A0A5K4F410_SCHMA Loading...

Putative nachr subunit

AlphaFold DB , UniProt , Accession A0A5K4F410, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 626 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.1	Low	68.1	Low	241 Å²	241	134.3 Å²	134.3	100%	1.187	68%	0.684	S	S	*	*				0	29.6	0	-84.2	175.2	68.1	0	0	112.7
2	T	59.7	Low	69.2	Low	133 Å²	133	135 Å²	135	82%	0.816	68%	0.679	S	S	*	*			trans	-124.1	13.4	-170.1	43.6	0	0	0	0	114.2
3	L	53.5	Low	70.1	Confident	157 Å²	157	132.2 Å²	132.2	82%	0.822	67%	0.667	S	S	*	*			trans	-87.7	137.3	169.9	-82	104.1	0	0	0	109.8
4	D	66.6	Low	70.9	Confident	70 Å²	70	130.4 Å²	130.4	37%	0.374	66%	0.659	S	S	.	*			trans	111.4	-3.6	171.1	-62.4	-40.2	0	0	0	118.5	W6 K7 Y8	D4-W6 VanDerWaalsContact C-N 3.31Å; D4-W6 PolarHBondContact O-N 3.2Å; D4-K7 PolarHBondContact O-N 3.34Å; D4-K7 VanDerWaalsContact O-N 3.09Å; D4-K7 WeakPolarHBondContact OD1-CE 3.24Å; D4-K7 IonicContact OD1-NZ 3.51Å; D4-K7 PolarHBondContact OD1-NZ 3.43Å; D4-Y8 HydrophobicContact CB-CE2 4.12Å; D4-Y8 VanDerWaalsContact O-CD2 3.28Å; D4-Y8 WeakPolarHBondContact O-CD2 3.42Å
5	A	68.3	Low	71.5	Confident	81 Å²	81	126.7 Å²	126.7	67%	0.669	65%	0.646	S	S	*	*	H	α-helix	trans	-57.9	-34.8	-179.3	0	0	0	0	0	114.7	K7 S9	A5-K7 VanDerWaalsContact C-N 3.34Å; A5-K7 PolarHBondContact O-N 3.29Å; A5-S9 PolarHBondContact O-N 3.42Å
6	W	73.5	Confident	72.2	Confident	206 Å²	206	121.6 Å²	121.6	78%	0.78	62%	0.623	S	S	*	*	H	α-helix	trans	-70.2	-27.9	179.2	65.9	56.3	0	0	0	113.4	D4 S9 L10	D4-W6 VanDerWaalsContact C-N 3.31Å; D4-W6 PolarHBondContact O-N 3.2Å; W6-S9 PolarHBondContact O-N 3.06Å; W6-L10 PolarHBondContact O-N 2.91Å; W6-L10 VanDerWaalsContact O-N 3.12Å
7	K	73.8	Confident	72.8	Confident	116 Å²	116	118.8 Å²	118.8	50%	0.504	61%	0.613	S	S	.	*	H	α-helix	trans	-71.7	-40.2	-177.2	-69.2	-179.2	-174.1	152	0	110.4	D4 A5 L10 L11	D4-K7 PolarHBondContact O-N 3.34Å; D4-K7 VanDerWaalsContact O-N 3.09Å; D4-K7 WeakPolarHBondContact OD1-CE 3.24Å; D4-K7 IonicContact OD1-NZ 3.51Å; D4-K7 PolarHBondContact OD1-NZ 3.43Å; A5-K7 VanDerWaalsContact C-N 3.34Å; A5-K7 PolarHBondContact O-N 3.29Å; K7-L10 PolarHBondContact O-N 3.36Å; K7-L11 WeakPolarHBondContact O-CB 3.28Å; K7-L11 PolarHBondContact O-N 3.21Å
8	Y	73.5	Confident	73.4	Confident	176 Å²	176	119.9 Å²	119.9	69%	0.69	61%	0.613	S	S	*	*	H	α-helix	trans	-65.2	-38.7	175.3	-68.6	-75.7	0	0	0	112.2	D4 L11 F12	D4-Y8 HydrophobicContact CB-CE2 4.12Å; D4-Y8 VanDerWaalsContact O-CD2 3.28Å; D4-Y8 WeakPolarHBondContact O-CD2 3.42Å; Y8-L11 PolarHBondContact O-N 2.77Å; Y8-F12 WeakPolarHBondContact O-CB 3.29Å; Y8-F12 PolarHBondContact O-N 2.84Å
9	S	76.8	Confident	73.9	Confident	71 Å²	71	121.8 Å²	121.8	50%	0.497	61%	0.613	S	S	.	*	H	α-helix	trans	-64.9	-41.6	176.3	-171.3	0	0	0	0	112.2	A5 W6 F12 L13	A5-S9 PolarHBondContact O-N 3.42Å; W6-S9 PolarHBondContact O-N 3.06Å; S9-F12 PolarHBondContact O-N 3.24Å; S9-L13 WeakPolarHBondContact O-CG 3.22Å; S9-L13 PolarHBondContact O-N 3.16Å
10	L	76.8	Confident	74.3	Confident	114 Å²	114	120.7 Å²	120.7	60%	0.597	61%	0.608	S	S	*	*	H	α-helix	trans	-66.7	-42.5	176.5	-154.2	92.1	0	0	0	112.2	W6 K7 F12 L13 L14	W6-L10 PolarHBondContact O-N 2.91Å; W6-L10 VanDerWaalsContact O-N 3.12Å; K7-L10 PolarHBondContact O-N 3.36Å; L10-F12 VanDerWaalsContact C-N 3.35Å; L10-F12 PolarHBondContact O-N 3.28Å; L10-L13 PolarHBondContact O-N 2.75Å; L10-L14 HydrophobicContact CD2-CD1 4.36Å; L10-L14 WeakPolarHBondContact O-CB 3.4Å; L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 3.47Å
11	L	76.9	Confident	74.6	Confident	112 Å²	112	118.5 Å²	118.5	59%	0.586	60%	0.601	S	S	*	*	H	α-helix	trans	-62.9	-39.7	175.2	-110.8	139	0	0	0	111.8	K7 Y8 L14 T15	K7-L11 WeakPolarHBondContact O-CB 3.28Å; K7-L11 PolarHBondContact O-N 3.21Å; Y8-L11 PolarHBondContact O-N 2.77Å; L11-L14 PolarHBondContact O-N 2.84Å; L11-T15 WeakPolarHBondContact O-CB 3.3Å; L11-T15 VanDerWaalsContact O-CG2 3.28Å; L11-T15 WeakPolarHBondContact O-CG2 3.46Å; L11-T15 PolarHBondContact O-N 3.09Å; L11-T15 PolarHBondContact O-OG1 3.35Å
12	F	80.8	Confident	76.1	Confident	143 Å²	143	110.3 Å²	110.3	63%	0.627	56%	0.562	S	S	*	*	H	α-helix	trans	-65.6	-41.9	175.9	-165	-97.1	0	0	0	111.9	Y8 S9 L10 T15 T16	Y8-F12 WeakPolarHBondContact O-CB 3.29Å; Y8-F12 PolarHBondContact O-N 2.84Å; S9-F12 PolarHBondContact O-N 3.24Å; L10-F12 VanDerWaalsContact C-N 3.35Å; L10-F12 PolarHBondContact O-N 3.28Å; F12-T15 WeakPolarHBondContact CA-OG1 3.42Å; F12-T15 PolarHBondContact O-N 3.39Å; F12-T15 PolarHBondContact O-OG1 2.96Å; F12-T16 HydrophobicContact CD1-CG2 4.05Å; F12-T16 HydrophobicContact CE1-CG2 3.77Å; F12-T16 HydrophobicContact CZ-CG2 4.11Å; F12-T16 WeakPolarHBondContact O-CB 3.45Å; F12-T16 VanDerWaalsContact O-CG2 3.28Å; F12-T16 WeakPolarHBondContact O-CG2 3.39Å; F12-T16 PolarHBondContact O-N 3.04Å; F12-T16 PolarHBondContact O-OG1 2.84Å
13	L	80.5	Confident	77.1	Confident	99 Å²	99	106.7 Å²	106.7	52%	0.518	54%	0.537	S	S	.	.	H	α-helix	trans	-64.9	-38.9	174.4	-72.3	170.9	0	0	0	112.6	S9 L10 T16 T17	S9-L13 WeakPolarHBondContact O-CG 3.22Å; S9-L13 PolarHBondContact O-N 3.16Å; L10-L13 PolarHBondContact O-N 2.75Å; L13-T16 WeakPolarHBondContact CA-OG1 3.48Å; L13-T16 PolarHBondContact O-OG1 3.27Å; L13-T16 VanDerWaalsContact O-OG1 3.07Å; L13-T17 WeakPolarHBondContact O-CB 3.42Å; L13-T17 VanDerWaalsContact O-CG2 3.29Å; L13-T17 WeakPolarHBondContact O-CG2 3.46Å; L13-T17 PolarHBondContact O-N 3.14Å; L13-T17 PolarHBondContact O-OG1 3.36Å
14	L	81.3	Confident	78.3	Confident	106 Å²	106	102.6 Å²	102.6	56%	0.555	52%	0.521	S	S	*	.	H	α-helix	trans	-69.1	-41.8	176.5	-71.3	172.6	0	0	0	112.3	L10 L11 T17 F18	L10-L14 HydrophobicContact CD2-CD1 4.36Å; L10-L14 WeakPolarHBondContact O-CB 3.4Å; L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 3.47Å; L11-L14 PolarHBondContact O-N 2.84Å; L14-T17 WeakPolarHBondContact CA-OG1 3.28Å; L14-T17 PolarHBondContact O-OG1 3.2Å; L14-F18 WeakPolarHBondContact O-CB 3.42Å; L14-F18 PolarHBondContact O-N 3.3Å
15	T	80.6	Confident	78.8	Confident	76 Å²	76	102.7 Å²	102.7	47%	0.466	53%	0.532	S	S	.	.	H	α-helix	trans	-67.8	-38.6	176.9	54.6	0	0	0	0	112.4	L11 F12 Y19	L11-T15 WeakPolarHBondContact O-CB 3.3Å; L11-T15 VanDerWaalsContact O-CG2 3.28Å; L11-T15 WeakPolarHBondContact O-CG2 3.46Å; L11-T15 PolarHBondContact O-N 3.09Å; L11-T15 PolarHBondContact O-OG1 3.35Å; F12-T15 WeakPolarHBondContact CA-OG1 3.42Å; F12-T15 PolarHBondContact O-N 3.39Å; F12-T15 PolarHBondContact O-OG1 2.96Å; T15-Y19 WeakPolarHBondContact O-CB 3.3Å; T15-Y19 PolarHBondContact O-N 3.36Å
16	T	82.7	Confident	79.1	Confident	44 Å²	44	105.2 Å²	105.2	27%	0.27	53%	0.534	S	S	.	.	H	α-helix	trans	-70.9	-39.8	177.3	50.6	0	0	0	0	112.4	F12 L13 N20	F12-T16 HydrophobicContact CD1-CG2 4.05Å; F12-T16 HydrophobicContact CE1-CG2 3.77Å; F12-T16 HydrophobicContact CZ-CG2 4.11Å; F12-T16 WeakPolarHBondContact O-CB 3.45Å; F12-T16 VanDerWaalsContact O-CG2 3.28Å; F12-T16 WeakPolarHBondContact O-CG2 3.39Å; F12-T16 PolarHBondContact O-N 3.04Å; F12-T16 PolarHBondContact O-OG1 2.84Å; L13-T16 WeakPolarHBondContact CA-OG1 3.48Å; L13-T16 PolarHBondContact O-OG1 3.27Å; L13-T16 VanDerWaalsContact O-OG1 3.07Å; T16-N20 VanDerWaalsContact O-CB 3.28Å; T16-N20 WeakPolarHBondContact O-CB 3.47Å; T16-N20 PolarHBondContact O-N 2.82Å; T16-N20 PolarHBondContact O-ND2 3.42Å; T16-N20 VanDerWaalsContact O-ND2 3.16Å
17	T	81.7	Confident	79	Confident	75 Å²	75	103.4 Å²	103.4	46%	0.46	53%	0.531	S	S	.	.	H	α-helix	trans	-65.8	-42.6	172.8	49.2	0	0	0	0	111.5	L13 L14 N20 T21	L13-T17 WeakPolarHBondContact O-CB 3.42Å; L13-T17 VanDerWaalsContact O-CG2 3.29Å; L13-T17 WeakPolarHBondContact O-CG2 3.46Å; L13-T17 PolarHBondContact O-N 3.14Å; L13-T17 PolarHBondContact O-OG1 3.36Å; L14-T17 WeakPolarHBondContact CA-OG1 3.28Å; L14-T17 PolarHBondContact O-OG1 3.2Å; T17-N20 PolarHBondContact O-N 3.42Å; T17-T21 WeakPolarHBondContact O-CG2 3.38Å; T17-T21 PolarHBondContact O-N 3.05Å; T17-T21 PolarHBondContact O-OG1 3.03Å
18	F	83.4	Confident	78.6	Confident	139 Å²	139	106.6 Å²	106.6	61%	0.61	54%	0.541	S	S	*	.	H	α-helix	trans	-62.9	-44.6	175.6	-164.7	-105.8	0	0	0	111.9	L14 N20 T21 I22	L14-F18 WeakPolarHBondContact O-CB 3.42Å; L14-F18 PolarHBondContact O-N 3.3Å; F18-N20 PolarHBondContact O-N 3.37Å; F18-T21 VanDerWaalsContact CA-OG1 3.32Å; F18-T21 WeakPolarHBondContact CA-OG1 3.24Å; F18-T21 PolarHBondContact O-N 3.05Å; F18-T21 PolarHBondContact O-OG1 2.87Å; F18-I22 HydrophobicContact CD1-CD1 3.6Å; F18-I22 HydrophobicContact CD1-CG1 4.42Å; F18-I22 HydrophobicContact CE1-CD1 3.29Å; F18-I22 HydrophobicContact CE1-CG1 4.27Å; F18-I22 HydrophobicContact CG-CD1 4.5Å; F18-I22 HydrophobicContact CZ-CD1 3.97Å; F18-I22 WeakPolarHBondContact O-CG1 3.44Å; F18-I22 PolarHBondContact O-N 3.44Å
19	Y	83.7	Confident	78.1	Confident	155 Å²	155	106.1 Å²	106.1	61%	0.608	55%	0.545	S	S	*	.	H	α-helix	trans	-62.3	-42.9	175.5	-167.8	-104.7	0	0	0	111.8	T15 I22 I23	T15-Y19 WeakPolarHBondContact O-CB 3.3Å; T15-Y19 PolarHBondContact O-N 3.36Å; Y19-I22 PolarHBondContact O-N 2.91Å; Y19-I23 HydrophobicContact CD1-CD1 3.53Å; Y19-I23 HydrophobicContact CD1-CG1 4.32Å; Y19-I23 HydrophobicContact CE1-CD1 3.18Å; Y19-I23 HydrophobicContact CE1-CG1 4.15Å; Y19-I23 HydrophobicContact CG-CD1 4.43Å; Y19-I23 WeakPolarHBondContact O-CB 3.38Å; Y19-I23 WeakPolarHBondContact O-CG1 3.33Å; Y19-I23 PolarHBondContact O-N 3.2Å
20	N	82.4	Confident	77.5	Confident	99 Å²	99	109.6 Å²	109.6	53%	0.529	55%	0.554	S	S	.	*	H	α-helix	trans	-65.6	-37.4	174.9	-75.5	-29.7	0	0	0	112.4	T16 T17 F18 I23 S24	T16-N20 VanDerWaalsContact O-CB 3.28Å; T16-N20 WeakPolarHBondContact O-CB 3.47Å; T16-N20 PolarHBondContact O-N 2.82Å; T16-N20 PolarHBondContact O-ND2 3.42Å; T16-N20 VanDerWaalsContact O-ND2 3.16Å; T17-N20 PolarHBondContact O-N 3.42Å; F18-N20 PolarHBondContact O-N 3.37Å; N20-I23 PolarHBondContact O-N 3.07Å; N20-S24 WeakPolarHBondContact O-CB 3.24Å; N20-S24 PolarHBondContact O-N 2.81Å; N20-S24 PolarHBondContact O-OG 2.87Å
21	T	80	Confident	77.1	Confident	75 Å²	75	112.8 Å²	112.8	46%	0.46	57%	0.565	S	S	.	*	H	α-helix	trans	-66.6	-41	174.4	51.8	0	0	0	0	111.8	T17 F18 S24 A25	T17-T21 WeakPolarHBondContact O-CG2 3.38Å; T17-T21 PolarHBondContact O-N 3.05Å; T17-T21 PolarHBondContact O-OG1 3.03Å; F18-T21 VanDerWaalsContact CA-OG1 3.32Å; F18-T21 WeakPolarHBondContact CA-OG1 3.24Å; F18-T21 PolarHBondContact O-N 3.05Å; F18-T21 PolarHBondContact O-OG1 2.87Å; T21-S24 WeakPolarHBondContact CA-OG 3.33Å; T21-S24 PolarHBondContact O-N 3.44Å; T21-S24 PolarHBondContact O-OG 3.34Å; T21-A25 WeakPolarHBondContact O-CB 3.46Å; T21-A25 PolarHBondContact O-N 3.07Å
22	I	82.1	Confident	77.1	Confident	69 Å²	69	113.3 Å²	113.3	35%	0.354	57%	0.573	S	S	.	*	H	α-helix	trans	-64.4	-44.1	175	-72.6	175.2	0	0	0	110.7	F18 Y19 A25 L26	F18-I22 HydrophobicContact CD1-CD1 3.6Å; F18-I22 HydrophobicContact CD1-CG1 4.42Å; F18-I22 HydrophobicContact CE1-CD1 3.29Å; F18-I22 HydrophobicContact CE1-CG1 4.27Å; F18-I22 HydrophobicContact CG-CD1 4.5Å; F18-I22 HydrophobicContact CZ-CD1 3.97Å; F18-I22 WeakPolarHBondContact O-CG1 3.44Å; F18-I22 PolarHBondContact O-N 3.44Å; Y19-I22 PolarHBondContact O-N 2.91Å; I22-A25 PolarHBondContact O-N 2.9Å; I22-L26 HydrophobicContact CG2-CD1 3.63Å; I22-L26 HydrophobicContact CG2-CG 4.22Å; I22-L26 WeakPolarHBondContact O-CB 3.49Å; I22-L26 VanDerWaalsContact O-CG 3.26Å; I22-L26 WeakPolarHBondContact O-CG 3.1Å; I22-L26 PolarHBondContact O-N 3.42Å
23	I	81.2	Confident	77.1	Confident	58 Å²	58	113.8 Å²	113.8	30%	0.297	58%	0.58	S	S	.	*	H	α-helix	trans	-60.6	-47.2	174.5	-73	177.9	0	0	0	110.2	Y19 N20 A25 L26 F27	Y19-I23 HydrophobicContact CD1-CD1 3.53Å; Y19-I23 HydrophobicContact CD1-CG1 4.32Å; Y19-I23 HydrophobicContact CE1-CD1 3.18Å; Y19-I23 HydrophobicContact CE1-CG1 4.15Å; Y19-I23 HydrophobicContact CG-CD1 4.43Å; Y19-I23 WeakPolarHBondContact O-CB 3.38Å; Y19-I23 WeakPolarHBondContact O-CG1 3.33Å; Y19-I23 PolarHBondContact O-N 3.2Å; N20-I23 PolarHBondContact O-N 3.07Å; I23-A25 VanDerWaalsContact C-N 3.28Å; I23-A25 PolarHBondContact O-N 2.86Å; I23-L26 PolarHBondContact O-N 3.19Å; I23-F27 HydrophobicContact CG2-CD2 3.71Å; I23-F27 HydrophobicContact CG2-CE2 4.08Å; I23-F27 WeakPolarHBondContact O-CB 3.21Å; I23-F27 WeakPolarHBondContact O-CD2 3.3Å; I23-F27 PolarHBondContact O-N 2.82Å
24	S	77.3	Confident	77.3	Confident	70 Å²	70	112.5 Å²	112.5	49%	0.49	58%	0.578	S	S	.	*	H	α-helix	trans	-62.1	-36.6	179.1	71.1	0	0	0	0	112.4	N20 T21 Y28	N20-S24 WeakPolarHBondContact O-CB 3.24Å; N20-S24 PolarHBondContact O-N 2.81Å; N20-S24 PolarHBondContact O-OG 2.87Å; T21-S24 WeakPolarHBondContact CA-OG 3.33Å; T21-S24 PolarHBondContact O-N 3.44Å; T21-S24 PolarHBondContact O-OG 3.34Å; S24-Y28 WeakPolarHBondContact O-CB 3.42Å; S24-Y28 PolarHBondContact O-N 3.39Å
25	A	77.2	Confident	77.8	Confident	73 Å²	73	110.6 Å²	110.6	60%	0.603	57%	0.573	S	S	*	*	H	α-helix	trans	-72.6	-36.5	176.1	0	0	0	0	0	112.4	T21 I22 I23 Y28	T21-A25 WeakPolarHBondContact O-CB 3.46Å; T21-A25 PolarHBondContact O-N 3.07Å; I22-A25 PolarHBondContact O-N 2.9Å; I23-A25 VanDerWaalsContact C-N 3.28Å; I23-A25 PolarHBondContact O-N 2.86Å; A25-Y28 PolarHBondContact O-N 2.97Å
26	L	75.4	Confident	78.4	Confident	134 Å²	134	108.5 Å²	108.5	70%	0.702	56%	0.562	S	S	*	*	H	α-helix	trans	-70.8	-30.9	175.3	-74.7	169.5	0	0	0	112.4	I22 I23	I22-L26 HydrophobicContact CG2-CD1 3.63Å; I22-L26 HydrophobicContact CG2-CG 4.22Å; I22-L26 WeakPolarHBondContact O-CB 3.49Å; I22-L26 VanDerWaalsContact O-CG 3.26Å; I22-L26 WeakPolarHBondContact O-CG 3.1Å; I22-L26 PolarHBondContact O-N 3.42Å; I23-L26 PolarHBondContact O-N 3.19Å
27	F	71.6	Confident	78.9	Confident	168 Å²	168	110.6 Å²	110.6	74%	0.737	57%	0.569	S	S	*	*	S	Bend	trans	-93.8	-0.9	176.5	-80.5	-82.4	0	0	0	114	I23 H29	I23-F27 HydrophobicContact CG2-CD2 3.71Å; I23-F27 HydrophobicContact CG2-CE2 4.08Å; I23-F27 WeakPolarHBondContact O-CB 3.21Å; I23-F27 WeakPolarHBondContact O-CD2 3.3Å; I23-F27 PolarHBondContact O-N 2.82Å; F27-H29 PolarHBondContact O-N 2.89Å
28	Y	64.4	Low	79.4	Confident	182 Å²	182	113.8 Å²	113.8	71%	0.714	58%	0.576	S	S	*	*			trans	-75.6	63.6	171	-148.5	-90.3	0	0	0	110.1	S24 A25 E30	S24-Y28 WeakPolarHBondContact O-CB 3.42Å; S24-Y28 PolarHBondContact O-N 3.39Å; A25-Y28 PolarHBondContact O-N 2.97Å; Y28-E30 PolarHBondContact O-N 3.25Å
29	H	64	Low	79.9	Confident	167 Å²	167	113.4 Å²	113.4	77%	0.773	57%	0.571	S	S	*	*			trans	-80.8	96.7	164.4	-128.8	-40.1	0	0	0	106.7	F27 H31	F27-H29 PolarHBondContact O-N 2.89Å; H29-H31 PolarHBondContact O-N 3.06Å
30	E	64.4	Low	80.5	Confident	143 Å²	143	106 Å²	106	67%	0.668	54%	0.542	S	S	*	.			trans	-56.7	109.9	172.4	-165.2	168.8	-163.4	0	0	108.2	Y28 V32	Y28-E30 PolarHBondContact O-N 3.25Å; E30-V32 VanDerWaalsContact C-N 3.32Å; E30-V32 PolarHBondContact O-N 3.4Å
31	H	68.7	Low	81	Confident	181 Å²	181	103 Å²	103	84%	0.838	53%	0.525	S	S	*	.			trans	-66.9	92.9	177.8	-98.5	-83	0	0	0	108.6	H29 I33	H29-H31 PolarHBondContact O-N 3.06Å; H31-I33 PolarHBondContact O-N 3.44Å; H31-I33 VanDerWaalsContact O-N 3.09Å
32	V	75.3	Confident	81.7	Confident	123 Å²	123	105.9 Å²	105.9	75%	0.745	53%	0.531	S	S	*	.			trans	-70.4	105.4	175.2	-176.6	0	0	0	0	108.8	E30 P34	E30-V32 VanDerWaalsContact C-N 3.32Å; E30-V32 PolarHBondContact O-N 3.4Å; V32-P34 WeakPolarHBondContact O-CD 3.3Å
33	I	81.7	Confident	82.3	Confident	153 Å²	153	106.5 Å²	106.5	79%	0.785	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-70.8	118.6	172.2	-59.5	170.8	0	0	0	107.8	H31	H31-I33 PolarHBondContact O-N 3.44Å; H31-I33 VanDerWaalsContact O-N 3.09Å
34	P	85.1	Confident	83	Confident	73 Å²	73	104.2 Å²	104.2	47%	0.474	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-67.7	147.7	-178.9	28.1	-34.1	0	0	0	111.2	V32 K38	V32-P34 WeakPolarHBondContact O-CD 3.3Å; P34-K38 HydrophobicContact CB-CB 4.21Å; P34-K38 HydrophobicContact CB-CD 4.27Å; P34-K38 HydrophobicContact CB-CG 4.27Å
35	S	91.2	Very high	83.8	Confident	65 Å²	65	103 Å²	103	46%	0.455	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-59.3	156	171.5	66	0	0	0	0	111.4	E37 K38 R39	S35-E37 PolarHBondContact O-N 2.95Å; S35-K38 PolarHBondContact O-N 3.39Å; S35-K38 VanDerWaalsContact O-N 3.08Å; S35-K38 WeakPolarHBondContact OG-CB 3.33Å; S35-K38 PolarHBondContact OG-N 2.97Å; S35-K38 VanDerWaalsContact OG-N 3.17Å; S35-R39 PolarHBondContact O-N 3.03Å
36	S	92.6	Very high	84.6	Confident	33 Å²	33	102.4 Å²	102.4	23%	0.231	50%	0.495	C	S	.	.	H	α-helix	trans	-56.6	-36.8	175.8	47.4	0	0	0	0	112	R39 L40 S109	S36-R39 PolarHBondContact O-N 3.39Å; S36-L40 WeakPolarHBondContact O-CB 3.28Å; S36-L40 PolarHBondContact O-N 3.36Å; S36-S109 WeakPolarHBondContact CB-OG 3.48Å; S36-S109 PolarHBondContact OG-OG 3.02Å; S36-S109 VanDerWaalsContact OG-OG 3.07Å
37	E	93.9	Very high	85.5	Confident	87 Å²	87	99.7 Å²	99.7	41%	0.407	48%	0.482	S	S	.	.	H	α-helix	trans	-61.6	-48.9	172.7	-170.3	-175.8	-178.4	0	0	112.1	S35 R39 L40 I41 I111	S35-E37 PolarHBondContact O-N 2.95Å; E37-R39 VanDerWaalsContact C-N 3.28Å; E37-R39 PolarHBondContact O-N 3.03Å; E37-L40 WeakPolarHBondContact O-CB 3.29Å; E37-L40 PolarHBondContact O-N 3.42Å; E37-L40 VanDerWaalsContact O-N 3.16Å; E37-I41 HydrophobicContact CG-CD1 3.91Å; E37-I41 HydrophobicContact CG-CG1 4.48Å; E37-I41 WeakPolarHBondContact O-CG1 3.22Å; E37-I41 PolarHBondContact O-N 3.42Å; E37-I111 VanDerWaalsContact CA-CD1 3.47Å; E37-I111 HydrophobicContact CB-CD1 3.62Å; E37-I111 HydrophobicContact CG-CD1 4.28Å
38	K	92.8	Very high	86.6	Confident	142 Å²	142	92 Å²	92	62%	0.617	45%	0.448	S	S	*	.	H	α-helix	trans	-64.2	-36.2	-179.9	-171.4	166.6	-174.6	172.3	0	111.6	P34 S35 K42	P34-K38 HydrophobicContact CB-CB 4.21Å; P34-K38 HydrophobicContact CB-CD 4.27Å; P34-K38 HydrophobicContact CB-CG 4.27Å; S35-K38 PolarHBondContact O-N 3.39Å; S35-K38 VanDerWaalsContact O-N 3.08Å; S35-K38 WeakPolarHBondContact OG-CB 3.33Å; S35-K38 PolarHBondContact OG-N 2.97Å; S35-K38 VanDerWaalsContact OG-N 3.17Å; K38-K42 VanDerWaalsContact O-CB 3.29Å; K38-K42 WeakPolarHBondContact O-CB 3.49Å; K38-K42 PolarHBondContact O-N 3.3Å; K38-K42 VanDerWaalsContact O-N 3.08Å
39	R	93.2	Very high	88	Confident	131 Å²	131	90.2 Å²	90.2	49%	0.494	45%	0.446	S	S	.	.	H	α-helix	trans	-64.3	-45.2	172.8	-173.4	176.5	68.4	-170	3.2	111.6	S35 S36 E37 Q43 N107	S35-R39 PolarHBondContact O-N 3.03Å; S36-R39 PolarHBondContact O-N 3.39Å; E37-R39 VanDerWaalsContact C-N 3.28Å; E37-R39 PolarHBondContact O-N 3.03Å; R39-Q43 WeakPolarHBondContact O-CB 3.31Å; R39-Q43 PolarHBondContact O-N 3.04Å; R39-N107 PolarHBondContact NH2-O 3.41Å
40	L	95.3	Very high	89.3	Confident	1 Å²	1	90.4 Å²	90.4	1%	0.005	44%	0.444	C	S	.	.	H	α-helix	trans	-60.5	-53.5	176.9	173	59.2	0	0	0	111.6	S36 E37 K42 Q43 L44 W103 Y108 I111 V114	S36-L40 WeakPolarHBondContact O-CB 3.28Å; S36-L40 PolarHBondContact O-N 3.36Å; E37-L40 WeakPolarHBondContact O-CB 3.29Å; E37-L40 PolarHBondContact O-N 3.42Å; E37-L40 VanDerWaalsContact O-N 3.16Å; L40-K42 VanDerWaalsContact C-N 3.32Å; L40-K42 PolarHBondContact O-N 3.26Å; L40-Q43 PolarHBondContact O-N 3Å; L40-L44 HydrophobicContact CD1-CD1 3.82Å; L40-L44 HydrophobicContact CD1-CD2 4.46Å; L40-L44 HydrophobicContact CD1-CG 3.9Å; L40-L44 HydrophobicContact CG-CD1 3.96Å; L40-L44 HydrophobicContact CG-CG 4.42Å; L40-L44 WeakPolarHBondContact O-CG 3.36Å; L40-L44 PolarHBondContact O-N 2.85Å; L40-W103 HydrophobicContact CD1-CB 3.9Å; L40-W103 HydrophobicContact CD1-CD2 4.04Å; L40-W103 HydrophobicContact CD1-CG 3.67Å; L40-W103 HydrophobicContact CD2-CD2 4.13Å; L40-W103 HydrophobicContact CD2-CG 4.21Å; L40-W103 HydrophobicContact CD2-CZ2 4.19Å; L40-Y108 HydrophobicContact CB-CD1 3.62Å; L40-Y108 HydrophobicContact CB-CE1 3.96Å; L40-Y108 HydrophobicContact CB-CG 3.97Å; L40-Y108 HydrophobicContact CD1-CD1 4.19Å; L40-Y108 HydrophobicContact CD1-CD2 3.81Å; L40-Y108 HydrophobicContact CD1-CE1 4.11Å; L40-Y108 HydrophobicContact CD1-CE2 3.73Å; L40-Y108 HydrophobicContact CD1-CG 4.04Å; L40-Y108 HydrophobicContact CD2-CG 4.26Å; L40-Y108 HydrophobicContact CG-CD1 4.38Å; L40-Y108 HydrophobicContact CG-CG 4.31Å; L40-I111 HydrophobicContact CD2-CB 4.35Å; L40-I111 HydrophobicContact CD2-CG2 4.01Å; L40-V114 HydrophobicContact CD2-CG1 3.63Å; L40-V114 HydrophobicContact CG-CG1 4.31Å
41	I	94.8	Very high	90.6	Very high	35 Å²	35	86.6 Å²	86.6	18%	0.179	44%	0.438	C	S	.	.	H	α-helix	trans	-59.4	-45	-178.6	-68.2	172	0	0	0	110.5	E37 Q43 L44 I45 V114	E37-I41 HydrophobicContact CG-CD1 3.91Å; E37-I41 HydrophobicContact CG-CG1 4.48Å; E37-I41 WeakPolarHBondContact O-CG1 3.22Å; E37-I41 PolarHBondContact O-N 3.42Å; I41-Q43 PolarHBondContact O-N 2.89Å; I41-L44 PolarHBondContact O-N 3.26Å; I41-I45 HydrophobicContact CG2-CD1 3.69Å; I41-I45 HydrophobicContact CG2-CG1 4.42Å; I41-I45 VanDerWaalsContact O-CG1 3.32Å; I41-I45 WeakPolarHBondContact O-CG1 3.38Å; I41-I45 PolarHBondContact O-N 3.36Å; I41-V114 HydrophobicContact CD1-CB 4.3Å; I41-V114 HydrophobicContact CG1-CB 4.03Å; I41-V114 HydrophobicContact CG1-CG1 4.12Å
42	K	94	Very high	91.6	Very high	135 Å²	135	79.8 Å²	79.8	59%	0.587	42%	0.416	S	S	*	.	H	α-helix	trans	-58.1	-49	176.6	-176.6	177.4	179.6	-179.3	0	111.3	K38 L40 L44 I45 D46	K38-K42 VanDerWaalsContact O-CB 3.29Å; K38-K42 WeakPolarHBondContact O-CB 3.49Å; K38-K42 PolarHBondContact O-N 3.3Å; K38-K42 VanDerWaalsContact O-N 3.08Å; L40-K42 VanDerWaalsContact C-N 3.32Å; L40-K42 PolarHBondContact O-N 3.26Å; K42-L44 PolarHBondContact O-N 3.01Å; K42-I45 PolarHBondContact O-N 3.45Å; K42-D46 WeakPolarHBondContact O-CB 3.33Å; K42-D46 PolarHBondContact O-N 2.86Å
43	Q	94.1	Very high	92.2	Very high	82 Å²	82	78.8 Å²	78.8	38%	0.383	40%	0.402	S	S	.	.	H	α-helix	trans	-63.5	-40.2	179.4	179	170.1	-20.9	0	0	112.9	R39 L40 I41 N47 Y108	R39-Q43 WeakPolarHBondContact O-CB 3.31Å; R39-Q43 PolarHBondContact O-N 3.04Å; L40-Q43 PolarHBondContact O-N 3Å; I41-Q43 PolarHBondContact O-N 2.89Å; Q43-N47 VanDerWaalsContact O-CB 3.25Å; Q43-N47 WeakPolarHBondContact O-CB 3.41Å; Q43-N47 PolarHBondContact O-N 3.24Å; Q43-N47 PolarHBondContact O-ND2 3.45Å; Q43-Y108 PolarHBondContact NE2-OH 3.26Å; Q43-Y108 VanDerWaalsContact NE2-OH 3.17Å; Q43-Y108 PolarHBondContact OE1-OH 3.38Å
44	L	95.3	Very high	92.4	Very high	11 Å²	11	79.5 Å²	79.5	6%	0.058	41%	0.405	C	S	.	.	H	α-helix	trans	-61.9	-47.5	176.4	-73.2	173.4	0	0	0	111.1	L40 I41 K42 N47 Y48 L101 W103 V114 I116	L40-L44 HydrophobicContact CD1-CD1 3.82Å; L40-L44 HydrophobicContact CD1-CD2 4.46Å; L40-L44 HydrophobicContact CD1-CG 3.9Å; L40-L44 HydrophobicContact CG-CD1 3.96Å; L40-L44 HydrophobicContact CG-CG 4.42Å; L40-L44 WeakPolarHBondContact O-CG 3.36Å; L40-L44 PolarHBondContact O-N 2.85Å; I41-L44 PolarHBondContact O-N 3.26Å; K42-L44 PolarHBondContact O-N 3.01Å; L44-N47 PolarHBondContact O-N 2.67Å; L44-Y48 VanDerWaalsContact O-CB 3.31Å; L44-Y48 WeakPolarHBondContact O-CB 3.4Å; L44-Y48 PolarHBondContact O-N 3.46Å; L44-L101 HydrophobicContact CB-CD2 4.46Å; L44-W103 HydrophobicContact CD1-CD2 4.47Å; L44-W103 HydrophobicContact CD1-CE3 3.84Å; L44-W103 HydrophobicContact CD1-CZ3 4.03Å; L44-W103 HydrophobicContact CD2-CE3 4.19Å; L44-V114 HydrophobicContact CD1-CG2 4.11Å; L44-I116 HydrophobicContact CD1-CD1 4.4Å
45	I	94.8	Very high	92.5	Very high	44 Å²	44	77.6 Å²	77.6	23%	0.226	40%	0.399	C	S	.	.	H	α-helix	trans	-64.3	-47.3	179.3	-66.1	170	0	0	0	110.8	I41 K42 N47 Y48 E49 V120	I41-I45 HydrophobicContact CG2-CD1 3.69Å; I41-I45 HydrophobicContact CG2-CG1 4.42Å; I41-I45 VanDerWaalsContact O-CG1 3.32Å; I41-I45 WeakPolarHBondContact O-CG1 3.38Å; I41-I45 PolarHBondContact O-N 3.36Å; K42-I45 PolarHBondContact O-N 3.45Å; I45-N47 VanDerWaalsContact C-N 3.3Å; I45-N47 PolarHBondContact O-N 3.04Å; I45-Y48 PolarHBondContact O-N 2.94Å; I45-Y48 VanDerWaalsContact O-N 3.17Å; I45-E49 WeakPolarHBondContact O-CB 3.47Å; I45-E49 PolarHBondContact O-N 2.99Å; I45-V120 HydrophobicContact CD1-CG2 4.14Å; I45-V120 HydrophobicContact CG1-CG2 4.12Å; I45-V120 HydrophobicContact CG2-CB 4.5Å
46	D	94.7	Very high	92.6	Very high	61 Å²	61	76.5 Å²	76.5	33%	0.326	39%	0.385	S	S	.	.	H	α-helix	trans	-60.9	-39.7	179.4	-68.1	-10.1	0	0	0	111.4	K42 K50	K42-D46 WeakPolarHBondContact O-CB 3.33Å; K42-D46 PolarHBondContact O-N 2.86Å; D46-K50 VanDerWaalsContact O-CG 3.25Å; D46-K50 WeakPolarHBondContact O-CG 3.25Å; D46-K50 PolarHBondContact O-N 3.3Å; D46-K50 VanDerWaalsContact O-N 3.14Å
47	N	93.1	Very high	92.7	Very high	77 Å²	77	75 Å²	75	41%	0.412	37%	0.374	S	S	.	.	H	α-helix	trans	-70.3	-38.2	176.8	-73	-11.9	0	0	0	112.1	Q43 L44 I45 K50 A51	Q43-N47 VanDerWaalsContact O-CB 3.25Å; Q43-N47 WeakPolarHBondContact O-CB 3.41Å; Q43-N47 PolarHBondContact O-N 3.24Å; Q43-N47 PolarHBondContact O-ND2 3.45Å; L44-N47 PolarHBondContact O-N 2.67Å; I45-N47 VanDerWaalsContact C-N 3.3Å; I45-N47 PolarHBondContact O-N 3.04Å; N47-K50 PolarHBondContact O-N 3.26Å; N47-A51 WeakPolarHBondContact O-CB 3.12Å; N47-A51 PolarHBondContact O-N 3.43Å
48	Y	94.9	Very high	92.7	Very high	6 Å²	6	72.1 Å²	72.1	2%	0.024	36%	0.363	C	S	.	.	H	α-helix	trans	-65.6	-42.9	176.8	-155.8	-89.5	0	0	0	111.5	L44 I45 K50 A51 G52 D98 L100 L101 I121 W122	L44-Y48 VanDerWaalsContact O-CB 3.31Å; L44-Y48 WeakPolarHBondContact O-CB 3.4Å; L44-Y48 PolarHBondContact O-N 3.46Å; I45-Y48 PolarHBondContact O-N 2.94Å; I45-Y48 VanDerWaalsContact O-N 3.17Å; Y48-K50 VanDerWaalsContact C-N 3.34Å; Y48-K50 PolarHBondContact O-N 2.96Å; Y48-A51 PolarHBondContact O-N 3.42Å; Y48-G52 CarbonylContact O-C 3.58Å; Y48-G52 PolarHBondContact O-N 3.48Å; Y48-D98 VanDerWaalsContact CE2-OD2 3.25Å; Y48-D98 WeakPolarHBondContact CE2-OD2 3.35Å; Y48-D98 PolarHBondContact OH-OD2 3.32Å; Y48-L100 HydrophobicContact CD2-CB 3.85Å; Y48-L100 HydrophobicContact CD2-CD1 4.24Å; Y48-L100 HydrophobicContact CE2-CB 3.83Å; Y48-L100 HydrophobicContact CE2-CD1 3.94Å; Y48-L100 HydrophobicContact CE2-CG 4.47Å; Y48-L101 HydrophobicContact CD2-CD2 3.64Å; Y48-L101 HydrophobicContact CD2-CG 3.95Å; Y48-L101 HydrophobicContact CE2-CD1 4.28Å; Y48-L101 HydrophobicContact CE2-CD2 4.08Å; Y48-L101 HydrophobicContact CE2-CG 3.88Å; Y48-L101 HydrophobicContact CG-CD2 4.49Å; Y48-I121 HydrophobicContact CD1-CB 4.48Å; Y48-I121 HydrophobicContact CD1-CG2 4.1Å; Y48-I121 HydrophobicContact CD2-CG2 4.29Å; Y48-I121 HydrophobicContact CE1-CB 3.99Å; Y48-I121 HydrophobicContact CE1-CG2 4.09Å; Y48-I121 HydrophobicContact CE2-CB 4.5Å; Y48-I121 HydrophobicContact CE2-CG2 4.26Å; Y48-I121 HydrophobicContact CG-CG2 4.18Å; Y48-W122 VanDerWaalsContact OH-CB 3.25Å; Y48-W122 WeakPolarHBondContact OH-CB 3.24Å; Y48-W122 PolarHBondContact OH-N 3.14Å
49	E	93.1	Very high	92.6	Very high	145 Å²	145	72.6 Å²	72.6	68%	0.678	37%	0.365	S	S	*	.	H	α-helix	trans	-61.7	-42.4	176.1	-173.1	172.8	-162.4	0	0	111.5	I45 A51 G52	I45-E49 WeakPolarHBondContact O-CB 3.47Å; I45-E49 PolarHBondContact O-N 2.99Å; E49-A51 VanDerWaalsContact C-N 3.35Å; E49-A51 PolarHBondContact O-N 2.98Å; E49-G52 PolarHBondContact O-N 2.95Å
50	K	92.7	Very high	92.6	Very high	170 Å²	170	70.2 Å²	70.2	74%	0.739	36%	0.362	S	S	*	.	H	α-helix	trans	-63.9	-36	174.1	-73	170.9	-172.6	173.4	0	113.4	D46 N47 Y48 G52	D46-K50 VanDerWaalsContact O-CG 3.25Å; D46-K50 WeakPolarHBondContact O-CG 3.25Å; D46-K50 PolarHBondContact O-N 3.3Å; D46-K50 VanDerWaalsContact O-N 3.14Å; N47-K50 PolarHBondContact O-N 3.26Å; Y48-K50 VanDerWaalsContact C-N 3.34Å; Y48-K50 PolarHBondContact O-N 2.96Å; K50-G52 VanDerWaalsContact C-N 3.27Å
51	A	91.7	Very high	92.3	Very high	64 Å²	64	75.8 Å²	75.8	53%	0.529	40%	0.396	S	S	.	.	H	α-helix	trans	-73.4	-22.8	176.2	0	0	0	0	0	112.5	N47 Y48 E49 L100	N47-A51 WeakPolarHBondContact O-CB 3.12Å; N47-A51 PolarHBondContact O-N 3.43Å; Y48-A51 PolarHBondContact O-N 3.42Å; E49-A51 VanDerWaalsContact C-N 3.35Å; E49-A51 PolarHBondContact O-N 2.98Å; A51-L100 HydrophobicContact CB-CD1 4.03Å; A51-L100 HydrophobicContact CB-CD2 4.43Å
52	G	89.4	Confident	92.2	Very high	37 Å²	37	82.9 Å²	82.9	38%	0.381	43%	0.425	S	S	.	.			trans	104	121	-176.9	0	0	0	0	0	111.2	Y48 E49 K50	Y48-G52 CarbonylContact O-C 3.58Å; Y48-G52 PolarHBondContact O-N 3.48Å; E49-G52 PolarHBondContact O-N 2.95Å; K50-G52 VanDerWaalsContact C-N 3.27Å
53	K	86.9	Confident	92.2	Very high	102 Å²	102	79.3 Å²	79.3	44%	0.443	41%	0.413	S	S	.	.	S	Bend	trans	-71.6	-30.4	179.2	177.7	-178.1	163.9	-166.6	0	113.4	S119	K53-S119 WeakPolarHBondContact CE-O 3.37Å; K53-S119 PolarHBondContact NZ-O 3Å
54	I	87	Confident	92.2	Very high	168 Å²	168	81.9 Å²	81.9	86%	0.862	42%	0.419	S	S	*	.	S	Bend	trans	-94.4	122.5	-173.1	-58.1	174.8	0	0	0	109.2
55	G	87.6	Confident	92.2	Very high	33 Å²	33	81.7 Å²	81.7	34%	0.34	42%	0.418	S	S	.	.	S	Bend	trans	127.2	164.2	179.1	0	0	0	0	0	112.2	W122	G55-W122 VanDerWaalsContact O-CG 3.31Å; G55-W122 PolarHBondContact O-NE1 3.43Å
56	R	93.4	Very high	92.3	Very high	42 Å²	42	82.4 Å²	82.4	16%	0.158	42%	0.424	C	S	.	.			trans	-64.3	138.4	179.3	-64.6	-177.2	-64.1	133	7.9	110	V58 T61 D63 V65 W122 Y187 Q191	R56-V58 HydrophobicContact CB-CG2 4.13Å; R56-V58 PolarHBondContact O-N 3.03Å; R56-T61 PolarHBondContact NH2-O 3.34Å; R56-D63 PolarHBondContact NH1-O 3.31Å; R56-V65 HydrophobicContact CB-CG2 3.93Å; R56-V65 HydrophobicContact CG-CG2 4.35Å; R56-W122 HydrophobicContact CG-CZ2 4.46Å; R56-Y187 HydrophobicContact CG-CD1 4.26Å; R56-Y187 HydrophobicContact CG-CE1 3.59Å; R56-Q191 WeakPolarHBondContact CD-O 3.08Å; R56-Q191 VanDerWaalsContact NH1-CA 3.31Å; R56-Q191 PolarHBondContact NH1-O 3.21Å
57	P	93.9	Very high	92.4	Very high	1 Å²	1	79.5 Å²	79.5	1%	0.006	41%	0.409	C	S	.	.	S	Bend	trans	-78.5	57.7	-176.9	33	-38.9	0	0	0	112.7	V65 D98 Q99 W122	P57-V65 HydrophobicContact CG-CG2 4.48Å; P57-D98 HydrophobicContact CB-CB 4.11Å; P57-D98 WeakPolarHBondContact CB-OD1 3Å; P57-D98 WeakPolarHBondContact CB-OD2 3.41Å; P57-D98 HydrophobicContact CG-CB 4.39Å; P57-Q99 PolarHBondContact O-N 3.04Å; P57-W122 VanDerWaalsContact CD-CD2 3.49Å; P57-W122 HydrophobicContact CG-CD2 4.19Å; P57-W122 HydrophobicContact CG-CE3 3.58Å; P57-W122 HydrophobicContact CG-CZ3 3.87Å
58	V	93.6	Very high	92.6	Very high	28 Å²	28	76.1 Å²	76.1	17%	0.17	39%	0.393	C	S	.	.			trans	-119.3	142.1	-178.3	-63.4	0	0	0	0	110.4	R56 N60 D63 V65	R56-V58 HydrophobicContact CB-CG2 4.13Å; R56-V58 PolarHBondContact O-N 3.03Å; V58-N60 WeakPolarHBondContact CG2-O 3.4Å; V58-D63 HydrophobicContact CB-CB 4.24Å; V58-D63 HydrophobicContact CG1-CB 4.17Å; V58-V65 HydrophobicContact CG1-CG2 3.63Å
59	K	91.4	Very high	92.7	Very high	152 Å²	152	75.9 Å²	75.9	66%	0.661	39%	0.392	S	S	*	.	S	Bend	trans	-77.3	-32.9	173.9	-69.5	175.5	-179.5	-174.9	0	112.4	Q99	K59-Q99 VanDerWaalsContact CB-OE1 3.29Å; K59-Q99 HydrophobicContact CD-CB 4.49Å; K59-Q99 HydrophobicContact CG-CB 4.22Å; K59-Q99 VanDerWaalsContact CG-OE1 3.23Å
60	N	92.8	Very high	92.9	Very high	81 Å²	81	69.5 Å²	69.5	43%	0.433	37%	0.365	S	S	.	.	S	Bend	trans	-113.1	130.2	178.6	179.6	8.3	0	0	0	109.9	V58 K62 D63	V58-N60 WeakPolarHBondContact CG2-O 3.4Å; N60-K62 PolarHBondContact O-N 3.25Å; N60-K62 VanDerWaalsContact O-N 3.16Å; N60-K62 PolarHBondContact OD1-N 3.05Å; N60-D63 PolarHBondContact ND2-OD1 2.91Å; N60-D63 WeakPolarHBondContact O-CB 3.43Å; N60-D63 PolarHBondContact O-N 3.39Å
61	T	89.9	Confident	93.1	Very high	117 Å²	117	61.7 Å²	61.7	72%	0.718	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-29.9	-177.9	-48.9	0	0	0	0	113.2	R56 D63	R56-T61 PolarHBondContact NH2-O 3.34Å; T61-D63 VanDerWaalsContact C-N 3.29Å; T61-D63 PolarHBondContact O-N 3.47Å
62	K	91.9	Very high	93.3	Very high	184 Å²	184	58.7 Å²	58.7	80%	0.8	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-16.4	178.6	-66.2	-172.7	178	-176.6	0	113.7	N60	N60-K62 PolarHBondContact O-N 3.25Å; N60-K62 VanDerWaalsContact O-N 3.16Å; N60-K62 PolarHBondContact OD1-N 3.05Å
63	D	94.2	Very high	93.7	Very high	60 Å²	60	57.1 Å²	57.1	32%	0.321	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-75.3	136.2	-179.5	-63.5	-4.6	0	0	0	109.3	R56 V58 N60 T61	R56-D63 PolarHBondContact NH1-O 3.31Å; V58-D63 HydrophobicContact CB-CB 4.24Å; V58-D63 HydrophobicContact CG1-CB 4.17Å; N60-D63 PolarHBondContact ND2-OD1 2.91Å; N60-D63 WeakPolarHBondContact O-CB 3.43Å; N60-D63 PolarHBondContact O-N 3.39Å; T61-D63 VanDerWaalsContact C-N 3.29Å; T61-D63 PolarHBondContact O-N 3.47Å
64	R	94.2	Very high	94.1	Very high	137 Å²	137	55.6 Å²	55.6	52%	0.517	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-91.9	146.7	173.6	68.7	-173.6	-179.9	167.5	2.7	111.1	E190 Q191 D193	R64-E190 VanDerWaalsContact CB-O 3.31Å; R64-E190 WeakPolarHBondContact CB-O 3.32Å; R64-Q191 WeakPolarHBondContact CA-O 3.39Å; R64-D193 IonicContact CZ-OD2 3.42Å; R64-D193 IonicContact NH1-OD2 2.8Å; R64-D193 PolarHBondContact NH1-OD2 3.49Å; R64-D193 IonicContact NH2-OD2 2.66Å
65	V	95.6	Very high	94.5	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.036	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	120.3	172.8	-177	0	0	0	0	108.3	R56 P57 V58 V67 W96 W122 Q191 L192 D193	R56-V65 HydrophobicContact CB-CG2 3.93Å; R56-V65 HydrophobicContact CG-CG2 4.35Å; P57-V65 HydrophobicContact CG-CG2 4.48Å; V58-V65 HydrophobicContact CG1-CG2 3.63Å; V65-V67 HydrophobicContact CG1-CG2 4.02Å; V65-W96 HydrophobicContact CG1-CB 4.33Å; V65-W122 HydrophobicContact CB-CH2 4.49Å; V65-W122 HydrophobicContact CG1-CH2 3.98Å; V65-W122 HydrophobicContact CG1-CZ3 4.13Å; V65-Q191 PolarHBondContact N-O 3.01Å; V65-L192 WeakPolarHBondContact O-CA 3.37Å; V65-D193 PolarHBondContact O-N 3.07Å
66	V	96.1	Very high	94.9	Very high	59 Å²	59	49.9 Å²	49.9	36%	0.358	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	118.6	172.5	-178.6	0	0	0	0	108.3	D193 Q195	V66-D193 WeakPolarHBondContact CA-O 3.44Å; V66-D193 HydrophobicContact CG2-CB 4.47Å; V66-Q195 HydrophobicContact CG1-CB 4.46Å; V66-Q195 HydrophobicContact CG1-CG 4.05Å
67	V	97.3	Very high	94.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	113.6	177.3	-178.9	0	0	0	0	108.3	V65 Y94 T95 W96 P124 L192 D193 L194 Q195	V65-V67 HydrophobicContact CG1-CG2 4.02Å; V67-Y94 HydrophobicContact CG1-CD1 4.31Å; V67-T95 CarbonylContact C-O 3.56Å; V67-T95 WeakPolarHBondContact CA-O 3.24Å; V67-W96 HydrophobicContact CG2-CB 4.32Å; V67-P124 HydrophobicContact CG1-CB 4.46Å; V67-P124 HydrophobicContact CG1-CG 4.11Å; V67-P124 HydrophobicContact CG2-CB 4.03Å; V67-P124 HydrophobicContact CG2-CG 4.3Å; V67-L192 HydrophobicContact CB-CD2 4.47Å; V67-L192 HydrophobicContact CG2-CD1 4.01Å; V67-L192 HydrophobicContact CG2-CD2 4.22Å; V67-L192 HydrophobicContact CG2-CG 4.01Å; V67-D193 PolarHBondContact N-O 3.43Å; V67-L194 HydrophobicContact CB-CD1 4.14Å; V67-L194 HydrophobicContact CG1-CD1 4.12Å; V67-Q195 PolarHBondContact O-N 3.15Å
68	G	97.3	Very high	94.8	Very high	7 Å²	7	55.3 Å²	55.3	7%	0.072	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.8	168.4	0	0	0	0	0	109.7	Y94 T95 Q195	G68-Y94 CarbonylContact O-C 3.55Å; G68-Y94 WeakPolarHBondContact O-CA 3.47Å; G68-T95 PolarHBondContact N-O 3.04Å; G68-T95 PolarHBondContact O-N 3.23Å; G68-Q195 CarbonylContact C-O 3.52Å; G68-Q195 WeakPolarHBondContact CA-O 3.36Å
69	Y	97.7	Very high	94.8	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.7	-177.6	-174.7	-110.1	0	0	0	111.3	L71 A92 K93 Y94 F182 L194 Q195 L197 L238 F240	Y69-L71 HydrophobicContact CE1-CD2 4.06Å; Y69-L71 HydrophobicContact CE1-CG 4.34Å; Y69-L71 VanDerWaalsContact OH-CD2 3.32Å; Y69-L71 WeakPolarHBondContact OH-CD2 3.29Å; Y69-A92 HydrophobicContact CE2-CB 4.17Å; Y69-K93 WeakPolarHBondContact CA-O 3.26Å; Y69-K93 WeakPolarHBondContact CD2-O 3.43Å; Y69-Y94 AromaticContact CD2-CD1 3.6Å; Y69-Y94 HydrophobicContact CD2-CD1 3.6Å; Y69-Y94 AromaticContact CD2-CE1 3.34Å; Y69-Y94 HydrophobicContact CD2-CE1 3.34Å; Y69-Y94 HydrophobicContact CD2-CE2 4.34Å; Y69-Y94 HydrophobicContact CD2-CG 4.18Å; Y69-Y94 AromaticContact CD2-CZ 3.75Å; Y69-Y94 HydrophobicContact CE2-CD1 4.03Å; Y69-Y94 HydrophobicContact CE2-CD2 4.41Å; Y69-Y94 AromaticContact CE2-CE1 3.36Å; Y69-Y94 HydrophobicContact CE2-CE1 3.36Å; Y69-Y94 AromaticContact CE2-CE2 3.84Å; Y69-Y94 HydrophobicContact CE2-CE2 3.84Å; Y69-Y94 HydrophobicContact CE2-CG 4.49Å; Y69-Y94 AromaticContact CE2-CZ 3.25Å; Y69-Y94 VanDerWaalsContact CE2-OH 3.3Å; Y69-Y94 WeakPolarHBondContact CE2-OH 3.46Å; Y69-F182 HydrophobicContact CD1-CB 4.24Å; Y69-F182 HydrophobicContact CD1-CG 4.46Å; Y69-F182 HydrophobicContact CE1-CB 3.72Å; Y69-F182 AromaticContact CE1-CD1 3.9Å; Y69-F182 HydrophobicContact CE1-CD1 3.9Å; Y69-F182 AromaticContact CE1-CD2 3.76Å; Y69-F182 HydrophobicContact CE1-CD2 3.76Å; Y69-F182 HydrophobicContact CE1-CE1 4.46Å; Y69-F182 HydrophobicContact CE1-CE2 4.34Å; Y69-F182 AromaticContact CE1-CG 3.5Å; Y69-F182 HydrophobicContact CE1-CG 3.5Å; Y69-F182 VanDerWaalsContact CE1-CG 3.5Å; Y69-F182 AromaticContact CZ-CD1 3.91Å; Y69-F182 WeakPolarHBondContact OH-CD1 3.22Å; Y69-F182 VanDerWaalsContact OH-CE1 3.24Å; Y69-F182 WeakPolarHBondContact OH-CE1 3.26Å; Y69-L194 HydrophobicContact CG-CD1 4.46Å; Y69-Q195 PolarHBondContact N-O 3.42Å; Y69-L197 PolarHBondContact O-N 2.88Å; Y69-L238 HydrophobicContact CD1-CD1 4.12Å; Y69-F240 AromaticContact CD1-CE2 3.94Å; Y69-F240 HydrophobicContact CD1-CE2 3.94Å; Y69-F240 HydrophobicContact CD1-CZ 4.15Å; Y69-F240 AromaticContact CE1-CE2 3.86Å; Y69-F240 HydrophobicContact CE1-CE2 3.86Å; Y69-F240 HydrophobicContact CE1-CZ 4.34Å
70	G	96.8	Very high	94.8	Very high	12 Å²	12	48.8 Å²	48.8	12%	0.124	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	156.5	178.3	0	0	0	0	0	111.5	K93	G70-K93 PolarHBondContact N-O 2.88Å; G70-K93 PolarHBondContact O-N 3.36Å
71	L	96.9	Very high	94.6	Very high	5 Å²	5	46 Å²	46	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.9	176.3	-63.2	179.7	0	0	0	109.5	Y69 V90 A92 F160 F182 V203 D204 F240	Y69-L71 HydrophobicContact CE1-CD2 4.06Å; Y69-L71 HydrophobicContact CE1-CG 4.34Å; Y69-L71 VanDerWaalsContact OH-CD2 3.32Å; Y69-L71 WeakPolarHBondContact OH-CD2 3.29Å; L71-V90 HydrophobicContact CD2-CG2 4.18Å; L71-A92 HydrophobicContact CD2-CB 4.37Å; L71-F160 HydrophobicContact CD2-CE2 4.24Å; L71-F182 HydrophobicContact CD1-CD2 4.38Å; L71-F182 HydrophobicContact CD1-CE2 3.64Å; L71-F182 HydrophobicContact CD1-CZ 4.27Å; L71-F182 HydrophobicContact CD2-CE2 4.36Å; L71-F182 HydrophobicContact CD2-CZ 4.36Å; L71-F182 HydrophobicContact CG-CE2 4.45Å; L71-V203 HydrophobicContact CB-CG1 4.11Å; L71-D204 WeakPolarHBondContact O-CB 3.41Å; L71-D204 PolarHBondContact O-N 3.45Å; L71-F240 HydrophobicContact CB-CD1 4.47Å; L71-F240 HydrophobicContact CB-CE1 4.36Å; L71-F240 HydrophobicContact CD1-CB 4.07Å; L71-F240 HydrophobicContact CD1-CD1 4.05Å; L71-F240 HydrophobicContact CD1-CD2 3.57Å; L71-F240 HydrophobicContact CD1-CE1 4.39Å; L71-F240 HydrophobicContact CD1-CE2 3.96Å; L71-F240 HydrophobicContact CD1-CG 3.62Å; L71-F240 HydrophobicContact CD1-CZ 4.35Å; L71-F240 HydrophobicContact CG-CD1 4.33Å; L71-F240 HydrophobicContact CG-CD2 4.15Å; L71-F240 HydrophobicContact CG-CE1 4.2Å; L71-F240 HydrophobicContact CG-CE2 4.02Å; L71-F240 HydrophobicContact CG-CG 4.3Å; L71-F240 HydrophobicContact CG-CZ 4.04Å
72	S	96.3	Very high	94.4	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	114	166.5	-168.3	0	0	0	0	108.5	F74 V90 W91 D204	S72-F74 PolarHBondContact O-N 2.92Å; S72-V90 CarbonylContact O-C 3.51Å; S72-V90 VanDerWaalsContact O-CA 3.23Å; S72-V90 WeakPolarHBondContact O-CA 3.46Å; S72-V90 WeakPolarHBondContact O-CB 3.19Å; S72-W91 PolarHBondContact N-O 3.42Å; S72-W91 PolarHBondContact O-N 3.32Å; S72-D204 CarbonylContact C-O 3.59Å; S72-D204 WeakPolarHBondContact CA-O 3.21Å; S72-D204 WeakPolarHBondContact CB-OD2 3.45Å; S72-D204 PolarHBondContact OG-OD2 3.15Å
73	L	96.9	Very high	94.2	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	117.5	-177.8	-177.2	65.8	0	0	0	109.7	I88 V90 V203 D204 I205 Y208 L216	L73-I88 HydrophobicContact CD1-CB 4.04Å; L73-I88 HydrophobicContact CD1-CG2 4.15Å; L73-V90 HydrophobicContact CD1-CG1 3.88Å; L73-V203 HydrophobicContact CB-CG1 3.8Å; L73-D204 PolarHBondContact N-O 2.97Å; L73-I205 HydrophobicContact CB-CG2 4.49Å; L73-Y208 HydrophobicContact CB-CD2 4.48Å; L73-Y208 HydrophobicContact CD2-CD2 3.69Å; L73-Y208 HydrophobicContact CD2-CE2 3.67Å; L73-Y208 HydrophobicContact CD2-CG 4.48Å; L73-Y208 HydrophobicContact CG-CD2 3.72Å; L73-Y208 HydrophobicContact CG-CE2 4.05Å; L73-Y208 WeakPolarHBondContact O-CA 3.23Å; L73-Y208 WeakPolarHBondContact O-CB 3.42Å; L73-L216 HydrophobicContact CD2-CD2 4.07Å
74	F	95	Very high	94	Very high	71 Å²	71	42 Å²	42	31%	0.311	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-47.7	175.9	-173.2	-99.6	0	0	0	110.9	S72 N89 W91 Q207 Y208 T209	S72-F74 PolarHBondContact O-N 2.92Å; F74-N89 WeakPolarHBondContact CB-O 3.3Å; F74-N89 PolarHBondContact N-O 2.83Å; F74-W91 AromaticContact CD2-NE1 3.95Å; F74-Q207 HydrophobicContact CD2-CB 4.14Å; F74-Y208 WeakPolarHBondContact O-CA 3.48Å; F74-T209 PolarHBondContact O-N 3.37Å
75	Q	95.4	Very high	94	Very high	75 Å²	75	37.2 Å²	37.2	35%	0.35	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	141.5	179.9	-169.3	-179.5	3.9	0	0	111.2	L77 N89	Q75-L77 HydrophobicContact CG-CD2 4.39Å; Q75-N89 HydrophobicContact CB-CB 4.39Å; Q75-N89 PolarHBondContact N-O 3.21Å; Q75-N89 PolarHBondContact O-N 3.27Å
76	L	95.6	Very high	94	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	109.6	162.2	179	69.7	0	0	0	107.6	L86 I88 W214 L244	L76-L86 HydrophobicContact CD1-CD1 3.36Å; L76-I88 HydrophobicContact CD1-CG2 3.74Å; L76-W214 HydrophobicContact CD2-CB 3.48Å; L76-W214 VanDerWaalsContact CD2-CB 3.48Å; L76-W214 HydrophobicContact CD2-CG 3.85Å; L76-L244 HydrophobicContact CD1-CD1 4.33Å; L76-L244 HydrophobicContact CD2-CD1 4.17Å; L76-L244 HydrophobicContact CD2-CD2 4.11Å
