A0A5K4FCU3_SCHMA Loading...

Claudin-like protein

AlphaFold DB , UniProt , Accession A0A5K4FCU3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 267 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	32.4	Very low	35.1	Very low	237 Å²	237	151.4 Å²	151.4	100%	1.167	80%	0.8	S	S	*	*				0	146.9	0	-87.2	171.9	176.3	0	0	107.7
2	T	39.6	Very low	35.4	Very low	139 Å²	139	153.8 Å²	153.8	85%	0.853	80%	0.804	S	S	*	*			trans	74.2	90.9	-167.8	62.7	0	0	0	0	114.1
3	F	33.9	Very low	35.8	Very low	200 Å²	200	155.2 Å²	155.2	88%	0.877	80%	0.804	S	S	*	*				71.4	123.3	59.4	-108.3	-79	0	0	0	115.5
4	K	33.6	Very low	36.4	Very low	178 Å²	178	154.6 Å²	154.6	77%	0.774	80%	0.803	S	S	*	*			trans	82.9	123.4	165.8	-68.4	-179.5	174.7	176.5	0	115.7
5	D	41.9	Very low	37	Very low	137 Å²	137	155.6 Å²	155.6	73%	0.733	79%	0.793	S	S	*	*			cis	-136.6	114.8	32.7	-73.1	-51.3	0	0	0	113.2
6	Q	32.5	Very low	37.7	Very low	178 Å²	178	151.2 Å²	151.2	83%	0.832	77%	0.772	S	S	*	*			trans	-83	110.7	150.6	-75	-171.2	-57.8	0	0	106.7
7	L	36.1	Very low	38.3	Very low	121 Å²	121	148.6 Å²	148.6	63%	0.634	75%	0.754	S	S	*	*			trans	-129.5	78.9	158.9	-100.1	132.4	0	0	0	106.8	F9	L7-F9 HydrophobicContact CB-CD2 4.43Å; L7-F9 HydrophobicContact CD2-CD2 3.41Å; L7-F9 VanDerWaalsContact CD2-CD2 3.41Å; L7-F9 HydrophobicContact CD2-CE2 3.14Å; L7-F9 HydrophobicContact CD2-CZ 4.12Å; L7-F9 PolarHBondContact O-N 3.39Å
8	D	31.5	Very low	39.1	Very low	151 Å²	151	145.5 Å²	145.5	81%	0.807	74%	0.735	S	S	*	*			trans	-54.9	83.8	151.8	-80.5	-40.2	0	0	0	108
9	F	35.6	Very low	40.2	Very low	170 Å²	170	139.8 Å²	139.8	75%	0.746	71%	0.712	S	S	*	*			trans	-90.4	85.1	154.2	-91.1	-71.3	0	0	0	106.7	L7 G11	L7-F9 HydrophobicContact CB-CD2 4.43Å; L7-F9 HydrophobicContact CD2-CD2 3.41Å; L7-F9 VanDerWaalsContact CD2-CD2 3.41Å; L7-F9 HydrophobicContact CD2-CE2 3.14Å; L7-F9 HydrophobicContact CD2-CZ 4.12Å; L7-F9 PolarHBondContact O-N 3.39Å; F9-G11 PolarHBondContact O-N 2.94Å
10	A	35.5	Very low	41.5	Very low	102 Å²	102	135 Å²	135	84%	0.843	69%	0.688	S	S	*	*			trans	-62.2	80.8	144.6	0	0	0	0	0	106.2
11	G	33.5	Very low	42.9	Very low	52 Å²	52	134 Å²	134	54%	0.536	68%	0.684	S	S	.	*			trans	-61	139	176.2	0	0	0	0	0	108.9	F9 E13	F9-G11 PolarHBondContact O-N 2.94Å; G11-E13 PolarHBondContact O-N 3.2Å
12	E	38.9	Very low	44.9	Very low	181 Å²	181	127.7 Å²	127.7	85%	0.846	65%	0.648	S	S	*	*			trans	-33	123	167.7	-77.4	162.1	126.5	0	0	110.2	D14	E12-D14 PolarHBondContact O-N 3.07Å
13	E	41.1	Very low	46.9	Very low	171 Å²	171	121 Å²	121	80%	0.799	61%	0.608	S	S	*	*			trans	-61.8	88.6	160.9	-71.2	-175.2	170.5	0	0	106.3	G11 Y15	G11-E13 PolarHBondContact O-N 3.2Å; E13-Y15 PolarHBondContact O-N 3.49Å
14	D	43.6	Very low	49.2	Very low	148 Å²	148	112.8 Å²	112.8	79%	0.791	57%	0.571	S	S	*	*			trans	-53.8	103.6	169.6	-107.8	-22	0	0	0	106.2	E12 D16	E12-D14 PolarHBondContact O-N 3.07Å; D14-D16 VanDerWaalsContact C-N 3.25Å; D14-D16 PolarHBondContact O-N 2.74Å
15	Y	44.8	Very low	51.8	Low	169 Å²	169	107.4 Å²	107.4	66%	0.663	56%	0.555	S	S	*	*			trans	-62	91.8	174	-95.1	-98.7	0	0	0	107.8	E13 F17	E13-Y15 PolarHBondContact O-N 3.49Å; Y15-F17 VanDerWaalsContact C-N 3.28Å; Y15-F17 WeakPolarHBondContact O-CD2 3.43Å; Y15-F17 PolarHBondContact O-N 3.16Å
16	D	49.1	Very low	54	Low	85 Å²	85	104.7 Å²	104.7	46%	0.455	54%	0.535	S	S	.	.			trans	-77.4	84.1	178.1	-167.4	9.5	0	0	0	109.6	D14 K18 A19 Y22	D14-D16 VanDerWaalsContact C-N 3.25Å; D14-D16 PolarHBondContact O-N 2.74Å; D16-K18 PolarHBondContact O-N 2.86Å; D16-K18 WeakPolarHBondContact OD1-CB 3.49Å; D16-K18 WeakPolarHBondContact OD1-CD 3.5Å; D16-K18 WeakPolarHBondContact OD1-CG 3.25Å; D16-K18 PolarHBondContact OD1-N 3.32Å; D16-K18 VanDerWaalsContact OD1-N 3.15Å; D16-A19 PolarHBondContact O-N 2.97Å; D16-Y22 WeakPolarHBondContact O-CD2 3.44Å; D16-Y22 WeakPolarHBondContact O-CE2 3.3Å
17	F	48.3	Very low	56.8	Low	107 Å²	107	96.2 Å²	96.2	47%	0.469	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-9.4	171.3	-79.9	-85.5	0	0	0	113.3	Y15	Y15-F17 VanDerWaalsContact C-N 3.28Å; Y15-F17 WeakPolarHBondContact O-CD2 3.43Å; Y15-F17 PolarHBondContact O-N 3.16Å
18	K	51.6	Low	59.5	Low	93 Å²	93	93.1 Å²	93.1	40%	0.404	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-14.9	-176.2	-48.5	173.8	-176.6	-178.6	0	113.6	D16 L20 D231	D16-K18 PolarHBondContact O-N 2.86Å; D16-K18 WeakPolarHBondContact OD1-CB 3.49Å; D16-K18 WeakPolarHBondContact OD1-CD 3.5Å; D16-K18 WeakPolarHBondContact OD1-CG 3.25Å; D16-K18 PolarHBondContact OD1-N 3.32Å; D16-K18 VanDerWaalsContact OD1-N 3.15Å; K18-L20 PolarHBondContact O-N 3.5Å; K18-D231 HydrophobicContact CD-CB 4.46Å; K18-D231 WeakPolarHBondContact CE-OD2 3.4Å; K18-D231 IonicContact NZ-OD2 2.71Å; K18-D231 PolarHBondContact NZ-OD2 3.02Å
19	A	59.7	Low	62.4	Low	37 Å²	37	88.7 Å²	88.7	31%	0.306	46%	0.458	S	S	.	.	S	Bend	trans	-61.6	132.7	-179.6	0	0	0	0	0	110.8	D16 N21 Y22 T23	D16-A19 PolarHBondContact O-N 2.97Å; A19-N21 PolarHBondContact O-N 3.49Å; A19-Y22 HydrophobicContact CB-CD2 3.82Å; A19-Y22 HydrophobicContact CB-CE2 4.22Å; A19-Y22 WeakPolarHBondContact O-CB 3.23Å; A19-Y22 PolarHBondContact O-N 2.81Å; A19-T23 PolarHBondContact O-N 3.08Å
20	L	66	Low	65.3	Low	44 Å²	44	80.6 Å²	80.6	23%	0.23	42%	0.422	C	S	.	.	H	α-helix	trans	-44.9	-32.7	-177	-173.8	68.8	0	0	0	114.2	K18 R24 W131 D137	K18-L20 PolarHBondContact O-N 3.5Å; L20-R24 WeakPolarHBondContact O-CG 3.46Å; L20-R24 PolarHBondContact O-N 3.07Å; L20-W131 HydrophobicContact CD1-CZ2 3.89Å; L20-D137 HydrophobicContact CD1-CB 3.93Å
21	N	71.7	Confident	68.2	Low	114 Å²	114	77.4 Å²	77.4	61%	0.61	39%	0.389	S	S	*	.	H	α-helix	trans	-66.3	-35.6	177.3	-68	-22.2	0	0	0	113.5	A19 S25	A19-N21 PolarHBondContact O-N 3.49Å; N21-S25 WeakPolarHBondContact O-CB 3.38Å; N21-S25 PolarHBondContact O-N 3.18Å; N21-S25 PolarHBondContact O-OG 3.17Å
22	Y	75	Confident	71.2	Confident	104 Å²	104	79.5 Å²	79.5	41%	0.408	39%	0.387	S	S	.	.	H	α-helix	trans	-69.9	-46.2	175.3	-71.5	-71.5	0	0	0	110.7	D16 A19 R24 S25 W26	D16-Y22 WeakPolarHBondContact O-CD2 3.44Å; D16-Y22 WeakPolarHBondContact O-CE2 3.3Å; A19-Y22 HydrophobicContact CB-CD2 3.82Å; A19-Y22 HydrophobicContact CB-CE2 4.22Å; A19-Y22 WeakPolarHBondContact O-CB 3.23Å; A19-Y22 PolarHBondContact O-N 2.81Å; Y22-R24 VanDerWaalsContact C-N 3.28Å; Y22-R24 PolarHBondContact O-N 3.25Å; Y22-S25 WeakPolarHBondContact O-CB 3.31Å; Y22-S25 PolarHBondContact O-N 2.87Å; Y22-S25 VanDerWaalsContact O-N 3.1Å; Y22-W26 PolarHBondContact O-N 3.21Å
23	T	80.5	Confident	74	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-58.6	-41.3	176.9	-59.7	0	0	0	0	111.6	A19 W26 I27 W131 T224 W228 T229	A19-T23 PolarHBondContact O-N 3.08Å; T23-W26 PolarHBondContact O-N 3.07Å; T23-I27 WeakPolarHBondContact O-CG1 3.37Å; T23-I27 PolarHBondContact O-N 3.45Å; T23-W131 HydrophobicContact CG2-CH2 3.89Å; T23-W131 HydrophobicContact CG2-CZ2 4.38Å; T23-T224 HydrophobicContact CG2-CG2 4.49Å; T23-W228 PolarHBondContact OG1-O 3.04Å; T23-T229 HydrophobicContact CG2-CG2 3.42Å; T23-T229 VanDerWaalsContact CG2-CG2 3.42Å
24	R	83.1	Confident	76.7	Confident	26 Å²	26	64.5 Å²	64.5	10%	0.098	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-47.8	173.3	-76.6	176	178.1	174.3	3.8	112.3	L20 Y22 W26 I27 I28 W131 N135	L20-R24 WeakPolarHBondContact O-CG 3.46Å; L20-R24 PolarHBondContact O-N 3.07Å; Y22-R24 VanDerWaalsContact C-N 3.28Å; Y22-R24 PolarHBondContact O-N 3.25Å; R24-W26 VanDerWaalsContact C-N 3.31Å; R24-W26 PolarHBondContact O-N 2.83Å; R24-I27 PolarHBondContact O-N 3.28Å; R24-I28 VanDerWaalsContact O-CG1 3.32Å; R24-I28 WeakPolarHBondContact O-CG1 3.48Å; R24-I28 PolarHBondContact O-N 3.39Å; R24-W131 HydrophobicContact CB-CH2 4.09Å; R24-W131 HydrophobicContact CB-CZ3 4.21Å; R24-W131 HydrophobicContact CG-CD2 4.47Å; R24-W131 HydrophobicContact CG-CE3 4.14Å; R24-W131 HydrophobicContact CG-CH2 3.29Å; R24-W131 HydrophobicContact CG-CZ2 3.67Å; R24-W131 HydrophobicContact CG-CZ3 3.55Å; R24-N135 VanDerWaalsContact CZ-OD1 3.27Å; R24-N135 PolarHBondContact NH1-OD1 3.02Å; R24-N135 PolarHBondContact NH2-OD1 3.06Å
25	S	87.1	Confident	79.3	Confident	65 Å²	65	59.2 Å²	59.2	46%	0.455	30%	0.295	S	S	.	.	H	α-helix	trans	-58.1	-44.1	178.1	-59.7	0	0	0	0	111.4	N21 Y22 I27 I28 T29	N21-S25 WeakPolarHBondContact O-CB 3.38Å; N21-S25 PolarHBondContact O-N 3.18Å; N21-S25 PolarHBondContact O-OG 3.17Å; Y22-S25 WeakPolarHBondContact O-CB 3.31Å; Y22-S25 PolarHBondContact O-N 2.87Å; Y22-S25 VanDerWaalsContact O-N 3.1Å; S25-I27 PolarHBondContact O-N 3.05Å; S25-I28 PolarHBondContact O-N 3.12Å; S25-T29 WeakPolarHBondContact O-CB 3.29Å; S25-T29 PolarHBondContact O-N 2.98Å; S25-T29 PolarHBondContact O-OG1 3.43Å
26	W	89.7	Confident	81.9	Confident	80 Å²	80	54.1 Å²	54.1	30%	0.303	28%	0.281	S	S	.	.	H	α-helix	trans	-61.3	-44.6	175.9	-78.3	117.1	0	0	0	112.7	Y22 T23 R24 I28 T29 G30 I220 T224 W228	Y22-W26 PolarHBondContact O-N 3.21Å; T23-W26 PolarHBondContact O-N 3.07Å; R24-W26 VanDerWaalsContact C-N 3.31Å; R24-W26 PolarHBondContact O-N 2.83Å; W26-I28 VanDerWaalsContact C-N 3.35Å; W26-I28 PolarHBondContact O-N 3.04Å; W26-T29 PolarHBondContact O-N 3.32Å; W26-G30 PolarHBondContact O-N 3.33Å; W26-I220 HydrophobicContact CB-CG2 4.25Å; W26-I220 HydrophobicContact CE3-CD1 4.45Å; W26-I220 HydrophobicContact CE3-CG1 4.31Å; W26-I220 HydrophobicContact CE3-CG2 4.44Å; W26-I220 WeakPolarHBondContact O-CG2 3.44Å; W26-T224 HydrophobicContact CB-CG2 4.14Å; W26-W228 HydrophobicContact CB-CE3 4.13Å; W26-W228 HydrophobicContact CB-CZ3 3.81Å; W26-W228 AromaticContact CD1-CE3 3.79Å; W26-W228 AromaticContact CD1-CZ3 3.84Å; W26-W228 HydrophobicContact CD2-CE3 4.35Å; W26-W228 AromaticContact CD2-CH2 3.83Å; W26-W228 HydrophobicContact CD2-CH2 3.83Å; W26-W228 AromaticContact CD2-CZ3 3.62Å; W26-W228 HydrophobicContact CD2-CZ3 3.62Å; W26-W228 HydrophobicContact CE3-CH2 4.05Å; W26-W228 HydrophobicContact CE3-CZ3 4.07Å; W26-W228 AromaticContact CG-CE3 3.83Å; W26-W228 HydrophobicContact CG-CE3 3.83Å; W26-W228 HydrophobicContact CG-CH2 4.18Å; W26-W228 AromaticContact CG-CZ3 3.48Å; W26-W228 HydrophobicContact CG-CZ3 3.48Å; W26-W228 VanDerWaalsContact CG-CZ3 3.48Å; W26-W228 HydrophobicContact CZ2-CH2 4.43Å; W26-W228 HydrophobicContact CZ3-CH2 4.44Å
27	I	89.9	Confident	84.2	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-39.9	178.2	-68.2	-66.8	0	0	0	112	T23 R24 S25 G30 F31 I128 W131 R145 F221 T224	T23-I27 WeakPolarHBondContact O-CG1 3.37Å; T23-I27 PolarHBondContact O-N 3.45Å; R24-I27 PolarHBondContact O-N 3.28Å; S25-I27 PolarHBondContact O-N 3.05Å; I27-G30 PolarHBondContact O-N 3.27Å; I27-F31 WeakPolarHBondContact O-CB 3.39Å; I27-F31 PolarHBondContact O-N 3.36Å; I27-I128 HydrophobicContact CG2-CD1 4.35Å; I27-I128 HydrophobicContact CG2-CG1 4.02Å; I27-W131 HydrophobicContact CB-CZ3 4.05Å; I27-W131 HydrophobicContact CG1-CH2 4.43Å; I27-W131 HydrophobicContact CG1-CZ3 3.99Å; I27-W131 HydrophobicContact CG2-CZ3 4.26Å; I27-R145 HydrophobicContact CD1-CG 3.95Å; I27-F221 HydrophobicContact CD1-CD1 3.65Å; I27-F221 HydrophobicContact CD1-CE1 3.73Å; I27-F221 HydrophobicContact CG2-CE1 4.15Å; I27-T224 HydrophobicContact CD1-CG2 3.72Å; I27-T224 HydrophobicContact CG1-CG2 4.03Å
28	I	92.4	Very high	86.6	Confident	56 Å²	56	46.2 Å²	46.2	29%	0.287	24%	0.244	S	C	.	.	H	α-helix	trans	-64.9	-44.5	175.2	-65.5	163.9	0	0	0	110.4	R24 S25 W26 G30 F31 I32 Y132	R24-I28 VanDerWaalsContact O-CG1 3.32Å; R24-I28 WeakPolarHBondContact O-CG1 3.48Å; R24-I28 PolarHBondContact O-N 3.39Å; S25-I28 PolarHBondContact O-N 3.12Å; W26-I28 VanDerWaalsContact C-N 3.35Å; W26-I28 PolarHBondContact O-N 3.04Å; I28-G30 PolarHBondContact O-N 2.96Å; I28-F31 WeakPolarHBondContact O-CB 3.33Å; I28-F31 PolarHBondContact O-N 2.67Å; I28-I32 HydrophobicContact CG2-CD1 3.93Å; I28-I32 WeakPolarHBondContact O-CG1 3.45Å; I28-I32 PolarHBondContact O-N 3.28Å; I28-Y132 WeakPolarHBondContact CD1-OH 3.34Å
