHBondContact O-N 3.29Å; T367-F370 WeakPolarHBondContact O-CB 3.4Å; T367-F370 PolarHBondContact O-N 3.02Å; T367-I564 HydrophobicContact CG2-CD1 4.3Å; T367-I576 HydrophobicContact CG2-CG2 4.04Å; T367-V578 HydrophobicContact CG2-CG2 3.95Å; T367-I581 HydrophobicContact CG2-CD1 3.82Å
368	S	96	Very high	87.5	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-70.1	-23.3	-176.9	-67.1	0	0	0	0	114	F338 W364 Y365 F370 F371	F338-S368 WeakPolarHBondContact O-CB 3.31Å; F338-S368 PolarHBondContact O-OG 3.05Å; W364-S368 VanDerWaalsContact CD1-OG 3.25Å; W364-S368 PolarHBondContact NE1-OG 2.65Å; W364-S368 VanDerWaalsContact NE1-OG 3.09Å; W364-S368 WeakPolarHBondContact O-CB 3.39Å; W364-S368 PolarHBondContact O-N 2.81Å; W364-S368 PolarHBondContact O-OG 2.99Å; Y365-S368 PolarHBondContact O-N 3.29Å; S368-F370 PolarHBondContact O-N 3.17Å; S368-F371 PolarHBondContact O-N 2.71Å
369	F	92.5	Very high	86.4	Confident	3 Å²	3	27 Å²	27	1%	0.013	17%	0.169	C	C	.	.	H	α-helix	trans	-59.5	-33.3	175.2	-68.3	-81.7	0	0	0	112.7	F338 Y365 T367 F371 G372 C373 Y493 P494 F509 F528 W560	F338-F369 HydrophobicContact CE2-CD1 4.1Å; F338-F369 HydrophobicContact CE2-CD2 4.18Å; F338-F369 HydrophobicContact CE2-CE1 4.06Å; F338-F369 HydrophobicContact CE2-CE2 4.09Å; F338-F369 HydrophobicContact CE2-CG 4.17Å; F338-F369 HydrophobicContact CE2-CZ 4.04Å; F338-F369 HydrophobicContact CZ-CE2 4.24Å; F338-F369 HydrophobicContact CZ-CZ 4.28Å; Y365-F369 AromaticContact CD1-CE2 3.84Å; Y365-F369 HydrophobicContact CD1-CE2 3.84Å; Y365-F369 HydrophobicContact CD1-CZ 4.46Å; Y365-F369 HydrophobicContact CD2-CE2 4.48Å; Y365-F369 AromaticContact CE1-CE2 3.55Å; Y365-F369 HydrophobicContact CE1-CE2 3.55Å; Y365-F369 AromaticContact CE1-CZ 3.83Å; Y365-F369 HydrophobicContact CE1-CZ 3.83Å; Y365-F369 HydrophobicContact CE2-CE2 4.26Å; Y365-F369 HydrophobicContact CE2-CZ 4.02Å; Y365-F369 HydrophobicContact CG-CE2 4.29Å; Y365-F369 AromaticContact CZ-CE2 3.79Å; Y365-F369 AromaticContact CZ-CZ 3.57Å; Y365-F369 WeakPolarHBondContact O-CD2 3.39Å; Y365-F369 WeakPolarHBondContact O-CE2 3.41Å; T367-F369 VanDerWaalsContact C-N 3.29Å; T367-F369 PolarHBondContact O-N 3.29Å; F369-F371 VanDerWaalsContact C-N 3.29Å; F369-F371 PolarHBondContact O-N 3.47Å; F369-G372 PolarHBondContact O-N 3.27Å; F369-C373 PolarHBondContact O-N 3.37Å; F369-C373 PolarHBondContact O-SG 3.2Å; F369-Y493 HydrophobicContact CD1-CE2 4.32Å; F369-Y493 HydrophobicContact CE1-CD2 4.19Å; F369-Y493 HydrophobicContact CE1-CE1 4.1Å; F369-Y493 AromaticContact CE1-CE2 3.53Å; F369-Y493 HydrophobicContact CE1-CE2 3.53Å; F369-Y493 AromaticContact CE1-CZ 3.49Å; F369-Y493 VanDerWaalsContact CE1-CZ 3.49Å; F369-Y493 HydrophobicContact CZ-CE2 4.24Å; F369-P494 HydrophobicContact CE1-CG 3.88Å; F369-P494 HydrophobicContact CZ-CG 4.01Å; F369-F509 HydrophobicContact CB-CE2 4Å; F369-F509 HydrophobicContact CD1-CD2 4.03Å; F369-F509 HydrophobicContact CD1-CE1 4.49Å; F369-F509 AromaticContact CD1-CE2 3.47Å; F369-F509 HydrophobicContact CD1-CE2 3.47Å; F369-F509 VanDerWaalsContact CD1-CE2 3.47Å; F369-F509 AromaticContact CD1-CZ 3.73Å; F369-F509 HydrophobicContact CD1-CZ 3.73Å; F369-F509 HydrophobicContact CE1-CE2 4.29Å; F369-F509 HydrophobicContact CE1-CZ 4.33Å; F369-F509 HydrophobicContact CG-CD2 4.46Å; F369-F509 HydrophobicContact CG-CE2 4.03Å; F369-F528 HydrophobicContact CD2-CE1 4.26Å; F369-F528 HydrophobicContact CD2-CZ 4.16Å; F369-F528 HydrophobicContact CE2-CE1 4.11Å; F369-F528 AromaticContact CE2-CZ 3.57Å; F369-F528 HydrophobicContact CE2-CZ 3.57Å; F369-F528 HydrophobicContact CZ-CE1 4.47Å; F369-F528 AromaticContact CZ-CZ 3.85Å; F369-F528 HydrophobicContact CZ-CZ 3.85Å; F369-W560 HydrophobicContact CB-CD2 4.47Å; F369-W560 HydrophobicContact CB-CE3 3.75Å; F369-W560 HydrophobicContact CB-CZ3 3.94Å
370	F	91.3	Very high	85.6	Confident	33 Å²	33	29.3 Å²	29.3	15%	0.145	18%	0.178	C	C	.	.	H	α-helix	trans	-55.6	-42.7	-179.3	174.1	-106	0	0	0	112.6	T367 S368 G372 C373 K374 R561 V578 T579	T367-F370 WeakPolarHBondContact O-CB 3.4Å; T367-F370 PolarHBondContact O-N 3.02Å; S368-F370 PolarHBondContact O-N 3.17Å; F370-G372 PolarHBondContact O-N 3.22Å; F370-C373 PolarHBondContact O-N 3.31Å; F370-K374 PolarHBondContact O-N 3.08Å; F370-R561 HydrophobicContact CD2-CB 4.34Å; F370-R561 WeakPolarHBondContact CE2-O 3.03Å; F370-V578 HydrophobicContact CB-CG1 3.41Å; F370-V578 VanDerWaalsContact CB-CG1 3.41Å; F370-V578 HydrophobicContact CD1-CG1 4Å; F370-V578 HydrophobicContact CD2-CG1 4.13Å; F370-V578 HydrophobicContact CG-CG1 3.61Å; F370-T579 HydrophobicContact CE2-CG2 4.29Å; F370-T579 HydrophobicContact CZ-CG2 4.36Å
371	F	89.7	Confident	85.1	Confident	19 Å²	19	29.6 Å²	29.6	8%	0.083	18%	0.178	C	C	.	.	H	α-helix	trans	-68.5	-34.2	-175.1	-63.8	-80.2	0	0	0	113.6	A340 N341 S368 F369 C373 I581 R583	A340-F371 HydrophobicContact CB-CB 3.74Å; A340-F371 HydrophobicContact CB-CD1 3.88Å; A340-F371 HydrophobicContact CB-CD2 4.32Å; A340-F371 HydrophobicContact CB-CG 3.7Å; N341-F371 HydrophobicContact CB-CD2 4.16Å; N341-F371 HydrophobicContact CB-CE2 3.64Å; N341-F371 HydrophobicContact CB-CZ 4.39Å; S368-F371 PolarHBondContact O-N 2.71Å; F369-F371 VanDerWaalsContact C-N 3.29Å; F369-F371 PolarHBondContact O-N 3.47Å; F371-C373 VanDerWaalsContact C-N 3.32Å; F371-I581 HydrophobicContact CE2-CG2 4.21Å; F371-I581 HydrophobicContact CZ-CB 4Å; F371-I581 HydrophobicContact CZ-CG2 3.72Å; F371-R583 HydrophobicContact CD1-CB 4.17Å; F371-R583 HydrophobicContact CD1-CG 3.92Å; F371-R583 HydrophobicContact CE1-CB 3.77Å; F371-R583 HydrophobicContact CE1-CG 4.01Å
372	G	82.6	Confident	84.6	Confident	23 Å²	23	29.6 Å²	29.6	24%	0.237	18%	0.178	C	C	.	.	H	α-helix	trans	-78.5	-15.2	175.6	0	0	0	0	0	114	F369 F370	F369-G372 PolarHBondContact O-N 3.27Å; F370-G372 PolarHBondContact O-N 3.22Å
373	C	76.1	Confident	84.1	Confident	20 Å²	20	31.6 Å²	31.6	14%	0.135	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	5.6	-173.6	-55.5	0	0	0	0	114	F369 F370 F371 G375 M507 W560	F369-C373 PolarHBondContact O-N 3.37Å; F369-C373 PolarHBondContact O-SG 3.2Å; F370-C373 PolarHBondContact O-N 3.31Å; F371-C373 VanDerWaalsContact C-N 3.32Å; C373-G375 PolarHBondContact O-N 3.45Å; C373-M507 HydrophobicContact CB-CE 4Å; C373-M507 WeakPolarHBondContact SG-CE 3.5Å; C373-W560 HydrophobicContact CB-CH2 4.06Å; C373-W560 HydrophobicContact CB-CZ3 3.94Å
374	K	67.7	Low	83.7	Confident	167 Å²	167	30.7 Å²	30.7	73%	0.726	19%	0.186	S	C	*	.			trans	-65.4	129.1	-174	-165	175.5	-179	177.3	0	110.6	F370	F370-K374 PolarHBondContact O-N 3.08Å
375	G	61.6	Low	83.3	Confident	47 Å²	47	30.9 Å²	30.9	49%	0.485	19%	0.187	S	C	.	.	S	Bend	trans	125.2	151.3	179	0	0	0	0	0	113.5	C373 V377	C373-G375 PolarHBondContact O-N 3.45Å; G375-V377 PolarHBondContact O-N 2.99Å
376	G	58.6	Low	82.8	Confident	57 Å²	57	31.7 Å²	31.7	59%	0.588	20%	0.195	S	C	*	.	S	Bend	trans	-70.5	-26.8	-174	0	0	0	0	0	115.5
377	V	66.3	Low	82.4	Confident	48 Å²	48	31.9 Å²	31.9	29%	0.291	20%	0.197	S	C	.	.	S	Bend	trans	-119.8	121.5	-177.9	-177.3	0	0	0	0	110.6	G375 R379 T504 P505	G375-V377 PolarHBondContact O-N 2.99Å; V377-R379 HydrophobicContact CG1-CG 4.46Å; V377-R379 PolarHBondContact O-N 3.45Å; V377-T504 HydrophobicContact CG2-CG2 4.05Å; V377-P505 HydrophobicContact CG1-CB 4.23Å; V377-P505 HydrophobicContact CG1-CG 4.27Å
378	A	71.3	Confident	82.2	Confident	38 Å²	38	31.9 Å²	31.9	31%	0.314	20%	0.197	S	C	.	.			trans	-70.3	118.1	177	0	0	0	0	0	110.9	P505 M507	A378-P505 PolarHBondContact N-O 3.21Å; A378-M507 HydrophobicContact CB-CB 3.72Å
379	R	76.9	Confident	82.2	Confident	54 Å²	54	33.1 Å²	33.1	20%	0.204	20%	0.203	C	C	.	.			trans	-120.9	143.7	177.6	-68.9	-178.9	-72.8	-174.9	-3.6	110.1	E290 L325 Q327 V377	E290-R379 VanDerWaalsContact CD-NH1 3.28Å; E290-R379 IonicContact OE1-CZ 3.31Å; E290-R379 IonicContact OE1-NE 3.5Å; E290-R379 IonicContact OE1-NH1 2.83Å; E290-R379 PolarHBondContact OE1-NH1 3Å; E290-R379 IonicContact OE1-NH2 3.74Å; E290-R379 PolarHBondContact OE1-NH2 2.86Å; E290-R379 IonicContact OE2-CZ 2.69Å; E290-R379 VanDerWaalsContact OE2-CZ 3.23Å; E290-R379 IonicContact OE2-NE 3.9Å; E290-R379 IonicContact OE2-NH1 3.69Å; E290-R379 IonicContact OE2-NH2 3.44Å; E290-R379 PolarHBondContact OE2-NH2 3.42Å; L325-R379 WeakPolarHBondContact O-CG 3.34Å; Q327-R379 HydrophobicContact CG-CB 3.65Å; Q327-R379 WeakPolarHBondContact CG-O 3.2Å; Q327-R379 PolarHBondContact NE2-O 2.97Å; Q327-R379 VanDerWaalsContact NE2-O 3.13Å; V377-R379 HydrophobicContact CG1-CG 4.46Å; V377-R379 PolarHBondContact O-N 3.45Å
380	K	81.4	Confident	82.4	Confident	62 Å²	62	33 Å²	33	27%	0.27	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-82.1	135.6	175.9	-168.8	-176.7	168.8	178.2	0	109.3	L321 S326 Q327 N383	L321-K380 HydrophobicContact CD1-CB 4.26Å; S326-K380 CarbonylContact C-O 3.42Å; S326-K380 VanDerWaalsContact CA-O 3.22Å; S326-K380 WeakPolarHBondContact CA-O 3.3Å; S326-K380 WeakPolarHBondContact CB-O 3.45Å; Q327-K380 PolarHBondContact N-O 3.02Å; K380-N383 WeakPolarHBondContact CE-OD1 3.41Å; K380-N383 PolarHBondContact NZ-OD1 3.4Å
381	P	88.5	Confident	82.6	Confident	17 Å²	17	31.5 Å²	31.5	11%	0.11	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-67.5	169.9	169.1	29.7	-35.1	0	0	0	111.7	Q327 R329 F331 N383	Q327-P381 HydrophobicContact CB-CB 4.48Å; R329-P381 WeakPolarHBondContact O-CA 3.37Å; R329-P381 VanDerWaalsContact O-CB 3.3Å; R329-P381 WeakPolarHBondContact O-CB 3.22Å; F331-P381 HydrophobicContact CB-CB 4.4Å; F331-P381 HydrophobicContact CB-CG 3.91Å; F331-P381 HydrophobicContact CD2-CG 3.83Å; F331-P381 HydrophobicContact CG-CG 4.38Å; P381-N383 PolarHBondContact O-N 3.27Å
382	F	88.5	Confident	83	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-62.4	136.8	173.9	-54.8	-52.1	0	0	0	110.4	S326 Q327 R329 F331 P384 W603 L606 I607 L610	S326-F382 VanDerWaalsContact CB-CE1 3.48Å; Q327-F382 WeakPolarHBondContact O-CE2 3.38Å; Q327-F382 WeakPolarHBondContact O-CZ 3.43Å; R329-F382 WeakPolarHBondContact O-CD2 3.28Å; R329-F382 PolarHBondContact O-N 3.28Å; F331-F382 PolarHBondContact N-O 3.1Å; F382-P384 WeakPolarHBondContact O-CD 3.45Å; F382-W603 HydrophobicContact CB-CD2 3.95Å; F382-W603 HydrophobicContact CB-CE3 4.17Å; F382-W603 HydrophobicContact CB-CH2 3.88Å; F382-W603 HydrophobicContact CB-CZ2 3.66Å; F382-W603 HydrophobicContact CB-CZ3 4.13Å; F382-W603 HydrophobicContact CD1-CZ3 4.46Å; F382-W603 HydrophobicContact CD2-CB 4.2Å; F382-W603 AromaticContact CD2-CD2 3.71Å; F382-W603 HydrophobicContact CD2-CD2 3.71Å; F382-W603 AromaticContact CD2-CE3 3.89Å; F382-W603 HydrophobicContact CD2-CE3 3.89Å; F382-W603 AromaticContact CD2-CG 3.84Å; F382-W603 HydrophobicContact CD2-CG 3.84Å; F382-W603 HydrophobicContact CE2-CB 4.37Å; F382-W603 HydrophobicContact CE2-CD2 4.49Å; F382-W603 HydrophobicContact CE2-CE3 4.43Å; F382-W603 HydrophobicContact CE2-CG 4.48Å; F382-W603 AromaticContact CG-CD2 3.98Å; F382-W603 HydrophobicContact CG-CD2 3.98Å; F382-W603 AromaticContact CG-CE3 3.95Å; F382-W603 HydrophobicContact CG-CE3 3.95Å; F382-W603 HydrophobicContact CG-CH2 4.41Å; F382-W603 HydrophobicContact CG-CZ2 4.47Å; F382-W603 HydrophobicContact CG-CZ3 4.15Å; F382-L606 HydrophobicContact CD1-CD2 4Å; F382-L606 HydrophobicContact CD2-CD2 4.45Å; F382-L606 HydrophobicContact CE1-CD2 3.46Å; F382-L606 VanDerWaalsContact CE1-CD2 3.46Å; F382-L606 HydrophobicContact CE1-CG 4.39Å; F382-L606 HydrophobicContact CE2-CD2 3.97Å; F382-L606 HydrophobicContact CG-CD2 4.48Å; F382-L606 HydrophobicContact CZ-CD2 3.46Å; F382-L606 VanDerWaalsContact CZ-CD2 3.46Å; F382-L606 HydrophobicContact CZ-CG 4.01Å; F382-I607 HydrophobicContact CE2-CG1 4.14Å; F382-L610 HydrophobicContact CZ-CD1 3.97Å
383	N	87.7	Confident	83.6	Confident	43 Å²	43	29.6 Å²	29.6	23%	0.23	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-67.5	122.3	173.9	-74.4	-35.4	0	0	0	108	K380 P381 W603	K380-N383 WeakPolarHBondContact CE-OD1 3.41Å; K380-N383 PolarHBondContact NZ-OD1 3.4Å; P381-N383 PolarHBondContact O-N 3.27Å; N383-W603 WeakPolarHBondContact O-CZ2 3.49Å
384	P	90.9	Very high	84.5	Confident	8 Å²	8	28.7 Å²	28.7	5%	0.052	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-65.1	145.1	-176.6	-19.9	32.4	0	0	0	111.7	F331 L332 F382 E388 Q421	F331-P384 HydrophobicContact CB-CG 3.65Å; F331-P384 HydrophobicContact CD1-CG 4.29Å; F331-P384 HydrophobicContact CG-CG 4.49Å; L332-P384 HydrophobicContact CD1-CB 4.21Å; L332-P384 HydrophobicContact CD2-CB 4.04Å; L332-P384 HydrophobicContact CD2-CG 3.75Å; L332-P384 HydrophobicContact CG-CB 3.83Å; L332-P384 HydrophobicContact CG-CG 3.72Å; F382-P384 WeakPolarHBondContact O-CD 3.45Å; P384-E388 VanDerWaalsContact CA-OE2 3.25Å; P384-E388 WeakPolarHBondContact CA-OE2 3.47Å; P384-E388 HydrophobicContact CB-CB 4.33Å; P384-Q421 HydrophobicContact CB-CB 3.87Å; P384-Q421 HydrophobicContact CB-CG 3.88Å
385	V	89.3	Confident	85.8	Confident	4 Å²	4	20.9 Å²	20.9	2%	0.024	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-81.4	158.6	174.9	-61.3	0	0	0	0	111.4	G387 E388 Q421 V602 W603 I625 F629	V385-G387 PolarHBondContact O-N 3.39Å; V385-E388 HydrophobicContact CG2-CB 3.7Å; V385-E388 HydrophobicContact CG2-CG 4.22Å; V385-E388 PolarHBondContact N-OE2 2.92Å; V385-E388 WeakPolarHBondContact O-CB 3.33Å; V385-E388 PolarHBondContact O-N 3.04Å; V385-Q421 WeakPolarHBondContact O-CB 3.16Å; V385-Q421 WeakPolarHBondContact O-CG 3.49Å; V385-V602 HydrophobicContact CG2-CG1 4Å; V385-W603 HydrophobicContact CG1-CZ2 4.17Å; V385-I625 HydrophobicContact CG1-CG2 3.83Å; V385-F629 HydrophobicContact CB-CB 3.53Å; V385-F629 HydrophobicContact CB-CD1 4.36Å; V385-F629 HydrophobicContact CB-CD2 3.66Å; V385-F629 HydrophobicContact CB-CE2 4.47Å; V385-F629 HydrophobicContact CB-CG 3.59Å; V385-F629 HydrophobicContact CG1-CB 4.02Å; V385-F629 HydrophobicContact CG1-CD2 3.64Å; V385-F629 HydrophobicContact CG1-CE2 4.43Å; V385-F629 HydrophobicContact CG1-CG 4.06Å; V385-F629 HydrophobicContact CG2-CB 4.13Å; V385-F629 HydrophobicContact CG2-CD1 4.01Å; V385-F629 HydrophobicContact CG2-CD2 3.6Å; V385-F629 HydrophobicContact CG2-CE1 4.33Å; V385-F629 HydrophobicContact CG2-CE2 3.94Å; V385-F629 HydrophobicContact CG2-CG 3.64Å; V385-F629 HydrophobicContact CG2-CZ 4.29Å
386	A	87.2	Confident	87.2	Confident	22 Å²	22	19.2 Å²	19.2	18%	0.182	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	127.6	-179.1	0	0	0	0	0	111.1	E388 H424	A386-E388 PolarHBondContact O-N 3.31Å; A386-H424 HydrophobicContact CB-CB 4.36Å
387	G	89	Confident	88.1	Confident	5 Å²	5	18.1 Å²	18.1	5%	0.052	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	3.5	-176.1	0	0	0	0	0	114.8	V385 Q421	V385-G387 PolarHBondContact O-N 3.39Å; G387-Q421 PolarHBondContact N-O 2.76Å
388	E	93.5	Very high	88.2	Confident	0 Å²	0	19 Å²	19	0%	0	13%	0.125	C	C	.	.			trans	-59.7	141.4	168.4	-165.4	-177.3	137.8	0	0	109.7	S330 L332 P384 V385 A386 E420 Q421 L597 S599 V602 W603	S330-E388 WeakPolarHBondContact CB-OE1 3.1Å; S330-E388 PolarHBondContact OG-OE1 3.46Å; L332-E388 HydrophobicContact CD1-CB 3.94Å; L332-E388 HydrophobicContact CD1-CG 3.9Å; L332-E388 WeakPolarHBondContact CD1-O 3.5Å; P384-E388 VanDerWaalsContact CA-OE2 3.25Å; P384-E388 WeakPolarHBondContact CA-OE2 3.47Å; P384-E388 HydrophobicContact CB-CB 4.33Å; V385-E388 HydrophobicContact CG2-CB 3.7Å; V385-E388 HydrophobicContact CG2-CG 4.22Å; V385-E388 PolarHBondContact N-OE2 2.92Å; V385-E388 WeakPolarHBondContact O-CB 3.33Å; V385-E388 PolarHBondContact O-N 3.04Å; A386-E388 PolarHBondContact O-N 3.31Å; E388-E420 CarbonylContact O-C 3.58Å; E388-E420 WeakPolarHBondContact O-CA 3.45Å; E388-Q421 HydrophobicContact CB-CB 4.42Å; E388-Q421 PolarHBondContact O-N 3.31Å; E388-L597 WeakPolarHBondContact CA-O 3.38Å; E388-S599 WeakPolarHBondContact OE1-CA 3.08Å; E388-S599 WeakPolarHBondContact OE1-CB 3.35Å; E388-S599 PolarHBondContact OE1-OG 3.06Å; E388-V602 HydrophobicContact CG-CG2 4.31Å; E388-W603 PolarHBondContact OE1-NE1 3.14Å; E388-W603 VanDerWaalsContact OE1-NE1 3.17Å; E388-W603 PolarHBondContact OE2-NE1 3.38Å
389	M	95.3	Very high	87.5	Confident	25 Å²	25	20.7 Å²	20.7	12%	0.123	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	155.7	178.6	62.3	-173.4	-62.7	0	0	111.7	T391 A419 E420 L597 E598 S599	M389-T391 HydrophobicContact CE-CG2 4.06Å; M389-A419 CarbonylContact C-O 3.54Å; M389-A419 VanDerWaalsContact CA-O 3.24Å; M389-A419 WeakPolarHBondContact CA-O 3.49Å; M389-E420 HydrophobicContact CB-CG 4.48Å; M389-L597 PolarHBondContact N-O 3.26Å; M389-E598 HydrophobicContact CG-CB 4.47Å; M389-E598 HydrophobicContact CG-CG 3.66Å; M389-E598 CarbonylContact O-C 3.54Å; M389-E598 WeakPolarHBondContact O-CA 3.11Å; M389-E598 HydrophobicContact SD-CG 4.2Å; M389-S599 PolarHBondContact O-N 2.76Å; M389-S599 PolarHBondContact O-OG 2.82Å
390	F	97	Very high	86.3	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.6	171.3	-174.9	-99.4	0	0	0	109.9	L332 E333 C392 F417 H418 A419 I588 R600	L332-F390 HydrophobicContact CB-CB 3.68Å; E333-F390 HydrophobicContact CB-CD1 4.28Å; E333-F390 HydrophobicContact CB-CD2 3.77Å; E333-F390 HydrophobicContact CB-CE1 4.12Å; E333-F390 HydrophobicContact CB-CE2 3.6Å; E333-F390 HydrophobicContact CB-CG 4.1Å; E333-F390 HydrophobicContact CB-CZ 3.79Å; E333-F390 VanDerWaalsContact CD-CE2 3.48Å; E333-F390 HydrophobicContact CG-CD2 4.28Å; E333-F390 HydrophobicContact CG-CE1 4.08Å; E333-F390 HydrophobicContact CG-CE2 3.58Å; E333-F390 HydrophobicContact CG-CZ 3.46Å; E333-F390 VanDerWaalsContact CG-CZ 3.46Å; F390-C392 HydrophobicContact CE1-CB 3.81Å; F390-C392 HydrophobicContact CZ-CB 4.15Å; F390-F417 AromaticContact CD1-CD1 3.97Å; F390-F417 HydrophobicContact CD1-CD1 3.97Å; F390-F417 AromaticContact CD1-CE1 3.89Å; F390-F417 HydrophobicContact CD1-CE1 3.89Å; F390-F417 HydrophobicContact CE1-CD1 4.4Å; F390-H418 WeakPolarHBondContact O-CA 3.42Å; F390-A419 PolarHBondContact N-O 2.93Å; F390-A419 PolarHBondContact O-N 3.3Å; F390-I588 HydrophobicContact CE2-CD1 3.65Å; F390-I588 HydrophobicContact CZ-CD1 3.78Å; F390-R600 HydrophobicContact CE2-CG 4.45Å
391	T	96.2	Very high	84.8	Confident	3 Å²	3	24.1 Å²	24.1	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	133.3	178.8	67.3	0	0	0	0	110	M389 F417 H418 R589 E598	M389-T391 HydrophobicContact CE-CG2 4.06Å; T391-F417 WeakPolarHBondContact CA-O 3.27Å; T391-H418 WeakPolarHBondContact CG2-CD2 3.18Å; T391-R589 PolarHBondContact OG1-NH2 3.37Å; T391-E598 PolarHBondContact OG1-OE2 2.94Å
392	C	96.4	Very high	82.8	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	175.3	172.9	75.1	0	0	0	0	110.2	F390 F417 R586 F587 I588	F390-C392 HydrophobicContact CE1-CB 3.81Å; F390-C392 HydrophobicContact CZ-CB 4.15Å; C392-F417 PolarHBondContact N-O 3.38Å; C392-F417 VanDerWaalsContact N-O 3.1Å; C392-F417 PolarHBondContact O-N 3.05Å; C392-R586 HydrophobicContact CB-CG 4.1Å; C392-F587 WeakPolarHBondContact CA-O 3.34Å; C392-F587 WeakPolarHBondContact CB-O 3.39Å; C392-I588 HydrophobicContact CB-CB 4.47Å
393	S	96.3	Very high	80.9	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.007	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	150.5	170.3	-59.2	0	0	0	0	111.1	E281 K414 V415 R586 F587	E281-S393 VanDerWaalsContact CD-OG 3.3Å; E281-S393 PolarHBondContact OE1-N 3.48Å; E281-S393 PolarHBondContact OE1-OG 3.01Å; E281-S393 VanDerWaalsContact OE2-CB 3.29Å; E281-S393 WeakPolarHBondContact OE2-CB 3.38Å; E281-S393 PolarHBondContact OE2-OG 3.3Å; S393-K414 WeakPolarHBondContact OG-CE 3.04Å; S393-V415 CarbonylContact C-O 3.49Å; S393-V415 VanDerWaalsContact CA-O 3.29Å; S393-V415 WeakPolarHBondContact CA-O 3.3Å; S393-R586 CarbonylContact O-C 3.54Å; S393-R586 WeakPolarHBondContact O-CA 3.23Å; S393-F587 PolarHBondContact N-O 2.73Å; S393-F587 PolarHBondContact O-N 3.32Å
394	W	95.6	Very high	78.9	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.6	175.4	-69.1	92.6	0	0	0	110.1	S336 L339 A340 T342 K414 V415 R583 G584 T585 R586	S336-W394 WeakPolarHBondContact O-CZ2 3.34Å; S336-W394 PolarHBondContact O-NE1 2.82Å; S336-W394 VanDerWaalsContact O-NE1 3.13Å; L339-W394 HydrophobicContact CB-CG 4.29Å; A340-W394 HydrophobicContact CB-CE3 4.33Å; A340-W394 HydrophobicContact CB-CH2 3.49Å; A340-W394 VanDerWaalsContact CB-CH2 3.49Å; A340-W394 HydrophobicContact CB-CZ2 4.06Å; A340-W394 HydrophobicContact CB-CZ3 3.65Å; T342-W394 HydrophobicContact CG2-CB 3.83Å; W394-K414 CarbonylContact O-C 3.58Å; W394-K414 WeakPolarHBondContact O-CA 2.94Å; W394-V415 HydrophobicContact CB-CB 4.39Å; W394-V415 PolarHBondContact N-O 3.37Å; W394-V415 PolarHBondContact O-N 3.03Å; W394-R583 HydrophobicContact CZ3-CG 4.33Å; W394-G584 WeakPolarHBondContact CZ3-O 3.47Å; W394-T585 WeakPolarHBondContact CA-O 3.44Å; W394-R586 HydrophobicContact CD2-CB 4.05Å; W394-R586 HydrophobicContact CD2-CG 4.43Å; W394-R586 HydrophobicContact CE3-CB 3.83Å; W394-R586 HydrophobicContact CH2-CB 3.89Å; W394-R586 HydrophobicContact CZ2-CB 4.09Å; W394-R586 HydrophobicContact CZ2-CG 4.23Å; W394-R586 HydrophobicContact CZ3-CB 3.75Å
395	V	93.7	Very high	76.8	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.7	175.1	-178.1	0	0	0	0	108.2	S397 N399 F410 K414 G584 T585 F587	V395-S397 PolarHBondContact O-N 3.29Å; V395-N399 HydrophobicContact CG1-CB 4.11Å; V395-F410 HydrophobicContact CG2-CD1 4.34Å; V395-F410 HydrophobicContact CG2-CE1 4.37Å; V395-K414 HydrophobicContact CG2-CB 4.35Å; V395-K414 HydrophobicContact CG2-CG 4.1Å; V395-G584 CarbonylContact O-C 3.35Å; V395-G584 WeakPolarHBondContact O-CA 3.22Å; V395-T585 PolarHBondContact N-O 3.37Å; V395-T585 PolarHBondContact O-N 3.22Å; V395-F587 HydrophobicContact CB-CD2 4.29Å; V395-F587 HydrophobicContact CB-CE2 3.88Å; V395-F587 HydrophobicContact CG2-CD2 3.73Å; V395-F587 HydrophobicContact CG2-CE2 3.62Å
396	P	91.2	Very high	74.8	Confident	13 Å²	13	50 Å²	50	8%	0.084	30%	0.302	C	S	.	.			trans	-56.5	138.3	174.1	-23.6	33.6	0	0	0	111.7	T342 V346 G398 N399	T342-P396 HydrophobicContact CG2-CG 3.98Å; V346-P396 HydrophobicContact CG2-CG 4.47Å; P396-G398 PolarHBondContact O-N 3.32Å; P396-N399 WeakPolarHBondContact O-CB 3.49Å; P396-N399 PolarHBondContact O-N 3.34Å
397	S	78.4	Confident	72.9	Confident	34 Å²	34	53.6 Å²	53.6	24%	0.238	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-58.5	-43	-170	-43.1	0	0	0	0	113.3	V395 N399 Y400 R583 G584	V395-S397 PolarHBondContact O-N 3.29Å; S397-N399 PolarHBondContact O-N 3.34Å; S397-Y400 PolarHBondContact O-N 3.28Å; S397-R583 VanDerWaalsContact OG-C 3.23Å; S397-R583 PolarHBondContact OG-O 2.87Å; S397-G584 WeakPolarHBondContact OG-CA 3.47Å
398	G	67.5	Low	70.8	Confident	67 Å²	67	58.4 Å²	58.4	69%	0.691	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-62.9	-10.5	177.6	0	0	0	0	0	115.4	P396	P396-G398 PolarHBondContact O-N 3.32Å
399	N	57.9	Low	68.4	Low	73 Å²	73	63.3 Å²	63.3	39%	0.39	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-99.5	-8.4	-179.9	-65.7	-21.8	0	0	0	113.6	V395 P396 S397 V401 T412	V395-N399 HydrophobicContact CG1-CB 4.11Å; P396-N399 WeakPolarHBondContact O-CB 3.49Å; P396-N399 PolarHBondContact O-N 3.34Å; S397-N399 PolarHBondContact O-N 3.34Å; N399-V401 PolarHBondContact O-N 3.33Å; N399-T412 HydrophobicContact CB-CG2 3.95Å; N399-T412 WeakPolarHBondContact CB-OG1 3.33Å; N399-T412 WeakPolarHBondContact ND2-CB 3.37Å