77	L	93.8	Very high	94	Very high	75 Å²	75	35.1 Å²	35.1	39%	0.393	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-51.9	-174.3	-69.9	172.9	0	0	0	111	Q75 T87 N89 I159	Q75-L77 HydrophobicContact CG-CD2 4.39Å; L77-T87 HydrophobicContact CB-CG2 4.03Å; L77-T87 WeakPolarHBondContact CB-O 3.38Å; L77-T87 HydrophobicContact CD1-CG2 3.89Å; L77-T87 PolarHBondContact N-O 3.45Å; L77-N89 HydrophobicContact CD1-CB 4Å; L77-N89 HydrophobicContact CG-CB 4.11Å; L77-I159 HydrophobicContact CD1-CD1 4.35Å; L77-I159 HydrophobicContact CD1-CG1 4.34Å; L77-I159 HydrophobicContact CD1-CG2 4.07Å
78	D	93.3	Very high	94	Very high	83 Å²	83	35.2 Å²	35.2	44%	0.444	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	151.4	-177.4	-165	15.6	0	0	0	111.3	T87	D78-T87 PolarHBondContact N-O 2.92Å; D78-T87 PolarHBondContact O-N 3.08Å
79	L	93.3	Very high	93.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	92	166.6	180	61.9	0	0	0	107.2	E81 L86 C164 I166 Q176 W214 L244	L79-E81 PolarHBondContact O-N 3.03Å; L79-E81 VanDerWaalsContact O-OE2 3.11Å; L79-L86 HydrophobicContact CD1-CB 3.89Å; L79-L86 HydrophobicContact CD1-CD1 4.03Å; L79-C164 HydrophobicContact CD1-CB 4.22Å; L79-I166 HydrophobicContact CD1-CD1 3.91Å; L79-I166 HydrophobicContact CD2-CD1 4.04Å; L79-I166 HydrophobicContact CG-CD1 4.09Å; L79-Q176 HydrophobicContact CD2-CB 4.13Å; L79-Q176 HydrophobicContact CD2-CG 4.1Å; L79-W214 HydrophobicContact CB-CZ2 4.29Å; L79-W214 HydrophobicContact CD2-CH2 3.79Å; L79-W214 HydrophobicContact CD2-CZ2 3.67Å; L79-W214 HydrophobicContact CD2-CZ3 4.3Å; L79-W214 HydrophobicContact CG-CZ2 4.37Å; L79-L244 HydrophobicContact CD2-CD1 4.11Å
80	D	91.4	Very high	93.9	Very high	42 Å²	42	36.5 Å²	36.5	23%	0.225	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	98.3	180	-177.7	-19.5	0	0	0	108.7	K82 N83 Q84 I85	D80-K82 PolarHBondContact O-N 2.93Å; D80-K82 WeakPolarHBondContact OD1-CA 3.48Å; D80-K82 WeakPolarHBondContact OD1-CB 3.46Å; D80-K82 PolarHBondContact OD1-N 3.48Å; D80-N83 PolarHBondContact OD1-N 3.47Å; D80-N83 WeakPolarHBondContact OD2-CB 3.26Å; D80-N83 PolarHBondContact OD2-ND2 3.47Å; D80-Q84 WeakPolarHBondContact O-CA 3.5Å; D80-Q84 PolarHBondContact O-N 3.32Å; D80-I85 HydrophobicContact CB-CB 4.48Å; D80-I85 PolarHBondContact N-O 3.04Å; D80-I85 PolarHBondContact O-N 3Å
81	E	88.2	Confident	93.9	Very high	24 Å²	24	39.8 Å²	39.8	11%	0.112	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-27.9	-177.9	-56.1	94.7	150.9	0	0	111.9	L79 I166 W214 R246 P302	L79-E81 PolarHBondContact O-N 3.03Å; L79-E81 VanDerWaalsContact O-OE2 3.11Å; E81-I166 HydrophobicContact CB-CG1 4.49Å; E81-I166 HydrophobicContact CB-CG2 4.25Å; E81-I166 HydrophobicContact CG-CG2 4.28Å; E81-W214 WeakPolarHBondContact OE1-CZ2 3.39Å; E81-R246 IonicContact OE1-CZ 3.63Å; E81-R246 IonicContact OE1-NH1 3.83Å; E81-R246 PolarHBondContact OE1-NH1 3.45Å; E81-R246 IonicContact OE1-NH2 3.89Å; E81-R246 PolarHBondContact OE1-NH2 3.19Å; E81-P302 WeakPolarHBondContact O-CB 3.43Å; E81-P302 VanDerWaalsContact O-CG 3.26Å; E81-P302 WeakPolarHBondContact O-CG 3.29Å
82	K	84.6	Confident	93.9	Very high	122 Å²	122	39.6 Å²	39.6	53%	0.53	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-47.5	-177.8	179.5	-172.8	173.2	-170.8	0	111.4	D80	D80-K82 PolarHBondContact O-N 2.93Å; D80-K82 WeakPolarHBondContact OD1-CA 3.48Å; D80-K82 WeakPolarHBondContact OD1-CB 3.46Å; D80-K82 PolarHBondContact OD1-N 3.48Å
83	N	87.5	Confident	93.9	Very high	98 Å²	98	42 Å²	42	52%	0.524	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.3	179.5	-66.2	-42.3	0	0	0	113.1	D80 I85	D80-N83 PolarHBondContact OD1-N 3.47Å; D80-N83 WeakPolarHBondContact OD2-CB 3.26Å; D80-N83 PolarHBondContact OD2-ND2 3.47Å; N83-I85 HydrophobicContact CB-CD1 3.9Å; N83-I85 HydrophobicContact CB-CG1 4.08Å
84	Q	91.2	Very high	93.9	Very high	56 Å²	56	41.8 Å²	41.8	26%	0.262	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	42.2	-177.1	-60	-174.2	-19.9	0	0	112.9	D80 N163 C164 I166	D80-Q84 WeakPolarHBondContact O-CA 3.5Å; D80-Q84 PolarHBondContact O-N 3.32Å; Q84-N163 PolarHBondContact O-OD1 3.01Å; Q84-C164 WeakPolarHBondContact CB-O 3.15Å; Q84-C164 PolarHBondContact O-N 3.28Å; Q84-I166 HydrophobicContact CG-CG1 4.21Å
85	I	94.1	Very high	94	Very high	36 Å²	36	40.6 Å²	40.6	19%	0.185	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.2	-175.3	-60.4	174.8	0	0	0	110.7	D80 N83 A132 K161 S162	D80-I85 HydrophobicContact CB-CB 4.48Å; D80-I85 PolarHBondContact N-O 3.04Å; D80-I85 PolarHBondContact O-N 3Å; N83-I85 HydrophobicContact CB-CD1 3.9Å; N83-I85 HydrophobicContact CB-CG1 4.08Å; I85-A132 HydrophobicContact CD1-CB 4.08Å; I85-A132 HydrophobicContact CG1-CB 3.93Å; I85-A132 HydrophobicContact CG2-CB 4.33Å; I85-K161 HydrophobicContact CG2-CB 3.85Å; I85-K161 HydrophobicContact CG2-CD 4.25Å; I85-K161 HydrophobicContact CG2-CG 4.35Å; I85-S162 WeakPolarHBondContact CA-O 3.3Å
86	L	95.8	Very high	94	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.5	168.6	171.4	70.5	0	0	0	109.5	L76 L79 I88 K161 S162 C164 C178 L180 L242 L244	L76-L86 HydrophobicContact CD1-CD1 3.36Å; L79-L86 HydrophobicContact CD1-CB 3.89Å; L79-L86 HydrophobicContact CD1-CD1 4.03Å; L86-I88 HydrophobicContact CD1-CG2 3.91Å; L86-I88 HydrophobicContact CD2-CG2 4.08Å; L86-I88 HydrophobicContact CG-CG2 3.94Å; L86-K161 CarbonylContact O-C 3.53Å; L86-K161 VanDerWaalsContact O-CA 3.24Å; L86-K161 WeakPolarHBondContact O-CA 3.22Å; L86-S162 PolarHBondContact N-O 3.32Å; L86-S162 PolarHBondContact O-N 3Å; L86-C164 HydrophobicContact CB-CB 4.01Å; L86-C178 HydrophobicContact CB-CB 4.35Å; L86-C178 HydrophobicContact CD2-CB 3.52Å; L86-C178 HydrophobicContact CG-CB 4.39Å; L86-L180 HydrophobicContact CD2-CD1 4.14Å; L86-L242 HydrophobicContact CD2-CD1 3.96Å; L86-L244 HydrophobicContact CD1-CD1 4.29Å
87	T	96.3	Very high	94.1	Very high	21 Å²	21	41.3 Å²	41.3	13%	0.129	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.1	173.4	-54.6	0	0	0	0	110.9	L77 D78 I159 F160 K161	L77-T87 HydrophobicContact CB-CG2 4.03Å; L77-T87 WeakPolarHBondContact CB-O 3.38Å; L77-T87 HydrophobicContact CD1-CG2 3.89Å; L77-T87 PolarHBondContact N-O 3.45Å; D78-T87 PolarHBondContact N-O 2.92Å; D78-T87 PolarHBondContact O-N 3.08Å; T87-I159 HydrophobicContact CG2-CG2 3.81Å; T87-F160 WeakPolarHBondContact CA-O 3.43Å; T87-K161 HydrophobicContact CG2-CG 4.06Å
88	I	96.4	Very high	94.2	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.7	179.8	58.6	173.6	0	0	0	112.1	L73 L76 L86 V90 I159 F160 L180 L242	L73-I88 HydrophobicContact CD1-CB 4.04Å; L73-I88 HydrophobicContact CD1-CG2 4.15Å; L76-I88 HydrophobicContact CD1-CG2 3.74Å; L86-I88 HydrophobicContact CD1-CG2 3.91Å; L86-I88 HydrophobicContact CD2-CG2 4.08Å; L86-I88 HydrophobicContact CG-CG2 3.94Å; I88-V90 HydrophobicContact CB-CG1 4.16Å; I88-V90 HydrophobicContact CD1-CG1 3.55Å; I88-V90 HydrophobicContact CG1-CG1 3.86Å; I88-I159 WeakPolarHBondContact O-CA 3.37Å; I88-F160 HydrophobicContact CG1-CB 4.13Å; I88-F160 PolarHBondContact N-O 3.42Å; I88-F160 PolarHBondContact O-N 3.32Å; I88-L180 HydrophobicContact CD1-CD1 3.77Å; I88-L180 HydrophobicContact CD1-CD2 3.53Å; I88-L180 HydrophobicContact CD1-CG 4.32Å; I88-L180 HydrophobicContact CG1-CD2 4.2Å; I88-L242 HydrophobicContact CD1-CD1 4.38Å; I88-L242 HydrophobicContact CG2-CD1 4.18Å
89	N	96.1	Very high	94.2	Very high	34 Å²	34	35.9 Å²	35.9	18%	0.182	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.9	169.3	-174.1	12.3	0	0	0	109.1	F74 Q75 L77 A158	F74-N89 WeakPolarHBondContact CB-O 3.3Å; F74-N89 PolarHBondContact N-O 2.83Å; Q75-N89 HydrophobicContact CB-CB 4.39Å; Q75-N89 PolarHBondContact N-O 3.21Å; Q75-N89 PolarHBondContact O-N 3.27Å; L77-N89 HydrophobicContact CD1-CB 4Å; L77-N89 HydrophobicContact CG-CB 4.11Å; N89-A158 PolarHBondContact OD1-O 3.42Å
90	V	97	Very high	94.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	156.6	-173.5	-55.6	0	0	0	0	111.8	L71 S72 L73 I88 A158 F160	L71-V90 HydrophobicContact CD2-CG2 4.18Å; S72-V90 CarbonylContact O-C 3.51Å; S72-V90 VanDerWaalsContact O-CA 3.23Å; S72-V90 WeakPolarHBondContact O-CA 3.46Å; S72-V90 WeakPolarHBondContact O-CB 3.19Å; L73-V90 HydrophobicContact CD1-CG1 3.88Å; I88-V90 HydrophobicContact CB-CG1 4.16Å; I88-V90 HydrophobicContact CD1-CG1 3.55Å; I88-V90 HydrophobicContact CG1-CG1 3.86Å; V90-A158 HydrophobicContact CG2-CB 4.31Å; V90-A158 PolarHBondContact N-O 3.07Å; V90-A158 PolarHBondContact O-N 3.11Å; V90-F160 HydrophobicContact CG2-CD2 3.37Å; V90-F160 HydrophobicContact CG2-CE2 3.42Å; V90-F160 VanDerWaalsContact CG2-CE2 3.42Å
91	W	96.3	Very high	94.3	Very high	81 Å²	81	37 Å²	37	31%	0.307	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116	158.9	-57	99.8	0	0	0	108.8	S72 F74 K93 P157 Q207	S72-W91 PolarHBondContact N-O 3.42Å; S72-W91 PolarHBondContact O-N 3.32Å; F74-W91 AromaticContact CD2-NE1 3.95Å; W91-K93 PolarHBondContact O-N 3.39Å; W91-P157 HydrophobicContact CD2-CB 4.4Å; W91-P157 HydrophobicContact CE3-CB 3.73Å; W91-P157 HydrophobicContact CE3-CG 4.2Å; W91-P157 HydrophobicContact CH2-CB 4Å; W91-P157 HydrophobicContact CH2-CG 4.16Å; W91-P157 HydrophobicContact CZ3-CB 3.52Å; W91-P157 HydrophobicContact CZ3-CG 3.6Å; W91-Q207 VanDerWaalsContact NE1-OE1 3.12Å
92	A	96.5	Very high	94.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	107.1	173.3	0	0	0	0	0	108.2	Y69 L71 Y94 S155 P156 F160	Y69-A92 HydrophobicContact CE2-CB 4.17Å; L71-A92 HydrophobicContact CD2-CB 4.37Å; A92-Y94 HydrophobicContact CB-CE2 3.78Å; A92-Y94 WeakPolarHBondContact O-CD2 3.37Å; A92-S155 WeakPolarHBondContact O-CA 3.42Å; A92-P156 HydrophobicContact CB-CG 4.49Å; A92-P156 PolarHBondContact N-O 3.29Å; A92-P156 VanDerWaalsContact N-O 3.09Å; A92-P156 VanDerWaalsContact O-CD 3.23Å; A92-P156 WeakPolarHBondContact O-CD 3.32Å; A92-F160 HydrophobicContact CB-CE2 4.32Å; A92-F160 HydrophobicContact CB-CZ 4.36Å
93	K	96.5	Very high	95.1	Very high	52 Å²	52	37.6 Å²	37.6	23%	0.226	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.5	-176.4	-63	173.8	178.5	174.5	0	109.8	Y69 G70 W91 F153 S155 L197 D204	Y69-K93 WeakPolarHBondContact CA-O 3.26Å; Y69-K93 WeakPolarHBondContact CD2-O 3.43Å; G70-K93 PolarHBondContact N-O 2.88Å; G70-K93 PolarHBondContact O-N 3.36Å; W91-K93 PolarHBondContact O-N 3.39Å; K93-F153 HydrophobicContact CB-CE2 4.39Å; K93-F153 HydrophobicContact CG-CZ 4.43Å; K93-S155 WeakPolarHBondContact CG-OG 3.46Å; K93-L197 HydrophobicContact CB-CD2 3.51Å; K93-L197 HydrophobicContact CD-CD2 3.99Å; K93-L197 HydrophobicContact CG-CD2 4.36Å; K93-D204 IonicContact NZ-OD2 3.18Å; K93-D204 PolarHBondContact NZ-OD2 2.99Å
94	Y	97	Very high	95.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.3	177.6	-60.3	-94.2	0	0	0	109.8	V67 G68 Y69 A92 P124 I126 K139 F153 W154 P156	V67-Y94 HydrophobicContact CG1-CD1 4.31Å; G68-Y94 CarbonylContact O-C 3.55Å; G68-Y94 WeakPolarHBondContact O-CA 3.47Å; Y69-Y94 AromaticContact CD2-CD1 3.6Å; Y69-Y94 HydrophobicContact CD2-CD1 3.6Å; Y69-Y94 AromaticContact CD2-CE1 3.34Å; Y69-Y94 HydrophobicContact CD2-CE1 3.34Å; Y69-Y94 HydrophobicContact CD2-CE2 4.34Å; Y69-Y94 HydrophobicContact CD2-CG 4.18Å; Y69-Y94 AromaticContact CD2-CZ 3.75Å; Y69-Y94 HydrophobicContact CE2-CD1 4.03Å; Y69-Y94 HydrophobicContact CE2-CD2 4.41Å; Y69-Y94 AromaticContact CE2-CE1 3.36Å; Y69-Y94 HydrophobicContact CE2-CE1 3.36Å; Y69-Y94 AromaticContact CE2-CE2 3.84Å; Y69-Y94 HydrophobicContact CE2-CE2 3.84Å; Y69-Y94 HydrophobicContact CE2-CG 4.49Å; Y69-Y94 AromaticContact CE2-CZ 3.25Å; Y69-Y94 VanDerWaalsContact CE2-OH 3.3Å; Y69-Y94 WeakPolarHBondContact CE2-OH 3.46Å; A92-Y94 HydrophobicContact CB-CE2 3.78Å; A92-Y94 WeakPolarHBondContact O-CD2 3.37Å; Y94-P124 HydrophobicContact CD1-CG 4.2Å; Y94-I126 HydrophobicContact CD1-CG1 4.46Å; Y94-I126 HydrophobicContact CE1-CB 3.81Å; Y94-I126 HydrophobicContact CE1-CG1 3.85Å; Y94-I126 HydrophobicContact CE1-CG2 4.45Å; Y94-K139 VanDerWaalsContact OH-CE 3.31Å; Y94-K139 WeakPolarHBondContact OH-CE 3.31Å; Y94-K139 PolarHBondContact OH-NZ 3.45Å; Y94-F153 WeakPolarHBondContact O-CA 3.4Å; Y94-F153 WeakPolarHBondContact O-CD2 3.26Å; Y94-W154 HydrophobicContact CD2-CD2 4.2Å; Y94-W154 AromaticContact CD2-CE3 3.58Å; Y94-W154 HydrophobicContact CD2-CE3 3.58Å; Y94-W154 HydrophobicContact CD2-CZ3 4.19Å; Y94-W154 WeakPolarHBondContact CD2-O 3.46Å; Y94-W154 AromaticContact CE2-CE3 3.93Å; Y94-W154 HydrophobicContact CE2-CE3 3.93Å; Y94-W154 HydrophobicContact CE2-CZ3 4.07Å; Y94-W154 AromaticContact CG-CE3 3.96Å; Y94-W154 HydrophobicContact CG-CE3 3.96Å; Y94-W154 PolarHBondContact N-O 3.03Å; Y94-W154 PolarHBondContact O-N 3.21Å; Y94-P156 HydrophobicContact CE2-CG 4.12Å
95	T	97.3	Very high	95.7	Very high	45 Å²	45	35.2 Å²	35.2	28%	0.276	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	136.6	165.5	-165.5	0	0	0	0	110.3	V67 G68 V152 L197	V67-T95 CarbonylContact C-O 3.56Å; V67-T95 WeakPolarHBondContact CA-O 3.24Å; G68-T95 PolarHBondContact N-O 3.04Å; G68-T95 PolarHBondContact O-N 3.23Å; T95-V152 VanDerWaalsContact CA-O 3.28Å; T95-V152 WeakPolarHBondContact CA-O 3.41Å; T95-L197 HydrophobicContact CG2-CD1 3.26Å
96	W	96.8	Very high	95.7	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	169.3	170.8	68.7	97.6	0	0	0	110.2	V65 V67 W122 T123 P124 L144 R151 V152 W154	V65-W96 HydrophobicContact CG1-CB 4.33Å; V67-W96 HydrophobicContact CG2-CB 4.32Å; W96-W122 AromaticContact CD1-CZ3 3.95Å; W96-W122 HydrophobicContact CG-CZ3 4.39Å; W96-W122 AromaticContact NE1-CE3 3.9Å; W96-W122 AromaticContact NE1-CZ3 3.86Å; W96-T123 HydrophobicContact CH2-CG2 4.43Å; W96-P124 HydrophobicContact CE3-CG 4.28Å; W96-P124 HydrophobicContact CZ3-CG 4.28Å; W96-L144 HydrophobicContact CH2-CD2 3.41Å; W96-L144 VanDerWaalsContact CH2-CD2 3.41Å; W96-L144 HydrophobicContact CZ2-CD2 3.9Å; W96-L144 HydrophobicContact CZ3-CD2 4.41Å; W96-R151 WeakPolarHBondContact O-CA 3.24Å; W96-V152 HydrophobicContact CD2-CB 3.95Å; W96-V152 HydrophobicContact CD2-CG1 4.3Å; W96-V152 HydrophobicContact CE3-CB 4.33Å; W96-V152 HydrophobicContact CE3-CG1 4.38Å; W96-V152 HydrophobicContact CG-CB 4.48Å; W96-V152 HydrophobicContact CH2-CB 4.29Å; W96-V152 HydrophobicContact CH2-CG1 3.57Å; W96-V152 HydrophobicContact CZ2-CB 3.88Å; W96-V152 HydrophobicContact CZ2-CG1 3.43Å; W96-V152 VanDerWaalsContact CZ2-CG1 3.43Å; W96-V152 HydrophobicContact CZ2-CG2 4.37Å; W96-V152 HydrophobicContact CZ3-CB 4.48Å; W96-V152 HydrophobicContact CZ3-CG1 4.03Å; W96-V152 PolarHBondContact N-O 2.99Å; W96-V152 VanDerWaalsContact N-O 3.12Å; W96-V152 PolarHBondContact O-N 3.17Å; W96-W154 HydrophobicContact CH2-CB 4.23Å; W96-W154 HydrophobicContact CH2-CE3 4.46Å; W96-W154 HydrophobicContact CZ3-CB 4.03Å; W96-W154 HydrophobicContact CZ3-CE3 4.48Å
97	I	96.7	Very high	95.6	Very high	91 Å²	91	41.7 Å²	41.7	47%	0.467	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.9	174.8	-58.1	177.9	0	0	0	108.4	G150 R151	I97-G150 CarbonylContact C-O 3.59Å; I97-G150 WeakPolarHBondContact CA-O 3.34Å; I97-R151 HydrophobicContact CG1-CG 4.13Å
98	D	95.8	Very high	95.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.			trans	-96.3	117	170.5	-169.5	-44.5	0	0	0	109.2	Y48 P57 L100 L101 G150 V152	Y48-D98 VanDerWaalsContact CE2-OD2 3.25Å; Y48-D98 WeakPolarHBondContact CE2-OD2 3.35Å; Y48-D98 PolarHBondContact OH-OD2 3.32Å; P57-D98 HydrophobicContact CB-CB 4.11Å; P57-D98 WeakPolarHBondContact CB-OD1 3Å; P57-D98 WeakPolarHBondContact CB-OD2 3.41Å; P57-D98 HydrophobicContact CG-CB 4.39Å; D98-L100 VanDerWaalsContact C-N 3.25Å; D98-L100 PolarHBondContact O-N 3.46Å; D98-L100 WeakPolarHBondContact OD1-CA 3.44Å; D98-L100 WeakPolarHBondContact OD1-CB 3.41Å; D98-L100 PolarHBondContact OD1-N 2.86Å; D98-L101 HydrophobicContact CB-CB 4.21Å; D98-L101 HydrophobicContact CB-CD1 3.99Å; D98-L101 HydrophobicContact CB-CG 4.2Å; D98-L101 PolarHBondContact OD1-N 3.31Å; D98-G150 PolarHBondContact N-O 2.93Å; D98-G150 WeakPolarHBondContact O-CA 3.48Å; D98-V152 HydrophobicContact CB-CG2 3.94Å
99	Q	93.6	Very high	95.3	Very high	44 Å²	44	45.9 Å²	45.9	21%	0.206	24%	0.239	C	C	.	.	S	Bend	trans	-75.2	-14.9	-176.1	-59	-177	8.8	0	0	113.5	P57 K59	P57-Q99 PolarHBondContact O-N 3.04Å; K59-Q99 VanDerWaalsContact CB-OE1 3.29Å; K59-Q99 HydrophobicContact CD-CB 4.49Å; K59-Q99 HydrophobicContact CG-CB 4.22Å; K59-Q99 VanDerWaalsContact CG-OE1 3.23Å
100	L	92.6	Very high	95.1	Very high	65 Å²	65	49.9 Å²	49.9	34%	0.34	26%	0.26	S	S	.	.	S	Bend	trans	-90.3	-23.5	-179	-55.6	176.3	0	0	0	111.8	Y48 A51 D98 R102	Y48-L100 HydrophobicContact CD2-CB 3.85Å; Y48-L100 HydrophobicContact CD2-CD1 4.24Å; Y48-L100 HydrophobicContact CE2-CB 3.83Å; Y48-L100 HydrophobicContact CE2-CD1 3.94Å; Y48-L100 HydrophobicContact CE2-CG 4.47Å; A51-L100 HydrophobicContact CB-CD1 4.03Å; A51-L100 HydrophobicContact CB-CD2 4.43Å; D98-L100 VanDerWaalsContact C-N 3.25Å; D98-L100 PolarHBondContact O-N 3.46Å; D98-L100 WeakPolarHBondContact OD1-CA 3.44Å; D98-L100 WeakPolarHBondContact OD1-CB 3.41Å; D98-L100 PolarHBondContact OD1-N 2.86Å; L100-R102 PolarHBondContact O-N 3.46Å
101	L	94.7	Very high	95	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.268	C	S	.	.	S	Bend	trans	-94	57.1	-179.5	-63	175.3	0	0	0	112.7	L44 Y48 D98 I116 I121 V146 G150 V152	L44-L101 HydrophobicContact CB-CD2 4.46Å; Y48-L101 HydrophobicContact CD2-CD2 3.64Å; Y48-L101 HydrophobicContact CD2-CG 3.95Å; Y48-L101 HydrophobicContact CE2-CD1 4.28Å; Y48-L101 HydrophobicContact CE2-CD2 4.08Å; Y48-L101 HydrophobicContact CE2-CG 3.88Å; Y48-L101 HydrophobicContact CG-CD2 4.49Å; D98-L101 HydrophobicContact CB-CB 4.21Å; D98-L101 HydrophobicContact CB-CD1 3.99Å; D98-L101 HydrophobicContact CB-CG 4.2Å; D98-L101 PolarHBondContact OD1-N 3.31Å; L101-I116 HydrophobicContact CD2-CD1 4.46Å; L101-I121 HydrophobicContact CD1-CD1 3.96Å; L101-I121 HydrophobicContact CD1-CG2 4.09Å; L101-I121 HydrophobicContact CD2-CG2 4.31Å; L101-V146 HydrophobicContact CB-CG1 4Å; L101-V146 HydrophobicContact CD1-CG1 4.16Å; L101-V146 HydrophobicContact CD1-CG2 4.37Å; L101-G150 WeakPolarHBondContact O-CA 3.44Å; L101-V152 HydrophobicContact CD1-CG2 4.2Å
102	R	94.8	Very high	95	Very high	135 Å²	135	55.3 Å²	55.3	51%	0.509	28%	0.283	S	S	.	.			trans	-118.3	141	176.6	-65.7	-174.7	176.8	177.4	3.9	111.4	L100 M149	L100-R102 PolarHBondContact O-N 3.46Å; R102-M149 PolarHBondContact NE-O 3.45Å
103	W	95	Very high	95	Very high	24 Å²	24	60.6 Å²	60.6	9%	0.091	31%	0.308	C	S	.	.			trans	-145.2	163	173	69.6	96.3	0	0	0	110.9	L40 L44 P105 Y108 I111 R112 V114 V146 D147 Y148	L40-W103 HydrophobicContact CD1-CB 3.9Å; L40-W103 HydrophobicContact CD1-CD2 4.04Å; L40-W103 HydrophobicContact CD1-CG 3.67Å; L40-W103 HydrophobicContact CD2-CD2 4.13Å; L40-W103 HydrophobicContact CD2-CG 4.21Å; L40-W103 HydrophobicContact CD2-CZ2 4.19Å; L44-W103 HydrophobicContact CD1-CD2 4.47Å; L44-W103 HydrophobicContact CD1-CE3 3.84Å; L44-W103 HydrophobicContact CD1-CZ3 4.03Å; L44-W103 HydrophobicContact CD2-CE3 4.19Å; W103-P105 WeakPolarHBondContact O-CD 3.44Å; W103-Y108 HydrophobicContact CB-CE2 4.34Å; W103-Y108 AromaticContact CD1-CD2 3.99Å; W103-I111 PolarHBondContact NE1-O 3.23Å; W103-R112 WeakPolarHBondContact CZ2-O 3.33Å; W103-V114 HydrophobicContact CH2-CG1 4.44Å; W103-V114 HydrophobicContact CH2-CG2 3.73Å; W103-V114 HydrophobicContact CZ2-CG1 4.23Å; W103-V114 HydrophobicContact CZ2-CG2 4.34Å; W103-V114 HydrophobicContact CZ3-CG2 4.17Å; W103-V146 HydrophobicContact CH2-CG1 4.45Å; W103-V146 WeakPolarHBondContact CH2-O 3.37Å; W103-V146 HydrophobicContact CZ3-CG1 4.08Å; W103-D147 WeakPolarHBondContact CZ3-O 3.43Å; W103-Y148 VanDerWaalsContact CH2-CA 3.45Å; W103-Y148 VanDerWaalsContact CH2-N 3.3Å; W103-Y148 PolarHBondContact N-O 2.85Å
104	D	95.9	Very high	95	Very high	88 Å²	88	58.2 Å²	58.2	47%	0.471	30%	0.297	S	S	.	.			trans	-92	115.6	170.8	-178.3	0.1	0	0	0	109.3	A106 N107	D104-A106 PolarHBondContact O-N 3.19Å; D104-A106 VanDerWaalsContact O-N 3.15Å; D104-A106 WeakPolarHBondContact OD1-CB 3.29Å; D104-A106 PolarHBondContact OD1-N 3.47Å; D104-N107 PolarHBondContact O-N 2.77Å
105	P	95.3	Very high	95	Very high	16 Å²	16	66.8 Å²	66.8	10%	0.104	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-54.7	-29.5	177.8	-27	35.9	0	0	0	113.8	W103 N107 Y108 N110 R112 Y148	W103-P105 WeakPolarHBondContact O-CD 3.44Å; P105-N107 PolarHBondContact O-N 2.96Å; P105-Y108 CarbonylContact O-C 3.55Å; P105-Y108 PolarHBondContact O-N 2.88Å; P105-Y108 VanDerWaalsContact O-N 3.09Å; P105-N110 VanDerWaalsContact O-CA 3.25Å; P105-N110 WeakPolarHBondContact O-CA 3.29Å; P105-N110 PolarHBondContact O-N 3.35Å; P105-R112 HydrophobicContact CB-CG 4.49Å; P105-R112 HydrophobicContact CG-CG 4.39Å; P105-Y148 HydrophobicContact CG-CD1 4.15Å; P105-Y148 HydrophobicContact CG-CD2 3.76Å; P105-Y148 HydrophobicContact CG-CE2 4.38Å; P105-Y148 HydrophobicContact CG-CG 3.62Å
106	A	94.5	Very high	94.9	Very high	67 Å²	67	64.7 Å²	64.7	55%	0.554	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-59.5	-30	-178.8	0	0	0	0	0	112.7	D104 Y108	D104-A106 PolarHBondContact O-N 3.19Å; D104-A106 VanDerWaalsContact O-N 3.15Å; D104-A106 WeakPolarHBondContact OD1-CB 3.29Å; D104-A106 PolarHBondContact OD1-N 3.47Å; A106-Y108 VanDerWaalsContact C-N 3.35Å
107	N	92.9	Very high	94.8	Very high	105 Å²	105	66.2 Å²	66.2	56%	0.561	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-81.2	-12.3	-178.9	-67.3	-32	0	0	0	114	R39 D104 P105	R39-N107 PolarHBondContact NH2-O 3.41Å; D104-N107 PolarHBondContact O-N 2.77Å; P105-N107 PolarHBondContact O-N 2.96Å
108	Y	92.7	Very high	94.6	Very high	23 Å²	23	63.2 Å²	63.2	9%	0.09	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-134.4	50.5	-172.2	-56.8	-84.9	0	0	0	111.7	L40 Q43 W103 P105 A106 N110 I111	L40-Y108 HydrophobicContact CB-CD1 3.62Å; L40-Y108 HydrophobicContact CB-CE1 3.96Å; L40-Y108 HydrophobicContact CB-CG 3.97Å; L40-Y108 HydrophobicContact CD1-CD1 4.19Å; L40-Y108 HydrophobicContact CD1-CD2 3.81Å; L40-Y108 HydrophobicContact CD1-CE1 4.11Å; L40-Y108 HydrophobicContact CD1-CE2 3.73Å; L40-Y108 HydrophobicContact CD1-CG 4.04Å; L40-Y108 HydrophobicContact CD2-CG 4.26Å; L40-Y108 HydrophobicContact CG-CD1 4.38Å; L40-Y108 HydrophobicContact CG-CG 4.31Å; Q43-Y108 PolarHBondContact NE2-OH 3.26Å; Q43-Y108 VanDerWaalsContact NE2-OH 3.17Å; Q43-Y108 PolarHBondContact OE1-OH 3.38Å; W103-Y108 HydrophobicContact CB-CE2 4.34Å; W103-Y108 AromaticContact CD1-CD2 3.99Å; P105-Y108 CarbonylContact O-C 3.55Å; P105-Y108 PolarHBondContact O-N 2.88Å; P105-Y108 VanDerWaalsContact O-N 3.09Å; A106-Y108 VanDerWaalsContact C-N 3.35Å; Y108-N110 PolarHBondContact O-N 3.48Å; Y108-I111 WeakPolarHBondContact O-CB 3.38Å; Y108-I111 VanDerWaalsContact O-CD1 3.28Å; Y108-I111 WeakPolarHBondContact O-CD1 3.22Å; Y108-I111 WeakPolarHBondContact O-CG1 3.39Å; Y108-I111 PolarHBondContact O-N 2.95Å; Y108-I111 VanDerWaalsContact O-N 3.12Å
109	S	92.6	Very high	94.5	Very high	88 Å²	88	66.9 Å²	66.9	62%	0.615	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	33.4	174.6	-48.8	0	0	0	0	114	S36 I111	S36-S109 WeakPolarHBondContact CB-OG 3.48Å; S36-S109 PolarHBondContact OG-OG 3.02Å; S36-S109 VanDerWaalsContact OG-OG 3.07Å; S109-I111 PolarHBondContact O-N 2.98Å
110	N	93.8	Very high	94.5	Very high	118 Å²	118	66.8 Å²	66.8	63%	0.631	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	26	-177.3	-64.3	-38.6	0	0	0	115.1	P105 Y108 R112	P105-N110 VanDerWaalsContact O-CA 3.25Å; P105-N110 WeakPolarHBondContact O-CA 3.29Å; P105-N110 PolarHBondContact O-N 3.35Å; Y108-N110 PolarHBondContact O-N 3.48Å; N110-R112 PolarHBondContact O-N 3.28Å
111	I	94.8	Very high	94.5	Very high	32 Å²	32	63.9 Å²	63.9	16%	0.164	33%	0.327	C	S	.	.			trans	-66.6	118.8	172	-64.5	165.3	0	0	0	109	E37 L40 W103 Y108 S109 E113 V114	E37-I111 VanDerWaalsContact CA-CD1 3.47Å; E37-I111 HydrophobicContact CB-CD1 3.62Å; E37-I111 HydrophobicContact CG-CD1 4.28Å; L40-I111 HydrophobicContact CD2-CB 4.35Å; L40-I111 HydrophobicContact CD2-CG2 4.01Å; W103-I111 PolarHBondContact NE1-O 3.23Å; Y108-I111 WeakPolarHBondContact O-CB 3.38Å; Y108-I111 VanDerWaalsContact O-CD1 3.28Å; Y108-I111 WeakPolarHBondContact O-CD1 3.22Å; Y108-I111 WeakPolarHBondContact O-CG1 3.39Å; Y108-I111 PolarHBondContact O-N 2.95Å; Y108-I111 VanDerWaalsContact O-N 3.12Å; S109-I111 PolarHBondContact O-N 2.98Å; I111-E113 WeakPolarHBondContact CG2-O 3.31Å; I111-V114 HydrophobicContact CG2-CG1 3.77Å
112	R	95.9	Very high	94.6	Very high	164 Å²	164	64.7 Å²	64.7	62%	0.619	33%	0.329	S	S	*	.			trans	-101	-25.3	-179	-66.6	-176	-178.1	-174.8	-0.8	113.7	W103 P105 N110 D147 Y148	W103-R112 WeakPolarHBondContact CZ2-O 3.33Å; P105-R112 HydrophobicContact CB-CG 4.49Å; P105-R112 HydrophobicContact CG-CG 4.39Å; N110-R112 PolarHBondContact O-N 3.28Å; R112-D147 CarbonylContact O-C 3.59Å; R112-D147 WeakPolarHBondContact O-CA 3.47Å; R112-Y148 HydrophobicContact CB-CD1 3.97Å; R112-Y148 HydrophobicContact CG-CD1 4.16Å; R112-Y148 HydrophobicContact CG-CE1 4.42Å; R112-Y148 PolarHBondContact O-N 3.41Å
113	E	96.3	Very high	94.6	Very high	111 Å²	111	60.4 Å²	60.4	52%	0.519	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	143.5	-177.9	-66.6	-177.3	-173	0	0	110	I111 N145 V146	I111-E113 WeakPolarHBondContact CG2-O 3.31Å; E113-N145 PolarHBondContact OE2-ND2 3.17Å; E113-V146 CarbonylContact C-O 3.58Å; E113-V146 VanDerWaalsContact CA-O 3.25Å; E113-V146 WeakPolarHBondContact CA-O 3.49Å
114	V	96.3	Very high	94.6	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	151	176.6	-64.9	0	0	0	0	110.6	L40 I41 L44 W103 I111 I116 V146	L40-V114 HydrophobicContact CD2-CG1 3.63Å; L40-V114 HydrophobicContact CG-CG1 4.31Å; I41-V114 HydrophobicContact CD1-CB 4.3Å; I41-V114 HydrophobicContact CG1-CB 4.03Å; I41-V114 HydrophobicContact CG1-CG1 4.12Å; L44-V114 HydrophobicContact CD1-CG2 4.11Å; W103-V114 HydrophobicContact CH2-CG1 4.44Å; W103-V114 HydrophobicContact CH2-CG2 3.73Å; W103-V114 HydrophobicContact CZ2-CG1 4.23Å; W103-V114 HydrophobicContact CZ2-CG2 4.34Å; W103-V114 HydrophobicContact CZ3-CG2 4.17Å; I111-V114 HydrophobicContact CG2-CG1 3.77Å; V114-I116 HydrophobicContact CG2-CD1 3.98Å; V114-I116 HydrophobicContact CG2-CG1 4.08Å; V114-V146 HydrophobicContact CG2-CB 4.14Å; V114-V146 PolarHBondContact N-O 3.21Å; V114-V146 PolarHBondContact O-N 3.43Å
115	R	96.1	Very high	94.5	Very high	181 Å²	181	57.1 Å²	57.1	68%	0.683	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.3	177.9	-64	179.6	-173.9	170	2.2	110.8	M143 L144	R115-M143 HydrophobicContact CB-CB 4.34Å; R115-M143 HydrophobicContact CB-CE 4.44Å; R115-L144 VanDerWaalsContact CA-O 3.27Å; R115-L144 WeakPolarHBondContact CA-O 3.46Å
116	I	95	Very high	94.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	137.7	-176.1	-60	-176.4	0	0	0	109.1	L44 L101 V114 V120 I121 L144 V146	L44-I116 HydrophobicContact CD1-CD1 4.4Å; L101-I116 HydrophobicContact CD2-CD1 4.46Å; V114-I116 HydrophobicContact CG2-CD1 3.98Å; V114-I116 HydrophobicContact CG2-CG1 4.08Å; I116-V120 HydrophobicContact CG2-CG2 3.46Å; I116-V120 VanDerWaalsContact CG2-CG2 3.46Å; I116-I121 HydrophobicContact CG2-CD1 4.22Å; I116-I121 HydrophobicContact CG2-CG1 4.38Å; I116-I121 HydrophobicContact CG2-CG2 4.03Å; I116-L144 PolarHBondContact N-O 2.98Å; I116-L144 WeakPolarHBondContact O-CD1 3.07Å; I116-L144 PolarHBondContact O-N 3.04Å; I116-V146 HydrophobicContact CB-CG2 4.34Å; I116-V146 HydrophobicContact CD1-CB 4.44Å; I116-V146 HydrophobicContact CD1-CG2 4.04Å; I116-V146 HydrophobicContact CG1-CG2 4.27Å
117	P	95.2	Very high	94.4	Very high	37 Å²	37	55.3 Å²	55.3	24%	0.24	29%	0.285	C	S	.	.			trans	-72.5	148.8	177.8	25.7	-27.8	0	0	0	112	S119 V120 M143 L144	P117-S119 PolarHBondContact O-N 2.96Å; P117-V120 HydrophobicContact CG-CG1 4.11Å; P117-V120 HydrophobicContact CG-CG2 3.83Å; P117-V120 WeakPolarHBondContact O-CG2 3.34Å; P117-V120 PolarHBondContact O-N 2.77Å; P117-M143 HydrophobicContact CB-CE 4.09Å; P117-M143 HydrophobicContact CB-SD 3.79Å; P117-M143 HydrophobicContact CG-CE 4.27Å; P117-L144 VanDerWaalsContact C-CD1 3.5Å
118	P	93.5	Very high	94.5	Very high	27 Å²	27	50.5 Å²	50.5	18%	0.175	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-22	-179.6	21.4	-29.7	0	0	0	113.5	V120 T123 V142 L144 W154	P118-V120 VanDerWaalsContact C-N 3.28Å; P118-V120 PolarHBondContact O-N 3.4Å; P118-T123 HydrophobicContact CB-CG2 4.08Å; P118-V142 VanDerWaalsContact CD-O 3.29Å; P118-V142 WeakPolarHBondContact CD-O 3.48Å; P118-L144 HydrophobicContact CB-CD1 3.63Å; P118-L144 HydrophobicContact CG-CD1 4.19Å; P118-W154 HydrophobicContact CB-CZ2 4.42Å
119	S	92.8	Very high	94.5	Very high	78 Å²	78	52 Å²	52	55%	0.545	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.2	-177.5	60.3	0	0	0	0	114.4	K53 P117	K53-S119 WeakPolarHBondContact CE-O 3.37Å; K53-S119 PolarHBondContact NZ-O 3Å; P117-S119 PolarHBondContact O-N 2.96Å
120	V	93.5	Very high	94.6	Very high	42 Å²	42	49 Å²	49	26%	0.255	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-12.2	-175.5	-57.2	0	0	0	0	114	I45 I116 P117 P118	I45-V120 HydrophobicContact CD1-CG2 4.14Å; I45-V120 HydrophobicContact CG1-CG2 4.12Å; I45-V120 HydrophobicContact CG2-CB 4.5Å; I116-V120 HydrophobicContact CG2-CG2 3.46Å; I116-V120 VanDerWaalsContact CG2-CG2 3.46Å; P117-V120 HydrophobicContact CG-CG1 4.11Å; P117-V120 HydrophobicContact CG-CG2 3.83Å; P117-V120 WeakPolarHBondContact O-CG2 3.34Å; P117-V120 PolarHBondContact O-N 2.77Å; P118-V120 VanDerWaalsContact C-N 3.28Å; P118-V120 PolarHBondContact O-N 3.4Å
121	I	94.1	Very high	94.6	Very high	4 Å²	4	50 Å²	50	2%	0.021	24%	0.239	C	C	.	.	S	Bend	trans	-123.7	169.3	178.6	58	172.1	0	0	0	111.2	Y48 L101 I116 L144	Y48-I121 HydrophobicContact CD1-CB 4.48Å; Y48-I121 HydrophobicContact CD1-CG2 4.1Å; Y48-I121 HydrophobicContact CD2-CG2 4.29Å; Y48-I121 HydrophobicContact CE1-CB 3.99Å; Y48-I121 HydrophobicContact CE1-CG2 4.09Å; Y48-I121 HydrophobicContact CE2-CB 4.5Å; Y48-I121 HydrophobicContact CE2-CG2 4.26Å; Y48-I121 HydrophobicContact CG-CG2 4.18Å; L101-I121 HydrophobicContact CD1-CD1 3.96Å; L101-I121 HydrophobicContact CD1-CG2 4.09Å; L101-I121 HydrophobicContact CD2-CG2 4.31Å; I116-I121 HydrophobicContact CG2-CD1 4.22Å; I116-I121 HydrophobicContact CG2-CG1 4.38Å; I116-I121 HydrophobicContact CG2-CG2 4.03Å; I121-L144 HydrophobicContact CD1-CD1 4.25Å; I121-L144 HydrophobicContact CD1-CD2 4.01Å
122	W	95.3	Very high	94.5	Very high	17 Å²	17	50.2 Å²	50.2	6%	0.064	25%	0.246	C	C	.	.			trans	-69.8	138.8	172.2	177.5	90.2	0	0	0	110.7	Y48 G55 R56 P57 V65 W96 P124 Y187 L192	Y48-W122 VanDerWaalsContact OH-CB 3.25Å; Y48-W122 WeakPolarHBondContact OH-CB 3.24Å; Y48-W122 PolarHBondContact OH-N 3.14Å; G55-W122 VanDerWaalsContact O-CG 3.31Å; G55-W122 PolarHBondContact O-NE1 3.43Å; R56-W122 HydrophobicContact CG-CZ2 4.46Å; P57-W122 VanDerWaalsContact CD-CD2 3.49Å; P57-W122 HydrophobicContact CG-CD2 4.19Å; P57-W122 HydrophobicContact CG-CE3 3.58Å; P57-W122 HydrophobicContact CG-CZ3 3.87Å; V65-W122 HydrophobicContact CB-CH2 4.49Å; V65-W122 HydrophobicContact CG1-CH2 3.98Å; V65-W122 HydrophobicContact CG1-CZ3 4.13Å; W96-W122 AromaticContact CD1-CZ3 3.95Å; W96-W122 HydrophobicContact CG-CZ3 4.39Å; W96-W122 AromaticContact NE1-CE3 3.9Å; W96-W122 AromaticContact NE1-CZ3 3.86Å; W122-P124 HydrophobicContact CH2-CB 3.75Å; W122-P124 HydrophobicContact CZ2-CB 4.25Å; W122-P124 HydrophobicContact CZ3-CB 4.2Å; W122-P124 HydrophobicContact CZ3-CG 4.5Å; W122-Y187 AromaticContact CZ2-CE2 3.94Å; W122-Y187 HydrophobicContact CZ2-CE2 3.94Å; W122-Y187 PolarHBondContact NE1-OH 3.41Å; W122-L192 HydrophobicContact CH2-CD1 4.37Å
123	T	94.6	Very high	94.1	Very high	45 Å²	45	42.9 Å²	42.9	28%	0.276	22%	0.219	S	C	.	.			trans	-130.1	140.2	172.8	57.1	0	0	0	0	109.2	W96 P118 L144	W96-T123 HydrophobicContact CH2-CG2 4.43Å; P118-T123 HydrophobicContact CB-CG2 4.08Å; T123-L144 HydrophobicContact CG2-CD2 4.33Å
124	P	95.1	Very high	93.6	Very high	5 Å²	5	47 Å²	47	3%	0.032	24%	0.238	C	C	.	.			trans	-67.2	143.5	-179.3	28.8	-35.4	0	0	0	112.1	V67 Y94 W96 W122 I126 L192	V67-P124 HydrophobicContact CG1-CB 4.46Å; V67-P124 HydrophobicContact CG1-CG 4.11Å; V67-P124 HydrophobicContact CG2-CB 4.03Å; V67-P124 HydrophobicContact CG2-CG 4.3Å; Y94-P124 HydrophobicContact CD1-CG 4.2Å; W96-P124 HydrophobicContact CE3-CG 4.28Å; W96-P124 HydrophobicContact CZ3-CG 4.28Å; W122-P124 HydrophobicContact CH2-CB 3.75Å; W122-P124 HydrophobicContact CZ2-CB 4.25Å; W122-P124 HydrophobicContact CZ3-CB 4.2Å; W122-P124 HydrophobicContact CZ3-CG 4.5Å; P124-I126 VanDerWaalsContact C-N 3.25Å; P124-I126 HydrophobicContact CB-CD1 4.42Å; P124-I126 HydrophobicContact CB-CG1 4.16Å; P124-I126 PolarHBondContact O-N 3.17Å; P124-I126 VanDerWaalsContact O-N 3.11Å; P124-L192 HydrophobicContact CB-CD1 4.18Å
125	D	93.3	Very high	93.3	Very high	38 Å²	38	51.8 Å²	51.8	20%	0.203	26%	0.256	C	S	.	.			trans	-86.7	48.2	-177.8	67.7	-22.5	0	0	0	112.7	V127 S184 W185 T186 Y187	D125-V127 PolarHBondContact O-N 2.98Å; D125-S184 VanDerWaalsContact CG-OG 3.31Å; D125-S184 WeakPolarHBondContact OD1-CB 3.31Å; D125-S184 PolarHBondContact OD1-OG 3.02Å; D125-S184 PolarHBondContact OD2-OG 3.48Å; D125-W185 PolarHBondContact O-N 2.74Å; D125-W185 PolarHBondContact OD2-N 3.47Å; D125-T186 WeakPolarHBondContact OD2-CB 3.44Å; D125-T186 PolarHBondContact OD2-N 2.75Å; D125-T186 PolarHBondContact OD2-OG1 2.82Å; D125-Y187 WeakPolarHBondContact OD1-CD2 3.38Å
126	I	95.2	Very high	92.6	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	117.2	177.6	-48.5	-53.6	0	0	0	109.5	Y94 P124 K139 F182 A183 L192 L194	Y94-I126 HydrophobicContact CD1-CG1 4.46Å; Y94-I126 HydrophobicContact CE1-CB 3.81Å; Y94-I126 HydrophobicContact CE1-CG1 3.85Å; Y94-I126 HydrophobicContact CE1-CG2 4.45Å; P124-I126 VanDerWaalsContact C-N 3.25Å; P124-I126 HydrophobicContact CB-CD1 4.42Å; P124-I126 HydrophobicContact CB-CG1 4.16Å; P124-I126 PolarHBondContact O-N 3.17Å; P124-I126 VanDerWaalsContact O-N 3.11Å; I126-K139 PolarHBondContact O-NZ 3.29Å; I126-F182 HydrophobicContact CG2-CB 3.93Å; I126-F182 HydrophobicContact CG2-CD1 4.33Å; I126-A183 WeakPolarHBondContact CA-O 3.44Å; I126-L192 HydrophobicContact CD1-CD1 4.46Å; I126-L192 HydrophobicContact CD1-CD2 4.15Å; I126-L194 HydrophobicContact CD1-CD1 3.78Å; I126-L194 HydrophobicContact CD1-CD2 4.37Å; I126-L194 HydrophobicContact CG1-CD1 4.13Å; I126-L194 HydrophobicContact CG2-CD2 4.42Å
127	V	94.1	Very high	92.1	Very high	45 Å²	45	58.7 Å²	58.7	27%	0.273	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155	-174.7	-65.7	0	0	0	0	111	D125 F182 A183 W185	D125-V127 PolarHBondContact O-N 2.98Å; V127-F182 WeakPolarHBondContact O-CA 3.49Å; V127-A183 PolarHBondContact N-O 3.23Å; V127-A183 PolarHBondContact O-N 3.45Å; V127-W185 HydrophobicContact CG2-CB 3.82Å; V127-W185 HydrophobicContact CG2-CD2 4.23Å; V127-W185 HydrophobicContact CG2-CE3 3.62Å; V127-W185 HydrophobicContact CG2-CG 4.37Å
128	L	95.2	Very high	91.8	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	114.1	173.5	178.8	64.7	0	0	0	109.1	N130 Y131 F160 L180 K181 F182	L128-N130 VanDerWaalsContact CD1-OD1 3.22Å; L128-N130 WeakPolarHBondContact CD1-OD1 3.45Å; L128-Y131 VanDerWaalsContact O-CD1 3.25Å; L128-Y131 WeakPolarHBondContact O-CD1 3.36Å; L128-F160 HydrophobicContact CD2-CB 4.08Å; L128-F160 HydrophobicContact CD2-CD1 4.17Å; L128-F160 HydrophobicContact CD2-CG 4.38Å; L128-L180 HydrophobicContact CD1-CB 3.78Å; L128-L180 HydrophobicContact CD1-CD2 4.15Å; L128-L180 HydrophobicContact CD1-CG 4.36Å; L128-L180 HydrophobicContact CD2-CD2 4.38Å; L128-K181 CarbonylContact C-O 3.51Å; L128-K181 WeakPolarHBondContact CA-O 3.27Å; L128-F182 HydrophobicContact CB-CD1 4.31Å; L128-F182 HydrophobicContact CB-CE1 3.88Å; L128-F182 HydrophobicContact CB-CZ 4.41Å; L128-F182 HydrophobicContact CD1-CE1 4.12Å; L128-F182 HydrophobicContact CD1-CE2 4.08Å; L128-F182 HydrophobicContact CD1-CZ 3.89Å
129	H	92.6	Very high	91.8	Very high	56 Å²	56	59.4 Å²	59.4	26%	0.259	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-35.4	-177.1	-78.7	-165	0	0	0	113.3	Y131 K181 A183 W185	H129-Y131 VanDerWaalsContact C-N 3.29Å; H129-Y131 PolarHBondContact O-N 2.89Å; H129-K181 HydrophobicContact CB-CB 4.27Å; H129-K181 PolarHBondContact N-O 2.72Å; H129-A183 VanDerWaalsContact CE1-CB 3.43Å; H129-A183 WeakPolarHBondContact CE1-CB 3.3Å; H129-W185 AromaticContact NE2-CE3 3.9Å
130	N	94.3	Very high	91.8	Very high	24 Å²	24	63.4 Å²	63.4	13%	0.128	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	37.9	178.4	66.8	-45.2	0	0	0	112.2	L128 S162 N163 F179 K181	L128-N130 VanDerWaalsContact CD1-OD1 3.22Å; L128-N130 WeakPolarHBondContact CD1-OD1 3.45Å; N130-S162 VanDerWaalsContact O-CA 3.31Å; N130-S162 WeakPolarHBondContact O-CA 3.38Å; N130-N163 PolarHBondContact ND2-O 2.92Å; N130-N163 PolarHBondContact O-N 3.47Å; N130-F179 HydrophobicContact CB-CE2 4.45Å; N130-F179 WeakPolarHBondContact ND2-CE2 2.99Å; N130-F179 PolarHBondContact ND2-O 3.03Å; N130-K181 PolarHBondContact OD1-N 3.19Å
131	Y	94	Very high	91.7	Very high	139 Å²	139	67.7 Å²	67.7	55%	0.545	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-65.8	144.4	178.5	74	-80.6	0	0	0	111.2	L128 H129 K161	L128-Y131 VanDerWaalsContact O-CD1 3.25Å; L128-Y131 WeakPolarHBondContact O-CD1 3.36Å; H129-Y131 VanDerWaalsContact C-N 3.29Å; H129-Y131 PolarHBondContact O-N 2.89Å; Y131-K161 WeakPolarHBondContact CA-O 3.31Å
132	A	92	Very high	91.7	Very high	36 Å²	36	69.6 Å²	69.6	30%	0.298	33%	0.332	S	S	.	.			trans	-129.6	20.7	173.7	0	0	0	0	0	111.1	I85 K161	I85-A132 HydrophobicContact CD1-CB 4.08Å; I85-A132 HydrophobicContact CG1-CB 3.93Å; I85-A132 HydrophobicContact CG2-CB 4.33Å; A132-K161 PolarHBondContact N-O 3.37Å
133	D	87.7	Confident	91.8	Very high	11 Å²	11	73.6 Å²	73.6	6%	0.059	35%	0.353	C	S	.	.			trans	-92.3	140.9	176.1	-147.4	-9.8	0	0	0	111.1	R135 K161	D133-R135 VanDerWaalsContact C-N 3.3Å; D133-R135 WeakPolarHBondContact OD2-CD 3.5Å; D133-R135 IonicContact OD2-CZ 2.72Å; D133-R135 IonicContact OD2-NE 3.79Å; D133-R135 IonicContact OD2-NH1 3.18Å; D133-K161 HydrophobicContact CB-CB 3.9Å; D133-K161 HydrophobicContact CB-CD 4.03Å; D133-K161 HydrophobicContact CB-CG 4.11Å; D133-K161 WeakPolarHBondContact OD1-CD 3.27Å; D133-K161 WeakPolarHBondContact OD1-CE 3.33Å; D133-K161 IonicContact OD1-NZ 2.74Å; D133-K161 PolarHBondContact OD1-NZ 3Å
134	E	86.2	Confident	91.9	Very high	196 Å²	196	71.5 Å²	71.5	92%	0.916	34%	0.34	S	S	*	.			trans	-83.4	-12.5	173.8	-62.9	177.2	178.1	0	0	111.8
135	R	88.9	Confident	92	Very high	102 Å²	102	73.7 Å²	73.7	39%	0.385	35%	0.351	S	S	.	.			trans	-71.9	134.7	-177.7	-71.5	169.2	42.9	-157.1	-7.4	111.6	D133 K137 E138	D133-R135 VanDerWaalsContact C-N 3.3Å; D133-R135 WeakPolarHBondContact OD2-CD 3.5Å; D133-R135 IonicContact OD2-CZ 2.72Å; D133-R135 IonicContact OD2-NE 3.79Å; D133-R135 IonicContact OD2-NH1 3.18Å; R135-K137 VanDerWaalsContact C-N 3.29Å; R135-K137 PolarHBondContact NE-O 3.45Å; R135-K137 PolarHBondContact NH2-O 3.04Å; R135-K137 PolarHBondContact O-N 2.97Å; R135-E138 PolarHBondContact NH2-O 3.34Å; R135-E138 VanDerWaalsContact NH2-O 3.09Å
136	L	81.7	Confident	92.2	Very high	180 Å²	180	71.9 Å²	71.9	94%	0.942	34%	0.342	S	S	*	.	S	Bend	trans	-69.4	-22.7	175.3	-61.9	175.3	0	0	0	114.2
137	K	85.6	Confident	92.2	Very high	146 Å²	146	72.5 Å²	72.5	64%	0.635	35%	0.345	S	S	*	.			trans	-133.9	116.2	-179.1	-69.3	-171.6	176.9	-172.2	0	110.8	R135	R135-K137 VanDerWaalsContact C-N 3.29Å; R135-K137 PolarHBondContact NE-O 3.45Å; R135-K137 PolarHBondContact NH2-O 3.04Å; R135-K137 PolarHBondContact O-N 2.97Å
138	E	88.2	Confident	92.4	Very high	31 Å²	31	73.7 Å²	73.7	15%	0.145	35%	0.345	C	S	.	.			trans	-85.2	-36.2	180	-59.9	170.9	146.6	0	0	112.2	R135 I159 F160	R135-E138 PolarHBondContact NH2-O 3.34Å; R135-E138 VanDerWaalsContact NH2-O 3.09Å; E138-I159 PolarHBondContact O-N 3.27Å; E138-F160 HydrophobicContact CB-CD1 4.1Å; E138-F160 HydrophobicContact CB-CE1 4Å; E138-F160 HydrophobicContact CG-CD1 4.39Å; E138-F160 VanDerWaalsContact OE2-CE1 3.22Å; E138-F160 WeakPolarHBondContact OE2-CE1 3.45Å
139	K	92.6	Very high	92.4	Very high	48 Å²	48	77.7 Å²	77.7	21%	0.209	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-94.1	145.3	-172.6	-58.1	169	-165.2	171.3	0	111.2	Y94 I126 W154 P156 A158	Y94-K139 VanDerWaalsContact OH-CE 3.31Å; Y94-K139 WeakPolarHBondContact OH-CE 3.31Å; Y94-K139 PolarHBondContact OH-NZ 3.45Å; I126-K139 PolarHBondContact O-NZ 3.29Å; K139-W154 HydrophobicContact CD-CH2 4.34Å; K139-P156 HydrophobicContact CB-CB 4.14Å; K139-P156 HydrophobicContact CB-CG 4.4Å; K139-P156 HydrophobicContact CD-CG 4.23Å; K139-P156 HydrophobicContact CG-CG 4.42Å; K139-A158 HydrophobicContact CG-CB 4.01Å
140	R	93.3	Very high	92.5	Very high	163 Å²	163	75 Å²	75	62%	0.615	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-88.8	148.7	169.8	-57.2	-171.3	-177.8	164.3	1.2	111.2	V142 P156 P157	R140-V142 PolarHBondContact O-N 3.41Å; R140-P156 WeakPolarHBondContact O-CB 3.43Å; R140-P157 HydrophobicContact CB-CG 4.04Å; R140-P157 HydrophobicContact CG-CG 4.35Å; R140-P157 PolarHBondContact N-O 2.99Å
141	D	91.1	Very high	92.7	Very high	131 Å²	131	79.8 Å²	79.8	70%	0.701	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-70.5	122.9	179.4	-63.5	-38.6	0	0	0	110.7