29	T	93.9	Very high	88.8	Confident	58 Å²	58	44.7 Å²	44.7	36%	0.356	25%	0.248	S	C	.	.	H	α-helix	trans	-59	-47.8	174.9	-63.4	0	0	0	0	111.3	S25 W26 F31 I32 I33 I220	S25-T29 WeakPolarHBondContact O-CB 3.29Å; S25-T29 PolarHBondContact O-N 2.98Å; S25-T29 PolarHBondContact O-OG1 3.43Å; W26-T29 PolarHBondContact O-N 3.32Å; T29-F31 VanDerWaalsContact C-N 3.3Å; T29-F31 PolarHBondContact O-N 2.95Å; T29-I32 PolarHBondContact O-N 3.5Å; T29-I33 HydrophobicContact CG2-CD1 3.71Å; T29-I33 HydrophobicContact CG2-CG1 4.37Å; T29-I33 VanDerWaalsContact O-CG1 3.27Å; T29-I33 WeakPolarHBondContact O-CG1 3.14Å; T29-I33 PolarHBondContact O-N 3Å; T29-I220 HydrophobicContact CG2-CD1 4.35Å
30	G	95.3	Very high	90.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-39	176.5	0	0	0	0	0	112.7	W26 I27 I28 L34	W26-G30 PolarHBondContact O-N 3.33Å; I27-G30 PolarHBondContact O-N 3.27Å; I28-G30 PolarHBondContact O-N 2.96Å; G30-L34 WeakPolarHBondContact O-CB 3.45Å; G30-L34 PolarHBondContact O-N 3.4Å
31	F	96.4	Very high	92.1	Very high	34 Å²	34	42.3 Å²	42.3	15%	0.149	23%	0.23	C	C	.	.	H	α-helix	trans	-64.4	-43.8	175	177.6	-99.2	0	0	0	112.7	I27 I28 T29 L34 A35 F121 A124 L125 I128	I27-F31 WeakPolarHBondContact O-CB 3.39Å; I27-F31 PolarHBondContact O-N 3.36Å; I28-F31 WeakPolarHBondContact O-CB 3.33Å; I28-F31 PolarHBondContact O-N 2.67Å; T29-F31 VanDerWaalsContact C-N 3.3Å; T29-F31 PolarHBondContact O-N 2.95Å; F31-L34 PolarHBondContact O-N 2.84Å; F31-A35 PolarHBondContact O-N 3.38Å; F31-F121 HydrophobicContact CD1-CE2 4.35Å; F31-F121 HydrophobicContact CD2-CD2 4.03Å; F31-F121 AromaticContact CD2-CE2 3.89Å; F31-F121 HydrophobicContact CD2-CE2 3.89Å; F31-F121 AromaticContact CE1-CE2 3.79Å; F31-F121 HydrophobicContact CE1-CE2 3.79Å; F31-F121 AromaticContact CE1-CZ 3.92Å; F31-F121 HydrophobicContact CE1-CZ 3.92Å; F31-F121 HydrophobicContact CE2-CD1 4.4Å; F31-F121 AromaticContact CE2-CD2 3.56Å; F31-F121 HydrophobicContact CE2-CD2 3.56Å; F31-F121 HydrophobicContact CE2-CE1 4.18Å; F31-F121 AromaticContact CE2-CE2 3.26Å; F31-F121 HydrophobicContact CE2-CE2 3.26Å; F31-F121 HydrophobicContact CE2-CG 4.13Å; F31-F121 AromaticContact CE2-CZ 3.62Å; F31-F121 HydrophobicContact CE2-CZ 3.62Å; F31-F121 HydrophobicContact CG-CE2 4.41Å; F31-F121 HydrophobicContact CZ-CD2 4.01Å; F31-F121 AromaticContact CZ-CE1 3.95Å; F31-F121 HydrophobicContact CZ-CE1 3.95Å; F31-F121 AromaticContact CZ-CE2 3.21Å; F31-F121 HydrophobicContact CZ-CE2 3.21Å; F31-F121 AromaticContact CZ-CZ 3.19Å; F31-F121 HydrophobicContact CZ-CZ 3.19Å; F31-A124 HydrophobicContact CD2-CB 3.87Å; F31-A124 HydrophobicContact CE2-CB 4.4Å; F31-L125 HydrophobicContact CE2-CB 3.84Å; F31-L125 HydrophobicContact CE2-CD1 4.46Å; F31-L125 HydrophobicContact CZ-CB 4.12Å; F31-L125 HydrophobicContact CZ-CD1 3.96Å; F31-I128 HydrophobicContact CB-CD1 3.87Å; F31-I128 HydrophobicContact CD1-CD1 4.21Å; F31-I128 HydrophobicContact CD2-CD1 3.89Å; F31-I128 HydrophobicContact CE2-CD1 4.47Å; F31-I128 HydrophobicContact CG-CD1 3.72Å
32	I	97.4	Very high	93.3	Very high	97 Å²	97	39.1 Å²	39.1	50%	0.497	22%	0.22	S	C	.	.	H	α-helix	trans	-65.4	-45.7	177	-66.4	166.7	0	0	0	110.4	I28 T29 L34 A35 V36	I28-I32 HydrophobicContact CG2-CD1 3.93Å; I28-I32 WeakPolarHBondContact O-CG1 3.45Å; I28-I32 PolarHBondContact O-N 3.28Å; T29-I32 PolarHBondContact O-N 3.5Å; I32-L34 VanDerWaalsContact C-N 3.29Å; I32-L34 PolarHBondContact O-N 3.34Å; I32-A35 WeakPolarHBondContact O-CB 3.49Å; I32-A35 PolarHBondContact O-N 2.73Å; I32-A35 VanDerWaalsContact O-N 3.13Å; I32-V36 WeakPolarHBondContact O-CG2 3.46Å; I32-V36 PolarHBondContact O-N 2.91Å
33	I	97.9	Very high	94.3	Very high	36 Å²	36	36 Å²	36	19%	0.185	22%	0.216	C	C	.	.	H	α-helix	trans	-60.4	-41	177.5	-67.5	171	0	0	0	110.5	T29 A35 V36 A37 F213 I216 A217 I220	T29-I33 HydrophobicContact CG2-CD1 3.71Å; T29-I33 HydrophobicContact CG2-CG1 4.37Å; T29-I33 VanDerWaalsContact O-CG1 3.27Å; T29-I33 WeakPolarHBondContact O-CG1 3.14Å; T29-I33 PolarHBondContact O-N 3Å; I33-A35 PolarHBondContact O-N 2.92Å; I33-V36 PolarHBondContact O-N 3.32Å; I33-A37 WeakPolarHBondContact O-CB 3.3Å; I33-A37 PolarHBondContact O-N 3.41Å; I33-F213 HydrophobicContact CG2-CB 3.8Å; I33-F213 HydrophobicContact CG2-CD1 4.44Å; I33-F213 HydrophobicContact CG2-CG 4.3Å; I33-F213 VanDerWaalsContact CG2-O 3.26Å; I33-F213 WeakPolarHBondContact CG2-O 3.41Å; I33-I216 HydrophobicContact CD1-CG2 3.93Å; I33-I216 HydrophobicContact CG2-CG2 4.41Å; I33-A217 HydrophobicContact CB-CB 4.45Å; I33-A217 HydrophobicContact CG2-CB 4.07Å; I33-I220 HydrophobicContact CD1-CD1 3.81Å
34	L	98	Very high	95	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-42.3	174.5	179.9	62.7	0	0	0	112	G30 F31 I32 V36 A37 I38 M117 C120 F121 I152 A217	G30-L34 WeakPolarHBondContact O-CB 3.45Å; G30-L34 PolarHBondContact O-N 3.4Å; F31-L34 PolarHBondContact O-N 2.84Å; I32-L34 VanDerWaalsContact C-N 3.29Å; I32-L34 PolarHBondContact O-N 3.34Å; L34-V36 VanDerWaalsContact C-N 3.31Å; L34-V36 PolarHBondContact O-N 3.34Å; L34-A37 PolarHBondContact O-N 2.96Å; L34-I38 HydrophobicContact CD1-CD1 4.32Å; L34-I38 HydrophobicContact CD1-CG1 4.43Å; L34-I38 HydrophobicContact CG-CD1 4.08Å; L34-I38 WeakPolarHBondContact O-CG1 3.13Å; L34-I38 PolarHBondContact O-N 3.02Å; L34-M117 HydrophobicContact CD1-CB 4.1Å; L34-M117 HydrophobicContact CD1-CG 4.12Å; L34-M117 HydrophobicContact CD1-SD 4.39Å; L34-C120 HydrophobicContact CD2-CB 4.35Å; L34-F121 HydrophobicContact CD2-CB 4.01Å; L34-F121 HydrophobicContact CD2-CD2 4.27Å; L34-F121 HydrophobicContact CG-CD2 4.36Å; L34-I152 HydrophobicContact CD1-CD1 4.33Å; L34-I152 HydrophobicContact CD1-CG1 4.37Å; L34-I152 HydrophobicContact CD1-CG2 4.26Å; L34-I152 HydrophobicContact CD2-CD1 3.89Å; L34-I152 HydrophobicContact CD2-CG1 4.45Å; L34-A217 HydrophobicContact CB-CB 4.15Å
35	A	97.9	Very high	95.5	Very high	37 Å²	37	36.8 Å²	36.8	31%	0.306	22%	0.223	S	C	.	.	H	α-helix	trans	-58.6	-44.7	175.9	0	0	0	0	0	111.7	F31 I32 I33 I38 A39 F121	F31-A35 PolarHBondContact O-N 3.38Å; I32-A35 WeakPolarHBondContact O-CB 3.49Å; I32-A35 PolarHBondContact O-N 2.73Å; I32-A35 VanDerWaalsContact O-N 3.13Å; I33-A35 PolarHBondContact O-N 2.92Å; A35-I38 PolarHBondContact O-N 3.43Å; A35-A39 PolarHBondContact O-N 2.91Å; A35-F121 HydrophobicContact CB-CD2 4.4Å; A35-F121 HydrophobicContact CB-CE2 3.67Å; A35-F121 HydrophobicContact CB-CZ 4.36Å
36	V	98.3	Very high	95.6	Very high	63 Å²	63	37.4 Å²	37.4	38%	0.382	23%	0.232	S	C	.	.	H	α-helix	trans	-64.2	-44.5	176.7	176.5	0	0	0	0	110.5	I32 I33 L34 I38 A39 L40 F213	I32-V36 WeakPolarHBondContact O-CG2 3.46Å; I32-V36 PolarHBondContact O-N 2.91Å; I33-V36 PolarHBondContact O-N 3.32Å; L34-V36 VanDerWaalsContact C-N 3.31Å; L34-V36 PolarHBondContact O-N 3.34Å; V36-I38 VanDerWaalsContact C-N 3.33Å; V36-I38 PolarHBondContact O-N 3.38Å; V36-A39 PolarHBondContact O-N 3.5Å; V36-L40 HydrophobicContact CG1-CD1 3.81Å; V36-L40 HydrophobicContact CG1-CG 4.21Å; V36-L40 VanDerWaalsContact O-CG 3.26Å; V36-L40 WeakPolarHBondContact O-CG 3.38Å; V36-L40 PolarHBondContact O-N 3.33Å; V36-F213 HydrophobicContact CG1-CD2 3.83Å; V36-F213 HydrophobicContact CG1-CE2 3.93Å
37	A	98.2	Very high	95.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.4	-43.4	177.3	0	0	0	0	0	112.1	I33 L34 L40 A41 M117 F213 C214	I33-A37 WeakPolarHBondContact O-CB 3.3Å; I33-A37 PolarHBondContact O-N 3.41Å; L34-A37 PolarHBondContact O-N 2.96Å; A37-L40 PolarHBondContact O-N 2.97Å; A37-A41 WeakPolarHBondContact O-CB 3.48Å; A37-A41 PolarHBondContact O-N 3.36Å; A37-M117 HydrophobicContact CB-SD 4.41Å; A37-F213 HydrophobicContact CB-CB 3.91Å; A37-C214 HydrophobicContact CB-CB 4.41Å
38	I	98.1	Very high	95.6	Very high	26 Å²	26	38.2 Å²	38.2	13%	0.133	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-47.6	176	-68.2	164.3	0	0	0	110.9	L34 A35 V36 L40 A41 A42 M117 F121	L34-I38 HydrophobicContact CD1-CD1 4.32Å; L34-I38 HydrophobicContact CD1-CG1 4.43Å; L34-I38 HydrophobicContact CG-CD1 4.08Å; L34-I38 WeakPolarHBondContact O-CG1 3.13Å; L34-I38 PolarHBondContact O-N 3.02Å; A35-I38 PolarHBondContact O-N 3.43Å; V36-I38 VanDerWaalsContact C-N 3.33Å; V36-I38 PolarHBondContact O-N 3.38Å; I38-L40 VanDerWaalsContact C-N 3.33Å; I38-L40 PolarHBondContact O-N 3.02Å; I38-A41 PolarHBondContact O-N 3.3Å; I38-A42 WeakPolarHBondContact O-CB 3.27Å; I38-A42 PolarHBondContact O-N 3.23Å; I38-M117 HydrophobicContact CD1-CB 4.03Å; I38-M117 HydrophobicContact CG1-CB 3.6Å; I38-M117 HydrophobicContact CG1-SD 4.34Å; I38-F121 HydrophobicContact CD1-CB 3.73Å; I38-F121 HydrophobicContact CD1-CD2 4.19Å; I38-F121 HydrophobicContact CD1-CG 4.07Å
39	A	97.9	Very high	95.5	Very high	60 Å²	60	36.7 Å²	36.7	50%	0.496	24%	0.237	S	C	.	.	H	α-helix	trans	-61.5	-42.1	-179.7	0	0	0	0	0	111.9	A35 V36 A43	A35-A39 PolarHBondContact O-N 2.91Å; V36-A39 PolarHBondContact O-N 3.5Å; A39-A43 VanDerWaalsContact O-CB 3.25Å; A39-A43 WeakPolarHBondContact O-CB 3.18Å; A39-A43 PolarHBondContact O-N 2.89Å
40	L	97.9	Very high	95.4	Very high	32 Å²	32	34.1 Å²	34.1	17%	0.168	22%	0.221	C	C	.	.	H	α-helix	trans	-67.6	-41.1	177.3	-66	172.4	0	0	0	112.3	V36 A37 I38 A43 S44 L206 L209 A210 F213	V36-L40 HydrophobicContact CG1-CD1 3.81Å; V36-L40 HydrophobicContact CG1-CG 4.21Å; V36-L40 VanDerWaalsContact O-CG 3.26Å; V36-L40 WeakPolarHBondContact O-CG 3.38Å; V36-L40 PolarHBondContact O-N 3.33Å; A37-L40 PolarHBondContact O-N 2.97Å; I38-L40 VanDerWaalsContact C-N 3.33Å; I38-L40 PolarHBondContact O-N 3.02Å; L40-A43 PolarHBondContact O-N 3Å; L40-S44 WeakPolarHBondContact O-CB 3.32Å; L40-S44 PolarHBondContact O-N 3.37Å; L40-S44 PolarHBondContact O-OG 3.37Å; L40-L206 HydrophobicContact CD2-CD2 3.53Å; L40-L209 HydrophobicContact CD1-CB 3.98Å; L40-A210 HydrophobicContact CB-CB 3.81Å; L40-F213 HydrophobicContact CD1-CD2 3.61Å; L40-F213 HydrophobicContact CD1-CE2 3.79Å
41	A	97.3	Very high	95.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.3	-41.6	176	0	0	0	0	0	112	A37 I38 S44 V45 H110 I114 M117 A210	A37-A41 WeakPolarHBondContact O-CB 3.48Å; A37-A41 PolarHBondContact O-N 3.36Å; I38-A41 PolarHBondContact O-N 3.3Å; A41-S44 WeakPolarHBondContact CA-OG 3.16Å; A41-S44 PolarHBondContact O-N 3.29Å; A41-S44 PolarHBondContact O-OG 3.27Å; A41-V45 WeakPolarHBondContact O-CG2 3.41Å; A41-V45 PolarHBondContact O-N 2.94Å; A41-V45 VanDerWaalsContact O-N 3.16Å; A41-H110 PolarHBondContact O-NE2 2.89Å; A41-I114 HydrophobicContact CB-CD1 4.12Å; A41-I114 HydrophobicContact CB-CG1 3.76Å; A41-M117 HydrophobicContact CB-CE 3.81Å; A41-A210 HydrophobicContact CB-CB 3.94Å
42	A	96.6	Very high	94.7	Very high	47 Å²	47	35.7 Å²	35.7	39%	0.388	23%	0.23	S	C	.	.	H	α-helix	trans	-64.5	-41.6	174.8	0	0	0	0	0	111.5	I38 A46	I38-A42 WeakPolarHBondContact O-CB 3.27Å; I38-A42 PolarHBondContact O-N 3.23Å; A42-A46 PolarHBondContact O-N 3.22Å
43	A	95.9	Very high	94.3	Very high	39 Å²	39	31.5 Å²	31.5	32%	0.322	21%	0.208	S	C	.	.	H	α-helix	trans	-65.9	-40.7	177	0	0	0	0	0	112.3	A39 L40 A46 L47 L206	A39-A43 VanDerWaalsContact O-CB 3.25Å; A39-A43 WeakPolarHBondContact O-CB 3.18Å; A39-A43 PolarHBondContact O-N 2.89Å; L40-A43 PolarHBondContact O-N 3Å; A43-A46 PolarHBondContact O-N 3.47Å; A43-L47 VanDerWaalsContact O-CG 3.27Å; A43-L47 WeakPolarHBondContact O-CG 3.44Å; A43-L47 PolarHBondContact O-N 2.67Å; A43-L47 VanDerWaalsContact O-N 3.16Å; A43-L206 HydrophobicContact CB-CD1 4.33Å
