A0A096MDP3_POEFO Loading...

BUB1 mitotic checkpoint serine/threonine kinase Bb

AlphaFold DB , UniProt , Accession A0A096MDP3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 292 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	41.5	Very low	46.6	Very low	250 Å²	250	166.4 Å²	166.4	100%	1.232	81%	0.81	S	S	*	*				0	46.8	0	-146	163.3	-168.5	0	0	110
2	S	43.7	Very low	46.5	Very low	111 Å²	111	169.5 Å²	169.5	78%	0.776	81%	0.809	S	S	*	*			trans	-141.8	92.6	-179.3	-72.7	0	0	0	0	105.9
3	D	46.5	Very low	46.8	Very low	140 Å²	140	163.7 Å²	163.7	75%	0.749	79%	0.785	S	S	*	*			trans	178.3	48.7	163.2	-99.5	-21.8	0	0	0	111.2
4	R	46.3	Very low	47.3	Very low	223 Å²	223	166.1 Å²	166.1	84%	0.842	79%	0.79	S	S	*	*	S	Bend	trans	-134	24.7	173.3	-70.5	-158.2	-133.5	-153.5	5	114.4
5	F	49	Very low	48.1	Very low	198 Å²	198	159.9 Å²	159.9	87%	0.868	77%	0.768	S	S	*	*	S	Bend	trans	-110.9	-3.2	173.3	-83.3	-76.4	0	0	0	114.4
6	L	48.8	Very low	49	Very low	141 Å²	141	151.4 Å²	151.4	74%	0.738	73%	0.73	S	S	*	*	S	Bend	trans	-101.4	-1	-177.8	-74.1	169.5	0	0	0	115.4
7	Y	44.8	Very low	50	Low	205 Å²	205	146.1 Å²	146.1	80%	0.804	71%	0.709	S	S	*	*	S	Bend	trans	-111.5	12.4	-176	-73.4	-77.3	0	0	0	115.6
8	I	45.9	Very low	51.4	Low	149 Å²	149	141.7 Å²	141.7	76%	0.764	69%	0.689	S	S	*	*	S	Bend	trans	-118.3	31.8	176	-41	178.1	0	0	0	111.5
9	L	50.8	Low	52.9	Low	108 Å²	108	137 Å²	137	57%	0.565	67%	0.667	S	S	*	*			trans	-134.8	49.3	-178.1	-82.3	171.1	0	0	0	114.8
10	P	49.2	Very low	54.4	Low	113 Å²	113	130.2 Å²	130.2	73%	0.734	63%	0.634	S	S	*	*	S	Bend	trans	-138.1	22.1	152.8	40.5	-26.8	0	0	0	115.7
11	F	45.8	Very low	55.9	Low	192 Å²	192	127.2 Å²	127.2	84%	0.842	62%	0.624	S	S	*	*	S	Bend	trans	-121.9	-3.7	-176.7	-128.5	-93.5	0	0	0	117.3
12	Y	46	Very low	58.1	Low	204 Å²	204	120.3 Å²	120.3	80%	0.8	58%	0.584	S	S	*	*	S	Bend	trans	-132.2	24.9	-172.9	-105.3	-85.9	0	0	0	115.4
13	L	50.2	Low	60.2	Low	94 Å²	94	116 Å²	116	49%	0.492	55%	0.551	S	S	.	*			trans	-107.2	48.9	172	-71.4	167.4	0	0	0	110.7	I19	L13-I19 HydrophobicContact CD2-CG1 4.16Å
14	K	53.2	Low	62.1	Low	198 Å²	198	110.7 Å²	110.7	86%	0.861	52%	0.523	S	S	*	.			trans	-101.9	-3.5	-175.8	-156.6	156.3	-176.7	172.2	0	114.2
15	T	59.9	Low	64.1	Low	73 Å²	73	109.6 Å²	109.6	45%	0.448	52%	0.518	S	S	.	.	S	Bend	trans	-126.5	139.4	170.6	80.2	0	0	0	0	110.9	V17 D18	T15-V17 PolarHBondContact O-N 3.45Å; T15-D18 WeakPolarHBondContact O-CB 3.42Å; T15-D18 PolarHBondContact O-N 2.74Å; T15-D18 VanDerWaalsContact O-N 3.12Å; T15-D18 VanDerWaalsContact OG1-CG 3.22Å; T15-D18 PolarHBondContact OG1-OD2 3.2Å
16	S	62.6	Low	66	Low	24 Å²	24	104.5 Å²	104.5	17%	0.168	49%	0.494	C	S	.	.	H	α-helix	trans	-64.1	-23	-176.9	172.1	0	0	0	0	112.5	D18 I19 I20 E57 Y60	S16-D18 PolarHBondContact O-N 2.85Å; S16-I19 WeakPolarHBondContact O-CB 3.01Å; S16-I19 PolarHBondContact O-N 2.78Å; S16-I20 PolarHBondContact O-N 3.41Å; S16-E57 WeakPolarHBondContact CB-OE2 3.44Å; S16-E57 PolarHBondContact OG-OE2 2.75Å; S16-Y60 WeakPolarHBondContact CA-OH 3.47Å; S16-Y60 WeakPolarHBondContact CB-OH 3.37Å; S16-Y60 WeakPolarHBondContact OG-CE2 3.4Å; S16-Y60 VanDerWaalsContact OG-CZ 3.27Å; S16-Y60 PolarHBondContact OG-OH 2.88Å
17	V	66.6	Low	67.8	Low	61 Å²	61	97.9 Å²	97.9	37%	0.37	46%	0.459	S	S	.	.	H	α-helix	trans	-62.8	-39.6	172.9	-175.5	0	0	0	0	112	T15 I19 V21 Y60	T15-V17 PolarHBondContact O-N 3.45Å; V17-I19 PolarHBondContact O-N 2.71Å; V17-V21 PolarHBondContact O-N 3.05Å; V17-Y60 HydrophobicContact CG2-CE1 3.96Å; V17-Y60 WeakPolarHBondContact CG2-OH 3.38Å; V17-Y60 PolarHBondContact N-OH 3.39Å
18	D	73.6	Confident	69.9	Low	67 Å²	67	93.9 Å²	93.9	36%	0.358	45%	0.446	S	S	.	.	H	α-helix	trans	-66.6	-29.1	179.3	-63	-42.7	0	0	0	111.6	T15 S16 W22	T15-D18 WeakPolarHBondContact O-CB 3.42Å; T15-D18 PolarHBondContact O-N 2.74Å; T15-D18 VanDerWaalsContact O-N 3.12Å; T15-D18 VanDerWaalsContact OG1-CG 3.22Å; T15-D18 PolarHBondContact OG1-OD2 3.2Å; S16-D18 PolarHBondContact O-N 2.85Å; D18-W22 WeakPolarHBondContact O-CB 3.31Å; D18-W22 PolarHBondContact O-N 3.45Å
19	I	81.1	Confident	71.9	Confident	52 Å²	52	92.9 Å²	92.9	27%	0.267	43%	0.433	S	S	.	.	H	α-helix	trans	-72.9	-41.8	-176.7	-49.2	179.3	0	0	0	110.5	L13 S16 V17 V21 W22 F23 F54	L13-I19 HydrophobicContact CD2-CG1 4.16Å; S16-I19 WeakPolarHBondContact O-CB 3.01Å; S16-I19 PolarHBondContact O-N 2.78Å; V17-I19 PolarHBondContact O-N 2.71Å; I19-V21 VanDerWaalsContact C-N 3.33Å; I19-V21 PolarHBondContact O-N 3.49Å; I19-W22 WeakPolarHBondContact O-CB 3.36Å; I19-W22 PolarHBondContact O-N 2.69Å; I19-F23 HydrophobicContact CG2-CD2 3.84Å; I19-F23 HydrophobicContact CG2-CE2 3.62Å; I19-F23 VanDerWaalsContact O-CD2 3.26Å; I19-F23 WeakPolarHBondContact O-CD2 3.31Å; I19-F23 PolarHBondContact O-N 3.06Å; I19-F54 HydrophobicContact CB-CE1 4.14Å; I19-F54 HydrophobicContact CB-CZ 3.85Å; I19-F54 HydrophobicContact CG2-CE1 4.25Å; I19-F54 HydrophobicContact CG2-CZ 3.64Å
20	I	82.7	Confident	73.7	Confident	0 Å²	0	88 Å²	88	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-63.3	-40.9	176.4	-65.9	177.3	0	0	0	111.1	S16 W22 F23 N24 F54 Y60 R65 L69	S16-I20 PolarHBondContact O-N 3.41Å; I20-W22 VanDerWaalsContact C-N 3.32Å; I20-F23 PolarHBondContact O-N 3.38Å; I20-N24 WeakPolarHBondContact O-CB 3.45Å; I20-N24 PolarHBondContact O-N 3.17Å; I20-N24 PolarHBondContact O-ND2 2.93Å; I20-F54 HydrophobicContact CB-CZ 4.37Å; I20-F54 HydrophobicContact CD1-CD1 4.15Å; I20-F54 HydrophobicContact CD1-CE1 4.15Å; I20-F54 HydrophobicContact CD1-CG 4.4Å; I20-F54 HydrophobicContact CD1-CZ 4.41Å; I20-F54 HydrophobicContact CG1-CD1 3.94Å; I20-F54 HydrophobicContact CG1-CD2 4.08Å; I20-F54 HydrophobicContact CG1-CE1 3.5Å; I20-F54 VanDerWaalsContact CG1-CE1 3.5Å; I20-F54 HydrophobicContact CG1-CE2 3.69Å; I20-F54 HydrophobicContact CG1-CG 4.22Å; I20-F54 HydrophobicContact CG1-CZ 3.36Å; I20-Y60 HydrophobicContact CD1-CD1 3.14Å; I20-Y60 HydrophobicContact CD1-CD2 4.25Å; I20-Y60 HydrophobicContact CD1-CE1 3.64Å; I20-Y60 HydrophobicContact CD1-CG 3.47Å; I20-Y60 VanDerWaalsContact CD1-CG 3.47Å; I20-R65 HydrophobicContact CG2-CB 3.92Å; I20-L69 HydrophobicContact CG2-CD1 4.27Å
21	V	85.2	Confident	75.5	Confident	69 Å²	69	86.1 Å²	86.1	42%	0.418	39%	0.389	S	S	.	.	H	α-helix	trans	-63.5	-42.3	176.3	176.5	0	0	0	0	110.5	V17 I19 N24 R25 R65	V17-V21 PolarHBondContact O-N 3.05Å; I19-V21 VanDerWaalsContact C-N 3.33Å; I19-V21 PolarHBondContact O-N 3.49Å; V21-N24 PolarHBondContact O-N 3.48Å; V21-R25 PolarHBondContact O-N 3.46Å; V21-R65 VanDerWaalsContact CG2-NH1 3.28Å
22	W	87.3	Confident	77.6	Confident	104 Å²	104	84.2 Å²	84.2	39%	0.394	38%	0.383	S	S	.	.	H	α-helix	trans	-61	-47.6	176	-175.8	90.7	0	0	0	111.9	D18 I19 I20 N24 R25 Y26	D18-W22 WeakPolarHBondContact O-CB 3.31Å; D18-W22 PolarHBondContact O-N 3.45Å; I19-W22 WeakPolarHBondContact O-CB 3.36Å; I19-W22 PolarHBondContact O-N 2.69Å; I20-W22 VanDerWaalsContact C-N 3.32Å; W22-N24 PolarHBondContact O-N 3.19Å; W22-R25 PolarHBondContact O-N 3.12Å; W22-Y26 AromaticContact CH2-CD1 3.83Å; W22-Y26 HydrophobicContact CH2-CD1 3.83Å; W22-Y26 HydrophobicContact CH2-CE1 4.31Å; W22-Y26 HydrophobicContact CH2-CG 4.09Å; W22-Y26 HydrophobicContact CZ2-CG 4.37Å; W22-Y26 HydrophobicContact CZ3-CD1 4.1Å; W22-Y26 HydrophobicContact CZ3-CG 4.43Å; W22-Y26 WeakPolarHBondContact O-CB 3.37Å; W22-Y26 PolarHBondContact O-N 3.15Å
23	F	88.6	Confident	79.5	Confident	21 Å²	21	77.4 Å²	77.4	9%	0.092	36%	0.362	C	S	.	.	H	α-helix	trans	-59.3	-46.2	176.6	-85.6	-67.4	0	0	0	112.1	I19 I20 R25 Y26 I27 L46 A50 F54	I19-F23 HydrophobicContact CG2-CD2 3.84Å; I19-F23 HydrophobicContact CG2-CE2 3.62Å; I19-F23 VanDerWaalsContact O-CD2 3.26Å; I19-F23 WeakPolarHBondContact O-CD2 3.31Å; I19-F23 PolarHBondContact O-N 3.06Å; I20-F23 PolarHBondContact O-N 3.38Å; F23-R25 VanDerWaalsContact C-N 3.34Å; F23-R25 PolarHBondContact O-N 3.19Å; F23-Y26 PolarHBondContact O-N 3.2Å; F23-I27 WeakPolarHBondContact O-CB 3.44Å; F23-I27 WeakPolarHBondContact O-CD1 3.48Å; F23-I27 WeakPolarHBondContact O-CG1 3.39Å; F23-I27 PolarHBondContact O-N 3.04Å; F23-L46 HydrophobicContact CD1-CD1 4.06Å; F23-L46 HydrophobicContact CE1-CD1 3.96Å; F23-A50 HydrophobicContact CB-CB 4.37Å; F23-A50 HydrophobicContact CD1-CB 3.63Å; F23-A50 HydrophobicContact CD2-CB 4.33Å; F23-A50 HydrophobicContact CE1-CB 3.9Å; F23-A50 HydrophobicContact CG-CB 3.88Å; F23-A50 HydrophobicContact CZ-CB 4.36Å; F23-F54 AromaticContact CD2-CE2 3.62Å; F23-F54 HydrophobicContact CD2-CE2 3.62Å; F23-F54 AromaticContact CD2-CZ 3.86Å; F23-F54 HydrophobicContact CD2-CZ 3.86Å; F23-F54 AromaticContact CE2-CE2 3.84Å; F23-F54 HydrophobicContact CE2-CE2 3.84Å; F23-F54 HydrophobicContact CE2-CZ 4.01Å
24	N	86.4	Confident	81.2	Confident	28 Å²	28	76.9 Å²	76.9	15%	0.15	36%	0.356	C	S	.	.	H	α-helix	trans	-58.7	-44.1	177.3	-88.6	-73.8	0	0	0	112.5	I20 V21 W22 K28	I20-N24 WeakPolarHBondContact O-CB 3.45Å; I20-N24 PolarHBondContact O-N 3.17Å; I20-N24 PolarHBondContact O-ND2 2.93Å; V21-N24 PolarHBondContact O-N 3.48Å; W22-N24 PolarHBondContact O-N 3.19Å; N24-K28 WeakPolarHBondContact O-CG 3.36Å; N24-K28 PolarHBondContact O-N 3.09Å; N24-K28 VanDerWaalsContact O-N 3.08Å
25	R	88.4	Confident	82.5	Confident	200 Å²	200	73 Å²	73	76%	0.755	35%	0.351	S	S	*	.	H	α-helix	trans	-65.7	-41.3	176.9	-176.6	176	179.6	176.5	0.3	111.6	V21 W22 F23 K28 W29	V21-R25 PolarHBondContact O-N 3.46Å; W22-R25 PolarHBondContact O-N 3.12Å; F23-R25 VanDerWaalsContact C-N 3.34Å; F23-R25 PolarHBondContact O-N 3.19Å; R25-K28 PolarHBondContact O-N 3.06Å; R25-W29 WeakPolarHBondContact O-CB 3.44Å; R25-W29 PolarHBondContact O-N 2.98Å
26	Y	88.2	Confident	83.2	Confident	92 Å²	92	78.9 Å²	78.9	36%	0.361	37%	0.374	S	S	.	.	H	α-helix	trans	-67.4	-42.3	-178.9	-170.9	-129.3	0	0	0	111.4	W22 F23 K28 W29 T30 L46	W22-Y26 AromaticContact CH2-CD1 3.83Å; W22-Y26 HydrophobicContact CH2-CD1 3.83Å; W22-Y26 HydrophobicContact CH2-CE1 4.31Å; W22-Y26 HydrophobicContact CH2-CG 4.09Å; W22-Y26 HydrophobicContact CZ2-CG 4.37Å; W22-Y26 HydrophobicContact CZ3-CD1 4.1Å; W22-Y26 HydrophobicContact CZ3-CG 4.43Å; W22-Y26 WeakPolarHBondContact O-CB 3.37Å; W22-Y26 PolarHBondContact O-N 3.15Å; F23-Y26 PolarHBondContact O-N 3.2Å; Y26-K28 PolarHBondContact O-N 3.07Å; Y26-W29 AromaticContact CD2-CE3 3.94Å; Y26-W29 HydrophobicContact CD2-CE3 3.94Å; Y26-W29 HydrophobicContact CD2-CZ3 4.5Å; Y26-W29 AromaticContact CE2-CE3 3.65Å; Y26-W29 HydrophobicContact CE2-CE3 3.65Å; Y26-W29 AromaticContact CE2-CZ3 3.76Å; Y26-W29 HydrophobicContact CE2-CZ3 3.76Å; Y26-W29 WeakPolarHBondContact O-CB 3.37Å; Y26-W29 PolarHBondContact O-N 3.26Å; Y26-T30 PolarHBondContact O-N 3.29Å; Y26-T30 PolarHBondContact O-OG1 3.09Å; Y26-T30 VanDerWaalsContact O-OG1 3.07Å; Y26-L46 HydrophobicContact CD1-CD1 3.61Å; Y26-L46 HydrophobicContact CD1-CD2 3.35Å; Y26-L46 HydrophobicContact CD1-CG 4.1Å; Y26-L46 HydrophobicContact CE1-CD1 3.7Å; Y26-L46 HydrophobicContact CE1-CD2 3.57Å; Y26-L46 HydrophobicContact CE1-CG 4.26Å; Y26-L46 HydrophobicContact CG-CD2 4.27Å
27	I	88.3	Confident	83.4	Confident	1 Å²	1	80 Å²	80	1%	0.005	39%	0.389	C	S	.	.	H	α-helix	trans	-60.1	-47.5	173.8	-73.2	160	0	0	0	111.3	F23 W29 T30 E31 L43 L46 L47 L69 K72	F23-I27 WeakPolarHBondContact O-CB 3.44Å; F23-I27 WeakPolarHBondContact O-CD1 3.48Å; F23-I27 WeakPolarHBondContact O-CG1 3.39Å; F23-I27 PolarHBondContact O-N 3.04Å; I27-W29 VanDerWaalsContact C-N 3.29Å; I27-W29 PolarHBondContact O-N 3.38Å; I27-T30 WeakPolarHBondContact O-CB 3.45Å; I27-T30 PolarHBondContact O-N 3.31Å; I27-T30 VanDerWaalsContact O-N 3.11Å; I27-E31 WeakPolarHBondContact O-CG 3.3Å; I27-E31 PolarHBondContact O-N 3.33Å; I27-L43 HydrophobicContact CG1-CD1 4.43Å; I27-L43 HydrophobicContact CG2-CD1 4.06Å; I27-L46 HydrophobicContact CG1-CD2 3.69Å; I27-L46 HydrophobicContact CG1-CG 4.13Å; I27-L47 HydrophobicContact CD1-CD2 3.58Å; I27-L47 HydrophobicContact CD1-CG 4.46Å; I27-L47 HydrophobicContact CG1-CD2 4.28Å; I27-L69 HydrophobicContact CD1-CD2 3.19Å; I27-K72 HydrophobicContact CG2-CD 4.36Å
28	K	87.9	Confident	83.7	Confident	121 Å²	121	79.5 Å²	79.5	53%	0.526	40%	0.396	S	S	.	.	H	α-helix	trans	-59	-40.8	176	-75.9	-178.5	179.4	-175.9	0	112.2	N24 R25 Y26 E31 Q32	N24-K28 WeakPolarHBondContact O-CG 3.36Å; N24-K28 PolarHBondContact O-N 3.09Å; N24-K28 VanDerWaalsContact O-N 3.08Å; R25-K28 PolarHBondContact O-N 3.06Å; Y26-K28 PolarHBondContact O-N 3.07Å; K28-E31 PolarHBondContact O-N 3.12Å; K28-Q32 WeakPolarHBondContact O-CB 3.32Å; K28-Q32 VanDerWaalsContact O-CG 3.24Å; K28-Q32 WeakPolarHBondContact O-CG 3.44Å; K28-Q32 PolarHBondContact O-N 3.37Å
29	W	89.1	Confident	83.6	Confident	129 Å²	129	85.3 Å²	85.3	49%	0.489	42%	0.418	S	S	.	.	H	α-helix	trans	-64.1	-41.4	175.5	174.5	81.5	0	0	0	111.8	R25 Y26 I27 Q32 T33	R25-W29 WeakPolarHBondContact O-CB 3.44Å; R25-W29 PolarHBondContact O-N 2.98Å; Y26-W29 AromaticContact CD2-CE3 3.94Å; Y26-W29 HydrophobicContact CD2-CE3 3.94Å; Y26-W29 HydrophobicContact CD2-CZ3 4.5Å; Y26-W29 AromaticContact CE2-CE3 3.65Å; Y26-W29 HydrophobicContact CE2-CE3 3.65Å; Y26-W29 AromaticContact CE2-CZ3 3.76Å; Y26-W29 HydrophobicContact CE2-CZ3 3.76Å; Y26-W29 WeakPolarHBondContact O-CB 3.37Å; Y26-W29 PolarHBondContact O-N 3.26Å; I27-W29 VanDerWaalsContact C-N 3.29Å; I27-W29 PolarHBondContact O-N 3.38Å; W29-Q32 PolarHBondContact O-N 2.98Å; W29-T33 HydrophobicContact CZ2-CG2 4.37Å; W29-T33 WeakPolarHBondContact O-CB 3.49Å; W29-T33 PolarHBondContact O-N 2.98Å; W29-T33 PolarHBondContact O-OG1 2.92Å
30	T	87.9	Confident	83.2	Confident	4 Å²	4	90.3 Å²	90.3	3%	0.025	44%	0.441	C	S	.	.	H	α-helix	trans	-61.7	-44.6	175.2	-58.4	0	0	0	0	111.5	Y26 I27 Q32 T33 F34 S41 L43	Y26-T30 PolarHBondContact O-N 3.29Å; Y26-T30 PolarHBondContact O-OG1 3.09Å; Y26-T30 VanDerWaalsContact O-OG1 3.07Å; I27-T30 WeakPolarHBondContact O-CB 3.45Å; I27-T30 PolarHBondContact O-N 3.31Å; I27-T30 VanDerWaalsContact O-N 3.11Å; T30-Q32 PolarHBondContact O-N 2.74Å; T30-T33 PolarHBondContact O-N 3.28Å; T30-F34 HydrophobicContact CG2-CD2 4.18Å; T30-F34 WeakPolarHBondContact O-CD2 3.44Å; T30-F34 PolarHBondContact O-N 3.04Å; T30-S41 WeakPolarHBondContact CG2-O 3.4Å; T30-L43 HydrophobicContact CG2-CB 4.35Å; T30-L43 HydrophobicContact CG2-CD1 4.31Å
31	E	87.4	Confident	82.8	Confident	74 Å²	74	91.1 Å²	91.1	35%	0.346	45%	0.446	S	S	.	.	H	α-helix	trans	-61	-42.6	176.1	-71	168.6	173.1	0	0	111.8	I27 K28 F34 L43 K72	I27-E31 WeakPolarHBondContact O-CG 3.3Å; I27-E31 PolarHBondContact O-N 3.33Å; K28-E31 PolarHBondContact O-N 3.12Å; E31-F34 CarbonylContact O-C 3.49Å; E31-L43 HydrophobicContact CG-CD2 4.41Å; E31-K72 VanDerWaalsContact CD-NZ 3.34Å; E31-K72 IonicContact OE1-NZ 2.66Å; E31-K72 PolarHBondContact OE1-NZ 3.37Å; E31-K72 IonicContact OE2-NZ 3.65Å; E31-K72 PolarHBondContact OE2-NZ 3.45Å; E31-K72 VanDerWaalsContact OE2-NZ 3.14Å
32	Q	88.3	Confident	82.7	Confident	153 Å²	153	92.6 Å²	92.6	72%	0.715	45%	0.452	S	S	*	.	H	α-helix	trans	-68.9	-34.6	178	-72.8	172.4	-4.3	0	0	113.1	K28 W29 T30	K28-Q32 WeakPolarHBondContact O-CB 3.32Å; K28-Q32 VanDerWaalsContact O-CG 3.24Å; K28-Q32 WeakPolarHBondContact O-CG 3.44Å; K28-Q32 PolarHBondContact O-N 3.37Å; W29-Q32 PolarHBondContact O-N 2.98Å; T30-Q32 PolarHBondContact O-N 2.74Å
33	T	87.3	Confident	82.6	Confident	61 Å²	61	88.9 Å²	88.9	37%	0.374	44%	0.439	S	S	.	.	H	α-helix	trans	-78	-30.5	-178.5	-53.6	0	0	0	0	111.4	W29 T30 P35	W29-T33 HydrophobicContact CZ2-CG2 4.37Å; W29-T33 WeakPolarHBondContact O-CB 3.49Å; W29-T33 PolarHBondContact O-N 2.98Å; W29-T33 PolarHBondContact O-OG1 2.92Å; T30-T33 PolarHBondContact O-N 3.28Å; T33-P35 WeakPolarHBondContact O-CD 3.38Å
34	F	84.4	Confident	82.4	Confident	82 Å²	82	89.9 Å²	89.9	36%	0.36	45%	0.451	S	S	.	.			trans	-125.6	72.1	-176.1	-59.8	-80.4	0	0	0	111.6	T30 E31 Q36 G37	T30-F34 HydrophobicContact CG2-CD2 4.18Å; T30-F34 WeakPolarHBondContact O-CD2 3.44Å; T30-F34 PolarHBondContact O-N 3.04Å; E31-F34 CarbonylContact O-C 3.49Å; F34-Q36 VanDerWaalsContact C-N 3.29Å; F34-Q36 PolarHBondContact O-N 3.37Å; F34-G37 PolarHBondContact O-N 3.41Å
35	P	81	Confident	82.4	Confident	117 Å²	117	91.9 Å²	91.9	76%	0.76	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.6	-174.6	25.6	-35	0	0	0	114	T33 G37	T33-P35 WeakPolarHBondContact O-CD 3.38Å; P35-G37 VanDerWaalsContact C-N 3.27Å
36	Q	75.1	Confident	82.4	Confident	196 Å²	196	83.3 Å²	83.3	92%	0.916	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-4.9	175.1	-73.1	-179.1	17.6	0	0	113.2	F34	F34-Q36 VanDerWaalsContact C-N 3.29Å; F34-Q36 PolarHBondContact O-N 3.37Å
37	G	67.7	Low	82.4	Confident	47 Å²	47	79 Å²	79	49%	0.485	42%	0.417	S	S	.	.			trans	60.4	-171.2	-173.6	0	0	0	0	0	112.9	F34 P35	F34-G37 PolarHBondContact O-N 3.41Å; P35-G37 VanDerWaalsContact C-N 3.27Å
38	G	71.3	Confident	82.4	Confident	51 Å²	51	83.1 Å²	83.1	53%	0.526	44%	0.436	S	S	.	.			trans	124.4	179.3	175	0	0	0	0	0	114.3	E40 S41	G38-E40 PolarHBondContact O-N 2.92Å; G38-S41 PolarHBondContact O-N 3.09Å; G38-S41 PolarHBondContact O-OG 2.94Å