142	V	95.2	Very high	92.8	Very high	45 Å²	45	73.2 Å²	73.2	27%	0.273	34%	0.343	S	S	.	.			trans	-139.1	153	174.2	-60.2	0	0	0	0	109.6	P118 R140 W154 P156	P118-V142 VanDerWaalsContact CD-O 3.29Å; P118-V142 WeakPolarHBondContact CD-O 3.48Å; R140-V142 PolarHBondContact O-N 3.41Å; V142-W154 PolarHBondContact O-NE1 2.9Å; V142-P156 HydrophobicContact CG2-CB 3.91Å
143	M	96.5	Very high	93.1	Very high	101 Å²	101	75.7 Å²	75.7	50%	0.498	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-69.4	147.6	176.4	-56.3	-65.8	-77.7	0	0	110.9	R115 P117	R115-M143 HydrophobicContact CB-CB 4.34Å; R115-M143 HydrophobicContact CB-CE 4.44Å; P117-M143 HydrophobicContact CB-CE 4.09Å; P117-M143 HydrophobicContact CB-SD 3.79Å; P117-M143 HydrophobicContact CG-CE 4.27Å
144	L	96.8	Very high	93.5	Very high	1 Å²	1	76.1 Å²	76.1	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	145.4	171.1	-58.3	92.8	0	0	0	109.5	W96 R115 I116 P117 P118 I121 T123 V146 V152 W154	W96-L144 HydrophobicContact CH2-CD2 3.41Å; W96-L144 VanDerWaalsContact CH2-CD2 3.41Å; W96-L144 HydrophobicContact CZ2-CD2 3.9Å; W96-L144 HydrophobicContact CZ3-CD2 4.41Å; R115-L144 VanDerWaalsContact CA-O 3.27Å; R115-L144 WeakPolarHBondContact CA-O 3.46Å; I116-L144 PolarHBondContact N-O 2.98Å; I116-L144 WeakPolarHBondContact O-CD1 3.07Å; I116-L144 PolarHBondContact O-N 3.04Å; P117-L144 VanDerWaalsContact C-CD1 3.5Å; P118-L144 HydrophobicContact CB-CD1 3.63Å; P118-L144 HydrophobicContact CG-CD1 4.19Å; I121-L144 HydrophobicContact CD1-CD1 4.25Å; I121-L144 HydrophobicContact CD1-CD2 4.01Å; T123-L144 HydrophobicContact CG2-CD2 4.33Å; L144-V146 HydrophobicContact CB-CG2 4.49Å; L144-V152 HydrophobicContact CB-CG1 4.04Å; L144-V152 HydrophobicContact CD2-CG1 3.48Å; L144-V152 VanDerWaalsContact CD2-CG1 3.48Å; L144-V152 HydrophobicContact CG-CG1 4.36Å; L144-W154 HydrophobicContact CD2-CB 3.79Å; L144-W154 HydrophobicContact CD2-CD2 4.39Å; L144-W154 HydrophobicContact CD2-CG 3.88Å; L144-W154 HydrophobicContact CG-CB 4.03Å; L144-W154 HydrophobicContact CG-CG 3.89Å
145	N	97.2	Very high	94	Very high	50 Å²	50	68.1 Å²	68.1	27%	0.267	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	121.2	167.1	-166.2	26.5	0	0	0	108.8	E113 F153	E113-N145 PolarHBondContact OE2-ND2 3.17Å; N145-F153 PolarHBondContact N-O 3.21Å; N145-F153 PolarHBondContact O-N 3.16Å
146	V	97.3	Very high	94.4	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.6	179.8	-174.5	0	0	0	0	108.4	L101 W103 E113 V114 I116 L144 R151 V152	L101-V146 HydrophobicContact CB-CG1 4Å; L101-V146 HydrophobicContact CD1-CG1 4.16Å; L101-V146 HydrophobicContact CD1-CG2 4.37Å; W103-V146 HydrophobicContact CH2-CG1 4.45Å; W103-V146 WeakPolarHBondContact CH2-O 3.37Å; W103-V146 HydrophobicContact CZ3-CG1 4.08Å; E113-V146 CarbonylContact C-O 3.58Å; E113-V146 VanDerWaalsContact CA-O 3.25Å; E113-V146 WeakPolarHBondContact CA-O 3.49Å; V114-V146 HydrophobicContact CG2-CB 4.14Å; V114-V146 PolarHBondContact N-O 3.21Å; V114-V146 PolarHBondContact O-N 3.43Å; I116-V146 HydrophobicContact CB-CG2 4.34Å; I116-V146 HydrophobicContact CD1-CB 4.44Å; I116-V146 HydrophobicContact CD1-CG2 4.04Å; I116-V146 HydrophobicContact CG1-CG2 4.27Å; L144-V146 HydrophobicContact CB-CG2 4.49Å; V146-R151 WeakPolarHBondContact CA-O 3.44Å; V146-V152 HydrophobicContact CG1-CG2 4.21Å; V146-V152 HydrophobicContact CG2-CG1 4.23Å; V146-V152 HydrophobicContact CG2-CG2 4.13Å
147	D	96.8	Very high	95.1	Very high	15 Å²	15	55.5 Å²	55.5	8%	0.08	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	155.2	176.7	177.4	32.6	0	0	0	111	W103 R112 M149 G150 R151	W103-D147 WeakPolarHBondContact CZ3-O 3.43Å; R112-D147 CarbonylContact O-C 3.59Å; R112-D147 WeakPolarHBondContact O-CA 3.47Å; D147-M149 PolarHBondContact O-N 3.08Å; D147-G150 WeakPolarHBondContact O-CA 3.47Å; D147-G150 PolarHBondContact O-N 2.68Å; D147-R151 HydrophobicContact CB-CB 4.17Å; D147-R151 PolarHBondContact N-O 3.1Å; D147-R151 IonicContact OD2-CZ 3.89Å; D147-R151 VanDerWaalsContact OD2-CZ 3.25Å; D147-R151 IonicContact OD2-NE 2.73Å; D147-R151 PolarHBondContact OD2-NE 3.2Å; D147-R151 IonicContact OD2-NH2 3.7Å; D147-R151 PolarHBondContact OD2-NH2 3.42Å
148	Y	96.6	Very high	95.6	Very high	70 Å²	70	48.6 Å²	48.6	28%	0.275	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.8	-175.9	74.7	-85.6	0	0	0	113.9	W103 P105 R112 G150	W103-Y148 VanDerWaalsContact CH2-CA 3.45Å; W103-Y148 VanDerWaalsContact CH2-N 3.3Å; W103-Y148 PolarHBondContact N-O 2.85Å; P105-Y148 HydrophobicContact CG-CD1 4.15Å; P105-Y148 HydrophobicContact CG-CD2 3.76Å; P105-Y148 HydrophobicContact CG-CE2 4.38Å; P105-Y148 HydrophobicContact CG-CG 3.62Å; R112-Y148 HydrophobicContact CB-CD1 3.97Å; R112-Y148 HydrophobicContact CG-CD1 4.16Å; R112-Y148 HydrophobicContact CG-CE1 4.42Å; R112-Y148 PolarHBondContact O-N 3.41Å; Y148-G150 PolarHBondContact O-N 3.37Å
149	M	96.5	Very high	96	Very high	86 Å²	86	48.9 Å²	48.9	42%	0.424	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-5.2	173.1	-62.1	-164.6	176.2	0	0	113.9	R102 D147	R102-M149 PolarHBondContact NE-O 3.45Å; D147-M149 PolarHBondContact O-N 3.08Å
150	G	94.9	Very high	96.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	83.3	13.3	-173.3	0	0	0	0	0	114	I97 D98 L101 D147 Y148 V152	I97-G150 CarbonylContact C-O 3.59Å; I97-G150 WeakPolarHBondContact CA-O 3.34Å; D98-G150 PolarHBondContact N-O 2.93Å; D98-G150 WeakPolarHBondContact O-CA 3.48Å; L101-G150 WeakPolarHBondContact O-CA 3.44Å; D147-G150 WeakPolarHBondContact O-CA 3.47Å; D147-G150 PolarHBondContact O-N 2.68Å; Y148-G150 PolarHBondContact O-N 3.37Å; G150-V152 PolarHBondContact O-N 2.99Å
151	R	97	Very high	96.3	Very high	125 Å²	125	41.8 Å²	41.8	47%	0.472	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	124.3	172.2	-66.1	179.8	-67.4	-174.9	0.1	108.7	W96 I97 V146 D147	W96-R151 WeakPolarHBondContact O-CA 3.24Å; I97-R151 HydrophobicContact CG1-CG 4.13Å; V146-R151 WeakPolarHBondContact CA-O 3.44Å; D147-R151 HydrophobicContact CB-CB 4.17Å; D147-R151 PolarHBondContact N-O 3.1Å; D147-R151 IonicContact OD2-CZ 3.89Å; D147-R151 VanDerWaalsContact OD2-CZ 3.25Å; D147-R151 IonicContact OD2-NE 2.73Å; D147-R151 PolarHBondContact OD2-NE 3.2Å; D147-R151 IonicContact OD2-NH2 3.7Å; D147-R151 PolarHBondContact OD2-NH2 3.42Å
152	V	97.5	Very high	96.5	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.4	179.6	-176.7	0	0	0	0	108.4	T95 W96 D98 L101 L144 V146 G150	T95-V152 VanDerWaalsContact CA-O 3.28Å; T95-V152 WeakPolarHBondContact CA-O 3.41Å; W96-V152 HydrophobicContact CD2-CB 3.95Å; W96-V152 HydrophobicContact CD2-CG1 4.3Å; W96-V152 HydrophobicContact CE3-CB 4.33Å; W96-V152 HydrophobicContact CE3-CG1 4.38Å; W96-V152 HydrophobicContact CG-CB 4.48Å; W96-V152 HydrophobicContact CH2-CB 4.29Å; W96-V152 HydrophobicContact CH2-CG1 3.57Å; W96-V152 HydrophobicContact CZ2-CB 3.88Å; W96-V152 HydrophobicContact CZ2-CG1 3.43Å; W96-V152 VanDerWaalsContact CZ2-CG1 3.43Å; W96-V152 HydrophobicContact CZ2-CG2 4.37Å; W96-V152 HydrophobicContact CZ3-CB 4.48Å; W96-V152 HydrophobicContact CZ3-CG1 4.03Å; W96-V152 PolarHBondContact N-O 2.99Å; W96-V152 VanDerWaalsContact N-O 3.12Å; W96-V152 PolarHBondContact O-N 3.17Å; D98-V152 HydrophobicContact CB-CG2 3.94Å; L101-V152 HydrophobicContact CD1-CG2 4.2Å; L144-V152 HydrophobicContact CB-CG1 4.04Å; L144-V152 HydrophobicContact CD2-CG1 3.48Å; L144-V152 VanDerWaalsContact CD2-CG1 3.48Å; L144-V152 HydrophobicContact CG-CG1 4.36Å; V146-V152 HydrophobicContact CG1-CG2 4.21Å; V146-V152 HydrophobicContact CG2-CG1 4.23Å; V146-V152 HydrophobicContact CG2-CG2 4.13Å; G150-V152 PolarHBondContact O-N 2.99Å
153	F	97.4	Very high	96.5	Very high	88 Å²	88	37.2 Å²	37.2	39%	0.386	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.4	171.8	179.9	-102.5	0	0	0	110.1	K93 Y94 N145	K93-F153 HydrophobicContact CB-CE2 4.39Å; K93-F153 HydrophobicContact CG-CZ 4.43Å; Y94-F153 WeakPolarHBondContact O-CA 3.4Å; Y94-F153 WeakPolarHBondContact O-CD2 3.26Å; N145-F153 PolarHBondContact N-O 3.21Å; N145-F153 PolarHBondContact O-N 3.16Å
154	W	97	Very high	96.3	Very high	20 Å²	20	32.4 Å²	32.4	8%	0.076	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	126.5	179.7	-175.5	43.3	0	0	0	110.1	Y94 W96 P118 K139 V142 L144 P156	Y94-W154 HydrophobicContact CD2-CD2 4.2Å; Y94-W154 AromaticContact CD2-CE3 3.58Å; Y94-W154 HydrophobicContact CD2-CE3 3.58Å; Y94-W154 HydrophobicContact CD2-CZ3 4.19Å; Y94-W154 WeakPolarHBondContact CD2-O 3.46Å; Y94-W154 AromaticContact CE2-CE3 3.93Å; Y94-W154 HydrophobicContact CE2-CE3 3.93Å; Y94-W154 HydrophobicContact CE2-CZ3 4.07Å; Y94-W154 AromaticContact CG-CE3 3.96Å; Y94-W154 HydrophobicContact CG-CE3 3.96Å; Y94-W154 PolarHBondContact N-O 3.03Å; Y94-W154 PolarHBondContact O-N 3.21Å; W96-W154 HydrophobicContact CH2-CB 4.23Å; W96-W154 HydrophobicContact CH2-CE3 4.46Å; W96-W154 HydrophobicContact CZ3-CB 4.03Å; W96-W154 HydrophobicContact CZ3-CE3 4.48Å; P118-W154 HydrophobicContact CB-CZ2 4.42Å; K139-W154 HydrophobicContact CD-CH2 4.34Å; V142-W154 PolarHBondContact O-NE1 2.9Å; L144-W154 HydrophobicContact CD2-CB 3.79Å; L144-W154 HydrophobicContact CD2-CD2 4.39Å; L144-W154 HydrophobicContact CD2-CG 3.88Å; L144-W154 HydrophobicContact CG-CB 4.03Å; L144-W154 HydrophobicContact CG-CG 3.89Å; W154-P156 HydrophobicContact CD2-CG 4.1Å; W154-P156 HydrophobicContact CH2-CG 4.31Å; W154-P156 HydrophobicContact CZ2-CB 4.3Å; W154-P156 HydrophobicContact CZ2-CG 3.85Å
155	S	96.3	Very high	96	Very high	27 Å²	27	34.9 Å²	34.9	19%	0.189	17%	0.168	C	C	.	.			trans	-135.4	71.3	-178.9	-165.5	0	0	0	0	112.3	A92 K93	A92-S155 WeakPolarHBondContact O-CA 3.42Å; K93-S155 WeakPolarHBondContact CG-OG 3.46Å
156	P	96.9	Very high	95.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.16	C	C	.	.			trans	-68	138	173.9	27.5	-35.6	0	0	0	111.3	A92 Y94 K139 R140 V142 W154	A92-P156 HydrophobicContact CB-CG 4.49Å; A92-P156 PolarHBondContact N-O 3.29Å; A92-P156 VanDerWaalsContact N-O 3.09Å; A92-P156 VanDerWaalsContact O-CD 3.23Å; A92-P156 WeakPolarHBondContact O-CD 3.32Å; Y94-P156 HydrophobicContact CE2-CG 4.12Å; K139-P156 HydrophobicContact CB-CB 4.14Å; K139-P156 HydrophobicContact CB-CG 4.4Å; K139-P156 HydrophobicContact CD-CG 4.23Å; K139-P156 HydrophobicContact CG-CG 4.42Å; R140-P156 WeakPolarHBondContact O-CB 3.43Å; V142-P156 HydrophobicContact CG2-CB 3.91Å; W154-P156 HydrophobicContact CD2-CG 4.1Å; W154-P156 HydrophobicContact CH2-CG 4.31Å; W154-P156 HydrophobicContact CZ2-CB 4.3Å; W154-P156 HydrophobicContact CZ2-CG 3.85Å
157	P	96.6	Very high	95.2	Very high	17 Å²	17	36 Å²	36	11%	0.11	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	134.9	163.8	25.8	-23.4	0	0	0	108.8	W91 R140	W91-P157 HydrophobicContact CD2-CB 4.4Å; W91-P157 HydrophobicContact CE3-CB 3.73Å; W91-P157 HydrophobicContact CE3-CG 4.2Å; W91-P157 HydrophobicContact CH2-CB 4Å; W91-P157 HydrophobicContact CH2-CG 4.16Å; W91-P157 HydrophobicContact CZ3-CB 3.52Å; W91-P157 HydrophobicContact CZ3-CG 3.6Å; R140-P157 HydrophobicContact CB-CG 4.04Å; R140-P157 HydrophobicContact CG-CG 4.35Å; R140-P157 PolarHBondContact N-O 2.99Å
158	A	95.7	Very high	94.8	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.017	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.4	-176.9	0	0	0	0	0	110.5	N89 V90 K139 F160	N89-A158 PolarHBondContact OD1-O 3.42Å; V90-A158 HydrophobicContact CG2-CB 4.31Å; V90-A158 PolarHBondContact N-O 3.07Å; V90-A158 PolarHBondContact O-N 3.11Å; K139-A158 HydrophobicContact CG-CB 4.01Å; A158-F160 HydrophobicContact CB-CD2 4.22Å; A158-F160 HydrophobicContact CB-CE1 4.13Å; A158-F160 HydrophobicContact CB-CE2 3.69Å; A158-F160 HydrophobicContact CB-CZ 3.63Å
159	I	96.1	Very high	94.3	Very high	37 Å²	37	35.6 Å²	35.6	19%	0.19	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	113.1	165.8	-63.6	172.1	0	0	0	105.8	L77 T87 I88 E138	L77-I159 HydrophobicContact CD1-CD1 4.35Å; L77-I159 HydrophobicContact CD1-CG1 4.34Å; L77-I159 HydrophobicContact CD1-CG2 4.07Å; T87-I159 HydrophobicContact CG2-CG2 3.81Å; I88-I159 WeakPolarHBondContact O-CA 3.37Å; E138-I159 PolarHBondContact O-N 3.27Å
160	F	96.5	Very high	93.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136	177	-68.1	-57.9	0	0	0	109.8	L71 T87 I88 V90 A92 L128 E138 A158 L180 F182	L71-F160 HydrophobicContact CD2-CE2 4.24Å; T87-F160 WeakPolarHBondContact CA-O 3.43Å; I88-F160 HydrophobicContact CG1-CB 4.13Å; I88-F160 PolarHBondContact N-O 3.42Å; I88-F160 PolarHBondContact O-N 3.32Å; V90-F160 HydrophobicContact CG2-CD2 3.37Å; V90-F160 HydrophobicContact CG2-CE2 3.42Å; V90-F160 VanDerWaalsContact CG2-CE2 3.42Å; A92-F160 HydrophobicContact CB-CE2 4.32Å; A92-F160 HydrophobicContact CB-CZ 4.36Å; L128-F160 HydrophobicContact CD2-CB 4.08Å; L128-F160 HydrophobicContact CD2-CD1 4.17Å; L128-F160 HydrophobicContact CD2-CG 4.38Å; E138-F160 HydrophobicContact CB-CD1 4.1Å; E138-F160 HydrophobicContact CB-CE1 4Å; E138-F160 HydrophobicContact CG-CD1 4.39Å; E138-F160 VanDerWaalsContact OE2-CE1 3.22Å; E138-F160 WeakPolarHBondContact OE2-CE1 3.45Å; A158-F160 HydrophobicContact CB-CD2 4.22Å; A158-F160 HydrophobicContact CB-CE1 4.13Å; A158-F160 HydrophobicContact CB-CE2 3.69Å; A158-F160 HydrophobicContact CB-CZ 3.63Å; F160-L180 HydrophobicContact CB-CD2 3.96Å; F160-F182 HydrophobicContact CD1-CE1 4.34Å; F160-F182 HydrophobicContact CD1-CZ 4.4Å; F160-F182 HydrophobicContact CD2-CE1 4.35Å; F160-F182 AromaticContact CD2-CZ 3.81Å; F160-F182 HydrophobicContact CD2-CZ 3.81Å; F160-F182 AromaticContact CE1-CE1 3.88Å; F160-F182 HydrophobicContact CE1-CE1 3.88Å; F160-F182 HydrophobicContact CE1-CZ 4.27Å; F160-F182 AromaticContact CE2-CE1 3.89Å; F160-F182 HydrophobicContact CE2-CE1 3.89Å; F160-F182 AromaticContact CE2-CZ 3.66Å; F160-F182 HydrophobicContact CE2-CZ 3.66Å; F160-F182 HydrophobicContact CG-CZ 4.2Å; F160-F182 AromaticContact CZ-CE1 3.64Å; F160-F182 HydrophobicContact CZ-CE1 3.64Å; F160-F182 AromaticContact CZ-CZ 3.91Å; F160-F182 HydrophobicContact CZ-CZ 3.91Å
161	K	96.4	Very high	93.6	Very high	62 Å²	62	34 Å²	34	27%	0.27	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.4	166.3	-59.5	-171.4	-171	157.6	0	109.2	I85 L86 T87 Y131 A132 D133	I85-K161 HydrophobicContact CG2-CB 3.85Å; I85-K161 HydrophobicContact CG2-CD 4.25Å; I85-K161 HydrophobicContact CG2-CG 4.35Å; L86-K161 CarbonylContact O-C 3.53Å; L86-K161 VanDerWaalsContact O-CA 3.24Å; L86-K161 WeakPolarHBondContact O-CA 3.22Å; T87-K161 HydrophobicContact CG2-CG 4.06Å; Y131-K161 WeakPolarHBondContact CA-O 3.31Å; A132-K161 PolarHBondContact N-O 3.37Å; D133-K161 HydrophobicContact CB-CB 3.9Å; D133-K161 HydrophobicContact CB-CD 4.03Å; D133-K161 HydrophobicContact CB-CG 4.11Å; D133-K161 WeakPolarHBondContact OD1-CD 3.27Å; D133-K161 WeakPolarHBondContact OD1-CE 3.33Å; D133-K161 IonicContact OD1-NZ 2.74Å; D133-K161 PolarHBondContact OD1-NZ 3Å
162	S	96	Very high	93.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	149.9	178	68.1	0	0	0	0	111.6	I85 L86 N130 C164 F179	I85-S162 WeakPolarHBondContact CA-O 3.3Å; L86-S162 PolarHBondContact N-O 3.32Å; L86-S162 PolarHBondContact O-N 3Å; N130-S162 VanDerWaalsContact O-CA 3.31Å; N130-S162 WeakPolarHBondContact O-CA 3.38Å; S162-C164 PolarHBondContact O-N 3.32Å; S162-F179 PolarHBondContact OG-O 3.38Å
163	N	94	Very high	92.8	Very high	80 Å²	80	31.5 Å²	31.5	43%	0.428	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	126.7	167.6	-177.8	14.7	0	0	0	109.4	Q84 N130	Q84-N163 PolarHBondContact O-OD1 3.01Å; N130-N163 PolarHBondContact ND2-O 2.92Å; N130-N163 PolarHBondContact O-N 3.47Å
164	C	93.7	Very high	92.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.			trans	-126.8	115.7	177.7	179	0	0	0	0	110.8	L79 Q84 L86 S162 I166 C178	L79-C164 HydrophobicContact CD1-CB 4.22Å; Q84-C164 WeakPolarHBondContact CB-O 3.15Å; Q84-C164 PolarHBondContact O-N 3.28Å; L86-C164 HydrophobicContact CB-CB 4.01Å; S162-C164 PolarHBondContact O-N 3.32Å; C164-I166 HydrophobicContact CB-CD1 4.43Å; C164-I166 WeakPolarHBondContact O-CG1 3.31Å; C164-I166 PolarHBondContact O-N 2.72Å; C164-C178 HydrophobicContact CB-CB 3.69Å; C164-C178 WeakPolarHBondContact CB-SG 3.12Å; C164-C178 WeakPolarHBondContact SG-CA 3.2Å; C164-C178 WeakPolarHBondContact SG-CB 3.44Å; C164-C178 CovalentContact SG-SG 2.02Å; C164-C178 PolarHBondContact SG-SG 3.09Å
165	P	90	Very high	92.1	Very high	52 Å²	52	31 Å²	31	34%	0.338	16%	0.155	S	C	.	.			trans	-68.4	121.5	176	28.6	-32.8	0	0	0	110.6	F179	P165-F179 HydrophobicContact CG-CE1 4.31Å
166	I	89.2	Confident	91.9	Very high	18 Å²	18	29.8 Å²	29.8	9%	0.092	15%	0.146	C	C	.	.			trans	-99.4	129.6	-177	-53.7	-60.7	0	0	0	110.8	L79 E81 Q84 C164 I168	L79-I166 HydrophobicContact CD1-CD1 3.91Å; L79-I166 HydrophobicContact CD2-CD1 4.04Å; L79-I166 HydrophobicContact CG-CD1 4.09Å; E81-I166 HydrophobicContact CB-CG1 4.49Å; E81-I166 HydrophobicContact CB-CG2 4.25Å; E81-I166 HydrophobicContact CG-CG2 4.28Å; Q84-I166 HydrophobicContact CG-CG1 4.21Å; C164-I166 HydrophobicContact CB-CD1 4.43Å; C164-I166 WeakPolarHBondContact O-CG1 3.31Å; C164-I166 PolarHBondContact O-N 2.72Å; I166-I168 HydrophobicContact CG2-CG2 3.66Å
167	D	87.2	Confident	91.7	Very high	57 Å²	57	32 Å²	32	31%	0.305	16%	0.157	S	C	.	.			trans	-105.5	111.1	169	-170.1	-13.3	0	0	0	110.7	K169 Q176	D167-K169 WeakPolarHBondContact OD1-CB 3.29Å; D167-K169 WeakPolarHBondContact OD1-CD 3.09Å; D167-K169 WeakPolarHBondContact OD1-CG 3.43Å; D167-K169 PolarHBondContact OD1-N 3.36Å; D167-K169 IonicContact OD1-NZ 3.25Å; D167-K169 IonicContact OD2-NZ 2.7Å; D167-K169 PolarHBondContact OD2-NZ 2.91Å; D167-Q176 PolarHBondContact O-NE2 3.36Å
168	I	88.4	Confident	91.7	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.015	15%	0.151	C	C	.	.			trans	-98.3	6	-176.6	64.7	173	0	0	0	114.8	I166 N170 F171 T301 P302 S305 P309	I166-I168 HydrophobicContact CG2-CG2 3.66Å; I168-N170 VanDerWaalsContact C-N 3.28Å; I168-N170 PolarHBondContact O-N 2.95Å; I168-F171 WeakPolarHBondContact O-CB 3.48Å; I168-F171 PolarHBondContact O-N 2.98Å; I168-F171 VanDerWaalsContact O-N 3.13Å; I168-T301 HydrophobicContact CD1-CG2 4.02Å; I168-P302 HydrophobicContact CD1-CG 4.31Å; I168-P302 HydrophobicContact CG2-CG 4.11Å; I168-S305 VanDerWaalsContact CD1-OG 3.24Å; I168-S305 WeakPolarHBondContact CD1-OG 3.49Å; I168-P309 WeakPolarHBondContact O-CB 3.34Å
169	K	87.7	Confident	91.7	Very high	73 Å²	73	32.5 Å²	32.5	32%	0.317	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-48.5	-175.4	-76.7	166.2	-159.3	144.7	0	113.5	D167 I307 Y310	D167-K169 WeakPolarHBondContact OD1-CB 3.29Å; D167-K169 WeakPolarHBondContact OD1-CD 3.09Å; D167-K169 WeakPolarHBondContact OD1-CG 3.43Å; D167-K169 PolarHBondContact OD1-N 3.36Å; D167-K169 IonicContact OD1-NZ 3.25Å; D167-K169 IonicContact OD2-NZ 2.7Å; D167-K169 PolarHBondContact OD2-NZ 2.91Å; K169-I307 HydrophobicContact CD-CG2 4.41Å; K169-I307 HydrophobicContact CG-CG2 3.48Å; K169-I307 VanDerWaalsContact CG-CG2 3.48Å; K169-Y310 HydrophobicContact CB-CE2 4.25Å; K169-Y310 WeakPolarHBondContact O-CD2 3.38Å; K169-Y310 PolarHBondContact O-N 3.43Å
170	N	87.8	Confident	91.7	Very high	42 Å²	42	30.8 Å²	30.8	23%	0.225	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	15.9	-173.5	-67.1	-39.3	0	0	0	113.4	I168 F173 Y310 G591	I168-N170 VanDerWaalsContact C-N 3.28Å; I168-N170 PolarHBondContact O-N 2.95Å; N170-F173 CarbonylContact O-C 3.55Å; N170-F173 WeakPolarHBondContact O-CA 3.26Å; N170-F173 PolarHBondContact O-N 3.23Å; N170-Y310 WeakPolarHBondContact OD1-CE2 3.11Å; N170-G591 WeakPolarHBondContact ND2-CA 3.15Å
171	F	88.4	Confident	91.7	Very high	9 Å²	9	32.8 Å²	32.8	4%	0.039	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	133.3	179.1	-177.6	-88.7	0	0	0	111.5	I168 Y251 L255 L297 P309	I168-F171 WeakPolarHBondContact O-CB 3.48Å; I168-F171 PolarHBondContact O-N 2.98Å; I168-F171 VanDerWaalsContact O-N 3.13Å; F171-Y251 HydrophobicContact CE1-CD1 4.28Å; F171-Y251 AromaticContact CZ-CD1 3.74Å; F171-Y251 HydrophobicContact CZ-CD1 3.74Å; F171-Y251 HydrophobicContact CZ-CD2 4.4Å; F171-Y251 AromaticContact CZ-CE1 3.9Å; F171-Y251 HydrophobicContact CZ-CE1 3.9Å; F171-Y251 AromaticContact CZ-CG 4Å; F171-Y251 HydrophobicContact CZ-CG 4Å; F171-L255 HydrophobicContact CE1-CD1 3.79Å; F171-L297 HydrophobicContact CD1-CD1 3.86Å; F171-L297 HydrophobicContact CE1-CD1 3.86Å; F171-P309 HydrophobicContact CB-CB 4.19Å
172	P	89.2	Confident	91.7	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.019	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.7	12.4	4.8	38.3	-37.2	0	0	0	115	D174 P248 Y251	P172-D174 VanDerWaalsContact C-N 3.28Å; P172-D174 PolarHBondContact O-N 3.47Å; P172-P248 HydrophobicContact CG-CB 4.46Å; P172-Y251 HydrophobicContact CB-CD2 4.38Å; P172-Y251 HydrophobicContact CB-CG 4.18Å
173	F	88.8	Confident	91.7	Very high	71 Å²	71	29.9 Å²	29.9	31%	0.311	14%	0.144	S	C	.	.	S	Bend	trans	-95.9	45.5	178.5	-52.9	-75.4	0	0	0	111.1	N170 P248 P589	N170-F173 CarbonylContact O-C 3.55Å; N170-F173 WeakPolarHBondContact O-CA 3.26Å; N170-F173 PolarHBondContact O-N 3.23Å; F173-P248 HydrophobicContact CD1-CB 3.53Å; F173-P248 HydrophobicContact CD1-CG 3.78Å; F173-P248 HydrophobicContact CE1-CB 3.49Å; F173-P248 VanDerWaalsContact CE1-CB 3.49Å; F173-P248 HydrophobicContact CE1-CG 3.76Å; F173-P248 HydrophobicContact CG-CB 4.49Å; F173-P248 HydrophobicContact CZ-CB 4.42Å; F173-P589 HydrophobicContact CB-CB 4.17Å
174	D	89	Confident	91.7	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.016	13%	0.125	C	C	.	.			trans	-97.3	156.2	-170.8	58.1	-37.3	0	0	0	113.5	P172 Q176 R246	P172-D174 VanDerWaalsContact C-N 3.28Å; P172-D174 PolarHBondContact O-N 3.47Å; D174-Q176 PolarHBondContact OD2-NE2 2.85Å; D174-R246 PolarHBondContact O-N 3.36Å; D174-R246 WeakPolarHBondContact OD1-CB 3.35Å; D174-R246 WeakPolarHBondContact OD1-CD 3.46Å; D174-R246 IonicContact OD1-CZ 3.9Å; D174-R246 IonicContact OD1-NE 2.69Å; D174-R246 PolarHBondContact OD1-NE 2.96Å; D174-R246 IonicContact OD2-CZ 3.98Å; D174-R246 IonicContact OD2-NE 3.79Å; D174-R246 PolarHBondContact OD2-NE 3.19Å; D174-R246 IonicContact OD2-NH2 2.7Å; D174-R246 PolarHBondContact OD2-NH2 3.02Å
175	Y	90.9	Very high	91.6	Very high	95 Å²	95	34.4 Å²	34.4	37%	0.373	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131	169.5	-68.2	-95.7	0	0	0	107.7	V217 L244 K245	Y175-V217 HydrophobicContact CE1-CG2 4.46Å; Y175-L244 CarbonylContact C-O 3.6Å; Y175-L244 WeakPolarHBondContact CA-O 3.22Å; Y175-K245 HydrophobicContact CD1-CB 3.77Å; Y175-K245 HydrophobicContact CD1-CG 4.08Å; Y175-K245 HydrophobicContact CE1-CB 3.72Å; Y175-K245 HydrophobicContact CE1-CD 3.65Å; Y175-K245 HydrophobicContact CE1-CG 3.67Å
176	Q	92.5	Very high	91.7	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.6	178	-56.2	-55.5	-23.6	0	0	109.8	L79 D167 D174 W214 L244	L79-Q176 HydrophobicContact CD2-CB 4.13Å; L79-Q176 HydrophobicContact CD2-CG 4.1Å; D167-Q176 PolarHBondContact O-NE2 3.36Å; D174-Q176 PolarHBondContact OD2-NE2 2.85Å; Q176-W214 HydrophobicContact CB-CZ3 4.33Å; Q176-W214 HydrophobicContact CG-CH2 3.7Å; Q176-W214 HydrophobicContact CG-CZ3 3.74Å; Q176-L244 HydrophobicContact CB-CB 4.46Å; Q176-L244 PolarHBondContact N-O 3.46Å; Q176-L244 PolarHBondContact O-N 2.79Å
177	H	92.6	Very high	91.8	Very high	46 Å²	46	37.4 Å²	37.4	21%	0.213	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	108.3	177.1	57.2	-79.2	0	0	0	108.7	L242 F243 I599	H177-L242 WeakPolarHBondContact CA-O 3.23Å; H177-F243 HydrophobicContact CB-CD1 4.06Å; H177-F243 HydrophobicContact CB-CE1 4.1Å; H177-I599 HydrophobicContact CB-CD1 3.85Å; H177-I599 VanDerWaalsContact CG-CD1 3.43Å
178	C	95.6	Very high	92.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	154.9	177.8	-56.8	0	0	0	0	109.5	L86 C164 F241 L242	L86-C178 HydrophobicContact CB-CB 4.35Å; L86-C178 HydrophobicContact CD2-CB 3.52Å; L86-C178 HydrophobicContact CG-CB 4.39Å; C164-C178 HydrophobicContact CB-CB 3.69Å; C164-C178 WeakPolarHBondContact CB-SG 3.12Å; C164-C178 WeakPolarHBondContact SG-CA 3.2Å; C164-C178 WeakPolarHBondContact SG-CB 3.44Å; C164-C178 CovalentContact SG-SG 2.02Å; C164-C178 PolarHBondContact SG-SG 3.09Å; C178-F241 CarbonylContact O-C 3.32Å; C178-F241 WeakPolarHBondContact O-CA 3.35Å; C178-L242 PolarHBondContact N-O 3.02Å; C178-L242 PolarHBondContact O-N 3.44Å
179	F	95.5	Very high	92.3	Very high	30 Å²	30	36.2 Å²	36.2	13%	0.132	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.7	175.8	60.3	-96.3	0	0	0	111.4	N130 S162 P165 K181 T239 F240 F241 H603	N130-F179 HydrophobicContact CB-CE2 4.45Å; N130-F179 WeakPolarHBondContact ND2-CE2 2.99Å; N130-F179 PolarHBondContact ND2-O 3.03Å; S162-F179 PolarHBondContact OG-O 3.38Å; P165-F179 HydrophobicContact CG-CE1 4.31Å; F179-K181 HydrophobicContact CD2-CD 4.19Å; F179-K181 HydrophobicContact CD2-CG 3.78Å; F179-K181 HydrophobicContact CE2-CD 3.99Å; F179-K181 VanDerWaalsContact CE2-CE 3.43Å; F179-K181 HydrophobicContact CE2-CG 4.05Å; F179-T239 HydrophobicContact CB-CG2 3.91Å; F179-T239 HydrophobicContact CD2-CG2 4.45Å; F179-T239 HydrophobicContact CG-CG2 4.49Å; F179-F240 CarbonylContact C-O 3.59Å; F179-F240 VanDerWaalsContact CA-O 3.25Å; F179-F240 WeakPolarHBondContact CA-O 3.45Å; F179-F241 HydrophobicContact CB-CD1 3.72Å; F179-F241 HydrophobicContact CB-CE1 3.81Å; F179-F241 HydrophobicContact CB-CG 4.4Å; F179-F241 HydrophobicContact CD1-CE1 4.5Å; F179-F241 HydrophobicContact CG-CE1 4.39Å; F179-H603 AromaticContact CD1-NE2 3.31Å; F179-H603 VanDerWaalsContact CD1-NE2 3.31Å; F179-H603 WeakPolarHBondContact CD1-NE2 3.4Å; F179-H603 AromaticContact CE1-NE2 3.36Å; F179-H603 WeakPolarHBondContact CE1-NE2 3.41Å
180	L	96.6	Very high	92.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.7	173.8	-63	99.4	0	0	0	109.1	L86 I88 L128 F160 F182 T239 F240 L242	L86-L180 HydrophobicContact CD2-CD1 4.14Å; I88-L180 HydrophobicContact CD1-CD1 3.77Å; I88-L180 HydrophobicContact CD1-CD2 3.53Å; I88-L180 HydrophobicContact CD1-CG 4.32Å; I88-L180 HydrophobicContact CG1-CD2 4.2Å; L128-L180 HydrophobicContact CD1-CB 3.78Å; L128-L180 HydrophobicContact CD1-CD2 4.15Å; L128-L180 HydrophobicContact CD1-CG 4.36Å; L128-L180 HydrophobicContact CD2-CD2 4.38Å; F160-L180 HydrophobicContact CB-CD2 3.96Å; L180-F182 HydrophobicContact CB-CD2 4.27Å; L180-F182 HydrophobicContact CB-CE2 3.57Å; L180-F182 HydrophobicContact CB-CZ 4.31Å; L180-F182 HydrophobicContact CD2-CE2 4.24Å; L180-F182 HydrophobicContact CD2-CZ 4.25Å; L180-T239 CarbonylContact O-C 3.53Å; L180-T239 VanDerWaalsContact O-CA 3.29Å; L180-T239 WeakPolarHBondContact O-CA 3.43Å; L180-F240 PolarHBondContact N-O 2.91Å; L180-F240 PolarHBondContact O-N 2.69Å; L180-L242 HydrophobicContact CD1-CD1 4.18Å
181	K	95.7	Very high	92.7	Very high	42 Å²	42	40.6 Å²	40.6	18%	0.183	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	111.7	-176.8	-60.5	-171.6	169.7	-165.6	0	110.7	L128 H129 N130 F179 T239 Y607	L128-K181 CarbonylContact C-O 3.51Å; L128-K181 WeakPolarHBondContact CA-O 3.27Å; H129-K181 HydrophobicContact CB-CB 4.27Å; H129-K181 PolarHBondContact N-O 2.72Å; N130-K181 PolarHBondContact OD1-N 3.19Å; F179-K181 HydrophobicContact CD2-CD 4.19Å; F179-K181 HydrophobicContact CD2-CG 3.78Å; F179-K181 HydrophobicContact CE2-CD 3.99Å; F179-K181 VanDerWaalsContact CE2-CE 3.43Å; F179-K181 HydrophobicContact CE2-CG 4.05Å; K181-T239 HydrophobicContact CG-CG2 4.1Å; K181-Y607 WeakPolarHBondContact CD-OH 3.42Å; K181-Y607 VanDerWaalsContact CE-OH 3.28Å; K181-Y607 WeakPolarHBondContact CE-OH 3.28Å; K181-Y607 PolarHBondContact NZ-OH 3.4Å
182	F	96.9	Very high	93	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.2	178.2	-68.4	-84.1	0	0	0	111	Y69 L71 I126 V127 L128 F160 L180 L194 D237 L238 F240	Y69-F182 HydrophobicContact CD1-CB 4.24Å; Y69-F182 HydrophobicContact CD1-CG 4.46Å; Y69-F182 HydrophobicContact CE1-CB 3.72Å; Y69-F182 AromaticContact CE1-CD1 3.9Å; Y69-F182 HydrophobicContact CE1-CD1 3.9Å; Y69-F182 AromaticContact CE1-CD2 3.76Å; Y69-F182 HydrophobicContact CE1-CD2 3.76Å; Y69-F182 HydrophobicContact CE1-CE1 4.46Å; Y69-F182 HydrophobicContact CE1-CE2 4.34Å; Y69-F182 AromaticContact CE1-CG 3.5Å; Y69-F182 HydrophobicContact CE1-CG 3.5Å; Y69-F182 VanDerWaalsContact CE1-CG 3.5Å; Y69-F182 AromaticContact CZ-CD1 3.91Å; Y69-F182 WeakPolarHBondContact OH-CD1 3.22Å; Y69-F182 VanDerWaalsContact OH-CE1 3.24Å; Y69-F182 WeakPolarHBondContact OH-CE1 3.26Å; L71-F182 HydrophobicContact CD1-CD2 4.38Å; L71-F182 HydrophobicContact CD1-CE2 3.64Å; L71-F182 HydrophobicContact CD1-CZ 4.27Å; L71-F182 HydrophobicContact CD2-CE2 4.36Å; L71-F182 HydrophobicContact CD2-CZ 4.36Å; L71-F182 HydrophobicContact CG-CE2 4.45Å; I126-F182 HydrophobicContact CG2-CB 3.93Å; I126-F182 HydrophobicContact CG2-CD1 4.33Å; V127-F182 WeakPolarHBondContact O-CA 3.49Å; L128-F182 HydrophobicContact CB-CD1 4.31Å; L128-F182 HydrophobicContact CB-CE1 3.88Å; L128-F182 HydrophobicContact CB-CZ 4.41Å; L128-F182 HydrophobicContact CD1-CE1 4.12Å; L128-F182 HydrophobicContact CD1-CE2 4.08Å; L128-F182 HydrophobicContact CD1-CZ 3.89Å; F160-F182 HydrophobicContact CD1-CE1 4.34Å; F160-F182 HydrophobicContact CD1-CZ 4.4Å; F160-F182 HydrophobicContact CD2-CE1 4.35Å; F160-F182 AromaticContact CD2-CZ 3.81Å; F160-F182 HydrophobicContact CD2-CZ 3.81Å; F160-F182 AromaticContact CE1-CE1 3.88Å; F160-F182 HydrophobicContact CE1-CE1 3.88Å; F160-F182 HydrophobicContact CE1-CZ 4.27Å; F160-F182 AromaticContact CE2-CE1 3.89Å; F160-F182 HydrophobicContact CE2-CE1 3.89Å; F160-F182 AromaticContact CE2-CZ 3.66Å; F160-F182 HydrophobicContact CE2-CZ 3.66Å; F160-F182 HydrophobicContact CG-CZ 4.2Å; F160-F182 AromaticContact CZ-CE1 3.64Å; F160-F182 HydrophobicContact CZ-CE1 3.64Å; F160-F182 AromaticContact CZ-CZ 3.91Å; F160-F182 HydrophobicContact CZ-CZ 3.91Å; L180-F182 HydrophobicContact CB-CD2 4.27Å; L180-F182 HydrophobicContact CB-CE2 3.57Å; L180-F182 HydrophobicContact CB-CZ 4.31Å; L180-F182 HydrophobicContact CD2-CE2 4.24Å; L180-F182 HydrophobicContact CD2-CZ 4.25Å; F182-L194 WeakPolarHBondContact O-CD2 3.27Å; F182-D237 CarbonylContact O-C 3.55Å; F182-D237 VanDerWaalsContact O-CA 3.27Å; F182-D237 WeakPolarHBondContact O-CA 3.49Å; F182-D237 WeakPolarHBondContact O-CB 3.41Å; F182-L238 PolarHBondContact N-O 3.02Å; F182-L238 PolarHBondContact O-N 3.36Å; F182-F240 AromaticContact CD2-CD2 3.78Å; F182-F240 HydrophobicContact CD2-CD2 3.78Å; F182-F240 AromaticContact CD2-CE2 3.96Å; F182-F240 HydrophobicContact CD2-CE2 3.96Å; F182-F240 HydrophobicContact CE2-CD2 4.15Å
183	A	95.6	Very high	93.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	171.1	172.7	0	0	0	0	0	110.1	I126 V127 H129 I235 D237	I126-A183 WeakPolarHBondContact CA-O 3.44Å; V127-A183 PolarHBondContact N-O 3.23Å; V127-A183 PolarHBondContact O-N 3.45Å; H129-A183 VanDerWaalsContact CE1-CB 3.43Å; H129-A183 WeakPolarHBondContact CE1-CB 3.3Å; A183-I235 HydrophobicContact CB-CG2 4.05Å; A183-D237 HydrophobicContact CB-CB 3.66Å
184	S	95	Very high	93.7	Very high	4 Å²	4	37 Å²	37	3%	0.028	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	140	166.2	177.1	0	0	0	0	109.8	D125 Y187	D125-S184 VanDerWaalsContact CG-OG 3.31Å; D125-S184 WeakPolarHBondContact OD1-CB 3.31Å; D125-S184 PolarHBondContact OD1-OG 3.02Å; D125-S184 PolarHBondContact OD2-OG 3.48Å; S184-Y187 WeakPolarHBondContact OG-CB 3.27Å; S184-Y187 WeakPolarHBondContact OG-CD2 3.39Å; S184-Y187 PolarHBondContact OG-N 3.42Å
185	W	90.7	Very high	94.1	Very high	171 Å²	171	40.1 Å²	40.1	65%	0.648	18%	0.184	S	C	*	.	S	Bend	trans	-77.2	-38.8	177.8	-167.4	-107.8	0	0	0	112.6	D125 V127 H129	D125-W185 PolarHBondContact O-N 2.74Å; D125-W185 PolarHBondContact OD2-N 3.47Å; V127-W185 HydrophobicContact CG2-CB 3.82Å; V127-W185 HydrophobicContact CG2-CD2 4.23Å; V127-W185 HydrophobicContact CG2-CE3 3.62Å; V127-W185 HydrophobicContact CG2-CG 4.37Å; H129-W185 AromaticContact NE2-CE3 3.9Å
186	T	91.6	Very high	94.4	Very high	93 Å²	93	36.9 Å²	36.9	57%	0.571	17%	0.172	S	C	*	.	S	Bend	trans	-113.5	-22.1	-170.3	62.2	0	0	0	0	114.5	D125	D125-T186 WeakPolarHBondContact OD2-CB 3.44Å; D125-T186 PolarHBondContact OD2-N 2.75Å; D125-T186 PolarHBondContact OD2-OG1 2.82Å
187	Y	92.6	Very high	94.5	Very high	40 Å²	40	37.6 Å²	37.6	16%	0.157	18%	0.176	C	C	.	.			trans	-97.9	141.7	-175.9	-59.5	-68.1	0	0	0	112.7	R56 W122 D125 S184 Q191 L192	R56-Y187 HydrophobicContact CG-CD1 4.26Å; R56-Y187 HydrophobicContact CG-CE1 3.59Å; W122-Y187 AromaticContact CZ2-CE2 3.94Å; W122-Y187 HydrophobicContact CZ2-CE2 3.94Å; W122-Y187 PolarHBondContact NE1-OH 3.41Å; D125-Y187 WeakPolarHBondContact OD1-CD2 3.38Å; S184-Y187 WeakPolarHBondContact OG-CB 3.27Å; S184-Y187 WeakPolarHBondContact OG-CD2 3.39Å; S184-Y187 PolarHBondContact OG-N 3.42Å; Y187-Q191 HydrophobicContact CD1-CB 3.91Å; Y187-Q191 HydrophobicContact CG-CB 4.4Å; Y187-L192 HydrophobicContact CD2-CB 4.34Å; Y187-L192 HydrophobicContact CD2-CD1 3.77Å; Y187-L192 HydrophobicContact CE2-CD1 4.47Å; Y187-L192 HydrophobicContact CG-CB 4.1Å; Y187-L192 HydrophobicContact CG-CD1 4.37Å
188	N	92.7	Very high	94.4	Very high	11 Å²	11	41.2 Å²	41.2	6%	0.059	20%	0.197	C	C	.	.			trans	-89.2	173.8	169.4	69.3	-8.5	0	0	0	111.6	E190 Q191 L192 K233 E234	N188-E190 PolarHBondContact ND2-OE2 3.26Å; N188-E190 PolarHBondContact O-N 3.17Å; N188-Q191 PolarHBondContact O-N 2.99Å; N188-Q191 WeakPolarHBondContact OD1-CB 3.34Å; N188-Q191 WeakPolarHBondContact OD1-CG 3.37Å; N188-Q191 PolarHBondContact OD1-N 3.31Å; N188-Q191 VanDerWaalsContact OD1-N 3.13Å; N188-Q191 PolarHBondContact OD1-OE1 3.39Å; N188-L192 PolarHBondContact O-N 3.06Å; N188-K233 HydrophobicContact CB-CB 4.28Å; N188-E234 CarbonylContact C-O 3.56Å; N188-E234 WeakPolarHBondContact CA-O 3.44Å
189	S	92.3	Very high	94.2	Very high	23 Å²	23	47.8 Å²	47.8	16%	0.161	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.7	-179.8	65.2	0	0	0	0	114.3	Q191 E234	S189-Q191 VanDerWaalsContact C-N 3.34Å; S189-E234 WeakPolarHBondContact CB-O 3.28Å; S189-E234 PolarHBondContact N-O 3.23Å; S189-E234 PolarHBondContact OG-O 2.96Å
190	E	91.4	Very high	94.1	Very high	134 Å²	134	52.9 Å²	52.9	63%	0.626	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-28.3	176.3	-58.8	-179.4	150.7	0	0	112.2	R64 N188	R64-E190 VanDerWaalsContact CB-O 3.31Å; R64-E190 WeakPolarHBondContact CB-O 3.32Å; N188-E190 PolarHBondContact ND2-OE2 3.26Å; N188-E190 PolarHBondContact O-N 3.17Å
191	Q	93.4	Very high	94	Very high	73 Å²	73	56.6 Å²	56.6	34%	0.341	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-42.2	-176.9	-72.3	173	-21.4	0	0	112.4	R56 R64 V65 Y187 N188 S189	R56-Q191 WeakPolarHBondContact CD-O 3.08Å; R56-Q191 VanDerWaalsContact NH1-CA 3.31Å; R56-Q191 PolarHBondContact NH1-O 3.21Å; R64-Q191 WeakPolarHBondContact CA-O 3.39Å; V65-Q191 PolarHBondContact N-O 3.01Å; Y187-Q191 HydrophobicContact CD1-CB 3.91Å; Y187-Q191 HydrophobicContact CG-CB 4.4Å; N188-Q191 PolarHBondContact O-N 2.99Å; N188-Q191 WeakPolarHBondContact OD1-CB 3.34Å; N188-Q191 WeakPolarHBondContact OD1-CG 3.37Å; N188-Q191 PolarHBondContact OD1-N 3.31Å; N188-Q191 VanDerWaalsContact OD1-N 3.13Å; N188-Q191 PolarHBondContact OD1-OE1 3.39Å; S189-Q191 VanDerWaalsContact C-N 3.34Å
192	L	95.4	Very high	93.9	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	123	-178.2	-172.2	155	0	0	0	109.4	V65 V67 W122 P124 I126 Y187 N188 L194	V65-L192 WeakPolarHBondContact O-CA 3.37Å; V67-L192 HydrophobicContact CB-CD2 4.47Å; V67-L192 HydrophobicContact CG2-CD1 4.01Å; V67-L192 HydrophobicContact CG2-CD2 4.22Å; V67-L192 HydrophobicContact CG2-CG 4.01Å; W122-L192 HydrophobicContact CH2-CD1 4.37Å; P124-L192 HydrophobicContact CB-CD1 4.18Å; I126-L192 HydrophobicContact CD1-CD1 4.46Å; I126-L192 HydrophobicContact CD1-CD2 4.15Å; Y187-L192 HydrophobicContact CD2-CB 4.34Å; Y187-L192 HydrophobicContact CD2-CD1 3.77Å; Y187-L192 HydrophobicContact CE2-CD1 4.47Å; Y187-L192 HydrophobicContact CG-CB 4.1Å; Y187-L192 HydrophobicContact CG-CD1 4.37Å; N188-L192 PolarHBondContact O-N 3.06Å; L192-L194 HydrophobicContact CD2-CB 4.23Å
193	D	95.4	Very high	93.8	Very high	7 Å²	7	59.5 Å²	59.5	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.9	174.5	-173.5	19.4	0	0	0	109.8	R64 V65 V66 V67 Q195 R223	R64-D193 IonicContact CZ-OD2 3.42Å; R64-D193 IonicContact NH1-OD2 2.8Å; R64-D193 PolarHBondContact NH1-OD2 3.49Å; R64-D193 IonicContact NH2-OD2 2.66Å; V65-D193 PolarHBondContact O-N 3.07Å; V66-D193 WeakPolarHBondContact CA-O 3.44Å; V66-D193 HydrophobicContact CG2-CB 4.47Å; V67-D193 PolarHBondContact N-O 3.43Å; D193-Q195 PolarHBondContact OD2-NE2 3.46Å; D193-R223 IonicContact OD1-CZ 3.52Å; D193-R223 IonicContact OD1-NE 2.85Å; D193-R223 IonicContact OD1-NH2 3.65Å; D193-R223 PolarHBondContact OD1-NH2 2.9Å
194	L	96.5	Very high	93.8	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122.3	179.8	-167.8	63.9	0	0	0	109.5	V67 Y69 I126 F182 L192 R223 P236 L238	V67-L194 HydrophobicContact CB-CD1 4.14Å; V67-L194 HydrophobicContact CG1-CD1 4.12Å; Y69-L194 HydrophobicContact CG-CD1 4.46Å; I126-L194 HydrophobicContact CD1-CD1 3.78Å; I126-L194 HydrophobicContact CD1-CD2 4.37Å; I126-L194 HydrophobicContact CG1-CD1 4.13Å; I126-L194 HydrophobicContact CG2-CD2 4.42Å; F182-L194 WeakPolarHBondContact O-CD2 3.27Å; L192-L194 HydrophobicContact CD2-CB 4.23Å; L194-R223 PolarHBondContact O-NE 3.06Å; L194-P236 HydrophobicContact CB-CG 4.28Å; L194-L238 HydrophobicContact CD1-CD1 4.42Å; L194-L238 HydrophobicContact CD2-CB 4.37Å; L194-L238 HydrophobicContact CD2-CD1 4.11Å; L194-L238 HydrophobicContact CD2-CG 3.77Å; L194-L238 HydrophobicContact CG-CD1 3.78Å; L194-L238 HydrophobicContact CG-CG 3.8Å
195	Q	96.7	Very high	93.8	Very high	68 Å²	68	62.9 Å²	62.9	32%	0.318	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	160	-176.8	-61.7	-174.7	11.5	0	0	111	V66 V67 G68 Y69 D193	V66-Q195 HydrophobicContact CG1-CB 4.46Å; V66-Q195 HydrophobicContact CG1-CG 4.05Å; V67-Q195 PolarHBondContact O-N 3.15Å; G68-Q195 CarbonylContact C-O 3.52Å; G68-Q195 WeakPolarHBondContact CA-O 3.36Å; Y69-Q195 PolarHBondContact N-O 3.42Å; D193-Q195 PolarHBondContact OD2-NE2 3.46Å
196	F	97	Very high	93.9	Very high	27 Å²	27	61 Å²	61	12%	0.118	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.7	175.8	-70.1	-64.5	0	0	0	111.4	D198 N199 T201 A221 Y222 R223 L238 F240	F196-D198 PolarHBondContact O-N 3.48Å; F196-N199 PolarHBondContact O-N 3.15Å; F196-T201 HydrophobicContact CD2-CG2 3.88Å; F196-T201 HydrophobicContact CE2-CG2 4.05Å; F196-A221 HydrophobicContact CD1-CB 4.44Å; F196-A221 HydrophobicContact CE1-CB 3.5Å; F196-A221 HydrophobicContact CZ-CB 3.79Å; F196-Y222 VanDerWaalsContact CZ-C 3.49Å; F196-R223 HydrophobicContact CE2-CB 3.88Å; F196-R223 HydrophobicContact CZ-CB 4.34Å; F196-L238 HydrophobicContact CD1-CD1 3.95Å; F196-L238 HydrophobicContact CD1-CD2 4.21Å; F196-L238 HydrophobicContact CD2-CD2 4.38Å; F196-L238 HydrophobicContact CE1-CB 4.15Å; F196-L238 HydrophobicContact CE1-CD1 4.02Å; F196-L238 HydrophobicContact CE1-CD2 3.82Å; F196-L238 HydrophobicContact CE1-CG 4.21Å; F196-L238 HydrophobicContact CE2-CD2 4.02Å; F196-L238 HydrophobicContact CG-CD2 4.47Å; F196-L238 HydrophobicContact CZ-CD2 3.72Å; F196-F240 HydrophobicContact CD1-CZ 4.38Å; F196-F240 HydrophobicContact CE1-CE1 4.18Å; F196-F240 HydrophobicContact CE1-CZ 4.1Å
197	L	94.5	Very high	93.9	Very high	18 Å²	18	61.7 Å²	61.7	9%	0.094	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-60.1	128.4	172.3	-177.1	68	0	0	0	110	Y69 K93 T95 N199 R200	Y69-L197 PolarHBondContact O-N 2.88Å; K93-L197 HydrophobicContact CB-CD2 3.51Å; K93-L197 HydrophobicContact CD-CD2 3.99Å; K93-L197 HydrophobicContact CG-CD2 4.36Å; T95-L197 HydrophobicContact CG2-CD1 3.26Å; L197-N199 PolarHBondContact O-N 3.28Å; L197-N199 VanDerWaalsContact O-N 3.13Å; L197-R200 PolarHBondContact O-N 3Å
198	D	91.1	Very high	94	Very high	122 Å²	122	62.2 Å²	62.2	65%	0.652	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	54.4	26.7	-179	-53.3	-35.6	0	0	0	114.6	F196 R200	F196-D198 PolarHBondContact O-N 3.48Å; D198-R200 HydrophobicContact CB-CG 4.18Å; D198-R200 PolarHBondContact O-N 3.22Å; D198-R200 VanDerWaalsContact O-N 3.1Å
199	N	92.2	Very high	94.1	Very high	137 Å²	137	65.2 Å²	65.2	73%	0.733	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	54	23.4	-172.7	-70.5	-19	0	0	0	114.1	F196 L197 T201	F196-N199 PolarHBondContact O-N 3.15Å; L197-N199 PolarHBondContact O-N 3.28Å; L197-N199 VanDerWaalsContact O-N 3.13Å; N199-T201 PolarHBondContact O-N 3.24Å
200	R	92.6	Very high	94	Very high	138 Å²	138	68.4 Å²	68.4	52%	0.521	35%	0.347	S	S	.	.			trans	-81.9	108.6	177.5	-65.2	-176	-176.8	-155.8	1.8	110.2	L197 D198 E202	L197-R200 PolarHBondContact O-N 3Å; D198-R200 HydrophobicContact CB-CG 4.18Å; D198-R200 PolarHBondContact O-N 3.22Å; D198-R200 VanDerWaalsContact O-N 3.1Å; R200-E202 PolarHBondContact O-N 2.85Å
201	T	94.4	Very high	94	Very high	79 Å²	79	63.7 Å²	63.7	49%	0.485	33%	0.329	S	S	.	.			trans	-88.9	30.7	178.3	58.9	0	0	0	0	112.8	F196 N199 A221	F196-T201 HydrophobicContact CD2-CG2 3.88Å; F196-T201 HydrophobicContact CE2-CG2 4.05Å; N199-T201 PolarHBondContact O-N 3.24Å; T201-A221 PolarHBondContact O-N 3.5Å
202	E	94.6	Very high	93.8	Very high	100 Å²	100	67.3 Å²	67.3	47%	0.467	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-140.8	149.1	178.5	-68	-174	-169.8	0	0	110	R200 D204 R219	R200-E202 PolarHBondContact O-N 2.85Å; E202-D204 PolarHBondContact O-N 3.31Å; E202-R219 WeakPolarHBondContact CA-O 3.17Å; E202-R219 IonicContact OE2-CZ 2.99Å; E202-R219 IonicContact OE2-NE 3.91Å; E202-R219 IonicContact OE2-NH2 3.78Å; E202-R219 PolarHBondContact OE2-NH2 3.29Å