44	S	95.5	Very high	93.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.1	-45.5	178.3	61.4	0	0	0	0	111.2	L40 A41 A46 L47 F50 H110 G203	L40-S44 WeakPolarHBondContact O-CB 3.32Å; L40-S44 PolarHBondContact O-N 3.37Å; L40-S44 PolarHBondContact O-OG 3.37Å; A41-S44 WeakPolarHBondContact CA-OG 3.16Å; A41-S44 PolarHBondContact O-N 3.29Å; A41-S44 PolarHBondContact O-OG 3.27Å; S44-A46 VanDerWaalsContact C-N 3.26Å; S44-A46 PolarHBondContact O-N 3.25Å; S44-L47 PolarHBondContact O-N 2.97Å; S44-F50 VanDerWaalsContact O-CE2 3.27Å; S44-F50 WeakPolarHBondContact O-CE2 3.4Å; S44-H110 PolarHBondContact OG-CE1 3.3Å; S44-H110 PolarHBondContact OG-NE2 3.03Å; S44-G203 WeakPolarHBondContact CB-O 3.4Å
45	V	92.9	Very high	93	Very high	42 Å²	42	33.2 Å²	33.2	26%	0.255	23%	0.226	S	C	.	.	H	α-helix	trans	-58.4	-37.6	175.4	174.9	0	0	0	0	112.5	A41 Y73 L107 H110 I114	A41-V45 WeakPolarHBondContact O-CG2 3.41Å; A41-V45 PolarHBondContact O-N 2.94Å; A41-V45 VanDerWaalsContact O-N 3.16Å; V45-Y73 HydrophobicContact CG1-CD2 4.49Å; V45-Y73 HydrophobicContact CG2-CE2 4.24Å; V45-L107 HydrophobicContact CG1-CD1 3.94Å; V45-H110 HydrophobicContact CG2-CB 4.43Å; V45-H110 WeakPolarHBondContact CG2-CE1 3.27Å; V45-H110 WeakPolarHBondContact CG2-ND1 3.48Å; V45-H110 WeakPolarHBondContact CG2-NE2 3.28Å; V45-I114 HydrophobicContact CG2-CD1 3.78Å
46	A	91.1	Very high	92.1	Very high	78 Å²	78	35.9 Å²	35.9	65%	0.645	24%	0.242	S	C	*	.	H	α-helix	trans	-76.2	-22.6	-176.9	0	0	0	0	0	114	A42 A43 S44	A42-A46 PolarHBondContact O-N 3.22Å; A43-A46 PolarHBondContact O-N 3.47Å; S44-A46 VanDerWaalsContact C-N 3.26Å; S44-A46 PolarHBondContact O-N 3.25Å
47	L	90.8	Very high	91	Very high	65 Å²	65	34.3 Å²	34.3	34%	0.34	23%	0.233	S	C	.	.			trans	-90.4	125	-173.5	-73.7	169.2	0	0	0	112	A43 S44 T49 L206	A43-L47 VanDerWaalsContact O-CG 3.27Å; A43-L47 WeakPolarHBondContact O-CG 3.44Å; A43-L47 PolarHBondContact O-N 2.67Å; A43-L47 VanDerWaalsContact O-N 3.16Å; S44-L47 PolarHBondContact O-N 2.97Å; L47-T49 PolarHBondContact O-N 3.45Å; L47-L206 HydrophobicContact CD1-CD1 3.43Å; L47-L206 VanDerWaalsContact CD1-CD1 3.43Å
48	P	88.2	Confident	89.5	Confident	32 Å²	32	41.5 Å²	41.5	21%	0.208	26%	0.264	C	S	.	.	S	Bend	trans	-80.8	43.6	176.8	35.3	-36.4	0	0	0	112	S70 M71 Q75	P48-S70 CarbonylContact O-C 3.53Å; P48-S70 WeakPolarHBondContact O-CB 3.48Å; P48-S70 PolarHBondContact O-OG 3.36Å; P48-M71 CarbonylContact C-O 3.55Å; P48-M71 CarbonylContact O-C 2.95Å; P48-M71 PolarHBondContact O-N 3.35Å; P48-Q75 HydrophobicContact CB-CB 4.5Å
49	T	90.7	Very high	87.9	Confident	24 Å²	24	41.6 Å²	41.6	15%	0.147	27%	0.265	C	S	.	.			trans	-132.9	45.5	-171.1	59.8	0	0	0	0	112	L47 M52 G201 S202 G203	L47-T49 PolarHBondContact O-N 3.45Å; T49-M52 HydrophobicContact CG2-SD 4.25Å; T49-G201 CarbonylContact O-C 3.52Å; T49-G201 WeakPolarHBondContact O-CA 3.37Å; T49-S202 PolarHBondContact O-N 3.08Å; T49-S202 VanDerWaalsContact O-N 3.14Å; T49-S202 PolarHBondContact OG1-OG 3.32Å; T49-G203 PolarHBondContact O-N 3.15Å; T49-G203 PolarHBondContact OG1-N 3.2Å; T49-G203 VanDerWaalsContact OG1-N 3.09Å
50	F	90.4	Very high	86.2	Confident	4 Å²	4	43 Å²	43	2%	0.018	28%	0.276	C	S	.	.	S	Bend	trans	-76.4	-45.5	169.9	-85.5	-111.3	0	0	0	111.5	S44 M71 Y73 F166 G201 L207	S44-F50 VanDerWaalsContact O-CE2 3.27Å; S44-F50 WeakPolarHBondContact O-CE2 3.4Å; F50-M71 WeakPolarHBondContact CA-O 3.41Å; F50-M71 WeakPolarHBondContact CB-O 3.25Å; F50-M71 PolarHBondContact N-O 3.02Å; F50-Y73 HydrophobicContact CE1-CE2 4.01Å; F50-Y73 AromaticContact CE1-CZ 3.8Å; F50-Y73 WeakPolarHBondContact CE1-OH 3.25Å; F50-Y73 AromaticContact CE2-CD2 3.97Å; F50-Y73 HydrophobicContact CE2-CD2 3.97Å; F50-Y73 AromaticContact CE2-CE2 3.51Å; F50-Y73 HydrophobicContact CE2-CE2 3.51Å; F50-Y73 HydrophobicContact CZ-CD2 4.14Å; F50-Y73 AromaticContact CZ-CE2 3.23Å; F50-Y73 HydrophobicContact CZ-CE2 3.23Å; F50-Y73 AromaticContact CZ-CZ 3.5Å; F50-Y73 VanDerWaalsContact CZ-CZ 3.5Å; F50-Y73 VanDerWaalsContact CZ-OH 3.29Å; F50-Y73 WeakPolarHBondContact CZ-OH 3.35Å; F50-F166 HydrophobicContact CB-CE2 3.9Å; F50-F166 HydrophobicContact CB-CZ 4.26Å; F50-F166 HydrophobicContact CD1-CD2 4.08Å; F50-F166 AromaticContact CD1-CE2 3.99Å; F50-F166 HydrophobicContact CD1-CE2 3.99Å; F50-F166 HydrophobicContact CD1-CZ 4.44Å; F50-F166 HydrophobicContact CG-CE2 4.43Å; F50-G201 PolarHBondContact O-N 3.24Å; F50-L207 HydrophobicContact CE1-CD2 3.75Å; F50-L207 HydrophobicContact CZ-CD2 4.23Å
51	V	90.3	Very high	84.7	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.6	176.9	-176.5	0	0	0	0	109.1	I53 S70 M71 F166 I198	V51-I53 HydrophobicContact CG1-CD1 4.45Å; V51-I53 HydrophobicContact CG1-CG1 3.94Å; V51-S70 CarbonylContact O-C 3.58Å; V51-S70 WeakPolarHBondContact O-CA 3.38Å; V51-M71 HydrophobicContact CB-CB 4.42Å; V51-M71 PolarHBondContact N-O 3.31Å; V51-M71 PolarHBondContact O-N 3.04Å; V51-F166 HydrophobicContact CG2-CE2 3.72Å; V51-F166 HydrophobicContact CG2-CZ 3.45Å; V51-F166 VanDerWaalsContact CG2-CZ 3.45Å; V51-I198 HydrophobicContact CG1-CG2 3.78Å
52	M	88.5	Confident	83.1	Confident	65 Å²	65	48.4 Å²	48.4	32%	0.32	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.1	173.6	-59.1	-61.2	-62	0	0	108.3	T49 S70 I198 D199	T49-M52 HydrophobicContact CG2-SD 4.25Å; M52-S70 WeakPolarHBondContact SD-CB 3.4Å; M52-I198 WeakPolarHBondContact O-CA 3.45Å; M52-D199 PolarHBondContact N-O 3.21Å; M52-D199 PolarHBondContact O-N 3.4Å
53	I	86.9	Confident	81.7	Confident	9 Å²	9	49.2 Å²	49.2	5%	0.046	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.6	179.9	-56.2	-177.1	0	0	0	108	V51 A68 R69 M71 W188 T196 S197	V51-I53 HydrophobicContact CG1-CD1 4.45Å; V51-I53 HydrophobicContact CG1-CG1 3.94Å; I53-A68 CarbonylContact O-C 3.56Å; I53-A68 VanDerWaalsContact O-CA 3.26Å; I53-A68 WeakPolarHBondContact O-CA 3.25Å; I53-R69 HydrophobicContact CB-CG 3.95Å; I53-R69 PolarHBondContact N-O 3.24Å; I53-R69 PolarHBondContact O-N 3.17Å; I53-M71 HydrophobicContact CD1-CE 3.49Å; I53-M71 VanDerWaalsContact CD1-CE 3.49Å; I53-M71 HydrophobicContact CD1-SD 3.98Å; I53-W188 HydrophobicContact CD1-CH2 4.15Å; I53-W188 HydrophobicContact CD1-CZ2 4.09Å; I53-W188 HydrophobicContact CG2-CH2 3.7Å; I53-W188 HydrophobicContact CG2-CZ2 4.16Å; I53-T196 HydrophobicContact CG2-CG2 3.42Å; I53-T196 VanDerWaalsContact CG2-CG2 3.42Å; I53-S197 WeakPolarHBondContact CA-O 3.28Å
54	A	86.9	Confident	80.2	Confident	49 Å²	49	50.3 Å²	50.3	41%	0.405	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	92	-179	0	0	0	0	0	110.3	S197	A54-S197 PolarHBondContact N-O 3.3Å; A54-S197 PolarHBondContact O-N 3.27Å
55	P	82.1	Confident	79	Confident	24 Å²	24	50.5 Å²	50.5	16%	0.156	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	132.2	175.7	29.7	-33.2	0	0	0	110.3	N66 T196	P55-N66 VanDerWaalsContact CG-C 3.42Å; P55-N66 WeakPolarHBondContact CG-O 3.46Å; P55-T196 HydrophobicContact CB-CG2 4.31Å
56	S	79.7	Confident	78	Confident	92 Å²	92	49.7 Å²	49.7	64%	0.643	32%	0.315	S	S	*	.			trans	-96.2	-9	176.4	62.5	0	0	0	0	113.7	T195	S56-T195 VanDerWaalsContact OG-CB 3.3Å; S56-T195 WeakPolarHBondContact OG-CB 2.93Å; S56-T195 PolarHBondContact OG-O 2.72Å
57	V	74.4	Confident	77.5	Confident	31 Å²	31	48.6 Å²	48.6	19%	0.188	30%	0.296	C	S	.	.	S	Bend	trans	-125.7	134.2	-177.1	177.7	0	0	0	0	110.3	K191 T195	V57-K191 HydrophobicContact CG1-CD 3.69Å; V57-K191 VanDerWaalsContact CG1-CE 3.48Å; V57-K191 HydrophobicContact CG1-CG 4.01Å; V57-T195 HydrophobicContact CG2-CG2 3.86Å; V57-T195 VanDerWaalsContact CG2-OG1 3.29Å; V57-T195 WeakPolarHBondContact CG2-OG1 3.2Å
58	F	67.6	Low	77.3	Confident	150 Å²	150	47.2 Å²	47.2	66%	0.658	29%	0.294	S	S	*	.			trans	-78.1	131.3	172.6	-175.5	-93.3	0	0	0	111.6	A60 N66	F58-A60 HydrophobicContact CE1-CB 4.03Å; F58-N66 HydrophobicContact CD2-CB 4.17Å; F58-N66 WeakPolarHBondContact CD2-ND2 3.32Å; F58-N66 WeakPolarHBondContact CE2-ND2 3.47Å
59	D	64.9	Low	77.3	Confident	29 Å²	29	45.8 Å²	45.8	16%	0.155	28%	0.284	C	S	.	.			trans	-120.3	117	170.1	-170.3	-26.3	0	0	0	110.4	S61 N62 N66 S189 Q192	D59-S61 PolarHBondContact O-N 3.33Å; D59-S61 VanDerWaalsContact OD1-CB 3.29Å; D59-S61 WeakPolarHBondContact OD1-CB 3.34Å; D59-S61 PolarHBondContact OD1-N 2.66Å; D59-S61 PolarHBondContact OD1-OG 3.3Å; D59-S61 PolarHBondContact OD2-OG 3.2Å; D59-N62 PolarHBondContact O-N 3.22Å; D59-N66 PolarHBondContact N-ND2 3.33Å; D59-N66 PolarHBondContact N-OD1 3.38Å; D59-N66 PolarHBondContact O-ND2 2.87Å; D59-N66 PolarHBondContact O-OD1 2.77Å; D59-S189 WeakPolarHBondContact OD2-CB 3.33Å; D59-S189 PolarHBondContact OD2-OG 2.81Å; D59-Q192 VanDerWaalsContact CB-CD 3.46Å; D59-Q192 HydrophobicContact CB-CG 3.87Å
60	A	62	Low	77.2	Confident	88 Å²	88	45.2 Å²	45.2	73%	0.727	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-15	-178	0	0	0	0	0	114	F58	F58-A60 HydrophobicContact CE1-CB 4.03Å
61	S	66.2	Low	77.1	Confident	91 Å²	91	45.7 Å²	45.7	64%	0.636	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-29.1	-176.3	62.7	0	0	0	0	114.3	D59	D59-S61 PolarHBondContact O-N 3.33Å; D59-S61 VanDerWaalsContact OD1-CB 3.29Å; D59-S61 WeakPolarHBondContact OD1-CB 3.34Å; D59-S61 PolarHBondContact OD1-N 2.66Å; D59-S61 PolarHBondContact OD1-OG 3.3Å; D59-S61 PolarHBondContact OD2-OG 3.2Å
62	N	64.5	Low	77	Confident	56 Å²	56	45.8 Å²	45.8	30%	0.299	29%	0.285	S	S	.	.			trans	-150.7	98.5	178.6	-163.3	-23.4	0	0	0	112.1	D59 N64 V65 N66	D59-N62 PolarHBondContact O-N 3.22Å; N62-N64 PolarHBondContact O-N 2.86Å; N62-N64 VanDerWaalsContact O-N 3.1Å; N62-N64 PolarHBondContact OD1-N 3.43Å; N62-V65 HydrophobicContact CB-CB 4.12Å; N62-V65 HydrophobicContact CB-CG2 3.73Å; N62-V65 VanDerWaalsContact CG-CG2 3.45Å; N62-V65 WeakPolarHBondContact ND2-CG2 3.34Å; N62-V65 PolarHBondContact O-N 3.08Å; N62-N66 PolarHBondContact O-ND2 2.93Å
63	A	65.7	Low	76.8	Confident	64 Å²	64	43.4 Å²	43.4	53%	0.529	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.5	-175.5	0	0	0	0	0	113.6
64	N	66.1	Low	76.7	Confident	61 Å²	61	46.3 Å²	46.3	33%	0.326	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-26.2	-179.9	-69.8	-21.4	0	0	0	113	N62 N66 K67 Y183	N62-N64 PolarHBondContact O-N 2.86Å; N62-N64 VanDerWaalsContact O-N 3.1Å; N62-N64 PolarHBondContact OD1-N 3.43Å; N64-N66 PolarHBondContact O-N 3.34Å; N64-K67 PolarHBondContact O-N 3.04Å; N64-Y183 HydrophobicContact CB-CE1 4.01Å
65	V	69.8	Low	76.8	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.024	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-26	176.7	180	0	0	0	0	110.9	N62 K67 R69 W188	N62-V65 HydrophobicContact CB-CB 4.12Å; N62-V65 HydrophobicContact CB-CG2 3.73Å; N62-V65 VanDerWaalsContact CG-CG2 3.45Å; N62-V65 WeakPolarHBondContact ND2-CG2 3.34Å; N62-V65 PolarHBondContact O-N 3.08Å; V65-K67 VanDerWaalsContact C-N 3.28Å; V65-K67 PolarHBondContact O-N 3.49Å; V65-R69 PolarHBondContact O-NH1 3.29Å; V65-W188 HydrophobicContact CG1-CD2 4.24Å; V65-W188 HydrophobicContact CG1-CG 3.82Å
66	N	72	Confident	77	Confident	25 Å²	25	46.9 Å²	46.9	13%	0.134	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-7.4	177.2	-59.8	-33.8	0	0	0	114.6	P55 F58 D59 N62 N64 Q192	P55-N66 VanDerWaalsContact CG-C 3.42Å; P55-N66 WeakPolarHBondContact CG-O 3.46Å; F58-N66 HydrophobicContact CD2-CB 4.17Å; F58-N66 WeakPolarHBondContact CD2-ND2 3.32Å; F58-N66 WeakPolarHBondContact CE2-ND2 3.47Å; D59-N66 PolarHBondContact N-ND2 3.33Å; D59-N66 PolarHBondContact N-OD1 3.38Å; D59-N66 PolarHBondContact O-ND2 2.87Å; D59-N66 PolarHBondContact O-OD1 2.77Å; N62-N66 PolarHBondContact O-ND2 2.93Å; N64-N66 PolarHBondContact O-N 3.34Å; N66-Q192 PolarHBondContact OD1-NE2 2.84Å