400	Y	51.5	Low	66.2	Low	90 Å²	90	65.8 Å²	65.8	35%	0.353	40%	0.401	S	S	.	.			trans	-88.3	93.3	175.4	-175	-103.8	0	0	0	109.5	P283 S397 D402 F587	P283-Y400 HydrophobicContact CG-CE2 3.91Å; S397-Y400 PolarHBondContact O-N 3.28Å; Y400-D402 HydrophobicContact CE1-CB 4.03Å; Y400-D402 VanDerWaalsContact CE1-OD1 3.27Å; Y400-D402 WeakPolarHBondContact CE1-OD1 3.34Å; Y400-D402 VanDerWaalsContact CZ-OD1 3.3Å; Y400-D402 PolarHBondContact OH-OD1 3.32Å; Y400-F587 HydrophobicContact CD2-CE2 4.4Å; Y400-F587 AromaticContact CD2-CZ 3.63Å; Y400-F587 HydrophobicContact CD2-CZ 3.63Å; Y400-F587 HydrophobicContact CE2-CE1 4.25Å; Y400-F587 AromaticContact CE2-CZ 3.7Å; Y400-F587 HydrophobicContact CE2-CZ 3.7Å
401	V	49.1	Very low	63.8	Low	98 Å²	98	71 Å²	71	59%	0.594	44%	0.437	S	S	*	.			trans	-85.9	121.2	161.6	-173.7	0	0	0	0	106.6	N399 Q403	N399-V401 PolarHBondContact O-N 3.33Å; V401-Q403 HydrophobicContact CB-CG 3.93Å; V401-Q403 HydrophobicContact CG1-CG 3.6Å; V401-Q403 PolarHBondContact O-N 3.47Å
402	D	46.4	Very low	62	Low	126 Å²	126	72.8 Å²	72.8	67%	0.674	45%	0.449	S	S	*	.			trans	-67.1	72.4	178.1	-144.3	16.5	0	0	0	109.2	Y400 S404	Y400-D402 HydrophobicContact CE1-CB 4.03Å; Y400-D402 VanDerWaalsContact CE1-OD1 3.27Å; Y400-D402 WeakPolarHBondContact CE1-OD1 3.34Å; Y400-D402 VanDerWaalsContact CZ-OD1 3.3Å; Y400-D402 PolarHBondContact OH-OD1 3.32Å; D402-S404 PolarHBondContact O-N 2.81Å
403	Q	48.9	Very low	61	Low	131 Å²	131	74.3 Å²	74.3	61%	0.612	46%	0.459	S	S	*	.			trans	-89.4	102.7	-174.4	-68	-174.5	25.9	0	0	109.3	V401 A405	V401-Q403 HydrophobicContact CB-CG 3.93Å; V401-Q403 HydrophobicContact CG1-CG 3.6Å; V401-Q403 PolarHBondContact O-N 3.47Å; Q403-A405 HydrophobicContact CB-CB 4.33Å; Q403-A405 PolarHBondContact O-N 3.48Å
404	S	45.1	Very low	60.8	Low	136 Å²	136	74.7 Å²	74.7	95%	0.951	46%	0.461	S	S	*	.			trans	-63.4	33.4	155.9	47.3	0	0	0	0	113.1	D402	D402-S404 PolarHBondContact O-N 2.81Å
405	A	46.9	Very low	60.8	Low	58 Å²	58	74.7 Å²	74.7	48%	0.479	46%	0.461	S	S	.	.	S	Bend	trans	-124.5	132.4	-179.6	0	0	0	0	0	109.8	Q403 S407	Q403-A405 HydrophobicContact CB-CB 4.33Å; Q403-A405 PolarHBondContact O-N 3.48Å; A405-S407 PolarHBondContact O-N 2.8Å
406	D	46.8	Very low	60.8	Low	164 Å²	164	76.9 Å²	76.9	88%	0.877	47%	0.469	S	S	*	.	S	Bend	trans	-48.1	117.3	-170.8	-67.3	-52.1	0	0	0	113.8
407	S	47.7	Very low	61.1	Low	97 Å²	97	76.3 Å²	76.3	68%	0.678	47%	0.465	S	S	*	.			trans	90.8	104	174.6	-43.7	0	0	0	0	115.5	A405 S409	A405-S407 PolarHBondContact O-N 2.8Å; S407-S409 VanDerWaalsContact C-N 3.32Å; S407-S409 PolarHBondContact O-N 3.32Å
408	P	44.5	Very low	62	Low	106 Å²	106	75 Å²	75	69%	0.688	46%	0.455	S	S	*	.			trans	-68.3	91.6	167.5	28.4	-31.3	0	0	0	109	F410	P408-F410 HydrophobicContact CB-CD2 4.34Å; P408-F410 HydrophobicContact CB-CE2 3.81Å; P408-F410 HydrophobicContact CB-CZ 4Å; P408-F410 HydrophobicContact CG-CE2 3.95Å; P408-F410 HydrophobicContact CG-CZ 4.38Å; P408-F410 VanDerWaalsContact O-CD2 3.31Å; P408-F410 WeakPolarHBondContact O-CD2 3.35Å; P408-F410 PolarHBondContact O-N 2.88Å
409	S	44.4	Very low	63.4	Low	104 Å²	104	72 Å²	72	73%	0.727	42%	0.423	S	S	*	.			trans	-73.3	94.4	167.2	178.5	0	0	0	0	108	S407 S411	S407-S409 VanDerWaalsContact C-N 3.32Å; S407-S409 PolarHBondContact O-N 3.32Å; S409-S411 PolarHBondContact O-N 2.91Å
410	F	48.3	Very low	65.2	Low	76 Å²	76	69.3 Å²	69.3	33%	0.333	41%	0.408	S	S	.	.			trans	-70.8	67.6	170.5	-60.7	-83.9	0	0	0	109.5	V395 P408 T412 F587	V395-F410 HydrophobicContact CG2-CD1 4.34Å; V395-F410 HydrophobicContact CG2-CE1 4.37Å; P408-F410 HydrophobicContact CB-CD2 4.34Å; P408-F410 HydrophobicContact CB-CE2 3.81Å; P408-F410 HydrophobicContact CB-CZ 4Å; P408-F410 HydrophobicContact CG-CE2 3.95Å; P408-F410 HydrophobicContact CG-CZ 4.38Å; P408-F410 VanDerWaalsContact O-CD2 3.31Å; P408-F410 WeakPolarHBondContact O-CD2 3.35Å; P408-F410 PolarHBondContact O-N 2.88Å; F410-T412 PolarHBondContact O-N 2.76Å; F410-F587 HydrophobicContact CE1-CE1 4.06Å; F410-F587 HydrophobicContact CE1-CZ 4.14Å; F410-F587 HydrophobicContact CZ-CD1 4.42Å; F410-F587 HydrophobicContact CZ-CE1 4.15Å
411	S	48	Very low	67.2	Low	109 Å²	109	65.3 Å²	65.3	76%	0.762	39%	0.393	S	S	*	.			trans	-71.2	-3.8	173.9	-177.4	0	0	0	0	112.4	S409	S409-S411 PolarHBondContact O-N 2.91Å
412	T	56.8	Low	69.2	Low	42 Å²	42	62.9 Å²	62.9	26%	0.258	38%	0.376	S	S	.	.	S	Bend	trans	-110.3	154.5	-172	58.8	0	0	0	0	111.5	N399 F410 K414	N399-T412 HydrophobicContact CB-CG2 3.95Å; N399-T412 WeakPolarHBondContact CB-OG1 3.33Å; N399-T412 WeakPolarHBondContact ND2-CB 3.37Å; F410-T412 PolarHBondContact O-N 2.76Å; T412-K414 VanDerWaalsContact C-N 3.29Å; T412-K414 PolarHBondContact O-N 2.92Å
413	S	76.9	Confident	71	Confident	32 Å²	32	58.6 Å²	58.6	22%	0.224	36%	0.355	C	S	.	.			trans	-59.4	75.6	-168.8	-46.5	0	0	0	0	114.8	V346	V346-S413 WeakPolarHBondContact CG1-OG 3.28Å; V346-S413 WeakPolarHBondContact CG2-O 3.24Å
414	K	90.4	Very high	72.4	Confident	10 Å²	10	55 Å²	55	4%	0.043	34%	0.339	C	S	.	.			trans	-66.5	136.3	172.7	-177.6	177.8	178.9	-176.8	0	109.6	E278 E281 S393 W394 V395 T412 T435 S436	E278-K414 IonicContact OE2-NZ 2.63Å; E281-K414 VanDerWaalsContact OE2-CE 3.24Å; E281-K414 WeakPolarHBondContact OE2-CE 3.08Å; E281-K414 IonicContact OE2-NZ 3.3Å; E281-K414 PolarHBondContact OE2-NZ 3.49Å; S393-K414 WeakPolarHBondContact OG-CE 3.04Å; W394-K414 CarbonylContact O-C 3.58Å; W394-K414 WeakPolarHBondContact O-CA 2.94Å; V395-K414 HydrophobicContact CG2-CB 4.35Å; V395-K414 HydrophobicContact CG2-CG 4.1Å; T412-K414 VanDerWaalsContact C-N 3.29Å; T412-K414 PolarHBondContact O-N 2.92Å; K414-T435 CarbonylContact O-C 3.55Å; K414-T435 VanDerWaalsContact O-CA 3.31Å; K414-T435 WeakPolarHBondContact O-CA 3.45Å; K414-S436 PolarHBondContact O-N 2.73Å
415	V	95.9	Very high	73.8	Confident	0 Å²	0	54 Å²	54	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111	176.1	-176	0	0	0	0	108.9	L339 T342 F345 V346 S393 W394 A433 S434 T435	L339-V415 HydrophobicContact CD1-CG1 4.16Å; L339-V415 HydrophobicContact CD2-CG1 4.28Å; T342-V415 HydrophobicContact CG2-CB 4.31Å; T342-V415 HydrophobicContact CG2-CG2 3.7Å; F345-V415 HydrophobicContact CD1-CG1 3.99Å; F345-V415 HydrophobicContact CD1-CG2 3.83Å; F345-V415 HydrophobicContact CE1-CG1 3.83Å; F345-V415 HydrophobicContact CE1-CG2 4.31Å; V346-V415 HydrophobicContact CG2-CG2 3.77Å; S393-V415 CarbonylContact C-O 3.49Å; S393-V415 VanDerWaalsContact CA-O 3.29Å; S393-V415 WeakPolarHBondContact CA-O 3.3Å; W394-V415 HydrophobicContact CB-CB 4.39Å; W394-V415 PolarHBondContact N-O 3.37Å; W394-V415 PolarHBondContact O-N 3.03Å; V415-A433 HydrophobicContact CG1-CB 4.22Å; V415-S434 CarbonylContact C-O 3.56Å; V415-S434 WeakPolarHBondContact CA-O 3.29Å; V415-T435 HydrophobicContact CG2-CG2 4.23Å
416	R	95.2	Very high	75.3	Confident	48 Å²	48	54.9 Å²	54.9	18%	0.181	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142.3	177	-62.4	-178.7	-62.8	161.4	2.4	109.6	E278 A433 S434	E278-R416 WeakPolarHBondContact OE1-CD 3.01Å; E278-R416 IonicContact OE1-CZ 3.18Å; E278-R416 IonicContact OE1-NE 3.66Å; E278-R416 IonicContact OE1-NH1 3.16Å; E278-R416 PolarHBondContact OE1-NH1 2.79Å; R416-A433 CarbonylContact O-C 3.56Å; R416-A433 WeakPolarHBondContact O-CA 3.3Å; R416-A433 VanDerWaalsContact O-CB 3.3Å; R416-A433 WeakPolarHBondContact O-CB 3.03Å; R416-S434 PolarHBondContact N-O 2.93Å; R416-S434 PolarHBondContact O-N 2.87Å
417	F	97.3	Very high	77.1	Confident	1 Å²	1	48.5 Å²	48.5	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.5	179.4	176.6	-98.5	0	0	0	110.9	C335 S336 L339 F390 T391 C392 A419 I431 F432 A433	C335-F417 HydrophobicContact CB-CZ 3.93Å; S336-F417 VanDerWaalsContact CB-CD1 3.48Å; L339-F417 HydrophobicContact CD1-CB 3.97Å; L339-F417 HydrophobicContact CD1-CD2 3.55Å; L339-F417 HydrophobicContact CD1-CE2 4.42Å; L339-F417 HydrophobicContact CD1-CG 4.11Å; F390-F417 AromaticContact CD1-CD1 3.97Å; F390-F417 HydrophobicContact CD1-CD1 3.97Å; F390-F417 AromaticContact CD1-CE1 3.89Å; F390-F417 HydrophobicContact CD1-CE1 3.89Å; F390-F417 HydrophobicContact CE1-CD1 4.4Å; T391-F417 WeakPolarHBondContact CA-O 3.27Å; C392-F417 PolarHBondContact N-O 3.38Å; C392-F417 VanDerWaalsContact N-O 3.1Å; C392-F417 PolarHBondContact O-N 3.05Å; F417-A419 HydrophobicContact CE1-CB 3.65Å; F417-A419 HydrophobicContact CZ-CB 3.65Å; F417-I431 HydrophobicContact CE2-CB 4.07Å; F417-I431 HydrophobicContact CE2-CG2 4.2Å; F417-I431 HydrophobicContact CZ-CB 4.39Å; F417-I431 HydrophobicContact CZ-CG2 4.05Å; F417-F432 CarbonylContact C-O 3.53Å; F417-F432 WeakPolarHBondContact CA-O 3.41Å; F417-A433 HydrophobicContact CD2-CB 4.2Å
418	H	96.7	Very high	79.1	Confident	8 Å²	8	44.6 Å²	44.6	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135	173.9	-67.9	76.4	0	0	0	109	F390 T391 I431 F432 F641 Y651	F390-H418 WeakPolarHBondContact O-CA 3.42Å; T391-H418 WeakPolarHBondContact CG2-CD2 3.18Å; H418-I431 CarbonylContact O-C 3.54Å; H418-I431 WeakPolarHBondContact O-CA 3.38Å; H418-F432 PolarHBondContact N-O 3.19Å; H418-F432 PolarHBondContact O-N 3.1Å; H418-F641 HydrophobicContact CB-CZ 4.47Å; H418-Y651 HydrophobicContact CB-CD2 4.41Å; H418-Y651 HydrophobicContact CB-CE2 3.84Å; H418-Y651 AromaticContact CG-CE2 3.81Å
419	A	97.5	Very high	81.5	Confident	2 Å²	2	39.7 Å²	39.7	2%	0.017	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	147.6	171.5	0	0	0	0	0	110.8	L332 M389 F390 F417 T429 A430 I431	L332-A419 HydrophobicContact CB-CB 4.09Å; L332-A419 HydrophobicContact CD2-CB 4.28Å; M389-A419 CarbonylContact C-O 3.54Å; M389-A419 VanDerWaalsContact CA-O 3.24Å; M389-A419 WeakPolarHBondContact CA-O 3.49Å; F390-A419 PolarHBondContact N-O 2.93Å; F390-A419 PolarHBondContact O-N 3.3Å; F417-A419 HydrophobicContact CE1-CB 3.65Å; F417-A419 HydrophobicContact CZ-CB 3.65Å; A419-T429 HydrophobicContact CB-CG2 4.45Å; A419-A430 CarbonylContact C-O 3.55Å; A419-A430 VanDerWaalsContact CA-O 3.23Å; A419-A430 WeakPolarHBondContact CA-O 3.23Å; A419-I431 HydrophobicContact CB-CG2 3.93Å
420	E	95.6	Very high	83.9	Confident	18 Å²	18	34.7 Å²	34.7	8%	0.084	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	139.8	178.1	-166.7	177.3	139.8	0	0	111.1	E388 M389 M422 T429 A430 S639 R640 F641	E388-E420 CarbonylContact O-C 3.58Å; E388-E420 WeakPolarHBondContact O-CA 3.45Å; M389-E420 HydrophobicContact CB-CG 4.48Å; E420-M422 HydrophobicContact CB-SD 3.85Å; E420-M422 HydrophobicContact CG-SD 3.83Å; E420-M422 PolarHBondContact O-N 2.7Å; E420-T429 CarbonylContact O-C 3.55Å; E420-T429 WeakPolarHBondContact O-CA 3.29Å; E420-A430 PolarHBondContact N-O 2.88Å; E420-A430 PolarHBondContact O-N 2.86Å; E420-S639 WeakPolarHBondContact OE1-CB 3.3Å; E420-S639 PolarHBondContact OE1-OG 3Å; E420-S639 PolarHBondContact OE2-OG 3.01Å; E420-R640 PolarHBondContact OE2-N 3.06Å; E420-F641 HydrophobicContact CB-CD2 3.7Å; E420-F641 HydrophobicContact CB-CE2 3.85Å
421	Q	93.6	Very high	86.2	Confident	5 Å²	5	31.7 Å²	31.7	2%	0.023	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	89	174.6	-170.2	68.4	26.6	0	0	110.7	P384 V385 G387 E388 S423 V428 T429	P384-Q421 HydrophobicContact CB-CB 3.87Å; P384-Q421 HydrophobicContact CB-CG 3.88Å; V385-Q421 WeakPolarHBondContact O-CB 3.16Å; V385-Q421 WeakPolarHBondContact O-CG 3.49Å; G387-Q421 PolarHBondContact N-O 2.76Å; E388-Q421 HydrophobicContact CB-CB 4.42Å; E388-Q421 PolarHBondContact O-N 3.31Å; Q421-S423 PolarHBondContact NE2-O 3.39Å; Q421-S423 PolarHBondContact O-N 3.2Å; Q421-V428 CarbonylContact C-O 3.42Å; Q421-V428 PolarHBondContact NE2-O 3.02Å; Q421-T429 PolarHBondContact OE1-OG1 2.8Å
422	M	89.5	Confident	88.5	Confident	48 Å²	48	26.9 Å²	26.9	24%	0.236	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-29.1	-174	-58.2	-51	-61.4	0	0	114.5	E420 V428 A430 S639 F641 Y649	E420-M422 HydrophobicContact CB-SD 3.85Å; E420-M422 HydrophobicContact CG-SD 3.83Å; E420-M422 PolarHBondContact O-N 2.7Å; M422-V428 PolarHBondContact N-O 3.22Å; M422-A430 HydrophobicContact CG-CB 3.47Å; M422-A430 VanDerWaalsContact CG-CB 3.47Å; M422-A430 HydrophobicContact SD-CB 4.14Å; M422-S639 WeakPolarHBondContact CE-OG 3.29Å; M422-F641 HydrophobicContact CE-CB 3.84Å; M422-F641 HydrophobicContact SD-CB 3.75Å; M422-F641 HydrophobicContact SD-CD2 4.27Å; M422-F641 HydrophobicContact SD-CG 4.29Å; M422-Y649 HydrophobicContact CB-CD1 4.21Å; M422-Y649 HydrophobicContact CB-CE1 3.55Å; M422-Y649 HydrophobicContact CE-CD1 3.81Å; M422-Y649 HydrophobicContact CE-CE1 3.89Å; M422-Y649 HydrophobicContact CG-CD1 3.74Å; M422-Y649 HydrophobicContact CG-CE1 3.62Å; M422-Y649 HydrophobicContact CG-CG 4.28Å; M422-Y649 HydrophobicContact SD-CD1 4.41Å
423	S	85	Confident	90.4	Very high	35 Å²	35	24.9 Å²	24.9	25%	0.245	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	147.8	178.5	172.8	0	0	0	0	110.1	Q421 H425 P426 P427 V428	Q421-S423 PolarHBondContact NE2-O 3.39Å; Q421-S423 PolarHBondContact O-N 3.2Å; S423-H425 PolarHBondContact OG-N 2.6Å; S423-P426 CarbonylContact C-O 3.59Å; S423-P426 VanDerWaalsContact CB-O 3.29Å; S423-P426 WeakPolarHBondContact CB-O 3.43Å; S423-P426 PolarHBondContact OG-O 2.93Å; S423-P427 CarbonylContact O-C 3.52Å; S423-P427 VanDerWaalsContact O-CA 3.26Å; S423-P427 WeakPolarHBondContact O-CA 3.25Å; S423-V428 PolarHBondContact N-O 3.06Å; S423-V428 PolarHBondContact O-N 2.75Å
424	H	78.2	Confident	91.2	Very high	56 Å²	56	23.3 Å²	23.3	26%	0.259	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-27.9	176	-164.9	66.7	0	0	0	112.3	A386 P426	A386-H424 HydrophobicContact CB-CB 4.36Å; H424-P426 CarbonylContact C-O 3.59Å; H424-P426 CarbonylContact O-C 3.58Å
425	H	74.3	Confident	91.4	Very high	115 Å²	115	22.9 Å²	22.9	53%	0.532	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.1	88.3	-175.6	-66.9	-28.3	0	0	0	112.3	S423	S423-H425 PolarHBondContact OG-N 2.6Å
426	P	78.2	Confident	91.1	Very high	77 Å²	77	25.5 Å²	25.5	50%	0.5	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	cis	-73.4	158.9	0.9	31.4	-35.7	0	0	0	112.7	S423 H424 V428	S423-P426 CarbonylContact C-O 3.59Å; S423-P426 VanDerWaalsContact CB-O 3.29Å; S423-P426 WeakPolarHBondContact CB-O 3.43Å; S423-P426 PolarHBondContact OG-O 2.93Å; H424-P426 CarbonylContact C-O 3.59Å; H424-P426 CarbonylContact O-C 3.58Å; P426-V428 PolarHBondContact O-N 3.47Å
427	P	85.2	Confident	90.8	Very high	29 Å²	29	28.6 Å²	28.6	19%	0.188	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	126.2	175.7	27.9	-34.4	0	0	0	109.9	T317 S423 S447	T317-P427 HydrophobicContact CG2-CG 3.94Å; S423-P427 CarbonylContact O-C 3.52Å; S423-P427 VanDerWaalsContact O-CA 3.26Å; S423-P427 WeakPolarHBondContact O-CA 3.25Å; P427-S447 WeakPolarHBondContact O-CA 3.46Å; P427-S447 WeakPolarHBondContact O-CB 3.5Å; P427-S447 PolarHBondContact O-OG 2.99Å
428	V	90.5	Very high	90.5	Very high	15 Å²	15	32.2 Å²	32.2	9%	0.091	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	121.9	173.9	-176	0	0	0	0	108.6	Q421 M422 S423 P426 Y649	Q421-V428 CarbonylContact C-O 3.42Å; Q421-V428 PolarHBondContact NE2-O 3.02Å; M422-V428 PolarHBondContact N-O 3.22Å; S423-V428 PolarHBondContact N-O 3.06Å; S423-V428 PolarHBondContact O-N 2.75Å; P426-V428 PolarHBondContact O-N 3.47Å; V428-Y649 HydrophobicContact CG1-CE2 3.62Å
429	T	93.9	Very high	90.2	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.1	172.6	-59.7	0	0	0	0	108.5	L332 A419 E420 Q421 I431 S445 I446	L332-T429 HydrophobicContact CD2-CG2 3.28Å; A419-T429 HydrophobicContact CB-CG2 4.45Å; E420-T429 CarbonylContact O-C 3.55Å; E420-T429 WeakPolarHBondContact O-CA 3.29Å; Q421-T429 PolarHBondContact OE1-OG1 2.8Å; T429-I431 HydrophobicContact CG2-CG2 3.96Å; T429-S445 CarbonylContact O-C 3.55Å; T429-S445 VanDerWaalsContact O-CA 3.28Å; T429-S445 WeakPolarHBondContact O-CA 3.27Å; T429-I446 PolarHBondContact N-O 3.48Å; T429-I446 PolarHBondContact O-N 3.3Å
430	A	95.1	Very high	90.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	140.9	167.5	0	0	0	0	0	109.5	A419 E420 M422 G444 F641 Y649	A419-A430 CarbonylContact C-O 3.55Å; A419-A430 VanDerWaalsContact CA-O 3.23Å; A419-A430 WeakPolarHBondContact CA-O 3.23Å; E420-A430 PolarHBondContact N-O 2.88Å; E420-A430 PolarHBondContact O-N 2.86Å; M422-A430 HydrophobicContact CG-CB 3.47Å; M422-A430 VanDerWaalsContact CG-CB 3.47Å; M422-A430 HydrophobicContact SD-CB 4.14Å; A430-G444 WeakPolarHBondContact CA-O 3.43Å; A430-F641 HydrophobicContact CB-CB 4.34Å; A430-F641 HydrophobicContact CB-CD1 3.66Å; A430-F641 HydrophobicContact CB-CD2 4.13Å; A430-F641 HydrophobicContact CB-CE1 3.87Å; A430-F641 HydrophobicContact CB-CE2 4.32Å; A430-F641 HydrophobicContact CB-CG 3.78Å; A430-F641 HydrophobicContact CB-CZ 4.2Å; A430-Y649 HydrophobicContact CB-CD2 4.22Å; A430-Y649 HydrophobicContact CB-CG 3.95Å
431	I	96.1	Very high	90.1	Very high	13 Å²	13	32.5 Å²	32.5	7%	0.067	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.7	176.6	64	166.2	0	0	0	111.1	C335 F417 H418 A419 T429 L442 T443 G444 I446	C335-I431 HydrophobicContact CB-CG2 4.32Å; F417-I431 HydrophobicContact CE2-CB 4.07Å; F417-I431 HydrophobicContact CE2-CG2 4.2Å; F417-I431 HydrophobicContact CZ-CB 4.39Å; F417-I431 HydrophobicContact CZ-CG2 4.05Å; H418-I431 CarbonylContact O-C 3.54Å; H418-I431 WeakPolarHBondContact O-CA 3.38Å; A419-I431 HydrophobicContact CB-CG2 3.93Å; T429-I431 HydrophobicContact CG2-CG2 3.96Å; I431-L442 HydrophobicContact CD1-CD2 4.37Å; I431-T443 WeakPolarHBondContact O-CA 3.37Å; I431-T443 PolarHBondContact O-OG1 3.47Å; I431-G444 WeakPolarHBondContact CG1-O 3.07Å; I431-G444 PolarHBondContact N-O 3.47Å; I431-G444 PolarHBondContact O-N 3.32Å; I431-G444 VanDerWaalsContact O-N 3.07Å; I431-I446 HydrophobicContact CD1-CD1 3.98Å; I431-I446 HydrophobicContact CG2-CD1 4.38Å
432	F	96.1	Very high	90.2	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	138.7	171.8	174.5	-107.2	0	0	0	109.8	F417 H418 L441 L442 F641 Y651 I654	F417-F432 CarbonylContact C-O 3.53Å; F417-F432 WeakPolarHBondContact CA-O 3.41Å; H418-F432 PolarHBondContact N-O 3.19Å; H418-F432 PolarHBondContact O-N 3.1Å; F432-L441 HydrophobicContact CE2-CD2 3.96Å; F432-L441 HydrophobicContact CZ-CD2 4.07Å; F432-L442 CarbonylContact C-O 3.47Å; F432-L442 WeakPolarHBondContact CA-O 3.47Å; F432-F641 HydrophobicContact CB-CE1 3.79Å; F432-F641 HydrophobicContact CB-CZ 3.82Å; F432-Y651 HydrophobicContact CB-CD2 3.9Å; F432-Y651 HydrophobicContact CB-CG 3.91Å; F432-Y651 AromaticContact CD1-CD1 3.48Å; F432-Y651 HydrophobicContact CD1-CD1 3.48Å; F432-Y651 VanDerWaalsContact CD1-CD1 3.48Å; F432-Y651 AromaticContact CD1-CD2 3.86Å; F432-Y651 HydrophobicContact CD1-CD2 3.86Å; F432-Y651 AromaticContact CD1-CE1 3.81Å; F432-Y651 HydrophobicContact CD1-CE1 3.81Å; F432-Y651 HydrophobicContact CD1-CE2 4.16Å; F432-Y651 AromaticContact CD1-CG 3.53Å; F432-Y651 HydrophobicContact CD1-CG 3.53Å; F432-Y651 HydrophobicContact CD2-CD1 4.48Å; F432-Y651 HydrophobicContact CD2-CG 4.25Å; F432-Y651 AromaticContact CE1-CD1 3.53Å; F432-Y651 HydrophobicContact CE1-CD1 3.53Å; F432-Y651 AromaticContact CE1-CE1 3.77Å; F432-Y651 HydrophobicContact CE1-CE1 3.77Å; F432-Y651 HydrophobicContact CE1-CG 4.06Å; F432-Y651 AromaticContact CG-CD1 3.97Å; F432-Y651 HydrophobicContact CG-CD1 3.97Å; F432-Y651 HydrophobicContact CG-CD2 4.03Å; F432-Y651 AromaticContact CG-CG 3.62Å; F432-Y651 HydrophobicContact CG-CG 3.62Å; F432-Y651 HydrophobicContact CZ-CD1 4.07Å; F432-I654 HydrophobicContact CD2-CD1 3.73Å; F432-I654 HydrophobicContact CD2-CG1 4.27Å; F432-I654 HydrophobicContact CE2-CD1 3.41Å; F432-I654 VanDerWaalsContact CE2-CD1 3.41Å; F432-I654 HydrophobicContact CE2-CG1 3.59Å; F432-I654 HydrophobicContact CZ-CD1 4.21Å; F432-I654 HydrophobicContact CZ-CG1 3.86Å
433	A	96.4	Very high	90.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	151.8	167.4	0	0	0	0	0	111.6	L339 V415 R416 F417 L441 L442	L339-A433 HydrophobicContact CD1-CB 3.43Å; L339-A433 VanDerWaalsContact CD1-CB 3.43Å; L339-A433 HydrophobicContact CD2-CB 4.34Å; V415-A433 HydrophobicContact CG1-CB 4.22Å; R416-A433 CarbonylContact O-C 3.56Å; R416-A433 WeakPolarHBondContact O-CA 3.3Å; R416-A433 VanDerWaalsContact O-CB 3.3Å; R416-A433 WeakPolarHBondContact O-CB 3.03Å; F417-A433 HydrophobicContact CD2-CB 4.2Å; A433-L441 CarbonylContact O-C 3.58Å; A433-L441 WeakPolarHBondContact O-CA 3.45Å; A433-L442 HydrophobicContact CB-CB 4.12Å; A433-L442 PolarHBondContact N-O 3.37Å; A433-L442 PolarHBondContact O-N 2.93Å
434	S	95.1	Very high	90.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	140.5	177.7	177	0	0	0	0	110.1	V415 R416 V440	V415-S434 CarbonylContact C-O 3.56Å; V415-S434 WeakPolarHBondContact CA-O 3.29Å; R416-S434 PolarHBondContact N-O 2.93Å; R416-S434 PolarHBondContact O-N 2.87Å; S434-V440 WeakPolarHBondContact CA-O 3.39Å
435	T	94.3	Very high	91.5	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	157.2	162.2	58.7	0	0	0	0	110.3	F345 V346 K414 V415 N437 R438 D439 V440	F345-T435 HydrophobicContact CD1-CG2 4.48Å; F345-T435 HydrophobicContact CE1-CG2 4.29Å; V346-T435 HydrophobicContact CG2-CG2 4.28Å; K414-T435 CarbonylContact O-C 3.55Å; K414-T435 VanDerWaalsContact O-CA 3.31Å; K414-T435 WeakPolarHBondContact O-CA 3.45Å; V415-T435 HydrophobicContact CG2-CG2 4.23Å; T435-N437 PolarHBondContact O-N 3.05Å; T435-R438 PolarHBondContact O-N 2.79Å; T435-R438 PolarHBondContact OG1-N 2.93Å; T435-D439 VanDerWaalsContact CB-OD1 3.24Å; T435-D439 WeakPolarHBondContact CB-OD1 3.44Å; T435-D439 WeakPolarHBondContact CG2-OD1 3.36Å; T435-D439 PolarHBondContact OG1-N 3.33Å; T435-D439 VanDerWaalsContact OG1-N 3.1Å; T435-D439 PolarHBondContact OG1-OD1 2.79Å; T435-V440 HydrophobicContact CG2-CB 3.92Å; T435-V440 HydrophobicContact CG2-CG2 4.33Å; T435-V440 PolarHBondContact N-O 2.71Å; T435-V440 PolarHBondContact OG1-N 2.77Å; T435-V440 PolarHBondContact OG1-O 2.9Å
436	S	90.4	Very high	92.4	Very high	54 Å²	54	22.8 Å²	22.8	38%	0.378	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-39.6	176.4	49.8	0	0	0	0	112.2	K414 R438	K414-S436 PolarHBondContact O-N 2.73Å; S436-R438 VanDerWaalsContact C-N 3.27Å; S436-R438 PolarHBondContact O-N 2.88Å
437	N	88.8	Confident	93	Very high	113 Å²	113	19.8 Å²	19.8	60%	0.604	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-3	178.6	-62.5	-13.2	0	0	0	113.5	T435 D439	T435-N437 PolarHBondContact O-N 3.05Å; N437-D439 PolarHBondContact O-N 3.11Å
438	R	89.4	Confident	93.1	Very high	78 Å²	78	20 Å²	20	29%	0.294	11%	0.11	S	C	.	.	S	Bend	trans	56.4	25.5	-175.5	-57.6	-178.3	165.5	-164.7	-13.2	113.6	T435 S436 L441 Y486 D653 P655	T435-R438 PolarHBondContact O-N 2.79Å; T435-R438 PolarHBondContact OG1-N 2.93Å; S436-R438 VanDerWaalsContact C-N 3.27Å; S436-R438 PolarHBondContact O-N 2.88Å; R438-L441 WeakPolarHBondContact O-CD1 3.47Å; R438-Y486 WeakPolarHBondContact O-CE1 3.33Å; R438-Y486 PolarHBondContact O-OH 2.66Å; R438-D653 PolarHBondContact NH2-O 3.07Å; R438-P655 VanDerWaalsContact NH1-CD 3.33Å