39	K	72.5	Confident	82.3	Confident	190 Å²	190	85 Å²	85	83%	0.826	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-62.9	-28.4	-175.5	-65.4	176.3	-177.8	172	0	112.8	S41 N42	K39-S41 VanDerWaalsContact C-N 3.29Å; K39-S41 PolarHBondContact O-N 2.7Å; K39-N42 PolarHBondContact O-N 3.17Å
40	E	71.4	Confident	82.2	Confident	157 Å²	157	78.8 Å²	78.8	73%	0.734	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-64.5	-31.5	179.8	-56.8	-58.2	150.9	0	0	112.8	G38 N42	G38-E40 PolarHBondContact O-N 2.92Å; E40-N42 PolarHBondContact O-N 3.19Å; E40-N42 PolarHBondContact O-ND2 3.16Å
41	S	76.3	Confident	82.2	Confident	16 Å²	16	78.7 Å²	78.7	11%	0.112	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-73.9	-16.9	-178.8	73.1	0	0	0	0	112.9	T30 G38 K39 L43	T30-S41 WeakPolarHBondContact CG2-O 3.4Å; G38-S41 PolarHBondContact O-N 3.09Å; G38-S41 PolarHBondContact O-OG 2.94Å; K39-S41 VanDerWaalsContact C-N 3.29Å; K39-S41 PolarHBondContact O-N 2.7Å; S41-L43 PolarHBondContact O-N 3.48Å; S41-L43 WeakPolarHBondContact OG-CB 3.35Å; S41-L43 PolarHBondContact OG-N 2.77Å
42	N	81.8	Confident	82.1	Confident	100 Å²	100	78.5 Å²	78.5	54%	0.535	42%	0.42	S	S	.	.			trans	48.7	25.1	-174.2	-69.9	-74.9	0	0	0	113.8	K39 E40 A44 T45 L46	K39-N42 PolarHBondContact O-N 3.17Å; E40-N42 PolarHBondContact O-N 3.19Å; E40-N42 PolarHBondContact O-ND2 3.16Å; N42-A44 PolarHBondContact O-N 3.28Å; N42-T45 PolarHBondContact O-N 3.25Å; N42-L46 PolarHBondContact O-N 3.04Å
43	L	85.6	Confident	81.9	Confident	26 Å²	26	79.5 Å²	79.5	14%	0.136	42%	0.417	C	S	.	.	H	α-helix	trans	-62.1	-43.8	-172.6	178.7	60.3	0	0	0	112.2	I27 T30 E31 S41 T45 L46 L47	I27-L43 HydrophobicContact CG1-CD1 4.43Å; I27-L43 HydrophobicContact CG2-CD1 4.06Å; T30-L43 HydrophobicContact CG2-CB 4.35Å; T30-L43 HydrophobicContact CG2-CD1 4.31Å; E31-L43 HydrophobicContact CG-CD2 4.41Å; S41-L43 PolarHBondContact O-N 3.48Å; S41-L43 WeakPolarHBondContact OG-CB 3.35Å; S41-L43 PolarHBondContact OG-N 2.77Å; L43-T45 PolarHBondContact O-N 3.09Å; L43-L46 WeakPolarHBondContact O-CB 3.39Å; L43-L46 PolarHBondContact O-N 3.23Å; L43-L47 HydrophobicContact CD1-CD1 4.15Å; L43-L47 HydrophobicContact CD1-CG 4.23Å; L43-L47 HydrophobicContact CG-CD1 3.97Å; L43-L47 HydrophobicContact CG-CG 4.5Å; L43-L47 WeakPolarHBondContact O-CG 3.34Å; L43-L47 PolarHBondContact O-N 3.36Å
44	A	84.9	Confident	81.6	Confident	42 Å²	42	76.8 Å²	76.8	35%	0.347	40%	0.4	S	S	.	.	H	α-helix	trans	-60	-44.8	178	0	0	0	0	0	112.1	N42 L46 L47 E48	N42-A44 PolarHBondContact O-N 3.28Å; A44-L46 VanDerWaalsContact C-N 3.31Å; A44-L46 PolarHBondContact O-N 3.46Å; A44-L47 PolarHBondContact O-N 3.48Å; A44-E48 WeakPolarHBondContact O-CB 3.5Å; A44-E48 PolarHBondContact O-N 3.41Å
45	T	86.3	Confident	81.3	Confident	71 Å²	71	74 Å²	74	44%	0.436	39%	0.39	S	S	.	.	H	α-helix	trans	-64.1	-37.8	176.4	-48.5	0	0	0	0	111.6	N42 L43 R49	N42-T45 PolarHBondContact O-N 3.25Å; L43-T45 PolarHBondContact O-N 3.09Å; T45-R49 WeakPolarHBondContact O-CB 3.38Å; T45-R49 VanDerWaalsContact O-CG 3.27Å; T45-R49 WeakPolarHBondContact O-CG 3.31Å; T45-R49 PolarHBondContact O-N 3.16Å
46	L	87.9	Confident	81.1	Confident	20 Å²	20	75.3 Å²	75.3	11%	0.105	39%	0.39	C	S	.	.	H	α-helix	trans	-65.6	-45.3	176.6	177	60.9	0	0	0	111.4	F23 Y26 I27 N42 L43 A44 R49 A50	F23-L46 HydrophobicContact CD1-CD1 4.06Å; F23-L46 HydrophobicContact CE1-CD1 3.96Å; Y26-L46 HydrophobicContact CD1-CD1 3.61Å; Y26-L46 HydrophobicContact CD1-CD2 3.35Å; Y26-L46 HydrophobicContact CD1-CG 4.1Å; Y26-L46 HydrophobicContact CE1-CD1 3.7Å; Y26-L46 HydrophobicContact CE1-CD2 3.57Å; Y26-L46 HydrophobicContact CE1-CG 4.26Å; Y26-L46 HydrophobicContact CG-CD2 4.27Å; I27-L46 HydrophobicContact CG1-CD2 3.69Å; I27-L46 HydrophobicContact CG1-CG 4.13Å; N42-L46 PolarHBondContact O-N 3.04Å; L43-L46 WeakPolarHBondContact O-CB 3.39Å; L43-L46 PolarHBondContact O-N 3.23Å; A44-L46 VanDerWaalsContact C-N 3.31Å; A44-L46 PolarHBondContact O-N 3.46Å; L46-R49 PolarHBondContact O-N 3.17Å; L46-A50 WeakPolarHBondContact O-CB 3.32Å; L46-A50 PolarHBondContact O-N 3.15Å
47	L	88	Confident	81.4	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-62.2	-46.6	176.4	-72.8	166	0	0	0	111.1	I27 L43 A44 R49 A50 V51 L69 K72 F73 N76	I27-L47 HydrophobicContact CD1-CD2 3.58Å; I27-L47 HydrophobicContact CD1-CG 4.46Å; I27-L47 HydrophobicContact CG1-CD2 4.28Å; L43-L47 HydrophobicContact CD1-CD1 4.15Å; L43-L47 HydrophobicContact CD1-CG 4.23Å; L43-L47 HydrophobicContact CG-CD1 3.97Å; L43-L47 HydrophobicContact CG-CG 4.5Å; L43-L47 WeakPolarHBondContact O-CG 3.34Å; L43-L47 PolarHBondContact O-N 3.36Å; A44-L47 PolarHBondContact O-N 3.48Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3.38Å; L47-A50 WeakPolarHBondContact O-CB 3.35Å; L47-A50 PolarHBondContact O-N 3.16Å; L47-V51 WeakPolarHBondContact O-CG2 3.02Å; L47-V51 PolarHBondContact O-N 2.82Å; L47-L69 HydrophobicContact CD2-CD2 4.47Å; L47-K72 HydrophobicContact CD1-CB 4.49Å; L47-K72 HydrophobicContact CD2-CB 4.07Å; L47-F73 HydrophobicContact CB-CB 4.3Å; L47-F73 HydrophobicContact CB-CD2 3.84Å; L47-N76 WeakPolarHBondContact CD1-ND2 3.37Å
48	E	88.7	Confident	82.1	Confident	88 Å²	88	75.4 Å²	75.4	41%	0.411	38%	0.376	S	S	.	.	H	α-helix	trans	-55.8	-45.7	176.5	-174.4	-180	177.4	0	0	111.6	A44 A50 V51 T52 F73	A44-E48 WeakPolarHBondContact O-CB 3.5Å; A44-E48 PolarHBondContact O-N 3.41Å; E48-A50 VanDerWaalsContact C-N 3.35Å; E48-A50 PolarHBondContact O-N 2.75Å; E48-V51 WeakPolarHBondContact O-CG2 3.21Å; E48-T52 VanDerWaalsContact O-CB 3.27Å; E48-T52 WeakPolarHBondContact O-CB 3.43Å; E48-T52 PolarHBondContact O-N 3.07Å; E48-T52 PolarHBondContact O-OG1 3.36Å; E48-F73 HydrophobicContact CB-CE2 3.91Å; E48-F73 HydrophobicContact CG-CE2 4.43Å
49	R	86.5	Confident	82.6	Confident	159 Å²	159	81.2 Å²	81.2	60%	0.6	39%	0.391	S	S	*	.	H	α-helix	trans	-64.4	-39.4	175.9	-73	175.3	68.4	174.8	1.8	112	T45 L46 L47 R53	T45-R49 WeakPolarHBondContact O-CB 3.38Å; T45-R49 VanDerWaalsContact O-CG 3.27Å; T45-R49 WeakPolarHBondContact O-CG 3.31Å; T45-R49 PolarHBondContact O-N 3.16Å; L46-R49 PolarHBondContact O-N 3.17Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3.38Å; R49-R53 WeakPolarHBondContact O-CB 3.23Å; R49-R53 WeakPolarHBondContact O-CG 3.43Å; R49-R53 PolarHBondContact O-N 3.34Å
50	A	87.1	Confident	83.1	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-65.5	-52.5	179	0	0	0	0	0	110.7	F23 L46 L47 E48 T52 R53 F54	F23-A50 HydrophobicContact CB-CB 4.37Å; F23-A50 HydrophobicContact CD1-CB 3.63Å; F23-A50 HydrophobicContact CD2-CB 4.33Å; F23-A50 HydrophobicContact CE1-CB 3.9Å; F23-A50 HydrophobicContact CG-CB 3.88Å; F23-A50 HydrophobicContact CZ-CB 4.36Å; L46-A50 WeakPolarHBondContact O-CB 3.32Å; L46-A50 PolarHBondContact O-N 3.15Å; L47-A50 WeakPolarHBondContact O-CB 3.35Å; L47-A50 PolarHBondContact O-N 3.16Å; E48-A50 VanDerWaalsContact C-N 3.35Å; E48-A50 PolarHBondContact O-N 2.75Å; A50-T52 PolarHBondContact O-N 3.35Å; A50-R53 PolarHBondContact O-N 3.43Å; A50-F54 WeakPolarHBondContact O-CD2 3.01Å
51	V	87.4	Confident	83.8	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-63.5	-44.1	-177.2	-62.3	0	0	0	0	111.5	L47 E48 R53 F54 T55 Y66 W70 F73	L47-V51 WeakPolarHBondContact O-CG2 3.02Å; L47-V51 PolarHBondContact O-N 2.82Å; E48-V51 WeakPolarHBondContact O-CG2 3.21Å; V51-R53 VanDerWaalsContact C-N 3.32Å; V51-R53 PolarHBondContact O-N 2.93Å; V51-F54 PolarHBondContact O-N 2.85Å; V51-T55 WeakPolarHBondContact O-CG2 3.46Å; V51-T55 PolarHBondContact O-N 3.39Å; V51-Y66 PolarHBondContact O-OH 3.32Å; V51-W70 HydrophobicContact CB-CD2 3.96Å; V51-W70 HydrophobicContact CB-CE3 4.15Å; V51-W70 HydrophobicContact CB-CH2 3.91Å; V51-W70 HydrophobicContact CB-CZ2 3.72Å; V51-W70 HydrophobicContact CB-CZ3 4.13Å; V51-W70 HydrophobicContact CG1-CD2 3.78Å; V51-W70 HydrophobicContact CG1-CE3 4.06Å; V51-W70 HydrophobicContact CG1-CG 4.05Å; V51-W70 HydrophobicContact CG1-CZ2 4.47Å; V51-W70 HydrophobicContact CG2-CE3 4.5Å; V51-W70 HydrophobicContact CG2-CH2 4.05Å; V51-W70 HydrophobicContact CG2-CZ2 4.36Å; V51-W70 HydrophobicContact CG2-CZ3 4.14Å; V51-F73 HydrophobicContact CG1-CB 4.02Å; V51-F73 HydrophobicContact CG1-CG 4.31Å; V51-F73 HydrophobicContact CG2-CD1 4.17Å; V51-F73 HydrophobicContact CG2-CD2 4.44Å; V51-F73 HydrophobicContact CG2-CE1 4.33Å; V51-F73 HydrophobicContact CG2-CG 4.22Å
52	T	85.5	Confident	84.2	Confident	71 Å²	71	69.2 Å²	69.2	44%	0.436	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-37.9	-179.6	-53.5	0	0	0	0	112	E48 A50 F54 T55	E48-T52 VanDerWaalsContact O-CB 3.27Å; E48-T52 WeakPolarHBondContact O-CB 3.43Å; E48-T52 PolarHBondContact O-N 3.07Å; E48-T52 PolarHBondContact O-OG1 3.36Å; A50-T52 PolarHBondContact O-N 3.35Å; T52-F54 VanDerWaalsContact C-N 3.3Å; T52-F54 PolarHBondContact O-N 2.92Å; T52-T55 PolarHBondContact O-N 3.3Å; T52-T55 PolarHBondContact O-OG1 3.42Å
53	R	83.9	Confident	84.5	Confident	174 Å²	174	65.7 Å²	65.7	66%	0.657	32%	0.319	S	S	*	.	H	α-helix	trans	-62.3	-33.8	-177.7	-79.9	-76.4	-177.7	179.6	0.4	114	R49 A50 V51	R49-R53 WeakPolarHBondContact O-CB 3.23Å; R49-R53 WeakPolarHBondContact O-CG 3.43Å; R49-R53 PolarHBondContact O-N 3.34Å; A50-R53 PolarHBondContact O-N 3.43Å; V51-R53 VanDerWaalsContact C-N 3.32Å; V51-R53 PolarHBondContact O-N 2.93Å
54	F	79.4	Confident	84.7	Confident	4 Å²	4	67.4 Å²	67.4	2%	0.018	33%	0.332	C	S	.	.	H	α-helix	trans	-104.7	2.7	-175.7	-54.8	-74.6	0	0	0	113.4	I19 I20 F23 A50 V51 T52 D56 E57 Y60 Y66	I19-F54 HydrophobicContact CB-CE1 4.14Å; I19-F54 HydrophobicContact CB-CZ 3.85Å; I19-F54 HydrophobicContact CG2-CE1 4.25Å; I19-F54 HydrophobicContact CG2-CZ 3.64Å; I20-F54 HydrophobicContact CB-CZ 4.37Å; I20-F54 HydrophobicContact CD1-CD1 4.15Å; I20-F54 HydrophobicContact CD1-CE1 4.15Å; I20-F54 HydrophobicContact CD1-CG 4.4Å; I20-F54 HydrophobicContact CD1-CZ 4.41Å; I20-F54 HydrophobicContact CG1-CD1 3.94Å; I20-F54 HydrophobicContact CG1-CD2 4.08Å; I20-F54 HydrophobicContact CG1-CE1 3.5Å; I20-F54 VanDerWaalsContact CG1-CE1 3.5Å; I20-F54 HydrophobicContact CG1-CE2 3.69Å; I20-F54 HydrophobicContact CG1-CG 4.22Å; I20-F54 HydrophobicContact CG1-CZ 3.36Å; F23-F54 AromaticContact CD2-CE2 3.62Å; F23-F54 HydrophobicContact CD2-CE2 3.62Å; F23-F54 AromaticContact CD2-CZ 3.86Å; F23-F54 HydrophobicContact CD2-CZ 3.86Å; F23-F54 AromaticContact CE2-CE2 3.84Å; F23-F54 HydrophobicContact CE2-CE2 3.84Å; F23-F54 HydrophobicContact CE2-CZ 4.01Å; A50-F54 WeakPolarHBondContact O-CD2 3.01Å; V51-F54 PolarHBondContact O-N 2.85Å; T52-F54 VanDerWaalsContact C-N 3.3Å; T52-F54 PolarHBondContact O-N 2.92Å; F54-D56 VanDerWaalsContact C-N 3.31Å; F54-D56 PolarHBondContact O-N 3.01Å; F54-E57 PolarHBondContact O-N 3.11Å; F54-Y60 HydrophobicContact CD1-CD2 4.4Å; F54-Y66 VanDerWaalsContact C-OH 3.3Å; F54-Y66 HydrophobicContact CB-CD2 4.07Å; F54-Y66 HydrophobicContact CB-CE1 4.48Å; F54-Y66 HydrophobicContact CB-CE2 3.44Å; F54-Y66 VanDerWaalsContact CB-CE2 3.44Å; F54-Y66 HydrophobicContact CD2-CD2 4.25Å; F54-Y66 AromaticContact CD2-CE2 3.97Å; F54-Y66 HydrophobicContact CD2-CE2 3.97Å; F54-Y66 HydrophobicContact CG-CD2 4.46Å; F54-Y66 HydrophobicContact CG-CE2 4.13Å
55	T	78.5	Confident	84.9	Confident	23 Å²	23	69.8 Å²	69.8	14%	0.141	33%	0.332	C	S	.	.	S	Bend	trans	-57.4	-44.2	179.7	44.8	0	0	0	0	112.3	V51 T52 E57 H61 Y66 W70	V51-T55 WeakPolarHBondContact O-CG2 3.46Å; V51-T55 PolarHBondContact O-N 3.39Å; T52-T55 PolarHBondContact O-N 3.3Å; T52-T55 PolarHBondContact O-OG1 3.42Å; T55-E57 VanDerWaalsContact C-N 3.29Å; T55-E57 PolarHBondContact O-N 3.13Å; T55-H61 PolarHBondContact O-NE2 3.23Å; T55-Y66 PolarHBondContact N-OH 2.84Å; T55-W70 HydrophobicContact CG2-CH2 4.13Å; T55-W70 HydrophobicContact CG2-CZ2 3.63Å
56	D	78	Confident	85.1	Confident	144 Å²	144	66.4 Å²	66.4	77%	0.77	31%	0.311	S	S	*	.	S	Bend	trans	-72.3	-22.4	-178.6	-62.1	-34.3	0	0	0	113	F54 K58	F54-D56 VanDerWaalsContact C-N 3.31Å; F54-D56 PolarHBondContact O-N 3.01Å; D56-K58 PolarHBondContact O-N 3.37Å
57	E	81.5	Confident	85.2	Confident	80 Å²	80	65.4 Å²	65.4	37%	0.374	31%	0.306	S	S	.	.			trans	-91.7	84.4	-173.9	-65.1	-175.6	-153	0	0	111.7	S16 F54 T55 M59 Y60	S16-E57 WeakPolarHBondContact CB-OE2 3.44Å; S16-E57 PolarHBondContact OG-OE2 2.75Å; F54-E57 PolarHBondContact O-N 3.11Å; T55-E57 VanDerWaalsContact C-N 3.29Å; T55-E57 PolarHBondContact O-N 3.13Å; E57-M59 PolarHBondContact O-N 3.38Å; E57-Y60 HydrophobicContact CB-CD2 3.83Å; E57-Y60 HydrophobicContact CB-CE2 4.26Å; E57-Y60 PolarHBondContact O-N 2.93Å; E57-Y60 WeakPolarHBondContact OE2-CE2 3.36Å
58	K	81.8	Confident	85.4	Confident	166 Å²	166	69 Å²	69	72%	0.722	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-53.3	-21.8	-179	-63.2	-172.3	178.5	-176.1	0	115.6	D56 Y60 H61	D56-K58 PolarHBondContact O-N 3.37Å; K58-Y60 PolarHBondContact O-N 3.46Å; K58-H61 WeakPolarHBondContact O-CB 3.49Å; K58-H61 PolarHBondContact O-N 3.4Å
59	M	81.6	Confident	85.5	Confident	173 Å²	173	64.9 Å²	64.9	85%	0.852	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-58.6	-27.9	177.4	-64.6	-95.2	-78.7	0	0	112.5	E57	E57-M59 PolarHBondContact O-N 3.38Å
60	Y	82.3	Confident	85.8	Confident	21 Å²	21	57.3 Å²	57.3	8%	0.082	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-99.2	-4.5	-177.2	-61.6	-72.7	0	0	0	114	S16 V17 I20 F54 E57 K58 N62 D63 Y66	S16-Y60 WeakPolarHBondContact CA-OH 3.47Å; S16-Y60 WeakPolarHBondContact CB-OH 3.37Å; S16-Y60 WeakPolarHBondContact OG-CE2 3.4Å; S16-Y60 VanDerWaalsContact OG-CZ 3.27Å; S16-Y60 PolarHBondContact OG-OH 2.88Å; V17-Y60 HydrophobicContact CG2-CE1 3.96Å; V17-Y60 WeakPolarHBondContact CG2-OH 3.38Å; V17-Y60 PolarHBondContact N-OH 3.39Å; I20-Y60 HydrophobicContact CD1-CD1 3.14Å; I20-Y60 HydrophobicContact CD1-CD2 4.25Å; I20-Y60 HydrophobicContact CD1-CE1 3.64Å; I20-Y60 HydrophobicContact CD1-CG 3.47Å; I20-Y60 VanDerWaalsContact CD1-CG 3.47Å; F54-Y60 HydrophobicContact CD1-CD2 4.4Å; E57-Y60 HydrophobicContact CB-CD2 3.83Å; E57-Y60 HydrophobicContact CB-CE2 4.26Å; E57-Y60 PolarHBondContact O-N 2.93Å; E57-Y60 WeakPolarHBondContact OE2-CE2 3.36Å; K58-Y60 PolarHBondContact O-N 3.46Å; Y60-N62 PolarHBondContact O-N 2.85Å; Y60-N62 VanDerWaalsContact O-N 3.16Å; Y60-D63 WeakPolarHBondContact O-CB 3.24Å; Y60-D63 PolarHBondContact O-N 3.29Å; Y60-Y66 WeakPolarHBondContact O-CB 3.46Å; Y60-Y66 VanDerWaalsContact O-CD1 3.29Å; Y60-Y66 WeakPolarHBondContact O-CD1 3.45Å
61	H	85.8	Confident	86.1	Confident	14 Å²	14	58 Å²	58	7%	0.065	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-34.3	-175.5	-75.6	-167.4	0	0	0	112.5	T55 K58 G93	T55-H61 PolarHBondContact O-NE2 3.23Å; K58-H61 WeakPolarHBondContact O-CB 3.49Å; K58-H61 PolarHBondContact O-N 3.4Å; H61-G93 WeakPolarHBondContact O-CA 3.45Å; H61-G93 PolarHBondContact O-N 3.23Å
62	N	84.8	Confident	86.2	Confident	76 Å²	76	60.3 Å²	60.3	41%	0.406	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	6.1	178.5	-64.3	-41.6	0	0	0	114	Y60 P64 T95 Q96	Y60-N62 PolarHBondContact O-N 2.85Å; Y60-N62 VanDerWaalsContact O-N 3.16Å; N62-P64 WeakPolarHBondContact O-CD 3.39Å; N62-T95 PolarHBondContact OD1-OG1 2.78Å; N62-Q96 PolarHBondContact O-NE2 3.46Å
63	D	89.3	Confident	86.5	Confident	25 Å²	25	57.2 Å²	57.2	13%	0.134	27%	0.272	C	S	.	.			trans	-74.1	122.3	176.6	-169.3	-39	0	0	0	109.5	Y60 R65 Y66 V67	Y60-D63 WeakPolarHBondContact O-CB 3.24Å; Y60-D63 PolarHBondContact O-N 3.29Å; D63-R65 PolarHBondContact O-N 2.89Å; D63-R65 VanDerWaalsContact O-N 3.1Å; D63-R65 VanDerWaalsContact OD1-CB 3.28Å; D63-R65 WeakPolarHBondContact OD1-CB 3.47Å; D63-R65 WeakPolarHBondContact OD1-CG 3.35Å; D63-R65 IonicContact OD1-CZ 3.39Å; D63-R65 PolarHBondContact OD1-N 2.97Å; D63-R65 IonicContact OD1-NE 2.77Å; D63-R65 PolarHBondContact OD1-NE 2.97Å; D63-R65 IonicContact OD1-NH2 3.47Å; D63-R65 IonicContact OD2-CZ 3.14Å; D63-R65 IonicContact OD2-NE 2.72Å; D63-R65 PolarHBondContact OD2-NE 3.29Å; D63-R65 IonicContact OD2-NH2 3.66Å; D63-R65 PolarHBondContact OD2-NH2 3.46Å; D63-Y66 PolarHBondContact O-N 3.05Å; D63-V67 PolarHBondContact O-N 3.26Å; D63-V67 VanDerWaalsContact O-N 3.1Å
64	P	89.5	Confident	86.9	Confident	63 Å²	63	48.9 Å²	48.9	41%	0.409	24%	0.24	S	C	.	.	H	α-helix	trans	-52.6	-35.6	178.3	-25.4	32.6	0	0	0	113.1	N62 Y66 V67 D68	N62-P64 WeakPolarHBondContact O-CD 3.39Å; P64-Y66 VanDerWaalsContact C-N 3.29Å; P64-Y66 PolarHBondContact O-N 3.41Å; P64-V67 PolarHBondContact O-N 2.91Å; P64-D68 PolarHBondContact O-N 2.93Å