67	K	80.3	Confident	77.5	Confident	56 Å²	56	43.2 Å²	43.2	24%	0.243	26%	0.258	C	S	.	.	S	Bend	trans	-89.8	132.7	-179.3	-67.2	-178.9	179.1	-175.9	0	109.7	N64 V65 R69 F78 D81	N64-K67 PolarHBondContact O-N 3.04Å; V65-K67 VanDerWaalsContact C-N 3.28Å; V65-K67 PolarHBondContact O-N 3.49Å; K67-R69 PolarHBondContact O-N 2.93Å; K67-F78 HydrophobicContact CB-CD1 3.63Å; K67-F78 HydrophobicContact CB-CE1 4.24Å; K67-F78 HydrophobicContact CD-CD1 4.1Å; K67-D81 IonicContact NZ-OD1 3.6Å; K67-D81 IonicContact NZ-OD2 3.53Å; K67-D81 PolarHBondContact NZ-OD2 2.79Å
68	A	86.1	Confident	78.1	Confident	35 Å²	35	42 Å²	42	29%	0.289	25%	0.25	S	C	.	.			trans	-58.4	132.2	166.7	0	0	0	0	0	109.2	I53 T79	I53-A68 CarbonylContact O-C 3.56Å; I53-A68 VanDerWaalsContact O-CA 3.26Å; I53-A68 WeakPolarHBondContact O-CA 3.25Å; A68-T79 PolarHBondContact O-N 3.46Å; A68-T79 PolarHBondContact O-OG1 3.3Å
69	R	87.6	Confident	78.8	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	147.1	-171.7	61.8	-170.5	-176.8	-90.9	2.9	112.2	I53 V65 K67 M71 V76 C77 F78 Y183	I53-R69 HydrophobicContact CB-CG 3.95Å; I53-R69 PolarHBondContact N-O 3.24Å; I53-R69 PolarHBondContact O-N 3.17Å; V65-R69 PolarHBondContact O-NH1 3.29Å; K67-R69 PolarHBondContact O-N 2.93Å; R69-M71 HydrophobicContact CG-CE 4.15Å; R69-V76 HydrophobicContact CB-CG1 4.07Å; R69-V76 HydrophobicContact CG-CG1 4.42Å; R69-C77 CarbonylContact C-O 3.47Å; R69-C77 WeakPolarHBondContact CA-O 3.34Å; R69-F78 HydrophobicContact CB-CD1 3.9Å; R69-F78 HydrophobicContact CB-CE1 4.15Å; R69-Y183 PolarHBondContact NH2-O 3.44Å
70	S	89.4	Confident	79.3	Confident	12 Å²	12	40.8 Å²	40.8	8%	0.084	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	144.9	168.7	75.4	0	0	0	0	109.5	P48 V51 M52 V76 C77	P48-S70 CarbonylContact O-C 3.53Å; P48-S70 WeakPolarHBondContact O-CB 3.48Å; P48-S70 PolarHBondContact O-OG 3.36Å; V51-S70 CarbonylContact O-C 3.58Å; V51-S70 WeakPolarHBondContact O-CA 3.38Å; M52-S70 WeakPolarHBondContact SD-CB 3.4Å; S70-V76 CarbonylContact O-C 3.36Å; S70-V76 WeakPolarHBondContact O-CA 3.26Å; S70-C77 PolarHBondContact N-O 2.79Å; S70-C77 PolarHBondContact O-N 3.48Å
71	M	88	Confident	80.1	Confident	14 Å²	14	40.5 Å²	40.5	7%	0.069	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.8	-178.7	-63.8	-175.9	178.2	0	0	110	P48 F50 V51 I53 R69 V76 R87	P48-M71 CarbonylContact C-O 3.55Å; P48-M71 CarbonylContact O-C 2.95Å; P48-M71 PolarHBondContact O-N 3.35Å; F50-M71 WeakPolarHBondContact CA-O 3.41Å; F50-M71 WeakPolarHBondContact CB-O 3.25Å; F50-M71 PolarHBondContact N-O 3.02Å; V51-M71 HydrophobicContact CB-CB 4.42Å; V51-M71 PolarHBondContact N-O 3.31Å; V51-M71 PolarHBondContact O-N 3.04Å; I53-M71 HydrophobicContact CD1-CE 3.49Å; I53-M71 VanDerWaalsContact CD1-CE 3.49Å; I53-M71 HydrophobicContact CD1-SD 3.98Å; R69-M71 HydrophobicContact CG-CE 4.15Å; M71-V76 HydrophobicContact CE-CG1 4.43Å; M71-V76 HydrophobicContact CG-CG1 4.13Å; M71-V76 HydrophobicContact CG-CG2 4.06Å; M71-R87 PolarHBondContact SD-NH2 2.75Å
72	G	87.9	Confident	80.9	Confident	4 Å²	4	43.3 Å²	43.3	4%	0.041	25%	0.253	C	S	.	.			trans	-122.9	-161.6	164.8	0	0	0	0	0	111.8	T74 Q75 R87	G72-T74 PolarHBondContact O-N 3.35Å; G72-Q75 PolarHBondContact N-O 2.81Å; G72-R87 PolarHBondContact O-NE 3.39Å; G72-R87 PolarHBondContact O-NH1 2.99Å; G72-R87 VanDerWaalsContact O-NH1 3.1Å
73	Y	85.6	Confident	82	Confident	16 Å²	16	43.5 Å²	43.5	6%	0.063	26%	0.256	C	S	.	.	S	Bend	trans	-54.1	-53.6	179.1	-72.6	-68.6	0	0	0	113.2	V45 F50 E106 L107 H110 S162	V45-Y73 HydrophobicContact CG1-CD2 4.49Å; V45-Y73 HydrophobicContact CG2-CE2 4.24Å; F50-Y73 HydrophobicContact CE1-CE2 4.01Å; F50-Y73 AromaticContact CE1-CZ 3.8Å; F50-Y73 WeakPolarHBondContact CE1-OH 3.25Å; F50-Y73 AromaticContact CE2-CD2 3.97Å; F50-Y73 HydrophobicContact CE2-CD2 3.97Å; F50-Y73 AromaticContact CE2-CE2 3.51Å; F50-Y73 HydrophobicContact CE2-CE2 3.51Å; F50-Y73 HydrophobicContact CZ-CD2 4.14Å; F50-Y73 AromaticContact CZ-CE2 3.23Å; F50-Y73 HydrophobicContact CZ-CE2 3.23Å; F50-Y73 AromaticContact CZ-CZ 3.5Å; F50-Y73 VanDerWaalsContact CZ-CZ 3.5Å; F50-Y73 VanDerWaalsContact CZ-OH 3.29Å; F50-Y73 WeakPolarHBondContact CZ-OH 3.35Å; Y73-E106 HydrophobicContact CE1-CB 3.96Å; Y73-E106 HydrophobicContact CE1-CG 3.61Å; Y73-E106 WeakPolarHBondContact CE1-OE1 3.32Å; Y73-E106 PolarHBondContact OH-OE1 2.89Å; Y73-L107 HydrophobicContact CD1-CB 3.79Å; Y73-L107 HydrophobicContact CD1-CD1 4.19Å; Y73-L107 HydrophobicContact CD2-CD1 4.03Å; Y73-L107 HydrophobicContact CE1-CB 4.23Å; Y73-L107 HydrophobicContact CG-CB 4.28Å; Y73-L107 HydrophobicContact CG-CD1 3.88Å; Y73-H110 AromaticContact CE2-ND1 3.62Å; Y73-H110 AromaticContact CZ-ND1 3.49Å; Y73-H110 PolarHBondContact OH-ND1 3.07Å; Y73-S162 PolarHBondContact OH-OG 3.44Å
74	T	85	Confident	83	Confident	69 Å²	69	44 Å²	44	42%	0.423	26%	0.255	S	S	.	.	S	Bend	trans	-115.3	-11	-166.2	57	0	0	0	0	113.5	G72 Q86 R87 L107	G72-T74 PolarHBondContact O-N 3.35Å; T74-Q86 CarbonylContact O-C 3.56Å; T74-Q86 WeakPolarHBondContact O-CA 3.09Å; T74-Q86 WeakPolarHBondContact O-CG 3.25Å; T74-R87 PolarHBondContact O-N 3.29Å; T74-L107 HydrophobicContact CG2-CD2 4.06Å
75	Q	87.3	Confident	83.9	Confident	81 Å²	81	45.3 Å²	45.3	38%	0.379	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150.1	-171.9	-63.4	-179.6	-0.2	0	0	112.2	P48 G72 Q85	P48-Q75 HydrophobicContact CB-CB 4.5Å; G72-Q75 PolarHBondContact N-O 2.81Å; Q75-Q85 CarbonylContact C-O 3.4Å; Q75-Q85 VanDerWaalsContact CA-O 3.28Å; Q75-Q85 WeakPolarHBondContact CA-O 3.36Å
76	V	86.9	Confident	84.6	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.03	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.7	167.1	-178.1	0	0	0	0	107.5	R69 S70 M71 F78 C84 Q85 R87	R69-V76 HydrophobicContact CB-CG1 4.07Å; R69-V76 HydrophobicContact CG-CG1 4.42Å; S70-V76 CarbonylContact O-C 3.36Å; S70-V76 WeakPolarHBondContact O-CA 3.26Å; M71-V76 HydrophobicContact CE-CG1 4.43Å; M71-V76 HydrophobicContact CG-CG1 4.13Å; M71-V76 HydrophobicContact CG-CG2 4.06Å; V76-F78 HydrophobicContact CG1-CE2 4.38Å; V76-F78 HydrophobicContact CG1-CZ 4.18Å; V76-C84 CarbonylContact O-C 3.55Å; V76-C84 WeakPolarHBondContact O-CA 3.41Å; V76-Q85 PolarHBondContact N-O 2.9Å; V76-Q85 PolarHBondContact O-N 3.47Å; V76-R87 HydrophobicContact CG2-CG 3.61Å
77	C	89.4	Confident	84.8	Confident	15 Å²	15	53 Å²	53	10%	0.101	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.6	179.2	-60.5	0	0	0	0	110.6	R69 S70 T83 C84	R69-C77 CarbonylContact C-O 3.47Å; R69-C77 WeakPolarHBondContact CA-O 3.34Å; S70-C77 PolarHBondContact N-O 2.79Å; S70-C77 PolarHBondContact O-N 3.48Å; C77-T83 CarbonylContact C-O 3.56Å; C77-T83 WeakPolarHBondContact CA-O 3.36Å; C77-C84 HydrophobicContact CB-CB 4.14Å; C77-C84 WeakPolarHBondContact CB-SG 3.24Å; C77-C84 WeakPolarHBondContact SG-CB 3.2Å; C77-C84 CovalentContact SG-SG 2.05Å; C77-C84 PolarHBondContact SG-SG 2.86Å
78	F	86.9	Confident	84.2	Confident	5 Å²	5	55.8 Å²	55.8	2%	0.022	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	122.9	179.8	-63.6	-82.2	0	0	0	110.4	K67 R69 V76 S80 N82 T83 Q85 Y183	K67-F78 HydrophobicContact CB-CD1 3.63Å; K67-F78 HydrophobicContact CB-CE1 4.24Å; K67-F78 HydrophobicContact CD-CD1 4.1Å; R69-F78 HydrophobicContact CB-CD1 3.9Å; R69-F78 HydrophobicContact CB-CE1 4.15Å; V76-F78 HydrophobicContact CG1-CE2 4.38Å; V76-F78 HydrophobicContact CG1-CZ 4.18Å; F78-S80 VanDerWaalsContact C-N 3.3Å; F78-S80 PolarHBondContact O-N 3.04Å; F78-N82 WeakPolarHBondContact O-CA 3.4Å; F78-N82 PolarHBondContact O-N 3.15Å; F78-T83 PolarHBondContact N-O 3.47Å; F78-Q85 HydrophobicContact CE2-CG 4.17Å; F78-Y183 HydrophobicContact CE1-CE1 4.29Å; F78-Y183 AromaticContact CZ-CE1 3.97Å; F78-Y183 HydrophobicContact CZ-CE1 3.97Å; F78-Y183 AromaticContact CZ-CZ 3.99Å
79	T	83.1	Confident	83.2	Confident	82 Å²	82	57.7 Å²	57.7	50%	0.503	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-30.5	-178.2	-47	0	0	0	0	112.3	A68	A68-T79 PolarHBondContact O-N 3.46Å; A68-T79 PolarHBondContact O-OG1 3.3Å
80	S	76.5	Confident	82	Confident	72 Å²	72	60.2 Å²	60.2	50%	0.503	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-36.5	-177.6	65.4	0	0	0	0	112.9	F78	F78-S80 VanDerWaalsContact C-N 3.3Å; F78-S80 PolarHBondContact O-N 3.04Å
81	D	78	Confident	80.7	Confident	82 Å²	82	65.7 Å²	65.7	44%	0.439	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-3.4	-169.1	-53.3	-8.2	0	0	0	111.7	K67 T83	K67-D81 IonicContact NZ-OD1 3.6Å; K67-D81 IonicContact NZ-OD2 3.53Å; K67-D81 PolarHBondContact NZ-OD2 2.79Å; D81-T83 HydrophobicContact CB-CG2 4.01Å; D81-T83 PolarHBondContact O-N 3.19Å; D81-T83 VanDerWaalsContact O-N 3.14Å
82	N	82.9	Confident	79.9	Confident	149 Å²	149	69.3 Å²	69.3	80%	0.797	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	33.9	-170	-72.6	-21.7	0	0	0	113.1	F78	F78-N82 WeakPolarHBondContact O-CA 3.4Å; F78-N82 PolarHBondContact O-N 3.15Å
83	T	87.4	Confident	79.4	Confident	61 Å²	61	71.1 Å²	71.1	37%	0.374	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.1	178.2	56.5	0	0	0	0	110.3	C77 F78 D81	C77-T83 CarbonylContact C-O 3.56Å; C77-T83 WeakPolarHBondContact CA-O 3.36Å; F78-T83 PolarHBondContact N-O 3.47Å; D81-T83 HydrophobicContact CB-CG2 4.01Å; D81-T83 PolarHBondContact O-N 3.19Å; D81-T83 VanDerWaalsContact O-N 3.14Å
84	C	87	Confident	79.2	Confident	73 Å²	73	78.7 Å²	78.7	49%	0.493	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.8	171.7	-62.5	0	0	0	0	109.3	V76 C77	V76-C84 CarbonylContact O-C 3.55Å; V76-C84 WeakPolarHBondContact O-CA 3.41Å; C77-C84 HydrophobicContact CB-CB 4.14Å; C77-C84 WeakPolarHBondContact CB-SG 3.24Å; C77-C84 WeakPolarHBondContact SG-CB 3.2Å; C77-C84 CovalentContact SG-SG 2.05Å; C77-C84 PolarHBondContact SG-SG 2.86Å
85	Q	85.6	Confident	79	Confident	90 Å²	90	77.1 Å²	77.1	42%	0.421	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.2	173.6	-65.7	-178.8	-8.7	0	0	108.3	Q75 V76 F78 R87	Q75-Q85 CarbonylContact C-O 3.4Å; Q75-Q85 VanDerWaalsContact CA-O 3.28Å; Q75-Q85 WeakPolarHBondContact CA-O 3.36Å; V76-Q85 PolarHBondContact N-O 2.9Å; V76-Q85 PolarHBondContact O-N 3.47Å; F78-Q85 HydrophobicContact CE2-CG 4.17Å; Q85-R87 PolarHBondContact O-N 3.24Å
86	Q	84.4	Confident	78.5	Confident	156 Å²	156	73.4 Å²	73.4	73%	0.729	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	135.9	168.9	-168.2	172.2	-10.6	0	0	108.5	T74 D88	T74-Q86 CarbonylContact O-C 3.56Å; T74-Q86 WeakPolarHBondContact O-CA 3.09Å; T74-Q86 WeakPolarHBondContact O-CG 3.25Å; Q86-D88 PolarHBondContact O-N 3.37Å
87	R	76.4	Confident	78.3	Confident	34 Å²	34	75.2 Å²	75.2	13%	0.128	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-60.3	124	172.9	-80.7	179.7	160.8	-165.9	-12.9	107.7	M71 G72 T74 V76 Q85 S89 R103 E169	M71-R87 PolarHBondContact SD-NH2 2.75Å; G72-R87 PolarHBondContact O-NE 3.39Å; G72-R87 PolarHBondContact O-NH1 2.99Å; G72-R87 VanDerWaalsContact O-NH1 3.1Å; T74-R87 PolarHBondContact O-N 3.29Å; V76-R87 HydrophobicContact CG2-CG 3.61Å; Q85-R87 PolarHBondContact O-N 3.24Å; R87-S89 PolarHBondContact O-N 2.88Å; R87-R103 VanDerWaalsContact NH2-NH2 3.14Å; R87-E169 IonicContact NH1-OE1 2.78Å; R87-E169 PolarHBondContact NH1-OE1 3.12Å
88	D	67.4	Low	78.1	Confident	115 Å²	115	78.2 Å²	78.2	62%	0.615	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-60.3	130.2	179.3	-165.1	-3.2	0	0	0	109	Q86 S90	Q86-D88 PolarHBondContact O-N 3.37Å; D88-S90 VanDerWaalsContact OD1-CB 3.23Å; D88-S90 WeakPolarHBondContact OD1-CB 3.45Å; D88-S90 PolarHBondContact OD1-N 2.78Å; D88-S90 PolarHBondContact OD1-OG 3.39Å; D88-S90 PolarHBondContact OD2-OG 2.97Å
89	S	65	Low	78	Confident	74 Å²	74	78 Å²	78	52%	0.517	42%	0.42	S	S	.	.			trans	-96.2	1.1	175.8	58.4	0	0	0	0	111.5	R87 Y91	R87-S89 PolarHBondContact O-N 2.88Å; S89-Y91 PolarHBondContact O-N 3.16Å