203	V	95.3	Very high	93.6	Very high	4 Å²	4	70.1 Å²	70.1	2%	0.024	36%	0.364	C	S	.	.			trans	-67.6	120.4	170.3	178.9	0	0	0	0	108.4	L71 L73 R219 F240 L242	L71-V203 HydrophobicContact CB-CG1 4.11Å; L73-V203 HydrophobicContact CB-CG1 3.8Å; V203-R219 HydrophobicContact CB-CB 4.22Å; V203-R219 PolarHBondContact N-O 2.89Å; V203-R219 VanDerWaalsContact N-O 3.11Å; V203-R219 WeakPolarHBondContact O-CD 3.27Å; V203-R219 PolarHBondContact O-NE 3.48Å; V203-R219 PolarHBondContact O-NH1 2.91Å; V203-F240 HydrophobicContact CG2-CB 3.78Å; V203-F240 HydrophobicContact CG2-CD1 3.51Å; V203-F240 HydrophobicContact CG2-CG 4.04Å; V203-L242 HydrophobicContact CG2-CD2 4.16Å
204	D	95.2	Very high	93.6	Very high	15 Å²	15	70.1 Å²	70.1	8%	0.08	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-62.6	142.9	178.8	173.8	23.7	0	0	0	112.3	L71 S72 L73 K93 E202 D206	L71-D204 WeakPolarHBondContact O-CB 3.41Å; L71-D204 PolarHBondContact O-N 3.45Å; S72-D204 CarbonylContact C-O 3.59Å; S72-D204 WeakPolarHBondContact CA-O 3.21Å; S72-D204 WeakPolarHBondContact CB-OD2 3.45Å; S72-D204 PolarHBondContact OG-OD2 3.15Å; L73-D204 PolarHBondContact N-O 2.97Å; K93-D204 IonicContact NZ-OD2 3.18Å; K93-D204 PolarHBondContact NZ-OD2 2.99Å; E202-D204 PolarHBondContact O-N 3.31Å; D204-D206 PolarHBondContact OD1-N 2.95Å; D204-D206 VanDerWaalsContact OD1-N 3.11Å
205	I	94.9	Very high	93.4	Very high	59 Å²	59	72.7 Å²	72.7	30%	0.303	38%	0.382	S	S	.	.			trans	-131.5	12.9	-176.4	69.2	-174.4	0	0	0	112.7	L73 Q207 Y208 L216 R219	L73-I205 HydrophobicContact CB-CG2 4.49Å; I205-Q207 PolarHBondContact O-N 3.08Å; I205-Y208 HydrophobicContact CB-CG 4.48Å; I205-Y208 VanDerWaalsContact O-CB 3.29Å; I205-Y208 WeakPolarHBondContact O-CB 3.34Å; I205-Y208 PolarHBondContact O-N 3.44Å; I205-L216 HydrophobicContact CG2-CD2 4.03Å; I205-R219 VanDerWaalsContact CG2-NH1 3.28Å
206	D	92.1	Very high	93.3	Very high	131 Å²	131	71.4 Å²	71.4	70%	0.701	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.9	-175.8	-68.4	-14.1	0	0	0	113	D204	D204-D206 PolarHBondContact OD1-N 2.95Å; D204-D206 VanDerWaalsContact OD1-N 3.11Å
207	Q	91.5	Very high	93.1	Very high	108 Å²	108	74.2 Å²	74.2	51%	0.505	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	17.7	178.1	-60.2	-176.6	-10.6	0	0	113.4	F74 W91 I205 T209	F74-Q207 HydrophobicContact CD2-CB 4.14Å; W91-Q207 VanDerWaalsContact NE1-OE1 3.12Å; I205-Q207 PolarHBondContact O-N 3.08Å; Q207-T209 PolarHBondContact O-N 3.34Å
208	Y	94.6	Very high	93	Very high	51 Å²	51	74.4 Å²	74.4	20%	0.2	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-73.5	126.7	-175.5	175.7	-117.7	0	0	0	111.9	L73 F74 I205 S211	L73-Y208 HydrophobicContact CB-CD2 4.48Å; L73-Y208 HydrophobicContact CD2-CD2 3.69Å; L73-Y208 HydrophobicContact CD2-CE2 3.67Å; L73-Y208 HydrophobicContact CD2-CG 4.48Å; L73-Y208 HydrophobicContact CG-CD2 3.72Å; L73-Y208 HydrophobicContact CG-CE2 4.05Å; L73-Y208 WeakPolarHBondContact O-CA 3.23Å; L73-Y208 WeakPolarHBondContact O-CB 3.42Å; F74-Y208 WeakPolarHBondContact O-CA 3.48Å; I205-Y208 HydrophobicContact CB-CG 4.48Å; I205-Y208 VanDerWaalsContact O-CB 3.29Å; I205-Y208 WeakPolarHBondContact O-CB 3.34Å; I205-Y208 PolarHBondContact O-N 3.44Å; Y208-S211 PolarHBondContact OH-N 2.88Å
209	T	94.4	Very high	93.2	Very high	75 Å²	75	71.1 Å²	71.1	46%	0.46	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-93.2	120.7	167.4	-56.7	0	0	0	0	109.6	F74 Q207	F74-T209 PolarHBondContact O-N 3.37Å; Q207-T209 PolarHBondContact O-N 3.34Å
210	S	91.5	Very high	93.4	Very high	89 Å²	89	65.4 Å²	65.4	62%	0.622	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-60.8	136.4	-179.8	56.2	0	0	0	0	112.4
211	S	91.1	Very high	93.6	Very high	36 Å²	36	59 Å²	59	25%	0.252	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-79.2	147.8	170.5	178.8	0	0	0	0	111.1	Y208 E213	Y208-S211 PolarHBondContact OH-N 2.88Å; S211-E213 PolarHBondContact OG-N 2.89Å
212	N	89.7	Confident	93.6	Very high	148 Å²	148	59.3 Å²	59.3	79%	0.791	32%	0.318	S	S	*	.	S	Bend	trans	-75.8	-29.4	176.4	-69.5	-25.6	0	0	0	112.4	N247	N212-N247 PolarHBondContact O-ND2 2.92Å
213	E	91.2	Very high	93.7	Very high	61 Å²	61	59.2 Å²	59.2	29%	0.285	31%	0.313	S	S	.	.	S	Bend	trans	-91.6	-35.3	-176.7	-176.3	172.8	-167.3	0	0	112.3	S211 R246 N247 Y251	S211-E213 PolarHBondContact OG-N 2.89Å; E213-R246 HydrophobicContact CG-CG 4.43Å; E213-R246 CarbonylContact O-C 3.58Å; E213-R246 IonicContact OE1-NH1 2.84Å; E213-R246 PolarHBondContact OE1-NH1 2.69Å; E213-N247 WeakPolarHBondContact O-CB 3.05Å; E213-N247 PolarHBondContact O-N 3.41Å; E213-Y251 PolarHBondContact OE1-OH 2.7Å
214	W	93.9	Very high	93.6	Very high	7 Å²	7	59.4 Å²	59.4	3%	0.027	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.5	-171.2	-64.2	100	0	0	0	111.6	L76 L79 E81 Q176 L244 R246	L76-W214 HydrophobicContact CD2-CB 3.48Å; L76-W214 VanDerWaalsContact CD2-CB 3.48Å; L76-W214 HydrophobicContact CD2-CG 3.85Å; L79-W214 HydrophobicContact CB-CZ2 4.29Å; L79-W214 HydrophobicContact CD2-CH2 3.79Å; L79-W214 HydrophobicContact CD2-CZ2 3.67Å; L79-W214 HydrophobicContact CD2-CZ3 4.3Å; L79-W214 HydrophobicContact CG-CZ2 4.37Å; E81-W214 WeakPolarHBondContact OE1-CZ2 3.39Å; Q176-W214 HydrophobicContact CB-CZ3 4.33Å; Q176-W214 HydrophobicContact CG-CH2 3.7Å; Q176-W214 HydrophobicContact CG-CZ3 3.74Å; W214-L244 HydrophobicContact CE3-CB 3.81Å; W214-L244 HydrophobicContact CZ3-CB 4.34Å; W214-R246 HydrophobicContact CE3-CB 4.05Å; W214-R246 HydrophobicContact CH2-CB 4.1Å; W214-R246 HydrophobicContact CH2-CG 4.34Å; W214-R246 VanDerWaalsContact CH2-CZ 3.43Å; W214-R246 VanDerWaalsContact CH2-NH2 3.28Å; W214-R246 VanDerWaalsContact CZ2-CZ 3.47Å; W214-R246 HydrophobicContact CZ3-CB 3.69Å; W214-R246 HydrophobicContact CZ3-CG 4.33Å
215	S	93.4	Very high	93.5	Very high	54 Å²	54	60.9 Å²	60.9	38%	0.378	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.3	171	57.5	0	0	0	0	110.3	V217 L244 K245	S215-V217 PolarHBondContact O-N 2.97Å; S215-L244 CarbonylContact O-C 3.34Å; S215-L244 WeakPolarHBondContact O-CA 3.23Å; S215-K245 PolarHBondContact N-O 2.75Å; S215-K245 PolarHBondContact O-N 3.32Å; S215-K245 WeakPolarHBondContact OG-CB 3.34Å; S215-K245 PolarHBondContact OG-O 3.43Å
216	L	93.9	Very high	93.3	Very high	41 Å²	41	58.8 Å²	58.8	22%	0.215	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	113.9	176.9	-175.5	65.5	0	0	0	109.4	L73 I205 R219 L242 L244	L73-L216 HydrophobicContact CD2-CD2 4.07Å; I205-L216 HydrophobicContact CG2-CD2 4.03Å; L216-R219 HydrophobicContact CD1-CB 4.5Å; L216-R219 HydrophobicContact CD2-CB 4.39Å; L216-L242 HydrophobicContact CD1-CB 4.39Å; L216-L242 HydrophobicContact CD1-CD2 3.99Å; L216-L244 HydrophobicContact CD1-CD2 3.77Å
217	V	92.4	Very high	93.3	Very high	86 Å²	86	54.4 Å²	54.4	52%	0.521	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-46.6	-176.2	-179.5	0	0	0	0	111.4	Y175 S215 F243 K245	Y175-V217 HydrophobicContact CE1-CG2 4.46Å; S215-V217 PolarHBondContact O-N 2.97Å; V217-F243 HydrophobicContact CB-CB 4.29Å; V217-F243 PolarHBondContact N-O 3.31Å; V217-K245 HydrophobicContact CG2-CB 3.57Å
218	A	93.3	Very high	93.1	Very high	22 Å²	22	50.4 Å²	50.4	18%	0.182	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	153.6	-179.3	0	0	0	0	0	110.4	F243 V596	A218-F243 HydrophobicContact CB-CB 4.01Å; A218-F243 HydrophobicContact CB-CD2 3.87Å; A218-F243 HydrophobicContact CB-CG 4.1Å; A218-F243 PolarHBondContact O-N 3.3Å; A218-V596 HydrophobicContact CB-CG2 3.81Å
219	R	95.3	Very high	92.5	Very high	52 Å²	52	53.6 Å²	53.6	20%	0.196	29%	0.293	C	S	.	.			trans	-144.4	41	-172.4	63	-170.4	179.2	127.4	10.1	114.8	E202 V203 I205 L216 F241 L242	E202-R219 WeakPolarHBondContact CA-O 3.17Å; E202-R219 IonicContact OE2-CZ 2.99Å; E202-R219 IonicContact OE2-NE 3.91Å; E202-R219 IonicContact OE2-NH2 3.78Å; E202-R219 PolarHBondContact OE2-NH2 3.29Å; V203-R219 HydrophobicContact CB-CB 4.22Å; V203-R219 PolarHBondContact N-O 2.89Å; V203-R219 VanDerWaalsContact N-O 3.11Å; V203-R219 WeakPolarHBondContact O-CD 3.27Å; V203-R219 PolarHBondContact O-NE 3.48Å; V203-R219 PolarHBondContact O-NH1 2.91Å; I205-R219 VanDerWaalsContact CG2-NH1 3.28Å; L216-R219 HydrophobicContact CD1-CB 4.5Å; L216-R219 HydrophobicContact CD2-CB 4.39Å; R219-F241 CarbonylContact C-O 3.54Å; R219-F241 WeakPolarHBondContact CA-O 3.18Å; R219-L242 HydrophobicContact CB-CD2 4.12Å
220	P	96.4	Very high	92	Very high	18 Å²	18	55.4 Å²	55.4	12%	0.117	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-72.4	155.8	-173.2	35.3	-37.4	0	0	0	111.4	Y222 F241 F243 V596 I600	P220-Y222 HydrophobicContact CB-CE2 3.76Å; P220-Y222 HydrophobicContact CG-CE2 4.13Å; P220-F241 HydrophobicContact CG-CB 4.16Å; P220-F241 PolarHBondContact O-N 2.82Å; P220-F243 HydrophobicContact CG-CE2 4.01Å; P220-V596 HydrophobicContact CG-CG1 3.93Å; P220-I600 HydrophobicContact CG-CD1 4.14Å
221	A	96.2	Very high	91.5	Very high	2 Å²	2	55 Å²	55	2%	0.017	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.5	176.4	0	0	0	0	0	110.4	F196 T201 T239 F240	F196-A221 HydrophobicContact CD1-CB 4.44Å; F196-A221 HydrophobicContact CE1-CB 3.5Å; F196-A221 HydrophobicContact CZ-CB 3.79Å; T201-A221 PolarHBondContact O-N 3.5Å; A221-T239 CarbonylContact C-O 3.52Å; A221-T239 VanDerWaalsContact CA-O 3.32Å; A221-T239 WeakPolarHBondContact CA-O 3.33Å; A221-F240 HydrophobicContact CB-CD1 3.36Å; A221-F240 HydrophobicContact CB-CE1 3.65Å; A221-F240 HydrophobicContact CB-CG 4.08Å
222	Y	95.5	Very high	91.1	Very high	86 Å²	86	56.8 Å²	56.8	34%	0.337	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.9	-179.3	-70.3	-90	0	0	0	110.9	F196 P220 F224 T239 F241 I600	F196-Y222 VanDerWaalsContact CZ-C 3.49Å; P220-Y222 HydrophobicContact CB-CE2 3.76Å; P220-Y222 HydrophobicContact CG-CE2 4.13Å; Y222-F224 HydrophobicContact CG-CZ 4.37Å; Y222-T239 PolarHBondContact N-O 3.17Å; Y222-T239 PolarHBondContact O-N 3.46Å; Y222-F241 HydrophobicContact CD2-CD2 4.07Å; Y222-F241 HydrophobicContact CD2-CE2 4Å; Y222-I600 HydrophobicContact CD1-CG2 4.32Å; Y222-I600 HydrophobicContact CD2-CD1 4.28Å; Y222-I600 HydrophobicContact CD2-CG1 4.24Å; Y222-I600 HydrophobicContact CD2-CG2 3.99Å; Y222-I600 HydrophobicContact CE1-CG2 4.13Å; Y222-I600 HydrophobicContact CE2-CB 4.39Å; Y222-I600 HydrophobicContact CE2-CD1 3.29Å; Y222-I600 HydrophobicContact CE2-CG1 3.71Å; Y222-I600 HydrophobicContact CE2-CG2 3.77Å; Y222-I600 HydrophobicContact CG-CG2 4.27Å; Y222-I600 WeakPolarHBondContact OH-CD1 3.33Å
223	R	95.5	Very high	91.1	Very high	98 Å²	98	53.7 Å²	53.7	37%	0.37	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115.8	171.7	-179.4	176.1	-179.2	-75.8	6.8	107.8	D193 L194 F196 D237 L238	D193-R223 IonicContact OD1-CZ 3.52Å; D193-R223 IonicContact OD1-NE 2.85Å; D193-R223 IonicContact OD1-NH2 3.65Å; D193-R223 PolarHBondContact OD1-NH2 2.9Å; L194-R223 PolarHBondContact O-NE 3.06Å; F196-R223 HydrophobicContact CE2-CB 3.88Å; F196-R223 HydrophobicContact CZ-CB 4.34Å; R223-D237 CarbonylContact C-O 3.51Å; R223-D237 WeakPolarHBondContact CA-O 3.24Å; R223-L238 HydrophobicContact CB-CD2 3.56Å; R223-L238 HydrophobicContact CG-CD2 3.66Å
224	F	94.6	Very high	91.2	Very high	9 Å²	9	55.2 Å²	55.2	4%	0.039	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	167.9	171.7	-58.6	-83.9	0	0	0	109.4	Y222 D237 T239 F241 H603 Q604 Y607	Y222-F224 HydrophobicContact CG-CZ 4.37Å; F224-D237 WeakPolarHBondContact CA-OD1 3.34Å; F224-D237 WeakPolarHBondContact CB-OD1 3.3Å; F224-D237 PolarHBondContact N-O 3.37Å; F224-D237 PolarHBondContact O-N 3.17Å; F224-T239 HydrophobicContact CE2-CG2 4.36Å; F224-F241 HydrophobicContact CE2-CE2 4.06Å; F224-F241 HydrophobicContact CE2-CZ 4.29Å; F224-F241 HydrophobicContact CZ-CE2 4.37Å; F224-F241 HydrophobicContact CZ-CZ 4.48Å; F224-H603 HydrophobicContact CZ-CB 4.5Å; F224-Q604 HydrophobicContact CE1-CB 4.19Å; F224-Y607 HydrophobicContact CB-CD1 3.79Å; F224-Y607 HydrophobicContact CB-CD2 4.46Å; F224-Y607 HydrophobicContact CB-CE1 3.6Å; F224-Y607 HydrophobicContact CB-CE2 4.33Å; F224-Y607 HydrophobicContact CB-CG 4.23Å; F224-Y607 HydrophobicContact CD1-CD2 4.21Å; F224-Y607 HydrophobicContact CD1-CG 4.34Å; F224-Y607 HydrophobicContact CD2-CE2 4.22Å; F224-Y607 HydrophobicContact CG-CD1 4.41Å; F224-Y607 HydrophobicContact CG-CD2 4.24Å; F224-Y607 HydrophobicContact CG-CE1 4.29Å; F224-Y607 HydrophobicContact CG-CE2 4.13Å; F224-Y607 HydrophobicContact CG-CG 4.4Å
225	V	93.1	Very high	91.2	Very high	46 Å²	46	56 Å²	56	28%	0.279	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	117	174.6	-179.2	0	0	0	0	106.8	E234 N611	V225-E234 HydrophobicContact CG1-CB 3.76Å; V225-E234 HydrophobicContact CG1-CG 3.97Å; V225-N611 PolarHBondContact O-ND2 2.95Å
226	M	90.7	Very high	91.3	Very high	14 Å²	14	53.5 Å²	53.5	7%	0.069	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137.6	175.4	51.3	175	-91.3	0	0	110.2	I235 Y607	M226-I235 HydrophobicContact CE-CB 4.41Å; M226-I235 HydrophobicContact CE-CD1 4.02Å; M226-I235 HydrophobicContact CG-CB 3.97Å; M226-I235 HydrophobicContact CG-CG2 4.4Å; M226-I235 VanDerWaalsContact CG-O 3.25Å; M226-I235 WeakPolarHBondContact CG-O 3.44Å; M226-I235 PolarHBondContact N-O 3.16Å; M226-I235 PolarHBondContact O-N 3.46Å; M226-Y607 HydrophobicContact CB-CD1 4.22Å; M226-Y607 HydrophobicContact CB-CE1 4.1Å
227	L	90.9	Very high	91.3	Very high	39 Å²	39	51.6 Å²	51.6	20%	0.204	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.1	168.6	-69.1	173	0	0	0	109.3	E234 N611 V614 A615	L227-E234 HydrophobicContact CD2-CG 3.72Å; L227-N611 HydrophobicContact CD1-CB 3.86Å; L227-N611 WeakPolarHBondContact CD1-O 3.18Å; L227-N611 HydrophobicContact CG-CB 4.21Å; L227-N611 PolarHBondContact N-OD1 3.04Å; L227-V614 HydrophobicContact CB-CB 4.29Å; L227-V614 HydrophobicContact CB-CG1 3.95Å; L227-A615 HydrophobicContact CD1-CB 4.38Å
228	S	87	Confident	91.5	Very high	24 Å²	24	47.5 Å²	47.5	17%	0.168	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-68.5	153.5	171	-173.8	0	0	0	0	110.2	E230 K233 V614	S228-E230 PolarHBondContact O-N 3.33Å; S228-E230 PolarHBondContact OG-N 3.18Å; S228-K233 WeakPolarHBondContact CB-O 3.42Å; S228-K233 PolarHBondContact N-O 3.12Å; S228-V614 VanDerWaalsContact O-CG1 3.24Å; S228-V614 WeakPolarHBondContact O-CG1 3.48Å
229	D	82.4	Confident	91.7	Very high	118 Å²	118	46.5 Å²	46.5	63%	0.631	25%	0.248	S	C	*	.	S	Bend	trans	-62.3	-22.2	171.7	-59.8	-25.4	0	0	0	111.2	C231	D229-C231 PolarHBondContact O-N 3.07Å
230	E	83.3	Confident	91.7	Very high	113 Å²	113	44 Å²	44	53%	0.528	24%	0.239	S	C	.	.	S	Bend	trans	-77.8	114.9	165.8	-66.1	-177	-179.1	0	0	110.9	S228 G232 K233	S228-E230 PolarHBondContact O-N 3.33Å; S228-E230 PolarHBondContact OG-N 3.18Å; E230-G232 PolarHBondContact O-N 3.4Å; E230-K233 HydrophobicContact CB-CD 4.23Å; E230-K233 PolarHBondContact O-N 3.38Å; E230-K233 WeakPolarHBondContact OE2-CD 3.44Å; E230-K233 WeakPolarHBondContact OE2-CE 3.47Å; E230-K233 IonicContact OE2-NZ 3.97Å; E230-K233 PolarHBondContact OE2-NZ 3.4Å
231	C	82.2	Confident	91.7	Very high	80 Å²	80	43.2 Å²	43.2	54%	0.541	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	131.2	-175.6	-57.7	0	0	0	0	113.3	D229 C618	D229-C231 PolarHBondContact O-N 3.07Å; C231-C618 WeakPolarHBondContact CA-SG 3.46Å; C231-C618 HydrophobicContact CB-CB 3.71Å; C231-C618 WeakPolarHBondContact CB-SG 3.28Å; C231-C618 WeakPolarHBondContact SG-CA 3.38Å; C231-C618 WeakPolarHBondContact SG-CB 3.4Å; C231-C618 CovalentContact SG-SG 2.03Å; C231-C618 PolarHBondContact SG-SG 3.16Å
232	G	82.3	Confident	91.7	Very high	75 Å²	75	43.3 Å²	43.3	77%	0.773	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	87	1.2	177.2	0	0	0	0	0	115.1	E230	E230-G232 PolarHBondContact O-N 3.4Å
233	K	90	Very high	91.7	Very high	83 Å²	83	39.9 Å²	39.9	36%	0.361	22%	0.22	S	C	.	.			trans	-106.5	130.1	175.7	-64.3	-177.3	-176.8	173.7	0	111.4	N188 S228 E230	N188-K233 HydrophobicContact CB-CB 4.28Å; S228-K233 WeakPolarHBondContact CB-O 3.42Å; S228-K233 PolarHBondContact N-O 3.12Å; E230-K233 HydrophobicContact CB-CD 4.23Å; E230-K233 PolarHBondContact O-N 3.38Å; E230-K233 WeakPolarHBondContact OE2-CD 3.44Å; E230-K233 WeakPolarHBondContact OE2-CE 3.47Å; E230-K233 IonicContact OE2-NZ 3.97Å; E230-K233 PolarHBondContact OE2-NZ 3.4Å
234	E	93.1	Very high	91.6	Very high	92 Å²	92	35.4 Å²	35.4	43%	0.43	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.6	173.9	-71.1	172.4	-175	0	0	110.1	N188 S189 V225 L227	N188-E234 CarbonylContact C-O 3.56Å; N188-E234 WeakPolarHBondContact CA-O 3.44Å; S189-E234 WeakPolarHBondContact CB-O 3.28Å; S189-E234 PolarHBondContact N-O 3.23Å; S189-E234 PolarHBondContact OG-O 2.96Å; V225-E234 HydrophobicContact CG1-CB 3.76Å; V225-E234 HydrophobicContact CG1-CG 3.97Å; L227-E234 HydrophobicContact CD2-CG 3.72Å
235	I	93.5	Very high	91.5	Very high	24 Å²	24	39 Å²	39	12%	0.123	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	112.6	176.4	-60.3	164.9	0	0	0	107.3	A183 M226	A183-I235 HydrophobicContact CB-CG2 4.05Å; M226-I235 HydrophobicContact CE-CB 4.41Å; M226-I235 HydrophobicContact CE-CD1 4.02Å; M226-I235 HydrophobicContact CG-CB 3.97Å; M226-I235 HydrophobicContact CG-CG2 4.4Å; M226-I235 VanDerWaalsContact CG-O 3.25Å; M226-I235 WeakPolarHBondContact CG-O 3.44Å; M226-I235 PolarHBondContact N-O 3.16Å; M226-I235 PolarHBondContact O-N 3.46Å
236	P	94.8	Very high	91.5	Very high	2 Å²	2	37 Å²	37	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	132.3	176.5	31.1	-31.3	0	0	0	110	L194	L194-P236 HydrophobicContact CB-CG 4.28Å
237	D	94.9	Very high	91.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.7	176.6	68.6	-30.5	0	0	0	111.8	F182 A183 R223 F224 Y607	F182-D237 CarbonylContact O-C 3.55Å; F182-D237 VanDerWaalsContact O-CA 3.27Å; F182-D237 WeakPolarHBondContact O-CA 3.49Å; F182-D237 WeakPolarHBondContact O-CB 3.41Å; A183-D237 HydrophobicContact CB-CB 3.66Å; R223-D237 CarbonylContact C-O 3.51Å; R223-D237 WeakPolarHBondContact CA-O 3.24Å; F224-D237 WeakPolarHBondContact CA-OD1 3.34Å; F224-D237 WeakPolarHBondContact CB-OD1 3.3Å; F224-D237 PolarHBondContact N-O 3.37Å; F224-D237 PolarHBondContact O-N 3.17Å; D237-Y607 WeakPolarHBondContact OD2-CE1 3.35Å; D237-Y607 VanDerWaalsContact OD2-CZ 3.3Å; D237-Y607 PolarHBondContact OD2-OH 3.03Å
238	L	96.8	Very high	91.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	116.4	173.5	-59.1	-176.5	0	0	0	108.5	Y69 F182 L194 F196 R223 F240	Y69-L238 HydrophobicContact CD1-CD1 4.12Å; F182-L238 PolarHBondContact N-O 3.02Å; F182-L238 PolarHBondContact O-N 3.36Å; L194-L238 HydrophobicContact CD1-CD1 4.42Å; L194-L238 HydrophobicContact CD2-CB 4.37Å; L194-L238 HydrophobicContact CD2-CD1 4.11Å; L194-L238 HydrophobicContact CD2-CG 3.77Å; L194-L238 HydrophobicContact CG-CD1 3.78Å; L194-L238 HydrophobicContact CG-CG 3.8Å; F196-L238 HydrophobicContact CD1-CD1 3.95Å; F196-L238 HydrophobicContact CD1-CD2 4.21Å; F196-L238 HydrophobicContact CD2-CD2 4.38Å; F196-L238 HydrophobicContact CE1-CB 4.15Å; F196-L238 HydrophobicContact CE1-CD1 4.02Å; F196-L238 HydrophobicContact CE1-CD2 3.82Å; F196-L238 HydrophobicContact CE1-CG 4.21Å; F196-L238 HydrophobicContact CE2-CD2 4.02Å; F196-L238 HydrophobicContact CG-CD2 4.47Å; F196-L238 HydrophobicContact CZ-CD2 3.72Å; R223-L238 HydrophobicContact CB-CD2 3.56Å; R223-L238 HydrophobicContact CG-CD2 3.66Å; L238-F240 HydrophobicContact CB-CE2 3.89Å; L238-F240 HydrophobicContact CB-CZ 4.4Å
239	T	96.6	Very high	91.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.8	177.2	-59.6	0	0	0	0	109.8	F179 L180 K181 A221 Y222 F224 F241	F179-T239 HydrophobicContact CB-CG2 3.91Å; F179-T239 HydrophobicContact CD2-CG2 4.45Å; F179-T239 HydrophobicContact CG-CG2 4.49Å; L180-T239 CarbonylContact O-C 3.53Å; L180-T239 VanDerWaalsContact O-CA 3.29Å; L180-T239 WeakPolarHBondContact O-CA 3.43Å; K181-T239 HydrophobicContact CG-CG2 4.1Å; A221-T239 CarbonylContact C-O 3.52Å; A221-T239 VanDerWaalsContact CA-O 3.32Å; A221-T239 WeakPolarHBondContact CA-O 3.33Å; Y222-T239 PolarHBondContact N-O 3.17Å; Y222-T239 PolarHBondContact O-N 3.46Å; F224-T239 HydrophobicContact CE2-CG2 4.36Å; T239-F241 HydrophobicContact CG2-CD2 4.14Å; T239-F241 HydrophobicContact CG2-CE1 4.22Å; T239-F241 HydrophobicContact CG2-CE2 3.58Å; T239-F241 HydrophobicContact CG2-CZ 3.63Å
240	F	96.8	Very high	92.2	Very high	1 Å²	1	43 Å²	43	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122	175.6	-63	-93.7	0	0	0	109.2	Y69 L71 F179 L180 F182 F196 V203 A221 L238	Y69-F240 AromaticContact CD1-CE2 3.94Å; Y69-F240 HydrophobicContact CD1-CE2 3.94Å; Y69-F240 HydrophobicContact CD1-CZ 4.15Å; Y69-F240 AromaticContact CE1-CE2 3.86Å; Y69-F240 HydrophobicContact CE1-CE2 3.86Å; Y69-F240 HydrophobicContact CE1-CZ 4.34Å; L71-F240 HydrophobicContact CB-CD1 4.47Å; L71-F240 HydrophobicContact CB-CE1 4.36Å; L71-F240 HydrophobicContact CD1-CB 4.07Å; L71-F240 HydrophobicContact CD1-CD1 4.05Å; L71-F240 HydrophobicContact CD1-CD2 3.57Å; L71-F240 HydrophobicContact CD1-CE1 4.39Å; L71-F240 HydrophobicContact CD1-CE2 3.96Å; L71-F240 HydrophobicContact CD1-CG 3.62Å; L71-F240 HydrophobicContact CD1-CZ 4.35Å; L71-F240 HydrophobicContact CG-CD1 4.33Å; L71-F240 HydrophobicContact CG-CD2 4.15Å; L71-F240 HydrophobicContact CG-CE1 4.2Å; L71-F240 HydrophobicContact CG-CE2 4.02Å; L71-F240 HydrophobicContact CG-CG 4.3Å; L71-F240 HydrophobicContact CG-CZ 4.04Å; F179-F240 CarbonylContact C-O 3.59Å; F179-F240 VanDerWaalsContact CA-O 3.25Å; F179-F240 WeakPolarHBondContact CA-O 3.45Å; L180-F240 PolarHBondContact N-O 2.91Å; L180-F240 PolarHBondContact O-N 2.69Å; F182-F240 AromaticContact CD2-CD2 3.78Å; F182-F240 HydrophobicContact CD2-CD2 3.78Å; F182-F240 AromaticContact CD2-CE2 3.96Å; F182-F240 HydrophobicContact CD2-CE2 3.96Å; F182-F240 HydrophobicContact CE2-CD2 4.15Å; F196-F240 HydrophobicContact CD1-CZ 4.38Å; F196-F240 HydrophobicContact CE1-CE1 4.18Å; F196-F240 HydrophobicContact CE1-CZ 4.1Å; V203-F240 HydrophobicContact CG2-CB 3.78Å; V203-F240 HydrophobicContact CG2-CD1 3.51Å; V203-F240 HydrophobicContact CG2-CG 4.04Å; A221-F240 HydrophobicContact CB-CD1 3.36Å; A221-F240 HydrophobicContact CB-CE1 3.65Å; A221-F240 HydrophobicContact CB-CG 4.08Å; L238-F240 HydrophobicContact CB-CE2 3.89Å; L238-F240 HydrophobicContact CB-CZ 4.4Å
241	F	96.2	Very high	92.5	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	140.3	177.7	-66.3	-90.2	0	0	0	110.4	C178 F179 R219 P220 Y222 F224 T239 F243 H603	C178-F241 CarbonylContact O-C 3.32Å; C178-F241 WeakPolarHBondContact O-CA 3.35Å; F179-F241 HydrophobicContact CB-CD1 3.72Å; F179-F241 HydrophobicContact CB-CE1 3.81Å; F179-F241 HydrophobicContact CB-CG 4.4Å; F179-F241 HydrophobicContact CD1-CE1 4.5Å; F179-F241 HydrophobicContact CG-CE1 4.39Å; R219-F241 CarbonylContact C-O 3.54Å; R219-F241 WeakPolarHBondContact CA-O 3.18Å; P220-F241 HydrophobicContact CG-CB 4.16Å; P220-F241 PolarHBondContact O-N 2.82Å; Y222-F241 HydrophobicContact CD2-CD2 4.07Å; Y222-F241 HydrophobicContact CD2-CE2 4Å; F224-F241 HydrophobicContact CE2-CE2 4.06Å; F224-F241 HydrophobicContact CE2-CZ 4.29Å; F224-F241 HydrophobicContact CZ-CE2 4.37Å; F224-F241 HydrophobicContact CZ-CZ 4.48Å; T239-F241 HydrophobicContact CG2-CD2 4.14Å; T239-F241 HydrophobicContact CG2-CE1 4.22Å; T239-F241 HydrophobicContact CG2-CE2 3.58Å; T239-F241 HydrophobicContact CG2-CZ 3.63Å; F241-F243 HydrophobicContact CB-CD2 4.31Å; F241-F243 HydrophobicContact CB-CE2 3.77Å; F241-F243 HydrophobicContact CG-CE2 4.49Å; F241-H603 HydrophobicContact CE1-CB 4.47Å; F241-H603 AromaticContact CE1-CD2 3.72Å; F241-H603 AromaticContact CE1-CE1 3.78Å; F241-H603 AromaticContact CE1-CG 3.73Å; F241-H603 AromaticContact CE1-ND1 3.77Å; F241-H603 AromaticContact CE1-NE2 3.75Å; F241-H603 HydrophobicContact CZ-CB 4.04Å; F241-H603 AromaticContact CZ-CD2 3.87Å; F241-H603 AromaticContact CZ-CG 3.76Å
242	L	95.8	Very high	92.9	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	114.8	171.7	-63	178.1	0	0	0	108.7	L86 I88 H177 C178 L180 V203 L216 R219	L86-L242 HydrophobicContact CD2-CD1 3.96Å; I88-L242 HydrophobicContact CD1-CD1 4.38Å; I88-L242 HydrophobicContact CG2-CD1 4.18Å; H177-L242 WeakPolarHBondContact CA-O 3.23Å; C178-L242 PolarHBondContact N-O 3.02Å; C178-L242 PolarHBondContact O-N 3.44Å; L180-L242 HydrophobicContact CD1-CD1 4.18Å; V203-L242 HydrophobicContact CG2-CD2 4.16Å; L216-L242 HydrophobicContact CD1-CB 4.39Å; L216-L242 HydrophobicContact CD1-CD2 3.99Å; R219-L242 HydrophobicContact CB-CD2 4.12Å
243	F	94.7	Very high	93.3	Very high	13 Å²	13	41 Å²	41	6%	0.057	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.8	174.9	-68.5	-102.5	0	0	0	108.6	H177 V217 A218 P220 F241 V596 I599	H177-F243 HydrophobicContact CB-CD1 4.06Å; H177-F243 HydrophobicContact CB-CE1 4.1Å; V217-F243 HydrophobicContact CB-CB 4.29Å; V217-F243 PolarHBondContact N-O 3.31Å; A218-F243 HydrophobicContact CB-CB 4.01Å; A218-F243 HydrophobicContact CB-CD2 3.87Å; A218-F243 HydrophobicContact CB-CG 4.1Å; A218-F243 PolarHBondContact O-N 3.3Å; P220-F243 HydrophobicContact CG-CE2 4.01Å; F241-F243 HydrophobicContact CB-CD2 4.31Å; F241-F243 HydrophobicContact CB-CE2 3.77Å; F241-F243 HydrophobicContact CG-CE2 4.49Å; F243-V596 HydrophobicContact CD1-CG2 3.95Å; F243-V596 HydrophobicContact CD2-CG1 4.46Å; F243-V596 HydrophobicContact CD2-CG2 4.21Å; F243-V596 HydrophobicContact CE1-CB 4.19Å; F243-V596 HydrophobicContact CE1-CG1 4.43Å; F243-V596 HydrophobicContact CE1-CG2 3.8Å; F243-V596 HydrophobicContact CE2-CB 4.33Å; F243-V596 HydrophobicContact CE2-CG1 3.73Å; F243-V596 HydrophobicContact CE2-CG2 4.11Å; F243-V596 HydrophobicContact CG-CG2 4.15Å; F243-V596 HydrophobicContact CZ-CB 3.96Å; F243-V596 HydrophobicContact CZ-CG1 3.72Å; F243-V596 HydrophobicContact CZ-CG2 3.91Å; F243-I599 HydrophobicContact CD1-CD1 4.48Å; F243-I599 HydrophobicContact CE1-CB 4.21Å; F243-I599 HydrophobicContact CE1-CD1 3.66Å; F243-I599 HydrophobicContact CE1-CG1 4.16Å; F243-I599 HydrophobicContact CZ-CB 4.16Å; F243-I599 HydrophobicContact CZ-CD1 4.42Å; F243-I599 HydrophobicContact CZ-CG2 4.38Å
244	L	94	Very high	93.4	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.3	-173.4	-55.7	174.6	0	0	0	109.4	L76 L79 L86 Y175 Q176 W214 S215 L216	L76-L244 HydrophobicContact CD1-CD1 4.33Å; L76-L244 HydrophobicContact CD2-CD1 4.17Å; L76-L244 HydrophobicContact CD2-CD2 4.11Å; L79-L244 HydrophobicContact CD2-CD1 4.11Å; L86-L244 HydrophobicContact CD1-CD1 4.29Å; Y175-L244 CarbonylContact C-O 3.6Å; Y175-L244 WeakPolarHBondContact CA-O 3.22Å; Q176-L244 HydrophobicContact CB-CB 4.46Å; Q176-L244 PolarHBondContact N-O 3.46Å; Q176-L244 PolarHBondContact O-N 2.79Å; W214-L244 HydrophobicContact CE3-CB 3.81Å; W214-L244 HydrophobicContact CZ3-CB 4.34Å; S215-L244 CarbonylContact O-C 3.34Å; S215-L244 WeakPolarHBondContact O-CA 3.23Å; L216-L244 HydrophobicContact CD1-CD2 3.77Å
245	K	92.7	Very high	93.4	Very high	86 Å²	86	36.2 Å²	36.2	37%	0.374	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127	172.6	171.4	-170.5	-177.5	176.9	0	109.1	Y175 S215 V217	Y175-K245 HydrophobicContact CD1-CB 3.77Å; Y175-K245 HydrophobicContact CD1-CG 4.08Å; Y175-K245 HydrophobicContact CE1-CB 3.72Å; Y175-K245 HydrophobicContact CE1-CD 3.65Å; Y175-K245 HydrophobicContact CE1-CG 3.67Å; S215-K245 PolarHBondContact N-O 2.75Å; S215-K245 PolarHBondContact O-N 3.32Å; S215-K245 WeakPolarHBondContact OG-CB 3.34Å; S215-K245 PolarHBondContact OG-O 3.43Å; V217-K245 HydrophobicContact CG2-CB 3.57Å
246	R	92.8	Very high	93.2	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	142.2	178.5	-164.9	-175.9	-59.5	-98.3	2.8	111	E81 D174 E213 W214 P248	E81-R246 IonicContact OE1-CZ 3.63Å; E81-R246 IonicContact OE1-NH1 3.83Å; E81-R246 PolarHBondContact OE1-NH1 3.45Å; E81-R246 IonicContact OE1-NH2 3.89Å; E81-R246 PolarHBondContact OE1-NH2 3.19Å; D174-R246 PolarHBondContact O-N 3.36Å; D174-R246 WeakPolarHBondContact OD1-CB 3.35Å; D174-R246 WeakPolarHBondContact OD1-CD 3.46Å; D174-R246 IonicContact OD1-CZ 3.9Å; D174-R246 IonicContact OD1-NE 2.69Å; D174-R246 PolarHBondContact OD1-NE 2.96Å; D174-R246 IonicContact OD2-CZ 3.98Å; D174-R246 IonicContact OD2-NE 3.79Å; D174-R246 PolarHBondContact OD2-NE 3.19Å; D174-R246 IonicContact OD2-NH2 2.7Å; D174-R246 PolarHBondContact OD2-NH2 3.02Å; E213-R246 HydrophobicContact CG-CG 4.43Å; E213-R246 CarbonylContact O-C 3.58Å; E213-R246 IonicContact OE1-NH1 2.84Å; E213-R246 PolarHBondContact OE1-NH1 2.69Å; W214-R246 HydrophobicContact CE3-CB 4.05Å; W214-R246 HydrophobicContact CH2-CB 4.1Å; W214-R246 HydrophobicContact CH2-CG 4.34Å; W214-R246 VanDerWaalsContact CH2-CZ 3.43Å; W214-R246 VanDerWaalsContact CH2-NH2 3.28Å; W214-R246 VanDerWaalsContact CZ2-CZ 3.47Å; W214-R246 HydrophobicContact CZ3-CB 3.69Å; W214-R246 HydrophobicContact CZ3-CG 4.33Å; R246-P248 WeakPolarHBondContact O-CD 3.33Å
247	N	92.3	Very high	93	Very high	82 Å²	82	41.1 Å²	41.1	44%	0.439	21%	0.206	S	C	.	.			trans	-81.9	108.6	165.4	-175.1	-1.3	0	0	0	109.3	N212 E213 A249	N212-N247 PolarHBondContact O-ND2 2.92Å; E213-N247 WeakPolarHBondContact O-CB 3.05Å; E213-N247 PolarHBondContact O-N 3.41Å; N247-A249 VanDerWaalsContact C-N 3.26Å; N247-A249 PolarHBondContact O-N 3.44Å; N247-A249 PolarHBondContact OD1-N 2.93Å
248	P	90.7	Very high	92.9	Very high	36 Å²	36	42.9 Å²	42.9	23%	0.234	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.9	-168.9	33.1	-37.8	0	0	0	113.7	P172 F173 R246 F250 Y251 G252	P172-P248 HydrophobicContact CG-CB 4.46Å; F173-P248 HydrophobicContact CD1-CB 3.53Å; F173-P248 HydrophobicContact CD1-CG 3.78Å; F173-P248 HydrophobicContact CE1-CB 3.49Å; F173-P248 VanDerWaalsContact CE1-CB 3.49Å; F173-P248 HydrophobicContact CE1-CG 3.76Å; F173-P248 HydrophobicContact CG-CB 4.49Å; F173-P248 HydrophobicContact CZ-CB 4.42Å; R246-P248 WeakPolarHBondContact O-CD 3.33Å; P248-F250 PolarHBondContact O-N 3.05Å; P248-Y251 PolarHBondContact O-N 3.32Å; P248-G252 WeakPolarHBondContact O-CA 3.36Å; P248-G252 PolarHBondContact O-N 3.04Å
249	A	90.5	Very high	92.7	Very high	66 Å²	66	43.1 Å²	43.1	55%	0.545	22%	0.219	S	C	.	.	H	α-helix	trans	-57.3	-46.2	-168.2	0	0	0	0	0	113.6	N247 Y253	N247-A249 VanDerWaalsContact C-N 3.26Å; N247-A249 PolarHBondContact O-N 3.44Å; N247-A249 PolarHBondContact OD1-N 2.93Å; A249-Y253 PolarHBondContact O-N 3.48Å; A249-Y253 VanDerWaalsContact O-N 3.11Å
250	F	91.3	Very high	92.4	Very high	137 Å²	137	46.6 Å²	46.6	60%	0.601	24%	0.24	S	C	*	.	H	α-helix	trans	-64.4	-52.7	-178.8	178.2	-102.1	0	0	0	112.1	P248 G252 Y253 L254	P248-F250 PolarHBondContact O-N 3.05Å; F250-G252 VanDerWaalsContact C-N 3.32Å; F250-G252 PolarHBondContact O-N 3.46Å; F250-Y253 PolarHBondContact O-N 3.43Å; F250-L254 HydrophobicContact CE1-CD2 4.1Å; F250-L254 HydrophobicContact CZ-CD2 4.2Å; F250-L254 WeakPolarHBondContact O-CB 3.43Å; F250-L254 PolarHBondContact O-N 3.33Å
251	Y	90.6	Very high	92.2	Very high	34 Å²	34	50.6 Å²	50.6	13%	0.133	26%	0.261	C	S	.	.	H	α-helix	trans	-69.4	-30.1	179.1	-66.1	-74.7	0	0	0	112.6	F171 P172 E213 P248 L254 L255 V256	F171-Y251 HydrophobicContact CE1-CD1 4.28Å; F171-Y251 AromaticContact CZ-CD1 3.74Å; F171-Y251 HydrophobicContact CZ-CD1 3.74Å; F171-Y251 HydrophobicContact CZ-CD2 4.4Å; F171-Y251 AromaticContact CZ-CE1 3.9Å; F171-Y251 HydrophobicContact CZ-CE1 3.9Å; F171-Y251 AromaticContact CZ-CG 4Å; F171-Y251 HydrophobicContact CZ-CG 4Å; P172-Y251 HydrophobicContact CB-CD2 4.38Å; P172-Y251 HydrophobicContact CB-CG 4.18Å; E213-Y251 PolarHBondContact OE1-OH 2.7Å; P248-Y251 PolarHBondContact O-N 3.32Å; Y251-L254 PolarHBondContact O-N 2.66Å; Y251-L255 HydrophobicContact CD1-CD1 3.97Å; Y251-L255 VanDerWaalsContact O-CB 3.32Å; Y251-L255 WeakPolarHBondContact O-CB 3.23Å; Y251-L255 PolarHBondContact O-N 3.42Å; Y251-V256 PolarHBondContact O-N 3.14Å
252	G	90.2	Very high	92.1	Very high	19 Å²	19	51.9 Å²	51.9	20%	0.196	27%	0.268	C	S	.	.	I	π-helix	trans	-60.5	-45.2	172.2	0	0	0	0	0	111.8	P248 F250 V256 F257	P248-G252 WeakPolarHBondContact O-CA 3.36Å; P248-G252 PolarHBondContact O-N 3.04Å; F250-G252 VanDerWaalsContact C-N 3.32Å; F250-G252 PolarHBondContact O-N 3.46Å; G252-V256 WeakPolarHBondContact O-CB 3.38Å; G252-V256 PolarHBondContact O-N 3.3Å; G252-F257 PolarHBondContact O-N 3.03Å
253	Y	91.1	Very high	91.7	Very high	172 Å²	172	52.2 Å²	52.2	68%	0.675	27%	0.27	S	S	*	.	I	π-helix	trans	-72.1	-37.6	176.5	-175.7	-98.9	0	0	0	113.1	A249 F250 F257 P258	A249-Y253 PolarHBondContact O-N 3.48Å; A249-Y253 VanDerWaalsContact O-N 3.11Å; F250-Y253 PolarHBondContact O-N 3.43Å; Y253-F257 HydrophobicContact CE2-CD1 4.39Å; Y253-P258 VanDerWaalsContact O-CD 3.3Å; Y253-P258 WeakPolarHBondContact O-CD 3.3Å
254	L	91.8	Very high	91.4	Very high	73 Å²	73	55.8 Å²	55.8	38%	0.382	29%	0.293	S	S	.	.	I	π-helix	trans	-80.5	-38.1	-175.9	-176.2	61.5	0	0	0	113.7	F250 Y251 P258	F250-L254 HydrophobicContact CE1-CD2 4.1Å; F250-L254 HydrophobicContact CZ-CD2 4.2Å; F250-L254 WeakPolarHBondContact O-CB 3.43Å; F250-L254 PolarHBondContact O-N 3.33Å; Y251-L254 PolarHBondContact O-N 2.66Å; L254-P258 WeakPolarHBondContact O-CG 3.38Å
255	L	92.3	Very high	91.3	Very high	1 Å²	1	59 Å²	59	1%	0.005	31%	0.309	C	S	.	.	I	π-helix	trans	-110.7	-44.2	-171	-60.4	175.5	0	0	0	112.9	F171 Y251 C259 I296 L297 L311 Y315	F171-L255 HydrophobicContact CE1-CD1 3.79Å; Y251-L255 HydrophobicContact CD1-CD1 3.97Å; Y251-L255 VanDerWaalsContact O-CB 3.32Å; Y251-L255 WeakPolarHBondContact O-CB 3.23Å; Y251-L255 PolarHBondContact O-N 3.42Å; L255-C259 VanDerWaalsContact O-CB 3.23Å; L255-C259 WeakPolarHBondContact O-CB 3.18Å; L255-I296 HydrophobicContact CD2-CB 4.28Å; L255-I296 HydrophobicContact CD2-CG2 3.73Å; L255-L297 HydrophobicContact CD1-CD1 4.32Å; L255-L311 HydrophobicContact CB-CD2 4.13Å; L255-Y315 PolarHBondContact O-OH 2.83Å
256	V	90.7	Very high	91.1	Very high	25 Å²	25	54.9 Å²	54.9	15%	0.152	29%	0.292	C	S	.	.	I	π-helix	trans	-80	-44.2	-174.6	-176.6	0	0	0	0	111	Y251 G252 C259 V260 L587	Y251-V256 PolarHBondContact O-N 3.14Å; G252-V256 WeakPolarHBondContact O-CB 3.38Å; G252-V256 PolarHBondContact O-N 3.3Å; V256-C259 WeakPolarHBondContact O-CB 3.3Å; V256-C259 PolarHBondContact O-N 3.03Å; V256-V260 HydrophobicContact CG1-CG2 4.43Å; V256-V260 WeakPolarHBondContact O-CG2 3.07Å; V256-V260 PolarHBondContact O-N 3.4Å; V256-L587 HydrophobicContact CG1-CD2 4.36Å
257	F	91.1	Very high	90.7	Very high	104 Å²	104	56.7 Å²	56.7	46%	0.456	30%	0.303	S	S	.	.	H	α-helix	trans	-63.8	-49.5	-177.1	176.2	-101.3	0	0	0	114	G252 Y253 C259 V260 L261	G252-F257 PolarHBondContact O-N 3.03Å; Y253-F257 HydrophobicContact CE2-CD1 4.39Å; F257-C259 PolarHBondContact O-N 2.91Å; F257-V260 PolarHBondContact O-N 2.68Å; F257-L261 HydrophobicContact CD1-CD1 4.05Å; F257-L261 HydrophobicContact CE1-CD1 3.47Å; F257-L261 VanDerWaalsContact CE1-CD1 3.47Å; F257-L261 HydrophobicContact CE1-CG 4.3Å; F257-L261 HydrophobicContact CE2-CD1 4.38Å; F257-L261 HydrophobicContact CE2-CG 4.43Å; F257-L261 HydrophobicContact CZ-CD1 3.66Å; F257-L261 HydrophobicContact CZ-CD2 4.4Å; F257-L261 HydrophobicContact CZ-CG 4.17Å; F257-L261 PolarHBondContact O-N 3.18Å; F257-L261 VanDerWaalsContact O-N 3.1Å
258	P	92.7	Very high	90.3	Very high	39 Å²	39	57 Å²	57	25%	0.253	31%	0.308	S	S	.	.	H	α-helix	trans	-61.5	-33.4	175.3	-25.7	37.1	0	0	0	112.5	Y253 L254 L261 L262 L293	Y253-P258 VanDerWaalsContact O-CD 3.3Å; Y253-P258 WeakPolarHBondContact O-CD 3.3Å; L254-P258 WeakPolarHBondContact O-CG 3.38Å; P258-L261 PolarHBondContact O-N 3.38Å; P258-L262 WeakPolarHBondContact O-CB 3.37Å; P258-L262 VanDerWaalsContact O-CG 3.26Å; P258-L262 WeakPolarHBondContact O-CG 3.48Å; P258-L262 PolarHBondContact O-N 2.94Å; P258-L293 HydrophobicContact CB-CD1 4.45Å; P258-L293 HydrophobicContact CB-CD2 4.39Å
259	C	92.2	Very high	90	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.027	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-46.2	175.6	168.2	0	0	0	0	112.2	L255 V256 F257 L261 L262 S263 L293 F314 Y315	L255-C259 VanDerWaalsContact O-CB 3.23Å; L255-C259 WeakPolarHBondContact O-CB 3.18Å; V256-C259 WeakPolarHBondContact O-CB 3.3Å; V256-C259 PolarHBondContact O-N 3.03Å; F257-C259 PolarHBondContact O-N 2.91Å; C259-L261 VanDerWaalsContact C-N 3.33Å; C259-L261 PolarHBondContact O-N 3.18Å; C259-L262 PolarHBondContact O-N 3.05Å; C259-S263 WeakPolarHBondContact O-CB 3.39Å; C259-S263 PolarHBondContact O-N 3.24Å; C259-S263 PolarHBondContact O-OG 2.89Å; C259-L293 HydrophobicContact CB-CD1 4.38Å; C259-F314 WeakPolarHBondContact SG-CE1 3.41Å; C259-Y315 HydrophobicContact CB-CE1 3.78Å; C259-Y315 VanDerWaalsContact SG-CE1 3.59Å
260	V	90.1	Very high	89.6	Confident	74 Å²	74	52.9 Å²	52.9	45%	0.448	27%	0.274	S	S	.	.	H	α-helix	trans	-60.4	-44.6	176	173.2	0	0	0	0	110.4	V256 F257 S263 V264	V256-V260 HydrophobicContact CG1-CG2 4.43Å; V256-V260 WeakPolarHBondContact O-CG2 3.07Å; V256-V260 PolarHBondContact O-N 3.4Å; F257-V260 PolarHBondContact O-N 2.68Å; V260-S263 PolarHBondContact O-N 3.28Å; V260-V264 WeakPolarHBondContact O-CG2 3.47Å; V260-V264 PolarHBondContact O-N 3.2Å
261	L	92.6	Very high	89.1	Confident	85 Å²	85	56 Å²	56	45%	0.445	28%	0.282	S	S	.	.	H	α-helix	trans	-60.3	-46.8	176.7	-68.9	177.5	0	0	0	112.2	F257 P258 C259 S263 V264 I265	F257-L261 HydrophobicContact CD1-CD1 4.05Å; F257-L261 HydrophobicContact CE1-CD1 3.47Å; F257-L261 VanDerWaalsContact CE1-CD1 3.47Å; F257-L261 HydrophobicContact CE1-CG 4.3Å; F257-L261 HydrophobicContact CE2-CD1 4.38Å; F257-L261 HydrophobicContact CE2-CG 4.43Å; F257-L261 HydrophobicContact CZ-CD1 3.66Å; F257-L261 HydrophobicContact CZ-CD2 4.4Å; F257-L261 HydrophobicContact CZ-CG 4.17Å; F257-L261 PolarHBondContact O-N 3.18Å; F257-L261 VanDerWaalsContact O-N 3.1Å; P258-L261 PolarHBondContact O-N 3.38Å; C259-L261 VanDerWaalsContact C-N 3.33Å; C259-L261 PolarHBondContact O-N 3.18Å; L261-S263 VanDerWaalsContact C-N 3.35Å; L261-S263 PolarHBondContact O-N 2.91Å; L261-V264 PolarHBondContact O-N 3.49Å; L261-I265 WeakPolarHBondContact O-CG1 3.46Å; L261-I265 PolarHBondContact O-N 3.47Å
262	L	93.1	Very high	88.7	Confident	28 Å²	28	57.2 Å²	57.2	15%	0.147	29%	0.29	C	S	.	.	H	α-helix	trans	-61.9	-42.2	177.5	-72	172.7	0	0	0	111.6	P258 C259 V264 I265 T266 I286 A289 F290 L293	P258-L262 WeakPolarHBondContact O-CB 3.37Å; P258-L262 VanDerWaalsContact O-CG 3.26Å; P258-L262 WeakPolarHBondContact O-CG 3.48Å; P258-L262 PolarHBondContact O-N 2.94Å; C259-L262 PolarHBondContact O-N 3.05Å; L262-V264 VanDerWaalsContact C-N 3.27Å; L262-V264 PolarHBondContact O-N 3.32Å; L262-I265 PolarHBondContact O-N 2.93Å; L262-I265 VanDerWaalsContact O-N 3.17Å; L262-T266 WeakPolarHBondContact O-CG2 3.46Å; L262-T266 PolarHBondContact O-N 2.89Å; L262-T266 PolarHBondContact O-OG1 3.4Å; L262-I286 HydrophobicContact CD2-CG2 4.39Å; L262-A289 HydrophobicContact CD1-CB 3.79Å; L262-A289 HydrophobicContact CD2-CB 3.99Å; L262-F290 HydrophobicContact CB-CE1 4.12Å; L262-F290 HydrophobicContact CB-CE2 4.07Å; L262-F290 HydrophobicContact CB-CZ 3.64Å; L262-F290 HydrophobicContact CD1-CD1 4.39Å; L262-F290 HydrophobicContact CD1-CE1 4.31Å; L262-F290 HydrophobicContact CD1-CZ 4.48Å; L262-L293 HydrophobicContact CD1-CD1 3.63Å
263	S	89	Confident	88.1	Confident	10 Å²	10	58.5 Å²	58.5	7%	0.07	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-26.3	176	-70.7	0	0	0	0	113.9	C259 V260 L261 T266 T267	C259-S263 WeakPolarHBondContact O-CB 3.39Å; C259-S263 PolarHBondContact O-N 3.24Å; C259-S263 PolarHBondContact O-OG 2.89Å; V260-S263 PolarHBondContact O-N 3.28Å; L261-S263 VanDerWaalsContact C-N 3.35Å; L261-S263 PolarHBondContact O-N 2.91Å; S263-T266 VanDerWaalsContact C-OG1 3.25Å; S263-T266 WeakPolarHBondContact CA-OG1 3.32Å; S263-T266 PolarHBondContact O-OG1 2.99Å; S263-T267 PolarHBondContact O-OG1 3.1Å; S263-T267 VanDerWaalsContact O-OG1 3.13Å
264	V	88.2	Confident	87.2	Confident	88 Å²	88	50.8 Å²	50.8	53%	0.533	27%	0.267	S	S	.	.	H	α-helix	trans	-74.2	-43.8	170.7	173.2	0	0	0	0	110.4	V260 L261 L262 T266 T267 V268	V260-V264 WeakPolarHBondContact O-CG2 3.47Å; V260-V264 PolarHBondContact O-N 3.2Å; L261-V264 PolarHBondContact O-N 3.49Å; L262-V264 VanDerWaalsContact C-N 3.27Å; L262-V264 PolarHBondContact O-N 3.32Å; V264-T266 VanDerWaalsContact C-N 3.33Å; V264-T266 PolarHBondContact O-N 3.48Å; V264-T267 WeakPolarHBondContact O-CB 3.46Å; V264-T267 PolarHBondContact O-N 3.22Å; V264-T267 VanDerWaalsContact O-N 3.12Å; V264-V268 PolarHBondContact O-N 2.61Å
265	I	90.9	Very high	86.3	Confident	72 Å²	72	50.3 Å²	50.3	37%	0.369	26%	0.262	S	S	.	.	H	α-helix	trans	-63.5	-38	179.7	-62.4	165.7	0	0	0	111.4	L261 L262 T267 V268 I269 I286	L261-I265 WeakPolarHBondContact O-CG1 3.46Å; L261-I265 PolarHBondContact O-N 3.47Å; L262-I265 PolarHBondContact O-N 2.93Å; L262-I265 VanDerWaalsContact O-N 3.17Å; I265-T267 VanDerWaalsContact C-N 3.28Å; I265-T267 PolarHBondContact O-N 2.65Å; I265-V268 WeakPolarHBondContact O-CA 3.4Å; I265-V268 WeakPolarHBondContact O-CB 3.43Å; I265-V268 PolarHBondContact O-N 2.78Å; I265-I269 PolarHBondContact O-N 3.33Å; I265-I269 VanDerWaalsContact O-N 3.16Å; I265-I286 HydrophobicContact CB-CD1 4.11Å; I265-I286 HydrophobicContact CG2-CD1 3.52Å