439	D	92	Very high	92.8	Very high	31 Å²	31	24.3 Å²	24.3	17%	0.166	13%	0.128	C	C	.	.	S	Bend	trans	-81.5	-21.6	176.6	53.8	12.6	0	0	0	113.1	A349 T435 N437 V469 L470	A349-D439 HydrophobicContact CB-CB 3.77Å; T435-D439 VanDerWaalsContact CB-OD1 3.24Å; T435-D439 WeakPolarHBondContact CB-OD1 3.44Å; T435-D439 WeakPolarHBondContact CG2-OD1 3.36Å; T435-D439 PolarHBondContact OG1-N 3.33Å; T435-D439 VanDerWaalsContact OG1-N 3.1Å; T435-D439 PolarHBondContact OG1-OD1 2.79Å; N437-D439 PolarHBondContact O-N 3.11Å; D439-V469 CarbonylContact O-C 3.58Å; D439-V469 WeakPolarHBondContact O-CA 3.4Å; D439-L470 HydrophobicContact CB-CB 4.09Å; D439-L470 HydrophobicContact CB-CD2 4.27Å; D439-L470 PolarHBondContact O-N 3.03Å
440	V	95	Very high	92.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126.8	168.8	-167.4	0	0	0	0	109.1	F345 I348 A349 S434 T435 V467 A468	F345-V440 HydrophobicContact CD1-CG1 4.46Å; F345-V440 HydrophobicContact CD2-CG1 4.43Å; F345-V440 HydrophobicContact CE1-CB 4.12Å; F345-V440 HydrophobicContact CE1-CG1 3.85Å; F345-V440 HydrophobicContact CE2-CG1 3.83Å; F345-V440 HydrophobicContact CZ-CB 4.24Å; F345-V440 HydrophobicContact CZ-CG1 3.51Å; I348-V440 HydrophobicContact CB-CG2 4.22Å; A349-V440 HydrophobicContact CB-CG2 3.56Å; S434-V440 WeakPolarHBondContact CA-O 3.39Å; T435-V440 HydrophobicContact CG2-CB 3.92Å; T435-V440 HydrophobicContact CG2-CG2 4.33Å; T435-V440 PolarHBondContact N-O 2.71Å; T435-V440 PolarHBondContact OG1-N 2.77Å; T435-V440 PolarHBondContact OG1-O 2.9Å; V440-V467 HydrophobicContact CG1-CG1 4Å; V440-A468 WeakPolarHBondContact CA-O 3.41Å
441	L	95.4	Very high	91.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146	174.3	-52.7	93.7	0	0	0	110	F432 A433 R438 V467 A468 Y486 I658 L660	F432-L441 HydrophobicContact CE2-CD2 3.96Å; F432-L441 HydrophobicContact CZ-CD2 4.07Å; A433-L441 CarbonylContact O-C 3.58Å; A433-L441 WeakPolarHBondContact O-CA 3.45Å; R438-L441 WeakPolarHBondContact O-CD1 3.47Å; L441-V467 CarbonylContact O-C 3.56Å; L441-V467 WeakPolarHBondContact O-CA 3.34Å; L441-A468 HydrophobicContact CB-CB 4.44Å; L441-A468 HydrophobicContact CD1-CB 4.27Å; L441-A468 PolarHBondContact N-O 3.17Å; L441-A468 PolarHBondContact O-N 3.49Å; L441-Y486 HydrophobicContact CD1-CD1 3.99Å; L441-Y486 HydrophobicContact CD1-CE1 3.29Å; L441-I658 HydrophobicContact CD1-CD1 4.07Å; L441-I658 HydrophobicContact CD1-CG2 4.4Å; L441-I658 HydrophobicContact CD2-CD1 3.81Å; L441-L660 HydrophobicContact CB-CD1 4.45Å
442	L	95.7	Very high	90.9	Very high	10 Å²	10	28.7 Å²	28.7	5%	0.052	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.7	169.8	170.4	67	0	0	0	107.8	L339 F345 W364 I431 F432 A433 A465 K466 V467	L339-L442 HydrophobicContact CD2-CD2 4.14Å; F345-L442 HydrophobicContact CE2-CB 4.25Å; F345-L442 HydrophobicContact CZ-CB 4.04Å; W364-L442 HydrophobicContact CH2-CD1 4.45Å; W364-L442 HydrophobicContact CH2-CD2 4.19Å; I431-L442 HydrophobicContact CD1-CD2 4.37Å; F432-L442 CarbonylContact C-O 3.47Å; F432-L442 WeakPolarHBondContact CA-O 3.47Å; A433-L442 HydrophobicContact CB-CB 4.12Å; A433-L442 PolarHBondContact N-O 3.37Å; A433-L442 PolarHBondContact O-N 2.93Å; L442-A465 HydrophobicContact CD1-CB 4.46Å; L442-K466 WeakPolarHBondContact CA-O 3.41Å; L442-V467 HydrophobicContact CD1-CG2 3.82Å
443	T	94.3	Very high	89.9	Confident	9 Å²	9	31.8 Å²	31.8	6%	0.055	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	156.3	168.5	-172.3	0	0	0	0	109.7	I431 A465 K466 L660	I431-T443 WeakPolarHBondContact O-CA 3.37Å; I431-T443 PolarHBondContact O-OG1 3.47Å; T443-A465 CarbonylContact O-C 3.57Å; T443-A465 VanDerWaalsContact O-CA 3.25Å; T443-A465 WeakPolarHBondContact O-CA 3.44Å; T443-K466 HydrophobicContact CG2-CB 4.12Å; T443-K466 PolarHBondContact N-O 3.13Å; T443-K466 PolarHBondContact O-N 3.18Å; T443-L660 HydrophobicContact CG2-CB 4.13Å; T443-L660 HydrophobicContact CG2-CD1 4.06Å; T443-L660 HydrophobicContact CG2-CD2 3.69Å; T443-L660 HydrophobicContact CG2-CG 4.16Å
444	G	92.8	Very high	88.9	Confident	7 Å²	7	33.1 Å²	33.1	7%	0.072	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.7	175.3	169.6	0	0	0	0	0	113.9	A430 I431 E464	A430-G444 WeakPolarHBondContact CA-O 3.43Å; I431-G444 WeakPolarHBondContact CG1-O 3.07Å; I431-G444 PolarHBondContact N-O 3.47Å; I431-G444 PolarHBondContact O-N 3.32Å; I431-G444 VanDerWaalsContact O-N 3.07Å; G444-E464 CarbonylContact C-O 3.51Å; G444-E464 WeakPolarHBondContact CA-O 3.39Å
445	S	93	Very high	87.8	Confident	9 Å²	9	37.8 Å²	37.8	6%	0.063	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	144.1	168.2	73.9	0	0	0	0	110.7	T429 C463 E464 T647	T429-S445 CarbonylContact O-C 3.55Å; T429-S445 VanDerWaalsContact O-CA 3.28Å; T429-S445 WeakPolarHBondContact O-CA 3.27Å; S445-C463 VanDerWaalsContact O-CA 3.3Å; S445-C463 WeakPolarHBondContact O-CA 3.48Å; S445-E464 PolarHBondContact N-O 2.98Å; S445-E464 PolarHBondContact O-N 3.22Å; S445-E464 VanDerWaalsContact O-N 3.14Å; S445-T647 WeakPolarHBondContact CB-O 3.28Å; S445-T647 PolarHBondContact OG-O 3.11Å
446	I	93.1	Very high	87	Confident	20 Å²	20	38.3 Å²	38.3	10%	0.103	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.4	-179.1	-52.9	173.9	0	0	0	108.5	F331 T429 I431 V448 I461	F331-I446 HydrophobicContact CE1-CG2 4.21Å; F331-I446 HydrophobicContact CZ-CG2 3.93Å; T429-I446 PolarHBondContact N-O 3.48Å; T429-I446 PolarHBondContact O-N 3.3Å; I431-I446 HydrophobicContact CD1-CD1 3.98Å; I431-I446 HydrophobicContact CG2-CD1 4.38Å; I446-V448 HydrophobicContact CG2-CG2 4.05Å; I446-I461 HydrophobicContact CG2-CG2 4Å
447	S	90.9	Very high	86.6	Confident	14 Å²	14	37 Å²	37	10%	0.098	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	113.8	172.2	-173.3	0	0	0	0	109.3	P427 V462	P427-S447 WeakPolarHBondContact O-CA 3.46Å; P427-S447 WeakPolarHBondContact O-CB 3.5Å; P427-S447 PolarHBondContact O-OG 2.99Å; S447-V462 PolarHBondContact N-O 3.25Å; S447-V462 PolarHBondContact O-N 2.63Å
448	V	87.4	Confident	86.5	Confident	33 Å²	33	33.6 Å²	33.6	20%	0.2	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.6	178.6	-173.5	0	0	0	0	108.7	F331 I446 M459 I461	F331-V448 HydrophobicContact CE1-CG2 4.39Å; F331-V448 HydrophobicContact CE2-CG2 4.25Å; F331-V448 HydrophobicContact CZ-CG2 3.73Å; I446-V448 HydrophobicContact CG2-CG2 4.05Å; V448-M459 HydrophobicContact CG1-CB 4.27Å; V448-I461 HydrophobicContact CG1-CG1 4.15Å; V448-I461 HydrophobicContact CG2-CG1 4.11Å; V448-I461 HydrophobicContact CG2-CG2 4.37Å
449	K	83.1	Confident	86.4	Confident	106 Å²	106	31.3 Å²	31.3	46%	0.461	17%	0.171	S	C	.	.			trans	-102.2	155.7	167.7	-62.4	178.4	-177.3	176.2	0	108.6	M459 P460	K449-M459 CarbonylContact O-C 3.54Å; K449-M459 WeakPolarHBondContact O-CA 3.47Å; K449-P460 HydrophobicContact CB-CG 4.16Å; K449-P460 PolarHBondContact N-O 3.39Å; K449-P460 WeakPolarHBondContact O-CD 3.47Å
450	S	83	Confident	86.2	Confident	7 Å²	7	31.7 Å²	31.7	5%	0.049	18%	0.176	C	C	.	.			trans	-135.3	128.5	178.2	-59.3	0	0	0	0	110.3	D315 L316 N458	D315-S450 CarbonylContact C-O 3.54Å; D315-S450 WeakPolarHBondContact CA-O 3.36Å; D315-S450 VanDerWaalsContact OD1-O 3.14Å; L316-S450 PolarHBondContact N-O 3.48Å; S450-N458 CarbonylContact C-O 3.5Å; S450-N458 WeakPolarHBondContact CA-O 3.45Å
451	K	82.1	Confident	85.9	Confident	88 Å²	88	32.9 Å²	32.9	38%	0.383	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.7	-176.9	-171.1	175.1	-176.3	174.4	0	110.8	M453 I457 N458	K451-M453 HydrophobicContact CD-SD 4.26Å; K451-M453 HydrophobicContact CG-SD 4.24Å; K451-M453 PolarHBondContact O-N 3.36Å; K451-I457 WeakPolarHBondContact O-CA 3.15Å; K451-N458 PolarHBondContact N-O 3.35Å; K451-N458 PolarHBondContact O-N 3.08Å
452	F	79.6	Confident	85.4	Confident	14 Å²	14	36.7 Å²	36.7	6%	0.061	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	125.3	176.8	-177.2	-128.1	0	0	0	111.8	L307 L310 K311 G313 T314 L316 G454 I457 I501	L307-F452 HydrophobicContact CB-CZ 4.37Å; L307-F452 HydrophobicContact CD2-CD2 4.07Å; L307-F452 HydrophobicContact CD2-CE2 3.61Å; L307-F452 HydrophobicContact CD2-CZ 4.18Å; L307-F452 HydrophobicContact CG-CE2 4.44Å; L310-F452 HydrophobicContact CB-CD1 3.6Å; L310-F452 HydrophobicContact CB-CE1 3.83Å; L310-F452 HydrophobicContact CB-CG 4.21Å; L310-F452 HydrophobicContact CD1-CD1 4.4Å; L310-F452 HydrophobicContact CD1-CD2 4.45Å; L310-F452 HydrophobicContact CD1-CG 4.22Å; K311-F452 WeakPolarHBondContact O-CD1 3.14Å; G313-F452 WeakPolarHBondContact CA-O 3.43Å; G313-F452 PolarHBondContact N-O 3.28Å; T314-F452 PolarHBondContact O-N 3.29Å; L316-F452 HydrophobicContact CD1-CB 4.01Å; L316-F452 HydrophobicContact CD2-CB 4.09Å; L316-F452 HydrophobicContact CG-CB 4.12Å; F452-G454 WeakPolarHBondContact CE2-O 3.2Å; F452-G454 WeakPolarHBondContact CZ-O 2.99Å; F452-I457 HydrophobicContact CD2-CG1 4.3Å; F452-I501 HydrophobicContact CE2-CD1 3.92Å
453	M	76.7	Confident	85	Confident	71 Å²	71	37 Å²	37	35%	0.35	21%	0.208	S	C	.	.			trans	-111.4	18.2	-178.6	-59.5	-60.8	-66.4	0	0	112.5	K451 V455 S456 N458	K451-M453 HydrophobicContact CD-SD 4.26Å; K451-M453 HydrophobicContact CG-SD 4.24Å; K451-M453 PolarHBondContact O-N 3.36Å; M453-V455 PolarHBondContact O-N 3.1Å; M453-S456 WeakPolarHBondContact CA-O 3.31Å; M453-S456 WeakPolarHBondContact CB-O 3.29Å; M453-S456 PolarHBondContact N-O 2.89Å; M453-N458 HydrophobicContact CG-CB 3.88Å
454	G	74	Confident	84.7	Confident	28 Å²	28	39 Å²	39	29%	0.289	22%	0.216	S	C	.	.	S	Bend	trans	88.7	-67.1	180	0	0	0	0	0	112.6	F452	F452-G454 WeakPolarHBondContact CE2-O 3.2Å; F452-G454 WeakPolarHBondContact CZ-O 2.99Å
455	V	72.9	Confident	84.7	Confident	98 Å²	98	39 Å²	39	59%	0.594	22%	0.216	S	C	*	.	S	Bend	trans	-105.6	-3	-179.9	-62.8	0	0	0	0	113.4	M453 I501	M453-V455 PolarHBondContact O-N 3.1Å; V455-I501 WeakPolarHBondContact O-CG1 3.5Å
456	S	77.7	Confident	84.7	Confident	12 Å²	12	38.9 Å²	38.9	8%	0.084	21%	0.214	C	C	.	.	S	Bend	trans	-146.8	167.5	176.9	58.9	0	0	0	0	110	M453 A498	M453-S456 WeakPolarHBondContact CA-O 3.31Å; M453-S456 WeakPolarHBondContact CB-O 3.29Å; M453-S456 PolarHBondContact N-O 2.89Å; S456-A498 VanDerWaalsContact CA-O 3.28Å; S456-A498 WeakPolarHBondContact CA-O 3.42Å; S456-A498 WeakPolarHBondContact CB-O 3.42Å
457	I	82.6	Confident	84.9	Confident	27 Å²	27	37.9 Å²	37.9	14%	0.138	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124	169	-58.1	165.9	0	0	0	106.9	L316 K451 F452 M459 F497 A498	L316-I457 HydrophobicContact CD1-CB 4.39Å; L316-I457 HydrophobicContact CD1-CD1 3.56Å; L316-I457 HydrophobicContact CD1-CG1 3.68Å; L316-I457 HydrophobicContact CD1-CG2 3.83Å; K451-I457 WeakPolarHBondContact O-CA 3.15Å; F452-I457 HydrophobicContact CD2-CG1 4.3Å; I457-M459 HydrophobicContact CG2-CG 3.95Å; I457-F497 WeakPolarHBondContact O-CA 3.4Å; I457-A498 HydrophobicContact CB-CB 4.02Å; I457-A498 HydrophobicContact CD1-CB 4.44Å; I457-A498 PolarHBondContact N-O 3.37Å; I457-A498 PolarHBondContact O-N 2.84Å
458	N	86.5	Confident	85.1	Confident	41 Å²	41	37.2 Å²	37.2	22%	0.219	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.9	171.3	-178.2	18.2	0	0	0	108.8	S450 K451 M453 P460 F497	S450-N458 CarbonylContact C-O 3.5Å; S450-N458 WeakPolarHBondContact CA-O 3.45Å; K451-N458 PolarHBondContact N-O 3.35Å; K451-N458 PolarHBondContact O-N 3.08Å; M453-N458 HydrophobicContact CG-CB 3.88Å; N458-P460 WeakPolarHBondContact O-CD 3.41Å; N458-F497 HydrophobicContact CB-CD1 4.22Å; N458-F497 HydrophobicContact CB-CE1 4.17Å; N458-F497 WeakPolarHBondContact OD1-CE1 3.37Å
459	M	87.2	Confident	85.4	Confident	30 Å²	30	35.7 Å²	35.7	15%	0.148	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	82.4	179	-59.1	-179.6	-72.2	0	0	109.6	V448 K449 I457 I461 C496 A498	V448-M459 HydrophobicContact CG1-CB 4.27Å; K449-M459 CarbonylContact O-C 3.54Å; K449-M459 WeakPolarHBondContact O-CA 3.47Å; I457-M459 HydrophobicContact CG2-CG 3.95Å; M459-I461 PolarHBondContact O-N 3.05Å; M459-C496 CarbonylContact C-O 3.53Å; M459-C496 VanDerWaalsContact CA-O 3.29Å; M459-C496 WeakPolarHBondContact CA-O 3.46Å; M459-C496 HydrophobicContact CB-CB 4.21Å; M459-C496 VanDerWaalsContact CB-O 3.31Å; M459-C496 WeakPolarHBondContact CB-O 3.49Å; M459-C496 HydrophobicContact CE-CB 4.17Å; M459-C496 VanDerWaalsContact CE-SG 3.51Å; M459-C496 PolarHBondContact N-O 3.35Å; M459-C496 PolarHBondContact O-N 2.97Å; M459-A498 HydrophobicContact CE-CB 4.21Å
460	P	86.8	Confident	85.8	Confident	40 Å²	40	32.6 Å²	32.6	26%	0.26	18%	0.184	S	C	.	.			trans	-67.4	132.3	172.5	26.9	-30.5	0	0	0	109.6	K449 N458 N495	K449-P460 HydrophobicContact CB-CG 4.16Å; K449-P460 PolarHBondContact N-O 3.39Å; K449-P460 WeakPolarHBondContact O-CD 3.47Å; N458-P460 WeakPolarHBondContact O-CD 3.41Å; P460-N495 WeakPolarHBondContact CA-OD1 3.18Å
461	I	88.2	Confident	86.1	Confident	24 Å²	24	32.7 Å²	32.7	12%	0.123	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	112	-177.3	-60.7	174.5	0	0	0	107.2	I446 V448 M459 C463 Y493 C496	I446-I461 HydrophobicContact CG2-CG2 4Å; V448-I461 HydrophobicContact CG1-CG1 4.15Å; V448-I461 HydrophobicContact CG2-CG1 4.11Å; V448-I461 HydrophobicContact CG2-CG2 4.37Å; M459-I461 PolarHBondContact O-N 3.05Å; I461-C463 HydrophobicContact CG2-CB 4.08Å; I461-Y493 HydrophobicContact CB-CD1 3.99Å; I461-Y493 HydrophobicContact CD1-CD1 3.36Å; I461-Y493 HydrophobicContact CD1-CE1 3.34Å; I461-Y493 HydrophobicContact CG1-CD1 4.23Å; I461-Y493 HydrophobicContact CG2-CD1 3.81Å; I461-Y493 HydrophobicContact CG2-CG 4.1Å; I461-C496 HydrophobicContact CD1-CB 3.88Å
462	V	86	Confident	85.8	Confident	82 Å²	82	33.3 Å²	33.3	50%	0.497	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	111.4	168.5	-177.9	0	0	0	0	106.1	S447	S447-V462 PolarHBondContact N-O 3.25Å; S447-V462 PolarHBondContact O-N 2.63Å
463	C	87.7	Confident	85.3	Confident	17 Å²	17	39.7 Å²	39.7	12%	0.115	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127.1	-179.8	177.5	0	0	0	0	109.1	S445 I461	S445-C463 VanDerWaalsContact O-CA 3.3Å; S445-C463 WeakPolarHBondContact O-CA 3.48Å; I461-C463 HydrophobicContact CG2-CB 4.08Å
464	E	86.6	Confident	84.8	Confident	50 Å²	50	40 Å²	40	23%	0.234	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	96.9	168.8	-175.4	170.7	-167.4	0	0	107.4	G444 S445 T647	G444-E464 CarbonylContact C-O 3.51Å; G444-E464 WeakPolarHBondContact CA-O 3.39Å; S445-E464 PolarHBondContact N-O 2.98Å; S445-E464 PolarHBondContact O-N 3.22Å; S445-E464 VanDerWaalsContact O-N 3.14Å; E464-T647 VanDerWaalsContact OE2-CB 3.25Å; E464-T647 WeakPolarHBondContact OE2-CB 3.35Å; E464-T647 PolarHBondContact OE2-OG1 3.26Å
465	A	93.1	Very high	84.2	Confident	9 Å²	9	46.9 Å²	46.9	7%	0.074	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	148.6	179.9	0	0	0	0	0	111.1	L442 T443 L491	L442-A465 HydrophobicContact CD1-CB 4.46Å; T443-A465 CarbonylContact O-C 3.57Å; T443-A465 VanDerWaalsContact O-CA 3.25Å; T443-A465 WeakPolarHBondContact O-CA 3.44Å; A465-L491 HydrophobicContact CB-CB 4.33Å; A465-L491 PolarHBondContact N-O 3.32Å; A465-L491 PolarHBondContact O-N 3.42Å
466	K	94.4	Very high	83.6	Confident	5 Å²	5	45.1 Å²	45.1	2%	0.022	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	136.9	176.4	-63	178.1	-166.9	169.4	0	110	L442 T443 V488 Y489 L660 E662	L442-K466 WeakPolarHBondContact CA-O 3.41Å; T443-K466 HydrophobicContact CG2-CB 4.12Å; T443-K466 PolarHBondContact N-O 3.13Å; T443-K466 PolarHBondContact O-N 3.18Å; K466-V488 HydrophobicContact CB-CG1 3.98Å; K466-V488 HydrophobicContact CD-CG1 4.12Å; K466-V488 HydrophobicContact CG-CG1 4.28Å; K466-Y489 CarbonylContact C-O 3.57Å; K466-Y489 VanDerWaalsContact CA-O 3.23Å; K466-Y489 WeakPolarHBondContact CA-O 3.45Å; K466-L660 HydrophobicContact CB-CD2 3.98Å; K466-L660 WeakPolarHBondContact CD-O 3.47Å; K466-L660 PolarHBondContact NZ-O 3.11Å; K466-E662 WeakPolarHBondContact CE-O 3.39Å; K466-E662 PolarHBondContact NZ-O 3.08Å
467	V	95.9	Very high	82.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.3	166.1	169.5	0	0	0	0	107.9	I361 W364 V440 L441 L442 V469 V488 Y489 L491	I361-V467 HydrophobicContact CD1-CG1 4.26Å; W364-V467 HydrophobicContact CH2-CG2 4.37Å; W364-V467 HydrophobicContact CZ3-CG2 3.99Å; V440-V467 HydrophobicContact CG1-CG1 4Å; L441-V467 CarbonylContact O-C 3.56Å; L441-V467 WeakPolarHBondContact O-CA 3.34Å; L442-V467 HydrophobicContact CD1-CG2 3.82Å; V467-V469 HydrophobicContact CG1-CG2 3.9Å; V467-V488 CarbonylContact O-C 3.53Å; V467-V488 WeakPolarHBondContact O-CA 3.03Å; V467-Y489 PolarHBondContact N-O 2.82Å; V467-Y489 PolarHBondContact O-N 2.97Å; V467-L491 HydrophobicContact CB-CD1 3.96Å; V467-L491 HydrophobicContact CG2-CD1 3.64Å; V467-L491 HydrophobicContact CG2-CD2 4.34Å
468	A	94.6	Very high	81.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.2	173.1	0	0	0	0	0	109.3	V440 L441 Y486 E487 V488 I658 L660	V440-A468 WeakPolarHBondContact CA-O 3.41Å; L441-A468 HydrophobicContact CB-CB 4.44Å; L441-A468 HydrophobicContact CD1-CB 4.27Å; L441-A468 PolarHBondContact N-O 3.17Å; L441-A468 PolarHBondContact O-N 3.49Å; A468-Y486 HydrophobicContact CB-CD1 3.87Å; A468-Y486 HydrophobicContact CB-CG 4.47Å; A468-E487 CarbonylContact C-O 3.52Å; A468-E487 WeakPolarHBondContact CA-O 3.43Å; A468-V488 HydrophobicContact CB-CG2 4.02Å; A468-I658 HydrophobicContact CB-CG2 4.13Å; A468-L660 HydrophobicContact CB-CD2 3.76Å; A468-L660 HydrophobicContact CB-CG 4.35Å
469	V	95.2	Very high	79.5	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.9	-178.5	-171.3	0	0	0	0	109.2	I348 I361 D439 V467 C471 Y486 E487 Y489	I348-V469 HydrophobicContact CG2-CB 4.42Å; I348-V469 HydrophobicContact CG2-CG1 4Å; I348-V469 HydrophobicContact CG2-CG2 3.5Å; I361-V469 HydrophobicContact CD1-CG2 4.19Å; D439-V469 CarbonylContact O-C 3.58Å; D439-V469 WeakPolarHBondContact O-CA 3.4Å; V467-V469 HydrophobicContact CG1-CG2 3.9Å; V469-C471 PolarHBondContact O-N 3.01Å; V469-C471 PolarHBondContact O-SG 3.07Å; V469-Y486 VanDerWaalsContact C-CD1 3.49Å; V469-Y486 CarbonylContact O-C 3.51Å; V469-Y486 VanDerWaalsContact O-CA 3.3Å; V469-Y486 WeakPolarHBondContact O-CA 3.43Å; V469-E487 PolarHBondContact N-O 2.76Å; V469-E487 PolarHBondContact O-N 3.26Å; V469-Y489 HydrophobicContact CB-CE2 4.45Å; V469-Y489 HydrophobicContact CG2-CD2 4.16Å; V469-Y489 HydrophobicContact CG2-CE2 3.89Å
470	L	91.8	Very high	77.8	Confident	41 Å²	41	57.3 Å²	57.3	22%	0.215	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	125.1	175.8	-179.3	63	0	0	0	109.7	D439 P472 N485 Y486	D439-L470 HydrophobicContact CB-CB 4.09Å; D439-L470 HydrophobicContact CB-CD2 4.27Å; D439-L470 PolarHBondContact O-N 3.03Å; L470-P472 HydrophobicContact CD2-CG 4.45Å; L470-P472 HydrophobicContact CG-CG 4.11Å; L470-N485 HydrophobicContact CD1-CB 4.32Å; L470-N485 VanDerWaalsContact CD1-ND2 3.29Å; L470-N485 WeakPolarHBondContact CD1-ND2 3.24Å; L470-N485 WeakPolarHBondContact CD1-OD1 3.19Å; L470-Y486 HydrophobicContact CB-CD1 4.13Å; L470-Y486 HydrophobicContact CB-CE1 3.65Å; L470-Y486 HydrophobicContact CD1-CD2 4.11Å; L470-Y486 HydrophobicContact CD1-CE1 4.33Å; L470-Y486 HydrophobicContact CD1-CE2 3.71Å
471	C	88.6	Confident	76.1	Confident	8 Å²	8	62.3 Å²	62.3	5%	0.054	36%	0.356	C	S	.	.			trans	-125.3	78.4	-178.5	-61	0	0	0	0	109.3	R357 V469 E473 V474 N485	R357-C471 PolarHBondContact NE-SG 3.31Å; R357-C471 VanDerWaalsContact NE-SG 3.44Å; V469-C471 PolarHBondContact O-N 3.01Å; V469-C471 PolarHBondContact O-SG 3.07Å; C471-E473 PolarHBondContact O-N 2.99Å; C471-E473 VanDerWaalsContact O-N 3.14Å; C471-V474 HydrophobicContact CB-CB 4.26Å; C471-V474 HydrophobicContact CB-CG2 3.91Å; C471-V474 PolarHBondContact O-N 3.48Å; C471-V474 VanDerWaalsContact O-N 3.07Å; C471-N485 CarbonylContact C-O 3.58Å; C471-N485 WeakPolarHBondContact CA-O 3.13Å; C471-N485 WeakPolarHBondContact CB-O 3.36Å; C471-N485 PolarHBondContact N-O 2.65Å
472	P	75.4	Confident	74.5	Confident	101 Å²	101	62.9 Å²	62.9	66%	0.656	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.7	-174.1	-20.4	31.9	0	0	0	114	L470 V474	L470-P472 HydrophobicContact CD2-CG 4.45Å; L470-P472 HydrophobicContact CG-CG 4.11Å; P472-V474 VanDerWaalsContact C-N 3.26Å; P472-V474 PolarHBondContact O-N 3.05Å
473	E	70.5	Confident	73.2	Confident	148 Å²	148	67 Å²	67	69%	0.692	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-17.6	180	-60.3	178.1	179.1	0	0	113.2	C471	C471-E473 PolarHBondContact O-N 2.99Å; C471-E473 VanDerWaalsContact O-N 3.14Å
474	V	65.9	Low	72.5	Confident	79 Å²	79	66.7 Å²	66.7	48%	0.479	37%	0.368	S	S	.	.	S	Bend	trans	-94.9	114.2	-178.4	-176.4	0	0	0	0	107.7	C471 P472	C471-V474 HydrophobicContact CB-CB 4.26Å; C471-V474 HydrophobicContact CB-CG2 3.91Å; C471-V474 PolarHBondContact O-N 3.48Å; C471-V474 VanDerWaalsContact O-N 3.07Å; P472-V474 VanDerWaalsContact C-N 3.26Å; P472-V474 PolarHBondContact O-N 3.05Å
475	E	61.6	Low	72.4	Confident	171 Å²	171	66.9 Å²	66.9	80%	0.799	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-56	131.5	170.9	-71.8	-164.7	167.2	0	0	109	A477	E475-A477 PolarHBondContact O-N 2.89Å
476	P	59	Low	72.3	Confident	62 Å²	62	67.4 Å²	67.4	40%	0.403	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-56	130.6	177.8	21.9	-30.5	0	0	0	108.5	V478 K483	P476-V478 PolarHBondContact O-N 3.45Å; P476-K483 WeakPolarHBondContact CB-O 3.25Å
477	A	56.5	Low	72.2	Confident	54 Å²	54	67.5 Å²	67.5	45%	0.446	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-57.5	129.9	179.3	0	0	0	0	0	108.6	E475 S479 N482	E475-A477 PolarHBondContact O-N 2.89Å; A477-S479 PolarHBondContact O-N 3.49Å; A477-N482 HydrophobicContact CB-CB 4.25Å; A477-N482 PolarHBondContact N-O 3.06Å; A477-N482 CarbonylContact O-C 3.39Å
478	V	51.2	Low	72.2	Confident	145 Å²	145	67.6 Å²	67.6	88%	0.879	37%	0.372	S	S	*	.	S	Bend	trans	-68.4	2.6	-176	-171.9	0	0	0	0	112.1	P476	P476-V478 PolarHBondContact O-N 3.45Å
479	S	52.9	Low	72.2	Confident	50 Å²	50	67.6 Å²	67.6	35%	0.35	37%	0.372	S	S	.	.	S	Bend	trans	-62	141.2	172.4	65.3	0	0	0	0	109.7	A477 E481 N482	A477-S479 PolarHBondContact O-N 3.49Å; S479-E481 PolarHBondContact O-N 3.19Å; S479-N482 PolarHBondContact O-N 2.66Å; S479-N482 VanDerWaalsContact O-N 3.08Å; S479-N482 VanDerWaalsContact OG-CB 3.24Å; S479-N482 WeakPolarHBondContact OG-CB 3.23Å; S479-N482 PolarHBondContact OG-N 2.83Å
480	P	51.4	Low	72.2	Confident	116 Å²	116	71.3 Å²	71.3	75%	0.753	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.4	-179.7	19.5	-29.7	0	0	0	113
481	E	52.6	Low	72.4	Confident	146 Å²	146	69.7 Å²	69.7	68%	0.682	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-25.5	-176.9	-54.2	-178.4	-162	0	0	112.4	S479	S479-E481 PolarHBondContact O-N 3.19Å
482	N	53.6	Low	72.5	Confident	35 Å²	35	72.4 Å²	72.4	19%	0.187	39%	0.39	C	S	.	.			trans	-127.8	48.3	-163.7	-138.3	-4.8	0	0	0	114.1	A477 S479 S484	A477-N482 HydrophobicContact CB-CB 4.25Å; A477-N482 PolarHBondContact N-O 3.06Å; A477-N482 CarbonylContact O-C 3.39Å; S479-N482 PolarHBondContact O-N 2.66Å; S479-N482 VanDerWaalsContact O-N 3.08Å; S479-N482 VanDerWaalsContact OG-CB 3.24Å; S479-N482 WeakPolarHBondContact OG-CB 3.23Å; S479-N482 PolarHBondContact OG-N 2.83Å; N482-S484 PolarHBondContact O-N 2.75Å
483	K	59.2	Low	73.3	Confident	168 Å²	168	70.6 Å²	70.6	73%	0.73	37%	0.37	S	S	*	.			trans	-68.6	9.7	175.7	-69	-176	-179.1	175.6	0	114.7	P476	P476-K483 WeakPolarHBondContact CB-O 3.25Å