90	S	62.4	Low	78	Confident	55 Å²	55	75.1 Å²	75.1	39%	0.385	40%	0.403	S	S	.	.			trans	-66.5	119.7	178.7	77.9	0	0	0	0	110.6	D88 V92	D88-S90 VanDerWaalsContact OD1-CB 3.23Å; D88-S90 WeakPolarHBondContact OD1-CB 3.45Å; D88-S90 PolarHBondContact OD1-N 2.78Å; D88-S90 PolarHBondContact OD1-OG 3.39Å; D88-S90 PolarHBondContact OD2-OG 2.97Å; S90-V92 PolarHBondContact O-N 3.24Å
91	Y	61.9	Low	78.6	Confident	128 Å²	128	75.4 Å²	75.4	50%	0.502	40%	0.399	S	S	.	.			trans	-79.7	99.7	177.1	-57.8	-69.6	0	0	0	108.9	S89 T97 T100	S89-Y91 PolarHBondContact O-N 3.16Å; Y91-T97 VanDerWaalsContact CD1-CA 3.48Å; Y91-T97 HydrophobicContact CD1-CG2 3.76Å; Y91-T97 VanDerWaalsContact CD1-OG1 3.29Å; Y91-T97 WeakPolarHBondContact CD1-OG1 3.41Å; Y91-T97 HydrophobicContact CE1-CG2 3.86Å; Y91-T100 HydrophobicContact CE1-CG2 3.79Å
92	V	71.2	Confident	79.1	Confident	90 Å²	90	72.9 Å²	72.9	55%	0.545	39%	0.385	S	S	.	.			trans	-88.9	-33.2	178.8	-177.4	0	0	0	0	110.8	S90 S96 G180	S90-V92 PolarHBondContact O-N 3.24Å; V92-S96 PolarHBondContact N-OG 2.86Å; V92-G180 VanDerWaalsContact CB-CA 3.48Å
93	D	77.3	Confident	79.4	Confident	41 Å²	41	67 Å²	67	22%	0.219	35%	0.351	C	S	.	.	S	Bend	trans	-151.4	171	179.2	58.1	44	0	0	0	112.4	Y95 S96 T97 S178 S179 G180	D93-Y95 PolarHBondContact O-N 2.99Å; D93-Y95 PolarHBondContact OD1-N 3.06Å; D93-S96 PolarHBondContact N-OG 3.47Å; D93-S96 PolarHBondContact O-N 2.99Å; D93-S96 PolarHBondContact O-OG 3.31Å; D93-S96 WeakPolarHBondContact OD1-CB 3.34Å; D93-S96 PolarHBondContact OD1-N 3.49Å; D93-S96 PolarHBondContact OD1-OG 2.91Å; D93-T97 PolarHBondContact O-N 3.45Å; D93-T97 PolarHBondContact O-OG1 3.03Å; D93-S178 PolarHBondContact OD1-OG 3.47Å; D93-S178 WeakPolarHBondContact OD2-CB 3.4Å; D93-S178 PolarHBondContact OD2-OG 2.9Å; D93-S179 PolarHBondContact OD2-N 3.47Å; D93-G180 PolarHBondContact OD2-N 3.04Å; D93-G180 VanDerWaalsContact OD2-N 3.09Å
94	E	81.6	Confident	79.5	Confident	176 Å²	176	69 Å²	69	82%	0.822	36%	0.36	S	S	*	.	H	α-helix	trans	-56.4	-36.6	-178.6	-174.3	176.1	-173.2	0	0	112.2	T97 L98	E94-T97 WeakPolarHBondContact O-CB 3.25Å; E94-T97 PolarHBondContact O-N 3.2Å; E94-L98 PolarHBondContact O-N 3.44Å
95	Y	80.2	Confident	79.8	Confident	35 Å²	35	67.2 Å²	67.2	14%	0.137	35%	0.35	C	S	.	.	H	α-helix	trans	-71.4	-43.6	179.4	-179.4	-87.6	0	0	0	112.3	D93 T97 L98 M99 E172 D173 G176	D93-Y95 PolarHBondContact O-N 2.99Å; D93-Y95 PolarHBondContact OD1-N 3.06Å; Y95-T97 PolarHBondContact O-N 3.43Å; Y95-L98 WeakPolarHBondContact O-CB 3.45Å; Y95-L98 PolarHBondContact O-N 3.26Å; Y95-L98 VanDerWaalsContact O-N 3.14Å; Y95-M99 HydrophobicContact CD1-CG 4.01Å; Y95-M99 HydrophobicContact CE1-CE 4.42Å; Y95-M99 HydrophobicContact CE1-CG 3.48Å; Y95-M99 VanDerWaalsContact CE1-CG 3.48Å; Y95-M99 HydrophobicContact CE1-SD 4.17Å; Y95-M99 HydrophobicContact CE2-CE 3.88Å; Y95-M99 WeakPolarHBondContact O-CG 3.16Å; Y95-M99 PolarHBondContact O-N 3.3Å; Y95-E172 HydrophobicContact CE2-CB 4.37Å; Y95-E172 PolarHBondContact OH-O 2.61Å; Y95-D173 VanDerWaalsContact OH-CA 3.3Å; Y95-D173 WeakPolarHBondContact OH-CA 3.41Å; Y95-D173 PolarHBondContact OH-N 3.33Å; Y95-G176 VanDerWaalsContact CE2-CA 3.47Å
96	S	77.3	Confident	80.2	Confident	3 Å²	3	63 Å²	63	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-60.2	-32.1	173.1	69.1	0	0	0	0	111.6	V92 D93 T100	V92-S96 PolarHBondContact N-OG 2.86Å; D93-S96 PolarHBondContact N-OG 3.47Å; D93-S96 PolarHBondContact O-N 2.99Å; D93-S96 PolarHBondContact O-OG 3.31Å; D93-S96 WeakPolarHBondContact OD1-CB 3.34Å; D93-S96 PolarHBondContact OD1-N 3.49Å; D93-S96 PolarHBondContact OD1-OG 2.91Å; S96-T100 VanDerWaalsContact O-CB 3.31Å; S96-T100 WeakPolarHBondContact O-CB 3.16Å; S96-T100 PolarHBondContact O-N 3.43Å; S96-T100 PolarHBondContact O-OG1 3.1Å
97	T	82.8	Confident	80.6	Confident	44 Å²	44	57.5 Å²	57.5	27%	0.27	31%	0.305	S	S	.	.	H	α-helix	trans	-67.5	-47.6	172.9	-51.7	0	0	0	0	111.8	Y91 D93 E94 Y95 M99 T100 N101	Y91-T97 VanDerWaalsContact CD1-CA 3.48Å; Y91-T97 HydrophobicContact CD1-CG2 3.76Å; Y91-T97 VanDerWaalsContact CD1-OG1 3.29Å; Y91-T97 WeakPolarHBondContact CD1-OG1 3.41Å; Y91-T97 HydrophobicContact CE1-CG2 3.86Å; D93-T97 PolarHBondContact O-N 3.45Å; D93-T97 PolarHBondContact O-OG1 3.03Å; E94-T97 WeakPolarHBondContact O-CB 3.25Å; E94-T97 PolarHBondContact O-N 3.2Å; Y95-T97 PolarHBondContact O-N 3.43Å; T97-M99 PolarHBondContact O-N 3.25Å; T97-T100 PolarHBondContact O-N 2.83Å; T97-N101 WeakPolarHBondContact O-CB 3.37Å; T97-N101 PolarHBondContact O-N 3.26Å; T97-N101 PolarHBondContact O-ND2 3.24Å
98	L	85.4	Confident	81.5	Confident	78 Å²	78	57.9 Å²	57.9	41%	0.408	32%	0.316	S	S	.	.	H	α-helix	trans	-56.8	-49.4	174.8	-179.7	65.3	0	0	0	111.5	E94 Y95 T100 N101 L102	E94-L98 PolarHBondContact O-N 3.44Å; Y95-L98 WeakPolarHBondContact O-CB 3.45Å; Y95-L98 PolarHBondContact O-N 3.26Å; Y95-L98 VanDerWaalsContact O-N 3.14Å; L98-T100 PolarHBondContact O-N 2.96Å; L98-N101 PolarHBondContact O-N 3.46Å; L98-L102 HydrophobicContact CD1-CD1 4.4Å; L98-L102 HydrophobicContact CG-CD1 4.18Å; L98-L102 WeakPolarHBondContact O-CG 3.3Å; L98-L102 PolarHBondContact O-N 2.88Å
99	M	83.4	Confident	82.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-43.7	-179.2	-69.7	-55.5	99.6	0	0	112.1	Y95 T97 L102 R103 E169 E172 Y181	Y95-M99 HydrophobicContact CD1-CG 4.01Å; Y95-M99 HydrophobicContact CE1-CE 4.42Å; Y95-M99 HydrophobicContact CE1-CG 3.48Å; Y95-M99 VanDerWaalsContact CE1-CG 3.48Å; Y95-M99 HydrophobicContact CE1-SD 4.17Å; Y95-M99 HydrophobicContact CE2-CE 3.88Å; Y95-M99 WeakPolarHBondContact O-CG 3.16Å; Y95-M99 PolarHBondContact O-N 3.3Å; T97-M99 PolarHBondContact O-N 3.25Å; M99-L102 HydrophobicContact CE-CD1 3.8Å; M99-L102 PolarHBondContact O-N 3.43Å; M99-R103 WeakPolarHBondContact O-CG 3.19Å; M99-R103 PolarHBondContact O-N 3.48Å; M99-R103 VanDerWaalsContact O-N 3.11Å; M99-E169 HydrophobicContact SD-CG 4.11Å; M99-E172 HydrophobicContact CE-CB 3.16Å; M99-E172 HydrophobicContact CE-CG 3.69Å; M99-E172 HydrophobicContact SD-CB 3.83Å; M99-Y181 HydrophobicContact CB-CD2 4.16Å; M99-Y181 HydrophobicContact CB-CE2 3.72Å; M99-Y181 HydrophobicContact CG-CD2 4.15Å; M99-Y181 HydrophobicContact CG-CE2 3.85Å
100	T	84.7	Confident	84.4	Confident	21 Å²	21	51.1 Å²	51.1	13%	0.129	27%	0.273	C	S	.	.	H	α-helix	trans	-66.5	-40.1	179.1	-58.8	0	0	0	0	111.4	Y91 S96 T97 L98 R103 L104	Y91-T100 HydrophobicContact CE1-CG2 3.79Å; S96-T100 VanDerWaalsContact O-CB 3.31Å; S96-T100 WeakPolarHBondContact O-CB 3.16Å; S96-T100 PolarHBondContact O-N 3.43Å; S96-T100 PolarHBondContact O-OG1 3.1Å; T97-T100 PolarHBondContact O-N 2.83Å; L98-T100 PolarHBondContact O-N 2.96Å; T100-R103 PolarHBondContact O-N 3.29Å; T100-L104 WeakPolarHBondContact O-CB 3.46Å; T100-L104 PolarHBondContact O-N 3.48Å
101	N	88	Confident	86	Confident	78 Å²	78	50.5 Å²	50.5	42%	0.417	27%	0.269	S	S	.	.	H	α-helix	trans	-66.4	-40.1	176.4	-74	-21	0	0	0	112.3	T97 L98 L104 A105	T97-N101 WeakPolarHBondContact O-CB 3.37Å; T97-N101 PolarHBondContact O-N 3.26Å; T97-N101 PolarHBondContact O-ND2 3.24Å; L98-N101 PolarHBondContact O-N 3.46Å; N101-L104 PolarHBondContact O-N 3.07Å; N101-A105 VanDerWaalsContact O-CB 3.27Å; N101-A105 WeakPolarHBondContact O-CB 3.32Å; N101-A105 PolarHBondContact O-N 3.38Å
102	L	89.5	Confident	87.7	Confident	29 Å²	29	48.1 Å²	48.1	15%	0.152	26%	0.264	C	S	.	.	H	α-helix	trans	-60.1	-46.9	174.7	-76.6	169.4	0	0	0	111.2	L98 M99 L104 A105 E106 V168 E172	L98-L102 HydrophobicContact CD1-CD1 4.4Å; L98-L102 HydrophobicContact CG-CD1 4.18Å; L98-L102 WeakPolarHBondContact O-CG 3.3Å; L98-L102 PolarHBondContact O-N 2.88Å; M99-L102 HydrophobicContact CE-CD1 3.8Å; M99-L102 PolarHBondContact O-N 3.43Å; L102-L104 PolarHBondContact O-N 2.94Å; L102-A105 PolarHBondContact O-N 3.23Å; L102-E106 WeakPolarHBondContact O-CB 3.17Å; L102-E106 PolarHBondContact O-N 3.41Å; L102-V168 HydrophobicContact CD1-CG1 4.06Å; L102-V168 HydrophobicContact CD2-CG1 4.1Å; L102-E172 HydrophobicContact CD1-CG 4.47Å
103	R	88.7	Confident	89	Confident	25 Å²	25	43.9 Å²	43.9	9%	0.094	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-43.2	175.7	-71.8	164.7	178.7	179	-8.6	113.2	R87 M99 T100 A105 E106 L107 E169 Y181	R87-R103 VanDerWaalsContact NH2-NH2 3.14Å; M99-R103 WeakPolarHBondContact O-CG 3.19Å; M99-R103 PolarHBondContact O-N 3.48Å; M99-R103 VanDerWaalsContact O-N 3.11Å; T100-R103 PolarHBondContact O-N 3.29Å; R103-A105 VanDerWaalsContact C-N 3.35Å; R103-E106 WeakPolarHBondContact O-CB 3.48Å; R103-E106 PolarHBondContact O-N 2.81Å; R103-L107 WeakPolarHBondContact O-CB 3.35Å; R103-L107 PolarHBondContact O-N 3.34Å; R103-E169 WeakPolarHBondContact CG-OE2 3.33Å; R103-E169 IonicContact CZ-OE1 2.67Å; R103-E169 IonicContact NE-OE1 3.21Å; R103-E169 PolarHBondContact NE-OE1 2.92Å; R103-E169 IonicContact NE-OE2 3.38Å; R103-E169 IonicContact NH2-OE1 3.98Å; R103-E169 PolarHBondContact NH2-OE1 3.41Å; R103-Y181 PolarHBondContact NH2-OH 3.46Å
104	L	89.7	Confident	89.9	Confident	104 Å²	104	43.3 Å²	43.3	55%	0.545	24%	0.235	S	C	.	.	H	α-helix	trans	-67.2	-41	-179.7	-175.1	62.9	0	0	0	110.5	T100 N101 L102 A108	T100-L104 WeakPolarHBondContact O-CB 3.46Å; T100-L104 PolarHBondContact O-N 3.48Å; N101-L104 PolarHBondContact O-N 3.07Å; L102-L104 PolarHBondContact O-N 2.94Å; L104-A108 WeakPolarHBondContact O-CB 3.35Å; L104-A108 PolarHBondContact O-N 2.89Å
105	A	92.8	Very high	90.7	Very high	35 Å²	35	39.7 Å²	39.7	29%	0.289	22%	0.22	S	C	.	.	H	α-helix	trans	-63.1	-42.4	173	0	0	0	0	0	111.3	N101 L102 R103 A108 M109 M165	N101-A105 VanDerWaalsContact O-CB 3.27Å; N101-A105 WeakPolarHBondContact O-CB 3.32Å; N101-A105 PolarHBondContact O-N 3.38Å; L102-A105 PolarHBondContact O-N 3.23Å; R103-A105 VanDerWaalsContact C-N 3.35Å; A105-A108 PolarHBondContact O-N 3.49Å; A105-M109 WeakPolarHBondContact O-CB 3.43Å; A105-M109 VanDerWaalsContact O-CG 3.28Å; A105-M109 WeakPolarHBondContact O-CG 3.34Å; A105-M109 PolarHBondContact O-N 3.04Å; A105-M165 HydrophobicContact CB-CE 4.21Å; A105-M165 HydrophobicContact CB-SD 3.65Å
106	E	93.4	Very high	91.6	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.014	22%	0.222	C	C	.	.	H	α-helix	trans	-58.5	-53.3	176.1	-163.3	-161.8	143.7	0	0	111.2	Y73 L102 R103 A108 M109 H110 S162 M165 F166	Y73-E106 HydrophobicContact CE1-CB 3.96Å; Y73-E106 HydrophobicContact CE1-CG 3.61Å; Y73-E106 WeakPolarHBondContact CE1-OE1 3.32Å; Y73-E106 PolarHBondContact OH-OE1 2.89Å; L102-E106 WeakPolarHBondContact O-CB 3.17Å; L102-E106 PolarHBondContact O-N 3.41Å; R103-E106 WeakPolarHBondContact O-CB 3.48Å; R103-E106 PolarHBondContact O-N 2.81Å; E106-A108 VanDerWaalsContact C-N 3.31Å; E106-A108 PolarHBondContact O-N 3.21Å; E106-M109 PolarHBondContact O-N 3Å; E106-H110 WeakPolarHBondContact O-CB 3.45Å; E106-H110 PolarHBondContact O-N 3.28Å; E106-S162 VanDerWaalsContact CG-O 3.26Å; E106-S162 WeakPolarHBondContact CG-O 3.43Å; E106-S162 WeakPolarHBondContact CG-OG 3.25Å; E106-S162 PolarHBondContact O-OG 3.47Å; E106-M165 HydrophobicContact CB-CB 4.14Å; E106-M165 HydrophobicContact CG-CB 4.2Å; E106-F166 HydrophobicContact CG-CB 4.43Å; E106-F166 WeakPolarHBondContact OE2-CA 3.44Å; E106-F166 WeakPolarHBondContact OE2-CB 3.45Å
107	L	93.7	Very high	92.6	Very high	39 Å²	39	39.6 Å²	39.6	20%	0.204	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-39.8	177.8	179	61.3	0	0	0	111.5	V45 Y73 T74 R103 S111	V45-L107 HydrophobicContact CG1-CD1 3.94Å; Y73-L107 HydrophobicContact CD1-CB 3.79Å; Y73-L107 HydrophobicContact CD1-CD1 4.19Å; Y73-L107 HydrophobicContact CD2-CD1 4.03Å; Y73-L107 HydrophobicContact CE1-CB 4.23Å; Y73-L107 HydrophobicContact CG-CB 4.28Å; Y73-L107 HydrophobicContact CG-CD1 3.88Å; T74-L107 HydrophobicContact CG2-CD2 4.06Å; R103-L107 WeakPolarHBondContact O-CB 3.35Å; R103-L107 PolarHBondContact O-N 3.34Å; L107-S111 VanDerWaalsContact O-CB 3.25Å; L107-S111 WeakPolarHBondContact O-CB 3.49Å; L107-S111 PolarHBondContact O-N 2.97Å; L107-S111 PolarHBondContact O-OG 2.88Å