266	T	88.7	Confident	85.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-34.5	174.8	49.7	0	0	0	0	112.7	L262 S263 V264 V268 I269 F270 I286 F290 L322 Y575	L262-T266 WeakPolarHBondContact O-CG2 3.46Å; L262-T266 PolarHBondContact O-N 2.89Å; L262-T266 PolarHBondContact O-OG1 3.4Å; S263-T266 VanDerWaalsContact C-OG1 3.25Å; S263-T266 WeakPolarHBondContact CA-OG1 3.32Å; S263-T266 PolarHBondContact O-OG1 2.99Å; V264-T266 VanDerWaalsContact C-N 3.33Å; V264-T266 PolarHBondContact O-N 3.48Å; T266-V268 VanDerWaalsContact C-N 3.26Å; T266-V268 PolarHBondContact O-N 3.32Å; T266-I269 WeakPolarHBondContact O-CB 3.41Å; T266-I269 PolarHBondContact O-N 2.93Å; T266-I269 VanDerWaalsContact O-N 3.17Å; T266-F270 WeakPolarHBondContact O-CD2 3.49Å; T266-F270 WeakPolarHBondContact O-CE2 3.32Å; T266-I286 HydrophobicContact CG2-CD1 3.89Å; T266-I286 HydrophobicContact CG2-CG2 3.6Å; T266-F290 HydrophobicContact CG2-CE2 4.17Å; T266-L322 HydrophobicContact CG2-CD1 3.99Å; T266-L322 HydrophobicContact CG2-CD2 3.66Å; T266-L322 HydrophobicContact CG2-CG 4.29Å; T266-Y575 VanDerWaalsContact CB-OH 3.28Å; T266-Y575 WeakPolarHBondContact CB-OH 3.33Å; T266-Y575 WeakPolarHBondContact OG1-CE1 3.34Å; T266-Y575 PolarHBondContact OG1-OH 3.49Å
267	T	84.2	Confident	85.4	Confident	41 Å²	41	57.1 Å²	57.1	25%	0.252	30%	0.302	S	S	.	.	H	α-helix	trans	-61.2	-38.5	172.9	-54.8	0	0	0	0	110.9	S263 V264 I265 I269 F270	S263-T267 PolarHBondContact O-OG1 3.1Å; S263-T267 VanDerWaalsContact O-OG1 3.13Å; V264-T267 WeakPolarHBondContact O-CB 3.46Å; V264-T267 PolarHBondContact O-N 3.22Å; V264-T267 VanDerWaalsContact O-N 3.12Å; I265-T267 VanDerWaalsContact C-N 3.28Å; I265-T267 PolarHBondContact O-N 2.65Å; T267-I269 VanDerWaalsContact C-N 3.33Å; T267-I269 PolarHBondContact O-N 3.42Å; T267-F270 PolarHBondContact O-N 3.35Å
268	V	84.5	Confident	85.2	Confident	90 Å²	90	54.4 Å²	54.4	55%	0.545	30%	0.299	S	S	.	.	H	α-helix	trans	-66.1	-32.6	176.2	-178.1	0	0	0	0	112.2	V264 I265 T266 F270 W271 L272	V264-V268 PolarHBondContact O-N 2.61Å; I265-V268 WeakPolarHBondContact O-CA 3.4Å; I265-V268 WeakPolarHBondContact O-CB 3.43Å; I265-V268 PolarHBondContact O-N 2.78Å; T266-V268 VanDerWaalsContact C-N 3.26Å; T266-V268 PolarHBondContact O-N 3.32Å; V268-F270 PolarHBondContact O-N 3.13Å; V268-W271 WeakPolarHBondContact O-CB 3.35Å; V268-W271 PolarHBondContact O-N 3.45Å; V268-L272 PolarHBondContact O-N 3.5Å
269	I	84.8	Confident	84.8	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-57.3	-39.1	176.8	-67.6	-179.8	0	0	0	111.6	I265 T266 T267 W271 L272 K279 L282 I286	I265-I269 PolarHBondContact O-N 3.33Å; I265-I269 VanDerWaalsContact O-N 3.16Å; T266-I269 WeakPolarHBondContact O-CB 3.41Å; T266-I269 PolarHBondContact O-N 2.93Å; T266-I269 VanDerWaalsContact O-N 3.17Å; T267-I269 VanDerWaalsContact C-N 3.33Å; T267-I269 PolarHBondContact O-N 3.42Å; I269-W271 PolarHBondContact O-N 2.84Å; I269-L272 WeakPolarHBondContact O-CB 3.43Å; I269-L272 PolarHBondContact O-N 2.95Å; I269-L272 VanDerWaalsContact O-N 3.11Å; I269-K279 HydrophobicContact CG2-CG 3.81Å; I269-L282 HydrophobicContact CD1-CD2 4.25Å; I269-L282 HydrophobicContact CD1-CG 3.92Å; I269-L282 HydrophobicContact CG1-CD2 3.7Å; I269-L282 HydrophobicContact CG1-CG 3.96Å; I269-I286 HydrophobicContact CD1-CD1 3.5Å; I269-I286 HydrophobicContact CG1-CD1 4.35Å
270	F	81.2	Confident	84.5	Confident	10 Å²	10	56.4 Å²	56.4	4%	0.044	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-14.7	-178.5	-60.6	-75.4	0	0	0	113.7	T266 T267 V268 S325 F571 C572 Y575	T266-F270 WeakPolarHBondContact O-CD2 3.49Å; T266-F270 WeakPolarHBondContact O-CE2 3.32Å; T267-F270 PolarHBondContact O-N 3.35Å; V268-F270 PolarHBondContact O-N 3.13Å; F270-S325 WeakPolarHBondContact CE1-OG 3.27Å; F270-F571 HydrophobicContact CD1-CB 3.94Å; F270-F571 HydrophobicContact CE1-CB 3.75Å; F270-C572 HydrophobicContact CB-CB 3.43Å; F270-C572 VanDerWaalsContact CB-CB 3.43Å; F270-C572 HydrophobicContact CD2-CB 4.31Å; F270-C572 HydrophobicContact CG-CB 3.91Å; F270-Y575 HydrophobicContact CD2-CD1 4.24Å; F270-Y575 HydrophobicContact CD2-CG 4.41Å; F270-Y575 AromaticContact CE2-CD1 3.46Å; F270-Y575 HydrophobicContact CE2-CD1 3.46Å; F270-Y575 VanDerWaalsContact CE2-CD1 3.46Å; F270-Y575 AromaticContact CE2-CD2 3.97Å; F270-Y575 HydrophobicContact CE2-CD2 3.97Å; F270-Y575 HydrophobicContact CE2-CE1 4.11Å; F270-Y575 AromaticContact CE2-CG 3.37Å; F270-Y575 HydrophobicContact CE2-CG 3.37Å; F270-Y575 HydrophobicContact CZ-CD1 4.29Å; F270-Y575 HydrophobicContact CZ-CD2 4Å; F270-Y575 AromaticContact CZ-CG 3.74Å; F270-Y575 HydrophobicContact CZ-CG 3.74Å
271	W	80.2	Confident	84.5	Confident	203 Å²	203	57.5 Å²	57.5	77%	0.769	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-19.8	171.1	-75.7	63.1	0	0	0	112.3	V268 I269	V268-W271 WeakPolarHBondContact O-CB 3.35Å; V268-W271 PolarHBondContact O-N 3.45Å; I269-W271 PolarHBondContact O-N 2.84Å
272	L	83.4	Confident	84.5	Confident	59 Å²	59	56.4 Å²	56.4	31%	0.309	30%	0.302	S	S	.	.	S	Bend	trans	-77.9	129.8	-178.4	-156.8	72.1	0	0	0	110.3	V268 I269 I276 K279	V268-L272 PolarHBondContact O-N 3.5Å; I269-L272 WeakPolarHBondContact O-CB 3.43Å; I269-L272 PolarHBondContact O-N 2.95Å; I269-L272 VanDerWaalsContact O-N 3.11Å; L272-I276 HydrophobicContact CD1-CD1 4.48Å; L272-I276 HydrophobicContact CG-CD1 4.47Å; L272-K279 HydrophobicContact CD2-CB 4.04Å
273	P	76.8	Confident	84.3	Confident	47 Å²	47	55.6 Å²	55.6	31%	0.305	30%	0.299	S	S	.	.			trans	-63.8	136.8	-177.8	23.9	-32.5	0	0	0	110.9	Q275 I276	P273-Q275 PolarHBondContact O-N 3.48Å; P273-I276 HydrophobicContact CG-CD1 3.62Å; P273-I276 HydrophobicContact CG-CG1 4.05Å; P273-I276 PolarHBondContact O-N 2.83Å
274	P	72.8	Confident	84.4	Confident	10 Å²	10	60.8 Å²	60.8	7%	0.065	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-6.5	-171.2	23.5	-31.8	0	0	0	114.7	I276 K279 V333 L564 D568	P274-I276 VanDerWaalsContact C-N 3.31Å; P274-K279 HydrophobicContact CB-CD 4.26Å; P274-V333 WeakPolarHBondContact O-CG2 3.45Å; P274-L564 HydrophobicContact CB-CD2 4.01Å; P274-L564 HydrophobicContact CG-CB 3.62Å; P274-L564 HydrophobicContact CG-CD1 4.1Å; P274-L564 HydrophobicContact CG-CD2 3.44Å; P274-L564 VanDerWaalsContact CG-CD2 3.44Å; P274-L564 HydrophobicContact CG-CG 3.91Å; P274-D568 VanDerWaalsContact CD-OD2 3.29Å; P274-D568 WeakPolarHBondContact CD-OD2 3.37Å; P274-D568 WeakPolarHBondContact CG-OD2 3.47Å
275	Q	71.7	Confident	84.7	Confident	63 Å²	63	60.9 Å²	60.9	29%	0.294	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-17.8	177.1	-60.7	-175.4	-5.2	0	0	112.9	P273 R561 L564	P273-Q275 PolarHBondContact O-N 3.48Å; Q275-R561 VanDerWaalsContact NE2-CG 3.26Å; Q275-L564 HydrophobicContact CG-CD1 4.45Å
276	I	81.6	Confident	84.8	Confident	72 Å²	72	57.8 Å²	57.8	37%	0.369	31%	0.305	S	S	.	.	S	Bend	trans	-85.5	120.8	-178.1	-53.5	178.2	0	0	0	108.4	L272 P273 P274 A278 K279	L272-I276 HydrophobicContact CD1-CD1 4.48Å; L272-I276 HydrophobicContact CG-CD1 4.47Å; P273-I276 HydrophobicContact CG-CD1 3.62Å; P273-I276 HydrophobicContact CG-CG1 4.05Å; P273-I276 PolarHBondContact O-N 2.83Å; P274-I276 VanDerWaalsContact C-N 3.31Å; I276-A278 HydrophobicContact CG2-CB 3.62Å; I276-A278 PolarHBondContact O-N 2.75Å; I276-K279 WeakPolarHBondContact O-CB 3.46Å; I276-K279 PolarHBondContact O-N 3.34Å
277	P	83.5	Confident	85.1	Confident	96 Å²	96	61.4 Å²	61.4	62%	0.623	32%	0.321	S	S	*	.	H	α-helix	trans	-58.9	-24.1	178.8	23.3	-33.5	0	0	0	112.9	K279 M280 I281	P277-K279 PolarHBondContact O-N 2.98Å; P277-M280 PolarHBondContact O-N 3.24Å; P277-M280 VanDerWaalsContact O-N 3.15Å; P277-I281 PolarHBondContact O-N 2.86Å
278	A	86.5	Confident	85.6	Confident	47 Å²	47	63 Å²	63	39%	0.388	33%	0.33	S	S	.	.	H	α-helix	trans	-55.8	-30.9	173.4	0	0	0	0	0	113.5	I276 M280 I281 L282	I276-A278 HydrophobicContact CG2-CB 3.62Å; I276-A278 PolarHBondContact O-N 2.75Å; A278-M280 PolarHBondContact O-N 3.49Å; A278-I281 PolarHBondContact O-N 3.07Å; A278-L282 VanDerWaalsContact O-CB 3.24Å; A278-L282 WeakPolarHBondContact O-CB 3.33Å; A278-L282 PolarHBondContact O-N 3Å
279	K	85.6	Confident	86.2	Confident	4 Å²	4	60 Å²	60	2%	0.017	32%	0.315	C	S	.	.	H	α-helix	trans	-60.1	-46.7	176.3	-171	-171.9	178.7	-168.2	0	111.3	I269 L272 P274 I276 P277 S283 S329 D568	I269-K279 HydrophobicContact CG2-CG 3.81Å; L272-K279 HydrophobicContact CD2-CB 4.04Å; P274-K279 HydrophobicContact CB-CD 4.26Å; I276-K279 WeakPolarHBondContact O-CB 3.46Å; I276-K279 PolarHBondContact O-N 3.34Å; P277-K279 PolarHBondContact O-N 2.98Å; K279-S283 WeakPolarHBondContact O-CB 3.36Å; K279-S283 PolarHBondContact O-N 2.94Å; K279-S283 PolarHBondContact O-OG 3.16Å; K279-S329 PolarHBondContact NZ-OG 3.39Å; K279-D568 IonicContact NZ-OD1 2.98Å; K279-D568 PolarHBondContact NZ-OD1 3.44Å; K279-D568 IonicContact NZ-OD2 2.75Å; K279-D568 PolarHBondContact NZ-OD2 3.01Å
280	M	85.3	Confident	86.6	Confident	82 Å²	82	59.8 Å²	59.8	40%	0.404	31%	0.314	S	S	.	.	H	α-helix	trans	-67.8	-43.9	-179.2	-66.4	-177.9	62.5	0	0	111.2	P277 A278 L282 S283 M284 T330	P277-M280 PolarHBondContact O-N 3.24Å; P277-M280 VanDerWaalsContact O-N 3.15Å; A278-M280 PolarHBondContact O-N 3.49Å; M280-L282 PolarHBondContact O-N 3.48Å; M280-S283 WeakPolarHBondContact CA-OG 3.4Å; M280-S283 PolarHBondContact O-N 3.41Å; M280-S283 PolarHBondContact O-OG 2.95Å; M280-M284 PolarHBondContact O-N 2.93Å; M280-T330 HydrophobicContact CE-CG2 3.46Å; M280-T330 VanDerWaalsContact CE-CG2 3.46Å; M280-T330 HydrophobicContact SD-CG2 4.31Å
281	I	90.2	Very high	87.3	Confident	96 Å²	96	61.4 Å²	61.4	49%	0.492	33%	0.326	S	S	.	.	H	α-helix	trans	-61.4	-47	177.4	-63.2	170.1	0	0	0	110.7	P277 A278 S283 M284 N285	P277-I281 PolarHBondContact O-N 2.86Å; A278-I281 PolarHBondContact O-N 3.07Å; I281-S283 VanDerWaalsContact C-N 3.34Å; I281-S283 PolarHBondContact O-N 2.91Å; I281-M284 PolarHBondContact O-N 2.86Å; I281-N285 PolarHBondContact O-N 3.11Å
282	L	91.4	Very high	88	Confident	63 Å²	63	56.6 Å²	56.6	33%	0.33	32%	0.315	S	S	.	.	H	α-helix	trans	-61.3	-42.9	178.5	-177.5	58.3	0	0	0	111.5	I269 A278 M280 M284 N285 I286	I269-L282 HydrophobicContact CD1-CD2 4.25Å; I269-L282 HydrophobicContact CD1-CG 3.92Å; I269-L282 HydrophobicContact CG1-CD2 3.7Å; I269-L282 HydrophobicContact CG1-CG 3.96Å; A278-L282 VanDerWaalsContact O-CB 3.24Å; A278-L282 WeakPolarHBondContact O-CB 3.33Å; A278-L282 PolarHBondContact O-N 3Å; M280-L282 PolarHBondContact O-N 3.48Å; L282-M284 PolarHBondContact O-N 2.97Å; L282-N285 PolarHBondContact O-N 3.44Å; L282-I286 HydrophobicContact CD1-CD1 4.39Å; L282-I286 HydrophobicContact CD1-CG1 4.48Å; L282-I286 HydrophobicContact CG-CD1 4.39Å; L282-I286 WeakPolarHBondContact O-CG1 3.49Å; L282-I286 PolarHBondContact O-N 3Å
283	S	90.2	Very high	88.5	Confident	10 Å²	10	54.5 Å²	54.5	7%	0.07	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-38.9	177.8	67.6	0	0	0	0	113.6	K279 M280 I281 I286 F287 T326	K279-S283 WeakPolarHBondContact O-CB 3.36Å; K279-S283 PolarHBondContact O-N 2.94Å; K279-S283 PolarHBondContact O-OG 3.16Å; M280-S283 WeakPolarHBondContact CA-OG 3.4Å; M280-S283 PolarHBondContact O-N 3.41Å; M280-S283 PolarHBondContact O-OG 2.95Å; I281-S283 VanDerWaalsContact C-N 3.34Å; I281-S283 PolarHBondContact O-N 2.91Å; S283-I286 PolarHBondContact O-N 3.29Å; S283-F287 PolarHBondContact O-N 2.89Å; S283-T326 WeakPolarHBondContact OG-CG2 3.36Å
284	M	91.1	Very high	89.3	Confident	119 Å²	119	54.8 Å²	54.8	59%	0.586	30%	0.303	S	S	*	.	H	α-helix	trans	-66.3	-42.6	175.8	-173	176.3	76.5	0	0	111.3	M280 I281 L282 I286 F287 V288	M280-M284 PolarHBondContact O-N 2.93Å; I281-M284 PolarHBondContact O-N 2.86Å; L282-M284 PolarHBondContact O-N 2.97Å; M284-I286 VanDerWaalsContact C-N 3.34Å; M284-I286 PolarHBondContact O-N 2.91Å; M284-F287 WeakPolarHBondContact O-CB 3.13Å; M284-F287 PolarHBondContact O-N 3.37Å; M284-V288 WeakPolarHBondContact O-CG2 3.4Å; M284-V288 PolarHBondContact O-N 3.5Å
285	N	93.8	Very high	90.3	Very high	91 Å²	91	61.2 Å²	61.2	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-62.8	-40.5	177.8	-71.2	-15	0	0	0	112.1	I281 L282 V288 A289	I281-N285 PolarHBondContact O-N 3.11Å; L282-N285 PolarHBondContact O-N 3.44Å; N285-V288 PolarHBondContact O-N 3.04Å; N285-A289 PolarHBondContact O-N 3.43Å
286	I	93.3	Very high	91.3	Very high	7 Å²	7	61.6 Å²	61.6	4%	0.036	33%	0.333	C	S	.	.	H	α-helix	trans	-68.5	-37.9	176.1	-64.4	179.5	0	0	0	111.5	L262 I265 T266 I269 L282 S283 M284 V288 A289 F290 L322	L262-I286 HydrophobicContact CD2-CG2 4.39Å; I265-I286 HydrophobicContact CB-CD1 4.11Å; I265-I286 HydrophobicContact CG2-CD1 3.52Å; T266-I286 HydrophobicContact CG2-CD1 3.89Å; T266-I286 HydrophobicContact CG2-CG2 3.6Å; I269-I286 HydrophobicContact CD1-CD1 3.5Å; I269-I286 HydrophobicContact CG1-CD1 4.35Å; L282-I286 HydrophobicContact CD1-CD1 4.39Å; L282-I286 HydrophobicContact CD1-CG1 4.48Å; L282-I286 HydrophobicContact CG-CD1 4.39Å; L282-I286 WeakPolarHBondContact O-CG1 3.49Å; L282-I286 PolarHBondContact O-N 3Å; S283-I286 PolarHBondContact O-N 3.29Å; M284-I286 VanDerWaalsContact C-N 3.34Å; M284-I286 PolarHBondContact O-N 2.91Å; I286-V288 VanDerWaalsContact C-N 3.31Å; I286-V288 PolarHBondContact O-N 2.83Å; I286-A289 WeakPolarHBondContact O-CB 3.49Å; I286-A289 PolarHBondContact O-N 3.5Å; I286-A289 VanDerWaalsContact O-N 3.16Å; I286-F290 HydrophobicContact CG2-CD2 3.59Å; I286-F290 HydrophobicContact CG2-CE2 3.47Å; I286-F290 VanDerWaalsContact CG2-CE2 3.47Å; I286-F290 WeakPolarHBondContact O-CD2 3.38Å; I286-F290 PolarHBondContact O-N 3.36Å; I286-L322 HydrophobicContact CG2-CD1 3.84Å
287	F	94.1	Very high	91.8	Very high	76 Å²	76	58.4 Å²	58.4	33%	0.333	32%	0.317	S	S	.	.	H	α-helix	trans	-58.5	-44.9	173.9	-178.8	-84.5	0	0	0	111.5	S283 M284 A289 F290 S291 M319 S323	S283-F287 PolarHBondContact O-N 2.89Å; M284-F287 WeakPolarHBondContact O-CB 3.13Å; M284-F287 PolarHBondContact O-N 3.37Å; F287-A289 VanDerWaalsContact C-N 3.35Å; F287-F290 PolarHBondContact O-N 3.42Å; F287-S291 WeakPolarHBondContact O-CB 3.42Å; F287-S291 PolarHBondContact O-N 3.22Å; F287-S291 PolarHBondContact O-OG 3.28Å; F287-M319 HydrophobicContact CD2-CB 4.09Å; F287-M319 HydrophobicContact CD2-CG 4.05Å; F287-M319 HydrophobicContact CE2-CB 3.78Å; F287-M319 HydrophobicContact CE2-CG 4Å; F287-M319 HydrophobicContact CE2-SD 4.36Å; F287-M319 HydrophobicContact CZ-SD 4.43Å; F287-S323 WeakPolarHBondContact CE2-OG 3.41Å
288	V	96.1	Very high	92.1	Very high	73 Å²	73	56.4 Å²	56.4	44%	0.442	31%	0.308	S	S	.	.	H	α-helix	trans	-62.7	-42.2	174.6	174.5	0	0	0	0	110.8	M284 N285 I286 F290 S291 L292	M284-V288 WeakPolarHBondContact O-CG2 3.4Å; M284-V288 PolarHBondContact O-N 3.5Å; N285-V288 PolarHBondContact O-N 3.04Å; I286-V288 VanDerWaalsContact C-N 3.31Å; I286-V288 PolarHBondContact O-N 2.83Å; V288-F290 PolarHBondContact O-N 2.89Å; V288-S291 WeakPolarHBondContact O-CB 3.41Å; V288-S291 PolarHBondContact O-N 2.92Å; V288-S291 VanDerWaalsContact O-N 3.17Å; V288-L292 HydrophobicContact CG1-CD1 4.24Å; V288-L292 HydrophobicContact CG1-CG 4.45Å; V288-L292 WeakPolarHBondContact O-CG 3.29Å; V288-L292 PolarHBondContact O-N 3.29Å
289	A	96	Very high	92.1	Very high	27 Å²	27	59.4 Å²	59.4	22%	0.223	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-44.8	177.3	0	0	0	0	0	112.5	L262 N285 I286 F287 S291 L292 L293	L262-A289 HydrophobicContact CD1-CB 3.79Å; L262-A289 HydrophobicContact CD2-CB 3.99Å; N285-A289 PolarHBondContact O-N 3.43Å; I286-A289 WeakPolarHBondContact O-CB 3.49Å; I286-A289 PolarHBondContact O-N 3.5Å; I286-A289 VanDerWaalsContact O-N 3.16Å; F287-A289 VanDerWaalsContact C-N 3.35Å; A289-S291 VanDerWaalsContact C-N 3.34Å; A289-S291 PolarHBondContact O-N 2.95Å; A289-L292 PolarHBondContact O-N 2.95Å; A289-L293 PolarHBondContact O-N 3.43Å
290	F	94.8	Very high	92.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-64.7	-36.3	173.5	-80.9	-61.5	0	0	0	112.7	L262 T266 I286 F287 V288 L292 L293 L294 Y315 N318 M319 L322	L262-F290 HydrophobicContact CB-CE1 4.12Å; L262-F290 HydrophobicContact CB-CE2 4.07Å; L262-F290 HydrophobicContact CB-CZ 3.64Å; L262-F290 HydrophobicContact CD1-CD1 4.39Å; L262-F290 HydrophobicContact CD1-CE1 4.31Å; L262-F290 HydrophobicContact CD1-CZ 4.48Å; T266-F290 HydrophobicContact CG2-CE2 4.17Å; I286-F290 HydrophobicContact CG2-CD2 3.59Å; I286-F290 HydrophobicContact CG2-CE2 3.47Å; I286-F290 VanDerWaalsContact CG2-CE2 3.47Å; I286-F290 WeakPolarHBondContact O-CD2 3.38Å; I286-F290 PolarHBondContact O-N 3.36Å; F287-F290 PolarHBondContact O-N 3.42Å; V288-F290 PolarHBondContact O-N 2.89Å; F290-L292 VanDerWaalsContact C-N 3.33Å; F290-L292 PolarHBondContact O-N 2.81Å; F290-L293 HydrophobicContact CD1-CD1 4.45Å; F290-L293 PolarHBondContact O-N 2.98Å; F290-L294 WeakPolarHBondContact O-CB 3.24Å; F290-L294 PolarHBondContact O-N 3.25Å; F290-Y315 HydrophobicContact CD1-CD1 4.06Å; F290-Y315 HydrophobicContact CE1-CD1 4.35Å; F290-N318 HydrophobicContact CD2-CB 4.3Å; F290-N318 HydrophobicContact CE1-CB 4.26Å; F290-N318 HydrophobicContact CE2-CB 4.02Å; F290-N318 HydrophobicContact CZ-CB 4Å; F290-M319 HydrophobicContact CB-CE 4.31Å; F290-M319 HydrophobicContact CB-CG 3.72Å; F290-M319 HydrophobicContact CB-SD 4.11Å; F290-L322 HydrophobicContact CD2-CD1 3.81Å; F290-L322 HydrophobicContact CE2-CD1 3.91Å
291	S	94.9	Very high	92	Very high	44 Å²	44	57.6 Å²	57.6	31%	0.308	32%	0.317	S	S	.	.	H	α-helix	trans	-64.1	-38.9	175.1	-59.7	0	0	0	0	111.8	F287 V288 A289 K295	F287-S291 WeakPolarHBondContact O-CB 3.42Å; F287-S291 PolarHBondContact O-N 3.22Å; F287-S291 PolarHBondContact O-OG 3.28Å; V288-S291 WeakPolarHBondContact O-CB 3.41Å; V288-S291 PolarHBondContact O-N 2.92Å; V288-S291 VanDerWaalsContact O-N 3.17Å; A289-S291 VanDerWaalsContact C-N 3.34Å; A289-S291 PolarHBondContact O-N 2.95Å; S291-K295 WeakPolarHBondContact O-CB 3.46Å; S291-K295 PolarHBondContact O-N 2.95Å
292	L	95.5	Very high	91.7	Very high	102 Å²	102	53.2 Å²	53.2	53%	0.534	30%	0.295	S	S	.	.	H	α-helix	trans	-66.4	-44.1	174.2	-70.3	172.4	0	0	0	111.6	V288 A289 F290 L294 K295 I296	V288-L292 HydrophobicContact CG1-CD1 4.24Å; V288-L292 HydrophobicContact CG1-CG 4.45Å; V288-L292 WeakPolarHBondContact O-CG 3.29Å; V288-L292 PolarHBondContact O-N 3.29Å; A289-L292 PolarHBondContact O-N 2.95Å; F290-L292 VanDerWaalsContact C-N 3.33Å; F290-L292 PolarHBondContact O-N 2.81Å; L292-L294 PolarHBondContact O-N 2.87Å; L292-K295 WeakPolarHBondContact O-CB 3.43Å; L292-K295 PolarHBondContact O-N 2.96Å; L292-K295 VanDerWaalsContact O-N 3.16Å; L292-I296 WeakPolarHBondContact O-CG1 3.46Å; L292-I296 PolarHBondContact O-N 3.29Å
293	L	94.5	Very high	90.6	Very high	15 Å²	15	55.3 Å²	55.3	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-61.8	-41.6	175.3	-71.4	177.1	0	0	0	112.2	P258 C259 L262 A289 F290 K295 I296 L297 Y315	P258-L293 HydrophobicContact CB-CD1 4.45Å; P258-L293 HydrophobicContact CB-CD2 4.39Å; C259-L293 HydrophobicContact CB-CD1 4.38Å; L262-L293 HydrophobicContact CD1-CD1 3.63Å; A289-L293 PolarHBondContact O-N 3.43Å; F290-L293 HydrophobicContact CD1-CD1 4.45Å; F290-L293 PolarHBondContact O-N 2.98Å; L293-K295 VanDerWaalsContact C-N 3.3Å; L293-K295 PolarHBondContact O-N 3.23Å; L293-I296 PolarHBondContact O-N 2.99Å; L293-L297 WeakPolarHBondContact O-CB 3.45Å; L293-L297 PolarHBondContact O-N 3.29Å; L293-Y315 HydrophobicContact CB-CD2 4.44Å; L293-Y315 HydrophobicContact CB-CE2 3.95Å
294	L	93.4	Very high	89.3	Confident	53 Å²	53	58.7 Å²	58.7	28%	0.277	34%	0.343	S	S	.	.	H	α-helix	trans	-63	-37.7	174.3	-178.6	63.5	0	0	0	111.6	F290 L292 L297 A298 Y315 M319	F290-L294 WeakPolarHBondContact O-CB 3.24Å; F290-L294 PolarHBondContact O-N 3.25Å; L292-L294 PolarHBondContact O-N 2.87Å; L294-L297 HydrophobicContact CD1-CD2 4.48Å; L294-L297 PolarHBondContact O-N 2.9Å; L294-A298 WeakPolarHBondContact O-CB 3.36Å; L294-A298 PolarHBondContact O-N 3.48Å; L294-Y315 HydrophobicContact CB-CD2 4.06Å; L294-Y315 HydrophobicContact CD1-CD2 4.15Å; L294-M319 HydrophobicContact CB-CE 4.1Å; L294-M319 HydrophobicContact CD2-CE 3.69Å; L294-M319 HydrophobicContact CG-CE 4.48Å
295	K	93.6	Very high	88.2	Confident	145 Å²	145	54.8 Å²	54.8	63%	0.63	33%	0.328	S	S	*	.	H	α-helix	trans	-65	-43.5	174.9	-174.6	178.5	-179.4	-179.7	0	112	S291 L292 L293 L297 A298 V299	S291-K295 WeakPolarHBondContact O-CB 3.46Å; S291-K295 PolarHBondContact O-N 2.95Å; L292-K295 WeakPolarHBondContact O-CB 3.43Å; L292-K295 PolarHBondContact O-N 2.96Å; L292-K295 VanDerWaalsContact O-N 3.16Å; L293-K295 VanDerWaalsContact C-N 3.3Å; L293-K295 PolarHBondContact O-N 3.23Å; K295-L297 VanDerWaalsContact C-N 3.32Å; K295-A298 PolarHBondContact O-N 2.9Å; K295-V299 WeakPolarHBondContact O-CG2 3.4Å; K295-V299 PolarHBondContact O-N 3.16Å; K295-V299 VanDerWaalsContact O-N 3.13Å
296	I	92.8	Very high	87.1	Confident	72 Å²	72	57.2 Å²	57.2	37%	0.369	35%	0.346	S	S	.	.	H	α-helix	trans	-60.9	-46.2	176	-64.2	166.8	0	0	0	109.5	L255 L292 L293 A298 V299 S300	L255-I296 HydrophobicContact CD2-CB 4.28Å; L255-I296 HydrophobicContact CD2-CG2 3.73Å; L292-I296 WeakPolarHBondContact O-CG1 3.46Å; L292-I296 PolarHBondContact O-N 3.29Å; L293-I296 PolarHBondContact O-N 2.99Å; I296-A298 VanDerWaalsContact C-N 3.35Å; I296-A298 PolarHBondContact O-N 2.96Å; I296-V299 PolarHBondContact O-N 3.3Å; I296-S300 PolarHBondContact O-N 3.5Å; I296-S300 PolarHBondContact O-OG 2.95Å
297	L	91.2	Very high	86.6	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-57.9	-45.4	176.1	-179.4	62.3	0	0	0	112	F171 L255 L293 L294 K295 V299 S300 T301 P309 L311 Y315	F171-L297 HydrophobicContact CD1-CD1 3.86Å; F171-L297 HydrophobicContact CE1-CD1 3.86Å; L255-L297 HydrophobicContact CD1-CD1 4.32Å; L293-L297 WeakPolarHBondContact O-CB 3.45Å; L293-L297 PolarHBondContact O-N 3.29Å; L294-L297 HydrophobicContact CD1-CD2 4.48Å; L294-L297 PolarHBondContact O-N 2.9Å; K295-L297 VanDerWaalsContact C-N 3.32Å; L297-V299 VanDerWaalsContact C-N 3.26Å; L297-V299 PolarHBondContact O-N 3.3Å; L297-S300 PolarHBondContact O-N 3.45Å; L297-S300 VanDerWaalsContact O-N 3.15Å; L297-T301 HydrophobicContact CD1-CG2 4.03Å; L297-T301 PolarHBondContact O-N 3.17Å; L297-T301 VanDerWaalsContact O-N 3.08Å; L297-T301 PolarHBondContact O-OG1 3.48Å; L297-T301 VanDerWaalsContact O-OG1 3.08Å; L297-P309 HydrophobicContact CD1-CG 4.22Å; L297-P309 HydrophobicContact CD2-CG 3.92Å; L297-P309 HydrophobicContact CG-CG 4.24Å; L297-L311 HydrophobicContact CD1-CD2 4.34Å; L297-L311 HydrophobicContact CD2-CB 4.3Å; L297-L311 HydrophobicContact CD2-CD2 4.45Å; L297-L311 HydrophobicContact CD2-CG 4.33Å; L297-Y315 HydrophobicContact CB-CE2 4.28Å; L297-Y315 HydrophobicContact CD2-CD2 4.07Å; L297-Y315 HydrophobicContact CD2-CE2 3.88Å
298	A	89.6	Confident	86.2	Confident	54 Å²	54	59.3 Å²	59.3	45%	0.446	36%	0.363	S	S	.	.	H	α-helix	trans	-64.1	-28.5	-179.9	0	0	0	0	0	113.6	L294 K295 I296	L294-A298 WeakPolarHBondContact O-CB 3.36Å; L294-A298 PolarHBondContact O-N 3.48Å; K295-A298 PolarHBondContact O-N 2.9Å; I296-A298 VanDerWaalsContact C-N 3.35Å; I296-A298 PolarHBondContact O-N 2.96Å
299	V	87.7	Confident	85.9	Confident	110 Å²	110	56.1 Å²	56.1	67%	0.667	34%	0.343	S	S	*	.	H	α-helix	trans	-77.7	-31.8	175.6	173.7	0	0	0	0	111.5	K295 I296 L297	K295-V299 WeakPolarHBondContact O-CG2 3.4Å; K295-V299 PolarHBondContact O-N 3.16Å; K295-V299 VanDerWaalsContact O-N 3.13Å; I296-V299 PolarHBondContact O-N 3.3Å; L297-V299 VanDerWaalsContact C-N 3.26Å; L297-V299 PolarHBondContact O-N 3.3Å
300	S	84	Confident	85.6	Confident	36 Å²	36	58.9 Å²	58.9	25%	0.252	35%	0.349	S	S	.	.	H	α-helix	trans	-81.5	-17.1	178.4	-61.5	0	0	0	0	114.1	I296 L297	I296-S300 PolarHBondContact O-N 3.5Å; I296-S300 PolarHBondContact O-OG 2.95Å; L297-S300 PolarHBondContact O-N 3.45Å; L297-S300 VanDerWaalsContact O-N 3.15Å
301	T	84.8	Confident	85.4	Confident	13 Å²	13	59.3 Å²	59.3	8%	0.08	35%	0.351	C	S	.	.	S	Bend	trans	-106.5	150.8	179.8	56.9	0	0	0	0	112.2	I168 L297 S303 P309	I168-T301 HydrophobicContact CD1-CG2 4.02Å; L297-T301 HydrophobicContact CD1-CG2 4.03Å; L297-T301 PolarHBondContact O-N 3.17Å; L297-T301 VanDerWaalsContact O-N 3.08Å; L297-T301 PolarHBondContact O-OG1 3.48Å; L297-T301 VanDerWaalsContact O-OG1 3.08Å; T301-S303 PolarHBondContact O-N 3.35Å; T301-P309 HydrophobicContact CG2-CG 4.37Å
302	P	82.8	Confident	85.3	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.019	34%	0.336	C	S	.	.			trans	-55.6	131.4	172.4	15.7	-25.4	0	0	0	112.5	E81 I168 A304 S305	E81-P302 WeakPolarHBondContact O-CB 3.43Å; E81-P302 VanDerWaalsContact O-CG 3.26Å; E81-P302 WeakPolarHBondContact O-CG 3.29Å; I168-P302 HydrophobicContact CD1-CG 4.31Å; I168-P302 HydrophobicContact CG2-CG 4.11Å; P302-A304 PolarHBondContact O-N 3.16Å; P302-S305 PolarHBondContact O-OG 2.93Å
303	S	69.3	Low	85	Confident	107 Å²	107	58.8 Å²	58.8	75%	0.748	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.4	173.7	-45.2	0	0	0	0	112.5	T301	T301-S303 PolarHBondContact O-N 3.35Å
304	A	62.2	Low	84.9	Confident	81 Å²	81	58.7 Å²	58.7	67%	0.669	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	6.5	-174.2	0	0	0	0	0	114.4	P302	P302-A304 PolarHBondContact O-N 3.16Å
305	S	66.9	Low	84.9	Confident	37 Å²	37	56.2 Å²	56.2	26%	0.259	32%	0.322	S	S	.	.			trans	-75.2	132.9	178	62.9	0	0	0	0	110.9	I168 P302 I307	I168-S305 VanDerWaalsContact CD1-OG 3.24Å; I168-S305 WeakPolarHBondContact CD1-OG 3.49Å; P302-S305 PolarHBondContact O-OG 2.93Å; S305-I307 WeakPolarHBondContact CB-O 3.19Å; S305-I307 PolarHBondContact O-N 2.98Å; S305-I307 VanDerWaalsContact O-N 3.13Å; S305-I307 PolarHBondContact OG-O 2.71Å
306	T	72.6	Confident	84.9	Confident	142 Å²	142	52 Å²	52	87%	0.871	31%	0.31	S	S	*	.	S	Bend	trans	-65.9	-9	169.7	50.7	0	0	0	0	112.6
307	I	81.7	Confident	84.8	Confident	59 Å²	59	51.4 Å²	51.4	30%	0.303	31%	0.307	S	S	.	.	S	Bend	trans	-128.6	132.4	-170.5	-60.6	146	0	0	0	109.1	K169 S305	K169-I307 HydrophobicContact CD-CG2 4.41Å; K169-I307 HydrophobicContact CG-CG2 3.48Å; K169-I307 VanDerWaalsContact CG-CG2 3.48Å; S305-I307 WeakPolarHBondContact CB-O 3.19Å; S305-I307 PolarHBondContact O-N 2.98Å; S305-I307 VanDerWaalsContact O-N 3.13Å; S305-I307 PolarHBondContact OG-O 2.71Å
308	V	85	Confident	84.8	Confident	69 Å²	69	51.2 Å²	51.2	42%	0.418	31%	0.306	S	S	.	.			trans	-93.3	139.9	174.4	179.8	0	0	0	0	108.7	Y313	V308-Y313 HydrophobicContact CB-CD2 4.49Å; V308-Y313 HydrophobicContact CB-CE2 3.92Å; V308-Y313 HydrophobicContact CG1-CE2 4.41Å; V308-Y313 WeakPolarHBondContact O-CE2 3.47Å
309	P	90	Very high	85	Confident	5 Å²	5	49.5 Å²	49.5	3%	0.032	29%	0.289	C	S	.	.			trans	-60.3	148.3	175.5	26.1	-37	0	0	0	111.5	I168 F171 L297 T301 L311 G312 Y313	I168-P309 WeakPolarHBondContact O-CB 3.34Å; F171-P309 HydrophobicContact CB-CB 4.19Å; L297-P309 HydrophobicContact CD1-CG 4.22Å; L297-P309 HydrophobicContact CD2-CG 3.92Å; L297-P309 HydrophobicContact CG-CG 4.24Å; T301-P309 HydrophobicContact CG2-CG 4.37Å; P309-L311 PolarHBondContact O-N 3.42Å; P309-L311 VanDerWaalsContact O-N 3.13Å; P309-G312 WeakPolarHBondContact O-CA 3.46Å; P309-G312 PolarHBondContact O-N 3.26Å; P309-Y313 PolarHBondContact O-N 3.32Å
310	Y	89.8	Confident	85.2	Confident	86 Å²	86	48.7 Å²	48.7	34%	0.337	29%	0.285	S	S	.	.	H	α-helix	trans	-55.9	-33.2	176.7	-68.6	-59.6	0	0	0	112.8	K169 N170 G312 Y313 F314 Y585 L586	K169-Y310 HydrophobicContact CB-CE2 4.25Å; K169-Y310 WeakPolarHBondContact O-CD2 3.38Å; K169-Y310 PolarHBondContact O-N 3.43Å; N170-Y310 WeakPolarHBondContact OD1-CE2 3.11Å; Y310-G312 VanDerWaalsContact C-N 3.28Å; Y310-G312 PolarHBondContact O-N 3.45Å; Y310-Y313 HydrophobicContact CD1-CD2 4.45Å; Y310-Y313 WeakPolarHBondContact O-CB 3.3Å; Y310-Y313 PolarHBondContact O-N 2.76Å; Y310-F314 PolarHBondContact O-N 3.42Å; Y310-Y585 AromaticContact CD1-CE1 3.98Å; Y310-Y585 HydrophobicContact CD1-CE1 3.98Å; Y310-Y585 HydrophobicContact CD2-CE1 4.47Å; Y310-Y585 HydrophobicContact CE1-CE1 4.01Å; Y310-Y585 HydrophobicContact CE2-CE1 4.49Å; Y310-Y585 HydrophobicContact CG-CE1 4.23Å; Y310-L586 VanDerWaalsContact C-CD2 3.43Å; Y310-L586 VanDerWaalsContact CB-CD2 3.48Å
311	L	91.1	Very high	85.5	Confident	8 Å²	8	48.1 Å²	48.1	4%	0.042	28%	0.279	C	S	.	.	H	α-helix	trans	-59.5	-37.5	174.5	-170.2	63.5	0	0	0	112.5	L255 L297 P309 F314 Y315	L255-L311 HydrophobicContact CB-CD2 4.13Å; L297-L311 HydrophobicContact CD1-CD2 4.34Å; L297-L311 HydrophobicContact CD2-CB 4.3Å; L297-L311 HydrophobicContact CD2-CD2 4.45Å; L297-L311 HydrophobicContact CD2-CG 4.33Å; P309-L311 PolarHBondContact O-N 3.42Å; P309-L311 VanDerWaalsContact O-N 3.13Å; L311-F314 WeakPolarHBondContact O-CB 3.47Å; L311-F314 PolarHBondContact O-N 3.04Å; L311-Y315 HydrophobicContact CD1-CE1 3.98Å; L311-Y315 HydrophobicContact CD2-CE2 4.48Å; L311-Y315 HydrophobicContact CG-CE1 4.18Å; L311-Y315 HydrophobicContact CG-CE2 4.1Å; L311-Y315 PolarHBondContact O-N 3.44Å; L311-Y315 VanDerWaalsContact O-N 3.12Å
312	G	91.8	Very high	85.8	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-66.9	-42.8	175.8	0	0	0	0	0	112.3	P309 Y310 F314 Y315 C316	P309-G312 WeakPolarHBondContact O-CA 3.46Å; P309-G312 PolarHBondContact O-N 3.26Å; Y310-G312 VanDerWaalsContact C-N 3.28Å; Y310-G312 PolarHBondContact O-N 3.45Å; G312-F314 VanDerWaalsContact C-N 3.25Å; G312-F314 PolarHBondContact O-N 2.92Å; G312-Y315 PolarHBondContact O-N 3.49Å; G312-C316 PolarHBondContact O-N 3.12Å; G312-C316 PolarHBondContact O-SG 3.13Å
313	Y	90.9	Very high	86.2	Confident	135 Å²	135	49.9 Å²	49.9	53%	0.529	29%	0.292	S	S	.	.	H	α-helix	trans	-58.5	-39.2	172.9	-74.2	-69.2	0	0	0	112	V308 P309 Y310 C316 L317	V308-Y313 HydrophobicContact CB-CD2 4.49Å; V308-Y313 HydrophobicContact CB-CE2 3.92Å; V308-Y313 HydrophobicContact CG1-CE2 4.41Å; V308-Y313 WeakPolarHBondContact O-CE2 3.47Å; P309-Y313 PolarHBondContact O-N 3.32Å; Y310-Y313 HydrophobicContact CD1-CD2 4.45Å; Y310-Y313 WeakPolarHBondContact O-CB 3.3Å; Y310-Y313 PolarHBondContact O-N 2.76Å; Y313-C316 PolarHBondContact O-N 3.31Å; Y313-L317 VanDerWaalsContact O-CB 3.27Å; Y313-L317 WeakPolarHBondContact O-CB 3.36Å; Y313-L317 PolarHBondContact O-N 2.76Å
314	F	92.1	Very high	87.1	Confident	13 Å²	13	49.1 Å²	49.1	6%	0.057	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-43.9	176.4	-176.1	-97.2	0	0	0	112.9	C259 Y310 L311 G312 L317 N318 V579 A582 L586	C259-F314 WeakPolarHBondContact SG-CE1 3.41Å; Y310-F314 PolarHBondContact O-N 3.42Å; L311-F314 WeakPolarHBondContact O-CB 3.47Å; L311-F314 PolarHBondContact O-N 3.04Å; G312-F314 VanDerWaalsContact C-N 3.25Å; G312-F314 PolarHBondContact O-N 2.92Å; F314-L317 PolarHBondContact O-N 3.29Å; F314-N318 VanDerWaalsContact CD1-ND2 3.33Å; F314-N318 WeakPolarHBondContact CD1-ND2 3.26Å; F314-N318 WeakPolarHBondContact CE1-ND2 3.17Å; F314-N318 WeakPolarHBondContact CZ-ND2 3.43Å; F314-N318 PolarHBondContact O-N 3.38Å; F314-N318 PolarHBondContact O-ND2 3.23Å; F314-V579 HydrophobicContact CE2-CG1 4.24Å; F314-V579 HydrophobicContact CZ-CG1 3.96Å; F314-A582 HydrophobicContact CD2-CB 3.72Å; F314-A582 HydrophobicContact CE2-CB 3.9Å; F314-L586 HydrophobicContact CB-CD1 3.51Å; F314-L586 HydrophobicContact CD1-CD1 4.06Å; F314-L586 HydrophobicContact CD2-CD1 3.49Å; F314-L586 VanDerWaalsContact CD2-CD1 3.49Å; F314-L586 HydrophobicContact CE2-CD1 4.17Å; F314-L586 HydrophobicContact CG-CD1 3.4Å; F314-L586 VanDerWaalsContact CG-CD1 3.4Å
315	Y	93.3	Very high	88.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-46.7	175.3	-62.9	-20.4	0	0	0	111.7	L255 C259 F290 L293 L294 L297 L311 G312 L317 N318 M319	L255-Y315 PolarHBondContact O-OH 2.83Å; C259-Y315 HydrophobicContact CB-CE1 3.78Å; C259-Y315 VanDerWaalsContact SG-CE1 3.59Å; F290-Y315 HydrophobicContact CD1-CD1 4.06Å; F290-Y315 HydrophobicContact CE1-CD1 4.35Å; L293-Y315 HydrophobicContact CB-CD2 4.44Å; L293-Y315 HydrophobicContact CB-CE2 3.95Å; L294-Y315 HydrophobicContact CB-CD2 4.06Å; L294-Y315 HydrophobicContact CD1-CD2 4.15Å; L297-Y315 HydrophobicContact CB-CE2 4.28Å; L297-Y315 HydrophobicContact CD2-CD2 4.07Å; L297-Y315 HydrophobicContact CD2-CE2 3.88Å; L311-Y315 HydrophobicContact CD1-CE1 3.98Å; L311-Y315 HydrophobicContact CD2-CE2 4.48Å; L311-Y315 HydrophobicContact CG-CE1 4.18Å; L311-Y315 HydrophobicContact CG-CE2 4.1Å; L311-Y315 PolarHBondContact O-N 3.44Å; L311-Y315 VanDerWaalsContact O-N 3.12Å; G312-Y315 PolarHBondContact O-N 3.49Å; Y315-L317 VanDerWaalsContact C-N 3.34Å; Y315-L317 PolarHBondContact O-N 3.4Å; Y315-N318 PolarHBondContact O-N 3.25Å; Y315-M319 WeakPolarHBondContact O-CE 3.48Å; Y315-M319 WeakPolarHBondContact O-CG 3.46Å; Y315-M319 PolarHBondContact O-N 3.38Å
316	C	93	Very high	89.1	Confident	57 Å²	57	45.6 Å²	45.6	39%	0.385	25%	0.247	S	C	.	.	H	α-helix	trans	-61.3	-41.5	177.3	-68.8	0	0	0	0	112.4	G312 Y313 M319 T320	G312-C316 PolarHBondContact O-N 3.12Å; G312-C316 PolarHBondContact O-SG 3.13Å; Y313-C316 PolarHBondContact O-N 3.31Å; C316-M319 PolarHBondContact O-N 3.35Å; C316-T320 WeakPolarHBondContact O-CB 3.34Å; C316-T320 PolarHBondContact O-N 2.81Å; C316-T320 PolarHBondContact O-OG1 3.36Å
317	L	92.1	Very high	89.8	Confident	59 Å²	59	44.9 Å²	44.9	31%	0.309	23%	0.232	S	C	.	.	H	α-helix	trans	-62.3	-45.8	175.9	-179.6	149.8	0	0	0	111.1	Y313 F314 Y315 M319 T320 L321 V578	Y313-L317 VanDerWaalsContact O-CB 3.27Å; Y313-L317 WeakPolarHBondContact O-CB 3.36Å; Y313-L317 PolarHBondContact O-N 2.76Å; F314-L317 PolarHBondContact O-N 3.29Å; Y315-L317 VanDerWaalsContact C-N 3.34Å; Y315-L317 PolarHBondContact O-N 3.4Å; L317-M319 PolarHBondContact O-N 2.89Å; L317-T320 PolarHBondContact O-N 3.09Å; L317-L321 HydrophobicContact CD2-CD1 3.53Å; L317-L321 HydrophobicContact CD2-CG 4.28Å; L317-L321 HydrophobicContact CG-CD1 4.32Å; L317-L321 WeakPolarHBondContact O-CG 3.4Å; L317-L321 PolarHBondContact O-N 3.41Å; L317-V578 HydrophobicContact CD1-CG1 3.88Å; L317-V578 HydrophobicContact CD2-CG1 3.72Å; L317-V578 HydrophobicContact CG-CG1 4.3Å
318	N	91	Very high	89.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-46.4	177.1	-84.4	-86.4	0	0	0	111.6	F290 F314 Y315 T320 L321 L322 Y575	F290-N318 HydrophobicContact CD2-CB 4.3Å; F290-N318 HydrophobicContact CE1-CB 4.26Å; F290-N318 HydrophobicContact CE2-CB 4.02Å; F290-N318 HydrophobicContact CZ-CB 4Å; F314-N318 VanDerWaalsContact CD1-ND2 3.33Å; F314-N318 WeakPolarHBondContact CD1-ND2 3.26Å; F314-N318 WeakPolarHBondContact CE1-ND2 3.17Å; F314-N318 WeakPolarHBondContact CZ-ND2 3.43Å; F314-N318 PolarHBondContact O-N 3.38Å; F314-N318 PolarHBondContact O-ND2 3.23Å; Y315-N318 PolarHBondContact O-N 3.25Å; N318-T320 VanDerWaalsContact C-N 3.33Å; N318-T320 PolarHBondContact O-N 3.23Å; N318-L321 PolarHBondContact O-N 3.05Å; N318-L322 WeakPolarHBondContact O-CB 3.49Å; N318-L322 VanDerWaalsContact O-CG 3.22Å; N318-L322 WeakPolarHBondContact O-CG 3.02Å; N318-L322 PolarHBondContact O-N 3.18Å; N318-Y575 PolarHBondContact OD1-OH 2.78Å
319	M	93	Very high	89.7	Confident	18 Å²	18	40 Å²	40	9%	0.089	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-39.6	176.8	-76.2	-176.1	-90.6	0	0	112.6	F287 F290 L294 Y315 C316 L317 S323	F287-M319 HydrophobicContact CD2-CB 4.09Å; F287-M319 HydrophobicContact CD2-CG 4.05Å; F287-M319 HydrophobicContact CE2-CB 3.78Å; F287-M319 HydrophobicContact CE2-CG 4Å; F287-M319 HydrophobicContact CE2-SD 4.36Å; F287-M319 HydrophobicContact CZ-SD 4.43Å; F290-M319 HydrophobicContact CB-CE 4.31Å; F290-M319 HydrophobicContact CB-CG 3.72Å; F290-M319 HydrophobicContact CB-SD 4.11Å; L294-M319 HydrophobicContact CB-CE 4.1Å; L294-M319 HydrophobicContact CD2-CE 3.69Å; L294-M319 HydrophobicContact CG-CE 4.48Å; Y315-M319 WeakPolarHBondContact O-CE 3.48Å; Y315-M319 WeakPolarHBondContact O-CG 3.46Å; Y315-M319 PolarHBondContact O-N 3.38Å; C316-M319 PolarHBondContact O-N 3.35Å; L317-M319 PolarHBondContact O-N 2.89Å; M319-S323 WeakPolarHBondContact O-CB 3.36Å; M319-S323 PolarHBondContact O-N 2.78Å; M319-S323 PolarHBondContact O-OG 2.89Å
320	T	92.3	Very high	89.4	Confident	93 Å²	93	42.1 Å²	42.1	57%	0.571	22%	0.221	S	C	*	.	H	α-helix	trans	-65.9	-46.7	177.1	-56.3	0	0	0	0	111.4	C316 L317 N318 S323 L324	C316-T320 WeakPolarHBondContact O-CB 3.34Å; C316-T320 PolarHBondContact O-N 2.81Å; C316-T320 PolarHBondContact O-OG1 3.36Å; L317-T320 PolarHBondContact O-N 3.09Å; N318-T320 VanDerWaalsContact C-N 3.33Å; N318-T320 PolarHBondContact O-N 3.23Å; T320-S323 PolarHBondContact O-N 3.41Å; T320-L324 PolarHBondContact O-N 3.13Å
321	L	90.4	Very high	89	Confident	24 Å²	24	41.6 Å²	41.6	13%	0.126	22%	0.223	C	C	.	.	H	α-helix	trans	-64.8	-40	177.6	-68.8	177.5	0	0	0	112.3	L317 N318 L324 S325 F574 Y575 V578	L317-L321 HydrophobicContact CD2-CD1 3.53Å; L317-L321 HydrophobicContact CD2-CG 4.28Å; L317-L321 HydrophobicContact CG-CD1 4.32Å; L317-L321 WeakPolarHBondContact O-CG 3.4Å; L317-L321 PolarHBondContact O-N 3.41Å; N318-L321 PolarHBondContact O-N 3.05Å; L321-L324 PolarHBondContact O-N 2.99Å; L321-S325 WeakPolarHBondContact O-CB 3.47Å; L321-S325 PolarHBondContact O-N 3.45Å; L321-F574 HydrophobicContact CD2-CD1 4.21Å; L321-F574 HydrophobicContact CD2-CE1 3.58Å; L321-Y575 HydrophobicContact CB-CD2 3.79Å; L321-Y575 HydrophobicContact CB-CE2 4.07Å; L321-Y575 HydrophobicContact CD1-CD2 3.69Å; L321-Y575 HydrophobicContact CD1-CE2 4.1Å; L321-Y575 HydrophobicContact CG-CD2 4.37Å; L321-V578 HydrophobicContact CD1-CB 4.31Å; L321-V578 HydrophobicContact CD1-CG1 4.08Å
322	L	91.1	Very high	88.3	Confident	4 Å²	4	42 Å²	42	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-41.9	174.5	-73.7	170.3	0	0	0	111.6	T266 I286 F290 N318 S325 T326	T266-L322 HydrophobicContact CG2-CD1 3.99Å; T266-L322 HydrophobicContact CG2-CD2 3.66Å; T266-L322 HydrophobicContact CG2-CG 4.29Å; I286-L322 HydrophobicContact CG2-CD1 3.84Å; F290-L322 HydrophobicContact CD2-CD1 3.81Å; F290-L322 HydrophobicContact CE2-CD1 3.91Å; N318-L322 WeakPolarHBondContact O-CB 3.49Å; N318-L322 VanDerWaalsContact O-CG 3.22Å; N318-L322 WeakPolarHBondContact O-CG 3.02Å; N318-L322 PolarHBondContact O-N 3.18Å; L322-S325 PolarHBondContact O-N 3.21Å; L322-T326 WeakPolarHBondContact O-CB 3.18Å; L322-T326 VanDerWaalsContact O-CG2 3.27Å; L322-T326 WeakPolarHBondContact O-CG2 3.45Å; L322-T326 PolarHBondContact O-N 3.08Å; L322-T326 PolarHBondContact O-OG1 3.08Å
323	S	91.2	Very high	87.7	Confident	50 Å²	50	43.3 Å²	43.3	35%	0.35	23%	0.234	S	C	.	.	H	α-helix	trans	-63.6	-42.6	177	-58.2	0	0	0	0	111.5	F287 M319 T320 T326 F327	F287-S323 WeakPolarHBondContact CE2-OG 3.41Å; M319-S323 WeakPolarHBondContact O-CB 3.36Å; M319-S323 PolarHBondContact O-N 2.78Å; M319-S323 PolarHBondContact O-OG 2.89Å; T320-S323 PolarHBondContact O-N 3.41Å; S323-T326 WeakPolarHBondContact CA-OG1 3.21Å; S323-T326 PolarHBondContact O-OG1 3.42Å; S323-F327 VanDerWaalsContact O-CB 3.24Å; S323-F327 WeakPolarHBondContact O-CB 3.16Å; S323-F327 PolarHBondContact O-N 3.31Å
324	L	88.6	Confident	87.3	Confident	90 Å²	90	41.9 Å²	41.9	47%	0.471	23%	0.232	S	C	.	.	H	α-helix	trans	-65.9	-41.5	176.7	-174.9	61.1	0	0	0	112.2	T320 L321 A328 F571	T320-L324 PolarHBondContact O-N 3.13Å; L321-L324 PolarHBondContact O-N 2.99Å; L324-A328 WeakPolarHBondContact O-CB 3.22Å; L324-A328 PolarHBondContact O-N 2.75Å; L324-F571 HydrophobicContact CD2-CE1 4.3Å; L324-F571 HydrophobicContact CG-CE1 4.28Å
325	S	85.3	Confident	86.5	Confident	4 Å²	4	44 Å²	44	3%	0.028	24%	0.243	C	C	.	.	H	α-helix	trans	-65.1	-43.7	177.5	171.8	0	0	0	0	112.8	F270 L321 L322 A328 S329	F270-S325 WeakPolarHBondContact CE1-OG 3.27Å; L321-S325 WeakPolarHBondContact O-CB 3.47Å; L321-S325 PolarHBondContact O-N 3.45Å; L322-S325 PolarHBondContact O-N 3.21Å; S325-A328 PolarHBondContact O-N 3.39Å; S325-S329 WeakPolarHBondContact O-CB 3.29Å; S325-S329 PolarHBondContact O-N 2.89Å; S325-S329 PolarHBondContact O-OG 3.38Å
326	T	85.2	Confident	85.4	Confident	40 Å²	40	46.4 Å²	46.4	25%	0.245	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-43.8	177.9	49.5	0	0	0	0	111.1	S283 L322 S323 A328 S329 T330	S283-T326 WeakPolarHBondContact OG-CG2 3.36Å; L322-T326 WeakPolarHBondContact O-CB 3.18Å; L322-T326 VanDerWaalsContact O-CG2 3.27Å; L322-T326 WeakPolarHBondContact O-CG2 3.45Å; L322-T326 PolarHBondContact O-N 3.08Å; L322-T326 PolarHBondContact O-OG1 3.08Å; S323-T326 WeakPolarHBondContact CA-OG1 3.21Å; S323-T326 PolarHBondContact O-OG1 3.42Å; T326-A328 PolarHBondContact O-N 3.45Å; T326-S329 WeakPolarHBondContact O-CB 3.38Å; T326-S329 PolarHBondContact O-N 3.41Å; T326-T330 WeakPolarHBondContact O-CG2 3.47Å; T326-T330 PolarHBondContact O-N 3.13Å
327	F	87.2	Confident	84.4	Confident	127 Å²	127	50.7 Å²	50.7	56%	0.557	27%	0.267	S	S	*	.	H	α-helix	trans	-58.7	-48.2	174	-175.3	-109.4	0	0	0	111.9	S323 S329 T330 I331	S323-F327 VanDerWaalsContact O-CB 3.24Å; S323-F327 WeakPolarHBondContact O-CB 3.16Å; S323-F327 PolarHBondContact O-N 3.31Å; F327-S329 VanDerWaalsContact C-N 3.32Å; F327-S329 PolarHBondContact O-N 2.89Å; F327-T330 PolarHBondContact O-N 3.17Å; F327-T330 PolarHBondContact O-OG1 2.82Å; F327-I331 HydrophobicContact CD1-CD1 3.82Å; F327-I331 HydrophobicContact CE1-CD1 3.41Å; F327-I331 VanDerWaalsContact CE1-CD1 3.41Å; F327-I331 HydrophobicContact CE1-CG1 4.41Å; F327-I331 HydrophobicContact CE2-CD1 4.5Å; F327-I331 HydrophobicContact CZ-CD1 3.79Å; F327-I331 HydrophobicContact CZ-CG1 4.44Å; F327-I331 PolarHBondContact O-N 3.48Å
328	A	82.6	Confident	83.3	Confident	18 Å²	18	53.7 Å²	53.7	15%	0.149	28%	0.279	C	S	.	.	H	α-helix	trans	-57.2	-45.5	174.2	0	0	0	0	0	111.6	L324 S325 T326 T330 I331 V332 F571	L324-A328 WeakPolarHBondContact O-CB 3.22Å; L324-A328 PolarHBondContact O-N 2.75Å; S325-A328 PolarHBondContact O-N 3.39Å; T326-A328 PolarHBondContact O-N 3.45Å; A328-T330 VanDerWaalsContact C-N 3.35Å; A328-T330 PolarHBondContact O-N 3.05Å; A328-I331 PolarHBondContact O-N 3.07Å; A328-V332 WeakPolarHBondContact O-CG2 3.43Å; A328-V332 PolarHBondContact O-N 3.15Å; A328-F571 HydrophobicContact CB-CE2 3.95Å; A328-F571 HydrophobicContact CB-CZ 4.09Å