484	S	73.4	Confident	74.4	Confident	11 Å²	11	63.6 Å²	63.6	8%	0.077	34%	0.338	C	S	.	.			trans	-97.1	142.5	-174.1	-161.8	0	0	0	0	111.4	N482 Y486 N657 P659	N482-S484 PolarHBondContact O-N 2.75Å; S484-Y486 PolarHBondContact O-N 2.7Å; S484-Y486 WeakPolarHBondContact OG-CD2 3.49Å; S484-Y486 PolarHBondContact OG-N 3.32Å; S484-N657 WeakPolarHBondContact CB-O 3.35Å; S484-N657 PolarHBondContact OG-O 3.11Å; S484-P659 VanDerWaalsContact CB-CD 3.46Å; S484-P659 VanDerWaalsContact OG-CD 3.23Å; S484-P659 WeakPolarHBondContact OG-CD 3.24Å
485	N	84.7	Confident	75.5	Confident	54 Å²	54	62.9 Å²	62.9	29%	0.289	33%	0.331	S	S	.	.	S	Bend	trans	-87.1	17.3	168.5	57.5	-5.5	0	0	0	112	L470 C471	L470-N485 HydrophobicContact CD1-CB 4.32Å; L470-N485 VanDerWaalsContact CD1-ND2 3.29Å; L470-N485 WeakPolarHBondContact CD1-ND2 3.24Å; L470-N485 WeakPolarHBondContact CD1-OD1 3.19Å; C471-N485 CarbonylContact C-O 3.58Å; C471-N485 WeakPolarHBondContact CA-O 3.13Å; C471-N485 WeakPolarHBondContact CB-O 3.36Å; C471-N485 PolarHBondContact N-O 2.65Å
486	Y	90.9	Very high	76.9	Confident	20 Å²	20	55 Å²	55	8%	0.078	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	134.8	175	-74.7	-98.3	0	0	0	111.7	R438 L441 A468 V469 L470 S484 Q519 I658	R438-Y486 WeakPolarHBondContact O-CE1 3.33Å; R438-Y486 PolarHBondContact O-OH 2.66Å; L441-Y486 HydrophobicContact CD1-CD1 3.99Å; L441-Y486 HydrophobicContact CD1-CE1 3.29Å; A468-Y486 HydrophobicContact CB-CD1 3.87Å; A468-Y486 HydrophobicContact CB-CG 4.47Å; V469-Y486 VanDerWaalsContact C-CD1 3.49Å; V469-Y486 CarbonylContact O-C 3.51Å; V469-Y486 VanDerWaalsContact O-CA 3.3Å; V469-Y486 WeakPolarHBondContact O-CA 3.43Å; L470-Y486 HydrophobicContact CB-CD1 4.13Å; L470-Y486 HydrophobicContact CB-CE1 3.65Å; L470-Y486 HydrophobicContact CD1-CD2 4.11Å; L470-Y486 HydrophobicContact CD1-CE1 4.33Å; L470-Y486 HydrophobicContact CD1-CE2 3.71Å; S484-Y486 PolarHBondContact O-N 2.7Å; S484-Y486 WeakPolarHBondContact OG-CD2 3.49Å; S484-Y486 PolarHBondContact OG-N 3.32Å; Y486-Q519 PolarHBondContact O-NE2 3.35Å; Y486-I658 HydrophobicContact CD1-CG2 4.31Å; Y486-I658 HydrophobicContact CD2-CG1 4.31Å; Y486-I658 HydrophobicContact CD2-CG2 4.31Å; Y486-I658 HydrophobicContact CE2-CD1 4.1Å; Y486-I658 HydrophobicContact CE2-CG1 3.9Å; Y486-I658 HydrophobicContact CG-CG2 4.18Å
487	E	92.5	Very high	78.3	Confident	8 Å²	8	53.6 Å²	53.6	4%	0.037	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.4	162.9	-170	175.6	172.6	0	0	109.1	R357 A468 V469 Y489 S517 Q519 T520	R357-E487 IonicContact CZ-OE2 2.76Å; R357-E487 IonicContact NE-OE2 3.35Å; R357-E487 PolarHBondContact NE-OE2 3.02Å; R357-E487 IonicContact NH2-OE2 2.7Å; R357-E487 PolarHBondContact NH2-OE2 3.03Å; A468-E487 CarbonylContact C-O 3.52Å; A468-E487 WeakPolarHBondContact CA-O 3.43Å; V469-E487 PolarHBondContact N-O 2.76Å; V469-E487 PolarHBondContact O-N 3.26Å; E487-Y489 HydrophobicContact CB-CE2 4.1Å; E487-Y489 VanDerWaalsContact CD-CZ 3.44Å; E487-Y489 HydrophobicContact CG-CD2 4.5Å; E487-Y489 HydrophobicContact CG-CE2 3.75Å; E487-Y489 PolarHBondContact OE1-OH 3.18Å; E487-Y489 PolarHBondContact OE2-OH 2.9Å; E487-S517 WeakPolarHBondContact OE1-CB 3.19Å; E487-S517 PolarHBondContact OE1-OG 3.19Å; E487-Q519 HydrophobicContact CG-CB 4.34Å; E487-T520 PolarHBondContact OE1-OG1 2.96Å
488	V	93.9	Very high	79.7	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.9	-174.5	-174.3	0	0	0	0	110	K466 V467 A468 Q518 Q519 P659 L660	K466-V488 HydrophobicContact CB-CG1 3.98Å; K466-V488 HydrophobicContact CD-CG1 4.12Å; K466-V488 HydrophobicContact CG-CG1 4.28Å; V467-V488 CarbonylContact O-C 3.53Å; V467-V488 WeakPolarHBondContact O-CA 3.03Å; A468-V488 HydrophobicContact CB-CG2 4.02Å; V488-Q518 PolarHBondContact O-N 3.47Å; V488-Q519 VanDerWaalsContact N-CD 3.31Å; V488-Q519 VanDerWaalsContact N-NE2 3.17Å; V488-Q519 PolarHBondContact O-OE1 3.39Å; V488-P659 HydrophobicContact CG2-CG 3.85Å; V488-L660 HydrophobicContact CG1-CD2 4.43Å
489	Y	96.3	Very high	81.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.8	179.5	-60.6	-95.6	0	0	0	109	R357 L358 I361 K466 V467 V469 E487 L491 I515 V516	R357-Y489 WeakPolarHBondContact CB-OH 3.31Å; R357-Y489 PolarHBondContact NE-OH 3.25Å; L358-Y489 HydrophobicContact CB-CE1 4.06Å; L358-Y489 HydrophobicContact CD1-CD1 3.96Å; L358-Y489 HydrophobicContact CD1-CE1 4.09Å; I361-Y489 HydrophobicContact CD1-CD1 3.78Å; I361-Y489 HydrophobicContact CD1-CD2 3.18Å; I361-Y489 HydrophobicContact CD1-CE1 3.93Å; I361-Y489 HydrophobicContact CD1-CE2 3.35Å; I361-Y489 HydrophobicContact CD1-CG 3.39Å; K466-Y489 CarbonylContact C-O 3.57Å; K466-Y489 VanDerWaalsContact CA-O 3.23Å; K466-Y489 WeakPolarHBondContact CA-O 3.45Å; V467-Y489 PolarHBondContact N-O 2.82Å; V467-Y489 PolarHBondContact O-N 2.97Å; V469-Y489 HydrophobicContact CB-CE2 4.45Å; V469-Y489 HydrophobicContact CG2-CD2 4.16Å; V469-Y489 HydrophobicContact CG2-CE2 3.89Å; E487-Y489 HydrophobicContact CB-CE2 4.1Å; E487-Y489 VanDerWaalsContact CD-CZ 3.44Å; E487-Y489 HydrophobicContact CG-CD2 4.5Å; E487-Y489 HydrophobicContact CG-CE2 3.75Å; E487-Y489 PolarHBondContact OE1-OH 3.18Å; E487-Y489 PolarHBondContact OE2-OH 2.9Å; Y489-L491 WeakPolarHBondContact O-CD1 3.24Å; Y489-I515 HydrophobicContact CD1-CG2 4.45Å; Y489-V516 CarbonylContact C-O 3.57Å; Y489-V516 VanDerWaalsContact CA-O 3.27Å; Y489-V516 WeakPolarHBondContact CA-O 3.48Å
490	R	95.1	Very high	82.3	Confident	80 Å²	80	47.3 Å²	47.3	30%	0.302	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.8	172.9	-172.8	-179.7	-76.6	145.9	-2.5	109.6	I515 V516	R490-I515 VanDerWaalsContact O-CA 3.28Å; R490-I515 WeakPolarHBondContact O-CA 3.26Å; R490-V516 PolarHBondContact N-O 3.13Å; R490-V516 PolarHBondContact O-N 3.44Å
491	L	94.9	Very high	83.4	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.3	-178.9	-52.4	90.8	0	0	0	110.1	I361 W364 Y365 A465 V467 Y489 I515	I361-L491 HydrophobicContact CG2-CD2 4.12Å; W364-L491 HydrophobicContact CZ3-CD2 4.14Å; Y365-L491 HydrophobicContact CD2-CD2 3.79Å; Y365-L491 HydrophobicContact CE2-CD2 4.33Å; A465-L491 HydrophobicContact CB-CB 4.33Å; A465-L491 PolarHBondContact N-O 3.32Å; A465-L491 PolarHBondContact O-N 3.42Å; V467-L491 HydrophobicContact CB-CD1 3.96Å; V467-L491 HydrophobicContact CG2-CD1 3.64Å; V467-L491 HydrophobicContact CG2-CD2 4.34Å; Y489-L491 WeakPolarHBondContact O-CD1 3.24Å; L491-I515 HydrophobicContact CB-CG1 4.47Å; L491-I515 HydrophobicContact CD2-CD1 4.25Å; L491-I515 HydrophobicContact CD2-CG1 4.21Å; L491-I515 HydrophobicContact CG-CG1 4.18Å; L491-I515 HydrophobicContact CG-CG2 4.23Å
492	H	91.1	Very high	84.3	Confident	66 Å²	66	38.7 Å²	38.7	31%	0.306	19%	0.187	S	C	.	.			trans	-113.3	159.6	170.5	-59.7	82	0	0	0	109.7	Y365 V513 Q514	Y365-H492 PolarHBondContact OH-O 2.62Å; H492-V513 HydrophobicContact CB-CB 4.05Å; H492-V513 HydrophobicContact CB-CG1 4.14Å; H492-Q514 PolarHBondContact N-O 2.63Å; H492-Q514 PolarHBondContact ND1-O 3.15Å; H492-Q514 VanDerWaalsContact ND1-O 3.08Å
493	Y	92.1	Very high	85.2	Confident	63 Å²	63	41.2 Å²	41.2	25%	0.247	21%	0.205	C	C	.	.			trans	-108	138.1	177.1	-157.8	-86.3	0	0	0	110.1	F338 F369 I461 F509	F338-Y493 HydrophobicContact CE2-CE2 4.47Å; F369-Y493 HydrophobicContact CD1-CE2 4.32Å; F369-Y493 HydrophobicContact CE1-CD2 4.19Å; F369-Y493 HydrophobicContact CE1-CE1 4.1Å; F369-Y493 AromaticContact CE1-CE2 3.53Å; F369-Y493 HydrophobicContact CE1-CE2 3.53Å; F369-Y493 AromaticContact CE1-CZ 3.49Å; F369-Y493 VanDerWaalsContact CE1-CZ 3.49Å; F369-Y493 HydrophobicContact CZ-CE2 4.24Å; I461-Y493 HydrophobicContact CB-CD1 3.99Å; I461-Y493 HydrophobicContact CD1-CD1 3.36Å; I461-Y493 HydrophobicContact CD1-CE1 3.34Å; I461-Y493 HydrophobicContact CG1-CD1 4.23Å; I461-Y493 HydrophobicContact CG2-CD1 3.81Å; I461-Y493 HydrophobicContact CG2-CG 4.1Å; Y493-F509 AromaticContact CE1-CE1 3.92Å; Y493-F509 HydrophobicContact CE1-CE1 3.92Å; Y493-F509 HydrophobicContact CE1-CZ 4.5Å
494	P	93	Very high	85.9	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.006	19%	0.192	C	C	.	.			trans	-68.3	160.7	-180	29.4	-36.8	0	0	0	112	Y365 F369 F509 V513 F528	Y365-P494 WeakPolarHBondContact OH-CD 3.5Å; F369-P494 HydrophobicContact CE1-CG 3.88Å; F369-P494 HydrophobicContact CZ-CG 4.01Å; P494-F509 HydrophobicContact CB-CB 4.27Å; P494-F509 HydrophobicContact CG-CB 4.09Å; P494-F509 HydrophobicContact CG-CD1 3.94Å; P494-F509 HydrophobicContact CG-CG 4.04Å; P494-V513 HydrophobicContact CB-CG1 4.33Å; P494-F528 HydrophobicContact CB-CB 4.41Å; P494-F528 HydrophobicContact CB-CD2 3.56Å; P494-F528 HydrophobicContact CB-CE2 3.94Å; P494-F528 HydrophobicContact CB-CG 3.99Å; P494-F528 HydrophobicContact CG-CD2 3.91Å; P494-F528 HydrophobicContact CG-CE1 4.47Å; P494-F528 HydrophobicContact CG-CE2 3.82Å; P494-F528 HydrophobicContact CG-CG 4.27Å; P494-F528 HydrophobicContact CG-CZ 4.12Å
495	N	90.1	Very high	86	Confident	63 Å²	63	37.1 Å²	37.1	34%	0.337	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	147.8	169.7	-67.1	-41.4	0	0	0	109.6	P460 F497 F509 G510	P460-N495 WeakPolarHBondContact CA-OD1 3.18Å; N495-F497 HydrophobicContact CB-CE2 4.06Å; N495-F497 HydrophobicContact CB-CZ 4.2Å; N495-F509 CarbonylContact O-C 3.6Å; N495-F509 WeakPolarHBondContact O-CA 3.36Å; N495-G510 WeakPolarHBondContact CB-O 3.36Å; N495-G510 PolarHBondContact N-O 3.05Å; N495-G510 VanDerWaalsContact N-O 3.08Å; N495-G510 PolarHBondContact O-N 3.17Å
496	C	90.4	Very high	85.8	Confident	6 Å²	6	36.5 Å²	36.5	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.5	179.8	-174.3	0	0	0	0	110.4	M459 I461 M507 E508 F509	M459-C496 CarbonylContact C-O 3.53Å; M459-C496 VanDerWaalsContact CA-O 3.29Å; M459-C496 WeakPolarHBondContact CA-O 3.46Å; M459-C496 HydrophobicContact CB-CB 4.21Å; M459-C496 VanDerWaalsContact CB-O 3.31Å; M459-C496 WeakPolarHBondContact CB-O 3.49Å; M459-C496 HydrophobicContact CE-CB 4.17Å; M459-C496 VanDerWaalsContact CE-SG 3.51Å; M459-C496 PolarHBondContact N-O 3.35Å; M459-C496 PolarHBondContact O-N 2.97Å; I461-C496 HydrophobicContact CD1-CB 3.88Å; C496-M507 WeakPolarHBondContact SG-CG 3.36Å; C496-M507 PolarHBondContact SG-SD 3.4Å; C496-E508 CarbonylContact C-O 3.47Å; C496-F509 HydrophobicContact CB-CD1 3.98Å; C496-F509 HydrophobicContact CB-CE1 3.93Å
497	F	87.9	Confident	85.6	Confident	33 Å²	33	37.5 Å²	37.5	15%	0.145	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.4	179.6	-57.8	-89.2	0	0	0	109.5	I457 N458 N495 R499 M507 E508 T530	I457-F497 WeakPolarHBondContact O-CA 3.4Å; N458-F497 HydrophobicContact CB-CD1 4.22Å; N458-F497 HydrophobicContact CB-CE1 4.17Å; N458-F497 WeakPolarHBondContact OD1-CE1 3.37Å; N495-F497 HydrophobicContact CB-CE2 4.06Å; N495-F497 HydrophobicContact CB-CZ 4.2Å; F497-R499 HydrophobicContact CB-CG 4.15Å; F497-R499 PolarHBondContact O-N 3.03Å; F497-M507 WeakPolarHBondContact O-CA 3.47Å; F497-E508 HydrophobicContact CB-CB 4.43Å; F497-E508 PolarHBondContact N-O 3.1Å; F497-E508 PolarHBondContact O-N 2.76Å; F497-T530 HydrophobicContact CD2-CG2 4.12Å; F497-T530 HydrophobicContact CE2-CG2 3.98Å
498	A	85.8	Confident	85.4	Confident	18 Å²	18	37.7 Å²	37.7	15%	0.149	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	108	162.5	0	0	0	0	0	107.8	S456 I457 M459 I501	S456-A498 VanDerWaalsContact CA-O 3.28Å; S456-A498 WeakPolarHBondContact CA-O 3.42Å; S456-A498 WeakPolarHBondContact CB-O 3.42Å; I457-A498 HydrophobicContact CB-CB 4.02Å; I457-A498 HydrophobicContact CD1-CB 4.44Å; I457-A498 PolarHBondContact N-O 3.37Å; I457-A498 PolarHBondContact O-N 2.84Å; M459-A498 HydrophobicContact CE-CB 4.21Å; A498-I501 HydrophobicContact CB-CG2 4.18Å
499	R	83.5	Confident	85.4	Confident	44 Å²	44	37.7 Å²	37.7	17%	0.166	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	166.2	179	-60.7	-65.9	-165	168.2	0.7	109.9	D88 F497 I501 P505 C506 E508	D88-R499 IonicContact OD1-CZ 3.06Å; D88-R499 IonicContact OD1-NH1 3.62Å; D88-R499 IonicContact OD1-NH2 2.68Å; D88-R499 PolarHBondContact OD1-NH2 3.18Å; F497-R499 HydrophobicContact CB-CG 4.15Å; F497-R499 PolarHBondContact O-N 3.03Å; R499-I501 PolarHBondContact O-N 3.46Å; R499-I501 VanDerWaalsContact O-N 3.1Å; R499-P505 WeakPolarHBondContact O-CA 3.41Å; R499-C506 PolarHBondContact N-O 3.25Å; R499-C506 PolarHBondContact O-N 2.79Å; R499-E508 HydrophobicContact CG-CB 4.02Å; R499-E508 WeakPolarHBondContact CG-OE2 3.42Å; R499-E508 IonicContact CZ-OE2 2.79Å; R499-E508 IonicContact NE-OE2 2.73Å; R499-E508 PolarHBondContact NE-OE2 3.02Å; R499-E508 IonicContact NH2-OE2 2.84Å; R499-E508 PolarHBondContact NH2-OE2 3.25Å
500	S	76.7	Confident	85.1	Confident	55 Å²	55	37.8 Å²	37.8	39%	0.385	20%	0.2	S	C	.	.			trans	55.9	31.4	174.1	-60.4	0	0	0	0	114.2	L502 T503 T504	S500-L502 PolarHBondContact O-N 2.75Å; S500-T503 WeakPolarHBondContact CB-OG1 3.4Å; S500-T503 CarbonylContact O-C 3.51Å; S500-T503 PolarHBondContact O-N 2.81Å; S500-T503 PolarHBondContact O-OG1 2.83Å; S500-T504 WeakPolarHBondContact CB-O 3.41Å; S500-T504 CarbonylContact O-C 3.55Å; S500-T504 PolarHBondContact O-N 2.83Å
501	I	73.7	Confident	84.8	Confident	9 Å²	9	35.2 Å²	35.2	5%	0.046	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.7	-174.3	67.7	-175.3	0	0	0	114	I303 L307 F452 V455 A498 R499	I303-I501 WeakPolarHBondContact CG2-O 3.24Å; L307-I501 HydrophobicContact CD1-CB 4.27Å; L307-I501 HydrophobicContact CD1-CD1 3.47Å; L307-I501 VanDerWaalsContact CD1-CD1 3.47Å; L307-I501 HydrophobicContact CD1-CG1 3.69Å; L307-I501 HydrophobicContact CD2-CD1 4.19Å; L307-I501 HydrophobicContact CG-CD1 4.48Å; F452-I501 HydrophobicContact CE2-CD1 3.92Å; V455-I501 WeakPolarHBondContact O-CG1 3.5Å; A498-I501 HydrophobicContact CB-CG2 4.18Å; R499-I501 PolarHBondContact O-N 3.46Å; R499-I501 VanDerWaalsContact O-N 3.1Å
502	L	71.4	Confident	84.7	Confident	71 Å²	71	42.2 Å²	42.2	37%	0.372	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-8.8	177.4	-51.3	179.1	0	0	0	112.8	K300 L304 L307 S500	K300-L502 WeakPolarHBondContact CE-O 3.44Å; L304-L502 HydrophobicContact CD2-CD2 3.44Å; L304-L502 VanDerWaalsContact CD2-CD2 3.44Å; L307-L502 HydrophobicContact CD1-CD2 3.76Å; S500-L502 PolarHBondContact O-N 2.75Å
503	T	71.9	Confident	84.8	Confident	89 Å²	89	39.8 Å²	39.8	55%	0.546	22%	0.219	S	C	.	.	S	Bend	trans	-124	-108.6	-179.3	55.9	0	0	0	0	109.5	S500 P505	S500-T503 WeakPolarHBondContact CB-OG1 3.4Å; S500-T503 CarbonylContact O-C 3.51Å; S500-T503 PolarHBondContact O-N 2.81Å; S500-T503 PolarHBondContact O-OG1 2.83Å; T503-P505 WeakPolarHBondContact O-CD 3.33Å
504	T	74	Confident	85	Confident	76 Å²	76	41 Å²	41	47%	0.466	23%	0.227	S	C	.	.	S	Bend	trans	-105	102.1	174.9	-54.9	0	0	0	0	107.7	V377 S500 C506	V377-T504 HydrophobicContact CG2-CG2 4.05Å; S500-T504 WeakPolarHBondContact CB-O 3.41Å; S500-T504 CarbonylContact O-C 3.55Å; S500-T504 PolarHBondContact O-N 2.83Å; T504-C506 PolarHBondContact O-N 3.05Å
505	P	76.5	Confident	85.2	Confident	17 Å²	17	41 Å²	41	11%	0.11	23%	0.227	C	C	.	.			trans	-56.3	126.3	-179	-24.8	32.8	0	0	0	111.1	I303 V377 A378 R499 T503	I303-P505 HydrophobicContact CD1-CG 4.07Å; V377-P505 HydrophobicContact CG1-CB 4.23Å; V377-P505 HydrophobicContact CG1-CG 4.27Å; A378-P505 PolarHBondContact N-O 3.21Å; R499-P505 WeakPolarHBondContact O-CA 3.41Å; T503-P505 WeakPolarHBondContact O-CD 3.33Å
506	C	79.7	Confident	85.6	Confident	41 Å²	41	39.8 Å²	39.8	28%	0.277	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	152.6	176.1	66.4	0	0	0	0	110.8	R499 T504	R499-C506 PolarHBondContact N-O 3.25Å; R499-C506 PolarHBondContact O-N 2.79Å; T504-C506 PolarHBondContact O-N 3.05Å
507	M	87.7	Confident	85.8	Confident	41 Å²	41	39.6 Å²	39.6	20%	0.202	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134	178.1	-166.4	167.3	72.4	0	0	109.9	C373 A378 C496 F497 F509 H539 R561	C373-M507 HydrophobicContact CB-CE 4Å; C373-M507 WeakPolarHBondContact SG-CE 3.5Å; A378-M507 HydrophobicContact CB-CB 3.72Å; C496-M507 WeakPolarHBondContact SG-CG 3.36Å; C496-M507 PolarHBondContact SG-SD 3.4Å; F497-M507 WeakPolarHBondContact O-CA 3.47Å; M507-F509 HydrophobicContact CE-CE1 4.2Å; M507-F509 HydrophobicContact CE-CE2 4.14Å; M507-F509 HydrophobicContact CE-CZ 3.57Å; M507-F509 HydrophobicContact SD-CZ 4.46Å; M507-H539 PolarHBondContact O-CE1 2.85Å; M507-R561 PolarHBondContact O-NH2 3.1Å
508	E	88.7	Confident	85.9	Confident	11 Å²	11	41.6 Å²	41.6	5%	0.051	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.1	179.8	177.6	175.2	-115.4	0	0	109.7	C496 F497 R499 T530 K531	C496-E508 CarbonylContact C-O 3.47Å; F497-E508 HydrophobicContact CB-CB 4.43Å; F497-E508 PolarHBondContact N-O 3.1Å; F497-E508 PolarHBondContact O-N 2.76Å; R499-E508 HydrophobicContact CG-CB 4.02Å; R499-E508 WeakPolarHBondContact CG-OE2 3.42Å; R499-E508 IonicContact CZ-OE2 2.79Å; R499-E508 IonicContact NE-OE2 2.73Å; R499-E508 PolarHBondContact NE-OE2 3.02Å; R499-E508 IonicContact NH2-OE2 2.84Å; R499-E508 PolarHBondContact NH2-OE2 3.25Å; E508-T530 HydrophobicContact CG-CG2 4.24Å; E508-K531 VanDerWaalsContact OE1-CB 3.25Å; E508-K531 WeakPolarHBondContact OE1-CB 3.2Å; E508-K531 PolarHBondContact OE1-N 3.36Å
509	F	92.1	Very high	86.1	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	145.1	171.3	-64.8	-56.7	0	0	0	110.4	F369 Y493 P494 N495 C496 M507 F528 W560	F369-F509 HydrophobicContact CB-CE2 4Å; F369-F509 HydrophobicContact CD1-CD2 4.03Å; F369-F509 HydrophobicContact CD1-CE1 4.49Å; F369-F509 AromaticContact CD1-CE2 3.47Å; F369-F509 HydrophobicContact CD1-CE2 3.47Å; F369-F509 VanDerWaalsContact CD1-CE2 3.47Å; F369-F509 AromaticContact CD1-CZ 3.73Å; F369-F509 HydrophobicContact CD1-CZ 3.73Å; F369-F509 HydrophobicContact CE1-CE2 4.29Å; F369-F509 HydrophobicContact CE1-CZ 4.33Å; F369-F509 HydrophobicContact CG-CD2 4.46Å; F369-F509 HydrophobicContact CG-CE2 4.03Å; Y493-F509 AromaticContact CE1-CE1 3.92Å; Y493-F509 HydrophobicContact CE1-CE1 3.92Å; Y493-F509 HydrophobicContact CE1-CZ 4.5Å; P494-F509 HydrophobicContact CB-CB 4.27Å; P494-F509 HydrophobicContact CG-CB 4.09Å; P494-F509 HydrophobicContact CG-CD1 3.94Å; P494-F509 HydrophobicContact CG-CG 4.04Å; N495-F509 CarbonylContact O-C 3.6Å; N495-F509 WeakPolarHBondContact O-CA 3.36Å; C496-F509 HydrophobicContact CB-CD1 3.98Å; C496-F509 HydrophobicContact CB-CE1 3.93Å; M507-F509 HydrophobicContact CE-CE1 4.2Å; M507-F509 HydrophobicContact CE-CE2 4.14Å; M507-F509 HydrophobicContact CE-CZ 3.57Å; M507-F509 HydrophobicContact SD-CZ 4.46Å; F509-F528 HydrophobicContact CB-CB 4.09Å; F509-F528 HydrophobicContact CB-CD1 3.82Å; F509-F528 HydrophobicContact CB-CG 4.09Å; F509-W560 HydrophobicContact CD2-CD2 4.4Å; F509-W560 AromaticContact CD2-CE2 3.75Å; F509-W560 AromaticContact CD2-CH2 3.6Å; F509-W560 HydrophobicContact CD2-CH2 3.6Å; F509-W560 AromaticContact CD2-CZ2 3.34Å; F509-W560 HydrophobicContact CD2-CZ2 3.34Å; F509-W560 HydrophobicContact CD2-CZ3 4.28Å; F509-W560 AromaticContact CE2-CH2 3.48Å; F509-W560 HydrophobicContact CE2-CH2 3.48Å; F509-W560 VanDerWaalsContact CE2-CH2 3.48Å; F509-W560 AromaticContact CE2-CZ2 3.78Å; F509-W560 HydrophobicContact CE2-CZ2 3.78Å; F509-W560 AromaticContact CE2-CZ3 3.98Å; F509-W560 HydrophobicContact CE2-CZ3 3.98Å; F509-W560 HydrophobicContact CG-CZ2 4.35Å
510	G	90.7	Very high	86.4	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	157.4	179.4	0	0	0	0	0	113.4	N495 F528	N495-G510 WeakPolarHBondContact CB-O 3.36Å; N495-G510 PolarHBondContact N-O 3.05Å; N495-G510 VanDerWaalsContact N-O 3.08Å; N495-G510 PolarHBondContact O-N 3.17Å; G510-F528 CarbonylContact C-O 3.54Å; G510-F528 WeakPolarHBondContact CA-O 3.03Å
511	G	88.7	Confident	87.2	Confident	27 Å²	27	43.2 Å²	43.2	28%	0.278	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	99.3	179.4	175.7	0	0	0	0	0	113.4	F528	G511-F528 PolarHBondContact N-O 3.17Å; G511-F528 PolarHBondContact O-N 3.47Å
512	K	92.1	Very high	88.3	Confident	152 Å²	152	43.1 Å²	43.1	66%	0.661	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.7	-173.9	-170.8	176.5	-178.3	179.8	0	110.4	V525 I526	K512-V525 HydrophobicContact CD-CG1 4.26Å; K512-V525 HydrophobicContact CG-CG1 4.23Å; K512-I526 CarbonylContact C-O 3.46Å; K512-I526 WeakPolarHBondContact CA-O 3.47Å
513	V	95	Very high	89.6	Confident	15 Å²	15	40.9 Å²	40.9	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	169.3	179.6	-63	0	0	0	0	110.2	H492 P494 I526 F528	H492-V513 HydrophobicContact CB-CB 4.05Å; H492-V513 HydrophobicContact CB-CG1 4.14Å; P494-V513 HydrophobicContact CB-CG1 4.33Å; V513-I526 HydrophobicContact CG2-CB 3.84Å; V513-I526 HydrophobicContact CG2-CD1 4.34Å; V513-I526 HydrophobicContact CG2-CG2 4.34Å; V513-I526 PolarHBondContact N-O 3.09Å; V513-I526 PolarHBondContact O-N 2.98Å; V513-I526 VanDerWaalsContact O-O 3.09Å; V513-F528 HydrophobicContact CG2-CD2 4.21Å; V513-F528 HydrophobicContact CG2-CE2 3.87Å
514	Q	95.5	Very high	90.9	Very high	90 Å²	90	36.6 Å²	36.6	42%	0.421	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149	179.3	63.6	-175.8	3.6	0	0	112.1	H492 V516 A524	H492-Q514 PolarHBondContact N-O 2.63Å; H492-Q514 PolarHBondContact ND1-O 3.15Å; H492-Q514 VanDerWaalsContact ND1-O 3.08Å; Q514-V516 HydrophobicContact CB-CG2 4.2Å; Q514-V516 HydrophobicContact CG-CG2 3.96Å; Q514-A524 CarbonylContact C-O 3.39Å; Q514-A524 VanDerWaalsContact CA-O 3.22Å; Q514-A524 WeakPolarHBondContact CA-O 3.47Å
515	I	98	Very high	92.1	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.3	166.9	-59	166.8	0	0	0	106.8	L358 I361 L362 Y365 Y489 R490 L491 A523 A524 I526	L358-I515 HydrophobicContact CD1-CB 4.21Å; L358-I515 HydrophobicContact CD1-CG2 3.6Å; I361-I515 HydrophobicContact CG2-CD1 4.34Å; I361-I515 HydrophobicContact CG2-CG2 4.1Å; L362-I515 HydrophobicContact CD1-CD1 4.22Å; Y365-I515 HydrophobicContact CD1-CD1 4.01Å; Y365-I515 HydrophobicContact CD2-CD1 4.22Å; Y365-I515 HydrophobicContact CG-CD1 3.83Å; Y489-I515 HydrophobicContact CD1-CG2 4.45Å; R490-I515 VanDerWaalsContact O-CA 3.28Å; R490-I515 WeakPolarHBondContact O-CA 3.26Å; L491-I515 HydrophobicContact CB-CG1 4.47Å; L491-I515 HydrophobicContact CD2-CD1 4.25Å; L491-I515 HydrophobicContact CD2-CG1 4.21Å; L491-I515 HydrophobicContact CG-CG1 4.18Å; L491-I515 HydrophobicContact CG-CG2 4.23Å; I515-A523 CarbonylContact O-C 3.56Å; I515-A523 VanDerWaalsContact O-CA 3.27Å; I515-A523 WeakPolarHBondContact O-CA 3.29Å; I515-A524 HydrophobicContact CB-CB 4.37Å; I515-A524 PolarHBondContact N-O 3.28Å; I515-A524 PolarHBondContact O-N 3.02Å; I515-I526 HydrophobicContact CD1-CD1 3.98Å; I515-I526 HydrophobicContact CG1-CD1 3.92Å
516	V	96.7	Very high	93.1	Very high	37 Å²	37	34.2 Å²	34.2	22%	0.224	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.4	-174.1	-173.9	0	0	0	0	110.2	Y489 R490 Q514 A523	Y489-V516 CarbonylContact C-O 3.57Å; Y489-V516 VanDerWaalsContact CA-O 3.27Å; Y489-V516 WeakPolarHBondContact CA-O 3.48Å; R490-V516 PolarHBondContact N-O 3.13Å; R490-V516 PolarHBondContact O-N 3.44Å; Q514-V516 HydrophobicContact CB-CG2 4.2Å; Q514-V516 HydrophobicContact CG-CG2 3.96Å; V516-A523 HydrophobicContact CB-CB 4.49Å; V516-A523 HydrophobicContact CG1-CB 4.32Å; V516-A523 HydrophobicContact CG2-CB 3.97Å