108	A	95.2	Very high	93.3	Very high	42 Å²	42	39.9 Å²	39.9	35%	0.347	22%	0.224	S	C	.	.	H	α-helix	trans	-64.1	-48.9	177.8	0	0	0	0	0	111.3	L104 A105 E106 H110 S111 I112	L104-A108 WeakPolarHBondContact O-CB 3.35Å; L104-A108 PolarHBondContact O-N 2.89Å; A105-A108 PolarHBondContact O-N 3.49Å; E106-A108 VanDerWaalsContact C-N 3.31Å; E106-A108 PolarHBondContact O-N 3.21Å; A108-H110 VanDerWaalsContact C-N 3.32Å; A108-H110 PolarHBondContact O-N 3.41Å; A108-S111 PolarHBondContact O-N 3.02Å; A108-I112 WeakPolarHBondContact O-CB 3.32Å; A108-I112 WeakPolarHBondContact O-CD1 3.38Å; A108-I112 WeakPolarHBondContact O-CG1 3.33Å; A108-I112 PolarHBondContact O-N 2.79Å
109	M	96.4	Very high	93.9	Very high	48 Å²	48	41.2 Å²	41.2	24%	0.236	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-41.7	178.5	-68.9	-58.4	-69.1	0	0	111.6	A105 E106 A113 C158 M165	A105-M109 WeakPolarHBondContact O-CB 3.43Å; A105-M109 VanDerWaalsContact O-CG 3.28Å; A105-M109 WeakPolarHBondContact O-CG 3.34Å; A105-M109 PolarHBondContact O-N 3.04Å; E106-M109 PolarHBondContact O-N 3Å; M109-A113 WeakPolarHBondContact O-CB 3.42Å; M109-A113 PolarHBondContact O-N 3.2Å; M109-C158 HydrophobicContact CE-CB 3.94Å; M109-M165 HydrophobicContact CG-CE 4.13Å; M109-M165 HydrophobicContact CG-SD 4.18Å
110	H	96.8	Very high	94.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-46.5	175.2	-160.6	159.6	0	0	0	111.7	A41 S44 V45 Y73 E106 A108 A113 I114 L159	A41-H110 PolarHBondContact O-NE2 2.89Å; S44-H110 PolarHBondContact OG-CE1 3.3Å; S44-H110 PolarHBondContact OG-NE2 3.03Å; V45-H110 HydrophobicContact CG2-CB 4.43Å; V45-H110 WeakPolarHBondContact CG2-CE1 3.27Å; V45-H110 WeakPolarHBondContact CG2-ND1 3.48Å; V45-H110 WeakPolarHBondContact CG2-NE2 3.28Å; Y73-H110 AromaticContact CE2-ND1 3.62Å; Y73-H110 AromaticContact CZ-ND1 3.49Å; Y73-H110 PolarHBondContact OH-ND1 3.07Å; E106-H110 WeakPolarHBondContact O-CB 3.45Å; E106-H110 PolarHBondContact O-N 3.28Å; A108-H110 VanDerWaalsContact C-N 3.32Å; A108-H110 PolarHBondContact O-N 3.41Å; H110-A113 WeakPolarHBondContact O-CB 3.31Å; H110-A113 PolarHBondContact O-N 2.86Å; H110-I114 WeakPolarHBondContact O-CG1 3.41Å; H110-I114 PolarHBondContact O-N 2.87Å; H110-I114 VanDerWaalsContact O-N 3.07Å; H110-L159 VanDerWaalsContact CD2-CD2 3.43Å; H110-L159 WeakPolarHBondContact CD2-CD2 3.44Å
111	S	96.2	Very high	95.2	Very high	42 Å²	42	43.2 Å²	43.2	29%	0.294	24%	0.238	S	C	.	.	H	α-helix	trans	-66.1	-41.9	-179.9	-59.4	0	0	0	0	112.1	L107 A108 A113 I114 I115	L107-S111 VanDerWaalsContact O-CB 3.25Å; L107-S111 WeakPolarHBondContact O-CB 3.49Å; L107-S111 PolarHBondContact O-N 2.97Å; L107-S111 PolarHBondContact O-OG 2.88Å; A108-S111 PolarHBondContact O-N 3.02Å; S111-A113 VanDerWaalsContact C-N 3.29Å; S111-A113 PolarHBondContact O-N 2.72Å; S111-I114 PolarHBondContact O-N 3.43Å; S111-I115 VanDerWaalsContact O-CG1 3.32Å; S111-I115 WeakPolarHBondContact O-CG1 3.41Å; S111-I115 PolarHBondContact O-N 2.94Å
112	I	97.3	Very high	95.7	Very high	78 Å²	78	44.9 Å²	44.9	40%	0.4	25%	0.246	S	C	.	.	H	α-helix	trans	-59.2	-44	174.7	-71.7	164.3	0	0	0	109.9	A108 I114 I115 I116	A108-I112 WeakPolarHBondContact O-CB 3.32Å; A108-I112 WeakPolarHBondContact O-CD1 3.38Å; A108-I112 WeakPolarHBondContact O-CG1 3.33Å; A108-I112 PolarHBondContact O-N 2.79Å; I112-I114 PolarHBondContact O-N 2.9Å; I112-I115 PolarHBondContact O-N 2.88Å; I112-I116 HydrophobicContact CG2-CD1 3.76Å; I112-I116 HydrophobicContact CG2-CG1 4.4Å; I112-I116 WeakPolarHBondContact O-CG1 3.4Å; I112-I116 PolarHBondContact O-N 2.75Å
113	A	98	Very high	96	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-45.9	176.7	0	0	0	0	0	112.1	M109 H110 S111 I115 I116 M117 A155 C158 L159	M109-A113 WeakPolarHBondContact O-CB 3.42Å; M109-A113 PolarHBondContact O-N 3.2Å; H110-A113 WeakPolarHBondContact O-CB 3.31Å; H110-A113 PolarHBondContact O-N 2.86Å; S111-A113 VanDerWaalsContact C-N 3.29Å; S111-A113 PolarHBondContact O-N 2.72Å; A113-I115 VanDerWaalsContact C-N 3.33Å; A113-I115 PolarHBondContact O-N 3.33Å; A113-I116 PolarHBondContact O-N 3.31Å; A113-M117 WeakPolarHBondContact O-CB 3.33Å; A113-M117 VanDerWaalsContact O-CG 3.3Å; A113-M117 WeakPolarHBondContact O-CG 3.49Å; A113-M117 PolarHBondContact O-N 2.86Å; A113-A155 HydrophobicContact CB-CB 4.28Å; A113-A155 WeakPolarHBondContact CB-O 3.47Å; A113-C158 HydrophobicContact CB-CB 3.74Å; A113-L159 HydrophobicContact CB-CD2 3.59Å; A113-L159 HydrophobicContact CB-CG 3.63Å
114	I	97.8	Very high	96.3	Very high	29 Å²	29	43.6 Å²	43.6	15%	0.149	25%	0.245	C	C	.	.	H	α-helix	trans	-59	-45.3	177.2	-66.6	167.4	0	0	0	110.7	A41 V45 H110 S111 I112 I116 M117 C118	A41-I114 HydrophobicContact CB-CD1 4.12Å; A41-I114 HydrophobicContact CB-CG1 3.76Å; V45-I114 HydrophobicContact CG2-CD1 3.78Å; H110-I114 WeakPolarHBondContact O-CG1 3.41Å; H110-I114 PolarHBondContact O-N 2.87Å; H110-I114 VanDerWaalsContact O-N 3.07Å; S111-I114 PolarHBondContact O-N 3.43Å; I112-I114 PolarHBondContact O-N 2.9Å; I114-I116 PolarHBondContact O-N 2.95Å; I114-M117 HydrophobicContact CG1-CE 4.15Å; I114-M117 PolarHBondContact O-N 3.48Å; I114-C118 WeakPolarHBondContact O-CB 3.45Å; I114-C118 PolarHBondContact O-N 2.89Å; I114-C118 PolarHBondContact O-SG 3.29Å
115	I	97.9	Very high	96.6	Very high	101 Å²	101	42.2 Å²	42.2	52%	0.518	24%	0.238	S	C	.	.	H	α-helix	trans	-60.4	-47.7	178.6	-66.9	164.1	0	0	0	110.7	S111 I112 A113 M117 C118 I119	S111-I115 VanDerWaalsContact O-CG1 3.32Å; S111-I115 WeakPolarHBondContact O-CG1 3.41Å; S111-I115 PolarHBondContact O-N 2.94Å; I112-I115 PolarHBondContact O-N 2.88Å; A113-I115 VanDerWaalsContact C-N 3.33Å; A113-I115 PolarHBondContact O-N 3.33Å; I115-M117 PolarHBondContact O-N 3.46Å; I115-C118 PolarHBondContact O-N 3.31Å; I115-I119 HydrophobicContact CG2-CD1 3.93Å; I115-I119 WeakPolarHBondContact O-CG1 3.48Å; I115-I119 PolarHBondContact O-N 3.02Å
116	I	98.1	Very high	96.7	Very high	36 Å²	36	42.3 Å²	42.3	19%	0.185	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-45.6	178	-65.5	167.6	0	0	0	110.5	I112 A113 I114 C118 I119 C120 F151 A155	I112-I116 HydrophobicContact CG2-CD1 3.76Å; I112-I116 HydrophobicContact CG2-CG1 4.4Å; I112-I116 WeakPolarHBondContact O-CG1 3.4Å; I112-I116 PolarHBondContact O-N 2.75Å; A113-I116 PolarHBondContact O-N 3.31Å; I114-I116 PolarHBondContact O-N 2.95Å; I116-C118 PolarHBondContact O-N 2.97Å; I116-I119 PolarHBondContact O-N 3.29Å; I116-C120 WeakPolarHBondContact O-CB 3.39Å; I116-C120 PolarHBondContact O-N 3.45Å; I116-C120 PolarHBondContact O-SG 3.11Å; I116-F151 HydrophobicContact CG2-CB 4.05Å; I116-F151 HydrophobicContact CG2-CD1 4.43Å; I116-F151 VanDerWaalsContact CG2-O 3.24Å; I116-F151 WeakPolarHBondContact CG2-O 3.5Å; I116-A155 HydrophobicContact CB-CB 4.04Å; I116-A155 HydrophobicContact CG2-CB 3.88Å
117	M	98.3	Very high	96.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-42.6	178	-71.5	-171.9	-68	0	0	112	L34 A37 I38 A41 A113 I114 I115 C120 F121 A155 L159 C214	L34-M117 HydrophobicContact CD1-CB 4.1Å; L34-M117 HydrophobicContact CD1-CG 4.12Å; L34-M117 HydrophobicContact CD1-SD 4.39Å; A37-M117 HydrophobicContact CB-SD 4.41Å; I38-M117 HydrophobicContact CD1-CB 4.03Å; I38-M117 HydrophobicContact CG1-CB 3.6Å; I38-M117 HydrophobicContact CG1-SD 4.34Å; A41-M117 HydrophobicContact CB-CE 3.81Å; A113-M117 WeakPolarHBondContact O-CB 3.33Å; A113-M117 VanDerWaalsContact O-CG 3.3Å; A113-M117 WeakPolarHBondContact O-CG 3.49Å; A113-M117 PolarHBondContact O-N 2.86Å; I114-M117 HydrophobicContact CG1-CE 4.15Å; I114-M117 PolarHBondContact O-N 3.48Å; I115-M117 PolarHBondContact O-N 3.46Å; M117-C120 PolarHBondContact O-N 2.92Å; M117-F121 WeakPolarHBondContact O-CB 3.39Å; M117-F121 PolarHBondContact O-N 3.49Å; M117-A155 HydrophobicContact CG-CB 3.73Å; M117-L159 HydrophobicContact CE-CD1 4.1Å; M117-L159 HydrophobicContact SD-CD1 4.34Å; M117-C214 HydrophobicContact SD-CB 4.17Å; M117-C214 VanDerWaalsContact SD-SG 3.65Å
118	C	98.1	Very high	96.5	Very high	49 Å²	49	41.4 Å²	41.4	33%	0.331	23%	0.234	S	C	.	.	H	α-helix	trans	-62.3	-42.9	176.3	-73.9	0	0	0	0	112.4	I114 I115 I116 C120 F121 I122	I114-C118 WeakPolarHBondContact O-CB 3.45Å; I114-C118 PolarHBondContact O-N 2.89Å; I114-C118 PolarHBondContact O-SG 3.29Å; I115-C118 PolarHBondContact O-N 3.31Å; I116-C118 PolarHBondContact O-N 2.97Å; C118-C120 VanDerWaalsContact C-N 3.35Å; C118-F121 WeakPolarHBondContact O-CB 3.43Å; C118-F121 PolarHBondContact O-N 3.19Å; C118-I122 WeakPolarHBondContact O-CG1 3.16Å; C118-I122 PolarHBondContact O-N 2.89Å
119	I	98	Very high	96.3	Very high	107 Å²	107	43.6 Å²	43.6	55%	0.549	24%	0.239	S	C	.	.	H	α-helix	trans	-62	-45.2	175.3	-67	166.2	0	0	0	110.2	I115 I116 F121 I122 A123	I115-I119 HydrophobicContact CG2-CD1 3.93Å; I115-I119 WeakPolarHBondContact O-CG1 3.48Å; I115-I119 PolarHBondContact O-N 3.02Å; I116-I119 PolarHBondContact O-N 3.29Å; I119-F121 VanDerWaalsContact C-N 3.31Å; I119-F121 PolarHBondContact O-N 3.42Å; I119-I122 PolarHBondContact O-N 3.38Å; I119-A123 WeakPolarHBondContact O-CB 3.26Å; I119-A123 PolarHBondContact O-N 3.33Å
120	C	97.8	Very high	96	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.034	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-37.4	176.9	-67.6	0	0	0	0	112.3	L34 I116 M117 C118 A123 A124 I148 F151 I152	L34-C120 HydrophobicContact CD2-CB 4.35Å; I116-C120 WeakPolarHBondContact O-CB 3.39Å; I116-C120 PolarHBondContact O-N 3.45Å; I116-C120 PolarHBondContact O-SG 3.11Å; M117-C120 PolarHBondContact O-N 2.92Å; C118-C120 VanDerWaalsContact C-N 3.35Å; C120-A123 PolarHBondContact O-N 3.34Å; C120-A124 VanDerWaalsContact O-CB 3.25Å; C120-A124 WeakPolarHBondContact O-CB 3.36Å; C120-A124 PolarHBondContact O-N 3.34Å; C120-I148 HydrophobicContact CB-CG2 4.31Å; C120-F151 WeakPolarHBondContact SG-CB 3.35Å; C120-I152 HydrophobicContact CB-CD1 4.23Å; C120-I152 HydrophobicContact CB-CG1 3.69Å
121	F	97.8	Very high	95.4	Very high	57 Å²	57	44 Å²	44	25%	0.25	24%	0.243	C	C	.	.	H	α-helix	trans	-63.1	-45.9	176.9	-177.7	-95.7	0	0	0	111.5	F31 L34 A35 I38 M117 C118 I119 A124 L125	F31-F121 HydrophobicContact CD1-CE2 4.35Å; F31-F121 HydrophobicContact CD2-CD2 4.03Å; F31-F121 AromaticContact CD2-CE2 3.89Å; F31-F121 HydrophobicContact CD2-CE2 3.89Å; F31-F121 AromaticContact CE1-CE2 3.79Å; F31-F121 HydrophobicContact CE1-CE2 3.79Å; F31-F121 AromaticContact CE1-CZ 3.92Å; F31-F121 HydrophobicContact CE1-CZ 3.92Å; F31-F121 HydrophobicContact CE2-CD1 4.4Å; F31-F121 AromaticContact CE2-CD2 3.56Å; F31-F121 HydrophobicContact CE2-CD2 3.56Å; F31-F121 HydrophobicContact CE2-CE1 4.18Å; F31-F121 AromaticContact CE2-CE2 3.26Å; F31-F121 HydrophobicContact CE2-CE2 3.26Å; F31-F121 HydrophobicContact CE2-CG 4.13Å; F31-F121 AromaticContact CE2-CZ 3.62Å; F31-F121 HydrophobicContact CE2-CZ 3.62Å; F31-F121 HydrophobicContact CG-CE2 4.41Å; F31-F121 HydrophobicContact CZ-CD2 4.01Å; F31-F121 AromaticContact CZ-CE1 3.95Å; F31-F121 HydrophobicContact CZ-CE1 3.95Å; F31-F121 AromaticContact CZ-CE2 3.21Å; F31-F121 HydrophobicContact CZ-CE2 3.21Å; F31-F121 AromaticContact CZ-CZ 3.19Å; F31-F121 HydrophobicContact CZ-CZ 3.19Å; L34-F121 HydrophobicContact CD2-CB 4.01Å; L34-F121 HydrophobicContact CD2-CD2 4.27Å; L34-F121 HydrophobicContact CG-CD2 4.36Å; A35-F121 HydrophobicContact CB-CD2 4.4Å; A35-F121 HydrophobicContact CB-CE2 3.67Å; A35-F121 HydrophobicContact CB-CZ 4.36Å; I38-F121 HydrophobicContact CD1-CB 3.73Å; I38-F121 HydrophobicContact CD1-CD2 4.19Å; I38-F121 HydrophobicContact CD1-CG 4.07Å; M117-F121 WeakPolarHBondContact O-CB 3.39Å; M117-F121 PolarHBondContact O-N 3.49Å; C118-F121 WeakPolarHBondContact O-CB 3.43Å; C118-F121 PolarHBondContact O-N 3.19Å; I119-F121 VanDerWaalsContact C-N 3.31Å; I119-F121 PolarHBondContact O-N 3.42Å; F121-A124 PolarHBondContact O-N 2.85Å; F121-L125 WeakPolarHBondContact O-CB 3.36Å; F121-L125 PolarHBondContact O-N 3.36Å