329	S	80.8	Confident	81.7	Confident	7 Å²	7	56.4 Å²	56.4	5%	0.049	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-43.3	176.8	-60.5	0	0	0	0	112	K279 S325 T326 F327 I331 V332 V333	K279-S329 PolarHBondContact NZ-OG 3.39Å; S325-S329 WeakPolarHBondContact O-CB 3.29Å; S325-S329 PolarHBondContact O-N 2.89Å; S325-S329 PolarHBondContact O-OG 3.38Å; T326-S329 WeakPolarHBondContact O-CB 3.38Å; T326-S329 PolarHBondContact O-N 3.41Å; F327-S329 VanDerWaalsContact C-N 3.32Å; F327-S329 PolarHBondContact O-N 2.89Å; S329-I331 PolarHBondContact O-N 3.35Å; S329-V332 PolarHBondContact O-N 2.86Å; S329-V333 WeakPolarHBondContact O-CB 3.48Å; S329-V333 VanDerWaalsContact O-CG2 3.26Å; S329-V333 WeakPolarHBondContact O-CG2 3.23Å; S329-V333 PolarHBondContact O-N 2.81Å
330	T	84	Confident	80	Confident	51 Å²	51	61.9 Å²	61.9	31%	0.313	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-40.1	177.3	60.2	0	0	0	0	112.9	M280 T326 F327 A328 V333 H334	M280-T330 HydrophobicContact CE-CG2 3.46Å; M280-T330 VanDerWaalsContact CE-CG2 3.46Å; M280-T330 HydrophobicContact SD-CG2 4.31Å; T326-T330 WeakPolarHBondContact O-CG2 3.47Å; T326-T330 PolarHBondContact O-N 3.13Å; F327-T330 PolarHBondContact O-N 3.17Å; F327-T330 PolarHBondContact O-OG1 2.82Å; A328-T330 VanDerWaalsContact C-N 3.35Å; A328-T330 PolarHBondContact O-N 3.05Å; T330-V333 PolarHBondContact O-N 3.4Å; T330-H334 VanDerWaalsContact O-CB 3.28Å; T330-H334 WeakPolarHBondContact O-CB 3.32Å; T330-H334 PolarHBondContact O-N 3.46Å
331	I	83	Confident	78.4	Confident	75 Å²	75	66.5 Å²	66.5	39%	0.385	34%	0.335	S	S	.	.	H	α-helix	trans	-61.1	-47.3	175.6	-70.2	169.9	0	0	0	109.8	F327 A328 S329 V333 H334 L335	F327-I331 HydrophobicContact CD1-CD1 3.82Å; F327-I331 HydrophobicContact CE1-CD1 3.41Å; F327-I331 VanDerWaalsContact CE1-CD1 3.41Å; F327-I331 HydrophobicContact CE1-CG1 4.41Å; F327-I331 HydrophobicContact CE2-CD1 4.5Å; F327-I331 HydrophobicContact CZ-CD1 3.79Å; F327-I331 HydrophobicContact CZ-CG1 4.44Å; F327-I331 PolarHBondContact O-N 3.48Å; A328-I331 PolarHBondContact O-N 3.07Å; S329-I331 PolarHBondContact O-N 3.35Å; I331-V333 PolarHBondContact O-N 3.31Å; I331-H334 WeakPolarHBondContact O-CB 3.06Å; I331-H334 PolarHBondContact O-N 2.88Å; I331-L335 HydrophobicContact CG2-CD1 3.88Å; I331-L335 HydrophobicContact CG2-CG 4.32Å; I331-L335 VanDerWaalsContact O-CB 3.31Å; I331-L335 WeakPolarHBondContact O-CB 3.42Å; I331-L335 VanDerWaalsContact O-CG 3.22Å; I331-L335 WeakPolarHBondContact O-CG 3.25Å; I331-L335 PolarHBondContact O-N 2.74Å
332	V	75.3	Confident	76.6	Confident	15 Å²	15	69.6 Å²	69.6	9%	0.091	36%	0.359	C	S	.	.	H	α-helix	trans	-72.3	-32.4	-176.9	-158.5	0	0	0	0	112	A328 S329 L335 H336 L564 I567	A328-V332 WeakPolarHBondContact O-CG2 3.43Å; A328-V332 PolarHBondContact O-N 3.15Å; S329-V332 PolarHBondContact O-N 2.86Å; V332-L335 CarbonylContact O-C 3.58Å; V332-L335 PolarHBondContact O-N 2.99Å; V332-H336 WeakPolarHBondContact O-CB 3.44Å; V332-H336 PolarHBondContact O-N 2.93Å; V332-L564 HydrophobicContact CB-CD2 3.31Å; V332-L564 HydrophobicContact CB-CG 4.42Å; V332-L564 HydrophobicContact CG1-CD1 4.49Å; V332-L564 HydrophobicContact CG1-CD2 3.03Å; V332-L564 HydrophobicContact CG1-CG 3.63Å; V332-L564 HydrophobicContact CG2-CD2 4.2Å; V332-I567 HydrophobicContact CG2-CD1 4.22Å
333	V	78.5	Confident	75.2	Confident	30 Å²	30	77.5 Å²	77.5	18%	0.182	39%	0.393	C	S	.	.	H	α-helix	trans	-64.2	-43.8	170.6	170.5	0	0	0	0	111.2	P274 S329 T330 I331 L335 H336 F337	P274-V333 WeakPolarHBondContact O-CG2 3.45Å; S329-V333 WeakPolarHBondContact O-CB 3.48Å; S329-V333 VanDerWaalsContact O-CG2 3.26Å; S329-V333 WeakPolarHBondContact O-CG2 3.23Å; S329-V333 PolarHBondContact O-N 2.81Å; T330-V333 PolarHBondContact O-N 3.4Å; I331-V333 PolarHBondContact O-N 3.31Å; V333-L335 VanDerWaalsContact C-N 3.33Å; V333-L335 PolarHBondContact O-N 2.74Å; V333-H336 WeakPolarHBondContact O-CB 3.36Å; V333-H336 PolarHBondContact O-N 2.72Å; V333-H336 VanDerWaalsContact O-N 3.08Å; V333-F337 HydrophobicContact CG1-CD2 3.65Å; V333-F337 HydrophobicContact CG1-CE2 3.51Å; V333-F337 WeakPolarHBondContact O-CD2 3.31Å; V333-F337 PolarHBondContact O-N 3.33Å
334	H	82.5	Confident	73.9	Confident	105 Å²	105	81.1 Å²	81.1	49%	0.486	40%	0.404	S	S	.	.	H	α-helix	trans	-60.1	-44.8	175.1	-178.5	76.1	0	0	0	111.7	T330 I331 H336 F337 Q338	T330-H334 VanDerWaalsContact O-CB 3.28Å; T330-H334 WeakPolarHBondContact O-CB 3.32Å; T330-H334 PolarHBondContact O-N 3.46Å; I331-H334 WeakPolarHBondContact O-CB 3.06Å; I331-H334 PolarHBondContact O-N 2.88Å; H334-H336 VanDerWaalsContact C-N 3.25Å; H334-H336 PolarHBondContact O-N 3.47Å; H334-F337 PolarHBondContact O-N 2.82Å; H334-Q338 PolarHBondContact CE1-NE2 3.18Å; H334-Q338 PolarHBondContact NE2-NE2 2.76Å; H334-Q338 WeakPolarHBondContact O-CB 3.41Å; H334-Q338 WeakPolarHBondContact O-CG 3.41Å; H334-Q338 PolarHBondContact O-N 2.83Å
335	L	75	Confident	72.9	Confident	56 Å²	56	77 Å²	77	29%	0.293	38%	0.383	S	S	.	.	H	α-helix	trans	-65.6	-24.1	174.5	-75.7	179.7	0	0	0	113.5	I331 V332 V333 R339	I331-L335 HydrophobicContact CG2-CD1 3.88Å; I331-L335 HydrophobicContact CG2-CG 4.32Å; I331-L335 VanDerWaalsContact O-CB 3.31Å; I331-L335 WeakPolarHBondContact O-CB 3.42Å; I331-L335 VanDerWaalsContact O-CG 3.22Å; I331-L335 WeakPolarHBondContact O-CG 3.25Å; I331-L335 PolarHBondContact O-N 2.74Å; V332-L335 CarbonylContact O-C 3.58Å; V332-L335 PolarHBondContact O-N 2.99Å; V333-L335 VanDerWaalsContact C-N 3.33Å; V333-L335 PolarHBondContact O-N 2.74Å; L335-R339 WeakPolarHBondContact O-CD 3.43Å; L335-R339 VanDerWaalsContact O-CG 3.22Å; L335-R339 WeakPolarHBondContact O-CG 3.33Å; L335-R339 PolarHBondContact O-NH1 3.05Å
336	H	71.2	Confident	72.3	Confident	51 Å²	51	78.4 Å²	78.4	24%	0.236	39%	0.392	C	S	.	.	H	α-helix	trans	-75.3	-49.4	172.4	-179.8	-89.5	0	0	0	110.6	V332 V333 H334 R339 D557	V332-H336 WeakPolarHBondContact O-CB 3.44Å; V332-H336 PolarHBondContact O-N 2.93Å; V333-H336 WeakPolarHBondContact O-CB 3.36Å; V333-H336 PolarHBondContact O-N 2.72Å; V333-H336 VanDerWaalsContact O-N 3.08Å; H334-H336 VanDerWaalsContact C-N 3.25Å; H334-H336 PolarHBondContact O-N 3.47Å; H336-R339 PolarHBondContact O-N 2.83Å; H336-D557 IonicContact CD2-OD1 2.94Å; H336-D557 IonicContact CE1-OD1 3.68Å; H336-D557 IonicContact NE2-OD1 3.61Å; H336-D557 PolarHBondContact NE2-OD1 3.18Å
337	F	73	Confident	71.8	Confident	148 Å²	148	81.8 Å²	81.8	65%	0.649	41%	0.414	S	S	*	.	H	α-helix	trans	-68.1	-39.4	-179.6	-78.2	-64	0	0	0	114.2	V333 H334 R339	V333-F337 HydrophobicContact CG1-CD2 3.65Å; V333-F337 HydrophobicContact CG1-CE2 3.51Å; V333-F337 WeakPolarHBondContact O-CD2 3.31Å; V333-F337 PolarHBondContact O-N 3.33Å; H334-F337 PolarHBondContact O-N 2.82Å; F337-R339 PolarHBondContact O-N 2.82Å; F337-R339 VanDerWaalsContact O-N 3.07Å
338	Q	68.9	Low	71.5	Confident	121 Å²	121	83.9 Å²	83.9	57%	0.565	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-63.5	-15.2	177.8	-76	-168.7	-19.1	0	0	113.4	H334	H334-Q338 PolarHBondContact CE1-NE2 3.18Å; H334-Q338 PolarHBondContact NE2-NE2 2.76Å; H334-Q338 WeakPolarHBondContact O-CB 3.41Å; H334-Q338 WeakPolarHBondContact O-CG 3.41Å; H334-Q338 PolarHBondContact O-N 2.83Å
339	R	57.1	Low	71	Confident	58 Å²	58	84.2 Å²	84.2	22%	0.219	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-96.9	8	-167.3	-83.7	-167.4	-173.3	115.8	-8.7	116.9	L335 H336 F337 K341	L335-R339 WeakPolarHBondContact O-CD 3.43Å; L335-R339 VanDerWaalsContact O-CG 3.22Å; L335-R339 WeakPolarHBondContact O-CG 3.33Å; L335-R339 PolarHBondContact O-NH1 3.05Å; H336-R339 PolarHBondContact O-N 2.83Å; F337-R339 PolarHBondContact O-N 2.82Å; F337-R339 VanDerWaalsContact O-N 3.07Å; R339-K341 PolarHBondContact O-N 2.8Å
340	V	57.6	Low	70.5	Confident	132 Å²	132	86 Å²	86	80%	0.8	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-56.1	-16.5	163.6	179.8	0	0	0	0	111.4
341	K	57	Low	70	Confident	191 Å²	191	91.3 Å²	91.3	83%	0.83	45%	0.445	S	S	*	.	S	Bend	trans	-100.6	-35.7	-172.8	-69.5	-172	177.1	-178.9	0	119.2	R339	R339-K341 PolarHBondContact O-N 2.8Å
342	S	53.3	Low	69.6	Low	89 Å²	89	90.7 Å²	90.7	62%	0.622	45%	0.445	S	S	*	.	S	Bend	trans	178.9	142.9	176.3	-131	0	0	0	0	115.5
343	K	61.5	Low	69.4	Low	170 Å²	170	90.3 Å²	90.3	74%	0.739	44%	0.442	S	S	*	.			trans	93.2	135.6	168.3	-58	-176.7	179.1	-179.3	0	118.7
344	H	64.9	Low	69	Low	125 Å²	125	97 Å²	97	58%	0.579	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-59.4	162.7	173.3	-78.2	79.6	0	0	0	111.8
345	V	67.8	Low	68.5	Low	3 Å²	3	98.8 Å²	98.8	2%	0.018	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-53.4	130.7	172.9	-172.6	0	0	0	0	109	L349 I350 E559 W560 V563	V345-L349 HydrophobicContact CG1-CB 4.05Å; V345-L349 HydrophobicContact CG1-CD2 3.87Å; V345-L349 HydrophobicContact CG1-CG 4.2Å; V345-I350 HydrophobicContact CB-CD1 3.92Å; V345-I350 HydrophobicContact CB-CG1 3.72Å; V345-I350 HydrophobicContact CG1-CD1 4.39Å; V345-I350 HydrophobicContact CG1-CG1 3.64Å; V345-E559 HydrophobicContact CG2-CB 3.81Å; V345-W560 HydrophobicContact CB-CH2 4.35Å; V345-W560 HydrophobicContact CB-CZ2 3.99Å; V345-W560 HydrophobicContact CG1-CH2 3.88Å; V345-W560 HydrophobicContact CG1-CZ2 4.05Å; V345-W560 HydrophobicContact CG1-CZ3 4.44Å; V345-W560 HydrophobicContact CG2-CD2 4.07Å; V345-W560 HydrophobicContact CG2-CG 4.38Å; V345-W560 HydrophobicContact CG2-CH2 4.28Å; V345-W560 HydrophobicContact CG2-CZ2 3.71Å; V345-V563 HydrophobicContact CG1-CG2 4Å
346	P	72.7	Confident	68.3	Low	35 Å²	35	99.1 Å²	99.1	23%	0.227	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-51.3	132.7	177.1	-27.3	34.1	0	0	0	110.8	W348 L349 I350	P346-W348 VanDerWaalsContact CB-CD1 3.42Å; P346-W348 HydrophobicContact CB-CG 4.28Å; P346-W348 PolarHBondContact O-N 3.33Å; P346-W348 VanDerWaalsContact O-N 3.09Å; P346-L349 HydrophobicContact CB-CB 4.4Å; P346-L349 WeakPolarHBondContact O-CB 3.47Å; P346-L349 PolarHBondContact O-N 2.85Å; P346-I350 PolarHBondContact O-N 3.03Å
347	P	73.8	Confident	68.1	Low	110 Å²	110	97.3 Å²	97.3	71%	0.714	46%	0.464	S	S	*	.	H	α-helix	trans	-56.7	-32.1	-174.8	-27.4	33.7	0	0	0	113.8	I350 K351	P347-I350 PolarHBondContact O-N 3.24Å; P347-K351 PolarHBondContact O-N 3.14Å
348	W	80.2	Confident	67.7	Low	171 Å²	171	95.7 Å²	95.7	65%	0.648	47%	0.466	S	S	*	.	H	α-helix	trans	-63.9	-39.4	175.8	70.9	-96.6	0	0	0	112.1	P346 K351 V352	P346-W348 VanDerWaalsContact CB-CD1 3.42Å; P346-W348 HydrophobicContact CB-CG 4.28Å; P346-W348 PolarHBondContact O-N 3.33Å; P346-W348 VanDerWaalsContact O-N 3.09Å; W348-K351 WeakPolarHBondContact O-CB 3.39Å; W348-K351 PolarHBondContact O-N 2.83Å; W348-V352 HydrophobicContact CE3-CG2 4.35Å; W348-V352 WeakPolarHBondContact O-CG2 3.32Å; W348-V352 PolarHBondContact O-N 2.88Å
349	L	72.3	Confident	67.5	Low	26 Å²	26	95.9 Å²	95.9	14%	0.136	47%	0.471	C	S	.	.	H	α-helix	trans	-71.2	-38.8	-179.4	-171.5	65.5	0	0	0	110.7	V345 P346 K351 V352 V353 W560 V563	V345-L349 HydrophobicContact CG1-CB 4.05Å; V345-L349 HydrophobicContact CG1-CD2 3.87Å; V345-L349 HydrophobicContact CG1-CG 4.2Å; P346-L349 HydrophobicContact CB-CB 4.4Å; P346-L349 WeakPolarHBondContact O-CB 3.47Å; P346-L349 PolarHBondContact O-N 2.85Å; L349-K351 VanDerWaalsContact C-N 3.29Å; L349-K351 PolarHBondContact O-N 3.08Å; L349-V352 PolarHBondContact O-N 3.37Å; L349-V353 WeakPolarHBondContact O-CB 3.22Å; L349-V353 VanDerWaalsContact O-CG2 3.27Å; L349-V353 WeakPolarHBondContact O-CG2 3.38Å; L349-V353 PolarHBondContact O-N 2.72Å; L349-W560 HydrophobicContact CD2-CH2 3.89Å; L349-W560 HydrophobicContact CD2-CZ3 3.83Å; L349-V563 HydrophobicContact CD1-CG1 4.46Å; L349-V563 HydrophobicContact CD2-CG1 3.76Å; L349-V563 HydrophobicContact CG-CG1 4.07Å
350	I	71.4	Confident	67.8	Low	43 Å²	43	93.8 Å²	93.8	22%	0.221	46%	0.464	C	S	.	.	H	α-helix	trans	-61.2	-40.6	171.6	-59.3	176.4	0	0	0	110.5	V345 P346 P347 V353 R354	V345-I350 HydrophobicContact CB-CD1 3.92Å; V345-I350 HydrophobicContact CB-CG1 3.72Å; V345-I350 HydrophobicContact CG1-CD1 4.39Å; V345-I350 HydrophobicContact CG1-CG1 3.64Å; P346-I350 PolarHBondContact O-N 3.03Å; P347-I350 PolarHBondContact O-N 3.24Å; I350-V353 PolarHBondContact O-N 2.93Å; I350-R354 HydrophobicContact CG2-CG 4.32Å; I350-R354 WeakPolarHBondContact O-CB 3.31Å; I350-R354 WeakPolarHBondContact O-CG 3.43Å; I350-R354 PolarHBondContact O-N 2.99Å
351	K	74	Confident	68	Low	164 Å²	164	95.5 Å²	95.5	71%	0.713	46%	0.463	S	S	*	.	H	α-helix	trans	-64.2	-43.7	178.5	-165.2	173.9	-176.2	176.5	0	111.7	P347 W348 L349 R354 F355	P347-K351 PolarHBondContact O-N 3.14Å; W348-K351 WeakPolarHBondContact O-CB 3.39Å; W348-K351 PolarHBondContact O-N 2.83Å; L349-K351 VanDerWaalsContact C-N 3.29Å; L349-K351 PolarHBondContact O-N 3.08Å; K351-R354 PolarHBondContact O-N 3.36Å; K351-F355 WeakPolarHBondContact O-CB 3.46Å; K351-F355 PolarHBondContact O-N 3.04Å
352	V	72.9	Confident	68.1	Low	62 Å²	62	87.9 Å²	87.9	38%	0.376	43%	0.432	S	S	.	.	H	α-helix	trans	-63.3	-46.5	174.7	172.6	0	0	0	0	111.1	W348 L349 R354 F355 F356	W348-V352 HydrophobicContact CE3-CG2 4.35Å; W348-V352 WeakPolarHBondContact O-CG2 3.32Å; W348-V352 PolarHBondContact O-N 2.88Å; L349-V352 PolarHBondContact O-N 3.37Å; V352-R354 PolarHBondContact O-N 3.02Å; V352-F355 WeakPolarHBondContact O-CB 3.24Å; V352-F355 PolarHBondContact O-N 3.29Å; V352-F356 HydrophobicContact CG1-CD2 3.72Å; V352-F356 HydrophobicContact CG1-CE2 3.78Å; V352-F356 VanDerWaalsContact O-CD2 3.31Å; V352-F356 WeakPolarHBondContact O-CD2 3.44Å; V352-F356 PolarHBondContact O-N 3.18Å
353	V	72.1	Confident	68.2	Low	6 Å²	6	88.6 Å²	88.6	4%	0.036	44%	0.437	C	S	.	.	H	α-helix	trans	-63.1	-42.5	177.9	166.7	0	0	0	0	111.3	L349 I350 F355 F356 A357 L562 V563 T566	L349-V353 WeakPolarHBondContact O-CB 3.22Å; L349-V353 VanDerWaalsContact O-CG2 3.27Å; L349-V353 WeakPolarHBondContact O-CG2 3.38Å; L349-V353 PolarHBondContact O-N 2.72Å; I350-V353 PolarHBondContact O-N 2.93Å; V353-F355 VanDerWaalsContact C-N 3.33Å; V353-F355 PolarHBondContact O-N 3.41Å; V353-F356 PolarHBondContact O-N 2.95Å; V353-A357 WeakPolarHBondContact O-CA 3.39Å; V353-A357 WeakPolarHBondContact O-CB 3.32Å; V353-A357 PolarHBondContact O-N 2.92Å; V353-L562 HydrophobicContact CG1-CD2 4.02Å; V353-L562 HydrophobicContact CG1-CG 4.34Å; V353-V563 HydrophobicContact CG2-CB 4.16Å; V353-V563 HydrophobicContact CG2-CG1 4.06Å; V353-V563 HydrophobicContact CG2-CG2 3.96Å; V353-T566 HydrophobicContact CG1-CG2 4.18Å; V353-T566 HydrophobicContact CG2-CG2 4.5Å
354	R	70.7	Confident	67.7	Low	170 Å²	170	90.2 Å²	90.2	64%	0.642	44%	0.444	S	S	*	.	H	α-helix	trans	-62.9	-39.4	175.2	-76.7	-177.3	-162.4	160	5.4	112.3	I350 K351 V352 T358	I350-R354 HydrophobicContact CG2-CG 4.32Å; I350-R354 WeakPolarHBondContact O-CB 3.31Å; I350-R354 WeakPolarHBondContact O-CG 3.43Å; I350-R354 PolarHBondContact O-N 2.99Å; K351-R354 PolarHBondContact O-N 3.36Å; V352-R354 PolarHBondContact O-N 3.02Å; R354-T358 WeakPolarHBondContact O-CB 3.41Å; R354-T358 PolarHBondContact O-N 3.13Å; R354-T358 VanDerWaalsContact O-N 3.08Å; R354-T358 PolarHBondContact O-OG1 2.89Å
355	F	71.7	Confident	67	Low	144 Å²	144	88.3 Å²	88.3	63%	0.632	44%	0.438	S	S	*	.	H	α-helix	trans	-60.2	-51.2	176.6	-179.9	-99.3	0	0	0	111	K351 V352 V353 L359	K351-F355 WeakPolarHBondContact O-CB 3.46Å; K351-F355 PolarHBondContact O-N 3.04Å; V352-F355 WeakPolarHBondContact O-CB 3.24Å; V352-F355 PolarHBondContact O-N 3.29Å; V353-F355 VanDerWaalsContact C-N 3.33Å; V353-F355 PolarHBondContact O-N 3.41Å; F355-L359 PolarHBondContact O-N 2.78Å
356	F	70.7	Confident	66.1	Low	63 Å²	63	96.5 Å²	96.5	28%	0.276	48%	0.476	S	S	.	.	H	α-helix	trans	-75.7	-32	179.9	-73.8	-65.4	0	0	0	114.2	V352 V353 T358 L359 L360 T566 L570	V352-F356 HydrophobicContact CG1-CD2 3.72Å; V352-F356 HydrophobicContact CG1-CE2 3.78Å; V352-F356 VanDerWaalsContact O-CD2 3.31Å; V352-F356 WeakPolarHBondContact O-CD2 3.44Å; V352-F356 PolarHBondContact O-N 3.18Å; V353-F356 PolarHBondContact O-N 2.95Å; F356-T358 VanDerWaalsContact C-N 3.29Å; F356-T358 PolarHBondContact O-N 3.11Å; F356-L359 HydrophobicContact CD1-CD2 4.47Å; F356-L359 WeakPolarHBondContact O-CB 3.33Å; F356-L359 PolarHBondContact O-N 3.42Å; F356-L360 VanDerWaalsContact O-CB 3.27Å; F356-L360 WeakPolarHBondContact O-CB 3.24Å; F356-L360 VanDerWaalsContact O-CG 3.3Å; F356-L360 WeakPolarHBondContact O-CG 3.34Å; F356-L360 PolarHBondContact O-N 2.95Å; F356-T566 HydrophobicContact CB-CG2 3.93Å; F356-L570 HydrophobicContact CB-CD1 3.77Å; F356-L570 HydrophobicContact CB-CD2 3.94Å; F356-L570 HydrophobicContact CB-CG 4.19Å; F356-L570 HydrophobicContact CD1-CD1 3.97Å; F356-L570 HydrophobicContact CD1-CD2 3.26Å; F356-L570 HydrophobicContact CD1-CG 4.21Å; F356-L570 HydrophobicContact CD2-CD1 3.64Å; F356-L570 HydrophobicContact CD2-CD2 4.49Å; F356-L570 HydrophobicContact CE1-CD1 4.43Å; F356-L570 HydrophobicContact CE1-CD2 3.77Å; F356-L570 HydrophobicContact CE2-CD1 4.15Å; F356-L570 HydrophobicContact CG-CD1 3.53Å; F356-L570 HydrophobicContact CG-CD2 3.67Å; F356-L570 HydrophobicContact CG-CG 4.14Å
357	A	66.6	Low	64.9	Low	12 Å²	12	100 Å²	100	10%	0.099	50%	0.499	C	S	.	.	H	α-helix	trans	-65.3	-35.3	175.9	0	0	0	0	0	111.7	V353 L359 L360 H361 V362	V353-A357 WeakPolarHBondContact O-CA 3.39Å; V353-A357 WeakPolarHBondContact O-CB 3.32Å; V353-A357 PolarHBondContact O-N 2.92Å; A357-L359 VanDerWaalsContact C-N 3.35Å; A357-L360 PolarHBondContact O-N 2.02Å; A357-H361 PolarHBondContact O-N 2.56Å; A357-V362 HydrophobicContact CB-CB 4.15Å; A357-V362 PolarHBondContact O-N 3.43Å; A357-V362 VanDerWaalsContact O-N 3.1Å
358	T	64.3	Low	63.6	Low	114 Å²	114	97.8 Å²	97.8	70%	0.699	48%	0.484	S	S	*	.	H	α-helix	trans	-66	-39.7	173.3	-52.6	0	0	0	0	110.8	R354 F356	R354-T358 WeakPolarHBondContact O-CB 3.41Å; R354-T358 PolarHBondContact O-N 3.13Å; R354-T358 VanDerWaalsContact O-N 3.08Å; R354-T358 PolarHBondContact O-OG1 2.89Å; F356-T358 VanDerWaalsContact C-N 3.29Å; F356-T358 PolarHBondContact O-N 3.11Å
359	L	64.9	Low	62.2	Low	126 Å²	126	95.6 Å²	95.6	66%	0.66	49%	0.489	S	S	*	.	H	α-helix	trans	-70.1	-34.2	176.3	-169.9	66.6	0	0	0	112.8	F355 F356 A357	F355-L359 PolarHBondContact O-N 2.78Å; F356-L359 HydrophobicContact CD1-CD2 4.47Å; F356-L359 WeakPolarHBondContact O-CB 3.33Å; F356-L359 PolarHBondContact O-N 3.42Å; A357-L359 VanDerWaalsContact C-N 3.35Å
360	L	63.2	Low	61.2	Low	13 Å²	13	97 Å²	97	7%	0.068	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	9.7	-173.3	-69.2	172.2	0	0	0	114.5	F356 A357 V362 R569 L570 W573	F356-L360 VanDerWaalsContact O-CB 3.27Å; F356-L360 WeakPolarHBondContact O-CB 3.24Å; F356-L360 VanDerWaalsContact O-CG 3.3Å; F356-L360 WeakPolarHBondContact O-CG 3.34Å; F356-L360 PolarHBondContact O-N 2.95Å; A357-L360 PolarHBondContact O-N 2.02Å; L360-V362 HydrophobicContact CB-CG2 4.26Å; L360-V362 PolarHBondContact O-N 2.89Å; L360-V362 VanDerWaalsContact O-N 3.16Å; L360-R569 HydrophobicContact CD1-CB 4.14Å; L360-R569 HydrophobicContact CD1-CG 4.09Å; L360-R569 HydrophobicContact CD2-CG 4.36Å; L360-R569 PolarHBondContact O-NH1 2.87Å; L360-R569 PolarHBondContact O-NH2 3.14Å; L360-L570 HydrophobicContact CD1-CD2 3.57Å; L360-L570 HydrophobicContact CD1-CG 3.71Å; L360-L570 HydrophobicContact CG-CD2 4.39Å; L360-W573 HydrophobicContact CD2-CD2 4.44Å; L360-W573 HydrophobicContact CD2-CG 4.02Å
361	H	61.6	Low	60.3	Low	169 Å²	169	98.3 Å²	98.3	78%	0.782	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	41.2	-176	-71.3	99.1	0	0	0	113.1	A357 S363	A357-H361 PolarHBondContact O-N 2.56Å; H361-S363 PolarHBondContact O-N 2.86Å
362	V	59.4	Low	59.2	Low	30 Å²	30	94.1 Å²	94.1	18%	0.182	50%	0.502	C	S	.	.			trans	-82.9	112.9	169	178.7	0	0	0	0	106.4	A357 L360 K364 L562 R569	A357-V362 HydrophobicContact CB-CB 4.15Å; A357-V362 PolarHBondContact O-N 3.43Å; A357-V362 VanDerWaalsContact O-N 3.1Å; L360-V362 HydrophobicContact CB-CG2 4.26Å; L360-V362 PolarHBondContact O-N 2.89Å; L360-V362 VanDerWaalsContact O-N 3.16Å; V362-K364 PolarHBondContact O-N 3.11Å; V362-L562 HydrophobicContact CG1-CD1 3.79Å; V362-R569 VanDerWaalsContact CG2-NH1 3.29Å
363	S	55.8	Low	58.3	Low	105 Å²	105	93.8 Å²	93.8	73%	0.734	51%	0.505	S	S	*	.			trans	-47.5	131.1	-176.5	49.2	0	0	0	0	112.1	H361	H361-S363 PolarHBondContact O-N 2.86Å
364	K	50.7	Low	57.7	Low	204 Å²	204	98 Å²	98	89%	0.887	53%	0.528	S	S	*	.			trans	-45.4	137.9	176.4	-84.2	173.5	173.1	172.7	0	111.2	V362 E366	V362-K364 PolarHBondContact O-N 3.11Å; K364-E366 PolarHBondContact O-N 3.05Å
365	L	51.1	Low	57.3	Low	84 Å²	84	96.4 Å²	96.4	44%	0.44	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-55.4	120.1	157.1	-111.3	78.9	0	0	0	107.6	L562	L365-L562 HydrophobicContact CD1-CB 4.46Å; L365-L562 HydrophobicContact CD1-CD1 4.1Å; L365-L562 HydrophobicContact CD1-CD2 3.69Å; L365-L562 HydrophobicContact CD1-CG 4.3Å
366	E	48.9	Very low	56.9	Low	176 Å²	176	95.3 Å²	95.3	82%	0.822	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-57.3	134	159.8	-86.3	175.2	151.3	0	0	108.6	K364	K364-E366 PolarHBondContact O-N 3.05Å
367	P	46.3	Very low	56.5	Low	108 Å²	108	95.2 Å²	95.2	70%	0.701	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-59.5	145	175.8	25.7	-32.4	0	0	0	109.5	V369	P367-V369 PolarHBondContact O-N 3.49Å
368	P	47	Very low	56.5	Low	64 Å²	64	97.7 Å²	97.7	42%	0.416	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-61	125.8	-178.3	24.9	-32.4	0	0	0	110.2	V370 A371	P368-V370 HydrophobicContact CB-CB 4.43Å; P368-V370 HydrophobicContact CB-CG2 4.36Å; P368-V370 PolarHBondContact O-N 3.31Å; P368-A371 PolarHBondContact O-N 2.88Å
369	V	50.5	Low	56.9	Low	124 Å²	124	94.7 Å²	94.7	75%	0.752	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-14.3	172.1	178.5	0	0	0	0	112.6	P367 A371 D372 A373	P367-V369 PolarHBondContact O-N 3.49Å; V369-A371 PolarHBondContact O-N 3.06Å; V369-D372 PolarHBondContact O-N 3.16Å; V369-A373 PolarHBondContact O-N 2.88Å
370	V	51.9	Low	57.1	Low	56 Å²	56	92 Å²	92	34%	0.339	52%	0.516	S	S	.	.	H	α-helix	trans	-70	-23.5	-175.6	-171.5	0	0	0	0	113.9	P368 D372 A373 N374	P368-V370 HydrophobicContact CB-CB 4.43Å; P368-V370 HydrophobicContact CB-CG2 4.36Å; P368-V370 PolarHBondContact O-N 3.31Å; V370-D372 VanDerWaalsContact C-N 3.28Å; V370-D372 PolarHBondContact O-N 2.94Å; V370-A373 PolarHBondContact O-N 2.92Å; V370-N374 PolarHBondContact O-N 2.93Å
371	A	51.3	Low	57.5	Low	70 Å²	70	95.8 Å²	95.8	58%	0.579	53%	0.534	S	S	*	.	H	α-helix	trans	-61.9	-39.4	174.2	0	0	0	0	0	111.6	P368 V369 Q375	P368-A371 PolarHBondContact O-N 2.88Å; V369-A371 PolarHBondContact O-N 3.06Å; A371-Q375 WeakPolarHBondContact O-CB 3.22Å; A371-Q375 PolarHBondContact O-N 3.02Å; A371-Q375 VanDerWaalsContact O-N 3.15Å
372	D	51.6	Low	58	Low	77 Å²	77	90 Å²	90	41%	0.412	52%	0.515	S	S	.	.	H	α-helix	trans	-71.5	-36.3	176.4	-175.4	40.8	0	0	0	111.6	V369 V370 Q375 K376	V369-D372 PolarHBondContact O-N 3.16Å; V370-D372 VanDerWaalsContact C-N 3.28Å; V370-D372 PolarHBondContact O-N 2.94Å; D372-Q375 PolarHBondContact O-N 2.99Å; D372-K376 WeakPolarHBondContact O-CB 3.41Å; D372-K376 VanDerWaalsContact O-CG 3.22Å; D372-K376 WeakPolarHBondContact O-CG 3.32Å; D372-K376 PolarHBondContact O-N 2.84Å; D372-K376 VanDerWaalsContact OD1-CE 3.29Å; D372-K376 WeakPolarHBondContact OD1-CE 3.29Å; D372-K376 IonicContact OD1-NZ 3.61Å; D372-K376 VanDerWaalsContact OD2-CE 3.28Å; D372-K376 WeakPolarHBondContact OD2-CE 3.28Å; D372-K376 IonicContact OD2-NZ 2.67Å; D372-K376 PolarHBondContact OD2-NZ 3.4Å
373	A	54.6	Low	58.7	Low	54 Å²	54	94.9 Å²	94.9	45%	0.446	54%	0.536	S	S	.	.	H	α-helix	trans	-67.3	-42.4	177.2	0	0	0	0	0	113.1	V369 V370 K376 L377	V369-A373 PolarHBondContact O-N 2.88Å; V370-A373 PolarHBondContact O-N 2.92Å; A373-K376 PolarHBondContact O-N 3.44Å; A373-L377 WeakPolarHBondContact O-CB 3.4Å; A373-L377 PolarHBondContact O-N 3.5Å
374	N	58.1	Low	59.4	Low	96 Å²	96	94.2 Å²	94.2	51%	0.513	52%	0.523	S	S	.	.	H	α-helix	trans	-70.1	-33.2	176.7	-75.2	-21.5	0	0	0	112.2	V370 L377 S378	V370-N374 PolarHBondContact O-N 2.93Å; N374-L377 PolarHBondContact O-N 2.88Å; N374-S378 PolarHBondContact O-N 3.26Å; N374-S378 PolarHBondContact O-OG 2.84Å
375	Q	63.7	Low	60.5	Low	135 Å²	135	91.7 Å²	91.7	63%	0.631	51%	0.512	S	S	*	.	H	α-helix	trans	-69.9	-39.5	173.8	-171.2	171.5	-1.6	0	0	111.8	A371 D372 S378 A379	A371-Q375 WeakPolarHBondContact O-CB 3.22Å; A371-Q375 PolarHBondContact O-N 3.02Å; A371-Q375 VanDerWaalsContact O-N 3.15Å; D372-Q375 PolarHBondContact O-N 2.99Å; Q375-S378 PolarHBondContact O-OG 2.88Å; Q375-A379 WeakPolarHBondContact O-CB 3.49Å; Q375-A379 PolarHBondContact O-N 2.99Å; Q375-A379 VanDerWaalsContact O-N 3.08Å
376	K	62.3	Low	61.5	Low	122 Å²	122	92.4 Å²	92.4	53%	0.53	52%	0.516	S	S	.	.	H	α-helix	trans	-64.8	-39	172.1	-76.1	169.8	175.8	167.7	0	111.9	D372 A373 A379 V380	D372-K376 WeakPolarHBondContact O-CB 3.41Å; D372-K376 VanDerWaalsContact O-CG 3.22Å; D372-K376 WeakPolarHBondContact O-CG 3.32Å; D372-K376 PolarHBondContact O-N 2.84Å; D372-K376 VanDerWaalsContact OD1-CE 3.29Å; D372-K376 WeakPolarHBondContact OD1-CE 3.29Å; D372-K376 IonicContact OD1-NZ 3.61Å; D372-K376 VanDerWaalsContact OD2-CE 3.28Å; D372-K376 WeakPolarHBondContact OD2-CE 3.28Å; D372-K376 IonicContact OD2-NZ 2.67Å; D372-K376 PolarHBondContact OD2-NZ 3.4Å; A373-K376 PolarHBondContact O-N 3.44Å; K376-A379 PolarHBondContact O-N 2.94Å; K376-V380 VanDerWaalsContact O-CG2 3.31Å; K376-V380 WeakPolarHBondContact O-CG2 3.4Å; K376-V380 PolarHBondContact O-N 2.87Å
377	L	62.3	Low	62.4	Low	60 Å²	60	86.6 Å²	86.6	31%	0.314	50%	0.499	S	S	.	.	H	α-helix	trans	-67.1	-44.4	177.2	-171.9	74.3	0	0	0	112.5	A373 N374 A379 V380 E381 M544	A373-L377 WeakPolarHBondContact O-CB 3.4Å; A373-L377 PolarHBondContact O-N 3.5Å; N374-L377 PolarHBondContact O-N 2.88Å; L377-A379 VanDerWaalsContact C-N 3.28Å; L377-A379 PolarHBondContact O-N 2.89Å; L377-V380 PolarHBondContact O-N 3.29Å; L377-V380 VanDerWaalsContact O-N 3.15Å; L377-E381 PolarHBondContact O-N 3.44Å; L377-M544 HydrophobicContact CD1-CE 3.54Å; L377-M544 HydrophobicContact CD2-CE 3.18Å; L377-M544 HydrophobicContact CG-CE 3.89Å
378	S	67.7	Low	63.2	Low	65 Å²	65	87.5 Å²	87.5	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-66.1	-33.3	177.8	65.4	0	0	0	0	112	N374 Q375 E381 A382	N374-S378 PolarHBondContact O-N 3.26Å; N374-S378 PolarHBondContact O-OG 2.84Å; Q375-S378 PolarHBondContact O-OG 2.88Å; S378-E381 PolarHBondContact O-N 3.35Å; S378-A382 WeakPolarHBondContact O-CB 3.35Å; S378-A382 PolarHBondContact O-N 3.29Å
379	A	72.2	Confident	64	Low	51 Å²	51	90.7 Å²	90.7	42%	0.421	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-42.5	170.5	0	0	0	0	0	112	Q375 K376 L377 A382 Q383	Q375-A379 WeakPolarHBondContact O-CB 3.49Å; Q375-A379 PolarHBondContact O-N 2.99Å; Q375-A379 VanDerWaalsContact O-N 3.08Å; K376-A379 PolarHBondContact O-N 2.94Å; L377-A379 VanDerWaalsContact C-N 3.28Å; L377-A379 PolarHBondContact O-N 2.89Å; A379-A382 PolarHBondContact O-N 3.46Å; A379-Q383 WeakPolarHBondContact O-CG 3.29Å; A379-Q383 PolarHBondContact O-N 2.83Å
380	V	70	Confident	64.4	Low	69 Å²	69	92.6 Å²	92.6	42%	0.418	50%	0.501	S	S	.	.	H	α-helix	trans	-66.8	-42	175.8	172.2	0	0	0	0	111.5	K376 L377 A382 Q383 I384	K376-V380 VanDerWaalsContact O-CG2 3.31Å; K376-V380 WeakPolarHBondContact O-CG2 3.4Å; K376-V380 PolarHBondContact O-N 2.87Å; L377-V380 PolarHBondContact O-N 3.29Å; L377-V380 VanDerWaalsContact O-N 3.15Å; V380-A382 VanDerWaalsContact C-N 3.33Å; V380-A382 PolarHBondContact O-N 2.83Å; V380-Q383 PolarHBondContact O-N 2.82Å; V380-I384 HydrophobicContact CG1-CD1 3.92Å; V380-I384 WeakPolarHBondContact O-CG1 3.39Å; V380-I384 PolarHBondContact O-N 3.1Å
381	E	70	Confident	64.4	Low	93 Å²	93	97 Å²	97	44%	0.435	52%	0.518	S	S	.	.	H	α-helix	trans	-62.9	-39.1	175.5	-74.2	-169.2	157.7	0	0	112.3	L377 S378 I384 K385	L377-E381 PolarHBondContact O-N 3.44Å; S378-E381 PolarHBondContact O-N 3.35Å; E381-I384 PolarHBondContact O-N 3.05Å; E381-K385 PolarHBondContact O-N 2.87Å
382	A	73.7	Confident	64.2	Low	47 Å²	47	96.3 Å²	96.3	39%	0.388	51%	0.508	S	S	.	.	H	α-helix	trans	-64.8	-40.8	174.5	0	0	0	0	0	111.8	S378 A379 V380 K385 N386	S378-A382 WeakPolarHBondContact O-CB 3.35Å; S378-A382 PolarHBondContact O-N 3.29Å; A379-A382 PolarHBondContact O-N 3.46Å; V380-A382 VanDerWaalsContact C-N 3.33Å; V380-A382 PolarHBondContact O-N 2.83Å; A382-K385 PolarHBondContact O-N 2.79Å; A382-N386 WeakPolarHBondContact O-CB 3.34Å; A382-N386 PolarHBondContact O-N 3.47Å
383	Q	73.6	Confident	64.2	Low	133 Å²	133	96.1 Å²	96.1	62%	0.621	51%	0.51	S	S	*	.	H	α-helix	trans	-62.6	-41.7	174.8	-75.6	178.7	-11.8	0	0	112.1	A379 V380 N386 A387	A379-Q383 WeakPolarHBondContact O-CG 3.29Å; A379-Q383 PolarHBondContact O-N 2.83Å; V380-Q383 PolarHBondContact O-N 2.82Å; Q383-N386 PolarHBondContact O-N 3.37Å; Q383-A387 WeakPolarHBondContact O-CB 3.27Å; Q383-A387 PolarHBondContact O-N 2.86Å
384	I	69.9	Low	63.7	Low	90 Å²	90	100.5 Å²	100.5	46%	0.462	52%	0.519	S	S	.	.	H	α-helix	trans	-66.7	-40.2	177.8	-67.2	166.8	0	0	0	111.3	V380 E381 A387 K388	V380-I384 HydrophobicContact CG1-CD1 3.92Å; V380-I384 WeakPolarHBondContact O-CG1 3.39Å; V380-I384 PolarHBondContact O-N 3.1Å; E381-I384 PolarHBondContact O-N 3.05Å; I384-A387 PolarHBondContact O-N 3.04Å; I384-K388 PolarHBondContact O-N 3.31Å
385	K	73.7	Confident	63.1	Low	151 Å²	151	99 Å²	99	66%	0.657	52%	0.516	S	S	*	.	H	α-helix	trans	-63.5	-44	174.7	-77.9	-177.3	-179.9	178.6	0	111.9	E381 A382 A387 K388 M389	E381-K385 PolarHBondContact O-N 2.87Å; A382-K385 PolarHBondContact O-N 2.79Å; K385-A387 VanDerWaalsContact C-N 3.32Å; K385-A387 PolarHBondContact O-N 3.37Å; K385-K388 PolarHBondContact O-N 3.49Å; K385-M389 PolarHBondContact O-N 3.46Å
386	N	73.5	Confident	62.3	Low	99 Å²	99	98.6 Å²	98.6	53%	0.529	51%	0.514	S	S	.	.	H	α-helix	trans	-64.6	-35.9	177.2	-74.3	-13.3	0	0	0	112.4	A382 Q383 K390	A382-N386 WeakPolarHBondContact O-CB 3.34Å; A382-N386 PolarHBondContact O-N 3.47Å; Q383-N386 PolarHBondContact O-N 3.37Å; N386-K390 WeakPolarHBondContact O-CG 3.31Å; N386-K390 PolarHBondContact O-N 2.95Å; N386-K390 VanDerWaalsContact O-N 3.07Å
387	A	67.2	Low	61.6	Low	55 Å²	55	97.7 Å²	97.7	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-65.5	-42.1	174.2	0	0	0	0	0	112	Q383 I384 K385 K390 Q391	Q383-A387 WeakPolarHBondContact O-CB 3.27Å; Q383-A387 PolarHBondContact O-N 2.86Å; I384-A387 PolarHBondContact O-N 3.04Å; K385-A387 VanDerWaalsContact C-N 3.32Å; K385-A387 PolarHBondContact O-N 3.37Å; A387-K390 PolarHBondContact O-N 3.17Å; A387-Q391 PolarHBondContact O-N 3.43Å
388	K	63.4	Low	60.6	Low	126 Å²	126	98.8 Å²	98.8	55%	0.548	52%	0.521	S	S	.	.	H	α-helix	trans	-63.3	-41	175.6	-76.9	-174.2	175.5	-172.5	0	112.8	I384 K385 Q391 S392	I384-K388 PolarHBondContact O-N 3.31Å; K385-K388 PolarHBondContact O-N 3.49Å; K388-Q391 PolarHBondContact O-N 2.77Å; K388-S392 PolarHBondContact O-N 3.39Å
389	M	62.6	Low	59.4	Low	132 Å²	132	102.7 Å²	102.7	65%	0.65	54%	0.536	S	S	*	.	H	α-helix	trans	-67.5	-40.2	178.7	-142.4	176.5	-158	0	0	111.6	K385 Q391 S392 V393	K385-M389 PolarHBondContact O-N 3.46Å; M389-Q391 PolarHBondContact O-N 3.09Å; M389-S392 PolarHBondContact O-N 2.84Å; M389-S392 PolarHBondContact O-OG 2.94Å; M389-V393 VanDerWaalsContact O-CG2 3.3Å; M389-V393 WeakPolarHBondContact O-CG2 3.23Å; M389-V393 PolarHBondContact O-N 3.29Å
390	K	58.7	Low	58	Low	163 Å²	163	106.5 Å²	106.5	71%	0.709	55%	0.549	S	S	*	.	H	α-helix	trans	-64.4	-29.6	172.6	-76.3	-178.2	177.6	-177	0	112.7	N386 A387 K394	N386-K390 WeakPolarHBondContact O-CG 3.31Å; N386-K390 PolarHBondContact O-N 2.95Å; N386-K390 VanDerWaalsContact O-N 3.07Å; A387-K390 PolarHBondContact O-N 3.17Å; K390-K394 WeakPolarHBondContact O-CB 3.25Å; K390-K394 PolarHBondContact O-N 2.9Å
391	Q	52.3	Low	56.9	Low	149 Å²	149	107.7 Å²	107.7	70%	0.696	56%	0.557	S	S	*	*	H	α-helix	trans	-76.3	-36.9	177.3	-129.7	165.7	-2.9	0	0	112.3	A387 K388 M389 S395	A387-Q391 PolarHBondContact O-N 3.43Å; K388-Q391 PolarHBondContact O-N 2.77Å; M389-Q391 PolarHBondContact O-N 3.09Å; Q391-S395 PolarHBondContact O-N 3.09Å; Q391-S395 VanDerWaalsContact O-N 3.16Å; Q391-S395 PolarHBondContact O-OG 3Å
392	S	47	Very low	55.3	Low	55 Å²	55	113.6 Å²	113.6	39%	0.385	58%	0.575	S	S	.	*	H	α-helix	trans	-73.2	-38.9	176.2	85.3	0	0	0	0	112.8	K388 M389 K394 S395 E396	K388-S392 PolarHBondContact O-N 3.39Å; M389-S392 PolarHBondContact O-N 2.84Å; M389-S392 PolarHBondContact O-OG 2.94Å; S392-K394 VanDerWaalsContact C-N 3.29Å; S392-K394 PolarHBondContact O-N 2.89Å; S392-S395 WeakPolarHBondContact CA-OG 3.43Å; S392-S395 PolarHBondContact O-N 2.97Å; S392-S395 PolarHBondContact O-OG 2.93Å; S392-E396 PolarHBondContact O-N 2.95Å
393	V	51.8	Low	53.7	Low	73 Å²	73	116.5 Å²	116.5	44%	0.442	59%	0.592	S	S	.	*	H	α-helix	trans	-68.1	-30.7	175.8	174.6	0	0	0	0	111.5	M389 N397	M389-V393 VanDerWaalsContact O-CG2 3.3Å; M389-V393 WeakPolarHBondContact O-CG2 3.23Å; M389-V393 PolarHBondContact O-N 3.29Å; V393-N397 PolarHBondContact O-N 2.9Å; V393-N397 PolarHBondContact O-ND2 2.84Å
394	K	43.9	Very low	52.2	Low	146 Å²	146	114 Å²	114	64%	0.635	59%	0.589	S	S	*	*	H	α-helix	trans	-75.7	-28.1	175.2	-162.7	171.3	-174.3	179.1	0	112.4	K390 S392 L398	K390-K394 WeakPolarHBondContact O-CB 3.25Å; K390-K394 PolarHBondContact O-N 2.9Å; S392-K394 VanDerWaalsContact C-N 3.29Å; S392-K394 PolarHBondContact O-N 2.89Å; K394-L398 HydrophobicContact CG-CD1 4.13Å; K394-L398 VanDerWaalsContact O-CB 3.3Å; K394-L398 WeakPolarHBondContact O-CB 3.25Å; K394-L398 VanDerWaalsContact O-CD1 3.28Å; K394-L398 WeakPolarHBondContact O-CD1 3.28Å; K394-L398 VanDerWaalsContact O-CG 3.24Å; K394-L398 WeakPolarHBondContact O-CG 3.47Å; K394-L398 PolarHBondContact O-N 3Å
395	S	45.5	Very low	50.5	Low	64 Å²	64	117.7 Å²	117.7	45%	0.448	61%	0.61	S	S	.	*	H	α-helix	trans	-79.4	-28.4	174.2	54.7	0	0	0	0	113.8	Q391 S392 L399	Q391-S395 PolarHBondContact O-N 3.09Å; Q391-S395 VanDerWaalsContact O-N 3.16Å; Q391-S395 PolarHBondContact O-OG 3Å; S392-S395 WeakPolarHBondContact CA-OG 3.43Å; S392-S395 PolarHBondContact O-N 2.97Å; S392-S395 PolarHBondContact O-OG 2.93Å; S395-L399 PolarHBondContact O-N 2.82Å
396	E	46.2	Very low	48.6	Very low	128 Å²	128	118.8 Å²	118.8	60%	0.598	62%	0.618	S	S	*	*	H	α-helix	trans	-74.7	-42.2	174.1	-76.2	173.8	150.8	0	0	111.5	S392 L398 L399	S392-E396 PolarHBondContact O-N 2.95Å; E396-L398 VanDerWaalsContact C-N 3.3Å; E396-L398 PolarHBondContact O-N 3.13Å; E396-L399 PolarHBondContact O-N 3.29Å
397	N	48.1	Very low	46.8	Very low	102 Å²	102	122.7 Å²	122.7	55%	0.545	63%	0.633	S	S	.	*	H	α-helix	trans	-72.6	-20.1	176.5	-69.2	-17.2	0	0	0	113.9	V393 T401	V393-N397 PolarHBondContact O-N 2.9Å; V393-N397 PolarHBondContact O-ND2 2.84Å; N397-T401 PolarHBondContact O-OG1 2.91Å
398	L	41.9	Very low	45.1	Very low	84 Å²	84	127.6 Å²	127.6	44%	0.44	65%	0.651	S	S	.	*	H	α-helix	trans	-82.5	-20.1	174.5	-82.6	167.6	0	0	0	112.9	K394 E396 W402	K394-L398 HydrophobicContact CG-CD1 4.13Å; K394-L398 VanDerWaalsContact O-CB 3.3Å; K394-L398 WeakPolarHBondContact O-CB 3.25Å; K394-L398 VanDerWaalsContact O-CD1 3.28Å; K394-L398 WeakPolarHBondContact O-CD1 3.28Å; K394-L398 VanDerWaalsContact O-CG 3.24Å; K394-L398 WeakPolarHBondContact O-CG 3.47Å; K394-L398 PolarHBondContact O-N 3Å; E396-L398 VanDerWaalsContact C-N 3.3Å; E396-L398 PolarHBondContact O-N 3.13Å; L398-W402 WeakPolarHBondContact O-CB 3.49Å
399	L	41.9	Very low	44	Very low	146 Å²	146	127.4 Å²	127.4	76%	0.764	66%	0.662	S	S	*	*	H	α-helix	trans	-77.6	-31.2	175.5	-123.1	89.8	0	0	0	112.4	S395 E396	S395-L399 PolarHBondContact O-N 2.82Å; E396-L399 PolarHBondContact O-N 3.29Å
400	D	43.9	Very low	42.8	Very low	131 Å²	131	126.2 Å²	126.2	70%	0.701	66%	0.664	S	S	*	*	H	α-helix	trans	-84.1	-16.3	179.3	-71	-22.5	0	0	0	113.8
401	T	45.1	Very low	41.4	Very low	95 Å²	95	123.3 Å²	123.3	58%	0.583	67%	0.665	S	S	*	*	S	Bend	trans	-103.2	-4.5	-177.1	-37.7	0	0	0	0	113.1	N397	N397-T401 PolarHBondContact O-OG1 2.91Å
402	W	38.3	Very low	40.5	Very low	216 Å²	216	123.4 Å²	123.4	82%	0.818	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	11.8	-176.4	-86.8	52.5	0	0	0	114.8	L398	L398-W402 WeakPolarHBondContact O-CB 3.49Å
403	S	40.1	Very low	40.1	Very low	108 Å²	108	125.3 Å²	125.3	76%	0.755	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	4.3	174	59	0	0	0	0	114.2
404	S	41.3	Very low	39	Very low	80 Å²	80	130.4 Å²	130.4	56%	0.559	70%	0.7	S	S	*	*	S	Bend	trans	-142.7	113.1	-179	40.2	0	0	0	0	113.1
405	N	35	Very low	38.3	Very low	168 Å²	168	127.8 Å²	127.8	90%	0.898	70%	0.7	S	S	*	*			trans	80.3	124.7	154.7	-67.5	-22	0	0	0	121.5
406	Q	33.1	Very low	37.6	Very low	174 Å²	174	131.7 Å²	131.7	81%	0.813	72%	0.716	S	S	*	*			trans	-68.8	165.2	173.2	-68.3	166.5	-21.4	0	0	112.8
407	Q	34.6	Very low	36.8	Very low	182 Å²	182	131.5 Å²	131.5	85%	0.85	72%	0.718	S	S	*	*			trans	99.3	108.3	155.8	-74.4	158.9	-32.8	0	0	119.2
408	L	32.8	Very low	36	Very low	158 Å²	158	132.8 Å²	132.8	83%	0.827	72%	0.724	S	S	*	*			trans	-36.6	160.1	153.5	-73.2	136.1	0	0	0	113.8
409	P	39	Very low	35.4	Very low	121 Å²	121	136.9 Å²	136.9	79%	0.786	74%	0.74	S	S	*	*				-152.1	-172.7	50.7	40	-15.5	0	0	0	115.9
410	P	37.6	Very low	34.8	Very low	107 Å²	107	134.1 Å²	134.1	70%	0.695	73%	0.733	S	S	*	*			trans	-113.7	169.5	-148.7	42.7	-35.1	0	0	0	117.6
411	S	30.8	Very low	34.3	Very low	103 Å²	103	134.7 Å²	134.7	72%	0.72	74%	0.741	S	S	*	*			trans	67.8	129.3	139.9	67.8	0	0	0	0	122.3
412	N	31.9	Very low	33.4	Very low	151 Å²	151	133.2 Å²	133.2	81%	0.807	75%	0.745	S	S	*	*			trans	106.6	158	130.3	-116	20.3	0	0	0	117.8
413	P	39.5	Very low	32.9	Very low	94 Å²	94	129.9 Å²	129.9	61%	0.61	75%	0.748	S	S	*	*				-132.7	170.3	-106.5	39.5	-20.7	0	0	0	112.2
414	Q	28.3	Very low	32.1	Very low	181 Å²	181	133.5 Å²	133.5	85%	0.846	75%	0.753	S	S	*	*			trans	176.3	114.6	147.9	-106.3	170.1	-19.5	0	0	108.2
415	S	28.6	Very low	31.6	Very low	90 Å²	90	135.4 Å²	135.4	63%	0.629	76%	0.762	S	S	*	*				74.9	121.6	98.3	75.7	0	0	0	0	112.2
416	N	31.5	Very low	31	Very low	146 Å²	146	136 Å²	136	78%	0.781	76%	0.759	S	S	*	*			trans	154.1	136.7	155.4	-78.4	-6.1	0	0	0	106.4
417	L	29.6	Very low	30.7	Very low	125 Å²	125	139.5 Å²	139.5	65%	0.654	77%	0.765	S	S	*	*			cis	179.9	133.5	-4.8	-135.7	88.2	0	0	0	101.2
418	I	30.4	Very low	30.2	Very low	129 Å²	129	136.5 Å²	136.5	66%	0.662	76%	0.755	S	S	*	*				76.1	137	121	-71.8	-175.2	0	0	0	115.6
419	H	31.1	Very low	30	Very low	169 Å²	169	139.1 Å²	139.1	78%	0.782	76%	0.755	S	S	*	*			cis	-156.8	157.1	36	-133	-61.6	0	0	0	112.3
420	S	28.2	Very low	29.2	Very low	88 Å²	88	140.9 Å²	140.9	62%	0.615	76%	0.758	S	S	*	*			trans	-57.9	160	172.1	59.2	0	0	0	0	119.4
421	V	32.6	Very low	28.6	Very low	143 Å²	143	144.4 Å²	144.4	87%	0.867	76%	0.762	S	S	*	*				-158.5	118.1	126.7	-163.5	0	0	0	0	106.4
422	G	27	Very low	28.4	Very low	64 Å²	64	147 Å²	147	66%	0.66	77%	0.767	S	S	*	*				61.7	110.9	80.2	0	0	0	0	0	111.2
423	V	28.1	Very low	28.1	Very low	147 Å²	147	144.4 Å²	144.4	89%	0.891	76%	0.76	S	S	*	*				-162.4	133.4	80.3	167.9	0	0	0	0	109.1
424	E	23.9	Very low	27.4	Very low	183 Å²	183	144.5 Å²	144.5	86%	0.855	76%	0.763	S	S	*	*			trans	-108.3	128	174.9	179.4	173.5	-152.9	0	0	108
425	T	29.6	Very low	27.4	Very low	121 Å²	121	142.1 Å²	142.1	74%	0.742	76%	0.763	S	S	*	*			trans	-171.8	100.7	148.4	47.8	0	0	0	0	111
426	Q	22.8	Very low	27.2	Very low	181 Å²	181	146 Å²	146	85%	0.846	77%	0.771	S	S	*	*			trans	10.2	116	133.4	-171	169.9	-10.2	0	0	118.9
427	W	27.6	Very low	27	Very low	246 Å²	246	146.4 Å²	146.4	93%	0.932	77%	0.769	S	S	*	*			trans	-143.1	128.2	141.3	-76.7	93.7	0	0	0	110.3
428	D	23.3	Very low	26.9	Very low	120 Å²	120	149.9 Å²	149.9	64%	0.642	77%	0.774	S	S	*	*			trans	-79.6	137.7	-172.4	-165.1	0.4	0	0	0	111.5
429	Y	27.7	Very low	26.8	Very low	213 Å²	213	151.9 Å²	151.9	84%	0.835	79%	0.785	S	S	*	*			trans	-153.5	65.7	160.7	-96.4	-73.8	0	0	0	111.8	K431	Y429-K431 VanDerWaalsContact C-N 3.33Å; Y429-K431 PolarHBondContact O-N 3.35Å
430	N	23.7	Very low	26.7	Very low	157 Å²	157	149.8 Å²	149.8	84%	0.84	78%	0.779	S	S	*	*			trans	-74.3	84.3	147.8	-90.7	-30.6	0	0	0	109.7
431	K	23.9	Very low	26.7	Very low	181 Å²	181	151 Å²	151	79%	0.787	78%	0.779	S	S	*	*			trans	174.7	107.8	156.1	-114.5	174.6	175.6	174.5	0	109.1	Y429	Y429-K431 VanDerWaalsContact C-N 3.33Å; Y429-K431 PolarHBondContact O-N 3.35Å
432	I	26.7	Very low	26.7	Very low	159 Å²	159	149.9 Å²	149.9	82%	0.815	77%	0.774	S	S	*	*				-169.2	98.6	129.8	-85.4	146.4	0	0	0	105.5
433	S	26.8	Very low	26.9	Very low	95 Å²	95	153.7 Å²	153.7	66%	0.664	78%	0.78	S	S	*	*			trans	-0.8	131.6	148	49	0	0	0	0	118.5
434	S	23.8	Very low	27.2	Very low	97 Å²	97	154.2 Å²	154.2	68%	0.678	77%	0.773	S	S	*	*			trans	-18.1	146.8	141.9	59.5	0	0	0	0	115.2
435	P	28.1	Very low	27.7	Very low	130 Å²	130	149.2 Å²	149.2	84%	0.844	75%	0.751	S	S	*	*				-129.3	127.9	81.6	7.5	14.8	0	0	0	113.9
436	E	26	Very low	28.1	Very low	171 Å²	171	146.7 Å²	146.7	80%	0.799	74%	0.739	S	S	*	*			trans	-55.5	165.4	147.5	-67.9	171	128.3	0	0	110.9
437	E	26.6	Very low	28.8	Very low	156 Å²	156	143.4 Å²	143.4	73%	0.729	73%	0.73	S	S	*	*			trans	72.6	119.7	178.9	-58.6	176.9	133.5	0	0	112.9
438	Y	27.8	Very low	29.3	Very low	198 Å²	198	137.7 Å²	137.7	78%	0.776	72%	0.717	S	S	*	*				-153.6	89.4	54.7	-67.7	-92.9	0	0	0	110.1