517	S	95.1	Very high	93.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	123.5	167.7	174.2	0	0	0	0	109.7	E487 Q519 T520 G521 N522	E487-S517 WeakPolarHBondContact OE1-CB 3.19Å; E487-S517 PolarHBondContact OE1-OG 3.19Å; S517-Q519 VanDerWaalsContact C-N 3.31Å; S517-T520 WeakPolarHBondContact CB-OG1 3.03Å; S517-T520 PolarHBondContact OG-N 3.01Å; S517-T520 VanDerWaalsContact OG-N 3.1Å; S517-T520 PolarHBondContact OG-OG1 2.92Å; S517-G521 VanDerWaalsContact O-CA 3.27Å; S517-G521 WeakPolarHBondContact O-CA 3.42Å; S517-G521 PolarHBondContact O-N 3.2Å; S517-N522 PolarHBondContact N-O 3.21Å
518	Q	90.7	Very high	94.2	Very high	75 Å²	75	32.3 Å²	32.3	35%	0.35	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-29.6	178.6	-67.2	-176.5	-84.7	0	0	111.9	V488	V488-Q518 PolarHBondContact O-N 3.47Å
519	Q	89.4	Confident	94.3	Very high	67 Å²	67	33.9 Å²	33.9	31%	0.313	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-42.9	-176	-67.3	76.7	-1.1	0	0	112	Y486 E487 V488 S517	Y486-Q519 PolarHBondContact O-NE2 3.35Å; E487-Q519 HydrophobicContact CG-CB 4.34Å; V488-Q519 VanDerWaalsContact N-CD 3.31Å; V488-Q519 VanDerWaalsContact N-NE2 3.17Å; V488-Q519 PolarHBondContact O-OE1 3.39Å; S517-Q519 VanDerWaalsContact C-N 3.31Å
520	T	90.6	Very high	94	Very high	51 Å²	51	35 Å²	35	31%	0.313	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-15.8	-174.5	67.3	0	0	0	0	113.5	E487 S517 N522 P548	E487-T520 PolarHBondContact OE1-OG1 2.96Å; S517-T520 WeakPolarHBondContact CB-OG1 3.03Å; S517-T520 PolarHBondContact OG-N 3.01Å; S517-T520 VanDerWaalsContact OG-N 3.1Å; S517-T520 PolarHBondContact OG-OG1 2.92Å; T520-N522 PolarHBondContact O-N 2.84Å; T520-N522 VanDerWaalsContact O-N 3.17Å; T520-N522 WeakPolarHBondContact OG1-CB 3.43Å; T520-N522 PolarHBondContact OG1-N 3.19Å; T520-N522 PolarHBondContact OG1-ND2 2.83Å; T520-P548 WeakPolarHBondContact O-CG 3.13Å
521	G	93.2	Very high	93.4	Very high	33 Å²	33	39.9 Å²	39.9	34%	0.34	22%	0.217	S	C	.	.			trans	69.3	1.5	-174	0	0	0	0	0	114.3	S517 A523	S517-G521 VanDerWaalsContact O-CA 3.27Å; S517-G521 WeakPolarHBondContact O-CA 3.42Å; S517-G521 PolarHBondContact O-N 3.2Å; G521-A523 PolarHBondContact O-N 3.44Å
522	N	97.5	Very high	92.3	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.043	22%	0.219	C	C	.	.			trans	-57.4	133.8	170.1	-74.7	-16.5	0	0	0	109.2	S354 L358 S517 T520 R546 T547 P548	S354-N522 PolarHBondContact OG-ND2 2.9Å; S354-N522 VanDerWaalsContact OG-ND2 3.11Å; L358-N522 HydrophobicContact CD2-CB 3.79Å; S517-N522 PolarHBondContact N-O 3.21Å; T520-N522 PolarHBondContact O-N 2.84Å; T520-N522 VanDerWaalsContact O-N 3.17Å; T520-N522 WeakPolarHBondContact OG1-CB 3.43Å; T520-N522 PolarHBondContact OG1-N 3.19Å; T520-N522 PolarHBondContact OG1-ND2 2.83Å; N522-R546 WeakPolarHBondContact CA-O 3.27Å; N522-T547 WeakPolarHBondContact OD1-CA 3.45Å; N522-P548 WeakPolarHBondContact OD1-CD 3.41Å
523	A	98.4	Very high	90.6	Very high	23 Å²	23	42.2 Å²	42.2	19%	0.19	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.4	-173.2	0	0	0	0	0	112	I515 V516 G521 A545 R546	I515-A523 CarbonylContact O-C 3.56Å; I515-A523 VanDerWaalsContact O-CA 3.27Å; I515-A523 WeakPolarHBondContact O-CA 3.29Å; V516-A523 HydrophobicContact CB-CB 4.49Å; V516-A523 HydrophobicContact CG1-CB 4.32Å; V516-A523 HydrophobicContact CG2-CB 3.97Å; G521-A523 PolarHBondContact O-N 3.44Å; A523-A545 CarbonylContact O-C 3.6Å; A523-A545 WeakPolarHBondContact O-CA 3.29Å; A523-R546 PolarHBondContact N-O 3.22Å; A523-R546 PolarHBondContact O-N 3.46Å
524	A	98.8	Very high	88.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.7	166.8	0	0	0	0	0	109	L358 L362 Q514 I515 I526 E544 A545	L358-A524 HydrophobicContact CD1-CB 4.26Å; L358-A524 HydrophobicContact CD2-CB 4.4Å; L358-A524 HydrophobicContact CG-CB 4.41Å; L362-A524 HydrophobicContact CD1-CB 4.13Å; L362-A524 HydrophobicContact CD2-CB 4.2Å; Q514-A524 CarbonylContact C-O 3.39Å; Q514-A524 VanDerWaalsContact CA-O 3.22Å; Q514-A524 WeakPolarHBondContact CA-O 3.47Å; I515-A524 HydrophobicContact CB-CB 4.37Å; I515-A524 PolarHBondContact N-O 3.28Å; I515-A524 PolarHBondContact O-N 3.02Å; A524-I526 HydrophobicContact CB-CD1 4.2Å; A524-I526 WeakPolarHBondContact O-CD1 3.49Å; A524-E544 WeakPolarHBondContact CA-O 3.47Å; A524-A545 HydrophobicContact CB-CB 4.1Å
525	V	98.4	Very high	86.6	Confident	43 Å²	43	47.9 Å²	47.9	26%	0.261	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.8	174.9	176.8	0	0	0	0	107.9	K512 A543 E544	K512-V525 HydrophobicContact CD-CG1 4.26Å; K512-V525 HydrophobicContact CG-CG1 4.23Å; V525-A543 CarbonylContact O-C 3.57Å; V525-A543 WeakPolarHBondContact O-CA 3.26Å; V525-E544 PolarHBondContact N-O 3.12Å; V525-E544 PolarHBondContact O-N 3.16Å
526	I	98.5	Very high	85.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.7	-174.5	-52.4	97.6	0	0	0	109.2	L362 L366 K512 V513 I515 A524 F528 V541 T542 A543	L362-I526 HydrophobicContact CD1-CD1 4.05Å; L362-I526 HydrophobicContact CD1-CG1 3.69Å; L366-I526 HydrophobicContact CD2-CG2 3.79Å; K512-I526 CarbonylContact C-O 3.46Å; K512-I526 WeakPolarHBondContact CA-O 3.47Å; V513-I526 HydrophobicContact CG2-CB 3.84Å; V513-I526 HydrophobicContact CG2-CD1 4.34Å; V513-I526 HydrophobicContact CG2-CG2 4.34Å; V513-I526 PolarHBondContact N-O 3.09Å; V513-I526 PolarHBondContact O-N 2.98Å; V513-I526 VanDerWaalsContact O-O 3.09Å; I515-I526 HydrophobicContact CD1-CD1 3.98Å; I515-I526 HydrophobicContact CG1-CD1 3.92Å; A524-I526 HydrophobicContact CB-CD1 4.2Å; A524-I526 WeakPolarHBondContact O-CD1 3.49Å; I526-F528 HydrophobicContact CB-CE2 4.48Å; I526-F528 HydrophobicContact CG2-CD2 3.97Å; I526-F528 HydrophobicContact CG2-CE2 3.54Å; I526-F528 HydrophobicContact CG2-CZ 4.11Å; I526-V541 HydrophobicContact CG2-CG2 3.66Å; I526-T542 CarbonylContact C-O 3.5Å; I526-T542 WeakPolarHBondContact CA-O 3.37Å; I526-A543 HydrophobicContact CB-CB 4.25Å; I526-A543 HydrophobicContact CG1-CB 3.76Å; I526-A543 HydrophobicContact CG2-CB 4.29Å
527	T	96.5	Very high	84.1	Confident	39 Å²	39	56.9 Å²	56.9	24%	0.239	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117.6	172.6	-55.6	0	0	0	0	109	H529 V541 T542	T527-H529 PolarHBondContact O-CD2 2.59Å; T527-V541 WeakPolarHBondContact O-CA 3.34Å; T527-T542 PolarHBondContact N-O 3.29Å; T527-T542 PolarHBondContact O-N 2.99Å
528	F	94.1	Very high	83.5	Confident	3 Å²	3	58.6 Å²	58.6	1%	0.013	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.2	167.7	-68.6	-94.2	0	0	0	107.9	Y365 L366 F369 P494 F509 G510 G511 V513 I526 V541	Y365-F528 HydrophobicContact CE1-CE2 4.08Å; Y365-F528 AromaticContact CE1-CZ 3.95Å; Y365-F528 HydrophobicContact CE1-CZ 3.95Å; L366-F528 HydrophobicContact CD2-CZ 4.06Å; F369-F528 HydrophobicContact CD2-CE1 4.26Å; F369-F528 HydrophobicContact CD2-CZ 4.16Å; F369-F528 HydrophobicContact CE2-CE1 4.11Å; F369-F528 AromaticContact CE2-CZ 3.57Å; F369-F528 HydrophobicContact CE2-CZ 3.57Å; F369-F528 HydrophobicContact CZ-CE1 4.47Å; F369-F528 AromaticContact CZ-CZ 3.85Å; F369-F528 HydrophobicContact CZ-CZ 3.85Å; P494-F528 HydrophobicContact CB-CB 4.41Å; P494-F528 HydrophobicContact CB-CD2 3.56Å; P494-F528 HydrophobicContact CB-CE2 3.94Å; P494-F528 HydrophobicContact CB-CG 3.99Å; P494-F528 HydrophobicContact CG-CD2 3.91Å; P494-F528 HydrophobicContact CG-CE1 4.47Å; P494-F528 HydrophobicContact CG-CE2 3.82Å; P494-F528 HydrophobicContact CG-CG 4.27Å; P494-F528 HydrophobicContact CG-CZ 4.12Å; F509-F528 HydrophobicContact CB-CB 4.09Å; F509-F528 HydrophobicContact CB-CD1 3.82Å; F509-F528 HydrophobicContact CB-CG 4.09Å; G510-F528 CarbonylContact C-O 3.54Å; G510-F528 WeakPolarHBondContact CA-O 3.03Å; G511-F528 PolarHBondContact N-O 3.17Å; G511-F528 PolarHBondContact O-N 3.47Å; V513-F528 HydrophobicContact CG2-CD2 4.21Å; V513-F528 HydrophobicContact CG2-CE2 3.87Å; I526-F528 HydrophobicContact CB-CE2 4.48Å; I526-F528 HydrophobicContact CG2-CD2 3.97Å; I526-F528 HydrophobicContact CG2-CE2 3.54Å; I526-F528 HydrophobicContact CG2-CZ 4.11Å; F528-V541 HydrophobicContact CD1-CB 4.35Å; F528-V541 HydrophobicContact CD1-CG2 4.01Å; F528-V541 HydrophobicContact CE1-CB 4.47Å; F528-V541 HydrophobicContact CE1-CG2 3.96Å; F528-V541 HydrophobicContact CG-CG2 4.34Å; F528-V541 HydrophobicContact CZ-CG2 4.23Å
529	H	89.7	Confident	83.4	Confident	44 Å²	44	56.3 Å²	56.3	20%	0.204	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-94.7	124.1	-176.1	-60.8	-99.2	0	0	0	109.4	T527 R540 T542	T527-H529 PolarHBondContact O-CD2 2.59Å; H529-R540 HydrophobicContact CB-CB 4.12Å; H529-R540 PolarHBondContact CD2-O 2.79Å; H529-R540 PolarHBondContact CE1-NH2 2.93Å; H529-R540 PolarHBondContact N-O 2.83Å; H529-R540 PolarHBondContact ND1-NH2 2.57Å; H529-T542 WeakPolarHBondContact NE2-CG2 3.45Å; H529-T542 PolarHBondContact NE2-OG1 2.91Å
530	T	86.1	Confident	83.6	Confident	26 Å²	26	57.8 Å²	57.8	16%	0.16	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-73.2	144.5	166.8	54.9	0	0	0	0	109.8	F497 E508 P532	F497-T530 HydrophobicContact CD2-CG2 4.12Å; F497-T530 HydrophobicContact CE2-CG2 3.98Å; E508-T530 HydrophobicContact CG-CG2 4.24Å; T530-P532 WeakPolarHBondContact O-CD 3.46Å
531	K	77.5	Confident	83.9	Confident	102 Å²	102	55.4 Å²	55.4	44%	0.443	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-57.3	121.3	176.6	-171.1	-174.8	-173.4	166.3	0	109.8	E508 S538	E508-K531 VanDerWaalsContact OE1-CB 3.25Å; E508-K531 WeakPolarHBondContact OE1-CB 3.2Å; E508-K531 PolarHBondContact OE1-N 3.36Å; K531-S538 WeakPolarHBondContact CD-OG 3.07Å
532	P	67.3	Low	84.2	Confident	48 Å²	48	55.4 Å²	55.4	31%	0.312	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-63.8	158.2	174.7	-19.4	31.6	0	0	0	111.9	T530 Y534	T530-P532 WeakPolarHBondContact O-CD 3.46Å; P532-Y534 VanDerWaalsContact C-N 3.33Å; P532-Y534 PolarHBondContact O-N 2.76Å
533	F	55.4	Low	84.2	Confident	180 Å²	180	55.2 Å²	55.2	79%	0.789	29%	0.291	S	S	*	.	S	Bend	trans	-66.4	-32.9	177.1	-175	-97.4	0	0	0	113.2	D88	D88-F533 WeakPolarHBondContact O-CB 3.46Å
534	Y	49.7	Very low	84.3	Confident	177 Å²	177	56.4 Å²	56.4	69%	0.694	29%	0.292	S	S	*	.	S	Bend	trans	-102.3	72.6	-176.6	47.3	-90.1	0	0	0	112	P532	P532-Y534 VanDerWaalsContact C-N 3.33Å; P532-Y534 PolarHBondContact O-N 2.76Å
535	G	57.9	Low	84.3	Confident	47 Å²	47	56.4 Å²	56.4	49%	0.485	29%	0.292	S	S	.	.	S	Bend	trans	62.9	-176.3	-178.3	0	0	0	0	0	112.8
536	G	65.9	Low	84.3	Confident	55 Å²	55	58.6 Å²	58.6	57%	0.567	30%	0.296	S	S	*	.			trans	109.5	162.3	-171.3	0	0	0	0	0	112.6
537	K	75.5	Confident	84.2	Confident	173 Å²	173	59.4 Å²	59.4	75%	0.752	30%	0.301	S	S	*	.			trans	-78.2	137	-179.1	-61.8	-174.2	178.5	-174.3	0	109.8
538	S	82.4	Confident	84.2	Confident	36 Å²	36	61.9 Å²	61.9	25%	0.252	32%	0.318	S	S	.	.	S	Bend	trans	-69.2	165.8	165	-58	0	0	0	0	109.5	K531 R540	K531-S538 WeakPolarHBondContact CD-OG 3.07Å; S538-R540 PolarHBondContact O-N 3.09Å
539	H	89	Confident	84.3	Confident	27 Å²	27	67.9 Å²	67.9	13%	0.125	35%	0.354	C	S	.	.	S	Bend	trans	57.4	20.8	165.9	-47.1	-52	0	0	0	115.8	M507 D559 W560 R561	M507-H539 PolarHBondContact O-CE1 2.85Å; H539-D559 VanDerWaalsContact CB-OD1 3.23Å; H539-D559 WeakPolarHBondContact CB-OD1 3.28Å; H539-D559 WeakPolarHBondContact O-CA 3.17Å; H539-W560 HydrophobicContact CB-CD2 4.4Å; H539-W560 HydrophobicContact CB-CZ2 4.21Å; H539-W560 AromaticContact ND1-CE2 3.95Å; H539-W560 AromaticContact ND1-CZ2 3.49Å; H539-W560 WeakPolarHBondContact ND1-CZ2 3.49Å; H539-W560 PolarHBondContact O-N 3.05Å; H539-W560 VanDerWaalsContact O-N 3.17Å; H539-W560 PolarHBondContact O-NE1 2.93Å; H539-R561 HydrophobicContact CB-CG 4.34Å; H539-R561 PolarHBondContact CE1-NH1 3.48Å; H539-R561 PolarHBondContact NE2-NH1 2.99Å
540	R	93.7	Very high	84.5	Confident	98 Å²	98	67.8 Å²	67.8	37%	0.37	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	137.2	178.6	-175.3	-178.6	71.3	180	0.8	110.8	H529 S538 G558	H529-R540 HydrophobicContact CB-CB 4.12Å; H529-R540 PolarHBondContact CD2-O 2.79Å; H529-R540 PolarHBondContact CE1-NH2 2.93Å; H529-R540 PolarHBondContact N-O 2.83Å; H529-R540 PolarHBondContact ND1-NH2 2.57Å; S538-R540 PolarHBondContact O-N 3.09Å; R540-G558 CarbonylContact C-O 3.58Å; R540-G558 VanDerWaalsContact CA-O 3.27Å; R540-G558 WeakPolarHBondContact CA-O 3.44Å
541	V	97.3	Very high	85	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.006	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.6	172.4	67.4	0	0	0	0	110.4	L366 I526 T527 F528 E557 G558 W560 I564	L366-V541 HydrophobicContact CD2-CG2 3.68Å; I526-V541 HydrophobicContact CG2-CG2 3.66Å; T527-V541 WeakPolarHBondContact O-CA 3.34Å; F528-V541 HydrophobicContact CD1-CB 4.35Å; F528-V541 HydrophobicContact CD1-CG2 4.01Å; F528-V541 HydrophobicContact CE1-CB 4.47Å; F528-V541 HydrophobicContact CE1-CG2 3.96Å; F528-V541 HydrophobicContact CG-CG2 4.34Å; F528-V541 HydrophobicContact CZ-CG2 4.23Å; V541-E557 WeakPolarHBondContact O-CA 3.2Å; V541-G558 PolarHBondContact N-O 3.29Å; V541-G558 PolarHBondContact O-N 3.07Å; V541-W560 HydrophobicContact CG1-CB 4.08Å; V541-I564 HydrophobicContact CG1-CD1 4.36Å
542	T	98.2	Very high	86	Confident	34 Å²	34	70 Å²	70	21%	0.209	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.9	171.5	56.8	0	0	0	0	109.3	I526 T527 H529 A556 E557	I526-T542 CarbonylContact C-O 3.5Å; I526-T542 WeakPolarHBondContact CA-O 3.37Å; T527-T542 PolarHBondContact N-O 3.29Å; T527-T542 PolarHBondContact O-N 2.99Å; H529-T542 WeakPolarHBondContact NE2-CG2 3.45Å; H529-T542 PolarHBondContact NE2-OG1 2.91Å; T542-A556 CarbonylContact C-O 3.55Å; T542-A556 VanDerWaalsContact CA-O 3.27Å; T542-A556 WeakPolarHBondContact CA-O 3.4Å; T542-E557 HydrophobicContact CG2-CB 4.19Å; T542-E557 HydrophobicContact CG2-CG 3.78Å
543	A	98.7	Very high	87.5	Confident	4 Å²	4	68.1 Å²	68.1	3%	0.033	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	151.8	176.9	0	0	0	0	0	112.4	L362 L366 V525 I526 R555 A556	L362-A543 HydrophobicContact CD1-CB 4.13Å; L362-A543 HydrophobicContact CD2-CB 4.17Å; L366-A543 HydrophobicContact CD1-CB 4.41Å; V525-A543 CarbonylContact O-C 3.57Å; V525-A543 WeakPolarHBondContact O-CA 3.26Å; I526-A543 HydrophobicContact CB-CB 4.25Å; I526-A543 HydrophobicContact CG1-CB 3.76Å; I526-A543 HydrophobicContact CG2-CB 4.29Å; A543-R555 CarbonylContact O-C 3.58Å; A543-R555 WeakPolarHBondContact O-CA 3.48Å; A543-A556 HydrophobicContact CB-CB 4.22Å; A543-A556 PolarHBondContact N-O 3.13Å; A543-A556 PolarHBondContact O-N 2.69Å
544	E	98.7	Very high	89.6	Confident	47 Å²	47	59.6 Å²	59.6	22%	0.22	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	121.2	169.7	-62.4	-168.6	-145.4	0	0	110.1	A524 V525 R546 C554 R555	A524-E544 WeakPolarHBondContact CA-O 3.47Å; V525-E544 PolarHBondContact N-O 3.12Å; V525-E544 PolarHBondContact O-N 3.16Å; E544-R546 IonicContact OE1-NH2 3.09Å; E544-R546 PolarHBondContact OE1-NH2 2.99Å; E544-R546 IonicContact OE2-CZ 2.9Å; E544-R546 IonicContact OE2-NE 3.79Å; E544-R546 IonicContact OE2-NH1 3.52Å; E544-R546 PolarHBondContact OE2-NH1 2.98Å; E544-R546 IonicContact OE2-NH2 3.44Å; E544-R546 PolarHBondContact OE2-NH2 3.41Å; E544-C554 WeakPolarHBondContact CA-O 3.48Å; E544-R555 VanDerWaalsContact CD-CZ 3.43Å; E544-R555 HydrophobicContact CG-CG 4.24Å; E544-R555 IonicContact OE1-CZ 3.26Å; E544-R555 IonicContact OE1-NH1 3.58Å; E544-R555 PolarHBondContact OE1-NH1 2.9Å; E544-R555 IonicContact OE1-NH2 2.79Å; E544-R555 IonicContact OE2-CZ 3.6Å; E544-R555 IonicContact OE2-NH1 3.09Å; E544-R555 PolarHBondContact OE2-NH1 2.63Å; E544-R555 IonicContact OE2-NH2 2.63Å; E544-R555 PolarHBondContact OE2-NH2 2.81Å
545	A	98.8	Very high	91.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.5	172.3	0	0	0	0	0	110.6	L358 A523 A524 V552 F553 C554	L358-A545 HydrophobicContact CD2-CB 4.47Å; A523-A545 CarbonylContact O-C 3.6Å; A523-A545 WeakPolarHBondContact O-CA 3.29Å; A524-A545 HydrophobicContact CB-CB 4.1Å; A545-V552 WeakPolarHBondContact O-CA 3.47Å; A545-F553 HydrophobicContact CB-CD2 4.14Å; A545-F553 HydrophobicContact CB-CE1 4.5Å; A545-F553 HydrophobicContact CB-CE2 3.51Å; A545-F553 HydrophobicContact CB-CZ 3.75Å; A545-F553 PolarHBondContact O-N 3.31Å; A545-C554 HydrophobicContact CB-CB 4.13Å; A545-C554 PolarHBondContact N-O 2.89Å; A545-C554 PolarHBondContact O-N 3.36Å
546	R	98.6	Very high	93.9	Very high	89 Å²	89	54.3 Å²	54.3	34%	0.336	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	152.6	-171.5	-44.3	-171	-164.5	-131.2	5.8	111.7	N522 A523 E544 R551 V552	N522-R546 WeakPolarHBondContact CA-O 3.27Å; A523-R546 PolarHBondContact N-O 3.22Å; A523-R546 PolarHBondContact O-N 3.46Å; E544-R546 IonicContact OE1-NH2 3.09Å; E544-R546 PolarHBondContact OE1-NH2 2.99Å; E544-R546 IonicContact OE2-CZ 2.9Å; E544-R546 IonicContact OE2-NE 3.79Å; E544-R546 IonicContact OE2-NH1 3.52Å; E544-R546 PolarHBondContact OE2-NH1 2.98Å; E544-R546 IonicContact OE2-NH2 3.44Å; E544-R546 PolarHBondContact OE2-NH2 3.41Å; R546-R551 CarbonylContact C-O 3.46Å; R546-R551 VanDerWaalsContact CA-O 3.23Å; R546-R551 WeakPolarHBondContact CA-O 3.45Å; R546-V552 HydrophobicContact CG-CB 4.37Å; R546-V552 HydrophobicContact CG-CG2 3.77Å
547	T	97.8	Very high	95.4	Very high	17 Å²	17	56.9 Å²	56.9	10%	0.104	28%	0.283	C	S	.	.			trans	-77	166.2	168.2	62.4	0	0	0	0	111.3	E355 N522 T549 G550 R551 F553	E355-T547 WeakPolarHBondContact OE1-CG2 3.34Å; N522-T547 WeakPolarHBondContact OD1-CA 3.45Å; T547-T549 PolarHBondContact O-N 3.22Å; T547-T549 VanDerWaalsContact O-N 3.14Å; T547-T549 PolarHBondContact OG1-OG1 3.4Å; T547-G550 PolarHBondContact O-N 2.89Å; T547-R551 PolarHBondContact N-O 2.99Å; T547-R551 WeakPolarHBondContact OG1-CB 3.34Å; T547-R551 PolarHBondContact OG1-N 3.27Å; T547-R551 PolarHBondContact OG1-O 3.33Å; T547-F553 HydrophobicContact CG2-CD1 3.84Å; T547-F553 HydrophobicContact CG2-CE1 3.97Å
548	P	95.9	Very high	96.4	Very high	92 Å²	92	49.6 Å²	49.6	60%	0.597	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.3	173.8	-26.6	33.5	0	0	0	114.5	T520 N522 G550	T520-P548 WeakPolarHBondContact O-CG 3.13Å; N522-P548 WeakPolarHBondContact OD1-CD 3.41Å; P548-G550 PolarHBondContact O-N 2.99Å
549	T	96.1	Very high	97	Very high	128 Å²	128	49 Å²	49	79%	0.785	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-2.5	177.4	62.9	0	0	0	0	113	T547	T547-T549 PolarHBondContact O-N 3.22Å; T547-T549 VanDerWaalsContact O-N 3.14Å; T547-T549 PolarHBondContact OG1-OG1 3.4Å
550	G	94	Very high	97.3	Very high	42 Å²	42	47.8 Å²	47.8	43%	0.433	25%	0.246	S	C	.	.			trans	89.1	-3.9	-179.8	0	0	0	0	0	114.6	T547 P548 V552	T547-G550 PolarHBondContact O-N 2.89Å; P548-G550 PolarHBondContact O-N 2.99Å; G550-V552 PolarHBondContact O-N 3.47Å
551	R	97.4	Very high	97.2	Very high	144 Å²	144	45.6 Å²	45.6	54%	0.543	24%	0.238	S	C	.	.			trans	-63.3	120.6	175	-177.2	-173.7	74.2	-179.1	3.5	110.1	E355 R546 T547	E355-R551 IonicContact OE1-CZ 3.06Å; E355-R551 IonicContact OE1-NH2 3.67Å; E355-R551 PolarHBondContact OE1-NH2 3.04Å; E355-R551 IonicContact OE2-NH2 2.67Å; R546-R551 CarbonylContact C-O 3.46Å; R546-R551 VanDerWaalsContact CA-O 3.23Å; R546-R551 WeakPolarHBondContact CA-O 3.45Å; T547-R551 PolarHBondContact N-O 2.99Å; T547-R551 WeakPolarHBondContact OG1-CB 3.34Å; T547-R551 PolarHBondContact OG1-N 3.27Å; T547-R551 PolarHBondContact OG1-O 3.33Å
552	V	98.4	Very high	97	Very high	32 Å²	32	51 Å²	51	19%	0.194	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	127.3	174.4	-178.2	0	0	0	0	108.9	A545 R546 G550 R555	A545-V552 WeakPolarHBondContact O-CA 3.47Å; R546-V552 HydrophobicContact CG-CB 4.37Å; R546-V552 HydrophobicContact CG-CG2 3.77Å; G550-V552 PolarHBondContact O-N 3.47Å; V552-R555 HydrophobicContact CG1-CG 3.81Å
553	F	98.4	Very high	97	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.035	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-15.5	176.2	55.4	-100.3	0	0	0	113.4	E355 L358 V359 A545 T547 S569	E355-F553 HydrophobicContact CB-CD2 4.03Å; E355-F553 HydrophobicContact CB-CE1 4.34Å; E355-F553 HydrophobicContact CB-CE2 3.86Å; E355-F553 HydrophobicContact CB-CG 4.34Å; E355-F553 HydrophobicContact CB-CZ 4Å; E355-F553 HydrophobicContact CG-CD1 3.96Å; E355-F553 HydrophobicContact CG-CD2 4.36Å; E355-F553 HydrophobicContact CG-CE1 3.8Å; E355-F553 HydrophobicContact CG-CE2 4.24Å; E355-F553 HydrophobicContact CG-CG 4.21Å; E355-F553 HydrophobicContact CG-CZ 3.93Å; L358-F553 HydrophobicContact CD2-CZ 4.07Å; V359-F553 HydrophobicContact CG2-CD2 4.16Å; V359-F553 HydrophobicContact CG2-CE2 3.91Å; A545-F553 HydrophobicContact CB-CD2 4.14Å; A545-F553 HydrophobicContact CB-CE1 4.5Å; A545-F553 HydrophobicContact CB-CE2 3.51Å; A545-F553 HydrophobicContact CB-CZ 3.75Å; A545-F553 PolarHBondContact O-N 3.31Å; T547-F553 HydrophobicContact CG2-CD1 3.84Å; T547-F553 HydrophobicContact CG2-CE1 3.97Å; F553-S569 PolarHBondContact O-N 2.88Å; F553-S569 VanDerWaalsContact O-N 3.11Å
554	C	98.8	Very high	97	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	137.3	173.6	-178.8	0	0	0	0	110.7	V359 E544 A545 T567 F568	V359-C554 HydrophobicContact CG2-CB 3.75Å; E544-C554 WeakPolarHBondContact CA-O 3.48Å; A545-C554 HydrophobicContact CB-CB 4.13Å; A545-C554 PolarHBondContact N-O 2.89Å; A545-C554 PolarHBondContact O-N 3.36Å; C554-T567 CarbonylContact C-O 3.56Å; C554-T567 WeakPolarHBondContact CA-O 3.34Å; C554-F568 HydrophobicContact CB-CD1 4.1Å; C554-F568 HydrophobicContact CB-CE1 4.25Å
555	R	98.9	Very high	97	Very high	110 Å²	110	55.3 Å²	55.3	42%	0.415	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.3	169.3	-62.4	177.1	170.8	-78.3	-19.9	107.7	A543 E544 V552 F566 T567	A543-R555 CarbonylContact O-C 3.58Å; A543-R555 WeakPolarHBondContact O-CA 3.48Å; E544-R555 VanDerWaalsContact CD-CZ 3.43Å; E544-R555 HydrophobicContact CG-CG 4.24Å; E544-R555 IonicContact OE1-CZ 3.26Å; E544-R555 IonicContact OE1-NH1 3.58Å; E544-R555 PolarHBondContact OE1-NH1 2.9Å; E544-R555 IonicContact OE1-NH2 2.79Å; E544-R555 IonicContact OE2-CZ 3.6Å; E544-R555 IonicContact OE2-NH1 3.09Å; E544-R555 PolarHBondContact OE2-NH1 2.63Å; E544-R555 IonicContact OE2-NH2 2.63Å; E544-R555 PolarHBondContact OE2-NH2 2.81Å; V552-R555 HydrophobicContact CG1-CG 3.81Å; R555-F566 CarbonylContact O-C 3.58Å; R555-F566 VanDerWaalsContact O-CA 3.26Å; R555-F566 WeakPolarHBondContact O-CA 3.29Å; R555-T567 PolarHBondContact N-O 2.85Å; R555-T567 PolarHBondContact O-N 3.27Å
556	A	98.8	Very high	97	Very high	4 Å²	4	55.3 Å²	55.3	3%	0.033	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138	171.8	0	0	0	0	0	110.5	L366 T542 A543 I564 E565 F566	L366-A556 HydrophobicContact CD1-CB 4.16Å; T542-A556 CarbonylContact C-O 3.55Å; T542-A556 VanDerWaalsContact CA-O 3.27Å; T542-A556 WeakPolarHBondContact CA-O 3.4Å; A543-A556 HydrophobicContact CB-CB 4.22Å; A543-A556 PolarHBondContact N-O 3.13Å; A543-A556 PolarHBondContact O-N 2.69Å; A556-I564 HydrophobicContact CB-CG2 4.22Å; A556-E565 CarbonylContact C-O 3.57Å; A556-E565 WeakPolarHBondContact CA-O 3.31Å; A556-F566 HydrophobicContact CB-CD1 3.61Å; A556-F566 HydrophobicContact CB-CD2 4.43Å; A556-F566 HydrophobicContact CB-CE1 3.54Å; A556-F566 HydrophobicContact CB-CE2 4.35Å; A556-F566 HydrophobicContact CB-CG 4.07Å; A556-F566 HydrophobicContact CB-CZ 3.92Å
557	E	98.4	Very high	97	Very high	108 Å²	108	53.4 Å²	53.4	51%	0.505	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	143.5	174.6	177.3	163.8	-173.6	0	0	110.7	V541 T542 E565	V541-E557 WeakPolarHBondContact O-CA 3.2Å; T542-E557 HydrophobicContact CG2-CB 4.19Å; T542-E557 HydrophobicContact CG2-CG 3.78Å; E557-E565 PolarHBondContact N-O 2.94Å; E557-E565 PolarHBondContact O-N 3.31Å