65	R	89.5	Confident	87.4	Confident	91 Å²	91	55.1 Å²	55.1	34%	0.343	27%	0.269	S	S	.	.	H	α-helix	trans	-68.3	-30.7	-179.2	-60.4	172.1	-71	-177.8	-1.3	112.3	I20 V21 D63 L69	I20-R65 HydrophobicContact CG2-CB 3.92Å; V21-R65 VanDerWaalsContact CG2-NH1 3.28Å; D63-R65 PolarHBondContact O-N 2.89Å; D63-R65 VanDerWaalsContact O-N 3.1Å; D63-R65 VanDerWaalsContact OD1-CB 3.28Å; D63-R65 WeakPolarHBondContact OD1-CB 3.47Å; D63-R65 WeakPolarHBondContact OD1-CG 3.35Å; D63-R65 IonicContact OD1-CZ 3.39Å; D63-R65 PolarHBondContact OD1-N 2.97Å; D63-R65 IonicContact OD1-NE 2.77Å; D63-R65 PolarHBondContact OD1-NE 2.97Å; D63-R65 IonicContact OD1-NH2 3.47Å; D63-R65 IonicContact OD2-CZ 3.14Å; D63-R65 IonicContact OD2-NE 2.72Å; D63-R65 PolarHBondContact OD2-NE 3.29Å; D63-R65 IonicContact OD2-NH2 3.66Å; D63-R65 PolarHBondContact OD2-NH2 3.46Å; R65-L69 VanDerWaalsContact O-CG 3.31Å; R65-L69 WeakPolarHBondContact O-CG 3.39Å; R65-L69 PolarHBondContact O-N 3.15Å
66	Y	89.1	Confident	87.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-78.7	-39.2	176.7	-175.2	-125.2	0	0	0	110.9	V51 F54 T55 Y60 D63 P64 D68 L69 W70 I92	V51-Y66 PolarHBondContact O-OH 3.32Å; F54-Y66 VanDerWaalsContact C-OH 3.3Å; F54-Y66 HydrophobicContact CB-CD2 4.07Å; F54-Y66 HydrophobicContact CB-CE1 4.48Å; F54-Y66 HydrophobicContact CB-CE2 3.44Å; F54-Y66 VanDerWaalsContact CB-CE2 3.44Å; F54-Y66 HydrophobicContact CD2-CD2 4.25Å; F54-Y66 AromaticContact CD2-CE2 3.97Å; F54-Y66 HydrophobicContact CD2-CE2 3.97Å; F54-Y66 HydrophobicContact CG-CD2 4.46Å; F54-Y66 HydrophobicContact CG-CE2 4.13Å; T55-Y66 PolarHBondContact N-OH 2.84Å; Y60-Y66 WeakPolarHBondContact O-CB 3.46Å; Y60-Y66 VanDerWaalsContact O-CD1 3.29Å; Y60-Y66 WeakPolarHBondContact O-CD1 3.45Å; D63-Y66 PolarHBondContact O-N 3.05Å; P64-Y66 VanDerWaalsContact C-N 3.29Å; P64-Y66 PolarHBondContact O-N 3.41Å; Y66-D68 VanDerWaalsContact C-N 3.34Å; Y66-D68 PolarHBondContact O-N 3.13Å; Y66-L69 HydrophobicContact CD2-CD1 4.49Å; Y66-L69 WeakPolarHBondContact O-CB 3.35Å; Y66-L69 PolarHBondContact O-N 3Å; Y66-W70 AromaticContact CD1-CD1 3.94Å; Y66-W70 AromaticContact CD1-NE1 3.95Å; Y66-W70 AromaticContact CE1-CD1 3.65Å; Y66-W70 AromaticContact CE1-NE1 3.18Å; Y66-W70 AromaticContact CE2-CD1 3.81Å; Y66-W70 AromaticContact CE2-NE1 3.47Å; Y66-W70 AromaticContact CZ-CD1 3.61Å; Y66-W70 AromaticContact CZ-CE2 3.97Å; Y66-W70 AromaticContact CZ-NE1 2.91Å; Y66-W70 PolarHBondContact O-N 3.41Å; Y66-W70 VanDerWaalsContact O-N 3.12Å; Y66-W70 PolarHBondContact OH-NE1 2.94Å; Y66-I92 HydrophobicContact CD1-CG2 4.04Å; Y66-I92 HydrophobicContact CE1-CG2 3.85Å
67	V	91.3	Very high	88.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-44.1	173.8	177.8	0	0	0	0	111	D63 P64 L69 W70 I71 M87 Q96 A98 L99	D63-V67 PolarHBondContact O-N 3.26Å; D63-V67 VanDerWaalsContact O-N 3.1Å; P64-V67 PolarHBondContact O-N 2.91Å; V67-L69 VanDerWaalsContact C-N 3.29Å; V67-L69 PolarHBondContact O-N 3.27Å; V67-W70 WeakPolarHBondContact O-CB 3.31Å; V67-W70 PolarHBondContact O-N 2.71Å; V67-W70 VanDerWaalsContact O-N 3.12Å; V67-I71 HydrophobicContact CG1-CD1 3.85Å; V67-I71 HydrophobicContact CG1-CG1 4.37Å; V67-I71 WeakPolarHBondContact O-CG1 3.47Å; V67-I71 PolarHBondContact O-N 2.9Å; V67-M87 HydrophobicContact CG1-CE 4.24Å; V67-Q96 HydrophobicContact CG1-CB 4.32Å; V67-Q96 HydrophobicContact CG2-CB 4.17Å; V67-Q96 HydrophobicContact CG2-CG 3.92Å; V67-A98 HydrophobicContact CG1-CB 4.44Å; V67-L99 HydrophobicContact CG1-CB 4.13Å
68	D	91.4	Very high	88.2	Confident	77 Å²	77	51 Å²	51	41%	0.412	26%	0.256	S	S	.	.	H	α-helix	trans	-60.3	-37.5	175.8	-75	-12.5	0	0	0	112.4	P64 Y66 W70 I71 K72	P64-D68 PolarHBondContact O-N 2.93Å; Y66-D68 VanDerWaalsContact C-N 3.34Å; Y66-D68 PolarHBondContact O-N 3.13Å; D68-W70 VanDerWaalsContact C-N 3.34Å; D68-I71 PolarHBondContact O-N 3.21Å; D68-K72 WeakPolarHBondContact O-CB 3.22Å; D68-K72 WeakPolarHBondContact O-CG 3.48Å; D68-K72 PolarHBondContact O-N 3.49Å
69	L	91.3	Very high	88.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-40.5	175.4	-73.5	170.9	0	0	0	111.9	I20 I27 L47 R65 Y66 V67 F73	I20-L69 HydrophobicContact CG2-CD1 4.27Å; I27-L69 HydrophobicContact CD1-CD2 3.19Å; L47-L69 HydrophobicContact CD2-CD2 4.47Å; R65-L69 VanDerWaalsContact O-CG 3.31Å; R65-L69 WeakPolarHBondContact O-CG 3.39Å; R65-L69 PolarHBondContact O-N 3.15Å; Y66-L69 HydrophobicContact CD2-CD1 4.49Å; Y66-L69 WeakPolarHBondContact O-CB 3.35Å; Y66-L69 PolarHBondContact O-N 3Å; V67-L69 VanDerWaalsContact C-N 3.29Å; V67-L69 PolarHBondContact O-N 3.27Å; L69-F73 WeakPolarHBondContact O-CB 3.45Å; L69-F73 PolarHBondContact O-N 3.49Å
70	W	92.2	Very high	88.9	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.3	-40.8	175.7	-85.9	105	0	0	0	113.1	V51 T55 Y66 V67 D68 K72 F73 A74 I83 Y86 M87 I92 P239	V51-W70 HydrophobicContact CB-CD2 3.96Å; V51-W70 HydrophobicContact CB-CE3 4.15Å; V51-W70 HydrophobicContact CB-CH2 3.91Å; V51-W70 HydrophobicContact CB-CZ2 3.72Å; V51-W70 HydrophobicContact CB-CZ3 4.13Å; V51-W70 HydrophobicContact CG1-CD2 3.78Å; V51-W70 HydrophobicContact CG1-CE3 4.06Å; V51-W70 HydrophobicContact CG1-CG 4.05Å; V51-W70 HydrophobicContact CG1-CZ2 4.47Å; V51-W70 HydrophobicContact CG2-CE3 4.5Å; V51-W70 HydrophobicContact CG2-CH2 4.05Å; V51-W70 HydrophobicContact CG2-CZ2 4.36Å; V51-W70 HydrophobicContact CG2-CZ3 4.14Å; T55-W70 HydrophobicContact CG2-CH2 4.13Å; T55-W70 HydrophobicContact CG2-CZ2 3.63Å; Y66-W70 AromaticContact CD1-CD1 3.94Å; Y66-W70 AromaticContact CD1-NE1 3.95Å; Y66-W70 AromaticContact CE1-CD1 3.65Å; Y66-W70 AromaticContact CE1-NE1 3.18Å; Y66-W70 AromaticContact CE2-CD1 3.81Å; Y66-W70 AromaticContact CE2-NE1 3.47Å; Y66-W70 AromaticContact CZ-CD1 3.61Å; Y66-W70 AromaticContact CZ-CE2 3.97Å; Y66-W70 AromaticContact CZ-NE1 2.91Å; Y66-W70 PolarHBondContact O-N 3.41Å; Y66-W70 VanDerWaalsContact O-N 3.12Å; Y66-W70 PolarHBondContact OH-NE1 2.94Å; V67-W70 WeakPolarHBondContact O-CB 3.31Å; V67-W70 PolarHBondContact O-N 2.71Å; V67-W70 VanDerWaalsContact O-N 3.12Å; D68-W70 VanDerWaalsContact C-N 3.34Å; W70-K72 VanDerWaalsContact C-N 3.34Å; W70-F73 HydrophobicContact CE3-CD1 4.01Å; W70-F73 HydrophobicContact CZ3-CD1 4Å; W70-F73 HydrophobicContact CZ3-CE1 4.26Å; W70-F73 WeakPolarHBondContact O-CB 3.29Å; W70-F73 PolarHBondContact O-N 3.01Å; W70-F73 VanDerWaalsContact O-N 3.14Å; W70-A74 PolarHBondContact O-N 3.36Å; W70-I83 HydrophobicContact CE3-CG2 3.77Å; W70-I83 HydrophobicContact CZ3-CG2 4.07Å; W70-Y86 AromaticContact CH2-CD1 3.9Å; W70-Y86 HydrophobicContact CH2-CD1 3.9Å; W70-Y86 AromaticContact CH2-CE1 3.57Å; W70-Y86 HydrophobicContact CH2-CE1 3.57Å; W70-Y86 HydrophobicContact CZ2-CE1 4.09Å; W70-Y86 HydrophobicContact CZ3-CD1 4.11Å; W70-Y86 HydrophobicContact CZ3-CE1 4.25Å; W70-M87 HydrophobicContact CB-CE 3.37Å; W70-M87 HydrophobicContact CB-CG 4.39Å; W70-M87 HydrophobicContact CB-SD 3.53Å; W70-M87 VanDerWaalsContact CB-SD 3.53Å; W70-M87 HydrophobicContact CD2-CG 4.16Å; W70-M87 HydrophobicContact CD2-SD 4.39Å; W70-M87 HydrophobicContact CE3-CG 4.19Å; W70-M87 HydrophobicContact CE3-SD 4.49Å; W70-M87 HydrophobicContact CG-CE 3.83Å; W70-M87 HydrophobicContact CG-CG 4.29Å; W70-M87 HydrophobicContact CG-SD 4.05Å; W70-I92 HydrophobicContact CZ2-CD1 3.86Å; W70-P239 HydrophobicContact CH2-CB 4.35Å; W70-P239 HydrophobicContact CH2-CG 4.44Å
71	I	93.1	Very high	89.4	Confident	16 Å²	16	40.2 Å²	40.2	8%	0.082	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-48.3	175.5	-67.2	166.3	0	0	0	109.4	V67 D68 F73 A74 E75 Y84 A98 A102	V67-I71 HydrophobicContact CG1-CD1 3.85Å; V67-I71 HydrophobicContact CG1-CG1 4.37Å; V67-I71 WeakPolarHBondContact O-CG1 3.47Å; V67-I71 PolarHBondContact O-N 2.9Å; D68-I71 PolarHBondContact O-N 3.21Å; I71-F73 VanDerWaalsContact C-N 3.26Å; I71-F73 PolarHBondContact O-N 2.72Å; I71-A74 WeakPolarHBondContact O-CB 3.28Å; I71-A74 PolarHBondContact O-N 2.99Å; I71-A74 VanDerWaalsContact O-N 3.07Å; I71-E75 WeakPolarHBondContact O-CG 3.46Å; I71-E75 PolarHBondContact O-N 3.09Å; I71-Y84 HydrophobicContact CG1-CE1 4.28Å; I71-A98 HydrophobicContact CD1-CB 3.94Å; I71-A102 HydrophobicContact CD1-CB 4.17Å; I71-A102 HydrophobicContact CG1-CB 4.16Å; I71-A102 HydrophobicContact CG2-CB 3.82Å
72	K	91.3	Very high	89.6	Confident	48 Å²	48	41.8 Å²	41.8	21%	0.209	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-35.3	174.3	-75	-173.8	172.1	-150.1	0	113.2	I27 E31 L47 D68 W70 N76	I27-K72 HydrophobicContact CG2-CD 4.36Å; E31-K72 VanDerWaalsContact CD-NZ 3.34Å; E31-K72 IonicContact OE1-NZ 2.66Å; E31-K72 PolarHBondContact OE1-NZ 3.37Å; E31-K72 IonicContact OE2-NZ 3.65Å; E31-K72 PolarHBondContact OE2-NZ 3.45Å; E31-K72 VanDerWaalsContact OE2-NZ 3.14Å; L47-K72 HydrophobicContact CD1-CB 4.49Å; L47-K72 HydrophobicContact CD2-CB 4.07Å; D68-K72 WeakPolarHBondContact O-CB 3.22Å; D68-K72 WeakPolarHBondContact O-CG 3.48Å; D68-K72 PolarHBondContact O-N 3.49Å; W70-K72 VanDerWaalsContact C-N 3.34Å; K72-N76 PolarHBondContact O-N 3.11Å; K72-N76 PolarHBondContact O-ND2 3.14Å
73	F	91	Very high	89.9	Confident	6 Å²	6	38.2 Å²	38.2	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-66.4	-44.1	174.4	178.6	-111.3	0	0	0	111.1	L47 E48 V51 L69 W70 I71 E75 N76 C77 I83	L47-F73 HydrophobicContact CB-CB 4.3Å; L47-F73 HydrophobicContact CB-CD2 3.84Å; E48-F73 HydrophobicContact CB-CE2 3.91Å; E48-F73 HydrophobicContact CG-CE2 4.43Å; V51-F73 HydrophobicContact CG1-CB 4.02Å; V51-F73 HydrophobicContact CG1-CG 4.31Å; V51-F73 HydrophobicContact CG2-CD1 4.17Å; V51-F73 HydrophobicContact CG2-CD2 4.44Å; V51-F73 HydrophobicContact CG2-CE1 4.33Å; V51-F73 HydrophobicContact CG2-CG 4.22Å; L69-F73 WeakPolarHBondContact O-CB 3.45Å; L69-F73 PolarHBondContact O-N 3.49Å; W70-F73 HydrophobicContact CE3-CD1 4.01Å; W70-F73 HydrophobicContact CZ3-CD1 4Å; W70-F73 HydrophobicContact CZ3-CE1 4.26Å; W70-F73 WeakPolarHBondContact O-CB 3.29Å; W70-F73 PolarHBondContact O-N 3.01Å; W70-F73 VanDerWaalsContact O-N 3.14Å; I71-F73 VanDerWaalsContact C-N 3.26Å; I71-F73 PolarHBondContact O-N 2.72Å; F73-E75 PolarHBondContact O-N 2.96Å; F73-N76 PolarHBondContact O-N 3.3Å; F73-N76 VanDerWaalsContact O-N 3.15Å; F73-C77 PolarHBondContact O-N 2.73Å; F73-C77 PolarHBondContact O-SG 3.33Å; F73-I83 HydrophobicContact CD1-CD1 4.32Å; F73-I83 HydrophobicContact CD1-CG2 4.15Å; F73-I83 HydrophobicContact CE1-CD1 3.81Å; F73-I83 HydrophobicContact CE1-CG1 4.44Å
74	A	91.7	Very high	90.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.3	-45.2	177.1	0	0	0	0	0	112	W70 I71 N76 C77 P80 I83 Y84	W70-A74 PolarHBondContact O-N 3.36Å; I71-A74 WeakPolarHBondContact O-CB 3.28Å; I71-A74 PolarHBondContact O-N 2.99Å; I71-A74 VanDerWaalsContact O-N 3.07Å; A74-N76 PolarHBondContact O-N 3.29Å; A74-N76 VanDerWaalsContact O-N 3.14Å; A74-C77 WeakPolarHBondContact O-CB 3.23Å; A74-C77 PolarHBondContact O-N 3.12Å; A74-P80 HydrophobicContact CB-CB 4.22Å; A74-I83 HydrophobicContact CB-CB 3.92Å; A74-I83 HydrophobicContact CB-CG1 4.35Å; A74-I83 HydrophobicContact CB-CG2 3.87Å; A74-Y84 HydrophobicContact CB-CE1 4.04Å; A74-Y84 HydrophobicContact CB-CE2 4.24Å
75	E	89.4	Confident	90.1	Very high	134 Å²	134	38.1 Å²	38.1	63%	0.626	19%	0.187	S	C	*	.	H	α-helix	trans	-58.3	-25.8	177	-69.9	172.9	176.6	0	0	113.7	I71 F73	I71-E75 WeakPolarHBondContact O-CG 3.46Å; I71-E75 PolarHBondContact O-N 3.09Å; F73-E75 PolarHBondContact O-N 2.96Å
76	N	85.9	Confident	90.2	Very high	80 Å²	80	34.3 Å²	34.3	43%	0.428	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-1.7	178.3	-74.6	-68.2	0	0	0	113.8	L47 K72 F73 A74	L47-N76 WeakPolarHBondContact CD1-ND2 3.37Å; K72-N76 PolarHBondContact O-N 3.11Å; K72-N76 PolarHBondContact O-ND2 3.14Å; F73-N76 PolarHBondContact O-N 3.3Å; F73-N76 VanDerWaalsContact O-N 3.15Å; A74-N76 PolarHBondContact O-N 3.29Å; A74-N76 VanDerWaalsContact O-N 3.14Å
77	C	85.8	Confident	90.2	Very high	17 Å²	17	34.3 Å²	34.3	12%	0.115	17%	0.173	C	C	.	.	S	Bend	trans	-93.9	156.9	179.5	-67.8	0	0	0	0	111.6	F73 A74 I83	F73-C77 PolarHBondContact O-N 2.73Å; F73-C77 PolarHBondContact O-SG 3.33Å; A74-C77 WeakPolarHBondContact O-CB 3.23Å; A74-C77 PolarHBondContact O-N 3.12Å; C77-I83 HydrophobicContact CB-CG1 4.34Å
78	S	84.6	Confident	90.2	Very high	65 Å²	65	36.6 Å²	36.6	46%	0.455	18%	0.183	S	C	.	.	S	Bend	trans	-66.5	-36.8	175	-53.4	0	0	0	0	113.1	P80 S242	S78-P80 WeakPolarHBondContact O-CD 3.4Å; S78-S242 PolarHBondContact N-O 3Å
79	E	87.8	Confident	90.1	Very high	114 Å²	114	33.9 Å²	33.9	53%	0.533	17%	0.172	S	C	.	.			trans	-124	82.8	-178.2	-69.5	-64.5	144.8	0	0	109.9	L81 D82	E79-L81 VanDerWaalsContact C-N 3.28Å; E79-L81 PolarHBondContact O-N 3.14Å; E79-D82 PolarHBondContact O-N 3.07Å
80	P	90.3	Very high	89.9	Confident	14 Å²	14	37.2 Å²	37.2	9%	0.091	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-30.6	-177.7	22.2	-34.1	0	0	0	113.5	A74 S78 D82 I83 Y84 E106	A74-P80 HydrophobicContact CB-CB 4.22Å; S78-P80 WeakPolarHBondContact O-CD 3.4Å; P80-D82 VanDerWaalsContact C-N 3.3Å; P80-D82 PolarHBondContact O-N 3.41Å; P80-I83 WeakPolarHBondContact O-CB 3.26Å; P80-I83 PolarHBondContact O-N 3.33Å; P80-I83 VanDerWaalsContact O-N 3.15Å; P80-Y84 HydrophobicContact CB-CE2 4.22Å; P80-Y84 VanDerWaalsContact O-CD2 3.23Å; P80-Y84 WeakPolarHBondContact O-CD2 3.42Å; P80-Y84 PolarHBondContact O-N 3.35Å; P80-E106 HydrophobicContact CB-CG 4.04Å; P80-E106 HydrophobicContact CG-CG 3.6Å; P80-E106 VanDerWaalsContact CG-OE1 3.23Å; P80-E106 WeakPolarHBondContact CG-OE1 3.42Å
81	L	91.4	Very high	89.7	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-61.6	-35.5	-179.6	-72.1	-175	0	0	0	113.6	E79 I83 Y84 R85 E106 Y107 Q110	E79-L81 VanDerWaalsContact C-N 3.28Å; E79-L81 PolarHBondContact O-N 3.14Å; L81-I83 VanDerWaalsContact C-N 3.28Å; L81-I83 PolarHBondContact O-N 3.08Å; L81-Y84 PolarHBondContact O-N 3.36Å; L81-R85 WeakPolarHBondContact O-CG 3.23Å; L81-R85 PolarHBondContact O-N 3.27Å; L81-E106 HydrophobicContact CD2-CB 3.98Å; L81-E106 HydrophobicContact CD2-CG 3.6Å; L81-E106 HydrophobicContact CG-CG 3.95Å; L81-Y107 HydrophobicContact CD1-CD1 3.97Å; L81-Y107 HydrophobicContact CD1-CE1 3.56Å; L81-Y107 HydrophobicContact CD2-CD1 3.99Å; L81-Y107 HydrophobicContact CD2-CD2 4.14Å; L81-Y107 HydrophobicContact CD2-CE1 3.85Å; L81-Y107 HydrophobicContact CD2-CE2 4.05Å; L81-Y107 HydrophobicContact CD2-CG 4.12Å; L81-Y107 HydrophobicContact CG-CE1 4.38Å; L81-Q110 VanDerWaalsContact CD1-CD 3.45Å
82	D	90.8	Very high	89.5	Confident	46 Å²	46	37.9 Å²	37.9	25%	0.246	20%	0.198	C	C	.	.	H	α-helix	trans	-68.7	-33.6	179	-71	-19.2	0	0	0	110.9	E79 P80 R85 Y86 P240	E79-D82 PolarHBondContact O-N 3.07Å; P80-D82 VanDerWaalsContact C-N 3.3Å; P80-D82 PolarHBondContact O-N 3.41Å; D82-R85 PolarHBondContact O-N 3.14Å; D82-R85 IonicContact OD1-CZ 3.94Å; D82-R85 IonicContact OD1-NH1 2.85Å; D82-R85 PolarHBondContact OD1-NH1 3.13Å; D82-Y86 WeakPolarHBondContact O-CB 3.34Å; D82-Y86 PolarHBondContact O-N 3.31Å; D82-P240 HydrophobicContact CB-CB 4.04Å; D82-P240 HydrophobicContact CB-CG 3.89Å
83	I	91.8	Very high	89.4	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-45.2	174.1	-54.1	-55.5	0	0	0	110.7	W70 F73 A74 C77 P80 L81 R85 Y86 M87 P240	W70-I83 HydrophobicContact CE3-CG2 3.77Å; W70-I83 HydrophobicContact CZ3-CG2 4.07Å; F73-I83 HydrophobicContact CD1-CD1 4.32Å; F73-I83 HydrophobicContact CD1-CG2 4.15Å; F73-I83 HydrophobicContact CE1-CD1 3.81Å; F73-I83 HydrophobicContact CE1-CG1 4.44Å; A74-I83 HydrophobicContact CB-CB 3.92Å; A74-I83 HydrophobicContact CB-CG1 4.35Å; A74-I83 HydrophobicContact CB-CG2 3.87Å; C77-I83 HydrophobicContact CB-CG1 4.34Å; P80-I83 WeakPolarHBondContact O-CB 3.26Å; P80-I83 PolarHBondContact O-N 3.33Å; P80-I83 VanDerWaalsContact O-N 3.15Å; L81-I83 VanDerWaalsContact C-N 3.28Å; L81-I83 PolarHBondContact O-N 3.08Å; I83-R85 PolarHBondContact O-N 2.98Å; I83-Y86 WeakPolarHBondContact O-CB 3.45Å; I83-Y86 PolarHBondContact O-N 3.25Å; I83-M87 WeakPolarHBondContact O-CG 3.29Å; I83-M87 PolarHBondContact O-N 3.49Å; I83-P240 HydrophobicContact CD1-CB 3.82Å; I83-P240 HydrophobicContact CD1-CG 3.97Å
84	Y	92.5	Very high	89.4	Confident	5 Å²	5	36.6 Å²	36.6	2%	0.02	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-39.2	177.7	-64	-53.7	0	0	0	112.9	I71 A74 P80 L81 Y86 M87 Q88 L99 A102 W103 E106	I71-Y84 HydrophobicContact CG1-CE1 4.28Å; A74-Y84 HydrophobicContact CB-CE1 4.04Å; A74-Y84 HydrophobicContact CB-CE2 4.24Å; P80-Y84 HydrophobicContact CB-CE2 4.22Å; P80-Y84 VanDerWaalsContact O-CD2 3.23Å; P80-Y84 WeakPolarHBondContact O-CD2 3.42Å; P80-Y84 PolarHBondContact O-N 3.35Å; L81-Y84 PolarHBondContact O-N 3.36Å; Y84-Y86 VanDerWaalsContact C-N 3.33Å; Y84-Y86 PolarHBondContact O-N 3.19Å; Y84-M87 HydrophobicContact CD1-SD 4.13Å; Y84-M87 PolarHBondContact O-N 3.49Å; Y84-Q88 WeakPolarHBondContact O-CB 3.39Å; Y84-Q88 PolarHBondContact O-N 3.33Å; Y84-L99 HydrophobicContact CD1-CD1 3.69Å; Y84-L99 HydrophobicContact CE1-CD1 4.32Å; Y84-A102 HydrophobicContact CE1-CB 4.13Å; Y84-A102 WeakPolarHBondContact OH-CB 3.5Å; Y84-W103 VanDerWaalsContact CB-CD1 3.45Å; Y84-W103 VanDerWaalsContact CB-CG 3.5Å; Y84-W103 HydrophobicContact CD1-CB 4.16Å; Y84-W103 HydrophobicContact CD2-CB 4.01Å; Y84-W103 AromaticContact CD2-CD1 3.57Å; Y84-W103 AromaticContact CD2-CG 3.96Å; Y84-W103 HydrophobicContact CD2-CG 3.96Å; Y84-W103 HydrophobicContact CG-CB 3.82Å; Y84-W103 AromaticContact CG-CD1 3.74Å; Y84-W103 HydrophobicContact CG-CD2 4.48Å; Y84-W103 AromaticContact CG-CG 3.77Å; Y84-W103 HydrophobicContact CG-CG 3.77Å; Y84-E106 HydrophobicContact CE2-CB 4.01Å; Y84-E106 HydrophobicContact CE2-CG 4.34Å