122	I	97.4	Very high	94.8	Very high	114 Å²	114	48 Å²	48	59%	0.585	25%	0.253	S	S	*	.	H	α-helix	trans	-63	-43.7	175.4	-64.3	166.4	0	0	0	110.6	C118 I119 L125 A126	C118-I122 WeakPolarHBondContact O-CG1 3.16Å; C118-I122 PolarHBondContact O-N 2.89Å; I119-I122 PolarHBondContact O-N 3.38Å; I122-L125 PolarHBondContact O-N 2.95Å; I122-A126 WeakPolarHBondContact O-CB 3.46Å; I122-A126 PolarHBondContact O-N 3.35Å
123	A	96.1	Very high	94.2	Very high	26 Å²	26	52.7 Å²	52.7	22%	0.215	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-41.9	177.4	0	0	0	0	0	112.3	I119 C120 A126 L127 W144 I148	I119-A123 WeakPolarHBondContact O-CB 3.26Å; I119-A123 PolarHBondContact O-N 3.33Å; C120-A123 PolarHBondContact O-N 3.34Å; A123-A126 PolarHBondContact O-N 2.81Å; A123-L127 WeakPolarHBondContact O-CB 3.27Å; A123-L127 PolarHBondContact O-N 2.86Å; A123-W144 WeakPolarHBondContact O-CZ2 3.29Å; A123-I148 HydrophobicContact CB-CD1 4.13Å; A123-I148 HydrophobicContact CB-CG1 4.1Å
124	A	95.3	Very high	93.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.6	-40.1	176.4	0	0	0	0	0	111.9	F31 C120 F121 L127 I128 I148 F221	F31-A124 HydrophobicContact CD2-CB 3.87Å; F31-A124 HydrophobicContact CE2-CB 4.4Å; C120-A124 VanDerWaalsContact O-CB 3.25Å; C120-A124 WeakPolarHBondContact O-CB 3.36Å; C120-A124 PolarHBondContact O-N 3.34Å; F121-A124 PolarHBondContact O-N 2.85Å; A124-L127 WeakPolarHBondContact O-CB 3.34Å; A124-L127 PolarHBondContact O-N 2.88Å; A124-I128 VanDerWaalsContact O-CG1 3.25Å; A124-I128 WeakPolarHBondContact O-CG1 3.32Å; A124-I128 PolarHBondContact O-N 3Å; A124-I148 HydrophobicContact CB-CD1 4.21Å; A124-F221 HydrophobicContact CB-CE1 4.23Å; A124-F221 HydrophobicContact CB-CZ 3.9Å
125	L	95.8	Very high	92.2	Very high	75 Å²	75	60.7 Å²	60.7	39%	0.393	31%	0.31	S	S	.	.	H	α-helix	trans	-61.1	-45.5	173.7	-179	60.6	0	0	0	111.2	F31 F121 I122 L127 I128 I129	F31-L125 HydrophobicContact CE2-CB 3.84Å; F31-L125 HydrophobicContact CE2-CD1 4.46Å; F31-L125 HydrophobicContact CZ-CB 4.12Å; F31-L125 HydrophobicContact CZ-CD1 3.96Å; F121-L125 WeakPolarHBondContact O-CB 3.36Å; F121-L125 PolarHBondContact O-N 3.36Å; I122-L125 PolarHBondContact O-N 2.95Å; L125-L127 PolarHBondContact O-N 3.42Å; L125-I128 PolarHBondContact O-N 2.84Å; L125-I129 HydrophobicContact CD1-CD1 4.19Å; L125-I129 HydrophobicContact CD1-CG1 4.49Å; L125-I129 HydrophobicContact CG-CD1 4.03Å; L125-I129 VanDerWaalsContact O-CG1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.34Å; L125-I129 PolarHBondContact O-N 3.39Å
126	A	94.6	Very high	91	Very high	37 Å²	37	64.5 Å²	64.5	31%	0.306	32%	0.318	S	S	.	.	H	α-helix	trans	-61.3	-43.8	176.3	0	0	0	0	0	111.8	I122 A123 I129 V130 W144	I122-A126 WeakPolarHBondContact O-CB 3.46Å; I122-A126 PolarHBondContact O-N 3.35Å; A123-A126 PolarHBondContact O-N 2.81Å; A126-I129 PolarHBondContact O-N 3.4Å; A126-V130 VanDerWaalsContact O-CG2 3.31Å; A126-V130 WeakPolarHBondContact O-CG2 3.4Å; A126-V130 PolarHBondContact O-N 3.3Å; A126-W144 HydrophobicContact CB-CH2 3.89Å; A126-W144 HydrophobicContact CB-CZ2 3.94Å
127	L	92.2	Very high	89.8	Confident	1 Å²	1	64 Å²	64	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-56.8	-50.7	173.9	174.8	75.7	0	0	0	111	A123 A124 L125 I129 V130 W131 F141 W144 R145 I148	A123-L127 WeakPolarHBondContact O-CB 3.27Å; A123-L127 PolarHBondContact O-N 2.86Å; A124-L127 WeakPolarHBondContact O-CB 3.34Å; A124-L127 PolarHBondContact O-N 2.88Å; L125-L127 PolarHBondContact O-N 3.42Å; L127-I129 VanDerWaalsContact C-N 3.35Å; L127-I129 PolarHBondContact O-N 3.31Å; L127-V130 PolarHBondContact O-N 2.88Å; L127-W131 WeakPolarHBondContact O-CB 3.42Å; L127-W131 PolarHBondContact O-N 3.49Å; L127-F141 HydrophobicContact CD1-CB 4.07Å; L127-F141 HydrophobicContact CD1-CD1 3.72Å; L127-F141 HydrophobicContact CD1-CG 4.17Å; L127-W144 HydrophobicContact CB-CD2 4.09Å; L127-W144 HydrophobicContact CB-CE3 4.19Å; L127-W144 HydrophobicContact CB-CH2 4.32Å; L127-W144 HydrophobicContact CB-CZ2 4.23Å; L127-W144 HydrophobicContact CB-CZ3 4.3Å; L127-W144 HydrophobicContact CD1-CB 4.13Å; L127-W144 HydrophobicContact CD1-CD2 3.76Å; L127-W144 HydrophobicContact CD1-CE3 3.51Å; L127-W144 HydrophobicContact CD1-CG 4.06Å; L127-W144 HydrophobicContact CD1-CZ3 4.17Å; L127-W144 HydrophobicContact CG-CD2 4.48Å; L127-W144 HydrophobicContact CG-CE3 4.47Å; L127-R145 HydrophobicContact CD2-CG 3.34Å; L127-I148 HydrophobicContact CD2-CD1 4.31Å
128	I	91.4	Very high	88.9	Confident	22 Å²	22	66.5 Å²	66.5	11%	0.113	33%	0.329	C	S	.	.	H	α-helix	trans	-56.6	-49.6	-179.9	-71	165.7	0	0	0	110	I27 F31 A124 L125 V130 W131 Y132	I27-I128 HydrophobicContact CG2-CD1 4.35Å; I27-I128 HydrophobicContact CG2-CG1 4.02Å; F31-I128 HydrophobicContact CB-CD1 3.87Å; F31-I128 HydrophobicContact CD1-CD1 4.21Å; F31-I128 HydrophobicContact CD2-CD1 3.89Å; F31-I128 HydrophobicContact CE2-CD1 4.47Å; F31-I128 HydrophobicContact CG-CD1 3.72Å; A124-I128 VanDerWaalsContact O-CG1 3.25Å; A124-I128 WeakPolarHBondContact O-CG1 3.32Å; A124-I128 PolarHBondContact O-N 3Å; L125-I128 PolarHBondContact O-N 2.84Å; I128-V130 PolarHBondContact O-N 3.5Å; I128-W131 PolarHBondContact O-N 3.49Å; I128-Y132 HydrophobicContact CG2-CD2 3.7Å; I128-Y132 HydrophobicContact CG2-CE2 3.77Å; I128-Y132 VanDerWaalsContact O-CD2 3.27Å; I128-Y132 WeakPolarHBondContact O-CD2 3.44Å; I128-Y132 PolarHBondContact O-N 2.73Å
129	I	91.4	Very high	88.1	Confident	88 Å²	88	71 Å²	71	45%	0.451	34%	0.343	S	S	.	.	H	α-helix	trans	-60.2	-46.2	-179.2	-67	165.4	0	0	0	111.7	L125 A126 L127 K133	L125-I129 HydrophobicContact CD1-CD1 4.19Å; L125-I129 HydrophobicContact CD1-CG1 4.49Å; L125-I129 HydrophobicContact CG-CD1 4.03Å; L125-I129 VanDerWaalsContact O-CG1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.34Å; L125-I129 PolarHBondContact O-N 3.39Å; A126-I129 PolarHBondContact O-N 3.4Å; L127-I129 VanDerWaalsContact C-N 3.35Å; L127-I129 PolarHBondContact O-N 3.31Å; I129-K133 PolarHBondContact O-N 2.87Å
130	V	89.2	Confident	87.5	Confident	53 Å²	53	69.8 Å²	69.8	32%	0.321	34%	0.343	S	S	.	.	H	α-helix	trans	-70.4	-39.9	-178.3	176.9	0	0	0	0	111	A126 L127 I128 K133 Q134 F141	A126-V130 VanDerWaalsContact O-CG2 3.31Å; A126-V130 WeakPolarHBondContact O-CG2 3.4Å; A126-V130 PolarHBondContact O-N 3.3Å; L127-V130 PolarHBondContact O-N 2.88Å; I128-V130 PolarHBondContact O-N 3.5Å; V130-K133 PolarHBondContact O-N 2.87Å; V130-Q134 PolarHBondContact O-N 2.88Å; V130-Q134 VanDerWaalsContact O-N 3.17Å; V130-F141 HydrophobicContact CB-CE1 4.48Å; V130-F141 HydrophobicContact CG1-CE1 3.76Å; V130-F141 HydrophobicContact CG1-CZ 3.79Å
131	W	85.2	Confident	87	Confident	4 Å²	4	69.9 Å²	69.9	2%	0.015	34%	0.343	C	S	.	.	H	α-helix	trans	-66.1	-40.5	-179.1	-172.5	30.8	0	0	0	112.2	L20 T23 R24 I27 L127 I128 K133 Q134 N135 R136 F141	L20-W131 HydrophobicContact CD1-CZ2 3.89Å; T23-W131 HydrophobicContact CG2-CH2 3.89Å; T23-W131 HydrophobicContact CG2-CZ2 4.38Å; R24-W131 HydrophobicContact CB-CH2 4.09Å; R24-W131 HydrophobicContact CB-CZ3 4.21Å; R24-W131 HydrophobicContact CG-CD2 4.47Å; R24-W131 HydrophobicContact CG-CE3 4.14Å; R24-W131 HydrophobicContact CG-CH2 3.29Å; R24-W131 HydrophobicContact CG-CZ2 3.67Å; R24-W131 HydrophobicContact CG-CZ3 3.55Å; I27-W131 HydrophobicContact CB-CZ3 4.05Å; I27-W131 HydrophobicContact CG1-CH2 4.43Å; I27-W131 HydrophobicContact CG1-CZ3 3.99Å; I27-W131 HydrophobicContact CG2-CZ3 4.26Å; L127-W131 WeakPolarHBondContact O-CB 3.42Å; L127-W131 PolarHBondContact O-N 3.49Å; I128-W131 PolarHBondContact O-N 3.49Å; W131-K133 VanDerWaalsContact C-N 3.25Å; W131-K133 PolarHBondContact O-N 2.91Å; W131-Q134 PolarHBondContact O-N 3.23Å; W131-N135 PolarHBondContact O-N 3.33Å; W131-R136 PolarHBondContact NE1-O 3.06Å; W131-F141 AromaticContact CD1-CD2 3.69Å; W131-F141 AromaticContact CD1-CE2 3.86Å; W131-F141 HydrophobicContact CG-CD2 4.34Å
132	Y	82.2	Confident	86.4	Confident	127 Å²	127	68.2 Å²	68.2	50%	0.498	34%	0.335	S	S	.	.	H	α-helix	trans	-60.9	-33.2	173.2	-93.5	-75.1	0	0	0	112.9	I28 I128	I28-Y132 WeakPolarHBondContact CD1-OH 3.34Å; I128-Y132 HydrophobicContact CG2-CD2 3.7Å; I128-Y132 HydrophobicContact CG2-CE2 3.77Å; I128-Y132 VanDerWaalsContact O-CD2 3.27Å; I128-Y132 WeakPolarHBondContact O-CD2 3.44Å; I128-Y132 PolarHBondContact O-N 2.73Å
133	K	85.1	Confident	86	Confident	175 Å²	175	65.7 Å²	65.7	76%	0.761	32%	0.323	S	S	*	.	H	α-helix	trans	-73.3	-39	177.8	-73	-178.2	177.9	-177	0	113.2	I129 V130 W131	I129-K133 PolarHBondContact O-N 2.87Å; V130-K133 PolarHBondContact O-N 2.87Å; W131-K133 VanDerWaalsContact C-N 3.25Å; W131-K133 PolarHBondContact O-N 2.91Å
134	Q	80.2	Confident	85.8	Confident	97 Å²	97	68 Å²	68	45%	0.453	33%	0.326	S	S	.	.	H	α-helix	trans	-82.8	-23	-176.6	-67.9	-171.1	3.7	0	0	113.2	V130 W131 R136 N138 F141	V130-Q134 PolarHBondContact O-N 2.88Å; V130-Q134 VanDerWaalsContact O-N 3.17Å; W131-Q134 PolarHBondContact O-N 3.23Å; Q134-R136 PolarHBondContact O-N 3.44Å; Q134-N138 PolarHBondContact OE1-ND2 3.42Å; Q134-F141 HydrophobicContact CB-CE2 4.25Å; Q134-F141 HydrophobicContact CB-CZ 4.41Å; Q134-F141 HydrophobicContact CG-CZ 4.27Å
135	N	74.6	Confident	85.6	Confident	100 Å²	100	68.1 Å²	68.1	54%	0.535	33%	0.326	S	S	.	.			trans	50.5	25.4	-177.7	-159.6	33.4	0	0	0	114.8	R24 W131	R24-N135 VanDerWaalsContact CZ-OD1 3.27Å; R24-N135 PolarHBondContact NH1-OD1 3.02Å; R24-N135 PolarHBondContact NH2-OD1 3.06Å; W131-N135 PolarHBondContact O-N 3.33Å
136	R	72.3	Confident	85.5	Confident	182 Å²	182	66.5 Å²	66.5	69%	0.687	32%	0.318	S	S	*	.	S	Bend	trans	-135.1	146.9	176.6	-65.2	-175.9	-176.8	-170.5	-1.6	109.1	W131 Q134 F141	W131-R136 PolarHBondContact NE1-O 3.06Å; Q134-R136 PolarHBondContact O-N 3.44Å; R136-F141 WeakPolarHBondContact O-CD2 3.45Å; R136-F141 WeakPolarHBondContact O-CE2 3.26Å
137	D	73	Confident	85.5	Confident	26 Å²	26	69 Å²	69	14%	0.139	33%	0.326	C	S	.	.			trans	-97	124	169.8	-158.4	-6.9	0	0	0	108.4	L20 R145	L20-D137 HydrophobicContact CD1-CB 3.93Å; D137-R145 IonicContact OD1-CZ 3.66Å; D137-R145 IonicContact OD1-NH2 2.95Å; D137-R145 PolarHBondContact OD1-NH2 3.26Å; D137-R145 IonicContact OD2-CZ 3.91Å; D137-R145 IonicContact OD2-NH1 2.67Å; D137-R145 IonicContact OD2-NH2 2.67Å; D137-R145 PolarHBondContact OD2-NH2 3.01Å
138	N	78.8	Confident	85.7	Confident	52 Å²	52	69.2 Å²	69.2	28%	0.278	33%	0.326	S	S	.	.			trans	-122.1	164.3	-178.8	63.9	26.2	0	0	0	109.7	Q134 C140 F141 R142	Q134-N138 PolarHBondContact OE1-ND2 3.42Å; N138-C140 PolarHBondContact O-N 3.39Å; N138-C140 WeakPolarHBondContact OD1-CA 3.48Å; N138-C140 VanDerWaalsContact OD1-CB 3.3Å; N138-C140 WeakPolarHBondContact OD1-CB 3.35Å; N138-C140 PolarHBondContact OD1-N 3.44Å; N138-F141 PolarHBondContact O-N 3.43Å; N138-F141 VanDerWaalsContact O-N 3.08Å; N138-F141 VanDerWaalsContact OD1-CD2 3.25Å; N138-F141 WeakPolarHBondContact OD1-CD2 3.26Å; N138-F141 VanDerWaalsContact OD1-CG 3.23Å; N138-F141 WeakPolarHBondContact OD1-CG 3.46Å; N138-F141 PolarHBondContact OD1-N 3.05Å; N138-R142 PolarHBondContact O-N 3.22Å; N138-R142 VanDerWaalsContact O-N 3.07Å