558	G	96.9	Very high	97.1	Very high	21 Å²	21	54.6 Å²	54.6	22%	0.216	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.4	-155.8	175.1	0	0	0	0	0	113.6	R540 V541 I563	R540-G558 CarbonylContact C-O 3.58Å; R540-G558 VanDerWaalsContact CA-O 3.27Å; R540-G558 WeakPolarHBondContact CA-O 3.44Å; V541-G558 PolarHBondContact N-O 3.29Å; V541-G558 PolarHBondContact O-N 3.07Å; G558-I563 CarbonylContact C-O 3.55Å; G558-I563 VanDerWaalsContact CA-O 3.29Å; G558-I563 WeakPolarHBondContact CA-O 3.29Å
559	D	95.2	Very high	97.1	Very high	24 Å²	24	54.5 Å²	54.5	13%	0.128	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.9	172.4	-172.4	-41.8	0	0	0	108.6	H539 R561 E562 I563	H539-D559 VanDerWaalsContact CB-OD1 3.23Å; H539-D559 WeakPolarHBondContact CB-OD1 3.28Å; H539-D559 WeakPolarHBondContact O-CA 3.17Å; D559-R561 PolarHBondContact O-N 3.29Å; D559-R561 WeakPolarHBondContact OD1-CA 3.25Å; D559-R561 WeakPolarHBondContact OD1-CB 3.45Å; D559-R561 PolarHBondContact OD1-N 2.92Å; D559-E562 HydrophobicContact CB-CB 4.18Å; D559-E562 PolarHBondContact O-N 3.47Å; D559-E562 VanDerWaalsContact O-N 3.09Å; D559-I563 PolarHBondContact N-O 2.94Å; D559-I563 CarbonylContact O-C 3.5Å; D559-I563 PolarHBondContact O-N 3.05Å
560	W	94.4	Very high	97	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-4.7	-177.1	60.2	-100.7	0	0	0	114.1	F369 C373 F509 H539 V541 I564	F369-W560 HydrophobicContact CB-CD2 4.47Å; F369-W560 HydrophobicContact CB-CE3 3.75Å; F369-W560 HydrophobicContact CB-CZ3 3.94Å; C373-W560 HydrophobicContact CB-CH2 4.06Å; C373-W560 HydrophobicContact CB-CZ3 3.94Å; F509-W560 HydrophobicContact CD2-CD2 4.4Å; F509-W560 AromaticContact CD2-CE2 3.75Å; F509-W560 AromaticContact CD2-CH2 3.6Å; F509-W560 HydrophobicContact CD2-CH2 3.6Å; F509-W560 AromaticContact CD2-CZ2 3.34Å; F509-W560 HydrophobicContact CD2-CZ2 3.34Å; F509-W560 HydrophobicContact CD2-CZ3 4.28Å; F509-W560 AromaticContact CE2-CH2 3.48Å; F509-W560 HydrophobicContact CE2-CH2 3.48Å; F509-W560 VanDerWaalsContact CE2-CH2 3.48Å; F509-W560 AromaticContact CE2-CZ2 3.78Å; F509-W560 HydrophobicContact CE2-CZ2 3.78Å; F509-W560 AromaticContact CE2-CZ3 3.98Å; F509-W560 HydrophobicContact CE2-CZ3 3.98Å; F509-W560 HydrophobicContact CG-CZ2 4.35Å; H539-W560 HydrophobicContact CB-CD2 4.4Å; H539-W560 HydrophobicContact CB-CZ2 4.21Å; H539-W560 AromaticContact ND1-CE2 3.95Å; H539-W560 AromaticContact ND1-CZ2 3.49Å; H539-W560 WeakPolarHBondContact ND1-CZ2 3.49Å; H539-W560 PolarHBondContact O-N 3.05Å; H539-W560 VanDerWaalsContact O-N 3.17Å; H539-W560 PolarHBondContact O-NE1 2.93Å; V541-W560 HydrophobicContact CG1-CB 4.08Å; W560-I564 HydrophobicContact CB-CD1 4.38Å
561	R	91.6	Very high	97.1	Very high	52 Å²	52	55.2 Å²	55.2	20%	0.196	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-14	172.9	-62.5	-171.1	175	-175.5	-3.6	114.5	F370 M507 H539 D559 T579	F370-R561 HydrophobicContact CD2-CB 4.34Å; F370-R561 WeakPolarHBondContact CE2-O 3.03Å; M507-R561 PolarHBondContact O-NH2 3.1Å; H539-R561 HydrophobicContact CB-CG 4.34Å; H539-R561 PolarHBondContact CE1-NH1 3.48Å; H539-R561 PolarHBondContact NE2-NH1 2.99Å; D559-R561 PolarHBondContact O-N 3.29Å; D559-R561 WeakPolarHBondContact OD1-CA 3.25Å; D559-R561 WeakPolarHBondContact OD1-CB 3.45Å; D559-R561 PolarHBondContact OD1-N 2.92Å; R561-T579 WeakPolarHBondContact O-CG2 3.13Å
562	E	93.6	Very high	97.1	Very high	115 Å²	115	50.8 Å²	50.8	54%	0.537	28%	0.279	S	S	.	.	S	Bend	trans	-125.3	-85	-175.6	-62.4	-177.7	175.8	0	0	109.9	D559 D577 V578	D559-E562 HydrophobicContact CB-CB 4.18Å; D559-E562 PolarHBondContact O-N 3.47Å; D559-E562 VanDerWaalsContact O-N 3.09Å; E562-D577 CarbonylContact O-C 3.53Å; E562-V578 WeakPolarHBondContact O-CB 3.33Å; E562-V578 PolarHBondContact O-N 3.02Å
563	I	97.9	Very high	97.1	Very high	83 Å²	83	53.1 Å²	53.1	43%	0.426	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.5	-171	-61.3	175.7	0	0	0	110	G558 D559 T575 I576 D577	G558-I563 CarbonylContact C-O 3.55Å; G558-I563 VanDerWaalsContact CA-O 3.29Å; G558-I563 WeakPolarHBondContact CA-O 3.29Å; D559-I563 PolarHBondContact N-O 2.94Å; D559-I563 CarbonylContact O-C 3.5Å; D559-I563 PolarHBondContact O-N 3.05Å; I563-T575 HydrophobicContact CG2-CG2 3.25Å; I563-I576 WeakPolarHBondContact CA-O 3.49Å; I563-D577 HydrophobicContact CG1-CB 4.5Å
564	I	98.6	Very high	97.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.6	171.8	-48.5	178.7	0	0	0	109	L366 T367 V541 A556 W560 F566 I576 V578	L366-I564 HydrophobicContact CB-CD1 3.81Å; T367-I564 HydrophobicContact CG2-CD1 4.3Å; V541-I564 HydrophobicContact CG1-CD1 4.36Å; A556-I564 HydrophobicContact CB-CG2 4.22Å; W560-I564 HydrophobicContact CB-CD1 4.38Å; I564-F566 HydrophobicContact CB-CE2 3.97Å; I564-F566 HydrophobicContact CG2-CD2 4.08Å; I564-F566 HydrophobicContact CG2-CE2 3.47Å; I564-F566 VanDerWaalsContact CG2-CE2 3.47Å; I564-F566 HydrophobicContact CG2-CZ 4.02Å; I564-I576 PolarHBondContact N-O 3.31Å; I564-I576 PolarHBondContact O-N 3.24Å; I564-V578 HydrophobicContact CD1-CG2 4.15Å; I564-V578 HydrophobicContact CG1-CG2 4.08Å
565	E	98.8	Very high	97.1	Very high	91 Å²	91	60 Å²	60	43%	0.425	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.4	174.2	-171.9	177.5	109.6	0	0	110	A556 E557 V573	A556-E565 CarbonylContact C-O 3.57Å; A556-E565 WeakPolarHBondContact CA-O 3.31Å; E557-E565 PolarHBondContact N-O 2.94Å; E557-E565 PolarHBondContact O-N 3.31Å; E565-V573 HydrophobicContact CG-CG1 3.37Å
566	F	98.8	Very high	97	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.5	175.2	-70.5	-104.4	0	0	0	109.2	L362 K363 L366 R555 A556 I564 F568 V573 E574 I576	L362-F566 HydrophobicContact CD2-CE1 4.21Å; L362-F566 HydrophobicContact CG-CE1 4.25Å; K363-F566 HydrophobicContact CB-CZ 4.33Å; K363-F566 HydrophobicContact CG-CD1 4.15Å; K363-F566 HydrophobicContact CG-CE1 3.6Å; K363-F566 HydrophobicContact CG-CE2 4.1Å; K363-F566 HydrophobicContact CG-CZ 3.58Å; L366-F566 HydrophobicContact CD1-CE1 4.41Å; L366-F566 HydrophobicContact CD1-CZ 4.02Å; R555-F566 CarbonylContact O-C 3.58Å; R555-F566 VanDerWaalsContact O-CA 3.26Å; R555-F566 WeakPolarHBondContact O-CA 3.29Å; A556-F566 HydrophobicContact CB-CD1 3.61Å; A556-F566 HydrophobicContact CB-CD2 4.43Å; A556-F566 HydrophobicContact CB-CE1 3.54Å; A556-F566 HydrophobicContact CB-CE2 4.35Å; A556-F566 HydrophobicContact CB-CG 4.07Å; A556-F566 HydrophobicContact CB-CZ 3.92Å; I564-F566 HydrophobicContact CB-CE2 3.97Å; I564-F566 HydrophobicContact CG2-CD2 4.08Å; I564-F566 HydrophobicContact CG2-CE2 3.47Å; I564-F566 VanDerWaalsContact CG2-CE2 3.47Å; I564-F566 HydrophobicContact CG2-CZ 4.02Å; F566-F568 HydrophobicContact CB-CE2 4.2Å; F566-F568 HydrophobicContact CB-CZ 4.03Å; F566-V573 CarbonylContact O-C 3.59Å; F566-V573 VanDerWaalsContact O-CA 3.32Å; F566-V573 WeakPolarHBondContact O-CA 3.45Å; F566-E574 PolarHBondContact N-O 3.37Å; F566-E574 PolarHBondContact O-N 2.78Å; F566-I576 HydrophobicContact CD2-CD1 4.08Å; F566-I576 HydrophobicContact CE2-CD1 3.76Å
567	T	98.8	Very high	97	Very high	50 Å²	50	58.2 Å²	58.2	31%	0.307	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.4	175.7	-44.5	0	0	0	0	109.7	C554 R555 V573	C554-T567 CarbonylContact C-O 3.56Å; C554-T567 WeakPolarHBondContact CA-O 3.34Å; R555-T567 PolarHBondContact N-O 2.85Å; R555-T567 PolarHBondContact O-N 3.27Å; T567-V573 HydrophobicContact CG2-CG2 4.17Å
568	F	98.6	Very high	96.8	Very high	41 Å²	41	53.1 Å²	53.1	18%	0.18	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	162.8	-178.1	-60	-77.1	0	0	0	112.2	V359 C554 F566 D570 G571 S572 E574	V359-F568 HydrophobicContact CG1-CE1 3.82Å; V359-F568 HydrophobicContact CG1-CZ 4.29Å; V359-F568 HydrophobicContact CG2-CE1 4.33Å; C554-F568 HydrophobicContact CB-CD1 4.1Å; C554-F568 HydrophobicContact CB-CE1 4.25Å; F566-F568 HydrophobicContact CB-CE2 4.2Å; F566-F568 HydrophobicContact CB-CZ 4.03Å; F568-D570 WeakPolarHBondContact CB-OD1 3.34Å; F568-D570 PolarHBondContact O-N 3.45Å; F568-G571 PolarHBondContact O-N 2.69Å; F568-S572 WeakPolarHBondContact CD2-O 3.45Å; F568-S572 WeakPolarHBondContact CD2-OG 3.3Å; F568-S572 PolarHBondContact N-O 2.79Å; F568-E574 HydrophobicContact CE2-CB 3.87Å
569	S	95.7	Very high	96.7	Very high	91 Å²	91	55.1 Å²	55.1	64%	0.636	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.5	-178.6	48.4	0	0	0	0	114.9	F553	F553-S569 PolarHBondContact O-N 2.88Å; F553-S569 VanDerWaalsContact O-N 3.11Å
570	D	95.2	Very high	96.6	Very high	127 Å²	127	60.7 Å²	60.7	68%	0.679	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	0.4	173.7	63.8	1.5	0	0	0	113	F568 S572	F568-D570 WeakPolarHBondContact CB-OD1 3.34Å; F568-D570 PolarHBondContact O-N 3.45Å; D570-S572 VanDerWaalsContact C-N 3.31Å; D570-S572 VanDerWaalsContact OD1-CB 3.27Å; D570-S572 WeakPolarHBondContact OD1-CB 3.27Å; D570-S572 PolarHBondContact OD1-N 2.77Å; D570-S572 PolarHBondContact OD1-OG 2.75Å; D570-S572 PolarHBondContact OD2-OG 2.77Å
571	G	95.1	Very high	96.6	Very high	57 Å²	57	62 Å²	62	59%	0.588	35%	0.346	S	S	*	.	S	Bend	trans	85.5	-2.7	-177.9	0	0	0	0	0	114.1	F568	F568-G571 PolarHBondContact O-N 2.69Å
572	S	97.8	Very high	96.6	Very high	51 Å²	51	65.7 Å²	65.7	36%	0.357	37%	0.365	S	S	.	.			trans	-67.3	147	173.7	65.4	0	0	0	0	111.1	F568 D570	F568-S572 WeakPolarHBondContact CD2-O 3.45Å; F568-S572 WeakPolarHBondContact CD2-OG 3.3Å; F568-S572 PolarHBondContact N-O 2.79Å; D570-S572 VanDerWaalsContact C-N 3.31Å; D570-S572 VanDerWaalsContact OD1-CB 3.27Å; D570-S572 WeakPolarHBondContact OD1-CB 3.27Å; D570-S572 PolarHBondContact OD1-N 2.77Å; D570-S572 PolarHBondContact OD1-OG 2.75Å; D570-S572 PolarHBondContact OD2-OG 2.77Å
573	V	98.4	Very high	96.5	Very high	81 Å²	81	63.8 Å²	63.8	49%	0.491	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.3	-179.9	179.8	0	0	0	0	108.5	E565 F566 T567	E565-V573 HydrophobicContact CG-CG1 3.37Å; F566-V573 CarbonylContact O-C 3.59Å; F566-V573 VanDerWaalsContact O-CA 3.32Å; F566-V573 WeakPolarHBondContact O-CA 3.45Å; T567-V573 HydrophobicContact CG2-CG2 4.17Å
574	E	98.2	Very high	96.3	Very high	73 Å²	73	60 Å²	60	34%	0.341	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.1	174.4	-176.6	-174.5	147.9	0	0	109.3	K363 F566 F568	K363-E574 IonicContact NZ-OE1 3.16Å; K363-E574 PolarHBondContact NZ-OE1 3.01Å; K363-E574 IonicContact NZ-OE2 3.09Å; K363-E574 PolarHBondContact NZ-OE2 2.66Å; F566-E574 PolarHBondContact N-O 3.37Å; F566-E574 PolarHBondContact O-N 2.78Å; F568-E574 HydrophobicContact CE2-CB 3.87Å
575	T	98.4	Very high	96	Very high	81 Å²	81	61.6 Å²	61.6	50%	0.497	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.4	179.4	-54	0	0	0	0	109.3	I563	I563-T575 HydrophobicContact CG2-CG2 3.25Å
576	I	98.2	Very high	95.8	Very high	17 Å²	17	57.7 Å²	57.7	9%	0.087	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	115.6	176	-63.2	168.5	0	0	0	108.2	M344 K363 T367 I563 I564 F566 V578 I581	M344-I576 HydrophobicContact CE-CD1 3.92Å; K363-I576 HydrophobicContact CB-CD1 4.39Å; K363-I576 HydrophobicContact CD-CD1 3.98Å; K363-I576 HydrophobicContact CG-CD1 3.96Å; T367-I576 HydrophobicContact CG2-CG2 4.04Å; I563-I576 WeakPolarHBondContact CA-O 3.49Å; I564-I576 PolarHBondContact N-O 3.31Å; I564-I576 PolarHBondContact O-N 3.24Å; F566-I576 HydrophobicContact CD2-CD1 4.08Å; F566-I576 HydrophobicContact CE2-CD1 3.76Å; I576-V578 PolarHBondContact O-N 3.14Å; I576-I581 HydrophobicContact CG2-CD1 3.94Å; I576-I581 HydrophobicContact CG2-CG1 4.42Å
577	D	97.6	Very high	95.6	Very high	59 Å²	59	57.9 Å²	57.9	32%	0.316	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	104.4	164	-173	-22.4	0	0	0	108.7	E562 I563 T579 Q580	E562-D577 CarbonylContact O-C 3.53Å; I563-D577 HydrophobicContact CG1-CB 4.5Å; D577-T579 PolarHBondContact O-N 3.06Å; D577-T579 WeakPolarHBondContact OD1-CB 3.43Å; D577-T579 PolarHBondContact OD1-N 2.87Å; D577-T579 PolarHBondContact OD1-OG1 3.03Å; D577-Q580 HydrophobicContact CB-CB 4.34Å; D577-Q580 HydrophobicContact CB-CG 3.96Å; D577-Q580 PolarHBondContact O-N 3.39Å; D577-Q580 WeakPolarHBondContact OD2-CG 3.41Å
578	V	95.7	Very high	95.4	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-63	-29.5	-177.8	-173.2	0	0	0	0	111.1	T367 F370 E562 I564 I576 Q580 I581	T367-V578 HydrophobicContact CG2-CG2 3.95Å; F370-V578 HydrophobicContact CB-CG1 3.41Å; F370-V578 VanDerWaalsContact CB-CG1 3.41Å; F370-V578 HydrophobicContact CD1-CG1 4Å; F370-V578 HydrophobicContact CD2-CG1 4.13Å; F370-V578 HydrophobicContact CG-CG1 3.61Å; E562-V578 WeakPolarHBondContact O-CB 3.33Å; E562-V578 PolarHBondContact O-N 3.02Å; I564-V578 HydrophobicContact CD1-CG2 4.15Å; I564-V578 HydrophobicContact CG1-CG2 4.08Å; I576-V578 PolarHBondContact O-N 3.14Å; V578-Q580 PolarHBondContact O-N 2.85Å; V578-I581 HydrophobicContact CB-CD1 4.49Å; V578-I581 HydrophobicContact CG1-CD1 4.25Å; V578-I581 PolarHBondContact O-N 3.11Å
579	T	93.2	Very high	95.2	Very high	64 Å²	64	54.5 Å²	54.5	39%	0.393	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-71.4	-21.6	-179.7	74.3	0	0	0	0	113	F370 R561 D577	F370-T579 HydrophobicContact CE2-CG2 4.29Å; F370-T579 HydrophobicContact CZ-CG2 4.36Å; R561-T579 WeakPolarHBondContact O-CG2 3.13Å; D577-T579 PolarHBondContact O-N 3.06Å; D577-T579 WeakPolarHBondContact OD1-CB 3.43Å; D577-T579 PolarHBondContact OD1-N 2.87Å; D577-T579 PolarHBondContact OD1-OG1 3.03Å
580	Q	94.4	Very high	95	Very high	141 Å²	141	51.9 Å²	51.9	66%	0.659	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-93	-1.2	178.7	-56.3	-55.1	-48.8	0	0	113.1	D577 V578 E582	D577-Q580 HydrophobicContact CB-CB 4.34Å; D577-Q580 HydrophobicContact CB-CG 3.96Å; D577-Q580 PolarHBondContact O-N 3.39Å; D577-Q580 WeakPolarHBondContact OD2-CG 3.41Å; V578-Q580 PolarHBondContact O-N 2.85Å; Q580-E582 PolarHBondContact O-N 3.05Å
581	I	93.5	Very high	94.9	Very high	28 Å²	28	48 Å²	48	14%	0.144	27%	0.269	C	S	.	.	S	Bend	trans	-72	119.2	177.6	-59.2	176.8	0	0	0	109.2	M344 T367 F371 I576 V578 R583	M344-I581 HydrophobicContact SD-CD1 4.5Å; T367-I581 HydrophobicContact CG2-CD1 3.82Å; F371-I581 HydrophobicContact CE2-CG2 4.21Å; F371-I581 HydrophobicContact CZ-CB 4Å; F371-I581 HydrophobicContact CZ-CG2 3.72Å; I576-I581 HydrophobicContact CG2-CD1 3.94Å; I576-I581 HydrophobicContact CG2-CG1 4.42Å; V578-I581 HydrophobicContact CB-CD1 4.49Å; V578-I581 HydrophobicContact CG1-CD1 4.25Å; V578-I581 PolarHBondContact O-N 3.11Å; I581-R583 PolarHBondContact O-N 2.99Å
582	E	91.8	Very high	94.8	Very high	130 Å²	130	55 Å²	55	61%	0.607	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-63	122	175.2	-66.6	-173.1	169.7	0	0	111	Q580 G584	Q580-E582 PolarHBondContact O-N 3.05Å; E582-G584 PolarHBondContact O-N 2.76Å
583	R	92.6	Very high	94.6	Very high	74 Å²	74	55.4 Å²	55.4	28%	0.279	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-69.2	124.9	173.1	-171	-171.9	-178.6	-124.6	6.5	109.1	E284 A340 F371 W394 S397 I581	E284-R583 IonicContact OE2-NH1 2.83Å; E284-R583 IonicContact OE2-NH2 3.96Å; A340-R583 HydrophobicContact CB-CG 4Å; F371-R583 HydrophobicContact CD1-CB 4.17Å; F371-R583 HydrophobicContact CD1-CG 3.92Å; F371-R583 HydrophobicContact CE1-CB 3.77Å; F371-R583 HydrophobicContact CE1-CG 4.01Å; W394-R583 HydrophobicContact CZ3-CG 4.33Å; S397-R583 VanDerWaalsContact OG-C 3.23Å; S397-R583 PolarHBondContact OG-O 2.87Å; I581-R583 PolarHBondContact O-N 2.99Å
584	G	92.9	Very high	94.3	Very high	3 Å²	3	52.3 Å²	52.3	3%	0.031	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-55.7	157.9	171.9	0	0	0	0	0	112.7	A340 W394 V395 S397 E582	A340-G584 PolarHBondContact O-N 2.91Å; W394-G584 WeakPolarHBondContact CZ3-O 3.47Å; V395-G584 CarbonylContact O-C 3.35Å; V395-G584 WeakPolarHBondContact O-CA 3.22Å; S397-G584 WeakPolarHBondContact OG-CA 3.47Å; E582-G584 PolarHBondContact O-N 2.76Å
585	T	93.2	Very high	94	Very high	35 Å²	35	50.9 Å²	50.9	22%	0.215	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.8	176.1	-56.6	0	0	0	0	109.2	P283 W394 V395 F587	P283-T585 HydrophobicContact CB-CG2 4.18Å; W394-T585 WeakPolarHBondContact CA-O 3.44Å; V395-T585 PolarHBondContact N-O 3.37Å; V395-T585 PolarHBondContact O-N 3.22Å; T585-F587 HydrophobicContact CG2-CD2 4.15Å; T585-F587 HydrophobicContact CG2-CE2 3.6Å; T585-F587 HydrophobicContact CG2-CZ 4.17Å; T585-F587 WeakPolarHBondContact O-CD2 3.41Å
586	R	94	Very high	93.7	Very high	8 Å²	8	51.3 Å²	51.3	3%	0.03	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	131.5	174.1	-178.1	161	44	-162.6	0.7	110.1	E284 S336 D337 C392 S393 W394	E284-R586 HydrophobicContact CB-CB 4.31Å; E284-R586 WeakPolarHBondContact CB-O 3.39Å; E284-R586 PolarHBondContact N-O 2.88Å; E284-R586 IonicContact OE1-CZ 3.31Å; E284-R586 IonicContact OE1-NE 3.01Å; E284-R586 PolarHBondContact OE1-NE 3.08Å; E284-R586 IonicContact OE1-NH2 2.64Å; E284-R586 PolarHBondContact OE1-NH2 3.45Å; E284-R586 VanDerWaalsContact OE1-NH2 3.09Å; E284-R586 IonicContact OE2-CZ 3.01Å; E284-R586 VanDerWaalsContact OE2-CZ 3.31Å; E284-R586 IonicContact OE2-NE 2.59Å; E284-R586 PolarHBondContact OE2-NE 3.34Å; E284-R586 IonicContact OE2-NH2 3.76Å; E284-R586 PolarHBondContact OE2-NH2 2.94Å; S336-R586 PolarHBondContact OG-NH1 3.1Å; D337-R586 IonicContact OD1-CZ 2.73Å; D337-R586 IonicContact OD1-NH1 2.91Å; D337-R586 PolarHBondContact OD1-NH1 2.92Å; D337-R586 IonicContact OD1-NH2 3.56Å; C392-R586 HydrophobicContact CB-CG 4.1Å; S393-R586 CarbonylContact O-C 3.54Å; S393-R586 WeakPolarHBondContact O-CA 3.23Å; W394-R586 HydrophobicContact CD2-CB 4.05Å; W394-R586 HydrophobicContact CD2-CG 4.43Å; W394-R586 HydrophobicContact CE3-CB 3.83Å; W394-R586 HydrophobicContact CH2-CB 3.89Å; W394-R586 HydrophobicContact CZ2-CB 4.09Å; W394-R586 HydrophobicContact CZ2-CG 4.23Å; W394-R586 HydrophobicContact CZ3-CB 3.75Å
587	F	94.8	Very high	93.4	Very high	5 Å²	5	51.2 Å²	51.2	2%	0.022	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.6	176.3	-76.4	-100.6	0	0	0	109.1	E281 M282 P283 C392 S393 V395 Y400 F410 T585	E281-F587 HydrophobicContact CB-CB 4.02Å; M282-F587 VanDerWaalsContact O-CA 3.31Å; M282-F587 WeakPolarHBondContact O-CA 3.5Å; P283-F587 HydrophobicContact CB-CE1 4.41Å; P283-F587 HydrophobicContact CG-CD1 4.21Å; P283-F587 HydrophobicContact CG-CE1 3.57Å; P283-F587 HydrophobicContact CG-CZ 3.91Å; C392-F587 WeakPolarHBondContact CA-O 3.34Å; C392-F587 WeakPolarHBondContact CB-O 3.39Å; S393-F587 PolarHBondContact N-O 2.73Å; S393-F587 PolarHBondContact O-N 3.32Å; V395-F587 HydrophobicContact CB-CD2 4.29Å; V395-F587 HydrophobicContact CB-CE2 3.88Å; V395-F587 HydrophobicContact CG2-CD2 3.73Å; V395-F587 HydrophobicContact CG2-CE2 3.62Å; Y400-F587 HydrophobicContact CD2-CE2 4.4Å; Y400-F587 AromaticContact CD2-CZ 3.63Å; Y400-F587 HydrophobicContact CD2-CZ 3.63Å; Y400-F587 HydrophobicContact CE2-CE1 4.25Å; Y400-F587 AromaticContact CE2-CZ 3.7Å; Y400-F587 HydrophobicContact CE2-CZ 3.7Å; F410-F587 HydrophobicContact CE1-CE1 4.06Å; F410-F587 HydrophobicContact CE1-CZ 4.14Å; F410-F587 HydrophobicContact CZ-CD1 4.42Å; F410-F587 HydrophobicContact CZ-CE1 4.15Å; T585-F587 HydrophobicContact CG2-CD2 4.15Å; T585-F587 HydrophobicContact CG2-CE2 3.6Å; T585-F587 HydrophobicContact CG2-CZ 4.17Å; T585-F587 WeakPolarHBondContact O-CD2 3.41Å
588	I	94.2	Very high	93.3	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.046	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	146.2	-178.3	-170.6	166.6	0	0	0	110.3	M282 F390 C392 R600	M282-I588 PolarHBondContact N-O 3.43Å; M282-I588 PolarHBondContact O-N 2.96Å; F390-I588 HydrophobicContact CE2-CD1 3.65Å; F390-I588 HydrophobicContact CZ-CD1 3.78Å; C392-I588 HydrophobicContact CB-CB 4.47Å; I588-R600 HydrophobicContact CD1-CG 4.48Å
589	R	94	Very high	93.3	Very high	10 Å²	10	48.5 Å²	48.5	4%	0.038	24%	0.236	C	C	.	.			trans	-66.5	141.2	174.9	-67	-178.6	-66.5	148.7	5.7	110.1	F276 D280 E281 T391 K593 Q594 E598	F276-R589 VanDerWaalsContact CD2-CZ 3.41Å; D280-R589 HydrophobicContact CB-CG 3.98Å; E281-R589 HydrophobicContact CG-CG 3.85Å; T391-R589 PolarHBondContact OG1-NH2 3.37Å; R589-K593 PolarHBondContact NH1-O 3.4Å; R589-Q594 HydrophobicContact CB-CG 4.27Å; R589-Q594 PolarHBondContact O-NE2 3.32Å; R589-E598 IonicContact CZ-OE1 2.89Å; R589-E598 IonicContact NH2-OE1 2.6Å; R589-E598 PolarHBondContact NH2-OE1 3.35Å; R589-E598 IonicContact NH2-OE2 2.68Å; R589-E598 PolarHBondContact NH2-OE2 3.11Å; R589-E598 VanDerWaalsContact NH2-OE2 3.09Å
590	P	92.6	Very high	93.4	Very high	36 Å²	36	46 Å²	46	23%	0.234	22%	0.219	C	C	.	.			trans	-56.4	146	172.5	-25.9	33.9	0	0	0	112.2	D280 M282 R592 K593 Q594	D280-P590 VanDerWaalsContact O-CD 3.24Å; D280-P590 WeakPolarHBondContact O-CD 3.23Å; M282-P590 HydrophobicContact SD-CG 4.17Å; P590-R592 HydrophobicContact CB-CG 4.24Å; P590-R592 PolarHBondContact O-N 3.29Å; P590-K593 PolarHBondContact O-N 2.67Å; P590-Q594 PolarHBondContact O-N 2.97Å
591	V	92.6	Very high	93.4	Very high	47 Å²	47	41.3 Å²	41.3	29%	0.285	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-49.9	-38.8	-176.5	178.7	0	0	0	0	112.8	K593 Q594 R600 V601 K604	V591-K593 PolarHBondContact O-N 3.37Å; V591-K593 VanDerWaalsContact O-N 3.14Å; V591-Q594 PolarHBondContact O-N 2.72Å; V591-Q594 VanDerWaalsContact O-N 3.11Å; V591-R600 HydrophobicContact CG2-CB 4.11Å; V591-V601 HydrophobicContact CG1-CG2 3.88Å; V591-K604 HydrophobicContact CG1-CD 4.19Å; V591-K604 HydrophobicContact CG1-CG 4.5Å
592	R	92.7	Very high	93.5	Very high	203 Å²	203	40.8 Å²	40.8	77%	0.766	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-63.1	-16.4	177.7	68.5	-178.9	176	85.3	-2.9	115.3	P590	P590-R592 HydrophobicContact CB-CG 4.24Å; P590-R592 PolarHBondContact O-N 3.29Å
593	K	93.3	Very high	93.6	Very high	60 Å²	60	34.6 Å²	34.6	26%	0.261	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-108.2	-4.3	178.5	-67.7	-167.7	168.1	-168.9	0	112.5	D280 R589 P590 V591	D280-K593 HydrophobicContact CB-CD 3.82Å; D280-K593 IonicContact OD1-NZ 2.8Å; D280-K593 PolarHBondContact OD1-NZ 3.13Å; D280-K593 WeakPolarHBondContact OD2-CD 3.37Å; D280-K593 IonicContact OD2-NZ 2.73Å; D280-K593 PolarHBondContact OD2-NZ 3.29Å; R589-K593 PolarHBondContact NH1-O 3.4Å; P590-K593 PolarHBondContact O-N 2.67Å; V591-K593 PolarHBondContact O-N 3.37Å; V591-K593 VanDerWaalsContact O-N 3.14Å
594	Q	93.7	Very high	93.7	Very high	15 Å²	15	35.4 Å²	35.4	7%	0.07	18%	0.175	C	C	.	.	S	Bend	trans	-82.6	151.7	178.2	-70.2	-174.1	18.7	0	0	110.6	R589 P590 V591 E598 V601	R589-Q594 HydrophobicContact CB-CG 4.27Å; R589-Q594 PolarHBondContact O-NE2 3.32Å; P590-Q594 PolarHBondContact O-N 2.97Å; V591-Q594 PolarHBondContact O-N 2.72Å; V591-Q594 VanDerWaalsContact O-N 3.11Å; Q594-E598 VanDerWaalsContact CA-OE1 3.29Å; Q594-E598 WeakPolarHBondContact CA-OE1 3.45Å; Q594-E598 HydrophobicContact CB-CB 3.96Å; Q594-E598 HydrophobicContact CB-CG 4.39Å; Q594-E598 WeakPolarHBondContact CB-OE1 3.43Å; Q594-E598 HydrophobicContact CG-CB 4.47Å; Q594-V601 HydrophobicContact CB-CG2 3.57Å