439	L	27.5	Very low	30.2	Very low	170 Å²	170	136.8 Å²	136.8	89%	0.89	71%	0.71	S	S	*	*			trans	-94.6	90.3	152.8	-94.9	164.6	0	0	0	106.1	N441	L439-N441 PolarHBondContact O-N 2.89Å
440	L	29.7	Very low	30.7	Very low	126 Å²	126	133 Å²	133	66%	0.66	70%	0.697	S	S	*	*			trans	-60.8	106.2	172.6	-109.8	131.3	0	0	0	108.7
441	N	27.1	Very low	31.5	Very low	112 Å²	112	130.6 Å²	130.6	60%	0.599	68%	0.681	S	S	*	*			trans	-50.6	133.5	166.5	-145.4	-6.5	0	0	0	108.2	L439 N443 E444	L439-N441 PolarHBondContact O-N 2.89Å; N441-N443 PolarHBondContact O-N 3.18Å; N441-E444 PolarHBondContact O-N 3.13Å
442	P	32.9	Very low	32.2	Very low	120 Å²	120	128.6 Å²	128.6	78%	0.779	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	7.5	-176.5	-19.8	31.6	0	0	0	115.5
443	N	31.5	Very low	32.7	Very low	144 Å²	144	126.9 Å²	126.9	77%	0.77	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121	4.7	-170.2	-70.8	-14.4	0	0	0	114.8	N441	N441-N443 PolarHBondContact O-N 3.18Å
444	E	33.8	Very low	32.9	Very low	159 Å²	159	125.6 Å²	125.6	74%	0.743	66%	0.658	S	S	*	*			trans	-124.9	50.1	176.1	-68	-144.8	152.7	0	0	113.4	N441 S446	N441-E444 PolarHBondContact O-N 3.13Å; E444-S446 PolarHBondContact O-N 3.11Å
445	L	35.7	Very low	33.5	Very low	78 Å²	78	128.5 Å²	128.5	41%	0.408	66%	0.662	S	S	.	*			trans	-72.6	107.2	166.6	-157.6	76.8	0	0	0	108.4	Q449 K450	L445-Q449 HydrophobicContact CD2-CB 4.36Å; L445-Q449 HydrophobicContact CG-CB 4.15Å; L445-K450 HydrophobicContact CD2-CG 4.05Å
446	S	37.5	Very low	33.8	Very low	68 Å²	68	129.4 Å²	129.4	48%	0.476	66%	0.659	S	S	.	*			trans	-52.2	144	-177.9	63.7	0	0	0	0	112.3	E444 L448 Q449	E444-S446 PolarHBondContact O-N 3.11Å; S446-L448 PolarHBondContact O-N 3.45Å; S446-Q449 PolarHBondContact O-N 3.29Å
447	V	37.6	Very low	34.2	Very low	111 Å²	111	125.6 Å²	125.6	67%	0.673	65%	0.651	S	S	*	*	H	α-helix	trans	-49.6	-25.6	-175	174.1	0	0	0	0	113.5	Q451	V447-Q451 PolarHBondContact O-N 3.1Å; V447-Q451 VanDerWaalsContact O-N 3.17Å
448	L	37.8	Very low	34.3	Very low	126 Å²	126	125.8 Å²	125.8	66%	0.66	66%	0.657	S	S	*	*	H	α-helix	trans	-78.8	-29.6	179.7	-74.6	163.7	0	0	0	114.5	S446 Q452	S446-L448 PolarHBondContact O-N 3.45Å; L448-Q452 PolarHBondContact O-N 3.48Å
449	Q	42	Very low	34.4	Very low	102 Å²	102	119.4 Å²	119.4	48%	0.477	65%	0.652	S	S	.	*	H	α-helix	trans	-80.8	-25.4	175.5	-83.4	174.8	-31.5	0	0	112.4	L445 S446 L453	L445-Q449 HydrophobicContact CD2-CB 4.36Å; L445-Q449 HydrophobicContact CG-CB 4.15Å; S446-Q449 PolarHBondContact O-N 3.29Å; Q449-L453 WeakPolarHBondContact O-CD1 3.47Å; Q449-L453 PolarHBondContact O-N 3.39Å
450	K	39.1	Very low	34.5	Very low	133 Å²	133	116.6 Å²	116.6	58%	0.578	65%	0.647	S	S	*	*	H	α-helix	trans	-76.6	-30.1	168.9	-74.8	-179.5	177	170	0	112.5	L445 S454	L445-K450 HydrophobicContact CD2-CG 4.05Å; K450-S454 WeakPolarHBondContact O-CB 3.33Å; K450-S454 PolarHBondContact O-N 2.92Å; K450-S454 PolarHBondContact O-OG 3.02Å
451	Q	38.9	Very low	34.2	Very low	107 Å²	107	122.1 Å²	122.1	50%	0.5	66%	0.659	S	S	.	*	H	α-helix	trans	-73.2	-33.7	173.5	-96.4	170.2	-36.9	0	0	113.9	V447 S454 M455	V447-Q451 PolarHBondContact O-N 3.1Å; V447-Q451 VanDerWaalsContact O-N 3.17Å; Q451-S454 PolarHBondContact O-OG 2.94Å; Q451-M455 WeakPolarHBondContact O-CB 3.36Å; Q451-M455 WeakPolarHBondContact O-CG 3.3Å; Q451-M455 PolarHBondContact O-N 3.36Å
452	Q	39.6	Very low	34.2	Very low	138 Å²	138	124 Å²	124	65%	0.645	67%	0.667	S	S	*	*	H	α-helix	trans	-74.5	-26.4	173.2	-79.2	-177.9	-58	0	0	113.3	L448 L456	L448-Q452 PolarHBondContact O-N 3.48Å; Q452-L456 WeakPolarHBondContact O-CD1 3.39Å
453	L	36.4	Very low	33.9	Very low	123 Å²	123	123.4 Å²	123.4	64%	0.644	67%	0.666	S	S	*	*	H	α-helix	trans	-86.1	-24.2	176.3	-92.3	145.7	0	0	0	113.8	Q449	Q449-L453 WeakPolarHBondContact O-CD1 3.47Å; Q449-L453 PolarHBondContact O-N 3.39Å
454	S	32.3	Very low	33.6	Very low	69 Å²	69	127.1 Å²	127.1	48%	0.483	67%	0.671	S	S	.	*	H	α-helix	trans	-79.7	-26.3	170.2	65.4	0	0	0	0	113	K450 Q451 L456	K450-S454 WeakPolarHBondContact O-CB 3.33Å; K450-S454 PolarHBondContact O-N 2.92Å; K450-S454 PolarHBondContact O-OG 3.02Å; Q451-S454 PolarHBondContact O-OG 2.94Å; S454-L456 VanDerWaalsContact C-N 3.34Å
455	M	35.1	Very low	33.2	Very low	158 Å²	158	125.5 Å²	125.5	78%	0.778	68%	0.676	S	S	*	*	S	Bend	trans	-77.9	-17.2	175.3	-68.4	-94.5	-86.7	0	0	113.4	Q451	Q451-M455 WeakPolarHBondContact O-CB 3.36Å; Q451-M455 WeakPolarHBondContact O-CG 3.3Å; Q451-M455 PolarHBondContact O-N 3.36Å
456	L	35.2	Very low	32.9	Very low	148 Å²	148	128 Å²	128	78%	0.775	69%	0.694	S	S	*	*	S	Bend	trans	-101	-2.5	176.7	-73.7	166.7	0	0	0	113.3	Q452 S454	Q452-L456 WeakPolarHBondContact O-CD1 3.39Å; S454-L456 VanDerWaalsContact C-N 3.34Å
457	S	33.8	Very low	32.6	Very low	91 Å²	91	129.9 Å²	129.9	64%	0.636	71%	0.708	S	S	*	*	S	Bend	trans	-99	-7.2	178.8	-174.1	0	0	0	0	114.2
458	D	29.5	Very low	32.3	Very low	160 Å²	160	130.5 Å²	130.5	86%	0.856	71%	0.712	S	S	*	*	S	Bend	trans	-110.3	16.7	174.5	-92.6	-25.4	0	0	0	113.1
459	G	28.8	Very low	32	Very low	65 Å²	65	132.1 Å²	132.1	67%	0.67	72%	0.721	S	S	*	*			trans	-117.3	40.2	-173.6	0	0	0	0	0	114.7
460	S	29.3	Very low	31.4	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	73%	0.732	S	S	*	*			trans	-133.1	58.8	173.7	68.4	0	0	0	0	112.5
461	R	24.1	Very low	30.9	Very low	241 Å²	241	129.9 Å²	129.9	91%	0.909	74%	0.742	S	S	*	*			trans	-148.6	79.5	152.3	-77.4	-165.8	-167.3	179.2	4.6	109.5
462	I	27	Very low	30.4	Very low	151 Å²	151	133.6 Å²	133.6	77%	0.774	76%	0.76	S	S	*	*			trans	-125.7	79.3	155.7	-54.5	178.1	0	0	0	106
463	S	26	Very low	29.8	Very low	109 Å²	109	137.1 Å²	137.1	76%	0.762	77%	0.774	S	S	*	*			trans	-105.3	122.3	157.9	-73.4	0	0	0	0	106.8	C465	S463-C465 PolarHBondContact O-N 2.82Å
464	Y	26.1	Very low	29.5	Very low	221 Å²	221	136.6 Å²	136.6	87%	0.867	78%	0.78	S	S	*	*			trans	-56.2	106.6	170	-68.7	-94	0	0	0	109
465	C	25.7	Very low	29.3	Very low	125 Å²	125	138 Å²	138	85%	0.845	79%	0.79	S	S	*	*			trans	-104.4	96.4	165	-81.4	0	0	0	0	108.1	S463	S463-C465 PolarHBondContact O-N 2.82Å
466	T	29.1	Very low	29.1	Very low	130 Å²	130	139 Å²	139	80%	0.798	79%	0.793	S	S	*	*			trans	-78.7	133.2	150.2	46.7	0	0	0	0	108.1
467	S	31.5	Very low	28.9	Very low	108 Å²	108	140.4 Å²	140.4	76%	0.755	80%	0.795	S	S	*	*	S	Bend	trans	69.5	95.5	169.3	74.8	0	0	0	0	119.8
468	V	31.9	Very low	28.8	Very low	125 Å²	125	145.8 Å²	145.8	76%	0.758	80%	0.802	S	S	*	*				51.7	106.6	114.9	-174.1	0	0	0	0	118.2
469	N	31.4	Very low	29.1	Very low	160 Å²	160	143.8 Å²	143.8	86%	0.856	80%	0.798	S	S	*	*			trans	78.1	111.3	146	-60.5	-11.4	0	0	0	121.2
470	G	28.5	Very low	29.2	Very low	68 Å²	68	147.2 Å²	147.2	70%	0.701	80%	0.801	S	S	*	*				118.5	109	122.5	0	0	0	0	0	119.4
471	C	29	Very low	29.4	Very low	119 Å²	119	150.2 Å²	150.2	80%	0.804	80%	0.803	S	S	*	*			trans	68.8	151.8	141.2	-58.2	0	0	0	0	118.9
472	Q	28.7	Very low	29.8	Very low	186 Å²	186	143.4 Å²	143.4	87%	0.869	79%	0.785	S	S	*	*			cis	-168.6	150.5	-10.3	-115.4	174.6	-29.2	0	0	105.9
473	F	25.8	Very low	30	Very low	212 Å²	212	145.4 Å²	145.4	93%	0.93	78%	0.784	S	S	*	*			trans	-86.8	152.4	175.6	-120.6	-92.6	0	0	0	111.7
474	S	30.7	Very low	30.4	Very low	111 Å²	111	146.9 Å²	146.9	78%	0.776	78%	0.782	S	S	*	*			trans	-145.5	142.9	164	172.4	0	0	0	0	111
475	S	27.9	Very low	30.5	Very low	100 Å²	100	143.3 Å²	143.3	70%	0.699	77%	0.773	S	S	*	*			trans	-119.8	149.2	-161.9	53.9	0	0	0	0	112.9
476	H	32.2	Very low	30.8	Very low	179 Å²	179	145.3 Å²	145.3	83%	0.829	77%	0.77	S	S	*	*			trans	-153.9	146.8	157.8	-88.8	-72.7	0	0	0	108.1
477	H	30.9	Very low	30.8	Very low	176 Å²	176	147.5 Å²	147.5	82%	0.815	77%	0.769	S	S	*	*			cis	-167.8	136.5	-22	-148.4	39	0	0	0	104.9
478	Y	29.7	Very low	30.7	Very low	205 Å²	205	146.5 Å²	146.5	80%	0.804	76%	0.761	S	S	*	*			trans	-82.5	171	176.2	-96	-88.3	0	0	0	111.1
479	P	36.4	Very low	30.5	Very low	117 Å²	117	148.2 Å²	148.2	76%	0.76	77%	0.765	S	S	*	*				-155	136.6	79.9	31.4	-6.2	0	0	0	116.9
480	N	30.4	Very low	30.5	Very low	138 Å²	138	145.1 Å²	145.1	74%	0.738	75%	0.753	S	S	*	*				85.3	130.1	84.9	-89	-20.9	0	0	0	117.7
481	Q	34.4	Very low	30.3	Very low	173 Å²	173	154.5 Å²	154.5	81%	0.808	77%	0.768	S	S	*	*				157.3	137.9	128.6	-85	-170.3	-13.1	0	0	109.3
482	N	31.7	Very low	30.2	Very low	99 Å²	99	151.9 Å²	151.9	53%	0.529	76%	0.761	S	S	.	*			cis	-178.4	140.5	-5.4	-108.6	-4.2	0	0	0	109.3
483	Y	32.1	Very low	30.2	Very low	192 Å²	192	148.9 Å²	148.9	75%	0.753	75%	0.751	S	S	*	*			trans	62.6	138.9	137.5	-68.5	-55.1	0	0	0	121.6
484	L	33.7	Very low	30.3	Very low	140 Å²	140	148.7 Å²	148.7	73%	0.733	75%	0.745	S	S	*	*			cis	-155	140.3	10.3	-82.1	129.6	0	0	0	107.8
485	Q	28.7	Very low	30.3	Very low	146 Å²	146	147.7 Å²	147.7	68%	0.682	74%	0.744	S	S	*	*				90.1	108.3	55.8	-143.5	-175.6	21.8	0	0	114.9
486	H	31.8	Very low	30.3	Very low	168 Å²	168	152 Å²	152	78%	0.778	76%	0.755	S	S	*	*			trans	173.3	103.2	132	-110.1	-94.5	0	0	0	109.6
487	K	29.1	Very low	30.1	Very low	176 Å²	176	151 Å²	151	77%	0.765	76%	0.756	S	S	*	*				50.7	133	87.5	-92.5	-174.7	167.9	178.2	0	114.1
488	S	29.1	Very low	30	Very low	86 Å²	86	151.6 Å²	151.6	60%	0.601	76%	0.759	S	S	*	*			cis	172.7	163	-4.7	48.9	0	0	0	0	109
489	I	29.3	Very low	29.9	Very low	162 Å²	162	146.4 Å²	146.4	83%	0.831	75%	0.753	S	S	*	*			trans	108.2	141.7	146	-68.8	157.6	0	0	0	119.6
490	P	30	Very low	29.6	Very low	95 Å²	95	146.8 Å²	146.8	62%	0.617	75%	0.749	S	S	*	*			trans	-126.6	168.2	-139	27.5	-4.9	0	0	0	118
491	W	24.1	Very low	29.7	Very low	264 Å²	264	149.3 Å²	149.3	100%	1	76%	0.756	S	S	*	*			trans	58.5	133.3	142.4	-67.8	42.6	0	0	0	121.3
492	G	26.9	Very low	29.9	Very low	64 Å²	64	143.4 Å²	143.4	66%	0.66	73%	0.734	S	S	*	*			trans	150	124.2	152	0	0	0	0	0	113.6
493	D	29.3	Very low	30.2	Very low	124 Å²	124	140.1 Å²	140.1	66%	0.663	72%	0.723	S	S	*	*			trans	97	112.4	132	-78.7	10.5	0	0	0	122
494	Y	28	Very low	30.6	Very low	207 Å²	207	136.2 Å²	136.2	81%	0.812	72%	0.72	S	S	*	*			trans	68.4	154.1	150	-48.7	-61.4	0	0	0	117.6
495	A	31.7	Very low	31	Very low	90 Å²	90	132.5 Å²	132.5	74%	0.744	71%	0.709	S	S	*	*			cis	-172.3	156.1	-18.2	0	0	0	0	0	103.5	N497	A495-N497 PolarHBondContact O-N 2.82Å
496	M	26.7	Very low	31.8	Very low	190 Å²	190	132 Å²	132	94%	0.936	71%	0.705	S	S	*	*			trans	-48.5	123.3	170.2	-99.7	173.1	136.5	0	0	111.1
497	N	28.5	Very low	32.7	Very low	159 Å²	159	129.2 Å²	129.2	85%	0.85	69%	0.694	S	S	*	*			trans	-155.9	129.1	141.4	-111.6	-15.1	0	0	0	112.6	A495 S499	A495-N497 PolarHBondContact O-N 2.82Å; N497-S499 PolarHBondContact O-N 2.9Å
498	Q	28.3	Very low	33.8	Very low	189 Å²	189	126.7 Å²	126.7	88%	0.883	69%	0.685	S	S	*	*			trans	-55.3	115.5	168.7	-72.2	166.3	-19.1	0	0	110.2
499	S	28	Very low	35.3	Very low	96 Å²	96	126.1 Å²	126.1	67%	0.671	68%	0.675	S	S	*	*			trans	171.2	109.3	145.9	53.3	0	0	0	0	107.7	N497	N497-S499 PolarHBondContact O-N 2.9Å
500	N	30.2	Very low	36.8	Very low	125 Å²	125	125.7 Å²	125.7	67%	0.668	67%	0.667	S	S	*	*			trans	168.8	64.7	135.5	-84.8	-34	0	0	0	111.2	S502 G503	N500-S502 PolarHBondContact O-N 3.42Å; N500-G503 PolarHBondContact O-N 2.82Å
501	E	33.2	Very low	38.1	Very low	190 Å²	190	127 Å²	127	89%	0.888	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	1.4	154.2	-82.3	-176.4	141.6	0	0	113
502	S	37.2	Very low	39.9	Very low	49 Å²	49	118.1 Å²	118.1	34%	0.343	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.5	-5.7	174.6	84.7	0	0	0	0	114.7	N500 K506	N500-S502 PolarHBondContact O-N 3.42Å; S502-K506 WeakPolarHBondContact O-CB 3.39Å; S502-K506 VanDerWaalsContact O-CD 3.24Å; S502-K506 WeakPolarHBondContact O-CD 3.27Å; S502-K506 WeakPolarHBondContact O-CG 3.42Å; S502-K506 PolarHBondContact O-N 3.24Å
503	G	38.4	Very low	41.7	Very low	30 Å²	30	120.8 Å²	120.8	31%	0.309	63%	0.632	S	S	.	*	H	α-helix	trans	-88.1	-47.2	-173.4	0	0	0	0	0	115	N500 K506 I507	N500-G503 PolarHBondContact O-N 2.82Å; G503-K506 PolarHBondContact O-N 3.12Å; G503-I507 VanDerWaalsContact O-CG1 3.3Å; G503-I507 WeakPolarHBondContact O-CG1 3.5Å; G503-I507 PolarHBondContact O-N 2.78Å
504	T	39.5	Very low	43.1	Very low	111 Å²	111	122.4 Å²	122.4	68%	0.681	63%	0.633	S	S	*	*	H	α-helix	trans	-73	-35.1	179.4	43.1	0	0	0	0	111.8	I507 H508	T504-I507 PolarHBondContact O-N 3.22Å; T504-H508 WeakPolarHBondContact O-CB 3.43Å; T504-H508 PolarHBondContact O-N 2.82Å
505	A	42.7	Very low	44.3	Very low	61 Å²	61	120 Å²	120	50%	0.504	63%	0.627	S	S	.	*	H	α-helix	trans	-66.7	-38	169.6	0	0	0	0	0	112.6	H508 D509	A505-H508 PolarHBondContact O-N 3.01Å; A505-D509 VanDerWaalsContact O-CB 3.28Å; A505-D509 WeakPolarHBondContact O-CB 3.38Å; A505-D509 PolarHBondContact O-N 2.87Å
506	K	46.4	Very low	45.6	Very low	137 Å²	137	122 Å²	122	60%	0.596	62%	0.619	S	S	*	*	H	α-helix	trans	-69	-30.7	174.5	-84.8	175.3	-174.7	164.9	0	113.1	S502 G503 K510	S502-K506 WeakPolarHBondContact O-CB 3.39Å; S502-K506 VanDerWaalsContact O-CD 3.24Å; S502-K506 WeakPolarHBondContact O-CD 3.27Å; S502-K506 WeakPolarHBondContact O-CG 3.42Å; S502-K506 PolarHBondContact O-N 3.24Å; G503-K506 PolarHBondContact O-N 3.12Å; K506-K510 VanDerWaalsContact O-CB 3.24Å; K506-K510 WeakPolarHBondContact O-CB 3.5Å; K506-K510 PolarHBondContact O-N 2.82Å
507	I	50.4	Low	46.9	Very low	108 Å²	108	119.4 Å²	119.4	55%	0.554	60%	0.604	S	S	*	*	H	α-helix	trans	-73.5	-41.8	174.4	-67.3	165	0	0	0	110.2	G503 T504 K510 M511	G503-I507 VanDerWaalsContact O-CG1 3.3Å; G503-I507 WeakPolarHBondContact O-CG1 3.5Å; G503-I507 PolarHBondContact O-N 2.78Å; T504-I507 PolarHBondContact O-N 3.22Å; I507-K510 PolarHBondContact O-N 2.7Å; I507-M511 WeakPolarHBondContact O-CB 3.32Å; I507-M511 VanDerWaalsContact O-CG 3.3Å; I507-M511 WeakPolarHBondContact O-CG 3.18Å; I507-M511 PolarHBondContact O-N 2.81Å
508	H	51.7	Low	47.8	Very low	124 Å²	124	115.5 Å²	115.5	57%	0.574	59%	0.59	S	S	*	*	H	α-helix	trans	-65.5	-40.3	174.7	-161	-97.8	0	0	0	111.8	T504 A505 M511 L512	T504-H508 WeakPolarHBondContact O-CB 3.43Å; T504-H508 PolarHBondContact O-N 2.82Å; A505-H508 PolarHBondContact O-N 3.01Å; H508-M511 PolarHBondContact O-N 2.84Å; H508-L512 WeakPolarHBondContact O-CB 3.45Å; H508-L512 PolarHBondContact O-N 2.8Å
509	D	61.2	Low	48.5	Very low	74 Å²	74	114.7 Å²	114.7	40%	0.396	58%	0.583	S	S	.	*	H	α-helix	trans	-72.6	-34	175.7	-164.7	50	0	0	0	112.7	A505 L512 K513	A505-D509 VanDerWaalsContact O-CB 3.28Å; A505-D509 WeakPolarHBondContact O-CB 3.38Å; A505-D509 PolarHBondContact O-N 2.87Å; D509-L512 PolarHBondContact O-N 2.92Å; D509-K513 VanDerWaalsContact O-CB 3.29Å; D509-K513 WeakPolarHBondContact O-CB 3.24Å; D509-K513 WeakPolarHBondContact O-CG 3.41Å; D509-K513 PolarHBondContact O-N 2.52Å; D509-K513 WeakPolarHBondContact OD2-CE 3.35Å; D509-K513 IonicContact OD2-NZ 2.77Å; D509-K513 PolarHBondContact OD2-NZ 2.92Å
510	K	61.1	Low	49.4	Very low	152 Å²	152	117.5 Å²	117.5	66%	0.661	59%	0.586	S	S	*	*	H	α-helix	trans	-65.1	-38.4	168.9	-102.5	-179.8	172.7	175.1	0	111.8	K506 I507 K514	K506-K510 VanDerWaalsContact O-CB 3.24Å; K506-K510 WeakPolarHBondContact O-CB 3.5Å; K506-K510 PolarHBondContact O-N 2.82Å; I507-K510 PolarHBondContact O-N 2.7Å; K510-K514 WeakPolarHBondContact O-CB 3.4Å; K510-K514 WeakPolarHBondContact O-CG 3.4Å; K510-K514 PolarHBondContact O-N 2.97Å
511	M	55.7	Low	49.9	Very low	122 Å²	122	119.8 Å²	119.8	60%	0.601	59%	0.592	S	S	*	*	H	α-helix	trans	-68.5	-41.1	175.4	-74.6	-126.4	-95.7	0	0	111.3	I507 H508 K514 F515	I507-M511 WeakPolarHBondContact O-CB 3.32Å; I507-M511 VanDerWaalsContact O-CG 3.3Å; I507-M511 WeakPolarHBondContact O-CG 3.18Å; I507-M511 PolarHBondContact O-N 2.81Å; H508-M511 PolarHBondContact O-N 2.84Å; M511-K514 PolarHBondContact O-N 2.88Å; M511-F515 WeakPolarHBondContact O-CB 3.45Å; M511-F515 PolarHBondContact O-N 3.07Å
512	L	62.2	Low	50.2	Low	78 Å²	78	115.4 Å²	115.4	41%	0.408	58%	0.582	S	S	.	*	H	α-helix	trans	-66.8	-37.5	173.9	-105.7	140.9	0	0	0	113.1	H508 D509 F515 K516	H508-L512 WeakPolarHBondContact O-CB 3.45Å; H508-L512 PolarHBondContact O-N 2.8Å; D509-L512 PolarHBondContact O-N 2.92Å; L512-F515 PolarHBondContact O-N 2.8Å; L512-K516 WeakPolarHBondContact O-CB 3.28Å; L512-K516 WeakPolarHBondContact O-CG 3.15Å; L512-K516 PolarHBondContact O-N 3.26Å
513	K	65	Low	50.2	Low	121 Å²	121	124.2 Å²	124.2	53%	0.526	61%	0.608	S	S	.	*	H	α-helix	trans	-69.3	-38.9	173.5	-81.9	172.7	175.3	147	0	112.3	D509 K516 Q517	D509-K513 VanDerWaalsContact O-CB 3.29Å; D509-K513 WeakPolarHBondContact O-CB 3.24Å; D509-K513 WeakPolarHBondContact O-CG 3.41Å; D509-K513 PolarHBondContact O-N 2.52Å; D509-K513 WeakPolarHBondContact OD2-CE 3.35Å; D509-K513 IonicContact OD2-NZ 2.77Å; D509-K513 PolarHBondContact OD2-NZ 2.92Å; K513-K516 PolarHBondContact O-N 3.07Å; K513-Q517 WeakPolarHBondContact O-CB 3.42Å; K513-Q517 PolarHBondContact O-N 3.49Å
514	K	59.4	Low	50	Low	157 Å²	157	126.4 Å²	126.4	68%	0.683	63%	0.631	S	S	*	*	H	α-helix	trans	-64.9	-38.5	170.6	-81	-171.3	173.2	-172.2	0	112	K510 M511 S518	K510-K514 WeakPolarHBondContact O-CB 3.4Å; K510-K514 WeakPolarHBondContact O-CG 3.4Å; K510-K514 PolarHBondContact O-N 2.97Å; M511-K514 PolarHBondContact O-N 2.88Å; K514-S518 WeakPolarHBondContact O-CB 3.16Å; K514-S518 PolarHBondContact O-N 3.04Å
515	F	53.1	Low	49.9	Very low	156 Å²	156	124.9 Å²	124.9	68%	0.684	63%	0.625	S	S	*	*	H	α-helix	trans	-70	-31	174.5	-113.9	-86.8	0	0	0	113.3	M511 L512 S518 K519	M511-F515 WeakPolarHBondContact O-CB 3.45Å; M511-F515 PolarHBondContact O-N 3.07Å; L512-F515 PolarHBondContact O-N 2.8Å; F515-S518 PolarHBondContact O-OG 2.83Å; F515-S518 VanDerWaalsContact O-OG 3.14Å; F515-K519 WeakPolarHBondContact O-CB 3.4Å; F515-K519 PolarHBondContact O-N 3.48Å
516	K	59.5	Low	49.5	Very low	134 Å²	134	129.4 Å²	129.4	58%	0.583	65%	0.646	S	S	*	*	H	α-helix	trans	-79.3	-38.7	174.5	-79.8	-176.5	176.8	-179.6	0	112.3	L512 K513 S518 K519 Q520	L512-K516 WeakPolarHBondContact O-CB 3.28Å; L512-K516 WeakPolarHBondContact O-CG 3.15Å; L512-K516 PolarHBondContact O-N 3.26Å; K513-K516 PolarHBondContact O-N 3.07Å; K516-S518 VanDerWaalsContact C-N 3.33Å; K516-K519 PolarHBondContact O-N 3.11Å; K516-K519 VanDerWaalsContact O-N 3.09Å; K516-Q520 PolarHBondContact O-N 2.89Å
517	Q	53.6	Low	49.2	Very low	135 Å²	135	129 Å²	129	63%	0.631	65%	0.65	S	S	*	*	H	α-helix	trans	-63.7	-37.6	171.5	-86.6	177.1	-28.4	0	0	111.8	K513 K519 Q520 Q521	K513-Q517 WeakPolarHBondContact O-CB 3.42Å; K513-Q517 PolarHBondContact O-N 3.49Å; Q517-K519 PolarHBondContact O-N 2.9Å; Q517-Q520 PolarHBondContact O-N 3.33Å; Q517-Q521 PolarHBondContact O-N 3.08Å
518	S	46.2	Very low	48.3	Very low	77 Å²	77	133.8 Å²	133.8	54%	0.538	67%	0.666	S	S	.	*	H	α-helix	trans	-69.9	-20.2	173.1	82.6	0	0	0	0	113.4	K514 F515 K516	K514-S518 WeakPolarHBondContact O-CB 3.16Å; K514-S518 PolarHBondContact O-N 3.04Å; F515-S518 PolarHBondContact O-OG 2.83Å; F515-S518 VanDerWaalsContact O-OG 3.14Å; K516-S518 VanDerWaalsContact C-N 3.33Å
519	K	42.7	Very low	47.8	Very low	171 Å²	171	134.4 Å²	134.4	74%	0.743	67%	0.673	S	S	*	*	H	α-helix	trans	-88.7	-21.2	177.3	-132	175.7	-177.1	179.5	0	113.7	F515 K516 Q517	F515-K519 WeakPolarHBondContact O-CB 3.4Å; F515-K519 PolarHBondContact O-N 3.48Å; K516-K519 PolarHBondContact O-N 3.11Å; K516-K519 VanDerWaalsContact O-N 3.09Å; Q517-K519 PolarHBondContact O-N 2.9Å
520	Q	48	Very low	46.7	Very low	156 Å²	156	140 Å²	140	73%	0.729	70%	0.697	S	S	*	*	H	α-helix	trans	-96.8	-23.6	-179.9	-117.6	158.1	-35.8	0	0	113.5	K516 Q517 S522	K516-Q520 PolarHBondContact O-N 2.89Å; Q517-Q520 PolarHBondContact O-N 3.33Å; Q520-S522 PolarHBondContact O-N 3.17Å
521	Q	40.6	Very low	46.3	Very low	173 Å²	173	140.4 Å²	140.4	81%	0.808	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	6.7	174	-155.8	153.9	-3.3	0	0	113.8	Q517	Q517-Q521 PolarHBondContact O-N 3.08Å
522	S	39.8	Very low	46.3	Very low	97 Å²	97	139.9 Å²	139.9	68%	0.678	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	4.6	177.1	-176.7	0	0	0	0	113.6	Q520	Q520-S522 PolarHBondContact O-N 3.17Å
523	R	37.1	Very low	46.1	Very low	234 Å²	234	142.1 Å²	142.1	88%	0.883	71%	0.71	S	S	*	*	S	Bend	trans	-110.3	89.9	174	-90.5	-179.2	155.9	174.4	-6.5	109.1
524	G	34.8	Very low	46.3	Very low	77 Å²	77	138 Å²	138	79%	0.794	70%	0.703	S	S	*	*	S	Bend	trans	128.9	49.4	171.4	0	0	0	0	0	115.8
525	S	37.6	Very low	47	Very low	78 Å²	78	135.5 Å²	135.5	55%	0.545	70%	0.697	S	S	.	*			trans	-164.2	112.1	155.3	58.2	0	0	0	0	108.9	I527	S525-I527 VanDerWaalsContact C-N 3.28Å; S525-I527 PolarHBondContact O-N 3.36Å
526	T	32.6	Very low	47.8	Very low	156 Å²	156	133.8 Å²	133.8	96%	0.957	69%	0.694	S	S	*	*			trans	-57.1	89.1	159.9	29.2	0	0	0	0	109.1
527	I	40.4	Very low	48.3	Very low	130 Å²	130	130.4 Å²	130.4	67%	0.667	69%	0.686	S	S	*	*			trans	-136	120.9	172.4	-60.7	177.5	0	0	0	107.9	S525 L529	S525-I527 VanDerWaalsContact C-N 3.28Å; S525-I527 PolarHBondContact O-N 3.36Å; I527-L529 PolarHBondContact O-N 3.17Å
528	K	32.5	Very low	49.4	Very low	208 Å²	208	128.2 Å²	128.2	90%	0.904	68%	0.679	S	S	*	*			trans	-28.3	103.7	171.9	-72.9	171.5	171.8	177.4	0	112.5
529	L	39.6	Very low	50.7	Low	137 Å²	137	127.6 Å²	127.6	72%	0.717	68%	0.678	S	S	*	*			trans	-114.2	76.4	166.8	-148.3	94.9	0	0	0	107.3	I527 F531	I527-L529 PolarHBondContact O-N 3.17Å; L529-F531 HydrophobicContact CD1-CD2 4.3Å; L529-F531 HydrophobicContact CD2-CB 4.13Å; L529-F531 HydrophobicContact CD2-CD2 3.24Å; L529-F531 HydrophobicContact CD2-CE2 3.82Å; L529-F531 HydrophobicContact CD2-CG 3.96Å; L529-F531 HydrophobicContact CG-CD2 3.61Å; L529-F531 HydrophobicContact CG-CE2 4.27Å; L529-F531 PolarHBondContact O-N 3.07Å
530	E	38.3	Very low	52.4	Low	192 Å²	192	124.4 Å²	124.4	90%	0.897	67%	0.669	S	S	*	*			trans	-67.2	73.4	158	-77.6	-172.6	157.6	0	0	107.4	N532	E530-N532 PolarHBondContact O-N 2.89Å
531	F	53.9	Low	53.8	Low	159 Å²	159	121.9 Å²	121.9	70%	0.697	66%	0.655	S	S	*	*			trans	-72.8	106.8	166.2	-123.7	-106.4	0	0	0	106	L529 L533	L529-F531 HydrophobicContact CD1-CD2 4.3Å; L529-F531 HydrophobicContact CD2-CB 4.13Å; L529-F531 HydrophobicContact CD2-CD2 3.24Å; L529-F531 HydrophobicContact CD2-CE2 3.82Å; L529-F531 HydrophobicContact CD2-CG 3.96Å; L529-F531 HydrophobicContact CG-CD2 3.61Å; L529-F531 HydrophobicContact CG-CE2 4.27Å; L529-F531 PolarHBondContact O-N 3.07Å; F531-L533 PolarHBondContact O-N 3.18Å
532	N	55.2	Low	55.7	Low	111 Å²	111	119.3 Å²	119.3	59%	0.594	64%	0.644	S	S	*	*			trans	-59.3	107.4	176.9	-106	-34.5	0	0	0	108.2	E530 G534 D535	E530-N532 PolarHBondContact O-N 2.89Å; N532-G534 PolarHBondContact O-N 2.9Å; N532-D535 PolarHBondContact O-N 3.3Å
533	L	58.9	Low	57.6	Low	126 Å²	126	119.9 Å²	119.9	66%	0.66	64%	0.638	S	S	*	*	H	α-helix	trans	-47.3	-23.5	166.9	-162	82.7	0	0	0	111.2	F531 C537	F531-L533 PolarHBondContact O-N 3.18Å; L533-C537 WeakPolarHBondContact O-CB 3.25Å; L533-C537 PolarHBondContact O-N 2.87Å
534	G	69.4	Low	59.5	Low	35 Å²	35	112.1 Å²	112.1	36%	0.361	61%	0.613	S	S	.	*	H	α-helix	trans	-60.5	-41.2	170.9	0	0	0	0	0	115.4	N532 C537 N538	N532-G534 PolarHBondContact O-N 2.9Å; G534-C537 WeakPolarHBondContact O-CB 3.44Å; G534-C537 PolarHBondContact O-N 2.89Å; G534-N538 WeakPolarHBondContact O-CB 3.44Å; G534-N538 PolarHBondContact O-N 2.86Å; G534-N538 PolarHBondContact O-ND2 2.87Å
535	D	72.2	Confident	61.7	Low	104 Å²	104	113.7 Å²	113.7	56%	0.556	60%	0.603	S	S	*	*	H	α-helix	trans	-74.1	-38.6	-174.9	-68.8	-30	0	0	0	112.3	N532 C537 N538 A539	N532-D535 PolarHBondContact O-N 3.3Å; D535-C537 VanDerWaalsContact C-N 3.32Å; D535-N538 PolarHBondContact O-N 3.12Å; D535-A539 PolarHBondContact O-N 3.09Å
536	L	70.1	Confident	63.7	Low	119 Å²	119	117.4 Å²	117.4	62%	0.623	61%	0.609	S	S	*	*	H	α-helix	trans	-63.2	-41.8	172.3	-164.5	87.5	0	0	0	110.9	N538 A539 L540	L536-N538 VanDerWaalsContact C-N 3.31Å; L536-N538 PolarHBondContact O-N 3.18Å; L536-A539 PolarHBondContact O-N 3.11Å; L536-L540 WeakPolarHBondContact O-CB 3.44Å; L536-L540 PolarHBondContact O-N 3.26Å
537	C	71.9	Confident	65.9	Low	63 Å²	63	114.2 Å²	114.2	43%	0.426	59%	0.585	S	S	.	*	H	α-helix	trans	-63.1	-39	176.1	-165.5	0	0	0	0	111.3	L533 G534 D535 K541	L533-C537 WeakPolarHBondContact O-CB 3.25Å; L533-C537 PolarHBondContact O-N 2.87Å; G534-C537 WeakPolarHBondContact O-CB 3.44Å; G534-C537 PolarHBondContact O-N 2.89Å; D535-C537 VanDerWaalsContact C-N 3.32Å; C537-K541 WeakPolarHBondContact O-CB 3.32Å; C537-K541 VanDerWaalsContact O-CG 3.25Å; C537-K541 WeakPolarHBondContact O-CG 3.43Å; C537-K541 PolarHBondContact O-N 3.39Å
538	N	74.9	Confident	67.8	Low	90 Å²	90	110.2 Å²	110.2	48%	0.481	57%	0.571	S	S	.	*	H	α-helix	trans	-67.5	-41.6	176.4	-72.3	-21.4	0	0	0	112.7	G534 D535 L536 K541 Q542	G534-N538 WeakPolarHBondContact O-CB 3.44Å; G534-N538 PolarHBondContact O-N 2.86Å; G534-N538 PolarHBondContact O-ND2 2.87Å; D535-N538 PolarHBondContact O-N 3.12Å; L536-N538 VanDerWaalsContact C-N 3.31Å; L536-N538 PolarHBondContact O-N 3.18Å; N538-K541 PolarHBondContact O-N 3.47Å; N538-Q542 WeakPolarHBondContact O-CG 3.5Å; N538-Q542 PolarHBondContact O-N 2.78Å
539	A	74.3	Confident	69.9	Low	63 Å²	63	107 Å²	107	52%	0.521	56%	0.557	S	S	.	*	H	α-helix	trans	-65	-41.5	176.5	0	0	0	0	0	112.3	D535 L536 Q542 L543	D535-A539 PolarHBondContact O-N 3.09Å; L536-A539 PolarHBondContact O-N 3.11Å; A539-Q542 PolarHBondContact O-N 2.97Å; A539-L543 PolarHBondContact O-N 3.31Å
540	L	77.7	Confident	71.7	Confident	105 Å²	105	107.5 Å²	107.5	55%	0.55	55%	0.554	S	S	.	*	H	α-helix	trans	-66.7	-39.8	177.7	-152.3	152	0	0	0	110.9	L536 Q542 L543 M544	L536-L540 WeakPolarHBondContact O-CB 3.44Å; L536-L540 PolarHBondContact O-N 3.26Å; L540-Q542 PolarHBondContact O-N 3.33Å; L540-L543 PolarHBondContact O-N 3.06Å; L540-M544 HydrophobicContact CD2-CG 3.87Å; L540-M544 WeakPolarHBondContact O-CB 3.5Å; L540-M544 WeakPolarHBondContact O-CG 3.36Å; L540-M544 PolarHBondContact O-N 2.8Å
541	K	78.3	Confident	73.6	Confident	102 Å²	102	101.6 Å²	101.6	44%	0.443	53%	0.528	S	S	.	.	H	α-helix	trans	-58.1	-45	170.2	-78.5	175.9	179.4	-176.7	0	112.5	C537 N538 L543 M544 L545	C537-K541 WeakPolarHBondContact O-CB 3.32Å; C537-K541 VanDerWaalsContact O-CG 3.25Å; C537-K541 WeakPolarHBondContact O-CG 3.43Å; C537-K541 PolarHBondContact O-N 3.39Å; N538-K541 PolarHBondContact O-N 3.47Å; K541-L543 PolarHBondContact O-N 2.73Å; K541-M544 PolarHBondContact O-N 2.94Å; K541-L545 WeakPolarHBondContact O-CB 3.43Å; K541-L545 VanDerWaalsContact O-CG 3.22Å; K541-L545 WeakPolarHBondContact O-CG 3.46Å; K541-L545 PolarHBondContact O-N 2.81Å
542	Q	80.5	Confident	74.6	Confident	120 Å²	120	99.4 Å²	99.4	56%	0.561	52%	0.52	S	S	*	.	H	α-helix	trans	-63.8	-39.2	178.7	-74	-69.3	-22	0	0	112.7	N538 A539 L540 K546	N538-Q542 WeakPolarHBondContact O-CG 3.5Å; N538-Q542 PolarHBondContact O-N 2.78Å; A539-Q542 PolarHBondContact O-N 2.97Å; L540-Q542 PolarHBondContact O-N 3.33Å; Q542-K546 PolarHBondContact O-N 2.94Å
543	L	79.2	Confident	75.4	Confident	108 Å²	108	98.4 Å²	98.4	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-70.8	-42.2	178.8	-158.2	147.2	0	0	0	111.4	A539 L540 K541 L545 K546 I547	A539-L543 PolarHBondContact O-N 3.31Å; L540-L543 PolarHBondContact O-N 3.06Å; K541-L543 PolarHBondContact O-N 2.73Å; L543-L545 VanDerWaalsContact C-N 3.35Å; L543-L545 PolarHBondContact O-N 3Å; L543-K546 PolarHBondContact O-N 2.89Å; L543-I547 HydrophobicContact CD2-CD1 3.51Å; L543-I547 HydrophobicContact CD2-CG1 4.18Å; L543-I547 WeakPolarHBondContact O-CG1 3.42Å; L543-I547 PolarHBondContact O-N 2.81Å
544	M	77.2	Confident	76.2	Confident	72 Å²	72	94.1 Å²	94.1	36%	0.355	50%	0.496	S	S	.	.	H	α-helix	trans	-59.3	-43.3	172.5	-70.9	-93.1	-73.2	0	0	112	L377 L540 K541 K546 I547 A548	L377-M544 HydrophobicContact CD1-CE 3.54Å; L377-M544 HydrophobicContact CD2-CE 3.18Å; L377-M544 HydrophobicContact CG-CE 3.89Å; L540-M544 HydrophobicContact CD2-CG 3.87Å; L540-M544 WeakPolarHBondContact O-CB 3.5Å; L540-M544 WeakPolarHBondContact O-CG 3.36Å; L540-M544 PolarHBondContact O-N 2.8Å; K541-M544 PolarHBondContact O-N 2.94Å; M544-K546 VanDerWaalsContact C-N 3.34Å; M544-K546 PolarHBondContact O-N 3.39Å; M544-I547 PolarHBondContact O-N 3.08Å; M544-A548 VanDerWaalsContact O-CB 3.29Å; M544-A548 WeakPolarHBondContact O-CB 3.39Å; M544-A548 PolarHBondContact O-N 3.39Å
545	L	81.2	Confident	76.5	Confident	110 Å²	110	95.1 Å²	95.1	58%	0.576	49%	0.492	S	S	*	.	H	α-helix	trans	-64.1	-37.3	175.6	-73.7	170	0	0	0	112.2	K541 L543 K549	K541-L545 WeakPolarHBondContact O-CB 3.43Å; K541-L545 VanDerWaalsContact O-CG 3.22Å; K541-L545 WeakPolarHBondContact O-CG 3.46Å; K541-L545 PolarHBondContact O-N 2.81Å; L543-L545 VanDerWaalsContact C-N 3.35Å; L543-L545 PolarHBondContact O-N 3Å; L545-K549 VanDerWaalsContact O-CB 3.26Å; L545-K549 WeakPolarHBondContact O-CB 3.25Å; L545-K549 PolarHBondContact O-N 2.79Å
546	K	78.9	Confident	76.4	Confident	156 Å²	156	93.1 Å²	93.1	68%	0.678	48%	0.477	S	S	*	.	H	α-helix	trans	-66.8	-42.3	174.2	-80.4	-177	179.3	179.4	0	112.3	Q542 L543 M544 K550	Q542-K546 PolarHBondContact O-N 2.94Å; L543-K546 PolarHBondContact O-N 2.89Å; M544-K546 VanDerWaalsContact C-N 3.34Å; M544-K546 PolarHBondContact O-N 3.39Å; K546-K550 WeakPolarHBondContact O-CB 3.42Å; K546-K550 PolarHBondContact O-N 2.97Å
547	I	80	Confident	76.5	Confident	88 Å²	88	89.7 Å²	89.7	45%	0.451	46%	0.459	S	S	.	.	H	α-helix	trans	-64.2	-50.4	176	-68.4	174.4	0	0	0	109.9	L543 M544 K549 K550 D551	L543-I547 HydrophobicContact CD2-CD1 3.51Å; L543-I547 HydrophobicContact CD2-CG1 4.18Å; L543-I547 WeakPolarHBondContact O-CG1 3.42Å; L543-I547 PolarHBondContact O-N 2.81Å; M544-I547 PolarHBondContact O-N 3.08Å; I547-K549 VanDerWaalsContact C-N 3.32Å; I547-K549 PolarHBondContact O-N 3.02Å; I547-K550 WeakPolarHBondContact O-CB 3.29Å; I547-K550 PolarHBondContact O-N 3.42Å; I547-D551 PolarHBondContact O-N 3.47Å
548	A	79	Confident	76.5	Confident	46 Å²	46	92.8 Å²	92.8	38%	0.38	46%	0.461	S	S	.	.	H	α-helix	trans	-56.2	-44.4	177.9	0	0	0	0	0	112	M544 K550 D551 E552	M544-A548 VanDerWaalsContact O-CB 3.29Å; M544-A548 WeakPolarHBondContact O-CB 3.39Å; M544-A548 PolarHBondContact O-N 3.39Å; A548-K550 PolarHBondContact O-N 2.91Å; A548-D551 PolarHBondContact O-N 3.09Å; A548-E552 WeakPolarHBondContact O-CB 3.45Å; A548-E552 WeakPolarHBondContact O-CG 3.44Å; A548-E552 PolarHBondContact O-N 3.47Å
549	K	77.9	Confident	76.5	Confident	141 Å²	141	90.1 Å²	90.1	61%	0.613	45%	0.446	S	S	*	.	H	α-helix	trans	-64.9	-37.3	176.6	-173	175.2	-178.1	177.1	0	112.8	L545 I547 I553	L545-K549 VanDerWaalsContact O-CB 3.26Å; L545-K549 WeakPolarHBondContact O-CB 3.25Å; L545-K549 PolarHBondContact O-N 2.79Å; I547-K549 VanDerWaalsContact C-N 3.32Å; I547-K549 PolarHBondContact O-N 3.02Å; K549-I553 HydrophobicContact CG-CD1 4.5Å; K549-I553 WeakPolarHBondContact O-CD1 3.32Å; K549-I553 VanDerWaalsContact O-CG1 3.29Å; K549-I553 WeakPolarHBondContact O-CG1 3.29Å; K549-I553 PolarHBondContact O-N 3.27Å
550	K	77.7	Confident	76.4	Confident	148 Å²	148	87.7 Å²	87.7	64%	0.643	42%	0.423	S	S	*	.	H	α-helix	trans	-68.2	-40.8	176.2	-171.5	179.1	177.1	-176	0	110.9	K546 I547 A548 I553 A554	K546-K550 WeakPolarHBondContact O-CB 3.42Å; K546-K550 PolarHBondContact O-N 2.97Å; I547-K550 WeakPolarHBondContact O-CB 3.29Å; I547-K550 PolarHBondContact O-N 3.42Å; A548-K550 PolarHBondContact O-N 2.91Å; K550-I553 PolarHBondContact O-N 2.96Å; K550-A554 PolarHBondContact O-N 3.34Å
551	D	77.1	Confident	76.2	Confident	67 Å²	67	87.2 Å²	87.2	36%	0.358	41%	0.414	S	S	.	.	H	α-helix	trans	-67.8	-38.1	177.2	-72.5	-19.6	0	0	0	112.1	I547 A548 I553 A554 Q555	I547-D551 PolarHBondContact O-N 3.47Å; A548-D551 PolarHBondContact O-N 3.09Å; D551-I553 VanDerWaalsContact C-N 3.3Å; D551-I553 PolarHBondContact O-N 3.36Å; D551-A554 PolarHBondContact O-N 2.62Å; D551-Q555 VanDerWaalsContact O-CB 3.3Å; D551-Q555 WeakPolarHBondContact O-CB 3.17Å; D551-Q555 PolarHBondContact O-N 2.94Å
552	E	75.1	Confident	76	Confident	114 Å²	114	84.3 Å²	84.3	53%	0.533	40%	0.404	S	S	.	.	H	α-helix	trans	-61.9	-35.6	172.3	-79.6	-177.5	175.4	0	0	112.8	A548 R556	A548-E552 WeakPolarHBondContact O-CB 3.45Å; A548-E552 WeakPolarHBondContact O-CG 3.44Å; A548-E552 PolarHBondContact O-N 3.47Å; E552-R556 WeakPolarHBondContact O-CB 3.44Å; E552-R556 VanDerWaalsContact O-CG 3.3Å; E552-R556 WeakPolarHBondContact O-CG 3.45Å; E552-R556 PolarHBondContact O-N 3Å; E552-R556 VanDerWaalsContact O-N 3.17Å; E552-R556 PolarHBondContact O-NE 2.87Å; E552-R556 VanDerWaalsContact O-NE 3.14Å
553	I	72.8	Confident	75.7	Confident	90 Å²	90	78.8 Å²	78.8	46%	0.462	38%	0.378	S	S	.	.	H	α-helix	trans	-70.2	-45.7	174.9	-66.7	163	0	0	0	109.8	K549 K550 D551 Q555 R556 D557	K549-I553 HydrophobicContact CG-CD1 4.5Å; K549-I553 WeakPolarHBondContact O-CD1 3.32Å; K549-I553 VanDerWaalsContact O-CG1 3.29Å; K549-I553 WeakPolarHBondContact O-CG1 3.29Å; K549-I553 PolarHBondContact O-N 3.27Å; K550-I553 PolarHBondContact O-N 2.96Å; D551-I553 VanDerWaalsContact C-N 3.3Å; D551-I553 PolarHBondContact O-N 3.36Å; I553-Q555 PolarHBondContact O-N 3.45Å; I553-R556 PolarHBondContact O-N 3.08Å; I553-D557 PolarHBondContact O-N 3.39Å
554	A	74.9	Confident	75.4	Confident	35 Å²	35	74 Å²	74	29%	0.289	35%	0.353	S	S	.	.	H	α-helix	trans	-64.5	-39	179	0	0	0	0	0	112.3	K550 D551 D557 R558	K550-A554 PolarHBondContact O-N 3.34Å; D551-A554 PolarHBondContact O-N 2.62Å; A554-D557 PolarHBondContact O-N 3.5Å; A554-R558 WeakPolarHBondContact O-CG 3.38Å; A554-R558 PolarHBondContact O-N 3.16Å
555	Q	75.5	Confident	75.3	Confident	57 Å²	57	75.1 Å²	75.1	27%	0.266	36%	0.358	S	S	.	.	H	α-helix	trans	-64.6	-44.7	176	-176.7	173.3	-22.5	0	0	111.4	D551 I553 D557 R558 E559	D551-Q555 VanDerWaalsContact O-CB 3.3Å; D551-Q555 WeakPolarHBondContact O-CB 3.17Å; D551-Q555 PolarHBondContact O-N 2.94Å; I553-Q555 PolarHBondContact O-N 3.45Å; Q555-D557 VanDerWaalsContact C-N 3.33Å; Q555-D557 PolarHBondContact O-N 2.87Å; Q555-R558 WeakPolarHBondContact O-CB 3.43Å; Q555-R558 PolarHBondContact O-N 3.33Å; Q555-E559 WeakPolarHBondContact O-CG 3.44Å; Q555-E559 PolarHBondContact O-N 3.47Å
556	R	70	Confident	75.1	Confident	62 Å²	62	69.9 Å²	69.9	23%	0.234	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-41	175.7	-77.5	-176.8	-70.5	153.6	-9.8	112.2	E552 I553 E559 W560	E552-R556 WeakPolarHBondContact O-CB 3.44Å; E552-R556 VanDerWaalsContact O-CG 3.3Å; E552-R556 WeakPolarHBondContact O-CG 3.45Å; E552-R556 PolarHBondContact O-N 3Å; E552-R556 VanDerWaalsContact O-N 3.17Å; E552-R556 PolarHBondContact O-NE 2.87Å; E552-R556 VanDerWaalsContact O-NE 3.14Å; I553-R556 PolarHBondContact O-N 3.08Å; R556-E559 PolarHBondContact O-N 2.87Å; R556-W560 PolarHBondContact O-N 3.19Å
557	D	71.8	Confident	75.1	Confident	47 Å²	47	64.4 Å²	64.4	25%	0.251	31%	0.309	S	S	.	.	H	α-helix	trans	-65.9	-37.9	176.8	-168.8	48.7	0	0	0	111.7	H336 I553 A554 Q555 W560 R561	H336-D557 IonicContact CD2-OD1 2.94Å; H336-D557 IonicContact CE1-OD1 3.68Å; H336-D557 IonicContact NE2-OD1 3.61Å; H336-D557 PolarHBondContact NE2-OD1 3.18Å; I553-D557 PolarHBondContact O-N 3.39Å; A554-D557 PolarHBondContact O-N 3.5Å; Q555-D557 VanDerWaalsContact C-N 3.33Å; Q555-D557 PolarHBondContact O-N 2.87Å; D557-W560 PolarHBondContact O-N 3.06Å; D557-R561 WeakPolarHBondContact O-CB 3.25Å; D557-R561 WeakPolarHBondContact O-CG 3.34Å; D557-R561 PolarHBondContact O-N 2.86Å; D557-R561 IonicContact OD1-NE 2.92Å; D557-R561 IonicContact OD1-NH2 3.85Å; D557-R561 IonicContact OD2-CZ 3.17Å; D557-R561 IonicContact OD2-NE 2.89Å; D557-R561 PolarHBondContact OD2-NE 3.34Å; D557-R561 IonicContact OD2-NH2 2.74Å; D557-R561 PolarHBondContact OD2-NH2 2.62Å
558	R	73.5	Confident	75.1	Confident	127 Å²	127	60.6 Å²	60.6	48%	0.479	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-43.8	172	-73.6	-172.5	-65	-93.7	4	112.7	A554 Q555 R561 L562	A554-R558 WeakPolarHBondContact O-CG 3.38Å; A554-R558 PolarHBondContact O-N 3.16Å; Q555-R558 WeakPolarHBondContact O-CB 3.43Å; Q555-R558 PolarHBondContact O-N 3.33Å; R558-R561 PolarHBondContact O-N 3.31Å; R558-L562 PolarHBondContact O-N 3.37Å
559	E	73.4	Confident	75.1	Confident	34 Å²	34	62.8 Å²	62.8	16%	0.159	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-45	177.7	-71.4	177.7	-179	0	0	111.7	V345 Q555 R556 L562 V563	V345-E559 HydrophobicContact CG2-CB 3.81Å; Q555-E559 WeakPolarHBondContact O-CG 3.44Å; Q555-E559 PolarHBondContact O-N 3.47Å; R556-E559 PolarHBondContact O-N 2.87Å; E559-L562 WeakPolarHBondContact O-CB 3.48Å; E559-L562 PolarHBondContact O-N 2.58Å; E559-V563 VanDerWaalsContact O-CG2 3.24Å; E559-V563 WeakPolarHBondContact O-CG2 3.15Å; E559-V563 PolarHBondContact O-N 2.83Å
560	W	73.1	Confident	75.3	Confident	12 Å²	12	58.3 Å²	58.3	5%	0.045	27%	0.27	C	S	.	.	H	α-helix	trans	-66.7	-38.6	176.1	-79	108	0	0	0	112.8	V345 L349 R556 D557 L562 V563 L564	V345-W560 HydrophobicContact CB-CH2 4.35Å; V345-W560 HydrophobicContact CB-CZ2 3.99Å; V345-W560 HydrophobicContact CG1-CH2 3.88Å; V345-W560 HydrophobicContact CG1-CZ2 4.05Å; V345-W560 HydrophobicContact CG1-CZ3 4.44Å; V345-W560 HydrophobicContact CG2-CD2 4.07Å; V345-W560 HydrophobicContact CG2-CG 4.38Å; V345-W560 HydrophobicContact CG2-CH2 4.28Å; V345-W560 HydrophobicContact CG2-CZ2 3.71Å; L349-W560 HydrophobicContact CD2-CH2 3.89Å; L349-W560 HydrophobicContact CD2-CZ3 3.83Å; R556-W560 PolarHBondContact O-N 3.19Å; D557-W560 PolarHBondContact O-N 3.06Å; W560-L562 VanDerWaalsContact C-N 3.3Å; W560-L562 PolarHBondContact O-N 2.85Å; W560-V563 HydrophobicContact CE3-CB 4.44Å; W560-V563 HydrophobicContact CE3-CG1 4.43Å; W560-V563 HydrophobicContact CZ3-CG1 4.29Å; W560-V563 PolarHBondContact O-N 3.39Å; W560-L564 VanDerWaalsContact O-CB 3.31Å; W560-L564 WeakPolarHBondContact O-CB 3.42Å; W560-L564 WeakPolarHBondContact O-CD1 3.37Å; W560-L564 VanDerWaalsContact O-CG 3.29Å; W560-L564 WeakPolarHBondContact O-CG 3.35Å; W560-L564 PolarHBondContact O-N 3.39Å
561	R	73.9	Confident	75.6	Confident	95 Å²	95	53.7 Å²	53.7	36%	0.358	25%	0.251	S	S	.	.	H	α-helix	trans	-58.3	-42.5	172.2	-76.8	170.6	-167.1	-81.4	-10.4	111.5	Q275 D557 R558 L564 M565	Q275-R561 VanDerWaalsContact NE2-CG 3.26Å; D557-R561 WeakPolarHBondContact O-CB 3.25Å; D557-R561 WeakPolarHBondContact O-CG 3.34Å; D557-R561 PolarHBondContact O-N 2.86Å; D557-R561 IonicContact OD1-NE 2.92Å; D557-R561 IonicContact OD1-NH2 3.85Å; D557-R561 IonicContact OD2-CZ 3.17Å; D557-R561 IonicContact OD2-NE 2.89Å; D557-R561 PolarHBondContact OD2-NE 3.34Å; D557-R561 IonicContact OD2-NH2 2.74Å; D557-R561 PolarHBondContact OD2-NH2 2.62Å; R558-R561 PolarHBondContact O-N 3.31Å; R561-L564 WeakPolarHBondContact O-CB 3.21Å; R561-L564 PolarHBondContact O-N 3.5Å; R561-M565 WeakPolarHBondContact O-CB 3.35Å; R561-M565 VanDerWaalsContact O-CG 3.26Å; R561-M565 WeakPolarHBondContact O-CG 3.5Å; R561-M565 PolarHBondContact O-N 3.03Å
562	L	73	Confident	76	Confident	42 Å²	42	51 Å²	51	22%	0.22	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-45.3	177.5	-169.8	82.9	0	0	0	111.9	V353 V362 L365 R558 E559 W560 L564 M565 T566	V353-L562 HydrophobicContact CG1-CD2 4.02Å; V353-L562 HydrophobicContact CG1-CG 4.34Å; V362-L562 HydrophobicContact CG1-CD1 3.79Å; L365-L562 HydrophobicContact CD1-CB 4.46Å; L365-L562 HydrophobicContact CD1-CD1 4.1Å; L365-L562 HydrophobicContact CD1-CD2 3.69Å; L365-L562 HydrophobicContact CD1-CG 4.3Å; R558-L562 PolarHBondContact O-N 3.37Å; E559-L562 WeakPolarHBondContact O-CB 3.48Å; E559-L562 PolarHBondContact O-N 2.58Å; W560-L562 VanDerWaalsContact C-N 3.3Å; W560-L562 PolarHBondContact O-N 2.85Å; L562-L564 VanDerWaalsContact C-N 3.32Å; L562-L564 PolarHBondContact O-N 2.83Å; L562-M565 PolarHBondContact O-N 2.89Å; L562-T566 WeakPolarHBondContact O-CB 3.4Å; L562-T566 PolarHBondContact O-N 3.04Å; L562-T566 PolarHBondContact O-OG1 3.15Å
563	V	73.9	Confident	76.4	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.024	24%	0.239	C	C	.	.	H	α-helix	trans	-57.4	-49.1	176.2	173	0	0	0	0	110	V345 L349 V353 E559 W560 T566 I567	V345-V563 HydrophobicContact CG1-CG2 4Å; L349-V563 HydrophobicContact CD1-CG1 4.46Å; L349-V563 HydrophobicContact CD2-CG1 3.76Å; L349-V563 HydrophobicContact CG-CG1 4.07Å; V353-V563 HydrophobicContact CG2-CB 4.16Å; V353-V563 HydrophobicContact CG2-CG1 4.06Å; V353-V563 HydrophobicContact CG2-CG2 3.96Å; E559-V563 VanDerWaalsContact O-CG2 3.24Å; E559-V563 WeakPolarHBondContact O-CG2 3.15Å; E559-V563 PolarHBondContact O-N 2.83Å; W560-V563 HydrophobicContact CE3-CB 4.44Å; W560-V563 HydrophobicContact CE3-CG1 4.43Å; W560-V563 HydrophobicContact CZ3-CG1 4.29Å; W560-V563 PolarHBondContact O-N 3.39Å; V563-T566 PolarHBondContact O-N 2.98Å; V563-I567 HydrophobicContact CG1-CD1 3.89Å; V563-I567 WeakPolarHBondContact O-CG1 3.25Å; V563-I567 PolarHBondContact O-N 3.32Å
564	L	73.8	Confident	77.1	Confident	7 Å²	7	53.7 Å²	53.7	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-56.9	-52.4	177.9	-82.9	165.6	0	0	0	112.2	P274 Q275 V332 W560 R561 L562 T566 I567 D568	P274-L564 HydrophobicContact CB-CD2 4.01Å; P274-L564 HydrophobicContact CG-CB 3.62Å; P274-L564 HydrophobicContact CG-CD1 4.1Å; P274-L564 HydrophobicContact CG-CD2 3.44Å; P274-L564 VanDerWaalsContact CG-CD2 3.44Å; P274-L564 HydrophobicContact CG-CG 3.91Å; Q275-L564 HydrophobicContact CG-CD1 4.45Å; V332-L564 HydrophobicContact CB-CD2 3.31Å; V332-L564 HydrophobicContact CB-CG 4.42Å; V332-L564 HydrophobicContact CG1-CD1 4.49Å; V332-L564 HydrophobicContact CG1-CD2 3.03Å; V332-L564 HydrophobicContact CG1-CG 3.63Å; V332-L564 HydrophobicContact CG2-CD2 4.2Å; W560-L564 VanDerWaalsContact O-CB 3.31Å; W560-L564 WeakPolarHBondContact O-CB 3.42Å; W560-L564 WeakPolarHBondContact O-CD1 3.37Å; W560-L564 VanDerWaalsContact O-CG 3.29Å; W560-L564 WeakPolarHBondContact O-CG 3.35Å; W560-L564 PolarHBondContact O-N 3.39Å; R561-L564 WeakPolarHBondContact O-CB 3.21Å; R561-L564 PolarHBondContact O-N 3.5Å; L562-L564 VanDerWaalsContact C-N 3.32Å; L562-L564 PolarHBondContact O-N 2.83Å; L564-T566 VanDerWaalsContact C-N 3.29Å; L564-T566 PolarHBondContact O-N 3Å; L564-I567 PolarHBondContact O-N 3.35Å; L564-D568 PolarHBondContact O-N 2.9Å