85	R	90.7	Very high	89.3	Confident	81 Å²	81	39.3 Å²	39.3	31%	0.306	21%	0.211	S	C	.	.	H	α-helix	trans	-61.2	-42.3	171.9	-71.6	171.7	-175.3	146.3	5.4	111.6	L81 D82 I83 Q88 A89 W103 Y107	L81-R85 WeakPolarHBondContact O-CG 3.23Å; L81-R85 PolarHBondContact O-N 3.27Å; D82-R85 PolarHBondContact O-N 3.14Å; D82-R85 IonicContact OD1-CZ 3.94Å; D82-R85 IonicContact OD1-NH1 2.85Å; D82-R85 PolarHBondContact OD1-NH1 3.13Å; I83-R85 PolarHBondContact O-N 2.98Å; R85-Q88 PolarHBondContact O-N 3.02Å; R85-A89 WeakPolarHBondContact O-CB 3.42Å; R85-A89 PolarHBondContact O-N 3.45Å; R85-W103 HydrophobicContact CG-CZ2 4.06Å; R85-Y107 PolarHBondContact NH2-OH 2.88Å
86	Y	90.3	Very high	89.6	Confident	12 Å²	12	34.3 Å²	34.3	5%	0.047	19%	0.188	C	C	.	.	H	α-helix	trans	-61.2	-46.3	175.1	176.8	-96.5	0	0	0	111.6	W70 D82 I83 Y84 Q88 A89 Q90 I92 W236 A238 P239	W70-Y86 AromaticContact CH2-CD1 3.9Å; W70-Y86 HydrophobicContact CH2-CD1 3.9Å; W70-Y86 AromaticContact CH2-CE1 3.57Å; W70-Y86 HydrophobicContact CH2-CE1 3.57Å; W70-Y86 HydrophobicContact CZ2-CE1 4.09Å; W70-Y86 HydrophobicContact CZ3-CD1 4.11Å; W70-Y86 HydrophobicContact CZ3-CE1 4.25Å; D82-Y86 WeakPolarHBondContact O-CB 3.34Å; D82-Y86 PolarHBondContact O-N 3.31Å; I83-Y86 WeakPolarHBondContact O-CB 3.45Å; I83-Y86 PolarHBondContact O-N 3.25Å; Y84-Y86 VanDerWaalsContact C-N 3.33Å; Y84-Y86 PolarHBondContact O-N 3.19Å; Y86-Q88 VanDerWaalsContact C-N 3.34Å; Y86-Q88 PolarHBondContact O-N 3.49Å; Y86-A89 PolarHBondContact O-N 2.95Å; Y86-Q90 HydrophobicContact CD1-CG 4.2Å; Y86-Q90 HydrophobicContact CD2-CG 4.13Å; Y86-Q90 HydrophobicContact CE1-CG 3.73Å; Y86-Q90 HydrophobicContact CE2-CG 3.64Å; Y86-Q90 HydrophobicContact CG-CG 4.38Å; Y86-Q90 VanDerWaalsContact CZ-CG 3.42Å; Y86-Q90 WeakPolarHBondContact O-CB 3.41Å; Y86-Q90 WeakPolarHBondContact O-CG 3.46Å; Y86-Q90 PolarHBondContact O-N 2.9Å; Y86-I92 HydrophobicContact CE1-CD1 4.29Å; Y86-W236 HydrophobicContact CD2-CB 3.67Å; Y86-W236 HydrophobicContact CD2-CD2 4.46Å; Y86-W236 HydrophobicContact CD2-CG 4.12Å; Y86-W236 HydrophobicContact CE2-CB 3.98Å; Y86-A238 VanDerWaalsContact CE2-C 3.4Å; Y86-A238 WeakPolarHBondContact CE2-O 3.24Å; Y86-P239 HydrophobicContact CD1-CB 4.38Å; Y86-P239 HydrophobicContact CE1-CB 4Å; Y86-P239 HydrophobicContact CE1-CG 3.92Å; Y86-P239 HydrophobicContact CE2-CB 4.34Å; Y86-P239 HydrophobicContact CE2-CG 4.26Å; Y86-P239 WeakPolarHBondContact OH-CG 3.43Å
87	M	90.6	Very high	90	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.4	-46	176.4	-70.1	176.6	76.5	0	0	111.7	V67 W70 I83 Y84 Q90 G91 I92 L99	V67-M87 HydrophobicContact CG1-CE 4.24Å; W70-M87 HydrophobicContact CB-CE 3.37Å; W70-M87 HydrophobicContact CB-CG 4.39Å; W70-M87 HydrophobicContact CB-SD 3.53Å; W70-M87 VanDerWaalsContact CB-SD 3.53Å; W70-M87 HydrophobicContact CD2-CG 4.16Å; W70-M87 HydrophobicContact CD2-SD 4.39Å; W70-M87 HydrophobicContact CE3-CG 4.19Å; W70-M87 HydrophobicContact CE3-SD 4.49Å; W70-M87 HydrophobicContact CG-CE 3.83Å; W70-M87 HydrophobicContact CG-CG 4.29Å; W70-M87 HydrophobicContact CG-SD 4.05Å; I83-M87 WeakPolarHBondContact O-CG 3.29Å; I83-M87 PolarHBondContact O-N 3.49Å; Y84-M87 HydrophobicContact CD1-SD 4.13Å; Y84-M87 PolarHBondContact O-N 3.49Å; M87-Q90 PolarHBondContact O-N 3.15Å; M87-G91 PolarHBondContact O-N 2.87Å; M87-I92 HydrophobicContact CB-CB 4.21Å; M87-I92 HydrophobicContact CE-CG2 3.92Å; M87-I92 HydrophobicContact CG-CB 4.44Å; M87-I92 PolarHBondContact O-N 2.81Å; M87-L99 HydrophobicContact CB-CD1 4.19Å; M87-L99 HydrophobicContact CB-CD2 4.49Å; M87-L99 HydrophobicContact CE-CD1 3.64Å; M87-L99 HydrophobicContact SD-CD1 3.63Å
88	Q	90.1	Very high	90.4	Very high	47 Å²	47	31 Å²	31	22%	0.22	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-45.7	176.9	-173.4	-161.6	26.6	0	0	111.8	Y84 R85 Y86 G91 W103 E122	Y84-Q88 WeakPolarHBondContact O-CB 3.39Å; Y84-Q88 PolarHBondContact O-N 3.33Å; R85-Q88 PolarHBondContact O-N 3.02Å; Y86-Q88 VanDerWaalsContact C-N 3.34Å; Y86-Q88 PolarHBondContact O-N 3.49Å; Q88-G91 PolarHBondContact O-N 3.44Å; Q88-W103 HydrophobicContact CB-CH2 4.29Å; Q88-W103 HydrophobicContact CB-CZ3 4.15Å; Q88-W103 VanDerWaalsContact CD-CH2 3.45Å; Q88-W103 HydrophobicContact CG-CH2 4.29Å; Q88-W103 HydrophobicContact CG-CZ3 4.14Å; Q88-E122 PolarHBondContact NE2-OE1 3.08Å; Q88-E122 PolarHBondContact NE2-OE2 2.73Å
89	A	88.9	Confident	90.8	Very high	21 Å²	21	27.9 Å²	27.9	17%	0.174	15%	0.151	C	C	.	.	H	α-helix	trans	-65.8	-37.7	-179.7	0	0	0	0	0	112.7	R85 Y86 G91 W236	R85-A89 WeakPolarHBondContact O-CB 3.42Å; R85-A89 PolarHBondContact O-N 3.45Å; Y86-A89 PolarHBondContact O-N 2.95Å; A89-G91 VanDerWaalsContact C-N 3.3Å; A89-W236 HydrophobicContact CB-CG 4.49Å
90	Q	87.2	Confident	91.2	Very high	70 Å²	70	22.5 Å²	22.5	33%	0.327	13%	0.126	S	C	.	.	H	α-helix	trans	-79	-11.1	177.3	-67.5	-55	-41.6	0	0	113.9	Y86 M87 I92 W236	Y86-Q90 HydrophobicContact CD1-CG 4.2Å; Y86-Q90 HydrophobicContact CD2-CG 4.13Å; Y86-Q90 HydrophobicContact CE1-CG 3.73Å; Y86-Q90 HydrophobicContact CE2-CG 3.64Å; Y86-Q90 HydrophobicContact CG-CG 4.38Å; Y86-Q90 VanDerWaalsContact CZ-CG 3.42Å; Y86-Q90 WeakPolarHBondContact O-CB 3.41Å; Y86-Q90 WeakPolarHBondContact O-CG 3.46Å; Y86-Q90 PolarHBondContact O-N 2.9Å; M87-Q90 PolarHBondContact O-N 3.15Å; Q90-I92 HydrophobicContact CB-CD1 3.79Å; Q90-I92 HydrophobicContact CB-CG1 3.8Å; Q90-I92 HydrophobicContact CG-CD1 4.41Å; Q90-W236 PolarHBondContact NE2-O 3.41Å
91	G	87.9	Confident	91.5	Very high	29 Å²	29	22.3 Å²	22.3	30%	0.299	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	18.4	-175	0	0	0	0	0	114.1	M87 Q88 A89	M87-G91 PolarHBondContact O-N 2.87Å; Q88-G91 PolarHBondContact O-N 3.44Å; A89-G91 VanDerWaalsContact C-N 3.3Å
92	I	90.2	Very high	91.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	122.5	179.9	-57.1	168.7	0	0	0	108.9	Y66 W70 Y86 M87 Q90 V94 L99	Y66-I92 HydrophobicContact CD1-CG2 4.04Å; Y66-I92 HydrophobicContact CE1-CG2 3.85Å; W70-I92 HydrophobicContact CZ2-CD1 3.86Å; Y86-I92 HydrophobicContact CE1-CD1 4.29Å; M87-I92 HydrophobicContact CB-CB 4.21Å; M87-I92 HydrophobicContact CE-CG2 3.92Å; M87-I92 HydrophobicContact CG-CB 4.44Å; M87-I92 PolarHBondContact O-N 2.81Å; Q90-I92 HydrophobicContact CB-CD1 3.79Å; Q90-I92 HydrophobicContact CB-CG1 3.8Å; Q90-I92 HydrophobicContact CG-CD1 4.41Å; I92-V94 PolarHBondContact O-N 2.7Å; I92-L99 VanDerWaalsContact O-CD2 3.31Å; I92-L99 WeakPolarHBondContact O-CD2 3.46Å
93	G	88.8	Confident	91.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	17	174.1	0	0	0	0	0	114.6	H61 T95 Q96 L99	H61-G93 WeakPolarHBondContact O-CA 3.45Å; H61-G93 PolarHBondContact O-N 3.23Å; G93-T95 PolarHBondContact O-N 3.38Å; G93-Q96 WeakPolarHBondContact O-CB 3.35Å; G93-Q96 PolarHBondContact O-N 3.11Å; G93-L99 WeakPolarHBondContact O-CD2 3.46Å
94	V	90.3	Very high	92	Very high	26 Å²	26	21 Å²	21	16%	0.158	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.1	-173.7	173.7	0	0	0	0	112.6	I92 Y100 K126	I92-V94 PolarHBondContact O-N 2.7Å; V94-Y100 WeakPolarHBondContact CG1-OH 3.39Å; V94-Y100 WeakPolarHBondContact O-CE2 3.35Å; V94-Y100 PolarHBondContact O-OH 3.27Å; V94-K126 HydrophobicContact CG1-CD 3.34Å; V94-K126 HydrophobicContact CG1-CG 4.5Å
95	T	90.8	Very high	92.1	Very high	58 Å²	58	24.2 Å²	24.2	36%	0.356	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-0.2	173.9	65.8	0	0	0	0	113.2	N62 G93 A128 E129	N62-T95 PolarHBondContact OD1-OG1 2.78Å; G93-T95 PolarHBondContact O-N 3.38Å; T95-A128 CarbonylContact O-C 3.54Å; T95-A128 VanDerWaalsContact O-CA 3.29Å; T95-A128 WeakPolarHBondContact O-CA 3.37Å; T95-E129 PolarHBondContact O-N 3.47Å
96	Q	93.9	Very high	92.3	Very high	29 Å²	29	22.2 Å²	22.2	14%	0.136	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-102.9	122.9	-174.7	-65.1	-61.3	-30.2	0	0	110.6	N62 V67 G93 A98 L99 Y100	N62-Q96 PolarHBondContact O-NE2 3.46Å; V67-Q96 HydrophobicContact CG1-CB 4.32Å; V67-Q96 HydrophobicContact CG2-CB 4.17Å; V67-Q96 HydrophobicContact CG2-CG 3.92Å; G93-Q96 WeakPolarHBondContact O-CB 3.35Å; G93-Q96 PolarHBondContact O-N 3.11Å; Q96-A98 PolarHBondContact O-N 3.33Å; Q96-L99 PolarHBondContact O-N 3.46Å; Q96-Y100 WeakPolarHBondContact O-CD2 3.41Å
97	A	94.4	Very high	92.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.9	-29.5	179.5	0	0	0	0	0	112.3	L99 Y100 I101 A128 E129 L134	A97-L99 VanDerWaalsContact C-N 3.25Å; A97-L99 PolarHBondContact O-N 2.85Å; A97-Y100 PolarHBondContact O-N 3.36Å; A97-I101 HydrophobicContact CB-CD1 4.34Å; A97-I101 VanDerWaalsContact O-CG1 3.26Å; A97-I101 WeakPolarHBondContact O-CG1 3.38Å; A97-I101 PolarHBondContact O-N 3.13Å; A97-A128 HydrophobicContact CB-CB 4.4Å; A97-E129 WeakPolarHBondContact CB-O 3.16Å; A97-E129 PolarHBondContact N-O 2.87Å; A97-L134 HydrophobicContact CB-CB 4.07Å; A97-L134 HydrophobicContact CB-CD1 4.26Å
98	A	94.3	Very high	92.6	Very high	26 Å²	26	23.8 Å²	23.8	22%	0.215	13%	0.134	C	C	.	.	H	α-helix	trans	-55.8	-39.6	179.2	0	0	0	0	0	112.6	V67 I71 Q96 A102	V67-A98 HydrophobicContact CG1-CB 4.44Å; I71-A98 HydrophobicContact CD1-CB 3.94Å; Q96-A98 PolarHBondContact O-N 3.33Å; A98-A102 WeakPolarHBondContact O-CB 3.41Å; A98-A102 PolarHBondContact O-N 3.4Å
99	L	94.7	Very high	92.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-59.8	-53.9	177.2	172.2	59.9	0	0	0	111.4	V67 Y84 M87 I92 G93 Q96 A97 I101 A102 W103	V67-L99 HydrophobicContact CG1-CB 4.13Å; Y84-L99 HydrophobicContact CD1-CD1 3.69Å; Y84-L99 HydrophobicContact CE1-CD1 4.32Å; M87-L99 HydrophobicContact CB-CD1 4.19Å; M87-L99 HydrophobicContact CB-CD2 4.49Å; M87-L99 HydrophobicContact CE-CD1 3.64Å; M87-L99 HydrophobicContact SD-CD1 3.63Å; I92-L99 VanDerWaalsContact O-CD2 3.31Å; I92-L99 WeakPolarHBondContact O-CD2 3.46Å; G93-L99 WeakPolarHBondContact O-CD2 3.46Å; Q96-L99 PolarHBondContact O-N 3.46Å; A97-L99 VanDerWaalsContact C-N 3.25Å; A97-L99 PolarHBondContact O-N 2.85Å; L99-I101 VanDerWaalsContact C-N 3.34Å; L99-I101 PolarHBondContact O-N 2.73Å; L99-A102 PolarHBondContact O-N 3.39Å; L99-W103 VanDerWaalsContact O-CB 3.23Å; L99-W103 WeakPolarHBondContact O-CB 3.33Å; L99-W103 PolarHBondContact O-N 3.02Å
100	Y	95.5	Very high	92.8	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-68.2	-34.8	-176.3	-59.5	-84.8	0	0	0	112.4	V94 Q96 A97 S104 V119 E122 A123 K126 A128	V94-Y100 WeakPolarHBondContact CG1-OH 3.39Å; V94-Y100 WeakPolarHBondContact O-CE2 3.35Å; V94-Y100 PolarHBondContact O-OH 3.27Å; Q96-Y100 WeakPolarHBondContact O-CD2 3.41Å; A97-Y100 PolarHBondContact O-N 3.36Å; Y100-S104 WeakPolarHBondContact O-CB 3.47Å; Y100-S104 PolarHBondContact O-N 3.42Å; Y100-S104 PolarHBondContact O-OG 3.48Å; Y100-V119 HydrophobicContact CD1-CG1 3.94Å; Y100-E122 HydrophobicContact CE1-CG 4.48Å; Y100-A123 HydrophobicContact CD1-CB 3.57Å; Y100-A123 HydrophobicContact CD2-CB 3.56Å; Y100-A123 HydrophobicContact CE1-CB 4.12Å; Y100-A123 HydrophobicContact CE2-CB 4.11Å; Y100-A123 HydrophobicContact CG-CB 3.27Å; Y100-K126 WeakPolarHBondContact OH-CD 3.48Å; Y100-A128 HydrophobicContact CD2-CB 3.85Å; Y100-A128 HydrophobicContact CE2-CB 3.71Å
101	I	95.5	Very high	93	Very high	10 Å²	10	29.9 Å²	29.9	5%	0.051	17%	0.174	C	C	.	.	H	α-helix	trans	-61.3	-56.7	174.7	-67.9	165.7	0	0	0	109.4	A97 L99 W103 S104 E105 Y120 K133 L134 F137	A97-I101 HydrophobicContact CB-CD1 4.34Å; A97-I101 VanDerWaalsContact O-CG1 3.26Å; A97-I101 WeakPolarHBondContact O-CG1 3.38Å; A97-I101 PolarHBondContact O-N 3.13Å; L99-I101 VanDerWaalsContact C-N 3.34Å; L99-I101 PolarHBondContact O-N 2.73Å; I101-W103 VanDerWaalsContact C-N 3.29Å; I101-W103 PolarHBondContact O-N 2.9Å; I101-S104 PolarHBondContact O-N 3.21Å; I101-S104 VanDerWaalsContact O-N 3.15Å; I101-S104 PolarHBondContact O-OG 3.42Å; I101-E105 WeakPolarHBondContact O-CG 3.44Å; I101-E105 PolarHBondContact O-N 2.77Å; I101-Y120 HydrophobicContact CG1-CE1 4.27Å; I101-K133 HydrophobicContact CD1-CD 4.21Å; I101-K133 HydrophobicContact CD1-CG 4.01Å; I101-L134 HydrophobicContact CG1-CD1 4.24Å; I101-F137 HydrophobicContact CD1-CB 4.3Å; I101-F137 HydrophobicContact CD1-CD2 4.04Å; I101-F137 HydrophobicContact CD1-CG 4.06Å; I101-F137 HydrophobicContact CG1-CB 4.1Å; I101-F137 HydrophobicContact CG1-CG 4.2Å; I101-F137 HydrophobicContact CG2-CB 4.46Å; I101-F137 HydrophobicContact CG2-CD1 3.45Å; I101-F137 VanDerWaalsContact CG2-CD1 3.45Å; I101-F137 HydrophobicContact CG2-CE1 3.74Å; I101-F137 HydrophobicContact CG2-CG 3.96Å; I101-F137 HydrophobicContact CG2-CZ 4.46Å
102	A	95.4	Very high	93.2	Very high	14 Å²	14	30.2 Å²	30.2	12%	0.116	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-38.6	-178.9	0	0	0	0	0	112.2	I71 Y84 A98 L99 E105 E106	I71-A102 HydrophobicContact CD1-CB 4.17Å; I71-A102 HydrophobicContact CG1-CB 4.16Å; I71-A102 HydrophobicContact CG2-CB 3.82Å; Y84-A102 HydrophobicContact CE1-CB 4.13Å; Y84-A102 WeakPolarHBondContact OH-CB 3.5Å; A98-A102 WeakPolarHBondContact O-CB 3.41Å; A98-A102 PolarHBondContact O-N 3.4Å; L99-A102 PolarHBondContact O-N 3.39Å; A102-E105 PolarHBondContact O-N 3.09Å; A102-E106 PolarHBondContact O-N 3.29Å; A102-E106 VanDerWaalsContact O-N 3.08Å
103	W	95.3	Very high	93.3	Very high	9 Å²	9	33 Å²	33	3%	0.034	18%	0.183	C	C	.	.	H	α-helix	trans	-66.7	-40.1	176.7	-170.6	14.8	0	0	0	112.8	Y84 R85 Q88 L99 I101 E106 Y107 V119	Y84-W103 VanDerWaalsContact CB-CD1 3.45Å; Y84-W103 VanDerWaalsContact CB-CG 3.5Å; Y84-W103 HydrophobicContact CD1-CB 4.16Å; Y84-W103 HydrophobicContact CD2-CB 4.01Å; Y84-W103 AromaticContact CD2-CD1 3.57Å; Y84-W103 AromaticContact CD2-CG 3.96Å; Y84-W103 HydrophobicContact CD2-CG 3.96Å; Y84-W103 HydrophobicContact CG-CB 3.82Å; Y84-W103 AromaticContact CG-CD1 3.74Å; Y84-W103 HydrophobicContact CG-CD2 4.48Å; Y84-W103 AromaticContact CG-CG 3.77Å; Y84-W103 HydrophobicContact CG-CG 3.77Å; R85-W103 HydrophobicContact CG-CZ2 4.06Å; Q88-W103 HydrophobicContact CB-CH2 4.29Å; Q88-W103 HydrophobicContact CB-CZ3 4.15Å; Q88-W103 VanDerWaalsContact CD-CH2 3.45Å; Q88-W103 HydrophobicContact CG-CH2 4.29Å; Q88-W103 HydrophobicContact CG-CZ3 4.14Å; L99-W103 VanDerWaalsContact O-CB 3.23Å; L99-W103 WeakPolarHBondContact O-CB 3.33Å; L99-W103 PolarHBondContact O-N 3.02Å; I101-W103 VanDerWaalsContact C-N 3.29Å; I101-W103 PolarHBondContact O-N 2.9Å; W103-E106 PolarHBondContact O-N 3.38Å; W103-Y107 AromaticContact CD1-CD2 3.89Å; W103-Y107 AromaticContact CD1-CE2 3.67Å; W103-Y107 AromaticContact CE2-CE2 3.73Å; W103-Y107 HydrophobicContact CG-CE2 4.47Å; W103-Y107 HydrophobicContact CZ2-CE2 4.2Å; W103-Y107 AromaticContact NE1-CD2 3.88Å; W103-Y107 AromaticContact NE1-CE2 3.17Å; W103-Y107 AromaticContact NE1-CZ 3.8Å; W103-Y107 WeakPolarHBondContact O-CD2 3.1Å; W103-Y107 PolarHBondContact O-N 3.43Å; W103-V119 HydrophobicContact CB-CG1 4.13Å; W103-V119 HydrophobicContact CD2-CG1 3.98Å; W103-V119 HydrophobicContact CD2-CG2 3.93Å; W103-V119 HydrophobicContact CE3-CG1 3.72Å; W103-V119 HydrophobicContact CE3-CG2 4.08Å; W103-V119 HydrophobicContact CG-CG1 4.16Å; W103-V119 HydrophobicContact CG-CG2 4.36Å; W103-V119 HydrophobicContact CH2-CG2 4.46Å; W103-V119 HydrophobicContact CZ2-CG2 4.4Å; W103-V119 HydrophobicContact CZ3-CG1 4.41Å; W103-V119 HydrophobicContact CZ3-CG2 4.34Å
104	S	95.4	Very high	93.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.2	-38	176.4	74.5	0	0	0	0	112.7	Y100 I101 E106 Y107 E108 A116 Y120	Y100-S104 WeakPolarHBondContact O-CB 3.47Å; Y100-S104 PolarHBondContact O-N 3.42Å; Y100-S104 PolarHBondContact O-OG 3.48Å; I101-S104 PolarHBondContact O-N 3.21Å; I101-S104 VanDerWaalsContact O-N 3.15Å; I101-S104 PolarHBondContact O-OG 3.42Å; S104-E106 VanDerWaalsContact C-N 3.3Å; S104-E106 PolarHBondContact O-N 2.97Å; S104-Y107 PolarHBondContact O-N 2.85Å; S104-E108 PolarHBondContact O-N 2.95Å; S104-A116 WeakPolarHBondContact O-CB 3.42Å; S104-Y120 WeakPolarHBondContact OG-CE2 3.31Å; S104-Y120 PolarHBondContact OG-OH 3.03Å
105	E	94.9	Very high	93.6	Very high	73 Å²	73	47.2 Å²	47.2	34%	0.341	24%	0.236	S	C	.	.	H	α-helix	trans	-63.9	-38.7	176.3	-75.4	179.8	169.4	0	0	110.5	I101 A102 Y107 E108 N109 F137	I101-E105 WeakPolarHBondContact O-CG 3.44Å; I101-E105 PolarHBondContact O-N 2.77Å; A102-E105 PolarHBondContact O-N 3.09Å; E105-Y107 PolarHBondContact O-N 3.06Å; E105-E108 WeakPolarHBondContact O-CA 3.06Å; E105-E108 WeakPolarHBondContact O-CB 3.41Å; E105-E108 PolarHBondContact O-N 3.29Å; E105-E108 VanDerWaalsContact O-N 3.13Å; E105-N109 VanDerWaalsContact O-CG 3.25Å; E105-N109 PolarHBondContact O-N 2.89Å; E105-N109 PolarHBondContact O-ND2 2.99Å; E105-F137 WeakPolarHBondContact OE1-CE1 3.27Å