595	H	90.8	Very high	93.7	Very high	44 Å²	44	40.5 Å²	40.5	20%	0.204	20%	0.196	C	C	.	.			trans	-65.6	149	174.3	-175.9	-95.4	0	0	0	110.7	L597 E598 V601	H595-L597 PolarHBondContact ND1-N 2.85Å; H595-L597 VanDerWaalsContact ND1-N 3.17Å; H595-L597 PolarHBondContact O-N 2.82Å; H595-E598 HydrophobicContact CB-CG 4.19Å; H595-E598 PolarHBondContact N-OE1 3.35Å; H595-E598 WeakPolarHBondContact O-CB 3.45Å; H595-E598 PolarHBondContact O-N 3.45Å; H595-V601 WeakPolarHBondContact O-CG2 3.27Å
596	P	91.8	Very high	93.7	Very high	89 Å²	89	38.8 Å²	38.8	58%	0.578	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.1	179.6	-30.6	37.3	0	0	0	116.2	V602	P596-V602 WeakPolarHBondContact O-CG2 3.46Å
597	L	92.6	Very high	93.6	Very high	16 Å²	16	39 Å²	39	8%	0.084	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	2.3	175.9	-60.8	-176	0	0	0	114.4	E388 M389 H595 F629 P637	E388-L597 WeakPolarHBondContact CA-O 3.38Å; M389-L597 PolarHBondContact N-O 3.26Å; H595-L597 PolarHBondContact ND1-N 2.85Å; H595-L597 VanDerWaalsContact ND1-N 3.17Å; H595-L597 PolarHBondContact O-N 2.82Å; L597-F629 HydrophobicContact CD2-CD1 4.44Å; L597-F629 HydrophobicContact CD2-CE1 3.49Å; L597-F629 VanDerWaalsContact CD2-CE1 3.49Å; L597-F629 HydrophobicContact CD2-CZ 4.04Å; L597-P637 HydrophobicContact CD1-CG 3.83Å
598	E	94.7	Very high	93.4	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-71.1	138.1	171.4	-82.8	180	-99.9	0	0	110.8	M389 T391 R589 Q594 H595 R600 V601 V602	M389-E598 HydrophobicContact CG-CB 4.47Å; M389-E598 HydrophobicContact CG-CG 3.66Å; M389-E598 CarbonylContact O-C 3.54Å; M389-E598 WeakPolarHBondContact O-CA 3.11Å; M389-E598 HydrophobicContact SD-CG 4.2Å; T391-E598 PolarHBondContact OG1-OE2 2.94Å; R589-E598 IonicContact CZ-OE1 2.89Å; R589-E598 IonicContact NH2-OE1 2.6Å; R589-E598 PolarHBondContact NH2-OE1 3.35Å; R589-E598 IonicContact NH2-OE2 2.68Å; R589-E598 PolarHBondContact NH2-OE2 3.11Å; R589-E598 VanDerWaalsContact NH2-OE2 3.09Å; Q594-E598 VanDerWaalsContact CA-OE1 3.29Å; Q594-E598 WeakPolarHBondContact CA-OE1 3.45Å; Q594-E598 HydrophobicContact CB-CB 3.96Å; Q594-E598 HydrophobicContact CB-CG 4.39Å; Q594-E598 WeakPolarHBondContact CB-OE1 3.43Å; Q594-E598 HydrophobicContact CG-CB 4.47Å; H595-E598 HydrophobicContact CB-CG 4.19Å; H595-E598 PolarHBondContact N-OE1 3.35Å; H595-E598 WeakPolarHBondContact O-CB 3.45Å; H595-E598 PolarHBondContact O-N 3.45Å; E598-R600 VanDerWaalsContact C-N 3.25Å; E598-R600 PolarHBondContact O-N 3.33Å; E598-V601 WeakPolarHBondContact O-CA 3.33Å; E598-V601 WeakPolarHBondContact O-CB 3.45Å; E598-V601 PolarHBondContact O-N 2.92Å; E598-V602 PolarHBondContact O-N 2.65Å
599	S	96	Very high	93.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.007	21%	0.211	C	C	.	.	H	α-helix	trans	-49.7	-42.2	-169.9	-59.7	0	0	0	0	113.8	S330 E388 M389 V601 V602 W603	S330-S599 WeakPolarHBondContact CB-OG 3.24Å; E388-S599 WeakPolarHBondContact OE1-CA 3.08Å; E388-S599 WeakPolarHBondContact OE1-CB 3.35Å; E388-S599 PolarHBondContact OE1-OG 3.06Å; M389-S599 PolarHBondContact O-N 2.76Å; M389-S599 PolarHBondContact O-OG 2.82Å; S599-V601 VanDerWaalsContact C-N 3.27Å; S599-V601 PolarHBondContact O-N 3.41Å; S599-V602 PolarHBondContact O-N 3.17Å; S599-W603 WeakPolarHBondContact O-CB 3.45Å; S599-W603 PolarHBondContact O-N 3.27Å
600	R	94.8	Very high	93	Very high	12 Å²	12	43.9 Å²	43.9	5%	0.045	21%	0.214	C	C	.	.	H	α-helix	trans	-71.9	-21.5	-178.3	-63	-164.6	177.5	178.8	8.4	113.5	E284 E333 F390 I588 V591 E598 K604	E284-R600 IonicContact OE1-CZ 2.67Å; E284-R600 IonicContact OE1-NH2 3.87Å; E284-R600 PolarHBondContact OE1-NH2 3.4Å; E333-R600 IonicContact OE1-CZ 2.72Å; E333-R600 IonicContact OE1-NE 3.7Å; E333-R600 PolarHBondContact OE1-NE 2.89Å; E333-R600 VanDerWaalsContact OE1-NE 3.16Å; E333-R600 IonicContact OE1-NH2 3.18Å; E333-R600 PolarHBondContact OE1-NH2 2.85Å; E333-R600 IonicContact OE2-NE 3.05Å; F390-R600 HydrophobicContact CE2-CG 4.45Å; I588-R600 HydrophobicContact CD1-CG 4.48Å; V591-R600 HydrophobicContact CG2-CB 4.11Å; E598-R600 VanDerWaalsContact C-N 3.25Å; E598-R600 PolarHBondContact O-N 3.33Å; R600-K604 VanDerWaalsContact O-CB 3.31Å; R600-K604 WeakPolarHBondContact O-CB 3.06Å; R600-K604 PolarHBondContact O-N 2.72Å
601	V	95.5	Very high	92.6	Very high	42 Å²	42	47.1 Å²	47.1	26%	0.255	23%	0.226	S	C	.	.	H	α-helix	trans	-79.7	-50.2	171.2	-175.3	0	0	0	0	109.8	V591 Q594 H595 E598 S599 W603 K604	V591-V601 HydrophobicContact CG1-CG2 3.88Å; Q594-V601 HydrophobicContact CB-CG2 3.57Å; H595-V601 WeakPolarHBondContact O-CG2 3.27Å; E598-V601 WeakPolarHBondContact O-CA 3.33Å; E598-V601 WeakPolarHBondContact O-CB 3.45Å; E598-V601 PolarHBondContact O-N 2.92Å; S599-V601 VanDerWaalsContact C-N 3.27Å; S599-V601 PolarHBondContact O-N 3.41Å; V601-W603 VanDerWaalsContact C-N 3.31Å; V601-W603 PolarHBondContact O-N 2.98Å; V601-K604 VanDerWaalsContact O-CB 3.3Å; V601-K604 WeakPolarHBondContact O-CB 3.2Å; V601-K604 PolarHBondContact O-N 3.18Å; V601-K604 VanDerWaalsContact O-N 3.14Å
602	V	94.4	Very high	92.4	Very high	16 Å²	16	49 Å²	49	10%	0.097	24%	0.241	C	C	.	.	H	α-helix	trans	-53.5	-48.3	179.8	173.2	0	0	0	0	111.3	V385 E388 P596 E598 S599 I625 F629	V385-V602 HydrophobicContact CG2-CG1 4Å; E388-V602 HydrophobicContact CG-CG2 4.31Å; P596-V602 WeakPolarHBondContact O-CG2 3.46Å; E598-V602 PolarHBondContact O-N 2.65Å; S599-V602 PolarHBondContact O-N 3.17Å; V602-I625 HydrophobicContact CG1-CG2 3.82Å; V602-I625 WeakPolarHBondContact O-CD1 3.37Å; V602-F629 HydrophobicContact CG1-CE2 4.33Å
603	W	94.7	Very high	91.9	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	3.1	-175.3	-61.5	105.8	0	0	0	113.7	F382 N383 V385 E388 S599 V601 K605 L606 I607 K622 I625 E626	F382-W603 HydrophobicContact CB-CD2 3.95Å; F382-W603 HydrophobicContact CB-CE3 4.17Å; F382-W603 HydrophobicContact CB-CH2 3.88Å; F382-W603 HydrophobicContact CB-CZ2 3.66Å; F382-W603 HydrophobicContact CB-CZ3 4.13Å; F382-W603 HydrophobicContact CD1-CZ3 4.46Å; F382-W603 HydrophobicContact CD2-CB 4.2Å; F382-W603 AromaticContact CD2-CD2 3.71Å; F382-W603 HydrophobicContact CD2-CD2 3.71Å; F382-W603 AromaticContact CD2-CE3 3.89Å; F382-W603 HydrophobicContact CD2-CE3 3.89Å; F382-W603 AromaticContact CD2-CG 3.84Å; F382-W603 HydrophobicContact CD2-CG 3.84Å; F382-W603 HydrophobicContact CE2-CB 4.37Å; F382-W603 HydrophobicContact CE2-CD2 4.49Å; F382-W603 HydrophobicContact CE2-CE3 4.43Å; F382-W603 HydrophobicContact CE2-CG 4.48Å; F382-W603 AromaticContact CG-CD2 3.98Å; F382-W603 HydrophobicContact CG-CD2 3.98Å; F382-W603 AromaticContact CG-CE3 3.95Å; F382-W603 HydrophobicContact CG-CE3 3.95Å; F382-W603 HydrophobicContact CG-CH2 4.41Å; F382-W603 HydrophobicContact CG-CZ2 4.47Å; F382-W603 HydrophobicContact CG-CZ3 4.15Å; N383-W603 WeakPolarHBondContact O-CZ2 3.49Å; V385-W603 HydrophobicContact CG1-CZ2 4.17Å; E388-W603 PolarHBondContact OE1-NE1 3.14Å; E388-W603 VanDerWaalsContact OE1-NE1 3.17Å; E388-W603 PolarHBondContact OE2-NE1 3.38Å; S599-W603 WeakPolarHBondContact O-CB 3.45Å; S599-W603 PolarHBondContact O-N 3.27Å; V601-W603 VanDerWaalsContact C-N 3.31Å; V601-W603 PolarHBondContact O-N 2.98Å; W603-K605 PolarHBondContact O-N 3.17Å; W603-L606 HydrophobicContact CE3-CB 4.47Å; W603-L606 HydrophobicContact CE3-CD2 3.56Å; W603-L606 HydrophobicContact CZ3-CD2 3.8Å; W603-L606 WeakPolarHBondContact O-CB 3.33Å; W603-L606 PolarHBondContact O-N 3.02Å; W603-I607 HydrophobicContact CB-CD1 3.89Å; W603-I607 HydrophobicContact CB-CG1 4.37Å; W603-I607 VanDerWaalsContact O-CG1 3.3Å; W603-I607 WeakPolarHBondContact O-CG1 3.43Å; W603-I607 PolarHBondContact O-N 3.2Å; W603-K622 HydrophobicContact CZ3-CG 4.4Å; W603-I625 HydrophobicContact CE3-CD1 3.8Å; W603-I625 HydrophobicContact CE3-CG2 4.08Å; W603-I625 HydrophobicContact CH2-CB 4.39Å; W603-I625 HydrophobicContact CH2-CG2 3.62Å; W603-I625 HydrophobicContact CZ2-CG2 4.05Å; W603-I625 HydrophobicContact CZ3-CB 4.05Å; W603-I625 HydrophobicContact CZ3-CD1 4.02Å; W603-I625 HydrophobicContact CZ3-CG2 3.64Å; W603-E626 HydrophobicContact CH2-CG 4.28Å
604	K	94.2	Very high	91.6	Very high	90 Å²	90	42.1 Å²	42.1	39%	0.391	24%	0.235	S	C	.	.	H	α-helix	trans	-56.6	-54.4	-172	-162.1	-156.2	-179.5	-48.7	0	112.8	V591 R600 V601 L606 I607 D608	V591-K604 HydrophobicContact CG1-CD 4.19Å; V591-K604 HydrophobicContact CG1-CG 4.5Å; R600-K604 VanDerWaalsContact O-CB 3.31Å; R600-K604 WeakPolarHBondContact O-CB 3.06Å; R600-K604 PolarHBondContact O-N 2.72Å; V601-K604 VanDerWaalsContact O-CB 3.3Å; V601-K604 WeakPolarHBondContact O-CB 3.2Å; V601-K604 PolarHBondContact O-N 3.18Å; V601-K604 VanDerWaalsContact O-N 3.14Å; K604-L606 VanDerWaalsContact C-N 3.27Å; K604-L606 PolarHBondContact O-N 3.1Å; K604-I607 PolarHBondContact O-N 3.35Å; K604-I607 VanDerWaalsContact O-N 3.14Å; K604-D608 IonicContact NZ-OD1 3.55Å; K604-D608 PolarHBondContact NZ-OD1 3.24Å; K604-D608 IonicContact NZ-OD2 3.02Å; K604-D608 PolarHBondContact NZ-OD2 3.09Å; K604-D608 VanDerWaalsContact O-CG 3.24Å; K604-D608 PolarHBondContact O-N 2.67Å
605	K	94.1	Very high	91	Very high	110 Å²	110	44.3 Å²	44.3	48%	0.478	25%	0.25	S	C	.	.	H	α-helix	trans	-55	-45.2	-179.4	178.9	-174.4	174.1	-169.6	0	110.8	W603 L609 A621 E624	W603-K605 PolarHBondContact O-N 3.17Å; K605-L609 HydrophobicContact CG-CD1 4.11Å; K605-L609 WeakPolarHBondContact O-CD1 3.47Å; K605-L609 VanDerWaalsContact O-CG 3.26Å; K605-L609 WeakPolarHBondContact O-CG 3.36Å; K605-L609 PolarHBondContact O-N 3.45Å; K605-L609 VanDerWaalsContact O-N 3.11Å; K605-A621 HydrophobicContact CD-CB 4.2Å; K605-A621 HydrophobicContact CG-CB 4.36Å; K605-E624 IonicContact NZ-OE2 2.61Å; K605-E624 PolarHBondContact NZ-OE2 3.28Å
606	L	93.2	Very high	90.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-47.3	178.6	177.2	57.6	0	0	0	111.8	A323 F382 W603 K604 L609 L610 A618 K622 I625	A323-L606 HydrophobicContact CB-CD1 3.91Å; F382-L606 HydrophobicContact CD1-CD2 4Å; F382-L606 HydrophobicContact CD2-CD2 4.45Å; F382-L606 HydrophobicContact CE1-CD2 3.46Å; F382-L606 VanDerWaalsContact CE1-CD2 3.46Å; F382-L606 HydrophobicContact CE1-CG 4.39Å; F382-L606 HydrophobicContact CE2-CD2 3.97Å; F382-L606 HydrophobicContact CG-CD2 4.48Å; F382-L606 HydrophobicContact CZ-CD2 3.46Å; F382-L606 VanDerWaalsContact CZ-CD2 3.46Å; F382-L606 HydrophobicContact CZ-CG 4.01Å; W603-L606 HydrophobicContact CE3-CB 4.47Å; W603-L606 HydrophobicContact CE3-CD2 3.56Å; W603-L606 HydrophobicContact CZ3-CD2 3.8Å; W603-L606 WeakPolarHBondContact O-CB 3.33Å; W603-L606 PolarHBondContact O-N 3.02Å; K604-L606 VanDerWaalsContact C-N 3.27Å; K604-L606 PolarHBondContact O-N 3.1Å; L606-L609 PolarHBondContact O-N 3.21Å; L606-L610 HydrophobicContact CD1-CD1 4.19Å; L606-L610 HydrophobicContact CD1-CG 4.27Å; L606-L610 HydrophobicContact CG-CD1 4.08Å; L606-L610 WeakPolarHBondContact O-CG 3.49Å; L606-L610 PolarHBondContact O-N 3.48Å; L606-A618 HydrophobicContact CD1-CB 3.7Å; L606-A618 WeakPolarHBondContact CD1-O 3.08Å; L606-K622 HydrophobicContact CD1-CB 4.09Å; L606-K622 HydrophobicContact CD2-CB 3.87Å; L606-K622 HydrophobicContact CD2-CD 4.38Å; L606-K622 HydrophobicContact CD2-CG 4.07Å; L606-I625 HydrophobicContact CB-CD1 4.27Å
607	I	90.9	Very high	90.8	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.062	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-42.4	-179.1	-68.7	167.1	0	0	0	110.7	K328 F382 W603 K604 L609 L610 H611	K328-I607 HydrophobicContact CB-CG1 4.36Å; K328-I607 VanDerWaalsContact O-CD1 3.29Å; K328-I607 WeakPolarHBondContact O-CD1 3.4Å; F382-I607 HydrophobicContact CE2-CG1 4.14Å; W603-I607 HydrophobicContact CB-CD1 3.89Å; W603-I607 HydrophobicContact CB-CG1 4.37Å; W603-I607 VanDerWaalsContact O-CG1 3.3Å; W603-I607 WeakPolarHBondContact O-CG1 3.43Å; W603-I607 PolarHBondContact O-N 3.2Å; K604-I607 PolarHBondContact O-N 3.35Å; K604-I607 VanDerWaalsContact O-N 3.14Å; I607-L609 PolarHBondContact O-N 3.26Å; I607-L610 PolarHBondContact O-N 3.02Å; I607-H611 WeakPolarHBondContact CG2-CE1 3.42Å; I607-H611 PolarHBondContact O-N 2.9Å; I607-H611 PolarHBondContact O-ND1 3.39Å; I607-H611 VanDerWaalsContact O-ND1 3.11Å
608	D	91.9	Very high	90.6	Very high	73 Å²	73	47.9 Å²	47.9	39%	0.39	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-45	176.1	-64.8	-20.5	0	0	0	111.4	K604 L610 H611 S612	K604-D608 IonicContact NZ-OD1 3.55Å; K604-D608 PolarHBondContact NZ-OD1 3.24Å; K604-D608 IonicContact NZ-OD2 3.02Å; K604-D608 PolarHBondContact NZ-OD2 3.09Å; K604-D608 VanDerWaalsContact O-CG 3.24Å; K604-D608 PolarHBondContact O-N 2.67Å; D608-L610 PolarHBondContact O-N 3.39Å; D608-H611 WeakPolarHBondContact O-CB 3.34Å; D608-H611 PolarHBondContact O-N 3.39Å; D608-H611 VanDerWaalsContact O-N 3.11Å; D608-S612 PolarHBondContact O-N 3.36Å
609	L	92.2	Very high	90.2	Very high	33 Å²	33	49.9 Å²	49.9	17%	0.173	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-38.8	176.5	-69.7	166.8	0	0	0	112.5	K605 L606 I607 H611 S612 G613 D614 Q617 A618 A621	K605-L609 HydrophobicContact CG-CD1 4.11Å; K605-L609 WeakPolarHBondContact O-CD1 3.47Å; K605-L609 VanDerWaalsContact O-CG 3.26Å; K605-L609 WeakPolarHBondContact O-CG 3.36Å; K605-L609 PolarHBondContact O-N 3.45Å; K605-L609 VanDerWaalsContact O-N 3.11Å; L606-L609 PolarHBondContact O-N 3.21Å; I607-L609 PolarHBondContact O-N 3.26Å; L609-H611 VanDerWaalsContact C-N 3.27Å; L609-H611 PolarHBondContact O-N 3.45Å; L609-S612 WeakPolarHBondContact CA-OG 3.29Å; L609-S612 PolarHBondContact O-N 2.8Å; L609-S612 PolarHBondContact O-OG 3.42Å; L609-G613 PolarHBondContact O-N 3.11Å; L609-D614 HydrophobicContact CD2-CB 4.25Å; L609-D614 PolarHBondContact O-N 2.96Å; L609-Q617 HydrophobicContact CD1-CB 3.98Å; L609-Q617 HydrophobicContact CD2-CB 3.87Å; L609-Q617 HydrophobicContact CG-CB 4.48Å; L609-A618 HydrophobicContact CB-CB 4.05Å; L609-A621 HydrophobicContact CD1-CB 3.8Å
610	L	86.4	Confident	90	Very high	20 Å²	20	52.8 Å²	52.8	11%	0.105	28%	0.283	C	S	.	.	H	α-helix	trans	-68.7	-25.1	173.8	-71	172.8	0	0	0	112.7	A323 F324 K328 F382 L606 I607 D608 A618	A323-L610 HydrophobicContact CB-CD1 4.43Å; A323-L610 HydrophobicContact CB-CD2 4.04Å; F324-L610 HydrophobicContact CB-CD2 4.4Å; K328-L610 HydrophobicContact CD-CB 4.32Å; K328-L610 HydrophobicContact CG-CD1 4.18Å; K328-L610 PolarHBondContact NZ-O 3.19Å; F382-L610 HydrophobicContact CZ-CD1 3.97Å; L606-L610 HydrophobicContact CD1-CD1 4.19Å; L606-L610 HydrophobicContact CD1-CG 4.27Å; L606-L610 HydrophobicContact CG-CD1 4.08Å; L606-L610 WeakPolarHBondContact O-CG 3.49Å; L606-L610 PolarHBondContact O-N 3.48Å; I607-L610 PolarHBondContact O-N 3.02Å; D608-L610 PolarHBondContact O-N 3.39Å; L610-A618 HydrophobicContact CD2-CB 3.73Å; L610-A618 HydrophobicContact CG-CB 3.98Å
611	H	85.4	Confident	89.8	Confident	104 Å²	104	52.2 Å²	52.2	48%	0.481	28%	0.282	S	S	.	.	H	α-helix	trans	-78.2	-35.9	171.9	-72.2	133.8	0	0	0	112.3	K328 I607 D608 L609 G613	K328-H611 PolarHBondContact NZ-CD2 2.74Å; K328-H611 PolarHBondContact NZ-NE2 2.92Å; I607-H611 WeakPolarHBondContact CG2-CE1 3.42Å; I607-H611 PolarHBondContact O-N 2.9Å; I607-H611 PolarHBondContact O-ND1 3.39Å; I607-H611 VanDerWaalsContact O-ND1 3.11Å; D608-H611 WeakPolarHBondContact O-CB 3.34Å; D608-H611 PolarHBondContact O-N 3.39Å; D608-H611 VanDerWaalsContact O-N 3.11Å; L609-H611 VanDerWaalsContact C-N 3.27Å; L609-H611 PolarHBondContact O-N 3.45Å; H611-G613 PolarHBondContact O-N 3.49Å
612	S	87.7	Confident	89.6	Confident	87 Å²	87	50.7 Å²	50.7	61%	0.608	27%	0.272	S	S	*	.	H	α-helix	trans	-76.2	-9.9	174.9	68.2	0	0	0	0	113.7	D608 L609	D608-S612 PolarHBondContact O-N 3.36Å; L609-S612 WeakPolarHBondContact CA-OG 3.29Å; L609-S612 PolarHBondContact O-N 2.8Å; L609-S612 PolarHBondContact O-OG 3.42Å
613	G	81.7	Confident	89.2	Confident	54 Å²	54	56.2 Å²	56.2	56%	0.557	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	11.4	180	0	0	0	0	0	114.4	L609 H611 V615	L609-G613 PolarHBondContact O-N 3.11Å; H611-G613 PolarHBondContact O-N 3.49Å; G613-V615 PolarHBondContact O-N 3.45Å; G613-V615 VanDerWaalsContact O-N 3.08Å
614	D	87.2	Confident	89	Confident	64 Å²	64	60.3 Å²	60.3	34%	0.342	31%	0.314	S	S	.	.			trans	-83.7	81.7	178.6	-168.3	-21.5	0	0	0	110.5	L609 E616 Q617 A618	L609-D614 HydrophobicContact CD2-CB 4.25Å; L609-D614 PolarHBondContact O-N 2.96Å; D614-E616 VanDerWaalsContact C-N 3.32Å; D614-E616 PolarHBondContact O-N 2.86Å; D614-Q617 HydrophobicContact CB-CB 4.41Å; D614-Q617 WeakPolarHBondContact OD1-CB 3.21Å; D614-Q617 WeakPolarHBondContact OD1-CG 3.48Å; D614-Q617 PolarHBondContact OD1-N 2.99Å; D614-Q617 WeakPolarHBondContact OD2-CG 3.39Å; D614-A618 WeakPolarHBondContact O-CB 3.41Å; D614-A618 PolarHBondContact O-N 3.41Å
615	V	82.3	Confident	88.8	Confident	62 Å²	62	57 Å²	57	38%	0.376	30%	0.3	S	S	.	.	H	α-helix	trans	-66.1	-34.4	-175.3	-179	0	0	0	0	112.1	F324 G613 A618 D619	F324-V615 HydrophobicContact CB-CG1 4.23Å; F324-V615 HydrophobicContact CB-CG2 4.5Å; F324-V615 HydrophobicContact CD1-CG1 3.74Å; F324-V615 HydrophobicContact CG-CG1 4.27Å; G613-V615 PolarHBondContact O-N 3.45Å; G613-V615 VanDerWaalsContact O-N 3.08Å; V615-A618 PolarHBondContact O-N 2.93Å; V615-D619 PolarHBondContact O-N 2.77Å
616	E	85.6	Confident	88.2	Confident	144 Å²	144	53 Å²	53	67%	0.673	28%	0.283	S	S	*	.	H	α-helix	trans	-69.3	-50	-178.4	-176.5	174.4	-170.3	0	0	111	D614 A618 D619 I620	D614-E616 VanDerWaalsContact C-N 3.32Å; D614-E616 PolarHBondContact O-N 2.86Å; E616-A618 VanDerWaalsContact C-N 3.28Å; E616-A618 PolarHBondContact O-N 3.48Å; E616-D619 PolarHBondContact O-N 3.36Å; E616-I620 HydrophobicContact CG-CD1 4.46Å; E616-I620 WeakPolarHBondContact O-CG1 3.43Å; E616-I620 PolarHBondContact O-N 3.14Å; E616-I620 VanDerWaalsContact O-N 3.11Å
617	Q	91.7	Very high	87.6	Confident	80 Å²	80	55.6 Å²	55.6	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-66.2	-33	175.7	-66.8	-60.6	-41.6	0	0	111.8	L609 D614 I620 A621	L609-Q617 HydrophobicContact CD1-CB 3.98Å; L609-Q617 HydrophobicContact CD2-CB 3.87Å; L609-Q617 HydrophobicContact CG-CB 4.48Å; D614-Q617 HydrophobicContact CB-CB 4.41Å; D614-Q617 WeakPolarHBondContact OD1-CB 3.21Å; D614-Q617 WeakPolarHBondContact OD1-CG 3.48Å; D614-Q617 PolarHBondContact OD1-N 2.99Å; D614-Q617 WeakPolarHBondContact OD2-CG 3.39Å; Q617-I620 PolarHBondContact O-N 3.27Å; Q617-A621 WeakPolarHBondContact O-CB 3.4Å; Q617-A621 PolarHBondContact O-N 3.44Å
618	A	89.3	Confident	86.7	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-45.6	173.4	0	0	0	0	0	111.7	A323 L606 L609 L610 D614 V615 E616 I620 A621 K622	A323-A618 HydrophobicContact CB-CB 4.1Å; L606-A618 HydrophobicContact CD1-CB 3.7Å; L606-A618 WeakPolarHBondContact CD1-O 3.08Å; L609-A618 HydrophobicContact CB-CB 4.05Å; L610-A618 HydrophobicContact CD2-CB 3.73Å; L610-A618 HydrophobicContact CG-CB 3.98Å; D614-A618 WeakPolarHBondContact O-CB 3.41Å; D614-A618 PolarHBondContact O-N 3.41Å; V615-A618 PolarHBondContact O-N 2.93Å; E616-A618 VanDerWaalsContact C-N 3.28Å; E616-A618 PolarHBondContact O-N 3.48Å; A618-I620 VanDerWaalsContact C-N 3.31Å; A618-I620 PolarHBondContact O-N 2.91Å; A618-A621 PolarHBondContact O-N 2.98Å; A618-K622 WeakPolarHBondContact O-CB 3.48Å; A618-K622 PolarHBondContact O-N 3.43Å
619	D	86	Confident	85.5	Confident	42 Å²	42	56.4 Å²	56.4	23%	0.225	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-34.8	176.9	-84.4	-14.4	0	0	0	112.5	A323 V615 E616 K623	A323-D619 VanDerWaalsContact CB-OD1 3.32Å; A323-D619 WeakPolarHBondContact CB-OD1 3.43Å; A323-D619 PolarHBondContact N-OD1 2.83Å; V615-D619 PolarHBondContact O-N 2.77Å; E616-D619 PolarHBondContact O-N 3.36Å; D619-K623 WeakPolarHBondContact O-CG 3.44Å; D619-K623 PolarHBondContact O-N 2.89Å
620	I	90.4	Very high	84.1	Confident	62 Å²	62	62.9 Å²	62.9	32%	0.318	33%	0.334	S	S	.	.	H	α-helix	trans	-65.6	-53.3	173.1	-66.3	167.6	0	0	0	110.2	E616 Q617 A618 K622 K623 E624	E616-I620 HydrophobicContact CG-CD1 4.46Å; E616-I620 WeakPolarHBondContact O-CG1 3.43Å; E616-I620 PolarHBondContact O-N 3.14Å; E616-I620 VanDerWaalsContact O-N 3.11Å; Q617-I620 PolarHBondContact O-N 3.27Å; A618-I620 VanDerWaalsContact C-N 3.31Å; A618-I620 PolarHBondContact O-N 2.91Å; I620-K622 VanDerWaalsContact C-N 3.27Å; I620-K622 PolarHBondContact O-N 2.67Å; I620-K623 PolarHBondContact O-N 3.37Å; I620-E624 HydrophobicContact CG2-CG 4.28Å; I620-E624 WeakPolarHBondContact O-CG 3.25Å; I620-E624 PolarHBondContact O-N 3.06Å
621	A	92.2	Very high	82.6	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.008	35%	0.354	C	S	.	.	H	α-helix	trans	-58.4	-39	-179.9	0	0	0	0	0	112	K605 L609 Q617 A618 E624 I625	K605-A621 HydrophobicContact CD-CB 4.2Å; K605-A621 HydrophobicContact CG-CB 4.36Å; L609-A621 HydrophobicContact CD1-CB 3.8Å; Q617-A621 WeakPolarHBondContact O-CB 3.4Å; Q617-A621 PolarHBondContact O-N 3.44Å; A618-A621 PolarHBondContact O-N 2.98Å; A621-E624 PolarHBondContact O-N 3.22Å; A621-I625 WeakPolarHBondContact O-CD1 3.48Å; A621-I625 VanDerWaalsContact O-CG1 3.28Å; A621-I625 WeakPolarHBondContact O-CG1 3.2Å; A621-I625 PolarHBondContact O-N 2.88Å
622	K	90	Very high	81	Confident	10 Å²	10	66.5 Å²	66.5	4%	0.043	36%	0.362	C	S	.	.	H	α-helix	trans	-60.9	-46.4	174.8	-175.5	174.3	178.8	177.5	0	111.7	L321 A323 S326 W603 L606 A618 I620 I625 E626	L321-K622 PolarHBondContact O-NZ 3.14Å; A323-K622 HydrophobicContact CB-CB 4.46Å; A323-K622 HydrophobicContact CB-CD 4Å; S326-K622 PolarHBondContact OG-NZ 3.44Å; W603-K622 HydrophobicContact CZ3-CG 4.4Å; L606-K622 HydrophobicContact CD1-CB 4.09Å; L606-K622 HydrophobicContact CD2-CB 3.87Å; L606-K622 HydrophobicContact CD2-CD 4.38Å; L606-K622 HydrophobicContact CD2-CG 4.07Å; A618-K622 WeakPolarHBondContact O-CB 3.48Å; A618-K622 PolarHBondContact O-N 3.43Å; I620-K622 VanDerWaalsContact C-N 3.27Å; I620-K622 PolarHBondContact O-N 2.67Å; K622-I625 PolarHBondContact O-N 3.14Å; K622-E626 WeakPolarHBondContact CE-OE1 3.33Å; K622-E626 WeakPolarHBondContact O-CB 3.44Å; K622-E626 WeakPolarHBondContact O-CG 3.48Å; K622-E626 PolarHBondContact O-N 2.94Å
623	K	87.4	Confident	79.1	Confident	131 Å²	131	71.1 Å²	71.1	57%	0.57	37%	0.372	S	S	*	.	H	α-helix	trans	-65.4	-39.1	177.1	-70.9	170.4	-173.4	168.6	0	112.2	D619 I620 E626 A627	D619-K623 WeakPolarHBondContact O-CG 3.44Å; D619-K623 PolarHBondContact O-N 2.89Å; I620-K623 PolarHBondContact O-N 3.37Å; K623-E626 PolarHBondContact O-N 3.31Å; K623-A627 WeakPolarHBondContact O-CB 3.37Å; K623-A627 PolarHBondContact O-N 3.23Å
624	E	89.5	Confident	77.7	Confident	88 Å²	88	73 Å²	73	41%	0.411	37%	0.366	S	S	.	.	H	α-helix	trans	-59.6	-48.3	175.6	-72.4	174.1	168.5	0	0	111.1	K605 I620 A621 A627 S628	K605-E624 IonicContact NZ-OE2 2.61Å; K605-E624 PolarHBondContact NZ-OE2 3.28Å; I620-E624 HydrophobicContact CG2-CG 4.28Å; I620-E624 WeakPolarHBondContact O-CG 3.25Å; I620-E624 PolarHBondContact O-N 3.06Å; A621-E624 PolarHBondContact O-N 3.22Å; E624-A627 PolarHBondContact O-N 2.89Å; E624-S628 WeakPolarHBondContact O-CB 3.28Å; E624-S628 PolarHBondContact O-N 3.42Å; E624-S628 PolarHBondContact O-OG 3.38Å