565	M	74.3	Confident	77.7	Confident	95 Å²	95	52.1 Å²	52.1	47%	0.468	23%	0.226	S	C	.	.	H	α-helix	trans	-62.7	-35.9	178.8	-71.8	175.8	-179	0	0	112.3	R561 L562 R569	R561-M565 WeakPolarHBondContact O-CB 3.35Å; R561-M565 VanDerWaalsContact O-CG 3.26Å; R561-M565 WeakPolarHBondContact O-CG 3.5Å; R561-M565 PolarHBondContact O-N 3.03Å; L562-M565 PolarHBondContact O-N 2.89Å; M565-R569 VanDerWaalsContact O-CB 3.24Å; M565-R569 WeakPolarHBondContact O-CB 3.37Å; M565-R569 PolarHBondContact O-N 2.78Å
566	T	78.3	Confident	78.3	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-68.5	-42.9	178.9	-54.6	0	0	0	0	111	V353 F356 L562 V563 L564 R569 L570	V353-T566 HydrophobicContact CG1-CG2 4.18Å; V353-T566 HydrophobicContact CG2-CG2 4.5Å; F356-T566 HydrophobicContact CB-CG2 3.93Å; L562-T566 WeakPolarHBondContact O-CB 3.4Å; L562-T566 PolarHBondContact O-N 3.04Å; L562-T566 PolarHBondContact O-OG1 3.15Å; V563-T566 PolarHBondContact O-N 2.98Å; L564-T566 VanDerWaalsContact C-N 3.29Å; L564-T566 PolarHBondContact O-N 3Å; T566-R569 PolarHBondContact O-N 2.98Å; T566-L570 HydrophobicContact CG2-CD1 4.38Å; T566-L570 VanDerWaalsContact O-CG 3.31Å; T566-L570 WeakPolarHBondContact O-CG 3.39Å; T566-L570 PolarHBondContact O-N 3.19Å
567	I	77.9	Confident	79.1	Confident	40 Å²	40	50.8 Å²	50.8	21%	0.205	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-49.6	176.4	-69.2	169.4	0	0	0	110.2	V332 V563 L564 R569 L570 F571	V332-I567 HydrophobicContact CG2-CD1 4.22Å; V563-I567 HydrophobicContact CG1-CD1 3.89Å; V563-I567 WeakPolarHBondContact O-CG1 3.25Å; V563-I567 PolarHBondContact O-N 3.32Å; L564-I567 PolarHBondContact O-N 3.35Å; I567-R569 VanDerWaalsContact C-N 3.3Å; I567-R569 PolarHBondContact O-N 3.48Å; I567-L570 WeakPolarHBondContact O-CB 3.36Å; I567-L570 PolarHBondContact O-N 2.99Å; I567-F571 HydrophobicContact CG2-CD2 3.66Å; I567-F571 HydrophobicContact CG2-CE2 3.63Å; I567-F571 VanDerWaalsContact O-CD2 3.29Å; I567-F571 WeakPolarHBondContact O-CD2 3.45Å; I567-F571 PolarHBondContact O-N 2.92Å
568	D	79.6	Confident	79.9	Confident	9 Å²	9	50.4 Å²	50.4	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-39.3	178.9	-83.8	-22.2	0	0	0	112.3	P274 K279 L564 F571 C572	P274-D568 VanDerWaalsContact CD-OD2 3.29Å; P274-D568 WeakPolarHBondContact CD-OD2 3.37Å; P274-D568 WeakPolarHBondContact CG-OD2 3.47Å; K279-D568 IonicContact NZ-OD1 2.98Å; K279-D568 PolarHBondContact NZ-OD1 3.44Å; K279-D568 IonicContact NZ-OD2 2.75Å; K279-D568 PolarHBondContact NZ-OD2 3.01Å; L564-D568 PolarHBondContact O-N 2.9Å; D568-F571 PolarHBondContact O-N 3.35Å; D568-C572 WeakPolarHBondContact O-CB 3.34Å; D568-C572 PolarHBondContact O-N 3.3Å
569	R	80.5	Confident	80.6	Confident	92 Å²	92	45 Å²	45	35%	0.347	21%	0.21	S	C	.	.	H	α-helix	trans	-68.4	-37	176.9	-163.9	169	-172.8	-178.4	-1.9	112.3	L360 V362 M565 T566 I567 C572 W573	L360-R569 HydrophobicContact CD1-CB 4.14Å; L360-R569 HydrophobicContact CD1-CG 4.09Å; L360-R569 HydrophobicContact CD2-CG 4.36Å; L360-R569 PolarHBondContact O-NH1 2.87Å; L360-R569 PolarHBondContact O-NH2 3.14Å; V362-R569 VanDerWaalsContact CG2-NH1 3.29Å; M565-R569 VanDerWaalsContact O-CB 3.24Å; M565-R569 WeakPolarHBondContact O-CB 3.37Å; M565-R569 PolarHBondContact O-N 2.78Å; T566-R569 PolarHBondContact O-N 2.98Å; I567-R569 VanDerWaalsContact C-N 3.3Å; I567-R569 PolarHBondContact O-N 3.48Å; R569-C572 VanDerWaalsContact O-CB 3.31Å; R569-C572 WeakPolarHBondContact O-CB 3.31Å; R569-C572 PolarHBondContact O-N 3.03Å; R569-W573 VanDerWaalsContact O-CD1 3.28Å; R569-W573 PolarHBondContact O-N 2.91Å
570	L	81.2	Confident	81.3	Confident	47 Å²	47	48.7 Å²	48.7	25%	0.246	23%	0.23	C	C	.	.	H	α-helix	trans	-63	-46	172.1	-73.3	167.2	0	0	0	111.7	F356 L360 T566 I567 C572 W573 F574	F356-L570 HydrophobicContact CB-CD1 3.77Å; F356-L570 HydrophobicContact CB-CD2 3.94Å; F356-L570 HydrophobicContact CB-CG 4.19Å; F356-L570 HydrophobicContact CD1-CD1 3.97Å; F356-L570 HydrophobicContact CD1-CD2 3.26Å; F356-L570 HydrophobicContact CD1-CG 4.21Å; F356-L570 HydrophobicContact CD2-CD1 3.64Å; F356-L570 HydrophobicContact CD2-CD2 4.49Å; F356-L570 HydrophobicContact CE1-CD1 4.43Å; F356-L570 HydrophobicContact CE1-CD2 3.77Å; F356-L570 HydrophobicContact CE2-CD1 4.15Å; F356-L570 HydrophobicContact CG-CD1 3.53Å; F356-L570 HydrophobicContact CG-CD2 3.67Å; F356-L570 HydrophobicContact CG-CG 4.14Å; L360-L570 HydrophobicContact CD1-CD2 3.57Å; L360-L570 HydrophobicContact CD1-CG 3.71Å; L360-L570 HydrophobicContact CG-CD2 4.39Å; T566-L570 HydrophobicContact CG2-CD1 4.38Å; T566-L570 VanDerWaalsContact O-CG 3.31Å; T566-L570 WeakPolarHBondContact O-CG 3.39Å; T566-L570 PolarHBondContact O-N 3.19Å; I567-L570 WeakPolarHBondContact O-CB 3.36Å; I567-L570 PolarHBondContact O-N 2.99Å; L570-C572 VanDerWaalsContact C-N 3.3Å; L570-C572 PolarHBondContact O-N 3.03Å; L570-W573 PolarHBondContact O-N 3.32Å; L570-F574 WeakPolarHBondContact O-CB 3.47Å; L570-F574 PolarHBondContact O-N 2.9Å
571	F	83.4	Confident	82	Confident	51 Å²	51	53 Å²	53	22%	0.224	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-36.7	174.4	-84	-73.1	0	0	0	111.9	F270 L324 A328 I567 D568 F574 Y575	F270-F571 HydrophobicContact CD1-CB 3.94Å; F270-F571 HydrophobicContact CE1-CB 3.75Å; L324-F571 HydrophobicContact CD2-CE1 4.3Å; L324-F571 HydrophobicContact CG-CE1 4.28Å; A328-F571 HydrophobicContact CB-CE2 3.95Å; A328-F571 HydrophobicContact CB-CZ 4.09Å; I567-F571 HydrophobicContact CG2-CD2 3.66Å; I567-F571 HydrophobicContact CG2-CE2 3.63Å; I567-F571 VanDerWaalsContact O-CD2 3.29Å; I567-F571 WeakPolarHBondContact O-CD2 3.45Å; I567-F571 PolarHBondContact O-N 2.92Å; D568-F571 PolarHBondContact O-N 3.35Å; F571-F574 PolarHBondContact O-N 3.39Å; F571-Y575 WeakPolarHBondContact O-CB 3.44Å; F571-Y575 PolarHBondContact O-N 3.46Å
572	C	85.9	Confident	82.6	Confident	10 Å²	10	49.6 Å²	49.6	7%	0.068	25%	0.249	C	C	.	.	H	α-helix	trans	-58.4	-49.2	174	-168.2	0	0	0	0	111.4	F270 D568 R569 L570 S576	F270-C572 HydrophobicContact CB-CB 3.43Å; F270-C572 VanDerWaalsContact CB-CB 3.43Å; F270-C572 HydrophobicContact CD2-CB 4.31Å; F270-C572 HydrophobicContact CG-CB 3.91Å; D568-C572 WeakPolarHBondContact O-CB 3.34Å; D568-C572 PolarHBondContact O-N 3.3Å; R569-C572 VanDerWaalsContact O-CB 3.31Å; R569-C572 WeakPolarHBondContact O-CB 3.31Å; R569-C572 PolarHBondContact O-N 3.03Å; L570-C572 VanDerWaalsContact C-N 3.3Å; L570-C572 PolarHBondContact O-N 3.03Å; C572-S576 WeakPolarHBondContact O-CB 3.48Å; C572-S576 PolarHBondContact O-N 2.75Å; C572-S576 PolarHBondContact O-OG 3.31Å
573	W	84.2	Confident	83.3	Confident	154 Å²	154	48.5 Å²	48.5	58%	0.583	25%	0.248	S	C	*	.	H	α-helix	trans	-63.6	-47.7	179.3	-89.2	87.4	0	0	0	111	L360 R569 L570 S576 T577	L360-W573 HydrophobicContact CD2-CD2 4.44Å; L360-W573 HydrophobicContact CD2-CG 4.02Å; R569-W573 VanDerWaalsContact O-CD1 3.28Å; R569-W573 PolarHBondContact O-N 2.91Å; L570-W573 PolarHBondContact O-N 3.32Å; W573-S576 PolarHBondContact O-N 3.32Å; W573-T577 WeakPolarHBondContact O-CB 3.24Å; W573-T577 VanDerWaalsContact O-CG2 3.26Å; W573-T577 WeakPolarHBondContact O-CG2 3.46Å; W573-T577 PolarHBondContact O-N 3.18Å; W573-T577 PolarHBondContact O-OG1 2.83Å
574	F	87.3	Confident	83.8	Confident	107 Å²	107	51.8 Å²	51.8	47%	0.469	27%	0.268	S	S	.	.	H	α-helix	trans	-61.1	-46	177.1	179.7	-104.8	0	0	0	112.3	L321 L570 F571 T577 V578	L321-F574 HydrophobicContact CD2-CD1 4.21Å; L321-F574 HydrophobicContact CD2-CE1 3.58Å; L570-F574 WeakPolarHBondContact O-CB 3.47Å; L570-F574 PolarHBondContact O-N 2.9Å; F571-F574 PolarHBondContact O-N 3.39Å; F574-T577 PolarHBondContact O-OG1 2.83Å; F574-V578 HydrophobicContact CD2-CG2 4.33Å; F574-V578 HydrophobicContact CE1-CG2 4.36Å; F574-V578 HydrophobicContact CE2-CG2 4.02Å; F574-V578 HydrophobicContact CZ-CG2 4.04Å; F574-V578 WeakPolarHBondContact O-CB 3.3Å; F574-V578 WeakPolarHBondContact O-CG2 3.5Å; F574-V578 PolarHBondContact O-N 2.87Å; F574-V578 VanDerWaalsContact O-N 3.07Å
575	Y	88.4	Confident	84.2	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-62.5	-49.3	177.3	178.1	-93.5	0	0	0	111	T266 F270 N318 L321 F571 T577 V578 V579	T266-Y575 VanDerWaalsContact CB-OH 3.28Å; T266-Y575 WeakPolarHBondContact CB-OH 3.33Å; T266-Y575 WeakPolarHBondContact OG1-CE1 3.34Å; T266-Y575 PolarHBondContact OG1-OH 3.49Å; F270-Y575 HydrophobicContact CD2-CD1 4.24Å; F270-Y575 HydrophobicContact CD2-CG 4.41Å; F270-Y575 AromaticContact CE2-CD1 3.46Å; F270-Y575 HydrophobicContact CE2-CD1 3.46Å; F270-Y575 VanDerWaalsContact CE2-CD1 3.46Å; F270-Y575 AromaticContact CE2-CD2 3.97Å; F270-Y575 HydrophobicContact CE2-CD2 3.97Å; F270-Y575 HydrophobicContact CE2-CE1 4.11Å; F270-Y575 AromaticContact CE2-CG 3.37Å; F270-Y575 HydrophobicContact CE2-CG 3.37Å; F270-Y575 HydrophobicContact CZ-CD1 4.29Å; F270-Y575 HydrophobicContact CZ-CD2 4Å; F270-Y575 AromaticContact CZ-CG 3.74Å; F270-Y575 HydrophobicContact CZ-CG 3.74Å; N318-Y575 PolarHBondContact OD1-OH 2.78Å; L321-Y575 HydrophobicContact CB-CD2 3.79Å; L321-Y575 HydrophobicContact CB-CE2 4.07Å; L321-Y575 HydrophobicContact CD1-CD2 3.69Å; L321-Y575 HydrophobicContact CD1-CE2 4.1Å; L321-Y575 HydrophobicContact CG-CD2 4.37Å; F571-Y575 WeakPolarHBondContact O-CB 3.44Å; F571-Y575 PolarHBondContact O-N 3.46Å; Y575-T577 PolarHBondContact O-N 3.34Å; Y575-V578 PolarHBondContact O-N 2.74Å; Y575-V579 HydrophobicContact CD1-CG2 4.12Å; Y575-V579 HydrophobicContact CD2-CG2 4.09Å; Y575-V579 HydrophobicContact CE1-CB 4.37Å; Y575-V579 HydrophobicContact CE1-CG2 3.75Å; Y575-V579 HydrophobicContact CE2-CG2 3.69Å; Y575-V579 HydrophobicContact CG-CG2 4.28Å; Y575-V579 VanDerWaalsContact O-CB 3.27Å; Y575-V579 WeakPolarHBondContact O-CB 3.21Å; Y575-V579 VanDerWaalsContact O-CG2 3.27Å; Y575-V579 WeakPolarHBondContact O-CG2 3.32Å; Y575-V579 PolarHBondContact O-N 3.25Å
576	S	86.3	Confident	84.6	Confident	23 Å²	23	53.6 Å²	53.6	16%	0.161	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-41.8	-177.8	-56.5	0	0	0	0	111.5	C572 W573 I580	C572-S576 WeakPolarHBondContact O-CB 3.48Å; C572-S576 PolarHBondContact O-N 2.75Å; C572-S576 PolarHBondContact O-OG 3.31Å; W573-S576 PolarHBondContact O-N 3.32Å; S576-I580 VanDerWaalsContact O-CB 3.23Å; S576-I580 WeakPolarHBondContact O-CB 3.4Å; S576-I580 WeakPolarHBondContact O-CD1 3.34Å; S576-I580 WeakPolarHBondContact O-CG1 3.36Å; S576-I580 PolarHBondContact O-N 3.21Å
577	T	87	Confident	84.3	Confident	68 Å²	68	58.3 Å²	58.3	42%	0.417	30%	0.297	S	S	.	.	H	α-helix	trans	-65.1	-46.5	177.5	54.8	0	0	0	0	111.3	W573 F574 Y575 V579 V581	W573-T577 WeakPolarHBondContact O-CB 3.24Å; W573-T577 VanDerWaalsContact O-CG2 3.26Å; W573-T577 WeakPolarHBondContact O-CG2 3.46Å; W573-T577 PolarHBondContact O-N 3.18Å; W573-T577 PolarHBondContact O-OG1 2.83Å; F574-T577 PolarHBondContact O-OG1 2.83Å; Y575-T577 PolarHBondContact O-N 3.34Å; T577-V579 PolarHBondContact O-N 3.45Å; T577-V581 WeakPolarHBondContact O-CB 3.49Å; T577-V581 WeakPolarHBondContact O-CG2 3.41Å; T577-V581 PolarHBondContact O-N 3.48Å
578	V	88.9	Confident	84	Confident	39 Å²	39	63 Å²	63	24%	0.236	32%	0.316	C	S	.	.	H	α-helix	trans	-63.6	-44.2	179.1	177.5	0	0	0	0	110.8	L317 L321 F574 Y575 V581 A582	L317-V578 HydrophobicContact CD1-CG1 3.88Å; L317-V578 HydrophobicContact CD2-CG1 3.72Å; L317-V578 HydrophobicContact CG-CG1 4.3Å; L321-V578 HydrophobicContact CD1-CB 4.31Å; L321-V578 HydrophobicContact CD1-CG1 4.08Å; F574-V578 HydrophobicContact CD2-CG2 4.33Å; F574-V578 HydrophobicContact CE1-CG2 4.36Å; F574-V578 HydrophobicContact CE2-CG2 4.02Å; F574-V578 HydrophobicContact CZ-CG2 4.04Å; F574-V578 WeakPolarHBondContact O-CB 3.3Å; F574-V578 WeakPolarHBondContact O-CG2 3.5Å; F574-V578 PolarHBondContact O-N 2.87Å; F574-V578 VanDerWaalsContact O-N 3.07Å; Y575-V578 PolarHBondContact O-N 2.74Å; V578-V581 PolarHBondContact O-N 2.98Å; V578-A582 WeakPolarHBondContact O-CB 3.26Å; V578-A582 PolarHBondContact O-N 2.79Å
579	V	88.8	Confident	83.2	Confident	14 Å²	14	66.3 Å²	66.3	9%	0.085	34%	0.338	C	S	.	.	H	α-helix	trans	-69.8	-39.3	-179.2	168.9	0	0	0	0	112.4	F314 Y575 T577 G583	F314-V579 HydrophobicContact CE2-CG1 4.24Å; F314-V579 HydrophobicContact CZ-CG1 3.96Å; Y575-V579 HydrophobicContact CD1-CG2 4.12Å; Y575-V579 HydrophobicContact CD2-CG2 4.09Å; Y575-V579 HydrophobicContact CE1-CB 4.37Å; Y575-V579 HydrophobicContact CE1-CG2 3.75Å; Y575-V579 HydrophobicContact CE2-CG2 3.69Å; Y575-V579 HydrophobicContact CG-CG2 4.28Å; Y575-V579 VanDerWaalsContact O-CB 3.27Å; Y575-V579 WeakPolarHBondContact O-CB 3.21Å; Y575-V579 VanDerWaalsContact O-CG2 3.27Å; Y575-V579 WeakPolarHBondContact O-CG2 3.32Å; Y575-V579 PolarHBondContact O-N 3.25Å; T577-V579 PolarHBondContact O-N 3.45Å; V579-G583 WeakPolarHBondContact O-CA 3.4Å; V579-G583 PolarHBondContact O-N 2.83Å
580	I	87.3	Confident	82.3	Confident	111 Å²	111	70.9 Å²	70.9	57%	0.569	36%	0.355	S	S	*	.	H	α-helix	trans	-65.8	-46.7	175.1	-70.1	166.3	0	0	0	110	S576 A582 G583 V584	S576-I580 VanDerWaalsContact O-CB 3.23Å; S576-I580 WeakPolarHBondContact O-CB 3.4Å; S576-I580 WeakPolarHBondContact O-CD1 3.34Å; S576-I580 WeakPolarHBondContact O-CG1 3.36Å; S576-I580 PolarHBondContact O-N 3.21Å; I580-A582 PolarHBondContact O-N 3.3Å; I580-G583 PolarHBondContact O-N 3.34Å; I580-V584 HydrophobicContact CG2-CG2 4.29Å; I580-V584 WeakPolarHBondContact O-CB 3.43Å; I580-V584 WeakPolarHBondContact O-CG2 3.37Å; I580-V584 PolarHBondContact O-N 3.25Å
581	V	88.1	Confident	81	Confident	103 Å²	103	70.1 Å²	70.1	62%	0.624	36%	0.359	S	S	*	.	H	α-helix	trans	-61.9	-45.8	178.7	171	0	0	0	0	110.8	T577 V578 Y585	T577-V581 WeakPolarHBondContact O-CB 3.49Å; T577-V581 WeakPolarHBondContact O-CG2 3.41Å; T577-V581 PolarHBondContact O-N 3.48Å; V578-V581 PolarHBondContact O-N 2.98Å; V581-Y585 WeakPolarHBondContact O-CB 3.39Å; V581-Y585 PolarHBondContact O-N 3.46Å
582	A	87.2	Confident	79.6	Confident	23 Å²	23	77.6 Å²	77.6	19%	0.19	39%	0.386	C	S	.	.	H	α-helix	trans	-67.7	-39.8	177.8	0	0	0	0	0	112	F314 V578 I580 Y585 L586	F314-A582 HydrophobicContact CD2-CB 3.72Å; F314-A582 HydrophobicContact CE2-CB 3.9Å; V578-A582 WeakPolarHBondContact O-CB 3.26Å; V578-A582 PolarHBondContact O-N 2.79Å; I580-A582 PolarHBondContact O-N 3.3Å; A582-Y585 WeakPolarHBondContact O-CB 3.4Å; A582-Y585 PolarHBondContact O-N 2.97Å; A582-L586 VanDerWaalsContact O-CG 3.3Å; A582-L586 WeakPolarHBondContact O-CG 3.4Å; A582-L586 PolarHBondContact O-N 3.36Å
583	G	86.5	Confident	78.3	Confident	18 Å²	18	79.6 Å²	79.6	19%	0.186	40%	0.4	C	S	.	.	H	α-helix	trans	-65.2	-42.5	177	0	0	0	0	0	112.7	V579 I580 Y585 L586 L587	V579-G583 WeakPolarHBondContact O-CA 3.4Å; V579-G583 PolarHBondContact O-N 2.83Å; I580-G583 PolarHBondContact O-N 3.34Å; G583-Y585 VanDerWaalsContact C-N 3.33Å; G583-L586 PolarHBondContact O-N 2.92Å; G583-L587 WeakPolarHBondContact O-CG 3.31Å; G583-L587 PolarHBondContact O-N 3.02Å
584	V	84.8	Confident	77.4	Confident	73 Å²	73	77 Å²	77	44%	0.442	39%	0.393	S	S	.	.	H	α-helix	trans	-61.5	-44.2	171.7	169	0	0	0	0	110.1	I580 L586 L587 F588	I580-V584 HydrophobicContact CG2-CG2 4.29Å; I580-V584 WeakPolarHBondContact O-CB 3.43Å; I580-V584 WeakPolarHBondContact O-CG2 3.37Å; I580-V584 PolarHBondContact O-N 3.25Å; V584-L586 PolarHBondContact O-N 2.83Å; V584-L587 PolarHBondContact O-N 3.36Å; V584-F588 HydrophobicContact CG1-CD2 3.73Å; V584-F588 HydrophobicContact CG1-CE2 3.89Å; V584-F588 VanDerWaalsContact O-CD2 3.3Å; V584-F588 WeakPolarHBondContact O-CD2 3.37Å; V584-F588 PolarHBondContact O-N 2.97Å; V584-F588 VanDerWaalsContact O-N 3.16Å
585	Y	82.7	Confident	77.1	Confident	104 Å²	104	75.2 Å²	75.2	41%	0.408	39%	0.392	S	S	.	.	H	α-helix	trans	-59.4	-35.3	176.8	-173.5	-91.9	0	0	0	112.8	Y310 V581 A582 G583	Y310-Y585 AromaticContact CD1-CE1 3.98Å; Y310-Y585 HydrophobicContact CD1-CE1 3.98Å; Y310-Y585 HydrophobicContact CD2-CE1 4.47Å; Y310-Y585 HydrophobicContact CE1-CE1 4.01Å; Y310-Y585 HydrophobicContact CE2-CE1 4.49Å; Y310-Y585 HydrophobicContact CG-CE1 4.23Å; V581-Y585 WeakPolarHBondContact O-CB 3.39Å; V581-Y585 PolarHBondContact O-N 3.46Å; A582-Y585 WeakPolarHBondContact O-CB 3.4Å; A582-Y585 PolarHBondContact O-N 2.97Å; G583-Y585 VanDerWaalsContact C-N 3.33Å
586	L	81.6	Confident	76.9	Confident	37 Å²	37	77.2 Å²	77.2	19%	0.194	40%	0.404	C	S	.	.	H	α-helix	trans	-74.4	-40.4	176.4	-67.6	166.7	0	0	0	113.7	Y310 F314 A582 G583 V584 F588	Y310-L586 VanDerWaalsContact C-CD2 3.43Å; Y310-L586 VanDerWaalsContact CB-CD2 3.48Å; F314-L586 HydrophobicContact CB-CD1 3.51Å; F314-L586 HydrophobicContact CD1-CD1 4.06Å; F314-L586 HydrophobicContact CD2-CD1 3.49Å; F314-L586 VanDerWaalsContact CD2-CD1 3.49Å; F314-L586 HydrophobicContact CE2-CD1 4.17Å; F314-L586 HydrophobicContact CG-CD1 3.4Å; F314-L586 VanDerWaalsContact CG-CD1 3.4Å; A582-L586 VanDerWaalsContact O-CG 3.3Å; A582-L586 WeakPolarHBondContact O-CG 3.4Å; A582-L586 PolarHBondContact O-N 3.36Å; G583-L586 PolarHBondContact O-N 2.92Å; V584-L586 PolarHBondContact O-N 2.83Å; L586-F588 VanDerWaalsContact C-N 3.35Å
587	L	73.7	Confident	77	Confident	100 Å²	100	81.6 Å²	81.6	52%	0.524	43%	0.426	S	S	.	.	H	α-helix	trans	-76.3	-22.7	-174.5	-72.2	176	0	0	0	113.3	V256 G583 V584 P589	V256-L587 HydrophobicContact CG1-CD2 4.36Å; G583-L587 WeakPolarHBondContact O-CG 3.31Å; G583-L587 PolarHBondContact O-N 3.02Å; V584-L587 PolarHBondContact O-N 3.36Å; L587-P589 WeakPolarHBondContact O-CD 3.25Å
588	F	71.5	Confident	77.1	Confident	137 Å²	137	81.1 Å²	81.1	60%	0.601	42%	0.419	S	S	*	.	S	Bend	trans	-95.3	96.4	172.4	-73.3	-76.4	0	0	0	109.4	V584 L586 R590	V584-F588 HydrophobicContact CG1-CD2 3.73Å; V584-F588 HydrophobicContact CG1-CE2 3.89Å; V584-F588 VanDerWaalsContact O-CD2 3.3Å; V584-F588 WeakPolarHBondContact O-CD2 3.37Å; V584-F588 PolarHBondContact O-N 2.97Å; V584-F588 VanDerWaalsContact O-N 3.16Å; L586-F588 VanDerWaalsContact C-N 3.35Å; F588-R590 PolarHBondContact O-N 2.91Å
589	P	62.5	Low	77	Confident	79 Å²	79	79.6 Å²	79.6	51%	0.513	41%	0.409	S	S	.	.			trans	-62.1	100.8	179	25.6	-34.1	0	0	0	109.2	F173 L587 G591	F173-P589 HydrophobicContact CB-CB 4.17Å; L587-P589 WeakPolarHBondContact O-CD 3.25Å; P589-G591 PolarHBondContact O-N 3.17Å; P589-G591 VanDerWaalsContact O-N 3.09Å
590	R	61.2	Low	77	Confident	189 Å²	189	79.7 Å²	79.7	71%	0.713	41%	0.409	S	S	*	.			trans	-83.3	53.8	164.7	-76	-166.1	171	100.7	-3.3	109.4	F588 R592	F588-R590 PolarHBondContact O-N 2.91Å; R590-R592 PolarHBondContact O-N 3.36Å
591	G	54.7	Low	77.2	Confident	31 Å²	31	76.6 Å²	76.6	32%	0.32	40%	0.4	S	S	.	.			trans	-87.2	93.4	163.6	0	0	0	0	0	107.7	N170 P589 S593	N170-G591 WeakPolarHBondContact ND2-CA 3.15Å; P589-G591 PolarHBondContact O-N 3.17Å; P589-G591 VanDerWaalsContact O-N 3.09Å; G591-S593 PolarHBondContact O-N 2.87Å
592	R	53	Low	77.3	Confident	208 Å²	208	76.9 Å²	76.9	79%	0.785	40%	0.396	S	S	*	.			trans	-64.9	87	150.3	-174.2	176.3	-176.4	147	-0.8	104.2	R590 H594 E598	R590-R592 PolarHBondContact O-N 3.36Å; R592-H594 PolarHBondContact O-N 3.43Å; R592-H594 VanDerWaalsContact O-N 3.08Å; R592-E598 IonicContact NH2-OE1 2.97Å
593	S	58.4	Low	77.5	Confident	52 Å²	52	77.1 Å²	77.1	36%	0.364	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-54.6	120.8	166.4	-176.2	0	0	0	0	104.2	G591 T595	G591-S593 PolarHBondContact O-N 2.87Å; S593-T595 PolarHBondContact O-N 3.3Å; S593-T595 VanDerWaalsContact O-N 3.14Å
594	H	66.4	Low	77.8	Confident	98 Å²	98	80.1 Å²	80.1	45%	0.454	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-46.4	129.9	168.3	-77.9	-70.1	0	0	0	107	R592 E598 I599	R592-H594 PolarHBondContact O-N 3.43Å; R592-H594 VanDerWaalsContact O-N 3.08Å; H594-E598 WeakPolarHBondContact CA-OE2 3.33Å; H594-E598 HydrophobicContact CB-CB 4.26Å; H594-E598 IonicContact CG-OE2 3.45Å; H594-E598 IonicContact ND1-OE2 2.89Å; H594-E598 PolarHBondContact ND1-OE2 3.17Å; H594-I599 HydrophobicContact CB-CD1 3.85Å; H594-I599 HydrophobicContact CB-CG1 3.48Å; H594-I599 VanDerWaalsContact CB-CG1 3.48Å
595	T	80.6	Confident	78.2	Confident	71 Å²	71	82.1 Å²	82.1	44%	0.436	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-61.6	150.8	177.9	62.5	0	0	0	0	107.6	S593 N597 E598 I599	S593-T595 PolarHBondContact O-N 3.3Å; S593-T595 VanDerWaalsContact O-N 3.14Å; T595-N597 PolarHBondContact O-N 2.83Å; T595-E598 PolarHBondContact N-OE2 2.81Å; T595-E598 WeakPolarHBondContact O-CB 3.39Å; T595-E598 PolarHBondContact O-N 3.37Å; T595-E598 VanDerWaalsContact OG1-CG 3.3Å; T595-E598 WeakPolarHBondContact OG1-CG 3.41Å; T595-E598 PolarHBondContact OG1-N 3.19Å; T595-I599 PolarHBondContact O-N 2.66Å; T595-I599 VanDerWaalsContact O-N 3.16Å
596	V	83.7	Confident	78.7	Confident	44 Å²	44	79.6 Å²	79.6	27%	0.267	41%	0.408	S	S	.	.	H	α-helix	trans	-47	-43.6	178.5	170.1	0	0	0	0	110.4	A218 P220 F243 E598 I599 I600	A218-V596 HydrophobicContact CB-CG2 3.81Å; P220-V596 HydrophobicContact CG-CG1 3.93Å; F243-V596 HydrophobicContact CD1-CG2 3.95Å; F243-V596 HydrophobicContact CD2-CG1 4.46Å; F243-V596 HydrophobicContact CD2-CG2 4.21Å; F243-V596 HydrophobicContact CE1-CB 4.19Å; F243-V596 HydrophobicContact CE1-CG1 4.43Å; F243-V596 HydrophobicContact CE1-CG2 3.8Å; F243-V596 HydrophobicContact CE2-CB 4.33Å; F243-V596 HydrophobicContact CE2-CG1 3.73Å; F243-V596 HydrophobicContact CE2-CG2 4.11Å; F243-V596 HydrophobicContact CG-CG2 4.15Å; F243-V596 HydrophobicContact CZ-CB 3.96Å; F243-V596 HydrophobicContact CZ-CG1 3.72Å; F243-V596 HydrophobicContact CZ-CG2 3.91Å; V596-E598 PolarHBondContact O-N 3.49Å; V596-I599 PolarHBondContact O-N 3.01Å; V596-I600 HydrophobicContact CG1-CD1 3.49Å; V596-I600 VanDerWaalsContact CG1-CD1 3.49Å; V596-I600 WeakPolarHBondContact O-CD1 2.9Å; V596-I600 VanDerWaalsContact O-CG1 3.22Å; V596-I600 WeakPolarHBondContact O-CG1 3.41Å; V596-I600 PolarHBondContact O-N 3.5Å
597	N	87.9	Confident	79.2	Confident	114 Å²	114	78.4 Å²	78.4	61%	0.61	40%	0.401	S	S	*	.	H	α-helix	trans	-63	-39.4	177.6	-61.6	-21	0	0	0	114	T595 I600 A601	T595-N597 PolarHBondContact O-N 2.83Å; N597-I600 PolarHBondContact O-N 3.3Å; N597-A601 VanDerWaalsContact O-CB 3.29Å; N597-A601 WeakPolarHBondContact O-CB 2.97Å; N597-A601 PolarHBondContact O-N 2.7Å
598	E	89.4	Confident	80.1	Confident	58 Å²	58	76.9 Å²	76.9	27%	0.271	39%	0.393	S	S	.	.	H	α-helix	trans	-63.3	-44.2	176	-76.5	168.9	-163.2	0	0	111	R592 H594 T595 V596 I600 A601 M602	R592-E598 IonicContact NH2-OE1 2.97Å; H594-E598 WeakPolarHBondContact CA-OE2 3.33Å; H594-E598 HydrophobicContact CB-CB 4.26Å; H594-E598 IonicContact CG-OE2 3.45Å; H594-E598 IonicContact ND1-OE2 2.89Å; H594-E598 PolarHBondContact ND1-OE2 3.17Å; T595-E598 PolarHBondContact N-OE2 2.81Å; T595-E598 WeakPolarHBondContact O-CB 3.39Å; T595-E598 PolarHBondContact O-N 3.37Å; T595-E598 VanDerWaalsContact OG1-CG 3.3Å; T595-E598 WeakPolarHBondContact OG1-CG 3.41Å; T595-E598 PolarHBondContact OG1-N 3.19Å; V596-E598 PolarHBondContact O-N 3.49Å; E598-I600 VanDerWaalsContact C-N 3.34Å; E598-I600 PolarHBondContact O-N 3.27Å; E598-A601 PolarHBondContact O-N 2.03Å; E598-M602 WeakPolarHBondContact O-CG 3.34Å; E598-M602 PolarHBondContact O-N 3.35Å
599	I	87.3	Confident	81.2	Confident	8 Å²	8	76 Å²	76	4%	0.041	39%	0.392	C	S	.	.	H	α-helix	trans	-65.3	-41	179.3	-57	-160.8	0	0	0	111	H177 F243 H594 T595 V596 M602 H603	H177-I599 HydrophobicContact CB-CD1 3.85Å; H177-I599 VanDerWaalsContact CG-CD1 3.43Å; F243-I599 HydrophobicContact CD1-CD1 4.48Å; F243-I599 HydrophobicContact CE1-CB 4.21Å; F243-I599 HydrophobicContact CE1-CD1 3.66Å; F243-I599 HydrophobicContact CE1-CG1 4.16Å; F243-I599 HydrophobicContact CZ-CB 4.16Å; F243-I599 HydrophobicContact CZ-CD1 4.42Å; F243-I599 HydrophobicContact CZ-CG2 4.38Å; H594-I599 HydrophobicContact CB-CD1 3.85Å; H594-I599 HydrophobicContact CB-CG1 3.48Å; H594-I599 VanDerWaalsContact CB-CG1 3.48Å; T595-I599 PolarHBondContact O-N 2.66Å; T595-I599 VanDerWaalsContact O-N 3.16Å; V596-I599 PolarHBondContact O-N 3.01Å; I599-M602 PolarHBondContact O-N 3.13Å; I599-H603 PolarHBondContact O-N 2.93Å; I599-H603 PolarHBondContact O-ND1 3.05Å
600	I	89	Confident	82.6	Confident	15 Å²	15	77.3 Å²	77.3	8%	0.077	39%	0.387	C	S	.	.	H	α-helix	trans	-65.3	-42.7	177.2	-65.1	155	0	0	0	110.5	P220 Y222 V596 N597 E598 M602 H603 Q604	P220-I600 HydrophobicContact CG-CD1 4.14Å; Y222-I600 HydrophobicContact CD1-CG2 4.32Å; Y222-I600 HydrophobicContact CD2-CD1 4.28Å; Y222-I600 HydrophobicContact CD2-CG1 4.24Å; Y222-I600 HydrophobicContact CD2-CG2 3.99Å; Y222-I600 HydrophobicContact CE1-CG2 4.13Å; Y222-I600 HydrophobicContact CE2-CB 4.39Å; Y222-I600 HydrophobicContact CE2-CD1 3.29Å; Y222-I600 HydrophobicContact CE2-CG1 3.71Å; Y222-I600 HydrophobicContact CE2-CG2 3.77Å; Y222-I600 HydrophobicContact CG-CG2 4.27Å; Y222-I600 WeakPolarHBondContact OH-CD1 3.33Å; V596-I600 HydrophobicContact CG1-CD1 3.49Å; V596-I600 VanDerWaalsContact CG1-CD1 3.49Å; V596-I600 WeakPolarHBondContact O-CD1 2.9Å; V596-I600 VanDerWaalsContact O-CG1 3.22Å; V596-I600 WeakPolarHBondContact O-CG1 3.41Å; V596-I600 PolarHBondContact O-N 3.5Å; N597-I600 PolarHBondContact O-N 3.3Å; E598-I600 VanDerWaalsContact C-N 3.34Å; E598-I600 PolarHBondContact O-N 3.27Å; I600-M602 PolarHBondContact O-N 3.39Å; I600-H603 WeakPolarHBondContact O-CB 3.41Å; I600-H603 PolarHBondContact O-N 3.35Å; I600-H603 VanDerWaalsContact O-N 3.17Å; I600-Q604 PolarHBondContact O-N 3.01Å
601	A	91.8	Very high	84.1	Confident	47 Å²	47	69.7 Å²	69.7	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-60.9	-44.1	176.3	0	0	0	0	0	111.7	N597 E598 H603 Q604 E605	N597-A601 VanDerWaalsContact O-CB 3.29Å; N597-A601 WeakPolarHBondContact O-CB 2.97Å; N597-A601 PolarHBondContact O-N 2.7Å; E598-A601 PolarHBondContact O-N 2.03Å; A601-H603 VanDerWaalsContact C-N 3.29Å; A601-H603 PolarHBondContact O-N 3.4Å; A601-Q604 WeakPolarHBondContact O-CB 3.32Å; A601-Q604 PolarHBondContact O-N 2.8Å; A601-E605 WeakPolarHBondContact O-CG 3.49Å; A601-E605 PolarHBondContact O-N 3.45Å
602	M	90.3	Very high	85.9	Confident	109 Å²	109	73.7 Å²	73.7	54%	0.537	37%	0.371	S	S	.	.	H	α-helix	trans	-60.3	-38.3	174.2	-71.3	177.2	64	0	0	112.5	E598 I599 I600 A606	E598-M602 WeakPolarHBondContact O-CG 3.34Å; E598-M602 PolarHBondContact O-N 3.35Å; I599-M602 PolarHBondContact O-N 3.13Å; I600-M602 PolarHBondContact O-N 3.39Å; M602-A606 PolarHBondContact O-N 3.44Å; M602-A606 VanDerWaalsContact O-N 3.11Å
603	H	91.2	Very high	87.7	Confident	28 Å²	28	66.5 Å²	66.5	13%	0.13	36%	0.356	C	S	.	.	H	α-helix	trans	-66.3	-45	174.3	-80.5	75.2	0	0	0	111.4	F179 F224 F241 I599 I600 A601 E605 A606 Y607	F179-H603 AromaticContact CD1-NE2 3.31Å; F179-H603 VanDerWaalsContact CD1-NE2 3.31Å; F179-H603 WeakPolarHBondContact CD1-NE2 3.4Å; F179-H603 AromaticContact CE1-NE2 3.36Å; F179-H603 WeakPolarHBondContact CE1-NE2 3.41Å; F224-H603 HydrophobicContact CZ-CB 4.5Å; F241-H603 HydrophobicContact CE1-CB 4.47Å; F241-H603 AromaticContact CE1-CD2 3.72Å; F241-H603 AromaticContact CE1-CE1 3.78Å; F241-H603 AromaticContact CE1-CG 3.73Å; F241-H603 AromaticContact CE1-ND1 3.77Å; F241-H603 AromaticContact CE1-NE2 3.75Å; F241-H603 HydrophobicContact CZ-CB 4.04Å; F241-H603 AromaticContact CZ-CD2 3.87Å; F241-H603 AromaticContact CZ-CG 3.76Å; I599-H603 PolarHBondContact O-N 2.93Å; I599-H603 PolarHBondContact O-ND1 3.05Å; I600-H603 WeakPolarHBondContact O-CB 3.41Å; I600-H603 PolarHBondContact O-N 3.35Å; I600-H603 VanDerWaalsContact O-N 3.17Å; A601-H603 VanDerWaalsContact C-N 3.29Å; A601-H603 PolarHBondContact O-N 3.4Å; H603-E605 VanDerWaalsContact C-N 3.35Å; H603-E605 PolarHBondContact O-N 3.01Å; H603-A606 WeakPolarHBondContact O-CB 3.41Å; H603-A606 PolarHBondContact O-N 3.44Å; H603-A606 VanDerWaalsContact O-N 3.13Å; H603-Y607 WeakPolarHBondContact O-CD2 3.49Å; H603-Y607 PolarHBondContact O-N 3.29Å; H603-Y607 VanDerWaalsContact O-N 3.1Å
604	Q	92.2	Very high	89.2	Confident	81 Å²	81	64.6 Å²	64.6	38%	0.379	34%	0.342	S	S	.	.	H	α-helix	trans	-57.1	-47.6	175.9	-179.3	64.4	44.7	0	0	111.4	F224 I600 A601 A606 Y607 D608	F224-Q604 HydrophobicContact CE1-CB 4.19Å; I600-Q604 PolarHBondContact O-N 3.01Å; A601-Q604 WeakPolarHBondContact O-CB 3.32Å; A601-Q604 PolarHBondContact O-N 2.8Å; Q604-A606 VanDerWaalsContact C-N 3.26Å; Q604-A606 PolarHBondContact O-N 3.12Å; Q604-Y607 WeakPolarHBondContact O-CB 3.49Å; Q604-Y607 PolarHBondContact O-N 3.34Å; Q604-Y607 VanDerWaalsContact O-N 3.07Å; Q604-D608 PolarHBondContact NE2-OD1 3.01Å; Q604-D608 PolarHBondContact O-N 3.41Å
605	E	94.1	Very high	90.3	Very high	115 Å²	115	62 Å²	62	54%	0.537	34%	0.338	S	S	.	.	H	α-helix	trans	-58.2	-38	176.4	-73.4	176.2	-175.7	0	0	112.1	A601 H603 D608 M609	A601-E605 WeakPolarHBondContact O-CG 3.49Å; A601-E605 PolarHBondContact O-N 3.45Å; H603-E605 VanDerWaalsContact C-N 3.35Å; H603-E605 PolarHBondContact O-N 3.01Å; E605-D608 PolarHBondContact O-N 2.92Å; E605-M609 WeakPolarHBondContact O-CB 3.29Å; E605-M609 WeakPolarHBondContact O-CG 3.49Å; E605-M609 PolarHBondContact O-N 2.89Å
606	A	92.7	Very high	90.7	Very high	51 Å²	51	64.8 Å²	64.8	42%	0.421	34%	0.344	S	S	.	.	H	α-helix	trans	-65.1	-38.3	175.8	0	0	0	0	0	112.9	M602 H603 Q604 R610	M602-A606 PolarHBondContact O-N 3.44Å; M602-A606 VanDerWaalsContact O-N 3.11Å; H603-A606 WeakPolarHBondContact O-CB 3.41Å; H603-A606 PolarHBondContact O-N 3.44Å; H603-A606 VanDerWaalsContact O-N 3.13Å; Q604-A606 VanDerWaalsContact C-N 3.26Å; Q604-A606 PolarHBondContact O-N 3.12Å; A606-R610 WeakPolarHBondContact O-CB 3.46Å; A606-R610 PolarHBondContact O-N 2.93Å; A606-R610 VanDerWaalsContact O-N 3.11Å
607	Y	91.9	Very high	90.9	Very high	12 Å²	12	69.2 Å²	69.2	5%	0.047	36%	0.361	C	S	.	.	H	α-helix	trans	-65.7	-44.4	172.3	-85.6	-102.9	0	0	0	111.2	K181 F224 M226 D237 H603 Q604 M609 R610 N611	K181-Y607 WeakPolarHBondContact CD-OH 3.42Å; K181-Y607 VanDerWaalsContact CE-OH 3.28Å; K181-Y607 WeakPolarHBondContact CE-OH 3.28Å; K181-Y607 PolarHBondContact NZ-OH 3.4Å; F224-Y607 HydrophobicContact CB-CD1 3.79Å; F224-Y607 HydrophobicContact CB-CD2 4.46Å; F224-Y607 HydrophobicContact CB-CE1 3.6Å; F224-Y607 HydrophobicContact CB-CE2 4.33Å; F224-Y607 HydrophobicContact CB-CG 4.23Å; F224-Y607 HydrophobicContact CD1-CD2 4.21Å; F224-Y607 HydrophobicContact CD1-CG 4.34Å; F224-Y607 HydrophobicContact CD2-CE2 4.22Å; F224-Y607 HydrophobicContact CG-CD1 4.41Å; F224-Y607 HydrophobicContact CG-CD2 4.24Å; F224-Y607 HydrophobicContact CG-CE1 4.29Å; F224-Y607 HydrophobicContact CG-CE2 4.13Å; F224-Y607 HydrophobicContact CG-CG 4.4Å; M226-Y607 HydrophobicContact CB-CD1 4.22Å; M226-Y607 HydrophobicContact CB-CE1 4.1Å; D237-Y607 WeakPolarHBondContact OD2-CE1 3.35Å; D237-Y607 VanDerWaalsContact OD2-CZ 3.3Å; D237-Y607 PolarHBondContact OD2-OH 3.03Å; H603-Y607 WeakPolarHBondContact O-CD2 3.49Å; H603-Y607 PolarHBondContact O-N 3.29Å; H603-Y607 VanDerWaalsContact O-N 3.1Å; Q604-Y607 WeakPolarHBondContact O-CB 3.49Å; Q604-Y607 PolarHBondContact O-N 3.34Å; Q604-Y607 VanDerWaalsContact O-N 3.07Å; Y607-M609 PolarHBondContact O-N 3.49Å; Y607-R610 PolarHBondContact O-N 3.01Å; Y607-N611 WeakPolarHBondContact O-CB 3.28Å; Y607-N611 VanDerWaalsContact O-CG 3.23Å; Y607-N611 PolarHBondContact O-N 3.4Å
608	D	93	Very high	90.9	Very high	67 Å²	67	64.8 Å²	64.8	36%	0.358	34%	0.339	S	S	.	.	H	α-helix	trans	-62.8	-44.3	-179.5	-66.1	-20.6	0	0	0	111.4	Q604 E605 R610 N611 Q612	Q604-D608 PolarHBondContact NE2-OD1 3.01Å; Q604-D608 PolarHBondContact O-N 3.41Å; E605-D608 PolarHBondContact O-N 2.92Å; D608-R610 PolarHBondContact O-N 3.07Å; D608-N611 PolarHBondContact O-N 3.48Å; D608-Q612 WeakPolarHBondContact O-CB 3.39Å; D608-Q612 VanDerWaalsContact O-CG 3.24Å; D608-Q612 WeakPolarHBondContact O-CG 3.4Å; D608-Q612 PolarHBondContact O-N 3.01Å
609	M	94.2	Very high	90.7	Very high	120 Å²	120	68.8 Å²	68.8	59%	0.591	36%	0.359	S	S	*	.	H	α-helix	trans	-61.6	-43.3	175.1	-75.3	-171.8	-72.8	0	0	112.3	E605 Y607 Q612 A613	E605-M609 WeakPolarHBondContact O-CB 3.29Å; E605-M609 WeakPolarHBondContact O-CG 3.49Å; E605-M609 PolarHBondContact O-N 2.89Å; Y607-M609 PolarHBondContact O-N 3.49Å; M609-Q612 PolarHBondContact O-N 3.39Å; M609-A613 PolarHBondContact O-N 3.46Å
610	R	92.2	Very high	90.5	Very high	106 Å²	106	74.4 Å²	74.4	40%	0.4	39%	0.387	S	S	.	.	H	α-helix	trans	-63	-48.8	176.3	-178.6	-176.9	177.4	-168	-0.2	111.1	A606 Y607 D608 Q612 A613 V614	A606-R610 WeakPolarHBondContact O-CB 3.46Å; A606-R610 PolarHBondContact O-N 2.93Å; A606-R610 VanDerWaalsContact O-N 3.11Å; Y607-R610 PolarHBondContact O-N 3.01Å; D608-R610 PolarHBondContact O-N 3.07Å; R610-Q612 VanDerWaalsContact C-N 3.3Å; R610-Q612 PolarHBondContact O-N 2.77Å; R610-A613 WeakPolarHBondContact O-CB 3.4Å; R610-A613 VanDerWaalsContact O-N 3.08Å; R610-A613 PolarHBondContact O-N 2.96Å; R610-V614 WeakPolarHBondContact O-CG2 3.28Å; R610-V614 PolarHBondContact O-N 3Å
611	N	92.4	Very high	89.8	Confident	29 Å²	29	75.4 Å²	75.4	16%	0.155	40%	0.401	C	S	.	.	H	α-helix	trans	-60.5	-41	179.9	-73.7	-12.3	0	0	0	110.9	V225 L227 Y607 D608 A613 V614 A615	V225-N611 PolarHBondContact O-ND2 2.95Å; L227-N611 HydrophobicContact CD1-CB 3.86Å; L227-N611 WeakPolarHBondContact CD1-O 3.18Å; L227-N611 HydrophobicContact CG-CB 4.21Å; L227-N611 PolarHBondContact N-OD1 3.04Å; Y607-N611 WeakPolarHBondContact O-CB 3.28Å; Y607-N611 VanDerWaalsContact O-CG 3.23Å; Y607-N611 PolarHBondContact O-N 3.4Å; D608-N611 PolarHBondContact O-N 3.48Å; N611-A613 PolarHBondContact O-N 2.98Å; N611-V614 PolarHBondContact O-N 2.86Å; N611-A615 VanDerWaalsContact O-CB 3.29Å; N611-A615 PolarHBondContact O-N 2.84Å; N611-A615 WeakPolarHBondContact O-CB 3.28Å
612	Q	91.5	Very high	88.3	Confident	115 Å²	115	81.2 Å²	81.2	54%	0.537	41%	0.414	S	S	.	.	H	α-helix	trans	-62.8	-39.1	173.3	-74.3	177.1	13.2	0	0	113	D608 M609 R610 K616	D608-Q612 WeakPolarHBondContact O-CB 3.39Å; D608-Q612 VanDerWaalsContact O-CG 3.24Å; D608-Q612 WeakPolarHBondContact O-CG 3.4Å; D608-Q612 PolarHBondContact O-N 3.01Å; M609-Q612 PolarHBondContact O-N 3.39Å; R610-Q612 VanDerWaalsContact C-N 3.3Å; R610-Q612 PolarHBondContact O-N 2.77Å; Q612-K616 WeakPolarHBondContact O-CB 3.34Å; Q612-K616 VanDerWaalsContact O-CG 3.3Å; Q612-K616 WeakPolarHBondContact O-CG 3.45Å; Q612-K616 PolarHBondContact O-N 3.14Å
613	A	91.5	Very high	86.9	Confident	57 Å²	57	80.2 Å²	80.2	47%	0.471	42%	0.418	S	S	.	.	H	α-helix	trans	-65.4	-46.5	177.6	0	0	0	0	0	111.8	M609 R610 N611 K616 Q617	M609-A613 PolarHBondContact O-N 3.46Å; R610-A613 WeakPolarHBondContact O-CB 3.4Å; R610-A613 VanDerWaalsContact O-N 3.08Å; R610-A613 PolarHBondContact O-N 2.96Å; N611-A613 PolarHBondContact O-N 2.98Å; A613-K616 PolarHBondContact O-N 3.16Å; A613-Q617 PolarHBondContact O-N 3.47Å
614	V	89.9	Confident	85.4	Confident	12 Å²	12	87.8 Å²	87.8	7%	0.073	45%	0.45	C	S	.	.	H	α-helix	trans	-62.3	-45.6	176.5	174.4	0	0	0	0	110.7	L227 S228 R610 N611 K616 Q617 C618	L227-V614 HydrophobicContact CB-CB 4.29Å; L227-V614 HydrophobicContact CB-CG1 3.95Å; S228-V614 VanDerWaalsContact O-CG1 3.24Å; S228-V614 WeakPolarHBondContact O-CG1 3.48Å; R610-V614 WeakPolarHBondContact O-CG2 3.28Å; R610-V614 PolarHBondContact O-N 3Å; N611-V614 PolarHBondContact O-N 2.86Å; V614-K616 VanDerWaalsContact C-N 3.32Å; V614-K616 PolarHBondContact O-N 2.86Å; V614-Q617 WeakPolarHBondContact O-CB 3.48Å; V614-Q617 PolarHBondContact O-N 2.99Å; V614-Q617 VanDerWaalsContact O-N 3.14Å; V614-C618 VanDerWaalsContact O-SG 3.39Å; V614-C618 PolarHBondContact O-SG 3.43Å; V614-C618 PolarHBondContact O-N 2.86Å
615	A	88.9	Confident	83.7	Confident	44 Å²	44	89.8 Å²	89.8	36%	0.364	47%	0.468	S	S	.	.	H	α-helix	trans	-58.6	-42.7	176.8	0	0	0	0	0	112.1	L227 N611 C618 M619	L227-A615 HydrophobicContact CD1-CB 4.38Å; N611-A615 VanDerWaalsContact O-CB 3.29Å; N611-A615 PolarHBondContact O-N 2.84Å; N611-A615 WeakPolarHBondContact O-CB 3.28Å; A615-C618 WeakPolarHBondContact O-CB 3.25Å; A615-C618 PolarHBondContact O-N 3.48Å; A615-M619 WeakPolarHBondContact O-CG 3.36Å; A615-M619 PolarHBondContact O-N 2.77Å
616	K	89.7	Confident	81.5	Confident	129 Å²	129	92.8 Å²	92.8	56%	0.561	49%	0.486	S	S	*	.	H	α-helix	trans	-62.5	-43.5	174.7	-76.1	173.5	-177.5	175.7	0	112.1	Q612 A613 V614 C618 M619 M620	Q612-K616 WeakPolarHBondContact O-CB 3.34Å; Q612-K616 VanDerWaalsContact O-CG 3.3Å; Q612-K616 WeakPolarHBondContact O-CG 3.45Å; Q612-K616 PolarHBondContact O-N 3.14Å; A613-K616 PolarHBondContact O-N 3.16Å; V614-K616 VanDerWaalsContact C-N 3.32Å; V614-K616 PolarHBondContact O-N 2.86Å; K616-C618 VanDerWaalsContact C-N 3.3Å; K616-C618 PolarHBondContact O-N 3.2Å; K616-M619 PolarHBondContact O-N 3.31Å; K616-M620 HydrophobicContact CB-CE 4.41Å; K616-M620 WeakPolarHBondContact O-CG 3.35Å; K616-M620 PolarHBondContact O-N 3.35Å
617	Q	88.5	Confident	81	Confident	136 Å²	136	94.9 Å²	94.9	64%	0.636	49%	0.49	S	S	*	.	H	α-helix	trans	-61	-41.8	177.5	-177.2	172.3	-11.7	0	0	111.4	A613 V614 M620 G621	A613-Q617 PolarHBondContact O-N 3.47Å; V614-Q617 WeakPolarHBondContact O-CB 3.48Å; V614-Q617 PolarHBondContact O-N 2.99Å; V614-Q617 VanDerWaalsContact O-N 3.14Å; Q617-M620 PolarHBondContact O-N 3.18Å; Q617-G621 PolarHBondContact O-N 2.97Å
618	C	87.5	Confident	80.4	Confident	21 Å²	21	99.3 Å²	99.3	14%	0.142	51%	0.513	C	S	.	.	H	α-helix	trans	-61.5	-44	175.3	-74.3	0	0	0	0	113.1	C231 V614 A615 K616 G621 Y622	C231-C618 WeakPolarHBondContact CA-SG 3.46Å; C231-C618 HydrophobicContact CB-CB 3.71Å; C231-C618 WeakPolarHBondContact CB-SG 3.28Å; C231-C618 WeakPolarHBondContact SG-CA 3.38Å; C231-C618 WeakPolarHBondContact SG-CB 3.4Å; C231-C618 CovalentContact SG-SG 2.03Å; C231-C618 PolarHBondContact SG-SG 3.16Å; V614-C618 VanDerWaalsContact O-SG 3.39Å; V614-C618 PolarHBondContact O-SG 3.43Å; V614-C618 PolarHBondContact O-N 2.86Å; A615-C618 WeakPolarHBondContact O-CB 3.25Å; A615-C618 PolarHBondContact O-N 3.48Å; K616-C618 VanDerWaalsContact C-N 3.3Å; K616-C618 PolarHBondContact O-N 3.2Å; C618-G621 PolarHBondContact O-N 3.03Å; C618-Y622 PolarHBondContact O-N 3.3Å
619	M	85.1	Confident	79.7	Confident	143 Å²	143	101.1 Å²	101.1	70%	0.704	52%	0.521	S	S	*	.	H	α-helix	trans	-64.2	-40.9	176.7	-67.6	-61.8	-68.4	0	0	112.4	A615 K616 Y622 S623	A615-M619 WeakPolarHBondContact O-CG 3.36Å; A615-M619 PolarHBondContact O-N 2.77Å; K616-M619 PolarHBondContact O-N 3.31Å; M619-Y622 PolarHBondContact O-N 3.25Å; M619-S623 PolarHBondContact O-N 3.27Å; M619-S623 VanDerWaalsContact O-N 3.11Å
620	M	82.2	Confident	78.8	Confident	125 Å²	125	99.9 Å²	99.9	62%	0.616	52%	0.517	S	S	*	.	H	α-helix	trans	-68.5	-37.4	176.9	-68.1	-173.5	-147.7	0	0	112.7	K616 Q617 S623 K624	K616-M620 HydrophobicContact CB-CE 4.41Å; K616-M620 WeakPolarHBondContact O-CG 3.35Å; K616-M620 PolarHBondContact O-N 3.35Å; Q617-M620 PolarHBondContact O-N 3.18Å; M620-S623 PolarHBondContact O-N 3.09Å; M620-K624 PolarHBondContact O-N 3.18Å
621	G	74.5	Confident	78	Confident	36 Å²	36	99.6 Å²	99.6	37%	0.371	53%	0.525	S	S	.	.	H	α-helix	trans	-62.7	-45.8	174.6	0	0	0	0	0	111.5	Q617 C618 S623 K624 T625	Q617-G621 PolarHBondContact O-N 2.97Å; C618-G621 PolarHBondContact O-N 3.03Å; G621-S623 VanDerWaalsContact C-N 3.28Å; G621-S623 PolarHBondContact O-N 3.39Å; G621-K624 PolarHBondContact O-N 3.11Å; G621-T625 PolarHBondContact O-N 3.4Å; G621-T625 PolarHBondContact O-OG1 3.48Å
622	Y	61.2	Low	77	Confident	170 Å²	170	104.3 Å²	104.3	67%	0.667	55%	0.549	S	S	*	.	H	α-helix	trans	-59.5	-41	176.6	-138.6	-95.1	0	0	0	111.8	C618 M619 K624 T625 I626	C618-Y622 PolarHBondContact O-N 3.3Å; M619-Y622 PolarHBondContact O-N 3.25Å; Y622-K624 PolarHBondContact O-N 3.4Å; Y622-T625 PolarHBondContact O-N 3.14Å; Y622-T625 VanDerWaalsContact O-N 3.14Å; Y622-I626 HydrophobicContact CD1-CD1 3.86Å; Y622-I626 HydrophobicContact CD1-CG1 4.39Å; Y622-I626 HydrophobicContact CE1-CD1 4.14Å; Y622-I626 PolarHBondContact O-N 3.22Å
623	S	60.1	Low	76	Confident	88 Å²	88	103.5 Å²	103.5	62%	0.615	55%	0.55	S	S	*	*	H	α-helix	trans	-68.6	-15.2	176.5	-171	0	0	0	0	114.9	M619 M620 G621	M619-S623 PolarHBondContact O-N 3.27Å; M619-S623 VanDerWaalsContact O-N 3.11Å; M620-S623 PolarHBondContact O-N 3.09Å; G621-S623 VanDerWaalsContact C-N 3.28Å; G621-S623 PolarHBondContact O-N 3.39Å
624	K	59.6	Low	74.8	Confident	186 Å²	186	107.1 Å²	107.1	81%	0.809	56%	0.556	S	S	*	*	H	α-helix	trans	-92.1	-13	172.8	-76.6	-174.6	178	-178.6	0	113.3	M620 G621 Y622	M620-K624 PolarHBondContact O-N 3.18Å; G621-K624 PolarHBondContact O-N 3.11Å; Y622-K624 PolarHBondContact O-N 3.4Å
625	T	56.9	Low	73.5	Confident	124 Å²	124	115 Å²	115	76%	0.761	60%	0.596	S	S	*	*	H	α-helix	trans	-102.1	-17.6	-176.3	-22	0	0	0	0	112.2	G621 Y622	G621-T625 PolarHBondContact O-N 3.4Å; G621-T625 PolarHBondContact O-OG1 3.48Å; Y622-T625 PolarHBondContact O-N 3.14Å; Y622-T625 VanDerWaalsContact O-N 3.14Å
626	I	48.3	Very low	72.2	Confident	178 Å²	178	121.5 Å²	121.5	91%	0.913	62%	0.618	S	S	*	*			trans	-85.3	0	161.2	-56.6	170.7	0	0	0	107.6	Y622	Y622-I626 HydrophobicContact CD1-CD1 3.86Å; Y622-I626 HydrophobicContact CD1-CG1 4.39Å; Y622-I626 HydrophobicContact CE1-CD1 4.14Å; Y622-I626 PolarHBondContact O-N 3.22Å

Retrieved 626 of 626 residues in 209.7 ms (Link to these results)

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