106	E	94.8	Very high	93.8	Very high	40 Å²	40	44.4 Å²	44.4	19%	0.187	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-40.8	174.9	-171.1	53.8	-143.8	0	0	112.3	P80 L81 Y84 A102 W103 S104 E108 N109 Q110	P80-E106 HydrophobicContact CB-CG 4.04Å; P80-E106 HydrophobicContact CG-CG 3.6Å; P80-E106 VanDerWaalsContact CG-OE1 3.23Å; P80-E106 WeakPolarHBondContact CG-OE1 3.42Å; L81-E106 HydrophobicContact CD2-CB 3.98Å; L81-E106 HydrophobicContact CD2-CG 3.6Å; L81-E106 HydrophobicContact CG-CG 3.95Å; Y84-E106 HydrophobicContact CE2-CB 4.01Å; Y84-E106 HydrophobicContact CE2-CG 4.34Å; A102-E106 PolarHBondContact O-N 3.29Å; A102-E106 VanDerWaalsContact O-N 3.08Å; W103-E106 PolarHBondContact O-N 3.38Å; S104-E106 VanDerWaalsContact C-N 3.3Å; S104-E106 PolarHBondContact O-N 2.97Å; E106-E108 VanDerWaalsContact C-N 3.31Å; E106-E108 PolarHBondContact O-N 2.92Å; E106-N109 PolarHBondContact O-N 3.42Å; E106-Q110 WeakPolarHBondContact O-CG 3.29Å; E106-Q110 PolarHBondContact O-N 3.31Å; E106-Q110 VanDerWaalsContact O-N 3.11Å; E106-Q110 PolarHBondContact OE1-NE2 3.02Å
107	Y	94.3	Very high	93.9	Very high	18 Å²	18	45 Å²	45	7%	0.071	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-34.1	171.5	-83.1	-57.3	0	0	0	112.9	L81 R85 W103 S104 E105 Q110 G111 S112 K115 V119	L81-Y107 HydrophobicContact CD1-CD1 3.97Å; L81-Y107 HydrophobicContact CD1-CE1 3.56Å; L81-Y107 HydrophobicContact CD2-CD1 3.99Å; L81-Y107 HydrophobicContact CD2-CD2 4.14Å; L81-Y107 HydrophobicContact CD2-CE1 3.85Å; L81-Y107 HydrophobicContact CD2-CE2 4.05Å; L81-Y107 HydrophobicContact CD2-CG 4.12Å; L81-Y107 HydrophobicContact CG-CE1 4.38Å; R85-Y107 PolarHBondContact NH2-OH 2.88Å; W103-Y107 AromaticContact CD1-CD2 3.89Å; W103-Y107 AromaticContact CD1-CE2 3.67Å; W103-Y107 AromaticContact CE2-CE2 3.73Å; W103-Y107 HydrophobicContact CG-CE2 4.47Å; W103-Y107 HydrophobicContact CZ2-CE2 4.2Å; W103-Y107 AromaticContact NE1-CD2 3.88Å; W103-Y107 AromaticContact NE1-CE2 3.17Å; W103-Y107 AromaticContact NE1-CZ 3.8Å; W103-Y107 WeakPolarHBondContact O-CD2 3.1Å; W103-Y107 PolarHBondContact O-N 3.43Å; S104-Y107 PolarHBondContact O-N 2.85Å; E105-Y107 PolarHBondContact O-N 3.06Å; Y107-Q110 PolarHBondContact O-N 3.23Å; Y107-G111 PolarHBondContact O-N 3.31Å; Y107-S112 PolarHBondContact O-N 2.91Å; Y107-K115 HydrophobicContact CD1-CB 3.74Å; Y107-K115 HydrophobicContact CD1-CD 4Å; Y107-K115 HydrophobicContact CD2-CB 4.14Å; Y107-K115 HydrophobicContact CE1-CB 3.91Å; Y107-K115 HydrophobicContact CE1-CD 3.55Å; Y107-K115 HydrophobicContact CE1-CG 4.39Å; Y107-K115 HydrophobicContact CE2-CB 4.26Å; Y107-K115 HydrophobicContact CG-CB 3.88Å; Y107-V119 HydrophobicContact CD2-CG2 3.86Å; Y107-V119 HydrophobicContact CE2-CG2 3.75Å
108	E	93.1	Very high	93.9	Very high	27 Å²	27	49.9 Å²	49.9	13%	0.126	25%	0.249	C	C	.	.	H	α-helix	trans	-64.5	-43.9	174	-170.3	-179.9	177.3	0	0	111.1	S104 E105 E106 Q110 G111 Y113 L141 R144	S104-E108 PolarHBondContact O-N 2.95Å; E105-E108 WeakPolarHBondContact O-CA 3.06Å; E105-E108 WeakPolarHBondContact O-CB 3.41Å; E105-E108 PolarHBondContact O-N 3.29Å; E105-E108 VanDerWaalsContact O-N 3.13Å; E106-E108 VanDerWaalsContact C-N 3.31Å; E106-E108 PolarHBondContact O-N 2.92Å; E108-Q110 VanDerWaalsContact C-N 3.29Å; E108-Q110 PolarHBondContact O-N 3.02Å; E108-G111 WeakPolarHBondContact O-CA 3.46Å; E108-G111 PolarHBondContact O-N 3.15Å; E108-Y113 HydrophobicContact CG-CD1 4.14Å; E108-Y113 HydrophobicContact CG-CE1 3.92Å; E108-L141 HydrophobicContact CB-CD1 4.22Å; E108-L141 VanDerWaalsContact CD-CD1 3.46Å; E108-L141 HydrophobicContact CG-CD1 3.91Å; E108-L141 VanDerWaalsContact OE2-CD1 3.24Å; E108-L141 WeakPolarHBondContact OE2-CD1 3.33Å; E108-R144 IonicContact OE1-CZ 3.85Å; E108-R144 IonicContact OE1-NE 2.73Å; E108-R144 PolarHBondContact OE1-NE 3.26Å; E108-R144 IonicContact OE1-NH2 2.71Å; E108-R144 IonicContact OE2-CZ 3.51Å; E108-R144 IonicContact OE2-NE 2.7Å; E108-R144 PolarHBondContact OE2-NE 3.19Å; E108-R144 IonicContact OE2-NH2 3.73Å; E108-R144 PolarHBondContact OE2-NH2 2.91Å
109	N	92.1	Very high	93.9	Very high	125 Å²	125	48.9 Å²	48.9	67%	0.668	24%	0.24	S	C	*	.	H	α-helix	trans	-61	-36.4	176.5	-70.2	-24.2	0	0	0	112.3	E105 E106 G111	E105-N109 VanDerWaalsContact O-CG 3.25Å; E105-N109 PolarHBondContact O-N 2.89Å; E105-N109 PolarHBondContact O-ND2 2.99Å; E106-N109 PolarHBondContact O-N 3.42Å; N109-G111 PolarHBondContact O-N 3.2Å
110	Q	90.9	Very high	93.9	Very high	100 Å²	100	48.9 Å²	48.9	47%	0.467	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-1.3	174.1	-63.9	-174.7	20.8	0	0	113.8	L81 E106 Y107 E108 S112	L81-Q110 VanDerWaalsContact CD1-CD 3.45Å; E106-Q110 WeakPolarHBondContact O-CG 3.29Å; E106-Q110 PolarHBondContact O-N 3.31Å; E106-Q110 VanDerWaalsContact O-N 3.11Å; E106-Q110 PolarHBondContact OE1-NE2 3.02Å; Y107-Q110 PolarHBondContact O-N 3.23Å; E108-Q110 VanDerWaalsContact C-N 3.29Å; E108-Q110 PolarHBondContact O-N 3.02Å; Q110-S112 VanDerWaalsContact C-N 3.34Å
111	G	89.9	Confident	93.9	Very high	40 Å²	40	52.7 Å²	52.7	41%	0.412	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	12.5	179.7	0	0	0	0	0	114.8	Y107 E108 N109 Y113	Y107-G111 PolarHBondContact O-N 3.31Å; E108-G111 WeakPolarHBondContact O-CA 3.46Å; E108-G111 PolarHBondContact O-N 3.15Å; N109-G111 PolarHBondContact O-N 3.2Å; G111-Y113 PolarHBondContact O-N 3.43Å
112	S	92.4	Very high	93.8	Very high	37 Å²	37	54.3 Å²	54.3	26%	0.259	27%	0.265	S	S	.	.			trans	-97.7	68.9	-178.1	-155.1	0	0	0	0	112.5	Y107 Q110 R114 K115 A116	Y107-S112 PolarHBondContact O-N 2.91Å; Q110-S112 VanDerWaalsContact C-N 3.34Å; S112-R114 VanDerWaalsContact C-N 3.28Å; S112-R114 PolarHBondContact O-N 3.46Å; S112-K115 PolarHBondContact O-N 2.99Å; S112-K115 VanDerWaalsContact O-N 3.13Å; S112-A116 PolarHBondContact O-N 3.32Å; S112-A116 VanDerWaalsContact O-N 3.11Å
113	Y	92.8	Very high	93.7	Very high	59 Å²	59	53.6 Å²	53.6	23%	0.231	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-32.9	-175.5	-48.3	-64.7	0	0	0	114.3	E108 G111 A116 D117 V145 Q148	E108-Y113 HydrophobicContact CG-CD1 4.14Å; E108-Y113 HydrophobicContact CG-CE1 3.92Å; G111-Y113 PolarHBondContact O-N 3.43Å; Y113-A116 PolarHBondContact O-N 3.26Å; Y113-D117 PolarHBondContact O-N 3.46Å; Y113-V145 HydrophobicContact CD1-CG2 3.53Å; Y113-V145 HydrophobicContact CE1-CG2 4.28Å; Y113-V145 HydrophobicContact CG-CG1 4.27Å; Y113-V145 HydrophobicContact CG-CG2 3.78Å; Y113-Q148 VanDerWaalsContact CZ-OE1 3.27Å; Y113-Q148 PolarHBondContact OH-OE1 3.33Å
114	R	92.6	Very high	93.7	Very high	222 Å²	222	55.5 Å²	55.5	84%	0.838	27%	0.268	S	S	*	.	H	α-helix	trans	-63.8	-41.9	177.3	-67.2	-175.7	-175.4	176.1	1.6	111.5	S112 D117 L118	S112-R114 VanDerWaalsContact C-N 3.28Å; S112-R114 PolarHBondContact O-N 3.46Å; R114-D117 PolarHBondContact O-N 3.23Å; R114-L118 WeakPolarHBondContact O-CG 3.27Å; R114-L118 PolarHBondContact O-N 3.28Å; R114-L118 VanDerWaalsContact O-N 3.16Å
115	K	93.3	Very high	93.6	Very high	102 Å²	102	63.1 Å²	63.1	44%	0.443	30%	0.301	S	S	.	.	H	α-helix	trans	-69.8	-39.4	177.4	-67.9	-174	-178.2	179	0	111	Y107 S112 D117 L118 V119	Y107-K115 HydrophobicContact CD1-CB 3.74Å; Y107-K115 HydrophobicContact CD1-CD 4Å; Y107-K115 HydrophobicContact CD2-CB 4.14Å; Y107-K115 HydrophobicContact CE1-CB 3.91Å; Y107-K115 HydrophobicContact CE1-CD 3.55Å; Y107-K115 HydrophobicContact CE1-CG 4.39Å; Y107-K115 HydrophobicContact CE2-CB 4.26Å; Y107-K115 HydrophobicContact CG-CB 3.88Å; S112-K115 PolarHBondContact O-N 2.99Å; S112-K115 VanDerWaalsContact O-N 3.13Å; K115-D117 VanDerWaalsContact C-N 3.32Å; K115-D117 PolarHBondContact O-N 2.66Å; K115-L118 PolarHBondContact O-N 2.67Å; K115-V119 WeakPolarHBondContact O-CG2 3.49Å; K115-V119 PolarHBondContact O-N 3.32Å; K115-V119 VanDerWaalsContact O-N 3.07Å
116	A	94.6	Very high	93.4	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.4	-44.3	174.3	0	0	0	0	0	112.1	S104 S112 Y113 V119 Y120 L141	S104-A116 WeakPolarHBondContact O-CB 3.42Å; S112-A116 PolarHBondContact O-N 3.32Å; S112-A116 VanDerWaalsContact O-N 3.11Å; Y113-A116 PolarHBondContact O-N 3.26Å; A116-V119 PolarHBondContact O-N 3.41Å; A116-Y120 WeakPolarHBondContact O-CD2 3.44Å; A116-Y120 PolarHBondContact O-N 3.02Å; A116-L141 HydrophobicContact CB-CD1 4.47Å; A116-L141 HydrophobicContact CB-CD2 3.89Å
117	D	94.8	Very high	93.1	Very high	41 Å²	41	69.4 Å²	69.4	22%	0.219	33%	0.327	C	S	.	.	H	α-helix	trans	-64.4	-41.5	176.6	-170.1	71.5	0	0	0	112.3	Y113 R114 K115 V119 Y120 Q121 H138	Y113-D117 PolarHBondContact O-N 3.46Å; R114-D117 PolarHBondContact O-N 3.23Å; K115-D117 VanDerWaalsContact C-N 3.32Å; K115-D117 PolarHBondContact O-N 2.66Å; D117-V119 VanDerWaalsContact C-N 3.28Å; D117-V119 PolarHBondContact O-N 2.94Å; D117-Y120 WeakPolarHBondContact O-CB 3.41Å; D117-Y120 PolarHBondContact O-N 3.27Å; D117-Y120 VanDerWaalsContact O-N 3.14Å; D117-Q121 WeakPolarHBondContact O-CG 3.42Å; D117-Q121 PolarHBondContact O-N 3.38Å; D117-Q121 PolarHBondContact OD2-NE2 3.45Å; D117-H138 IonicContact OD1-CD2 3.04Å; D117-H138 IonicContact OD1-CE1 2.67Å; D117-H138 IonicContact OD1-NE2 2.75Å; D117-H138 PolarHBondContact OD1-NE2 3.21Å
118	L	94.9	Very high	93	Very high	102 Å²	102	68.6 Å²	68.6	53%	0.534	32%	0.324	S	S	.	.	H	α-helix	trans	-59.5	-38.3	175.8	-71.7	171.8	0	0	0	112.5	R114 K115 Q121 E122	R114-L118 WeakPolarHBondContact O-CG 3.27Å; R114-L118 PolarHBondContact O-N 3.28Å; R114-L118 VanDerWaalsContact O-N 3.16Å; K115-L118 PolarHBondContact O-N 2.67Å; L118-Q121 PolarHBondContact O-N 2.99Å; L118-E122 PolarHBondContact O-N 3.14Å
119	V	95.3	Very high	93	Very high	6 Å²	6	74 Å²	74	4%	0.036	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-42.1	175.7	172.4	0	0	0	0	111.1	Y100 W103 Y107 K115 A116 D117 E122 A123	Y100-V119 HydrophobicContact CD1-CG1 3.94Å; W103-V119 HydrophobicContact CB-CG1 4.13Å; W103-V119 HydrophobicContact CD2-CG1 3.98Å; W103-V119 HydrophobicContact CD2-CG2 3.93Å; W103-V119 HydrophobicContact CE3-CG1 3.72Å; W103-V119 HydrophobicContact CE3-CG2 4.08Å; W103-V119 HydrophobicContact CG-CG1 4.16Å; W103-V119 HydrophobicContact CG-CG2 4.36Å; W103-V119 HydrophobicContact CH2-CG2 4.46Å; W103-V119 HydrophobicContact CZ2-CG2 4.4Å; W103-V119 HydrophobicContact CZ3-CG1 4.41Å; W103-V119 HydrophobicContact CZ3-CG2 4.34Å; Y107-V119 HydrophobicContact CD2-CG2 3.86Å; Y107-V119 HydrophobicContact CE2-CG2 3.75Å; K115-V119 WeakPolarHBondContact O-CG2 3.49Å; K115-V119 PolarHBondContact O-N 3.32Å; K115-V119 VanDerWaalsContact O-N 3.07Å; A116-V119 PolarHBondContact O-N 3.41Å; D117-V119 VanDerWaalsContact C-N 3.28Å; D117-V119 PolarHBondContact O-N 2.94Å; V119-E122 PolarHBondContact O-N 2.92Å; V119-A123 PolarHBondContact O-N 3.18Å
120	Y	95.1	Very high	93.1	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-63.5	-43.9	173.5	-80.4	-69.6	0	0	0	112.2	I101 S104 A116 D117 E122 A123 F124 L134 F137 H138 L141	I101-Y120 HydrophobicContact CG1-CE1 4.27Å; S104-Y120 WeakPolarHBondContact OG-CE2 3.31Å; S104-Y120 PolarHBondContact OG-OH 3.03Å; A116-Y120 WeakPolarHBondContact O-CD2 3.44Å; A116-Y120 PolarHBondContact O-N 3.02Å; D117-Y120 WeakPolarHBondContact O-CB 3.41Å; D117-Y120 PolarHBondContact O-N 3.27Å; D117-Y120 VanDerWaalsContact O-N 3.14Å; Y120-E122 VanDerWaalsContact C-N 3.26Å; Y120-E122 PolarHBondContact O-N 3.35Å; Y120-A123 VanDerWaalsContact O-CB 3.32Å; Y120-A123 WeakPolarHBondContact O-CB 3.23Å; Y120-A123 PolarHBondContact O-N 3.38Å; Y120-A123 VanDerWaalsContact O-N 3.13Å; Y120-F124 WeakPolarHBondContact O-CD2 3.44Å; Y120-F124 PolarHBondContact O-N 3.21Å; Y120-L134 HydrophobicContact CD1-CD1 3.71Å; Y120-L134 HydrophobicContact CD1-CG 4.32Å; Y120-L134 HydrophobicContact CE1-CD1 3.89Å; Y120-F137 HydrophobicContact CE1-CB 4.16Å; Y120-H138 HydrophobicContact CD1-CB 3.74Å; Y120-H138 HydrophobicContact CD2-CB 4.43Å; Y120-H138 AromaticContact CD2-CD2 3.68Å; Y120-H138 HydrophobicContact CE1-CB 4.06Å; Y120-H138 HydrophobicContact CG-CB 3.96Å; Y120-H138 AromaticContact CG-CD2 3.61Å; Y120-H138 AromaticContact CG-CG 3.95Å; Y120-L141 HydrophobicContact CD2-CD2 3.74Å; Y120-L141 HydrophobicContact CE2-CB 4.21Å; Y120-L141 HydrophobicContact CE2-CD2 3.62Å; Y120-L141 HydrophobicContact CE2-CG 4.48Å
121	Q	94.7	Very high	93.2	Very high	82 Å²	82	71.2 Å²	71.2	38%	0.383	34%	0.339	S	S	.	.	H	α-helix	trans	-59.3	-40.1	176.4	-68	-179	13.2	0	0	111.7	D117 L118 F124 K125	D117-Q121 WeakPolarHBondContact O-CG 3.42Å; D117-Q121 PolarHBondContact O-N 3.38Å; D117-Q121 PolarHBondContact OD2-NE2 3.45Å; L118-Q121 PolarHBondContact O-N 2.99Å; Q121-F124 PolarHBondContact O-N 2.98Å; Q121-K125 WeakPolarHBondContact O-CG 3.45Å; Q121-K125 PolarHBondContact O-N 3.23Å; Q121-K125 VanDerWaalsContact O-N 3.09Å
122	E	93.4	Very high	93.4	Very high	43 Å²	43	75.1 Å²	75.1	20%	0.201	35%	0.35	C	S	.	.	H	α-helix	trans	-63.9	-43.5	174.2	-166.5	-172.4	153.8	0	0	112.1	Q88 Y100 L118 V119 Y120 F124 K125 K126	Q88-E122 PolarHBondContact NE2-OE1 3.08Å; Q88-E122 PolarHBondContact NE2-OE2 2.73Å; Y100-E122 HydrophobicContact CE1-CG 4.48Å; L118-E122 PolarHBondContact O-N 3.14Å; V119-E122 PolarHBondContact O-N 2.92Å; Y120-E122 VanDerWaalsContact C-N 3.26Å; Y120-E122 PolarHBondContact O-N 3.35Å; E122-F124 VanDerWaalsContact C-N 3.27Å; E122-F124 PolarHBondContact O-N 3.26Å; E122-K125 WeakPolarHBondContact O-CB 3.38Å; E122-K125 PolarHBondContact O-N 2.74Å; E122-K125 VanDerWaalsContact O-N 3.12Å; E122-K126 HydrophobicContact CG-CD 4.48Å; E122-K126 PolarHBondContact O-N 3.25Å; E122-K126 VanDerWaalsContact OE1-CE 3.31Å; E122-K126 WeakPolarHBondContact OE1-CE 3.37Å; E122-K126 IonicContact OE1-NZ 3.69Å; E122-K126 PolarHBondContact OE1-NZ 3.13Å
123	A	94.1	Very high	93.5	Very high	0 Å²	0	78 Å²	78	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-57.5	-40.7	177	0	0	0	0	0	112.3	Y100 V119 Y120 K126 F127 A128 L134	Y100-A123 HydrophobicContact CD1-CB 3.57Å; Y100-A123 HydrophobicContact CD2-CB 3.56Å; Y100-A123 HydrophobicContact CE1-CB 4.12Å; Y100-A123 HydrophobicContact CE2-CB 4.11Å; Y100-A123 HydrophobicContact CG-CB 3.27Å; V119-A123 PolarHBondContact O-N 3.18Å; Y120-A123 VanDerWaalsContact O-CB 3.32Å; Y120-A123 WeakPolarHBondContact O-CB 3.23Å; Y120-A123 PolarHBondContact O-N 3.38Å; Y120-A123 VanDerWaalsContact O-N 3.13Å; A123-K126 CarbonylContact O-C 3.56Å; A123-K126 PolarHBondContact O-N 3.16Å; A123-F127 PolarHBondContact O-N 3.42Å; A123-F127 VanDerWaalsContact O-N 3.14Å; A123-A128 HydrophobicContact CB-CB 4.42Å; A123-A128 PolarHBondContact O-N 3.01Å; A123-A128 VanDerWaalsContact O-N 3.11Å; A123-L134 HydrophobicContact CB-CD1 3.75Å; A123-L134 HydrophobicContact CB-CD2 3.61Å; A123-L134 HydrophobicContact CB-CG 4.27Å
124	F	93.9	Very high	93.6	Very high	49 Å²	49	75.2 Å²	75.2	22%	0.215	35%	0.347	C	S	.	.	H	α-helix	trans	-67.2	-41.9	175.2	-67.6	-57.1	0	0	0	112.4	Y120 Q121 E122 K126 F127 H131 L134 L135 H138	Y120-F124 WeakPolarHBondContact O-CD2 3.44Å; Y120-F124 PolarHBondContact O-N 3.21Å; Q121-F124 PolarHBondContact O-N 2.98Å; E122-F124 VanDerWaalsContact C-N 3.27Å; E122-F124 PolarHBondContact O-N 3.26Å; F124-K126 PolarHBondContact O-N 2.84Å; F124-F127 PolarHBondContact O-N 3.36Å; F124-F127 VanDerWaalsContact O-N 3.14Å; F124-H131 AromaticContact CD1-CE1 3.56Å; F124-H131 AromaticContact CE1-CE1 3.72Å; F124-L134 HydrophobicContact CD1-CD2 3.58Å; F124-L134 HydrophobicContact CD1-CG 4.37Å; F124-L134 HydrophobicContact CE1-CB 4.41Å; F124-L134 HydrophobicContact CE1-CD2 3.53Å; F124-L134 HydrophobicContact CE1-CG 3.82Å; F124-L134 HydrophobicContact CG-CD2 4.25Å; F124-L134 HydrophobicContact CZ-CD2 4.13Å; F124-L134 HydrophobicContact CZ-CG 4.03Å; F124-L135 HydrophobicContact CZ-CD1 4.22Å; F124-H138 HydrophobicContact CE2-CB 4.27Å; F124-H138 AromaticContact CE2-CG 3.99Å; F124-H138 AromaticContact CE2-ND1 3.46Å; F124-H138 WeakPolarHBondContact CE2-ND1 3.28Å; F124-H138 HydrophobicContact CZ-CB 4.14Å; F124-H138 AromaticContact CZ-ND1 3.92Å
125	K	93.4	Very high	93.8	Very high	160 Å²	160	67.4 Å²	67.4	70%	0.696	32%	0.322	S	S	*	.	H	α-helix	trans	-60	-32.9	175.2	-71.9	174.4	-177.1	180	0	112.2	Q121 E122	Q121-K125 WeakPolarHBondContact O-CG 3.45Å; Q121-K125 PolarHBondContact O-N 3.23Å; Q121-K125 VanDerWaalsContact O-N 3.09Å; E122-K125 WeakPolarHBondContact O-CB 3.38Å; E122-K125 PolarHBondContact O-N 2.74Å; E122-K125 VanDerWaalsContact O-N 3.12Å