625	I	89.8	Confident	76.1	Confident	19 Å²	19	75.8 Å²	75.8	10%	0.097	39%	0.391	C	S	.	.	H	α-helix	trans	-61.7	-53.2	176.3	-66.5	162.9	0	0	0	109.6	V385 V602 W603 L606 A621 K622 A627 S628 F629	V385-I625 HydrophobicContact CG1-CG2 3.83Å; V602-I625 HydrophobicContact CG1-CG2 3.82Å; V602-I625 WeakPolarHBondContact O-CD1 3.37Å; W603-I625 HydrophobicContact CE3-CD1 3.8Å; W603-I625 HydrophobicContact CE3-CG2 4.08Å; W603-I625 HydrophobicContact CH2-CB 4.39Å; W603-I625 HydrophobicContact CH2-CG2 3.62Å; W603-I625 HydrophobicContact CZ2-CG2 4.05Å; W603-I625 HydrophobicContact CZ3-CB 4.05Å; W603-I625 HydrophobicContact CZ3-CD1 4.02Å; W603-I625 HydrophobicContact CZ3-CG2 3.64Å; L606-I625 HydrophobicContact CB-CD1 4.27Å; A621-I625 WeakPolarHBondContact O-CD1 3.48Å; A621-I625 VanDerWaalsContact O-CG1 3.28Å; A621-I625 WeakPolarHBondContact O-CG1 3.2Å; A621-I625 PolarHBondContact O-N 2.88Å; K622-I625 PolarHBondContact O-N 3.14Å; I625-A627 PolarHBondContact O-N 2.74Å; I625-A627 VanDerWaalsContact O-N 3.08Å; I625-S628 PolarHBondContact O-N 2.96Å; I625-F629 HydrophobicContact CG2-CD2 4.31Å; I625-F629 HydrophobicContact CG2-CE2 4.22Å; I625-F629 VanDerWaalsContact O-CD2 3.27Å; I625-F629 WeakPolarHBondContact O-CD2 3.33Å
626	E	82.7	Confident	75.1	Confident	28 Å²	28	77.9 Å²	77.9	13%	0.131	40%	0.397	C	S	.	.	H	α-helix	trans	-62.2	-19.9	-179.4	-71.7	179.1	176	0	0	114.1	S320 W603 K622 K623 R630	S320-E626 WeakPolarHBondContact CB-OE2 3.49Å; W603-E626 HydrophobicContact CH2-CG 4.28Å; K622-E626 WeakPolarHBondContact CE-OE1 3.33Å; K622-E626 WeakPolarHBondContact O-CB 3.44Å; K622-E626 WeakPolarHBondContact O-CG 3.48Å; K622-E626 PolarHBondContact O-N 2.94Å; K623-E626 PolarHBondContact O-N 3.31Å; E626-R630 WeakPolarHBondContact O-CG 3.3Å; E626-R630 PolarHBondContact O-NE 3.32Å
627	A	79.9	Confident	74.2	Confident	54 Å²	54	72.8 Å²	72.8	45%	0.446	38%	0.376	S	S	.	.	H	α-helix	trans	-90.2	-40.7	175.2	0	0	0	0	0	113	K623 E624 I625 F629 R630	K623-A627 WeakPolarHBondContact O-CB 3.37Å; K623-A627 PolarHBondContact O-N 3.23Å; E624-A627 PolarHBondContact O-N 2.89Å; I625-A627 PolarHBondContact O-N 2.74Å; I625-A627 VanDerWaalsContact O-N 3.08Å; A627-F629 PolarHBondContact O-N 3Å; A627-F629 VanDerWaalsContact O-N 3.14Å; A627-R630 PolarHBondContact O-N 3.36Å; A627-R630 VanDerWaalsContact O-N 3.12Å
628	S	71.7	Confident	73.5	Confident	62 Å²	62	78.6 Å²	78.6	43%	0.434	40%	0.4	S	S	.	.	H	α-helix	trans	-61.9	-24.8	-173.5	-61.8	0	0	0	0	113.5	E624 I625 Q634	E624-S628 WeakPolarHBondContact O-CB 3.28Å; E624-S628 PolarHBondContact O-N 3.42Å; E624-S628 PolarHBondContact O-OG 3.38Å; I625-S628 PolarHBondContact O-N 2.96Å; S628-Q634 PolarHBondContact O-NE2 3.06Å
629	F	67.5	Low	73.4	Confident	39 Å²	39	80.4 Å²	80.4	17%	0.171	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	16.2	-178.1	-63.3	-80.3	0	0	0	113.7	V385 L597 V602 I625 A627 D631	V385-F629 HydrophobicContact CB-CB 3.53Å; V385-F629 HydrophobicContact CB-CD1 4.36Å; V385-F629 HydrophobicContact CB-CD2 3.66Å; V385-F629 HydrophobicContact CB-CE2 4.47Å; V385-F629 HydrophobicContact CB-CG 3.59Å; V385-F629 HydrophobicContact CG1-CB 4.02Å; V385-F629 HydrophobicContact CG1-CD2 3.64Å; V385-F629 HydrophobicContact CG1-CE2 4.43Å; V385-F629 HydrophobicContact CG1-CG 4.06Å; V385-F629 HydrophobicContact CG2-CB 4.13Å; V385-F629 HydrophobicContact CG2-CD1 4.01Å; V385-F629 HydrophobicContact CG2-CD2 3.6Å; V385-F629 HydrophobicContact CG2-CE1 4.33Å; V385-F629 HydrophobicContact CG2-CE2 3.94Å; V385-F629 HydrophobicContact CG2-CG 3.64Å; V385-F629 HydrophobicContact CG2-CZ 4.29Å; L597-F629 HydrophobicContact CD2-CD1 4.44Å; L597-F629 HydrophobicContact CD2-CE1 3.49Å; L597-F629 VanDerWaalsContact CD2-CE1 3.49Å; L597-F629 HydrophobicContact CD2-CZ 4.04Å; V602-F629 HydrophobicContact CG1-CE2 4.33Å; I625-F629 HydrophobicContact CG2-CD2 4.31Å; I625-F629 HydrophobicContact CG2-CE2 4.22Å; I625-F629 VanDerWaalsContact O-CD2 3.27Å; I625-F629 WeakPolarHBondContact O-CD2 3.33Å; A627-F629 PolarHBondContact O-N 3Å; A627-F629 VanDerWaalsContact O-N 3.14Å; F629-D631 VanDerWaalsContact C-N 3.32Å
630	R	62.5	Low	73.6	Confident	169 Å²	169	81.1 Å²	81.1	64%	0.638	41%	0.412	S	S	*	.	S	Bend	trans	-81.2	-18.1	166.4	-66.3	-177.6	-175	-174.3	-1	112.3	E626 A627 P632	E626-R630 WeakPolarHBondContact O-CG 3.3Å; E626-R630 PolarHBondContact O-NE 3.32Å; A627-R630 PolarHBondContact O-N 3.36Å; A627-R630 VanDerWaalsContact O-N 3.12Å; R630-P632 WeakPolarHBondContact O-CD 3.31Å
631	D	55.2	Low	73.6	Confident	98 Å²	98	78.6 Å²	78.6	52%	0.524	40%	0.399	S	S	.	.			trans	-91.2	113.1	-176.2	-153.5	-7	0	0	0	110.4	F629 F633	F629-D631 VanDerWaalsContact C-N 3.32Å; D631-F633 PolarHBondContact O-N 2.99Å; D631-F633 VanDerWaalsContact O-N 3.1Å; D631-F633 WeakPolarHBondContact OD1-CD2 3.48Å
632	P	51.6	Low	73.4	Confident	102 Å²	102	82.2 Å²	82.2	66%	0.662	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-5.4	-174.1	26.2	-34.8	0	0	0	114.6	R630 Q634	R630-P632 WeakPolarHBondContact O-CD 3.31Å; P632-Q634 VanDerWaalsContact C-N 3.32Å; P632-Q634 PolarHBondContact O-N 3.2Å
633	F	46.9	Very low	73.2	Confident	184 Å²	184	86.9 Å²	86.9	81%	0.807	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	1.7	-173	-72.3	-75	0	0	0	115.8	D631 S635	D631-F633 PolarHBondContact O-N 2.99Å; D631-F633 VanDerWaalsContact O-N 3.1Å; D631-F633 WeakPolarHBondContact OD1-CD2 3.48Å; F633-S635 PolarHBondContact O-N 3.46Å
634	Q	53.5	Low	73	Confident	93 Å²	93	84.1 Å²	84.1	44%	0.435	43%	0.432	S	S	.	.	S	Bend	trans	-71.6	131	170.9	-66.9	-172.1	8.7	0	0	109.6	S628 P632 Q636	S628-Q634 PolarHBondContact O-NE2 3.06Å; P632-Q634 VanDerWaalsContact C-N 3.32Å; P632-Q634 PolarHBondContact O-N 3.2Å; Q634-Q636 VanDerWaalsContact C-N 3.27Å; Q634-Q636 PolarHBondContact O-N 3.48Å
635	S	52.7	Low	72.5	Confident	124 Å²	124	83 Å²	83	87%	0.867	43%	0.429	S	S	*	.			trans	-59.6	90.6	170.7	55.4	0	0	0	0	109	F633	F633-S635 PolarHBondContact O-N 3.46Å
636	Q	61.7	Low	71.6	Confident	106 Å²	106	88.2 Å²	88.2	50%	0.495	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-67.3	139	178.4	-70.7	-176.3	-12.9	0	0	108.4	Q634	Q634-Q636 VanDerWaalsContact C-N 3.27Å; Q634-Q636 PolarHBondContact O-N 3.48Å
637	P	65.7	Low	70.9	Confident	37 Å²	37	89.8 Å²	89.8	24%	0.24	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-54.7	154	167.4	28.4	-35.4	0	0	0	108.8	L597 S639	L597-P637 HydrophobicContact CD1-CG 3.83Å; P637-S639 PolarHBondContact O-N 3.07Å
638	K	77.6	Confident	70.8	Confident	202 Å²	202	87.9 Å²	87.9	88%	0.878	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-58.8	117.6	173.4	-73.7	-173.7	177.8	-175.3	0	108.7
639	S	87.1	Confident	71.5	Confident	38 Å²	38	85.5 Å²	85.5	27%	0.266	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-52.8	143.1	176.1	-176.1	0	0	0	0	110.9	E420 M422 P637 F641	E420-S639 WeakPolarHBondContact OE1-CB 3.3Å; E420-S639 PolarHBondContact OE1-OG 3Å; E420-S639 PolarHBondContact OE2-OG 3.01Å; M422-S639 WeakPolarHBondContact CE-OG 3.29Å; P637-S639 PolarHBondContact O-N 3.07Å; S639-F641 PolarHBondContact OG-N 2.99Å; S639-F641 VanDerWaalsContact OG-N 3.07Å; S639-F641 PolarHBondContact OG-O 2.83Å; S639-F641 VanDerWaalsContact OG-O 3.09Å
640	R	89.2	Confident	72.3	Confident	56 Å²	56	87.2 Å²	87.2	21%	0.211	44%	0.438	C	S	.	.	S	Bend	trans	-84.2	0.4	170.3	-68.2	-166.7	174.6	-132.3	-2.4	112.5	E420 Y651 I652 D653	E420-R640 PolarHBondContact OE2-N 3.06Å; R640-Y651 HydrophobicContact CB-CD2 4.13Å; R640-Y651 HydrophobicContact CB-CE2 3.67Å; R640-Y651 HydrophobicContact CG-CE2 4.44Å; R640-Y651 PolarHBondContact NH1-OH 3.27Å; R640-Y651 WeakPolarHBondContact O-CA 3.41Å; R640-Y651 WeakPolarHBondContact O-CD2 3.33Å; R640-I652 HydrophobicContact CB-CD1 4.28Å; R640-I652 HydrophobicContact CB-CG1 4.22Å; R640-I652 HydrophobicContact CG-CD1 4.14Å; R640-I652 WeakPolarHBondContact O-CG1 3.49Å; R640-I652 WeakPolarHBondContact O-CG2 3.26Å; R640-I652 PolarHBondContact O-N 3.03Å; R640-D653 IonicContact NH1-OD2 3.72Å
641	F	90.8	Very high	73.6	Confident	9 Å²	9	79.4 Å²	79.4	4%	0.039	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.6	177.9	-68.1	-88	0	0	0	110.7	H418 E420 M422 A430 F432 S639 R650 Y651	H418-F641 HydrophobicContact CB-CZ 4.47Å; E420-F641 HydrophobicContact CB-CD2 3.7Å; E420-F641 HydrophobicContact CB-CE2 3.85Å; M422-F641 HydrophobicContact CE-CB 3.84Å; M422-F641 HydrophobicContact SD-CB 3.75Å; M422-F641 HydrophobicContact SD-CD2 4.27Å; M422-F641 HydrophobicContact SD-CG 4.29Å; A430-F641 HydrophobicContact CB-CB 4.34Å; A430-F641 HydrophobicContact CB-CD1 3.66Å; A430-F641 HydrophobicContact CB-CD2 4.13Å; A430-F641 HydrophobicContact CB-CE1 3.87Å; A430-F641 HydrophobicContact CB-CE2 4.32Å; A430-F641 HydrophobicContact CB-CG 3.78Å; A430-F641 HydrophobicContact CB-CZ 4.2Å; F432-F641 HydrophobicContact CB-CE1 3.79Å; F432-F641 HydrophobicContact CB-CZ 3.82Å; S639-F641 PolarHBondContact OG-N 2.99Å; S639-F641 VanDerWaalsContact OG-N 3.07Å; S639-F641 PolarHBondContact OG-O 2.83Å; S639-F641 VanDerWaalsContact OG-O 3.09Å; F641-R650 CarbonylContact C-O 3.49Å; F641-R650 WeakPolarHBondContact CA-O 3.32Å; F641-R650 VanDerWaalsContact CA-O 3.29Å; F641-Y651 HydrophobicContact CD1-CD2 4.38Å; F641-Y651 AromaticContact CE1-CD2 3.95Å; F641-Y651 HydrophobicContact CE1-CD2 3.95Å; F641-Y651 HydrophobicContact CE1-CG 4.48Å; F641-Y651 HydrophobicContact CE2-CD2 4.16Å; F641-Y651 AromaticContact CZ-CD2 3.83Å; F641-Y651 HydrophobicContact CZ-CD2 3.83Å
642	V	88.7	Confident	75.1	Confident	77 Å²	77	78.8 Å²	78.8	47%	0.467	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.3	172	-179.5	0	0	0	0	108	I644 Y649 R650 I652	V642-I644 PolarHBondContact O-N 3.02Å; V642-Y649 CarbonylContact O-C 3.56Å; V642-Y649 WeakPolarHBondContact O-CA 3.36Å; V642-R650 PolarHBondContact N-O 2.98Å; V642-R650 PolarHBondContact O-N 2.61Å; V642-I652 HydrophobicContact CG2-CG2 3.77Å
643	K	86	Confident	76.5	Confident	109 Å²	109	77.3 Å²	77.3	47%	0.474	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	118.2	174.1	-172.2	-179.9	177.3	-170.5	0	109	N645 D646 Y649	K643-N645 WeakPolarHBondContact CE-O 3.05Å; K643-N645 WeakPolarHBondContact CG-O 3.32Å; K643-D646 PolarHBondContact NZ-OD1 3.49Å; K643-D646 IonicContact NZ-OD1 2.69Å; K643-Y649 HydrophobicContact CB-CD1 3.88Å; K643-Y649 HydrophobicContact CB-CE1 3.74Å; K643-Y649 HydrophobicContact CD-CE1 4.19Å; K643-Y649 HydrophobicContact CG-CD1 4.18Å; K643-Y649 HydrophobicContact CG-CE1 3.73Å
644	I	82.4	Confident	77.9	Confident	72 Å²	72	69.1 Å²	69.1	37%	0.369	36%	0.356	S	S	.	.			trans	-89	-46	175.8	-58.8	-60.1	0	0	0	109.9	V642 T648 R650	V642-I644 PolarHBondContact O-N 3.02Å; I644-T648 HydrophobicContact CB-CG2 4.36Å; I644-T648 PolarHBondContact N-O 3.36Å; I644-R650 HydrophobicContact CG1-CB 3.81Å; I644-R650 HydrophobicContact CD1-CB 3.86Å
645	N	79.8	Confident	78.8	Confident	65 Å²	65	67 Å²	67	35%	0.348	35%	0.349	S	S	.	.	S	Bend	trans	-148.1	-171.8	175.5	63.6	47.7	0	0	0	109.8	K643 T647 T648	K643-N645 WeakPolarHBondContact CE-O 3.05Å; K643-N645 WeakPolarHBondContact CG-O 3.32Å; N645-T647 PolarHBondContact O-N 2.83Å; N645-T647 VanDerWaalsContact O-N 3.17Å; N645-T647 PolarHBondContact OD1-N 3.11Å; N645-T647 PolarHBondContact OD1-OG1 3.34Å; N645-T648 VanDerWaalsContact OD1-OG1 3.09Å; N645-T648 PolarHBondContact OD1-OG1 3.48Å; N645-T648 PolarHBondContact OD1-N 3.42Å; N645-T648 WeakPolarHBondContact OD1-CB 3.19Å; N645-T648 PolarHBondContact ND2-OG1 3.31Å; N645-T648 WeakPolarHBondContact ND2-CB 3.32Å; N645-T648 PolarHBondContact N-O 3Å; N645-T648 VanDerWaalsContact OD1-CB 3.23Å
646	D	71	Confident	79.7	Confident	129 Å²	129	67.7 Å²	67.7	69%	0.69	34%	0.343	S	S	*	.	S	Bend	trans	-62.3	-23	-174.8	-76	-27.3	0	0	0	115.2	K643	K643-D646 PolarHBondContact NZ-OD1 3.49Å; K643-D646 IonicContact NZ-OD1 2.69Å
647	T	68.5	Low	80.1	Confident	61 Å²	61	67.1 Å²	67.1	37%	0.374	34%	0.344	S	S	.	.	S	Bend	trans	-120.3	-11.7	-177.5	58.9	0	0	0	0	113.6	S445 E464 N645	S445-T647 WeakPolarHBondContact CB-O 3.28Å; S445-T647 PolarHBondContact OG-O 3.11Å; E464-T647 VanDerWaalsContact OE2-CB 3.25Å; E464-T647 WeakPolarHBondContact OE2-CB 3.35Å; E464-T647 PolarHBondContact OE2-OG1 3.26Å; N645-T647 PolarHBondContact O-N 2.83Å; N645-T647 VanDerWaalsContact O-N 3.17Å; N645-T647 PolarHBondContact OD1-N 3.11Å; N645-T647 PolarHBondContact OD1-OG1 3.34Å
648	T	76.3	Confident	80.4	Confident	13 Å²	13	65.5 Å²	65.5	8%	0.08	33%	0.333	C	S	.	.			trans	-115.8	131.4	-173.2	-53.1	0	0	0	0	111.7	I644 N645	I644-T648 HydrophobicContact CB-CG2 4.36Å; I644-T648 PolarHBondContact N-O 3.36Å; N645-T648 VanDerWaalsContact OD1-OG1 3.09Å; N645-T648 PolarHBondContact OD1-OG1 3.48Å; N645-T648 PolarHBondContact OD1-N 3.42Å; N645-T648 WeakPolarHBondContact OD1-CB 3.19Å; N645-T648 PolarHBondContact ND2-OG1 3.31Å; N645-T648 WeakPolarHBondContact ND2-CB 3.32Å; N645-T648 PolarHBondContact N-O 3Å; N645-T648 VanDerWaalsContact OD1-CB 3.23Å
649	Y	86.2	Confident	80.2	Confident	13 Å²	13	56.7 Å²	56.7	5%	0.051	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.3	177.8	-62.4	-97.1	0	0	0	109.3	M422 V428 A430 V642 K643	M422-Y649 HydrophobicContact CB-CD1 4.21Å; M422-Y649 HydrophobicContact CB-CE1 3.55Å; M422-Y649 HydrophobicContact CE-CD1 3.81Å; M422-Y649 HydrophobicContact CE-CE1 3.89Å; M422-Y649 HydrophobicContact CG-CD1 3.74Å; M422-Y649 HydrophobicContact CG-CE1 3.62Å; M422-Y649 HydrophobicContact CG-CG 4.28Å; M422-Y649 HydrophobicContact SD-CD1 4.41Å; V428-Y649 HydrophobicContact CG1-CE2 3.62Å; A430-Y649 HydrophobicContact CB-CD2 4.22Å; A430-Y649 HydrophobicContact CB-CG 3.95Å; V642-Y649 CarbonylContact O-C 3.56Å; V642-Y649 WeakPolarHBondContact O-CA 3.36Å; K643-Y649 HydrophobicContact CB-CD1 3.88Å; K643-Y649 HydrophobicContact CB-CE1 3.74Å; K643-Y649 HydrophobicContact CD-CE1 4.19Å; K643-Y649 HydrophobicContact CG-CD1 4.18Å; K643-Y649 HydrophobicContact CG-CE1 3.73Å
650	R	85.5	Confident	79.6	Confident	74 Å²	74	55 Å²	55	28%	0.279	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.5	176.8	-174.5	-177.6	-89.1	161.9	-11.1	110.1	F641 V642 I644 D661	F641-R650 CarbonylContact C-O 3.49Å; F641-R650 WeakPolarHBondContact CA-O 3.32Å; F641-R650 VanDerWaalsContact CA-O 3.29Å; V642-R650 PolarHBondContact N-O 2.98Å; V642-R650 PolarHBondContact O-N 2.61Å; I644-R650 HydrophobicContact CG1-CB 3.81Å; I644-R650 HydrophobicContact CD1-CB 3.86Å; R650-D661 IonicContact NE-OD1 3.35Å; R650-D661 PolarHBondContact NH2-OD2 3.45Å; R650-D661 IonicContact NH2-OD2 2.76Å; R650-D661 IonicContact NH2-OD1 2.91Å; R650-D661 PolarHBondContact NE-OD2 3.01Å; R650-D661 IonicContact NE-OD2 3.61Å; R650-D661 PolarHBondContact NE-OD1 2.94Å; R650-D661 IonicContact CZ-OD2 3.54Å; R650-D661 IonicContact CZ-OD1 3.29Å; R650-D661 WeakPolarHBondContact CG-OD1 3.42Å; R650-D661 WeakPolarHBondContact CB-OD1 3.16Å; R650-D661 VanDerWaalsContact CB-OD1 3.26Å
651	Y	90.6	Very high	78.6	Confident	5 Å²	5	53.5 Å²	53.5	2%	0.02	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	132.8	170.4	-177.4	-95	0	0	0	110.6	H418 F432 R640 F641 D653 I654	H418-Y651 HydrophobicContact CB-CD2 4.41Å; H418-Y651 HydrophobicContact CB-CE2 3.84Å; H418-Y651 AromaticContact CG-CE2 3.81Å; F432-Y651 HydrophobicContact CB-CD2 3.9Å; F432-Y651 HydrophobicContact CB-CG 3.91Å; F432-Y651 AromaticContact CD1-CD1 3.48Å; F432-Y651 HydrophobicContact CD1-CD1 3.48Å; F432-Y651 VanDerWaalsContact CD1-CD1 3.48Å; F432-Y651 AromaticContact CD1-CD2 3.86Å; F432-Y651 HydrophobicContact CD1-CD2 3.86Å; F432-Y651 AromaticContact CD1-CE1 3.81Å; F432-Y651 HydrophobicContact CD1-CE1 3.81Å; F432-Y651 HydrophobicContact CD1-CE2 4.16Å; F432-Y651 AromaticContact CD1-CG 3.53Å; F432-Y651 HydrophobicContact CD1-CG 3.53Å; F432-Y651 HydrophobicContact CD2-CD1 4.48Å; F432-Y651 HydrophobicContact CD2-CG 4.25Å; F432-Y651 AromaticContact CE1-CD1 3.53Å; F432-Y651 HydrophobicContact CE1-CD1 3.53Å; F432-Y651 AromaticContact CE1-CE1 3.77Å; F432-Y651 HydrophobicContact CE1-CE1 3.77Å; F432-Y651 HydrophobicContact CE1-CG 4.06Å; F432-Y651 AromaticContact CG-CD1 3.97Å; F432-Y651 HydrophobicContact CG-CD1 3.97Å; F432-Y651 HydrophobicContact CG-CD2 4.03Å; F432-Y651 AromaticContact CG-CG 3.62Å; F432-Y651 HydrophobicContact CG-CG 3.62Å; F432-Y651 HydrophobicContact CZ-CD1 4.07Å; R640-Y651 HydrophobicContact CB-CD2 4.13Å; R640-Y651 HydrophobicContact CB-CE2 3.67Å; R640-Y651 HydrophobicContact CG-CE2 4.44Å; R640-Y651 PolarHBondContact NH1-OH 3.27Å; R640-Y651 WeakPolarHBondContact O-CA 3.41Å; R640-Y651 WeakPolarHBondContact O-CD2 3.33Å; F641-Y651 HydrophobicContact CD1-CD2 4.38Å; F641-Y651 AromaticContact CE1-CD2 3.95Å; F641-Y651 HydrophobicContact CE1-CD2 3.95Å; F641-Y651 HydrophobicContact CE1-CG 4.48Å; F641-Y651 HydrophobicContact CE2-CD2 4.16Å; F641-Y651 AromaticContact CZ-CD2 3.83Å; F641-Y651 HydrophobicContact CZ-CD2 3.83Å; Y651-D653 PolarHBondContact O-N 3Å; Y651-D653 PolarHBondContact OH-OD2 3.34Å; Y651-D653 WeakPolarHBondContact CE1-OD2 3.44Å; Y651-D653 HydrophobicContact CE1-CB 3.7Å; Y651-D653 HydrophobicContact CD1-CB 4.2Å; Y651-D653 VanDerWaalsContact C-N 3.31Å; Y651-D653 VanDerWaalsContact CE1-OD2 3.25Å; Y651-I654 HydrophobicContact CD1-CG1 4.15Å; Y651-I654 WeakPolarHBondContact O-CB 3.2Å; Y651-I654 WeakPolarHBondContact O-CG1 3.34Å; Y651-I654 PolarHBondContact O-N 3.48Å
652	I	86.4	Confident	77.1	Confident	85 Å²	85	59.2 Å²	59.2	44%	0.436	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.4	-165.7	56.8	168.9	0	0	0	115.4	R640 V642	R640-I652 HydrophobicContact CB-CD1 4.28Å; R640-I652 HydrophobicContact CB-CG1 4.22Å; R640-I652 HydrophobicContact CG-CD1 4.14Å; R640-I652 WeakPolarHBondContact O-CG1 3.49Å; R640-I652 WeakPolarHBondContact O-CG2 3.26Å; R640-I652 PolarHBondContact O-N 3.03Å; V642-I652 HydrophobicContact CG2-CG2 3.77Å
653	D	79.4	Confident	76.5	Confident	72 Å²	72	58.4 Å²	58.4	39%	0.385	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	10.4	-177.4	-47	-47.4	0	0	0	113.5	R438 R640 Y651	R438-D653 PolarHBondContact NH2-O 3.07Å; R640-D653 IonicContact NH1-OD2 3.72Å; Y651-D653 PolarHBondContact O-N 3Å; Y651-D653 PolarHBondContact OH-OD2 3.34Å; Y651-D653 WeakPolarHBondContact CE1-OD2 3.44Å; Y651-D653 HydrophobicContact CE1-CB 3.7Å; Y651-D653 HydrophobicContact CD1-CB 4.2Å; Y651-D653 VanDerWaalsContact C-N 3.31Å; Y651-D653 VanDerWaalsContact CE1-OD2 3.25Å
654	I	78.2	Confident	76	Confident	12 Å²	12	55.7 Å²	55.7	6%	0.062	29%	0.291	C	S	.	.	S	Bend	trans	-80	124.5	174.6	-60.6	175.5	0	0	0	108.5	F432 Y651 I658 L660	F432-I654 HydrophobicContact CD2-CD1 3.73Å; F432-I654 HydrophobicContact CD2-CG1 4.27Å; F432-I654 HydrophobicContact CE2-CD1 3.41Å; F432-I654 VanDerWaalsContact CE2-CD1 3.41Å; F432-I654 HydrophobicContact CE2-CG1 3.59Å; F432-I654 HydrophobicContact CZ-CD1 4.21Å; F432-I654 HydrophobicContact CZ-CG1 3.86Å; Y651-I654 HydrophobicContact CD1-CG1 4.15Å; Y651-I654 WeakPolarHBondContact O-CB 3.2Å; Y651-I654 WeakPolarHBondContact O-CG1 3.34Å; Y651-I654 PolarHBondContact O-N 3.48Å; I654-I658 HydrophobicContact CG2-CB 3.98Å; I654-I658 HydrophobicContact CG2-CD1 4.14Å; I654-I658 HydrophobicContact CG2-CG1 4.32Å; I654-L660 HydrophobicContact CD1-CD1 3.87Å; I654-L660 HydrophobicContact CG2-CD1 4.31Å
655	P	72.1	Confident	75.7	Confident	47 Å²	47	54.8 Å²	54.8	31%	0.305	29%	0.286	S	S	.	.			trans	-64	144.9	173.9	-20.1	33.6	0	0	0	112	R438 N657 I658	R438-P655 VanDerWaalsContact NH1-CD 3.33Å; P655-N657 VanDerWaalsContact CB-OD1 3.31Å; P655-N657 WeakPolarHBondContact CB-OD1 3.49Å; P655-N657 PolarHBondContact O-N 2.95Å; P655-I658 PolarHBondContact O-N 3.12Å; P655-I658 VanDerWaalsContact O-N 3.13Å
656	D	71.6	Confident	75.4	Confident	139 Å²	139	54.2 Å²	54.2	74%	0.743	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-14.1	-177	-67.7	-42.4	0	0	0	114.5	I658	D656-I658 VanDerWaalsContact C-N 3.3Å; D656-I658 PolarHBondContact O-N 3.44Å
657	N	69.7	Low	75.7	Confident	94 Å²	94	49.5 Å²	49.5	50%	0.503	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.1	178.6	74.5	-29.7	0	0	0	114	S484 P655	S484-N657 WeakPolarHBondContact CB-O 3.35Å; S484-N657 PolarHBondContact OG-O 3.11Å; P655-N657 VanDerWaalsContact CB-OD1 3.31Å; P655-N657 WeakPolarHBondContact CB-OD1 3.49Å; P655-N657 PolarHBondContact O-N 2.95Å
658	I	72.6	Confident	76.2	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.015	25%	0.249	C	C	.	.	S	Bend	trans	-99.1	113.8	176	-48	-172.9	0	0	0	108.4	L441 A468 Y486 I654 P655 D656 L660	L441-I658 HydrophobicContact CD1-CD1 4.07Å; L441-I658 HydrophobicContact CD1-CG2 4.4Å; L441-I658 HydrophobicContact CD2-CD1 3.81Å; A468-I658 HydrophobicContact CB-CG2 4.13Å; Y486-I658 HydrophobicContact CD1-CG2 4.31Å; Y486-I658 HydrophobicContact CD2-CG1 4.31Å; Y486-I658 HydrophobicContact CD2-CG2 4.31Å; Y486-I658 HydrophobicContact CE2-CD1 4.1Å; Y486-I658 HydrophobicContact CE2-CG1 3.9Å; Y486-I658 HydrophobicContact CG-CG2 4.18Å; I654-I658 HydrophobicContact CG2-CB 3.98Å; I654-I658 HydrophobicContact CG2-CD1 4.14Å; I654-I658 HydrophobicContact CG2-CG1 4.32Å; P655-I658 PolarHBondContact O-N 3.12Å; P655-I658 VanDerWaalsContact O-N 3.13Å; D656-I658 VanDerWaalsContact C-N 3.3Å; D656-I658 PolarHBondContact O-N 3.44Å; I658-L660 HydrophobicContact CG2-CD1 3.86Å; I658-L660 HydrophobicContact CG2-CG 3.83Å; I658-L660 PolarHBondContact O-N 3.42Å
659	P	73.5	Confident	76.2	Confident	17 Å²	17	51.3 Å²	51.3	11%	0.11	26%	0.261	C	S	.	.			trans	-80.5	64.2	-169.3	31.9	-34.6	0	0	0	111.3	S484 V488	S484-P659 VanDerWaalsContact CB-CD 3.46Å; S484-P659 VanDerWaalsContact OG-CD 3.23Å; S484-P659 WeakPolarHBondContact OG-CD 3.24Å; V488-P659 HydrophobicContact CG2-CG 3.85Å
660	L	73.7	Confident	75.4	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	28%	0.278	C	S	.	.			trans	-91.9	-12.8	-179.2	-76.3	174.8	0	0	0	113.2	L441 T443 K466 A468 V488 I654 I658	L441-L660 HydrophobicContact CB-CD1 4.45Å; T443-L660 HydrophobicContact CG2-CB 4.13Å; T443-L660 HydrophobicContact CG2-CD1 4.06Å; T443-L660 HydrophobicContact CG2-CD2 3.69Å; T443-L660 HydrophobicContact CG2-CG 4.16Å; K466-L660 HydrophobicContact CB-CD2 3.98Å; K466-L660 WeakPolarHBondContact CD-O 3.47Å; K466-L660 PolarHBondContact NZ-O 3.11Å; A468-L660 HydrophobicContact CB-CD2 3.76Å; A468-L660 HydrophobicContact CB-CG 4.35Å; V488-L660 HydrophobicContact CG1-CD2 4.43Å; I654-L660 HydrophobicContact CD1-CD1 3.87Å; I654-L660 HydrophobicContact CG2-CD1 4.31Å; I658-L660 HydrophobicContact CG2-CD1 3.86Å; I658-L660 HydrophobicContact CG2-CG 3.83Å; I658-L660 PolarHBondContact O-N 3.42Å
661	D	67.5	Low	74.6	Confident	23 Å²	23	52.6 Å²	52.6	12%	0.123	28%	0.278	C	S	.	.			trans	-96.8	-10.5	-170.7	-53.2	-80.9	0	0	0	114.3	R650	R650-D661 IonicContact NE-OD1 3.35Å; R650-D661 PolarHBondContact NH2-OD2 3.45Å; R650-D661 IonicContact NH2-OD2 2.76Å; R650-D661 IonicContact NH2-OD1 2.91Å; R650-D661 PolarHBondContact NE-OD2 3.01Å; R650-D661 IonicContact NE-OD2 3.61Å; R650-D661 PolarHBondContact NE-OD1 2.94Å; R650-D661 IonicContact CZ-OD2 3.54Å; R650-D661 IonicContact CZ-OD1 3.29Å; R650-D661 WeakPolarHBondContact CG-OD1 3.42Å; R650-D661 WeakPolarHBondContact CB-OD1 3.16Å; R650-D661 VanDerWaalsContact CB-OD1 3.26Å
662	E	59.6	Low	73.1	Confident	130 Å²	130	56.9 Å²	56.9	61%	0.607	30%	0.301	S	S	*	.			trans	-80.5	0	-176.6	-66.5	-173.8	172.1	0	0	116	K466	K466-E662 WeakPolarHBondContact CE-O 3.39Å; K466-E662 PolarHBondContact NZ-O 3.08Å

Retrieved 662 of 662 residues in 1519.6 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).