126	K	90.1	Very high	93.9	Very high	79 Å²	79	69 Å²	69	34%	0.343	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	6.6	179.9	-62.8	-167.5	179.6	162.9	0	114.1	V94 Y100 E122 A123 F124 A128	V94-K126 HydrophobicContact CG1-CD 3.34Å; V94-K126 HydrophobicContact CG1-CG 4.5Å; Y100-K126 WeakPolarHBondContact OH-CD 3.48Å; E122-K126 HydrophobicContact CG-CD 4.48Å; E122-K126 PolarHBondContact O-N 3.25Å; E122-K126 VanDerWaalsContact OE1-CE 3.31Å; E122-K126 WeakPolarHBondContact OE1-CE 3.37Å; E122-K126 IonicContact OE1-NZ 3.69Å; E122-K126 PolarHBondContact OE1-NZ 3.13Å; A123-K126 CarbonylContact O-C 3.56Å; A123-K126 PolarHBondContact O-N 3.16Å; F124-K126 PolarHBondContact O-N 2.84Å; K126-A128 VanDerWaalsContact C-N 3.3Å; K126-A128 PolarHBondContact O-N 3.15Å
127	F	90.4	Very high	94	Very high	166 Å²	166	71.9 Å²	71.9	73%	0.728	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	45.6	178.1	-59.3	-82.8	0	0	0	113.4	A123 F124	A123-F127 PolarHBondContact O-N 3.42Å; A123-F127 VanDerWaalsContact O-N 3.14Å; F124-F127 PolarHBondContact O-N 3.36Å; F124-F127 VanDerWaalsContact O-N 3.14Å
128	A	91.9	Very high	94.1	Very high	0 Å²	0	71 Å²	71	0%	0	34%	0.338	C	S	.	.			trans	-65.3	137.2	-178.4	0	0	0	0	0	112.5	T95 A97 Y100 A123 K126 L134	T95-A128 CarbonylContact O-C 3.54Å; T95-A128 VanDerWaalsContact O-CA 3.29Å; T95-A128 WeakPolarHBondContact O-CA 3.37Å; A97-A128 HydrophobicContact CB-CB 4.4Å; Y100-A128 HydrophobicContact CD2-CB 3.85Å; Y100-A128 HydrophobicContact CE2-CB 3.71Å; A123-A128 HydrophobicContact CB-CB 4.42Å; A123-A128 PolarHBondContact O-N 3.01Å; A123-A128 VanDerWaalsContact O-N 3.11Å; K126-A128 VanDerWaalsContact C-N 3.3Å; K126-A128 PolarHBondContact O-N 3.15Å; A128-L134 HydrophobicContact CB-CD2 4.46Å
129	E	92.1	Very high	94.1	Very high	140 Å²	140	71.8 Å²	71.8	65%	0.654	34%	0.337	S	S	*	.	B	Isolated β-bridge	trans	-105.3	146.8	-179.1	-65.6	-164.5	152.7	0	0	112.1	T95 A97	T95-E129 PolarHBondContact O-N 3.47Å; A97-E129 WeakPolarHBondContact CB-O 3.16Å; A97-E129 PolarHBondContact N-O 2.87Å
130	P	95.2	Very high	94.2	Very high	77 Å²	77	73.2 Å²	73.2	50%	0.5	35%	0.35	S	S	.	.	S	Bend	cis	-75.6	128.3	-4.7	-16.2	31.8	0	0	0	112.9	D132 K133 L134	P130-D132 PolarHBondContact O-N 3.29Å; P130-K133 HydrophobicContact CB-CB 4.25Å; P130-K133 PolarHBondContact O-N 3.07Å; P130-L134 PolarHBondContact O-N 3.14Å; P130-L134 VanDerWaalsContact O-N 3.15Å
131	H	92.1	Very high	94.2	Very high	90 Å²	90	73.4 Å²	73.4	42%	0.417	35%	0.35	S	S	.	.	H	α-helix	trans	-62.7	-40.1	-176.6	-173.4	80.5	0	0	0	113	F124 K133 L134 L135	F124-H131 AromaticContact CD1-CE1 3.56Å; F124-H131 AromaticContact CE1-CE1 3.72Å; H131-K133 VanDerWaalsContact C-N 3.29Å; H131-K133 PolarHBondContact O-N 2.96Å; H131-L134 WeakPolarHBondContact O-CB 3.08Å; H131-L134 PolarHBondContact O-N 3.34Å; H131-L135 PolarHBondContact O-N 2.79Å
132	D	94.6	Very high	94.2	Very high	123 Å²	123	74.1 Å²	74.1	66%	0.658	35%	0.354	S	S	*	.	H	α-helix	trans	-60.4	-40.8	179	-68.8	-18.9	0	0	0	111.9	P130 L135 Q136	P130-D132 PolarHBondContact O-N 3.29Å; D132-L135 PolarHBondContact O-N 3.4Å; D132-Q136 WeakPolarHBondContact O-CG 3.33Å; D132-Q136 PolarHBondContact O-N 3.26Å
133	K	94.4	Very high	94.3	Very high	97 Å²	97	74.8 Å²	74.8	42%	0.422	37%	0.367	S	S	.	.	H	α-helix	trans	-65.5	-46.3	177	-169.5	179.6	-179.8	-175	0	110.1	I101 P130 H131 L135 Q136 F137	I101-K133 HydrophobicContact CD1-CD 4.21Å; I101-K133 HydrophobicContact CD1-CG 4.01Å; P130-K133 HydrophobicContact CB-CB 4.25Å; P130-K133 PolarHBondContact O-N 3.07Å; H131-K133 VanDerWaalsContact C-N 3.29Å; H131-K133 PolarHBondContact O-N 2.96Å; K133-L135 VanDerWaalsContact C-N 3.32Å; K133-L135 PolarHBondContact O-N 2.99Å; K133-Q136 PolarHBondContact O-N 3.42Å; K133-F137 HydrophobicContact CD-CE2 4.43Å; K133-F137 HydrophobicContact CG-CD2 3.85Å; K133-F137 HydrophobicContact CG-CE2 3.83Å; K133-F137 VanDerWaalsContact O-CD2 3.29Å; K133-F137 WeakPolarHBondContact O-CD2 3Å; K133-F137 PolarHBondContact O-N 2.91Å
134	L	94.9	Very high	94.3	Very high	0 Å²	0	79 Å²	79	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-56.7	-46	177.2	-173.2	69.7	0	0	0	111.7	A97 I101 Y120 A123 F124 A128 P130 H131 F137 H138	A97-L134 HydrophobicContact CB-CB 4.07Å; A97-L134 HydrophobicContact CB-CD1 4.26Å; I101-L134 HydrophobicContact CG1-CD1 4.24Å; Y120-L134 HydrophobicContact CD1-CD1 3.71Å; Y120-L134 HydrophobicContact CD1-CG 4.32Å; Y120-L134 HydrophobicContact CE1-CD1 3.89Å; A123-L134 HydrophobicContact CB-CD1 3.75Å; A123-L134 HydrophobicContact CB-CD2 3.61Å; A123-L134 HydrophobicContact CB-CG 4.27Å; F124-L134 HydrophobicContact CD1-CD2 3.58Å; F124-L134 HydrophobicContact CD1-CG 4.37Å; F124-L134 HydrophobicContact CE1-CB 4.41Å; F124-L134 HydrophobicContact CE1-CD2 3.53Å; F124-L134 HydrophobicContact CE1-CG 3.82Å; F124-L134 HydrophobicContact CG-CD2 4.25Å; F124-L134 HydrophobicContact CZ-CD2 4.13Å; F124-L134 HydrophobicContact CZ-CG 4.03Å; A128-L134 HydrophobicContact CB-CD2 4.46Å; P130-L134 PolarHBondContact O-N 3.14Å; P130-L134 VanDerWaalsContact O-N 3.15Å; H131-L134 WeakPolarHBondContact O-CB 3.08Å; H131-L134 PolarHBondContact O-N 3.34Å; L134-F137 PolarHBondContact O-N 3.12Å; L134-H138 WeakPolarHBondContact O-CB 3.46Å; L134-H138 PolarHBondContact O-N 3.05Å
135	L	95.9	Very high	94.3	Very high	59 Å²	59	78.7 Å²	78.7	31%	0.309	38%	0.384	S	S	.	.	H	α-helix	trans	-65.6	-41.1	179.1	-175.3	64.9	0	0	0	112.6	F124 H131 D132 K133 H138 K139	F124-L135 HydrophobicContact CZ-CD1 4.22Å; H131-L135 PolarHBondContact O-N 2.79Å; D132-L135 PolarHBondContact O-N 3.4Å; K133-L135 VanDerWaalsContact C-N 3.32Å; K133-L135 PolarHBondContact O-N 2.99Å; L135-H138 PolarHBondContact O-N 3.15Å; L135-K139 HydrophobicContact CG-CD 4.43Å; L135-K139 WeakPolarHBondContact O-CG 3.47Å; L135-K139 PolarHBondContact O-N 3.01Å
136	Q	96.8	Very high	94.2	Very high	135 Å²	135	74.2 Å²	74.2	63%	0.631	37%	0.373	S	S	*	.	H	α-helix	trans	-60.5	-47.1	175.7	-79.7	-177.4	1	0	0	111.6	D132 K133 K139 A140	D132-Q136 WeakPolarHBondContact O-CG 3.33Å; D132-Q136 PolarHBondContact O-N 3.26Å; K133-Q136 PolarHBondContact O-N 3.42Å; Q136-K139 PolarHBondContact O-N 2.99Å; Q136-A140 WeakPolarHBondContact O-CB 3.48Å; Q136-A140 PolarHBondContact O-N 3.19Å
137	F	95.6	Very high	94.4	Very high	60 Å²	60	78.2 Å²	78.2	26%	0.263	39%	0.386	S	S	.	.	H	α-helix	trans	-67.2	-38.6	180	-87.4	-99.6	0	0	0	112.2	I101 E105 Y120 K133 L134 A140 L141	I101-F137 HydrophobicContact CD1-CB 4.3Å; I101-F137 HydrophobicContact CD1-CD2 4.04Å; I101-F137 HydrophobicContact CD1-CG 4.06Å; I101-F137 HydrophobicContact CG1-CB 4.1Å; I101-F137 HydrophobicContact CG1-CG 4.2Å; I101-F137 HydrophobicContact CG2-CB 4.46Å; I101-F137 HydrophobicContact CG2-CD1 3.45Å; I101-F137 VanDerWaalsContact CG2-CD1 3.45Å; I101-F137 HydrophobicContact CG2-CE1 3.74Å; I101-F137 HydrophobicContact CG2-CG 3.96Å; I101-F137 HydrophobicContact CG2-CZ 4.46Å; E105-F137 WeakPolarHBondContact OE1-CE1 3.27Å; Y120-F137 HydrophobicContact CE1-CB 4.16Å; K133-F137 HydrophobicContact CD-CE2 4.43Å; K133-F137 HydrophobicContact CG-CD2 3.85Å; K133-F137 HydrophobicContact CG-CE2 3.83Å; K133-F137 VanDerWaalsContact O-CD2 3.29Å; K133-F137 WeakPolarHBondContact O-CD2 3Å; K133-F137 PolarHBondContact O-N 2.91Å; L134-F137 PolarHBondContact O-N 3.12Å; F137-A140 WeakPolarHBondContact O-CB 3.4Å; F137-A140 PolarHBondContact O-N 3.07Å; F137-L141 PolarHBondContact O-N 3.34Å
138	H	96.7	Very high	94.4	Very high	22 Å²	22	73.6 Å²	73.6	10%	0.102	37%	0.367	C	S	.	.	H	α-helix	trans	-61.7	-45.7	174.5	-175.6	-143.8	0	0	0	112.3	D117 Y120 F124 L134 L135 A140 L141 Q142	D117-H138 IonicContact OD1-CD2 3.04Å; D117-H138 IonicContact OD1-CE1 2.67Å; D117-H138 IonicContact OD1-NE2 2.75Å; D117-H138 PolarHBondContact OD1-NE2 3.21Å; Y120-H138 HydrophobicContact CD1-CB 3.74Å; Y120-H138 HydrophobicContact CD2-CB 4.43Å; Y120-H138 AromaticContact CD2-CD2 3.68Å; Y120-H138 HydrophobicContact CE1-CB 4.06Å; Y120-H138 HydrophobicContact CG-CB 3.96Å; Y120-H138 AromaticContact CG-CD2 3.61Å; Y120-H138 AromaticContact CG-CG 3.95Å; F124-H138 HydrophobicContact CE2-CB 4.27Å; F124-H138 AromaticContact CE2-CG 3.99Å; F124-H138 AromaticContact CE2-ND1 3.46Å; F124-H138 WeakPolarHBondContact CE2-ND1 3.28Å; F124-H138 HydrophobicContact CZ-CB 4.14Å; F124-H138 AromaticContact CZ-ND1 3.92Å; L134-H138 WeakPolarHBondContact O-CB 3.46Å; L134-H138 PolarHBondContact O-N 3.05Å; L135-H138 PolarHBondContact O-N 3.15Å; H138-A140 VanDerWaalsContact C-N 3.3Å; H138-A140 PolarHBondContact O-N 2.93Å; H138-L141 WeakPolarHBondContact O-CB 3.45Å; H138-L141 PolarHBondContact O-N 3.33Å; H138-Q142 PolarHBondContact CE1-NE2 3.23Å; H138-Q142 PolarHBondContact NE2-NE2 3.49Å; H138-Q142 WeakPolarHBondContact O-CG 3.46Å; H138-Q142 PolarHBondContact O-N 3.23Å
139	K	96.6	Very high	94.3	Very high	120 Å²	120	76.4 Å²	76.4	52%	0.522	39%	0.39	S	S	.	.	H	α-helix	trans	-61.5	-39.2	174.1	-73.4	176.4	-179.9	176.6	0	111.9	L135 Q136 Q142 A143	L135-K139 HydrophobicContact CG-CD 4.43Å; L135-K139 WeakPolarHBondContact O-CG 3.47Å; L135-K139 PolarHBondContact O-N 3.01Å; Q136-K139 PolarHBondContact O-N 2.99Å; K139-Q142 PolarHBondContact O-N 2.69Å; K139-A143 WeakPolarHBondContact O-CB 3.44Å; K139-A143 PolarHBondContact O-N 3.31Å
140	A	96.2	Very high	94.2	Very high	36 Å²	36	75.5 Å²	75.5	30%	0.298	39%	0.389	S	S	.	.	H	α-helix	trans	-64.2	-42.3	177.2	0	0	0	0	0	111.7	Q136 F137 H138 A143 R144	Q136-A140 WeakPolarHBondContact O-CB 3.48Å; Q136-A140 PolarHBondContact O-N 3.19Å; F137-A140 WeakPolarHBondContact O-CB 3.4Å; F137-A140 PolarHBondContact O-N 3.07Å; H138-A140 VanDerWaalsContact C-N 3.3Å; H138-A140 PolarHBondContact O-N 2.93Å; A140-A143 PolarHBondContact O-N 3.44Å; A140-R144 WeakPolarHBondContact O-CG 3.47Å; A140-R144 PolarHBondContact O-N 2.97Å
141	L	94.7	Very high	94	Very high	3 Å²	3	75 Å²	75	2%	0.016	38%	0.382	C	S	.	.	H	α-helix	trans	-57.2	-52.2	172.1	175.5	72	0	0	0	110.6	E108 A116 Y120 F137 H138 A143 R144 V145	E108-L141 HydrophobicContact CB-CD1 4.22Å; E108-L141 VanDerWaalsContact CD-CD1 3.46Å; E108-L141 HydrophobicContact CG-CD1 3.91Å; E108-L141 VanDerWaalsContact OE2-CD1 3.24Å; E108-L141 WeakPolarHBondContact OE2-CD1 3.33Å; A116-L141 HydrophobicContact CB-CD1 4.47Å; A116-L141 HydrophobicContact CB-CD2 3.89Å; Y120-L141 HydrophobicContact CD2-CD2 3.74Å; Y120-L141 HydrophobicContact CE2-CB 4.21Å; Y120-L141 HydrophobicContact CE2-CD2 3.62Å; Y120-L141 HydrophobicContact CE2-CG 4.48Å; F137-L141 PolarHBondContact O-N 3.34Å; H138-L141 WeakPolarHBondContact O-CB 3.45Å; H138-L141 PolarHBondContact O-N 3.33Å; L141-A143 VanDerWaalsContact C-N 3.28Å; L141-A143 PolarHBondContact O-N 3.04Å; L141-R144 PolarHBondContact O-N 3.3Å; L141-R144 VanDerWaalsContact O-N 3.09Å; L141-V145 HydrophobicContact CD1-CG2 4Å; L141-V145 HydrophobicContact CG-CG2 4.22Å; L141-V145 VanDerWaalsContact O-CG2 3.3Å; L141-V145 WeakPolarHBondContact O-CG2 3.4Å; L141-V145 PolarHBondContact O-N 3Å
142	Q	94.9	Very high	93.7	Very high	98 Å²	98	77.2 Å²	77.2	46%	0.458	39%	0.391	S	S	.	.	H	α-helix	trans	-57.8	-40.5	-179.3	-71	-179.8	-21.5	0	0	112.4	H138 K139 S146	H138-Q142 PolarHBondContact CE1-NE2 3.23Å; H138-Q142 PolarHBondContact NE2-NE2 3.49Å; H138-Q142 WeakPolarHBondContact O-CG 3.46Å; H138-Q142 PolarHBondContact O-N 3.23Å; K139-Q142 PolarHBondContact O-N 2.69Å; Q142-S146 WeakPolarHBondContact O-CB 3.43Å; Q142-S146 PolarHBondContact O-N 3.39Å; Q142-S146 PolarHBondContact O-OG 3.41Å
143	A	95.4	Very high	93.2	Very high	57 Å²	57	77.5 Å²	77.5	47%	0.471	39%	0.391	S	S	.	.	H	α-helix	trans	-66.1	-39.9	175.8	0	0	0	0	0	112.7	K139 A140 L141 S146 R147	K139-A143 WeakPolarHBondContact O-CB 3.44Å; K139-A143 PolarHBondContact O-N 3.31Å; A140-A143 PolarHBondContact O-N 3.44Å; L141-A143 VanDerWaalsContact C-N 3.28Å; L141-A143 PolarHBondContact O-N 3.04Å; A143-S146 PolarHBondContact O-OG 3.35Å; A143-R147 WeakPolarHBondContact O-CB 3.48Å; A143-R147 PolarHBondContact O-N 2.87Å; A143-R147 VanDerWaalsContact O-N 3.13Å
144	R	94.3	Very high	92.4	Very high	88 Å²	88	78.8 Å²	78.8	33%	0.332	40%	0.399	S	S	.	.	H	α-helix	trans	-65.9	-45.3	175.9	-72.1	-171.7	-60.5	-95.8	7.8	111.5	E108 A140 L141 R147 Q148	E108-R144 IonicContact OE1-CZ 3.85Å; E108-R144 IonicContact OE1-NE 2.73Å; E108-R144 PolarHBondContact OE1-NE 3.26Å; E108-R144 IonicContact OE1-NH2 2.71Å; E108-R144 IonicContact OE2-CZ 3.51Å; E108-R144 IonicContact OE2-NE 2.7Å; E108-R144 PolarHBondContact OE2-NE 3.19Å; E108-R144 IonicContact OE2-NH2 3.73Å; E108-R144 PolarHBondContact OE2-NH2 2.91Å; A140-R144 WeakPolarHBondContact O-CG 3.47Å; A140-R144 PolarHBondContact O-N 2.97Å; L141-R144 PolarHBondContact O-N 3.3Å; L141-R144 VanDerWaalsContact O-N 3.09Å; R144-R147 PolarHBondContact O-N 3.35Å; R144-Q148 WeakPolarHBondContact O-CG 3.26Å; R144-Q148 PolarHBondContact O-N 3.05Å
145	V	93.3	Very high	91.1	Very high	42 Å²	42	84.8 Å²	84.8	26%	0.255	43%	0.431	S	S	.	.	H	α-helix	trans	-64.4	-44.6	-179.9	175.2	0	0	0	0	111.3	Y113 L141 Q148 A149	Y113-V145 HydrophobicContact CD1-CG2 3.53Å; Y113-V145 HydrophobicContact CE1-CG2 4.28Å; Y113-V145 HydrophobicContact CG-CG1 4.27Å; Y113-V145 HydrophobicContact CG-CG2 3.78Å; L141-V145 HydrophobicContact CD1-CG2 4Å; L141-V145 HydrophobicContact CG-CG2 4.22Å; L141-V145 VanDerWaalsContact O-CG2 3.3Å; L141-V145 WeakPolarHBondContact O-CG2 3.4Å; L141-V145 PolarHBondContact O-N 3Å; V145-Q148 PolarHBondContact O-N 2.89Å; V145-A149 PolarHBondContact O-N 3.07Å
146	S	93.1	Very high	89.4	Confident	66 Å²	66	89.3 Å²	89.3	46%	0.462	46%	0.455	S	S	.	.	H	α-helix	trans	-63.3	-43.2	178	65.4	0	0	0	0	111.8	Q142 A143 Q148 A149 L150	Q142-S146 WeakPolarHBondContact O-CB 3.43Å; Q142-S146 PolarHBondContact O-N 3.39Å; Q142-S146 PolarHBondContact O-OG 3.41Å; A143-S146 PolarHBondContact O-OG 3.35Å; S146-Q148 PolarHBondContact O-N 2.95Å; S146-A149 PolarHBondContact O-N 3.1Å; S146-L150 WeakPolarHBondContact O-CG 3.47Å; S146-L150 PolarHBondContact O-N 3.4Å
147	R	92.8	Very high	87.6	Confident	164 Å²	164	87.5 Å²	87.5	62%	0.619	46%	0.458	S	S	*	.	H	α-helix	trans	-59.3	-45.6	174.2	-176.1	179.3	-179.2	-88.3	-3.4	111.7	A143 R144 A149 L150 L151	A143-R147 WeakPolarHBondContact O-CB 3.48Å; A143-R147 PolarHBondContact O-N 2.87Å; A143-R147 VanDerWaalsContact O-N 3.13Å; R144-R147 PolarHBondContact O-N 3.35Å; R147-A149 VanDerWaalsContact C-N 3.33Å; R147-A149 PolarHBondContact O-N 3.2Å; R147-L150 PolarHBondContact O-N 2.96Å; R147-L151 HydrophobicContact CG-CD1 4.22Å; R147-L151 WeakPolarHBondContact O-CG 3.45Å; R147-L151 PolarHBondContact O-N 3.49Å
148	Q	90.6	Very high	85.9	Confident	68 Å²	68	88.9 Å²	88.9	32%	0.318	48%	0.475	S	S	.	.	H	α-helix	trans	-64.8	-36.8	178.1	-74.4	-171.8	6.2	0	0	112.7	Y113 R144 V145 S146 K152	Y113-Q148 VanDerWaalsContact CZ-OE1 3.27Å; Y113-Q148 PolarHBondContact OH-OE1 3.33Å; R144-Q148 WeakPolarHBondContact O-CG 3.26Å; R144-Q148 PolarHBondContact O-N 3.05Å; V145-Q148 PolarHBondContact O-N 2.89Å; S146-Q148 PolarHBondContact O-N 2.95Å; Q148-K152 WeakPolarHBondContact O-CG 3.42Å; Q148-K152 PolarHBondContact O-N 2.89Å; Q148-K152 VanDerWaalsContact O-N 3.09Å
149	A	90.3	Very high	83.8	Confident	60 Å²	60	94.5 Å²	94.5	50%	0.496	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-41.4	176.1	0	0	0	0	0	112	V145 S146 R147 K152 L153	V145-A149 PolarHBondContact O-N 3.07Å; S146-A149 PolarHBondContact O-N 3.1Å; R147-A149 VanDerWaalsContact C-N 3.33Å; R147-A149 PolarHBondContact O-N 3.2Å; A149-K152 PolarHBondContact O-N 3.49Å; A149-L153 PolarHBondContact O-N 3.12Å
150	L	90.8	Very high	82	Confident	121 Å²	121	97.6 Å²	97.6	63%	0.634	52%	0.522	S	S	*	.	H	α-helix	trans	-65.5	-44.5	176.3	-69.2	173.4	0	0	0	112.3	S146 R147 K152 L153 E154	S146-L150 WeakPolarHBondContact O-CG 3.47Å; S146-L150 PolarHBondContact O-N 3.4Å; R147-L150 PolarHBondContact O-N 2.96Å; L150-K152 VanDerWaalsContact C-N 3.3Å; L150-K152 PolarHBondContact O-N 3.1Å; L150-L153 PolarHBondContact O-N 2.92Å; L150-L153 VanDerWaalsContact O-N 3.17Å; L150-E154 PolarHBondContact O-N 3.28Å; L150-E154 VanDerWaalsContact O-N 3.16Å
151	L	89.8	Confident	80.4	Confident	66 Å²	66	102.7 Å²	102.7	35%	0.346	54%	0.54	S	S	.	.	H	α-helix	trans	-62.2	-36.7	177.7	-71	173.1	0	0	0	112.6	R147 L153 E154 N155	R147-L151 HydrophobicContact CG-CD1 4.22Å; R147-L151 WeakPolarHBondContact O-CG 3.45Å; R147-L151 PolarHBondContact O-N 3.49Å; L151-L153 VanDerWaalsContact C-N 3.32Å; L151-E154 PolarHBondContact O-N 3.44Å; L151-N155 PolarHBondContact O-N 3.4Å; L151-N155 VanDerWaalsContact O-N 3.15Å
152	K	86.2	Confident	78.7	Confident	137 Å²	137	108.3 Å²	108.3	60%	0.596	58%	0.576	S	S	*	*	H	α-helix	trans	-64.7	-37.2	175.9	-77.1	178.1	179.7	179.7	0	112.2	Q148 A149 L150 D156	Q148-K152 WeakPolarHBondContact O-CG 3.42Å; Q148-K152 PolarHBondContact O-N 2.89Å; Q148-K152 VanDerWaalsContact O-N 3.09Å; A149-K152 PolarHBondContact O-N 3.49Å; L150-K152 VanDerWaalsContact C-N 3.3Å; L150-K152 PolarHBondContact O-N 3.1Å; K152-D156 PolarHBondContact O-N 2.9Å
153	L	83.6	Confident	77.2	Confident	128 Å²	128	112.9 Å²	112.9	67%	0.67	60%	0.595	S	S	*	*	H	α-helix	trans	-68.8	-37	177.9	-174.7	65.9	0	0	0	112.1	A149 L150 L151	A149-L153 PolarHBondContact O-N 3.12Å; L150-L153 PolarHBondContact O-N 2.92Å; L150-L153 VanDerWaalsContact O-N 3.17Å; L151-L153 VanDerWaalsContact C-N 3.32Å
154	E	77.3	Confident	75.6	Confident	125 Å²	125	118.4 Å²	118.4	58%	0.584	61%	0.611	S	S	*	*	H	α-helix	trans	-67.3	-45.1	178	-172	175	-172.9	0	0	111.7	L150 L151 D156 S157	L150-E154 PolarHBondContact O-N 3.28Å; L150-E154 VanDerWaalsContact O-N 3.16Å; L151-E154 PolarHBondContact O-N 3.44Å; E154-D156 VanDerWaalsContact C-N 3.31Å; E154-D156 PolarHBondContact O-N 3.33Å; E154-S157 PolarHBondContact O-N 3.42Å; E154-S157 PolarHBondContact O-OG 2.88Å
155	N	68.7	Low	74.4	Confident	125 Å²	125	120.6 Å²	120.6	67%	0.668	64%	0.636	S	S	*	*	H	α-helix	trans	-67.5	-25.4	179.4	-84.1	13.5	0	0	0	114.2	L151 S157 S158	L151-N155 PolarHBondContact O-N 3.4Å; L151-N155 VanDerWaalsContact O-N 3.15Å; N155-S157 PolarHBondContact O-N 3.44Å; N155-S158 VanDerWaalsContact O-O 3.12Å
156	D	60.6	Low	73.7	Confident	154 Å²	154	127.1 Å²	127.1	82%	0.824	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-13.3	177.1	-138.3	24.7	0	0	0	112.2	K152 E154	K152-D156 PolarHBondContact O-N 2.9Å; E154-D156 VanDerWaalsContact C-N 3.31Å; E154-D156 PolarHBondContact O-N 3.33Å
157	S	59.3	Low	72.7	Confident	98 Å²	98	134.8 Å²	134.8	69%	0.685	68%	0.683	S	S	*	*	S	Bend	trans	-96.7	-12.5	-179.1	75.8	0	0	0	0	114.2	E154 N155	E154-S157 PolarHBondContact O-N 3.42Å; E154-S157 PolarHBondContact O-OG 2.88Å; N155-S157 PolarHBondContact O-N 3.44Å
158	S	58.6	Low	72	Confident	89 Å²	89	131.9 Å²	131.9	62%	0.622	68%	0.683	S	S	*	*	S	Bend	trans	-132.6	117.5	-173.4	-152.1	0	0	0	0	108.8	N155	N155-S158 VanDerWaalsContact O-O 3.12Å
159	D	52.1	Low	71.3	Confident	140 Å²	140	133.7 Å²	133.7	75%	0.749	70%	0.703	S	S	*	*			trans	111.5	97	162.5	-137	12.2	0	0	0	117	E161	D159-E161 PolarHBondContact O-N 3.17Å; D159-E161 VanDerWaalsContact O-N 3.09Å
160	E	58.8	Low	70.7	Confident	184 Å²	184	139.3 Å²	139.3	86%	0.86	72%	0.724	S	S	*	*			trans	-74.3	74.4	159.2	-80.6	-82	157.1	0	0	108.8
161	E	64.5	Low	69.9	Low	144 Å²	144	135 Å²	135	67%	0.673	71%	0.706	S	S	*	*			trans	-73.9	142.4	166.5	-110.4	-156	148.1	0	0	110.2	D159 K163	D159-E161 PolarHBondContact O-N 3.17Å; D159-E161 VanDerWaalsContact O-N 3.09Å; E161-K163 PolarHBondContact O-N 2.85Å
162	P	58.3	Low	68.9	Low	120 Å²	120	136.1 Å²	136.1	78%	0.779	71%	0.712	S	S	*	*			trans	-65.1	104.2	177.4	25.7	-31.9	0	0	0	110.6	Q164	P162-Q164 PolarHBondContact O-N 2.96Å; P162-Q164 VanDerWaalsContact O-N 3.12Å
163	K	63.1	Low	68	Low	195 Å²	195	134.2 Å²	134.2	85%	0.848	71%	0.708	S	S	*	*			trans	-53.5	114.5	-178.3	-63.8	-179.8	-179.2	176.1	0	111.3	E161	E161-K163 PolarHBondContact O-N 2.85Å
164	Q	61.9	Low	67.1	Low	173 Å²	173	132.9 Å²	132.9	81%	0.808	70%	0.697	S	S	*	*			trans	-60.2	153.9	169.1	-70.8	-173.5	-9.8	0	0	110.7	P162 E166	P162-Q164 PolarHBondContact O-N 2.96Å; P162-Q164 VanDerWaalsContact O-N 3.12Å; Q164-E166 PolarHBondContact O-N 2.82Å
165	P	70	Confident	66.4	Low	134 Å²	134	133.8 Å²	133.8	87%	0.87	70%	0.701	S	S	*	*			trans	-61.6	113.9	-179.6	24	-33.2	0	0	0	111.3
166	E	76.6	Confident	65.9	Low	179 Å²	179	139.8 Å²	139.8	84%	0.836	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-70.4	148.1	178.2	-164.6	174.7	-179.9	0	0	111.2	Q164 V168	Q164-E166 PolarHBondContact O-N 2.82Å; E166-V168 PolarHBondContact O-N 3.02Å
167	R	73.6	Confident	65.8	Low	227 Å²	227	135.2 Å²	135.2	86%	0.857	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-70.2	126.2	177.5	-68.6	-165.8	-179	-150.9	4	109.9
168	V	76.5	Confident	65.9	Low	102 Å²	102	140.6 Å²	140.6	62%	0.618	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-87.1	120.5	173.1	-175.7	0	0	0	0	109.1	E166 A171	E166-V168 PolarHBondContact O-N 3.02Å; V168-A171 HydrophobicContact CB-CB 4.04Å; V168-A171 HydrophobicContact CG1-CB 4.17Å; V168-A171 WeakPolarHBondContact O-CB 3.36Å
169	S	76.9	Confident	65.8	Low	106 Å²	106	145.8 Å²	145.8	74%	0.741	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	143.7	176.1	61	0	0	0	0	110.7	A171	S169-A171 PolarHBondContact O-N 3.1Å
170	L	78.6	Confident	65.8	Low	179 Å²	179	149.6 Å²	149.6	94%	0.937	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	55.2	24.7	-178.9	-53.9	176.7	0	0	0	114.7
171	A	72.9	Confident	65	Low	31 Å²	31	144.9 Å²	144.9	26%	0.256	73%	0.728	S	S	.	*	P	Polyproline II helix	trans	-68.4	141.1	176.6	0	0	0	0	0	111.9	V168 S169 I192	V168-A171 HydrophobicContact CB-CB 4.04Å; V168-A171 HydrophobicContact CG1-CB 4.17Å; V168-A171 WeakPolarHBondContact O-CB 3.36Å; S169-A171 PolarHBondContact O-N 3.1Å; A171-I192 HydrophobicContact CB-CG2 3.79Å
172	D	69.4	Low	64.3	Low	88 Å²	88	146.7 Å²	146.7	47%	0.471	74%	0.74	S	S	.	*	P	Polyproline II helix	trans	-62.7	137.9	174.8	-83.2	-24.3	0	0	0	112	R193	D172-R193 HydrophobicContact CB-CG 4.43Å; D172-R193 VanDerWaalsContact O-CB 3.31Å; D172-R193 WeakPolarHBondContact O-CB 3.46Å; D172-R193 WeakPolarHBondContact O-CG 3.48Å; D172-R193 PolarHBondContact O-N 3.05Å; D172-R193 IonicContact OD2-NH1 3.98Å
173	L	65.8	Low	63.5	Low	97 Å²	97	144 Å²	144	51%	0.508	73%	0.729	S	S	.	*	B	Isolated β-bridge	trans	-86.6	138.6	175.6	-65.5	175.9	0	0	0	111	H175 T188 I192	L173-H175 PolarHBondContact O-N 2.85Å; L173-T188 HydrophobicContact CB-CG2 3.71Å; L173-I192 HydrophobicContact CD2-CG1 4.38Å
174	K	65.5	Low	62.6	Low	101 Å²	101	140.6 Å²	140.6	44%	0.439	73%	0.726	S	S	.	*			trans	-73.6	113.3	176.4	-78.8	-175.7	168.8	164.4	0	110.3	R176 T188 A191 R193	K174-R176 PolarHBondContact O-N 3Å; K174-T188 WeakPolarHBondContact O-CG2 3.37Å; K174-A191 HydrophobicContact CB-CB 4.37Å; K174-A191 PolarHBondContact N-O 2.85Å; K174-A191 VanDerWaalsContact N-O 3.09Å; K174-R193 HydrophobicContact CB-CG 4.2Å; K174-R193 HydrophobicContact CD-CG 4.17Å; K174-R193 HydrophobicContact CG-CB 4.18Å; K174-R193 HydrophobicContact CG-CG 3.19Å
175	H	62.1	Low	62.3	Low	144 Å²	144	137.6 Å²	137.6	67%	0.667	72%	0.719	S	S	*	*			trans	-61.5	125.9	167.8	69.3	82	0	0	0	109.8	L173	L173-H175 PolarHBondContact O-N 2.85Å
176	R	58.8	Low	61.6	Low	251 Å²	251	137.3 Å²	137.3	95%	0.947	71%	0.711	S	S	*	*			trans	-107.2	101.2	175.8	-166.6	-177.2	-173.5	-112.6	4.5	109.4	K174	K174-R176 PolarHBondContact O-N 3Å
177	G	59.4	Low	60.5	Low	57 Å²	57	139.7 Å²	139.7	59%	0.588	71%	0.712	S	S	*	*			trans	172.7	131.3	173.1	0	0	0	0	0	112.9
178	K	60.3	Low	59.6	Low	211 Å²	211	131 Å²	131	92%	0.917	68%	0.684	S	S	*	*	S	Bend	trans	-103.3	34.1	176.9	-68.9	-168.1	177.9	-175.5	0	112.8
179	K	55.8	Low	59	Low	198 Å²	198	129 Å²	129	86%	0.861	68%	0.683	S	S	*	*	S	Bend	trans	-148.9	135.6	177.6	-62.6	-170.6	-178.6	-176.5	0	111.6	A181	K179-A181 PolarHBondContact O-N 3.05Å
180	K	52.3	Low	58.2	Low	220 Å²	220	130.1 Å²	130.1	96%	0.957	69%	0.692	S	S	*	*			trans	-60.2	112.7	172.5	-63.7	-168.1	175.9	-172.3	0	108.7
181	A	42.6	Very low	57.2	Low	85 Å²	85	124 Å²	124	70%	0.702	67%	0.666	S	S	*	*			trans	-117.8	128.1	170.5	0	0	0	0	0	108.9	K179 A183	K179-A181 PolarHBondContact O-N 3.05Å; A181-A183 PolarHBondContact O-N 2.6Å
182	I	49.9	Very low	56.4	Low	182 Å²	182	126.5 Å²	126.5	93%	0.933	68%	0.675	S	S	*	*	S	Bend	trans	-76.6	77.7	176.2	-63	155.1	0	0	0	106.9
183	A	41.5	Very low	55.9	Low	65 Å²	65	127.8 Å²	127.8	54%	0.537	67%	0.673	S	S	.	*	S	Bend	trans	159	128.8	160.9	0	0	0	0	0	108.1	A181 V185	A181-A183 PolarHBondContact O-N 2.6Å; A183-V185 PolarHBondContact O-N 3.18Å
184	P	45.1	Very low	55.4	Low	123 Å²	123	127.7 Å²	127.7	80%	0.799	68%	0.681	S	S	*	*			trans	-79.4	90.5	-177.3	31.9	-30.8	0	0	0	109.8
185	V	53.9	Low	55	Low	109 Å²	109	130.8 Å²	130.8	66%	0.661	70%	0.7	S	S	*	*			trans	-102.3	74.9	160.6	-172	0	0	0	0	107.6	A183 R187	A183-V185 PolarHBondContact O-N 3.18Å; V185-R187 PolarHBondContact O-N 2.7Å
186	N	56.1	Low	54.5	Low	129 Å²	129	125.9 Å²	125.9	69%	0.69	69%	0.688	S	S	*	*			trans	-73.4	80.7	169.7	-77.3	-26.9	0	0	0	108.9	T188	N186-T188 PolarHBondContact O-N 2.99Å
187	R	53.8	Low	54.4	Low	228 Å²	228	118.2 Å²	118.2	86%	0.86	69%	0.688	S	S	*	*			trans	-82.9	92.4	162.5	-103.2	-171.3	170.8	100.4	-1.6	108.1	V185	V185-R187 PolarHBondContact O-N 2.7Å
188	T	54.8	Low	54.2	Low	46 Å²	46	117.9 Å²	117.9	28%	0.282	68%	0.684	S	S	.	*			trans	-95.2	115.5	172.2	-34.3	0	0	0	0	108.5	L173 K174 N186	L173-T188 HydrophobicContact CB-CG2 3.71Å; K174-T188 WeakPolarHBondContact O-CG2 3.37Å; N186-T188 PolarHBondContact O-N 2.99Å
189	G	63.5	Low	54.1	Low	58 Å²	58	115.6 Å²	115.6	60%	0.598	68%	0.681	S	S	*	*			trans	-74.2	-158.3	170.3	0	0	0	0	0	111.7	A191	G189-A191 PolarHBondContact O-N 3.24Å
190	S	60.1	Low	54.4	Low	131 Å²	131	111.2 Å²	111.2	92%	0.916	67%	0.673	S	S	*	*	S	Bend	trans	-60.8	15	-175.5	-60.4	0	0	0	0	117.7	I192	S190-I192 PolarHBondContact O-N 2.93Å
191	A	58.5	Low	54.8	Low	49 Å²	49	106.5 Å²	106.5	41%	0.405	67%	0.668	S	S	.	*			trans	-88.6	92.1	-176.6	0	0	0	0	0	112.1	K174 G189	K174-A191 HydrophobicContact CB-CB 4.37Å; K174-A191 PolarHBondContact N-O 2.85Å; K174-A191 VanDerWaalsContact N-O 3.09Å; G189-A191 PolarHBondContact O-N 3.24Å
192	I	56	Low	55.5	Low	84 Å²	84	112.5 Å²	112.5	43%	0.431	67%	0.672	S	S	.	*	B	Isolated β-bridge	trans	-78	142.5	171.9	-60.5	171	0	0	0	109.9	A171 L173 S190 S194	A171-I192 HydrophobicContact CB-CG2 3.79Å; L173-I192 HydrophobicContact CD2-CG1 4.38Å; S190-I192 PolarHBondContact O-N 2.93Å; I192-S194 PolarHBondContact O-N 2.99Å
193	R	58.1	Low	55.9	Low	115 Å²	115	106.8 Å²	106.8	43%	0.434	66%	0.658	S	S	.	*			trans	-71.7	117.8	169.7	-70.7	179.3	100.1	-167	-0.4	109.9	D172 K174 I195	D172-R193 HydrophobicContact CB-CG 4.43Å; D172-R193 VanDerWaalsContact O-CB 3.31Å; D172-R193 WeakPolarHBondContact O-CB 3.46Å; D172-R193 WeakPolarHBondContact O-CG 3.48Å; D172-R193 PolarHBondContact O-N 3.05Å; D172-R193 IonicContact OD2-NH1 3.98Å; K174-R193 HydrophobicContact CB-CG 4.2Å; K174-R193 HydrophobicContact CD-CG 4.17Å; K174-R193 HydrophobicContact CG-CB 4.18Å; K174-R193 HydrophobicContact CG-CG 3.19Å; R193-I195 PolarHBondContact O-N 3.4Å
194	S	55.9	Low	56.8	Low	96 Å²	96	110.6 Å²	110.6	67%	0.671	67%	0.669	S	S	*	*	S	Bend	trans	-68.3	111.1	157.4	176.9	0	0	0	0	107.5	I192	I192-S194 PolarHBondContact O-N 2.99Å
195	I	56.9	Low	57.3	Low	165 Å²	165	109 Å²	109	85%	0.846	66%	0.659	S	S	*	*	S	Bend	trans	42.6	99.1	163.1	-42.9	175.5	0	0	0	114.5	R193	R193-I195 PolarHBondContact O-N 3.4Å
196	G	51	Low	57.6	Low	41 Å²	41	110.4 Å²	110.4	42%	0.423	67%	0.667	S	S	.	*			trans	-152.4	84.2	164	0	0	0	0	0	108.2	G198	G196-G198 PolarHBondContact O-N 3.02Å
197	G	56.2	Low	57.8	Low	90 Å²	90	111.8 Å²	111.8	93%	0.928	67%	0.674	S	S	*	*			trans	-57.4	116.4	173.7	0	0	0	0	0	110.1
198	G	55.9	Low	57.9	Low	50 Å²	50	103.2 Å²	103.2	52%	0.515	66%	0.656	S	S	.	*			trans	-150.4	84.9	172.8	0	0	0	0	0	108	G196 P200	G196-G198 PolarHBondContact O-N 3.02Å; G198-P200 VanDerWaalsContact O-CD 3.31Å; G198-P200 WeakPolarHBondContact O-CD 3.42Å
199	L	58.8	Low	58.2	Low	163 Å²	163	108.4 Å²	108.4	85%	0.853	68%	0.682	S	S	*	*			trans	-57	119.7	162.9	-153.7	82.2	0	0	0	106.2	S201	L199-S201 PolarHBondContact O-N 2.99Å
200	P	60.8	Low	58.1	Low	106 Å²	106	110.7 Å²	110.7	69%	0.688	69%	0.685	S	S	*	*			trans	-60.6	119.5	162.4	25.2	-29	0	0	0	105.2	G198 R202	G198-P200 VanDerWaalsContact O-CD 3.31Å; G198-P200 WeakPolarHBondContact O-CD 3.42Å; P200-R202 PolarHBondContact O-N 3.29Å
201	S	60.8	Low	58.3	Low	121 Å²	121	109.5 Å²	109.5	85%	0.846	68%	0.676	S	S	*	*			trans	-62.2	86.3	170	-177.1	0	0	0	0	107.1	L199 G203	L199-S201 PolarHBondContact O-N 2.99Å; S201-G203 PolarHBondContact O-N 3.28Å
202	R	56.9	Low	58.6	Low	212 Å²	212	113.3 Å²	113.3	80%	0.8	69%	0.689	S	S	*	*			trans	-85.6	105.6	167.5	-174.4	172.5	164.6	173.7	-5	103.2	P200 D204	P200-R202 PolarHBondContact O-N 3.29Å; R202-D204 PolarHBondContact O-N 3.39Å
203	G	59.8	Low	59.2	Low	61 Å²	61	115 Å²	115	63%	0.629	71%	0.709	S	S	*	*			trans	-45.3	140.5	172.6	0	0	0	0	0	109.6	S201	S201-G203 PolarHBondContact O-N 3.28Å
204	D	60.1	Low	60	Low	146 Å²	146	118.8 Å²	118.8	78%	0.781	73%	0.728	S	S	*	*			trans	-40.8	130.3	-171.2	-71.6	-55.4	0	0	0	111.2	R202 V206	R202-D204 PolarHBondContact O-N 3.39Å; D204-V206 PolarHBondContact O-N 3.45Å
205	P	56.2	Low	61.2	Low	89 Å²	89	121.7 Å²	121.7	58%	0.578	74%	0.736	S	S	*	*			trans	-61.9	110.1	165.7	26.6	-27.9	0	0	0	105.6	L207	P205-L207 PolarHBondContact O-N 2.98Å
206	V	59.3	Low	62.4	Low	139 Å²	139	120.4 Å²	120.4	84%	0.842	74%	0.735	S	S	*	*			trans	-63.2	84.1	159.1	-178.3	0	0	0	0	104.6	D204 G208	D204-V206 PolarHBondContact O-N 3.45Å; V206-G208 PolarHBondContact O-N 3.34Å
207	L	60.1	Low	64.1	Low	158 Å²	158	125.9 Å²	125.9	83%	0.827	75%	0.753	S	S	*	*			trans	-64.4	89.4	165.4	-110.3	149.9	0	0	0	104	P205 N209	P205-L207 PolarHBondContact O-N 2.98Å; L207-N209 PolarHBondContact O-N 2.93Å
208	G	56.4	Low	65.4	Low	47 Å²	47	128.6 Å²	128.6	49%	0.485	74%	0.74	S	S	.	*			trans	-47.9	125	-175.7	0	0	0	0	0	108.8	V206 V210	V206-G208 PolarHBondContact O-N 3.34Å; G208-V210 PolarHBondContact O-N 3.24Å
209	N	60.7	Low	66.8	Low	155 Å²	155	129.9 Å²	129.9	83%	0.829	74%	0.735	S	S	*	*			trans	-61.9	77.3	170.5	-172.1	45.9	0	0	0	108.8	L207	L207-N209 PolarHBondContact O-N 2.93Å
210	V	60.6	Low	67.9	Low	107 Å²	107	129.2 Å²	129.2	65%	0.648	73%	0.727	S	S	*	*			trans	-99.6	93.4	167.9	-173.8	0	0	0	0	105.7	G208 N212	G208-V210 PolarHBondContact O-N 3.24Å; V210-N212 WeakPolarHBondContact CG1-ND2 3.44Å; V210-N212 PolarHBondContact O-N 3.14Å
211	S	65.1	Low	68.9	Low	105 Å²	105	131.5 Å²	131.5	73%	0.734	73%	0.734	S	S	*	*			trans	-69.1	76	174	42.9	0	0	0	0	110.3
212	N	65.6	Low	69.6	Low	129 Å²	129	134.3 Å²	134.3	69%	0.69	73%	0.731	S	S	*	*	S	Bend	trans	-103.4	130	157.7	-66.3	-32.2	0	0	0	106.7	V210 K214	V210-N212 WeakPolarHBondContact CG1-ND2 3.44Å; V210-N212 PolarHBondContact O-N 3.14Å; N212-K214 PolarHBondContact O-N 2.72Å
213	S	69.1	Low	70.1	Confident	120 Å²	120	126.1 Å²	126.1	84%	0.839	71%	0.708	S	S	*	*			trans	-34.4	108.2	-172.1	53.6	0	0	0	0	113.7	L215	S213-L215 PolarHBondContact O-N 3.24Å
214	K	74.5	Confident	70.1	Confident	194 Å²	194	132.4 Å²	132.4	84%	0.843	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-77.4	116.7	-179.5	-175	178.1	179	-178	0	109.3	N212 V216	N212-K214 PolarHBondContact O-N 2.72Å; K214-V216 PolarHBondContact O-N 3Å
215	L	80.3	Confident	69.9	Low	158 Å²	158	131.7 Å²	131.7	83%	0.827	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-67	127.7	169.3	-64.4	170.5	0	0	0	108.7	S213	S213-L215 PolarHBondContact O-N 3.24Å
216	V	82.9	Confident	70	Confident	137 Å²	137	130.7 Å²	130.7	83%	0.83	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-83	125.7	173.9	179.8	0	0	0	0	107.6	K214	K214-V216 PolarHBondContact O-N 3Å
217	I	85	Confident	69.9	Low	157 Å²	157	126.7 Å²	126.7	81%	0.805	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-67.9	138.1	176.6	-58.4	172.1	0	0	0	108	D219	I217-D219 PolarHBondContact O-N 3.27Å
218	F	85.1	Confident	69.7	Low	146 Å²	146	125.3 Å²	125.3	64%	0.64	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-58.1	130	178.4	-178.2	-108	0	0	0	110.8	E220 A223	F218-E220 HydrophobicContact CD1-CG 3.69Å; F218-E220 HydrophobicContact CE1-CB 4.32Å; F218-E220 HydrophobicContact CE1-CG 3.75Å; F218-A223 HydrophobicContact CZ-CB 4.18Å
219	D	83.8	Confident	69.7	Low	78 Å²	78	128.3 Å²	128.3	42%	0.417	72%	0.723	S	S	.	*			trans	-98	98	176.9	-176.9	2.9	0	0	0	109.1	I217 N221 K222	I217-D219 PolarHBondContact O-N 3.27Å; D219-N221 PolarHBondContact O-N 3.23Å; D219-N221 VanDerWaalsContact O-N 3.15Å; D219-N221 WeakPolarHBondContact OD1-CB 3.33Å; D219-N221 PolarHBondContact OD1-N 2.65Å; D219-N221 VanDerWaalsContact OD1-N 3.12Å; D219-N221 PolarHBondContact OD1-ND2 3.31Å; D219-K222 PolarHBondContact O-N 3.12Å; D219-K222 VanDerWaalsContact O-N 3.17Å
220	E	82.1	Confident	69.4	Low	148 Å²	148	129.4 Å²	129.4	69%	0.692	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-59.9	-22	-179.9	-63.1	-173.5	153.9	0	0	112.6	F218 K222	F218-E220 HydrophobicContact CD1-CG 3.69Å; F218-E220 HydrophobicContact CE1-CB 4.32Å; F218-E220 HydrophobicContact CE1-CG 3.75Å; E220-K222 VanDerWaalsContact C-N 3.33Å; E220-K222 PolarHBondContact O-N 3.45Å
221	N	81.6	Confident	69.2	Low	154 Å²	154	130.1 Å²	130.1	82%	0.824	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-77.2	-16.7	-180	-61.4	-54	0	0	0	113.7	D219	D219-N221 PolarHBondContact O-N 3.23Å; D219-N221 VanDerWaalsContact O-N 3.15Å; D219-N221 WeakPolarHBondContact OD1-CB 3.33Å; D219-N221 PolarHBondContact OD1-N 2.65Å; D219-N221 VanDerWaalsContact OD1-N 3.12Å; D219-N221 PolarHBondContact OD1-ND2 3.31Å
222	K	77.1	Confident	68.4	Low	180 Å²	180	130 Å²	130	78%	0.783	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-85.6	-16.1	178	-92.9	-169.4	175	-168.7	0	113.7	D219 E220	D219-K222 PolarHBondContact O-N 3.12Å; D219-K222 VanDerWaalsContact O-N 3.17Å; E220-K222 VanDerWaalsContact C-N 3.33Å; E220-K222 PolarHBondContact O-N 3.45Å
223	A	66.7	Low	67.9	Low	40 Å²	40	130.3 Å²	130.3	33%	0.331	73%	0.73	S	S	.	*			trans	-96.1	105.3	178.3	0	0	0	0	0	109.3	F218 T225	F218-A223 HydrophobicContact CZ-CB 4.18Å; A223-T225 PolarHBondContact O-N 2.92Å
224	E	60.1	Low	67.6	Low	193 Å²	193	131.1 Å²	131.1	90%	0.902	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	0.8	179	-65	-169.2	163.6	0	0	114
225	T	56.6	Low	66.9	Low	131 Å²	131	127 Å²	127	80%	0.804	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156	44	-173.5	-24.8	0	0	0	0	113.5	A223 G227	A223-T225 PolarHBondContact O-N 2.92Å; T225-G227 PolarHBondContact O-N 3.24Å; T225-G227 VanDerWaalsContact O-N 3.09Å
226	A	56.6	Low	66.5	Low	69 Å²	69	123.2 Å²	123.2	57%	0.57	69%	0.691	S	S	*	*			trans	-73.7	98.3	162	0	0	0	0	0	108.1
227	G	57.8	Low	65.8	Low	55 Å²	55	125.5 Å²	125.5	57%	0.567	70%	0.695	S	S	*	*			trans	-57.6	154.9	168.3	0	0	0	0	0	110.3	T225 S229	T225-G227 PolarHBondContact O-N 3.24Å; T225-G227 VanDerWaalsContact O-N 3.09Å; G227-S229 PolarHBondContact O-N 3.46Å
228	P	56.8	Low	65.4	Low	129 Å²	129	120.8 Å²	120.8	84%	0.838	68%	0.679	S	S	*	*			trans	-53.9	122.2	175.8	-16.6	27.9	0	0	0	108.1	E230	P228-E230 PolarHBondContact O-N 3.35Å
229	S	56.4	Low	64.9	Low	110 Å²	110	116 Å²	116	77%	0.769	66%	0.663	S	S	*	*			trans	-56	113.7	169.9	53.1	0	0	0	0	107.1	G227	G227-S229 PolarHBondContact O-N 3.46Å
230	E	53.4	Low	64.6	Low	178 Å²	178	113.3 Å²	113.3	83%	0.832	65%	0.65	S	S	*	*			trans	-55	126.1	169.9	-76.6	-171.3	151.2	0	0	106.7	P228 S232	P228-E230 PolarHBondContact O-N 3.35Å; E230-S232 PolarHBondContact O-N 3Å
231	P	56.2	Low	64.3	Low	122 Å²	122	110.6 Å²	110.6	79%	0.792	64%	0.643	S	S	*	*			trans	-58.2	115.7	179.9	23.1	-31.2	0	0	0	107.1	L233	P231-L233 PolarHBondContact O-N 3.2Å
232	S	48.1	Very low	63.9	Low	103 Å²	103	104.9 Å²	104.9	72%	0.72	62%	0.615	S	S	*	*			trans	-54.6	127.6	175.5	61.6	0	0	0	0	107.5	E230 E234	E230-S232 PolarHBondContact O-N 3Å; S232-E234 VanDerWaalsContact C-N 3.3Å; S232-E234 PolarHBondContact O-N 3.44Å
233	L	55.3	Low	63.8	Low	134 Å²	134	100.6 Å²	100.6	70%	0.702	59%	0.594	S	S	*	*			trans	-55.1	96.2	176	-172	84.2	0	0	0	108.4	P231 S235	P231-L233 PolarHBondContact O-N 3.2Å; L233-S235 PolarHBondContact O-N 3.45Å; L233-S235 VanDerWaalsContact O-N 3.16Å
234	E	63.3	Low	64.4	Low	137 Å²	137	100.6 Å²	100.6	64%	0.64	59%	0.594	S	S	*	*			trans	-68.3	116.6	-178	-155.3	164.3	-154	0	0	106.7	S232 W236	S232-E234 VanDerWaalsContact C-N 3.3Å; S232-E234 PolarHBondContact O-N 3.44Å; E234-W236 PolarHBondContact O-N 3.45Å
235	S	60.2	Low	65	Low	108 Å²	108	99.4 Å²	99.4	76%	0.755	59%	0.586	S	S	*	*			trans	-74.6	93.5	-177.3	-178	0	0	0	0	108.9	L233 M237	L233-S235 PolarHBondContact O-N 3.45Å; L233-S235 VanDerWaalsContact O-N 3.16Å; S235-M237 PolarHBondContact O-N 2.87Å
236	W	71.2	Confident	66.1	Low	79 Å²	79	102.3 Å²	102.3	30%	0.299	59%	0.59	S	S	.	*			trans	-71.2	120.3	172.5	-73.6	81.4	0	0	0	109.7	Y86 A89 Q90 E234 P240	Y86-W236 HydrophobicContact CD2-CB 3.67Å; Y86-W236 HydrophobicContact CD2-CD2 4.46Å; Y86-W236 HydrophobicContact CD2-CG 4.12Å; Y86-W236 HydrophobicContact CE2-CB 3.98Å; A89-W236 HydrophobicContact CB-CG 4.49Å; Q90-W236 PolarHBondContact NE2-O 3.41Å; E234-W236 PolarHBondContact O-N 3.45Å; W236-P240 HydrophobicContact CE3-CG 4.4Å; W236-P240 HydrophobicContact CZ3-CG 4.06Å
237	M	68.2	Low	67.1	Low	185 Å²	185	105.9 Å²	105.9	91%	0.911	60%	0.6	S	S	*	*	S	Bend	trans	-83.7	-19.9	177	-65.2	-149.7	-50.7	0	0	113.7	S235	S235-M237 PolarHBondContact O-N 2.87Å
238	A	76.3	Confident	68.1	Low	58 Å²	58	106.6 Å²	106.6	48%	0.479	59%	0.588	S	S	.	*	S	Bend	trans	-146.5	150.4	-178.5	0	0	0	0	0	111.2	Y86	Y86-A238 VanDerWaalsContact CE2-C 3.4Å; Y86-A238 WeakPolarHBondContact CE2-O 3.24Å
239	P	74.3	Confident	69.1	Low	46 Å²	46	108.7 Å²	108.7	30%	0.299	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-57.9	141.4	170.1	-19	28.1	0	0	0	111.2	W70 Y86	W70-P239 HydrophobicContact CH2-CB 4.35Å; W70-P239 HydrophobicContact CH2-CG 4.44Å; Y86-P239 HydrophobicContact CD1-CB 4.38Å; Y86-P239 HydrophobicContact CE1-CB 4Å; Y86-P239 HydrophobicContact CE1-CG 3.92Å; Y86-P239 HydrophobicContact CE2-CB 4.34Å; Y86-P239 HydrophobicContact CE2-CG 4.26Å; Y86-P239 WeakPolarHBondContact OH-CG 3.43Å
240	P	77.9	Confident	70	Confident	21 Å²	21	111 Å²	111	14%	0.136	58%	0.583	C	S	.	*	P	Polyproline II helix	trans	-58.3	143.2	171.6	-19.6	29.2	0	0	0	110.9	D82 I83 W236	D82-P240 HydrophobicContact CB-CB 4.04Å; D82-P240 HydrophobicContact CB-CG 3.89Å; I83-P240 HydrophobicContact CD1-CB 3.82Å; I83-P240 HydrophobicContact CD1-CG 3.97Å; W236-P240 HydrophobicContact CE3-CG 4.4Å; W236-P240 HydrophobicContact CZ3-CG 4.06Å
241	T	76.8	Confident	70.9	Confident	90 Å²	90	108 Å²	108	55%	0.552	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-72	138	179.1	55.2	0	0	0	0	110.3	R243	T241-R243 PolarHBondContact O-N 3.07Å; T241-R243 PolarHBondContact OG1-O 3.26Å
242	S	73.6	Confident	71.9	Confident	34 Å²	34	109.8 Å²	109.8	24%	0.238	58%	0.577	C	S	.	*	S	Bend	trans	-60.3	-16.5	177.6	54.9	0	0	0	0	114.8	S78	S78-S242 PolarHBondContact N-O 3Å
243	R	74.4	Confident	73	Confident	91 Å²	91	114.1 Å²	114.1	34%	0.343	58%	0.583	S	S	.	*	S	Bend	trans	-139	133.5	-176.1	-166.3	-179	-176.6	-165.1	-3.8	112.3	T241 K245 E248	T241-R243 PolarHBondContact O-N 3.07Å; T241-R243 PolarHBondContact OG1-O 3.26Å; R243-K245 PolarHBondContact O-N 3.5Å; R243-E248 VanDerWaalsContact CG-OE1 3.28Å; R243-E248 WeakPolarHBondContact CG-OE1 3.46Å; R243-E248 IonicContact CZ-OE2 3.24Å; R243-E248 IonicContact NE-OE1 3.02Å; R243-E248 IonicContact NE-OE2 3.36Å; R243-E248 PolarHBondContact NE-OE2 3.2Å; R243-E248 VanDerWaalsContact NH2-CB 3.33Å; R243-E248 IonicContact NH2-OE2 3.88Å; R243-E248 PolarHBondContact NH2-OE2 2.97Å
244	A	78.8	Confident	73.4	Confident	39 Å²	39	119.9 Å²	119.9	32%	0.322	60%	0.595	S	S	.	*			trans	-74.5	91	173.2	0	0	0	0	0	110.8	E246 N247 E248	A244-E246 PolarHBondContact O-N 2.86Å; A244-E246 VanDerWaalsContact O-N 3.08Å; A244-N247 HydrophobicContact CB-CB 4.08Å; A244-N247 PolarHBondContact O-N 2.9Å; A244-N247 VanDerWaalsContact O-N 3.07Å; A244-E248 PolarHBondContact O-N 3.21Å
245	K	73.4	Confident	73.1	Confident	168 Å²	168	117.9 Å²	117.9	73%	0.73	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-26.3	-172.8	-66.2	176.2	-174.9	169	0	114.4	R243	R243-K245 PolarHBondContact O-N 3.5Å
246	E	78.4	Confident	72.7	Confident	193 Å²	193	120.1 Å²	120.1	90%	0.902	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-28	179.7	-62.5	-173.2	171.3	0	0	113.2	A244	A244-E246 PolarHBondContact O-N 2.86Å; A244-E246 VanDerWaalsContact O-N 3.08Å
247	N	78.9	Confident	71.9	Confident	143 Å²	143	122.7 Å²	122.7	77%	0.765	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-14.3	-179	-70.3	-18.8	0	0	0	112.9	A244	A244-N247 HydrophobicContact CB-CB 4.08Å; A244-N247 PolarHBondContact O-N 2.9Å; A244-N247 VanDerWaalsContact O-N 3.07Å
248	E	78.8	Confident	71.5	Confident	71 Å²	71	122.9 Å²	122.9	33%	0.332	62%	0.619	S	S	.	*			trans	-124.1	108.7	-174.5	-63.3	-170	-128.6	0	0	112.9	R243 A244 K250	R243-E248 VanDerWaalsContact CG-OE1 3.28Å; R243-E248 WeakPolarHBondContact CG-OE1 3.46Å; R243-E248 IonicContact CZ-OE2 3.24Å; R243-E248 IonicContact NE-OE1 3.02Å; R243-E248 IonicContact NE-OE2 3.36Å; R243-E248 PolarHBondContact NE-OE2 3.2Å; R243-E248 VanDerWaalsContact NH2-CB 3.33Å; R243-E248 IonicContact NH2-OE2 3.88Å; R243-E248 PolarHBondContact NH2-OE2 2.97Å; A244-E248 PolarHBondContact O-N 3.21Å; E248-K250 PolarHBondContact O-N 3.44Å
249	Q	77.4	Confident	70.7	Confident	172 Å²	172	127.9 Å²	127.9	80%	0.804	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-71.2	129	172.4	-161.3	168.6	12.2	0	0	110
250	K	74.6	Confident	69.8	Low	158 Å²	158	131.4 Å²	131.4	69%	0.687	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-70.4	135.9	172.4	-69.5	179.8	-178.6	176.5	0	108.6	E248 E252	E248-K250 PolarHBondContact O-N 3.44Å; K250-E252 PolarHBondContact O-N 3.41Å
251	P	73.6	Confident	68.8	Low	117 Å²	117	139 Å²	139	76%	0.76	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-60.2	125.5	177.3	24.2	-32	0	0	0	109.4
252	E	76.4	Confident	67.6	Low	159 Å²	159	143.8 Å²	143.8	74%	0.743	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-71.8	151.2	170.4	-70.6	-178	169.6	0	0	109.9	K250 W254	K250-E252 PolarHBondContact O-N 3.41Å; E252-W254 PolarHBondContact O-N 3.08Å
253	K	70.9	Confident	66.4	Low	193 Å²	193	147.9 Å²	147.9	84%	0.839	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-61.6	124	176.5	-67.5	-179	-179.6	179.1	0	108.6	C255	K253-C255 PolarHBondContact O-N 3.42Å
254	W	63.1	Low	65	Low	255 Å²	255	152.4 Å²	152.4	97%	0.966	75%	0.75	S	S	*	*	S	Bend	trans	-67.6	11.2	170.6	-107.6	54.9	0	0	0	114.1	E252	E252-W254 PolarHBondContact O-N 3.08Å
255	C	57.6	Low	63.4	Low	96 Å²	96	160.5 Å²	160.5	65%	0.649	78%	0.778	S	S	*	*			trans	-117.5	95.9	-170.9	-58.5	0	0	0	0	108.2	K253	K253-C255 PolarHBondContact O-N 3.42Å
256	D	52.8	Low	62	Low	155 Å²	155	155.3 Å²	155.3	83%	0.829	77%	0.773	S	S	*	*			trans	161.4	16.8	152.9	-80.5	-24.5	0	0	0	112.4	K258	D256-K258 PolarHBondContact O-N 2.91Å
257	V	53.2	Low	60.6	Low	132 Å²	132	156.4 Å²	156.4	80%	0.8	78%	0.777	S	S	*	*			trans	-72.9	81.9	162.5	-173.1	0	0	0	0	108.5	M259	V257-M259 PolarHBondContact O-N 2.98Å
258	K	60.8	Low	58.8	Low	189 Å²	189	153.5 Å²	153.5	82%	0.822	77%	0.773	S	S	*	*			trans	-63.2	103.7	156.6	-77	179.8	179.1	174.5	0	106.3	D256 P260	D256-K258 PolarHBondContact O-N 2.91Å; K258-P260 WeakPolarHBondContact O-CD 3.42Å; K258-P260 VanDerWaalsContact O-N 3.13Å
259	M	58.7	Low	57.2	Low	164 Å²	164	157.4 Å²	157.4	81%	0.808	80%	0.801	S	S	*	*			trans	-51.6	123.3	166.4	-92.3	-162.3	178.3	0	0	107.4	V257 Q261	V257-M259 PolarHBondContact O-N 2.98Å; M259-Q261 PolarHBondContact O-N 3.48Å
260	P	55	Low	55.7	Low	119 Å²	119	156.5 Å²	156.5	77%	0.773	80%	0.799	S	S	*	*			trans	-63.9	103.5	174.4	23	-29.3	0	0	0	107.5	K258 K262	K258-P260 WeakPolarHBondContact O-CD 3.42Å; K258-P260 VanDerWaalsContact O-N 3.13Å; P260-K262 PolarHBondContact O-N 3.31Å
261	Q	58.2	Low	54.8	Low	181 Å²	181	154 Å²	154	85%	0.846	80%	0.799	S	S	*	*			trans	-64.2	106.2	165.3	-78.9	-171.7	-42.9	0	0	106.2	M259 T263	M259-Q261 PolarHBondContact O-N 3.48Å; Q261-T263 VanDerWaalsContact C-N 3.31Å; Q261-T263 PolarHBondContact O-N 3.11Å
262	K	50.3	Low	53.9	Low	190 Å²	190	154.2 Å²	154.2	83%	0.826	80%	0.8	S	S	*	*			trans	-60.3	98.3	168.7	-73.5	-174.2	173.4	-177.9	0	107.5	P260 K264	P260-K262 PolarHBondContact O-N 3.31Å; K262-K264 PolarHBondContact O-N 2.71Å
263	T	48.4	Very low	53.1	Low	120 Å²	120	152 Å²	152	74%	0.736	80%	0.8	S	S	*	*			trans	-66.3	103.5	167.4	41.7	0	0	0	0	107.3	Q261 F265	Q261-T263 VanDerWaalsContact C-N 3.31Å; Q261-T263 PolarHBondContact O-N 3.11Å; T263-F265 PolarHBondContact O-N 2.91Å; T263-F265 VanDerWaalsContact O-N 3.1Å
264	K	46.3	Very low	52.7	Low	187 Å²	187	148.1 Å²	148.1	81%	0.813	79%	0.794	S	S	*	*			trans	-77.3	90.2	169.7	-66.5	-172.3	-179.2	-178.2	0	107.8	K262	K262-K264 PolarHBondContact O-N 2.71Å
265	F	45.4	Very low	52.7	Low	208 Å²	208	142.1 Å²	142.1	91%	0.912	79%	0.788	S	S	*	*			trans	-77	115.4	153.5	-97.5	-86.4	0	0	0	107.7	T263	T263-F265 PolarHBondContact O-N 2.91Å; T263-F265 VanDerWaalsContact O-N 3.1Å
266	G	43	Very low	52.8	Low	60 Å²	60	146.5 Å²	146.5	62%	0.619	80%	0.796	S	S	*	*	S	Bend	trans	150.7	104.6	175.9	0	0	0	0	0	110.7	A268	G266-A268 PolarHBondContact O-N 3.34Å
267	H	48.6	Very low	53.1	Low	216 Å²	216	145.3 Å²	145.3	100%	1	80%	0.797	S	S	*	*			trans	-55.3	107.4	168.6	-83.7	-67.2	0	0	0	109.7
268	A	40.8	Very low	53.5	Low	81 Å²	81	144.9 Å²	144.9	67%	0.669	80%	0.795	S	S	*	*			trans	-120.8	119	161.2	0	0	0	0	0	106.6	G266 M270	G266-A268 PolarHBondContact O-N 3.34Å; A268-M270 PolarHBondContact O-N 3.36Å
269	V	45	Very low	53.6	Low	153 Å²	153	144.5 Å²	144.5	93%	0.927	79%	0.793	S	S	*	*			trans	-58.4	110.3	172.8	174.8	0	0	0	0	107.5
270	M	47.3	Very low	54	Low	154 Å²	154	144.4 Å²	144.4	76%	0.759	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-89.7	137.8	172.7	-75	-173.1	61.6	0	0	109.5	A268	A268-M270 PolarHBondContact O-N 3.36Å
271	P	54.6	Low	54.3	Low	106 Å²	106	143.2 Å²	143.2	69%	0.688	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-61.5	155.6	165.7	27	-32.2	0	0	0	110.5
272	P	56.3	Low	54.2	Low	120 Å²	120	144.6 Å²	144.6	78%	0.779	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-59.1	139	-173.9	23.3	-32.9	0	0	0	111.5
273	P	58.3	Low	55	Low	113 Å²	113	141.5 Å²	141.5	73%	0.734	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-66.8	145.1	178.8	27.6	-33.3	0	0	0	110.8
274	P	63.7	Low	55.3	Low	112 Å²	112	144.3 Å²	144.3	73%	0.727	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-61	148.3	171.6	26.5	-33	0	0	0	110.2	K276	P274-K276 PolarHBondContact O-N 3Å
275	P	62.5	Low	56	Low	128 Å²	128	144.6 Å²	144.6	83%	0.831	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-59.6	130.5	-178.7	23.8	-31.8	0	0	0	110.2
276	K	59.8	Low	56.5	Low	189 Å²	189	139.2 Å²	139.2	82%	0.822	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-61.3	139.2	179.2	-64.9	177.7	-179.3	177.2	0	109.4	P274 T278	P274-K276 PolarHBondContact O-N 3Å; K276-T278 PolarHBondContact O-N 3.16Å; K276-T278 VanDerWaalsContact O-N 3.16Å
277	P	58.1	Low	56.7	Low	129 Å²	129	143.7 Å²	143.7	84%	0.838	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-62.9	119.7	171.6	25.3	-31.2	0	0	0	109.3	F279	P277-F279 PolarHBondContact O-N 3.12Å; P277-F279 VanDerWaalsContact O-N 3.12Å
278	T	61.6	Low	57	Low	124 Å²	124	142.7 Å²	142.7	76%	0.761	79%	0.786	S	S	*	*			trans	-70.3	101.4	174.6	-56.6	0	0	0	0	108.5	K276 Q280	K276-T278 PolarHBondContact O-N 3.16Å; K276-T278 VanDerWaalsContact O-N 3.16Å; T278-Q280 HydrophobicContact CG2-CG 4.02Å; T278-Q280 PolarHBondContact O-N 3.48Å
279	F	63.7	Low	57.7	Low	181 Å²	181	143.9 Å²	143.9	79%	0.794	79%	0.787	S	S	*	*			trans	-84	107.2	167.7	-168.3	-96.3	0	0	0	107.7	P277 P281	P277-F279 PolarHBondContact O-N 3.12Å; P277-F279 VanDerWaalsContact O-N 3.12Å; F279-P281 HydrophobicContact CD1-CG 4.22Å; F279-P281 HydrophobicContact CE1-CB 4.42Å; F279-P281 HydrophobicContact CE1-CG 4.28Å; F279-P281 WeakPolarHBondContact O-CD 3.46Å
280	Q	66.4	Low	57.8	Low	161 Å²	161	142.7 Å²	142.7	75%	0.752	78%	0.782	S	S	*	*			trans	-93.3	110.1	166.7	-71.8	-174.6	-13.8	0	0	107.6	T278 F282	T278-Q280 HydrophobicContact CG2-CG 4.02Å; T278-Q280 PolarHBondContact O-N 3.48Å; Q280-F282 PolarHBondContact O-N 3.34Å
281	P	62.8	Low	57.9	Low	95 Å²	95	142.1 Å²	142.1	62%	0.617	79%	0.788	S	S	*	*			trans	-62.7	128	168.3	-9.6	24.5	0	0	0	107.8	F279 V283	F279-P281 HydrophobicContact CD1-CG 4.22Å; F279-P281 HydrophobicContact CE1-CB 4.42Å; F279-P281 HydrophobicContact CE1-CG 4.28Å; F279-P281 WeakPolarHBondContact O-CD 3.46Å; P281-V283 PolarHBondContact O-N 3.2Å
282	F	54.9	Low	57.3	Low	210 Å²	210	149 Å²	149	92%	0.921	81%	0.814	S	S	*	*			trans	-61.9	118.7	172	-120.2	-98.2	0	0	0	108.3	Q280	Q280-F282 PolarHBondContact O-N 3.34Å
283	V	68	Low	57.4	Low	125 Å²	125	150.5 Å²	150.5	76%	0.758	82%	0.816	S	S	*	*			trans	-90	115.4	167.4	178	0	0	0	0	105.7	P281 E285	P281-V283 PolarHBondContact O-N 3.2Å; V283-E285 PolarHBondContact O-N 3.12Å; V283-E285 VanDerWaalsContact O-N 3.12Å
284	E	54.1	Low	57.3	Low	179 Å²	179	152.5 Å²	152.5	84%	0.836	82%	0.82	S	S	*	*			trans	-64.9	109.9	168.8	-81.3	176.4	152.4	0	0	108.1	S286	E284-S286 PolarHBondContact O-N 3.15Å; E284-S286 VanDerWaalsContact O-N 3.15Å
285	E	61.8	Low	57	Low	192 Å²	192	154.7 Å²	154.7	90%	0.897	83%	0.825	S	S	*	*			trans	-71.7	101.3	171.6	-171.6	169.1	-166.7	0	0	108.2	V283	V283-E285 PolarHBondContact O-N 3.12Å; V283-E285 VanDerWaalsContact O-N 3.12Å
286	S	54.6	Low	56.6	Low	96 Å²	96	156.3 Å²	156.3	67%	0.671	83%	0.825	S	S	*	*			trans	-141.4	100.9	164.3	-71.1	0	0	0	0	107.8	E284	E284-S286 PolarHBondContact O-N 3.15Å; E284-S286 VanDerWaalsContact O-N 3.15Å
287	D	48.3	Very low	56.4	Low	153 Å²	153	154.3 Å²	154.3	82%	0.818	83%	0.825	S	S	*	*				165.2	103.3	115.9	-80.4	-28.5	0	0	0	109.6	P289	D287-P289 WeakPolarHBondContact O-CD 3.41Å
288	Q	54.9	Low	56.3	Low	196 Å²	196	155.9 Å²	155.9	92%	0.916	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-74.7	117.7	168.8	-151.5	162.5	6.6	0	0	107.4
289	P	54.8	Low	55.9	Low	106 Å²	106	158.2 Å²	158.2	69%	0.688	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-70.6	151.4	178.5	28.2	-32.8	0	0	0	110.7	D287 T291	D287-P289 WeakPolarHBondContact O-CD 3.41Å; P289-T291 PolarHBondContact O-N 3.42Å
290	P	47.8	Very low	55.3	Low	127 Å²	127	156.5 Å²	156.5	83%	0.825	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-67.4	131.9	-173.1	28.5	-33.6	0	0	0	110.6
291	T	48.3	Very low	54.4	Low	142 Å²	142	156.1 Å²	156.1	87%	0.871	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-66.1	133.1	169.4	-39.7	0	0	0	0	109.3	P289	P289-T291 PolarHBondContact O-N 3.42Å
292	M	42.7	Very low	53.7	Low	252 Å²	252	161.6 Å²	161.6	100%	1.241	86%	0.858	S	S	*	*			trans	-59.8	0	171.8	-73.6	-175.7	59.5	0	0	113.2

Retrieved 292 of 292 residues in 397 ms (Link to these results)

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