139	K	81.9	Confident	85.9	Confident	144 Å²	144	68.1 Å²	68.1	63%	0.626	32%	0.321	S	S	*	.	H	α-helix	trans	-54.6	-30.4	178	-170.3	174.1	-178.4	175	0	112.7	N143	K139-N143 WeakPolarHBondContact O-CB 3.34Å; K139-N143 PolarHBondContact O-N 2.95Å; K139-N143 PolarHBondContact O-OD1 3.22Å
140	C	85.8	Confident	86.2	Confident	81 Å²	81	67.8 Å²	67.8	55%	0.547	32%	0.319	S	S	.	.	H	α-helix	trans	-65.4	-48.6	176.6	-172.1	0	0	0	0	112.1	N138 R142 N143 W144	N138-C140 PolarHBondContact O-N 3.39Å; N138-C140 WeakPolarHBondContact OD1-CA 3.48Å; N138-C140 VanDerWaalsContact OD1-CB 3.3Å; N138-C140 WeakPolarHBondContact OD1-CB 3.35Å; N138-C140 PolarHBondContact OD1-N 3.44Å; C140-R142 PolarHBondContact O-N 2.93Å; C140-N143 PolarHBondContact O-N 3.44Å; C140-W144 WeakPolarHBondContact O-CB 3.46Å; C140-W144 PolarHBondContact O-N 3.24Å
141	F	86.7	Confident	86.6	Confident	7 Å²	7	70.1 Å²	70.1	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-65.7	-37.2	176.9	-63	-33.4	0	0	0	112.5	L127 V130 W131 Q134 R136 N138 W144 R145	L127-F141 HydrophobicContact CD1-CB 4.07Å; L127-F141 HydrophobicContact CD1-CD1 3.72Å; L127-F141 HydrophobicContact CD1-CG 4.17Å; V130-F141 HydrophobicContact CB-CE1 4.48Å; V130-F141 HydrophobicContact CG1-CE1 3.76Å; V130-F141 HydrophobicContact CG1-CZ 3.79Å; W131-F141 AromaticContact CD1-CD2 3.69Å; W131-F141 AromaticContact CD1-CE2 3.86Å; W131-F141 HydrophobicContact CG-CD2 4.34Å; Q134-F141 HydrophobicContact CB-CE2 4.25Å; Q134-F141 HydrophobicContact CB-CZ 4.41Å; Q134-F141 HydrophobicContact CG-CZ 4.27Å; R136-F141 WeakPolarHBondContact O-CD2 3.45Å; R136-F141 WeakPolarHBondContact O-CE2 3.26Å; N138-F141 PolarHBondContact O-N 3.43Å; N138-F141 VanDerWaalsContact O-N 3.08Å; N138-F141 VanDerWaalsContact OD1-CD2 3.25Å; N138-F141 WeakPolarHBondContact OD1-CD2 3.26Å; N138-F141 VanDerWaalsContact OD1-CG 3.23Å; N138-F141 WeakPolarHBondContact OD1-CG 3.46Å; N138-F141 PolarHBondContact OD1-N 3.05Å; F141-W144 HydrophobicContact CD1-CE3 4.34Å; F141-W144 PolarHBondContact O-N 2.9Å; F141-R145 WeakPolarHBondContact O-CG 3.36Å; F141-R145 PolarHBondContact O-N 3.31Å; F141-R145 PolarHBondContact O-NE 3.13Å
142	R	85	Confident	87.2	Confident	22 Å²	22	69.9 Å²	69.9	8%	0.083	32%	0.324	C	S	.	.	H	α-helix	trans	-57.8	-52.7	170.4	-70.6	-178.9	66.6	-147.7	-9.2	111.2	N138 C140 W144 R145 L146 Y225 T229	N138-R142 PolarHBondContact O-N 3.22Å; N138-R142 VanDerWaalsContact O-N 3.07Å; C140-R142 PolarHBondContact O-N 2.93Å; R142-W144 VanDerWaalsContact C-N 3.31Å; R142-W144 PolarHBondContact O-N 2.93Å; R142-R145 VanDerWaalsContact CG-NH2 3.26Å; R142-R145 PolarHBondContact O-N 3.14Å; R142-L146 PolarHBondContact O-N 3.32Å; R142-Y225 HydrophobicContact CB-CD2 3.97Å; R142-Y225 HydrophobicContact CB-CE2 4.2Å; R142-Y225 PolarHBondContact NH2-O 3.3Å; R142-Y225 WeakPolarHBondContact O-CD2 3.34Å; R142-T229 PolarHBondContact NE-OG1 2.92Å; R142-T229 VanDerWaalsContact NE-OG1 3.12Å
143	N	89.3	Confident	87.9	Confident	60 Å²	60	65.2 Å²	65.2	32%	0.321	31%	0.307	S	S	.	.	H	α-helix	trans	-61.9	-38.6	178.2	-72.1	-7.1	0	0	0	112.4	K139 C140 L146 I147	K139-N143 WeakPolarHBondContact O-CB 3.34Å; K139-N143 PolarHBondContact O-N 2.95Å; K139-N143 PolarHBondContact O-OD1 3.22Å; C140-N143 PolarHBondContact O-N 3.44Å; N143-L146 WeakPolarHBondContact O-CB 3.31Å; N143-L146 PolarHBondContact O-N 3.3Å; N143-I147 VanDerWaalsContact O-CG1 3.29Å; N143-I147 WeakPolarHBondContact O-CG1 3.35Å; N143-I147 PolarHBondContact O-N 2.76Å
144	W	91.9	Very high	88.6	Confident	76 Å²	76	60.8 Å²	60.8	29%	0.288	29%	0.292	S	S	.	.	H	α-helix	trans	-62.6	-44.8	177.4	-167.5	-4.8	0	0	0	111.4	A123 A126 L127 C140 F141 R142 L146 I147 I148	A123-W144 WeakPolarHBondContact O-CZ2 3.29Å; A126-W144 HydrophobicContact CB-CH2 3.89Å; A126-W144 HydrophobicContact CB-CZ2 3.94Å; L127-W144 HydrophobicContact CB-CD2 4.09Å; L127-W144 HydrophobicContact CB-CE3 4.19Å; L127-W144 HydrophobicContact CB-CH2 4.32Å; L127-W144 HydrophobicContact CB-CZ2 4.23Å; L127-W144 HydrophobicContact CB-CZ3 4.3Å; L127-W144 HydrophobicContact CD1-CB 4.13Å; L127-W144 HydrophobicContact CD1-CD2 3.76Å; L127-W144 HydrophobicContact CD1-CE3 3.51Å; L127-W144 HydrophobicContact CD1-CG 4.06Å; L127-W144 HydrophobicContact CD1-CZ3 4.17Å; L127-W144 HydrophobicContact CG-CD2 4.48Å; L127-W144 HydrophobicContact CG-CE3 4.47Å; C140-W144 WeakPolarHBondContact O-CB 3.46Å; C140-W144 PolarHBondContact O-N 3.24Å; F141-W144 HydrophobicContact CD1-CE3 4.34Å; F141-W144 PolarHBondContact O-N 2.9Å; R142-W144 VanDerWaalsContact C-N 3.31Å; R142-W144 PolarHBondContact O-N 2.93Å; W144-L146 PolarHBondContact O-N 3Å; W144-I147 PolarHBondContact O-N 3.45Å; W144-I148 HydrophobicContact CG-CD1 4.36Å; W144-I148 WeakPolarHBondContact O-CG1 3.44Å; W144-I148 PolarHBondContact O-N 2.93Å
145	R	92	Very high	89.4	Confident	1 Å²	1	56.2 Å²	56.2	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-42.6	174.4	-72.7	-179.8	-72	-175.4	-1.3	112.9	I27 L127 D137 F141 R142 I147 I148 G149 F221	I27-R145 HydrophobicContact CD1-CG 3.95Å; L127-R145 HydrophobicContact CD2-CG 3.34Å; D137-R145 IonicContact OD1-CZ 3.66Å; D137-R145 IonicContact OD1-NH2 2.95Å; D137-R145 PolarHBondContact OD1-NH2 3.26Å; D137-R145 IonicContact OD2-CZ 3.91Å; D137-R145 IonicContact OD2-NH1 2.67Å; D137-R145 IonicContact OD2-NH2 2.67Å; D137-R145 PolarHBondContact OD2-NH2 3.01Å; F141-R145 WeakPolarHBondContact O-CG 3.36Å; F141-R145 PolarHBondContact O-N 3.31Å; F141-R145 PolarHBondContact O-NE 3.13Å; R142-R145 VanDerWaalsContact CG-NH2 3.26Å; R142-R145 PolarHBondContact O-N 3.14Å; R145-I147 PolarHBondContact O-N 2.95Å; R145-I148 PolarHBondContact O-N 3.33Å; R145-G149 PolarHBondContact O-N 2.68Å; R145-F221 HydrophobicContact CG-CD1 4.45Å
146	L	92.6	Very high	90.5	Very high	42 Å²	42	51.4 Å²	51.4	22%	0.22	25%	0.245	C	C	.	.	H	α-helix	trans	-58.3	-48.8	176	178.2	67.7	0	0	0	111	R142 N143 W144 I148 G149 I150 L222 Y225	R142-L146 PolarHBondContact O-N 3.32Å; N143-L146 WeakPolarHBondContact O-CB 3.31Å; N143-L146 PolarHBondContact O-N 3.3Å; W144-L146 PolarHBondContact O-N 3Å; L146-I148 PolarHBondContact O-N 3.18Å; L146-G149 PolarHBondContact O-N 3.39Å; L146-I150 HydrophobicContact CD1-CD1 4.26Å; L146-I150 HydrophobicContact CG-CD1 4.01Å; L146-I150 WeakPolarHBondContact O-CG1 3.44Å; L146-I150 PolarHBondContact O-N 3.22Å; L146-L222 HydrophobicContact CD1-CD2 3.8Å; L146-Y225 HydrophobicContact CB-CD1 4.5Å; L146-Y225 HydrophobicContact CB-CD2 3.81Å; L146-Y225 HydrophobicContact CB-CE2 4.29Å; L146-Y225 HydrophobicContact CB-CG 3.92Å; L146-Y225 HydrophobicContact CD1-CD1 3.87Å; L146-Y225 HydrophobicContact CD1-CE1 4.38Å; L146-Y225 HydrophobicContact CD1-CG 4.03Å; L146-Y225 HydrophobicContact CD2-CD1 4.17Å; L146-Y225 HydrophobicContact CD2-CD2 4.27Å; L146-Y225 HydrophobicContact CD2-CE1 3.93Å; L146-Y225 HydrophobicContact CD2-CE2 4.02Å; L146-Y225 HydrophobicContact CD2-CG 4.34Å; L146-Y225 HydrophobicContact CG-CD1 4.41Å; L146-Y225 HydrophobicContact CG-CD2 4.47Å; L146-Y225 HydrophobicContact CG-CG 4.32Å
147	I	95.1	Very high	91.7	Very high	90 Å²	90	48.1 Å²	48.1	46%	0.462	24%	0.235	S	C	.	.	H	α-helix	trans	-59.5	-48	178.8	-68.5	166.3	0	0	0	110.4	N143 W144 R145 G149 I150 F151	N143-I147 VanDerWaalsContact O-CG1 3.29Å; N143-I147 WeakPolarHBondContact O-CG1 3.35Å; N143-I147 PolarHBondContact O-N 2.76Å; W144-I147 PolarHBondContact O-N 3.45Å; R145-I147 PolarHBondContact O-N 2.95Å; I147-G149 VanDerWaalsContact C-N 3.34Å; I147-G149 PolarHBondContact O-N 3.38Å; I147-I150 PolarHBondContact O-N 3.04Å; I147-F151 HydrophobicContact CG2-CD2 3.73Å; I147-F151 HydrophobicContact CG2-CE2 3.66Å; I147-F151 VanDerWaalsContact O-CD2 3.25Å; I147-F151 WeakPolarHBondContact O-CD2 2.97Å; I147-F151 PolarHBondContact O-N 3.28Å; I147-F151 VanDerWaalsContact O-N 3.08Å
148	I	96.1	Very high	92.9	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-56.3	-49.3	175.8	-70.7	165.4	0	0	0	110.3	C120 A123 A124 L127 W144 R145 L146 I150 F151 I152 F221	C120-I148 HydrophobicContact CB-CG2 4.31Å; A123-I148 HydrophobicContact CB-CD1 4.13Å; A123-I148 HydrophobicContact CB-CG1 4.1Å; A124-I148 HydrophobicContact CB-CD1 4.21Å; L127-I148 HydrophobicContact CD2-CD1 4.31Å; W144-I148 HydrophobicContact CG-CD1 4.36Å; W144-I148 WeakPolarHBondContact O-CG1 3.44Å; W144-I148 PolarHBondContact O-N 2.93Å; R145-I148 PolarHBondContact O-N 3.33Å; L146-I148 PolarHBondContact O-N 3.18Å; I148-I150 VanDerWaalsContact C-N 3.33Å; I148-I150 PolarHBondContact O-N 2.91Å; I148-F151 PolarHBondContact O-N 2.78Å; I148-I152 HydrophobicContact CG2-CD1 3.54Å; I148-I152 HydrophobicContact CG2-CG1 4.22Å; I148-I152 VanDerWaalsContact O-CG1 3.28Å; I148-I152 WeakPolarHBondContact O-CG1 3.08Å; I148-I152 PolarHBondContact O-N 2.94Å; I148-F221 HydrophobicContact CB-CD1 4.48Å; I148-F221 HydrophobicContact CG2-CD1 3.96Å; I148-F221 HydrophobicContact CG2-CD2 4.24Å; I148-F221 HydrophobicContact CG2-CE1 4.13Å; I148-F221 HydrophobicContact CG2-CE2 4.42Å; I148-F221 HydrophobicContact CG2-CG 4.04Å; I148-F221 HydrophobicContact CG2-CZ 4.37Å
149	G	96	Very high	93.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.9	-40.7	179.5	0	0	0	0	0	113.4	R145 L146 I147 I152 M153	R145-G149 PolarHBondContact O-N 2.68Å; L146-G149 PolarHBondContact O-N 3.39Å; I147-G149 VanDerWaalsContact C-N 3.34Å; I147-G149 PolarHBondContact O-N 3.38Å; G149-I152 PolarHBondContact O-N 3.43Å; G149-M153 WeakPolarHBondContact O-CB 3.33Å; G149-M153 PolarHBondContact O-N 3.11Å
150	I	96.8	Very high	94.6	Very high	80 Å²	80	41 Å²	41	41%	0.41	20%	0.203	S	C	.	.	H	α-helix	trans	-63	-46.5	176.2	-68.5	166.7	0	0	0	110.8	L146 I147 I148 M153 L154 L222	L146-I150 HydrophobicContact CD1-CD1 4.26Å; L146-I150 HydrophobicContact CG-CD1 4.01Å; L146-I150 WeakPolarHBondContact O-CG1 3.44Å; L146-I150 PolarHBondContact O-N 3.22Å; I147-I150 PolarHBondContact O-N 3.04Å; I148-I150 VanDerWaalsContact C-N 3.33Å; I148-I150 PolarHBondContact O-N 2.91Å; I150-M153 WeakPolarHBondContact O-CB 3.38Å; I150-M153 PolarHBondContact O-N 3.38Å; I150-L154 HydrophobicContact CG2-CD1 4.42Å; I150-L154 WeakPolarHBondContact O-CG 3.31Å; I150-L154 PolarHBondContact O-N 3.46Å; I150-L222 HydrophobicContact CG1-CD2 4Å
151	F	98.1	Very high	95.1	Very high	102 Å²	102	39 Å²	39	45%	0.447	19%	0.191	S	C	.	.	H	α-helix	trans	-67.3	-38.3	179.4	-80.8	-73.1	0	0	0	112.5	I116 C120 I147 I148 M153 L154 A155	I116-F151 HydrophobicContact CG2-CB 4.05Å; I116-F151 HydrophobicContact CG2-CD1 4.43Å; I116-F151 VanDerWaalsContact CG2-O 3.24Å; I116-F151 WeakPolarHBondContact CG2-O 3.5Å; C120-F151 WeakPolarHBondContact SG-CB 3.35Å; I147-F151 HydrophobicContact CG2-CD2 3.73Å; I147-F151 HydrophobicContact CG2-CE2 3.66Å; I147-F151 VanDerWaalsContact O-CD2 3.25Å; I147-F151 WeakPolarHBondContact O-CD2 2.97Å; I147-F151 PolarHBondContact O-N 3.28Å; I147-F151 VanDerWaalsContact O-N 3.08Å; I148-F151 PolarHBondContact O-N 2.78Å; F151-M153 VanDerWaalsContact C-N 3.32Å; F151-M153 PolarHBondContact O-N 3.03Å; F151-L154 HydrophobicContact CD1-CD1 4.35Å; F151-L154 PolarHBondContact O-N 2.89Å; F151-A155 PolarHBondContact O-N 3.39Å
152	I	98	Very high	95.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-40.3	173.2	-59.8	167.5	0	0	0	110.2	L34 C120 I148 G149 L154 A155 G156 C214 A217 A218 F221	L34-I152 HydrophobicContact CD1-CD1 4.33Å; L34-I152 HydrophobicContact CD1-CG1 4.37Å; L34-I152 HydrophobicContact CD1-CG2 4.26Å; L34-I152 HydrophobicContact CD2-CD1 3.89Å; L34-I152 HydrophobicContact CD2-CG1 4.45Å; C120-I152 HydrophobicContact CB-CD1 4.23Å; C120-I152 HydrophobicContact CB-CG1 3.69Å; I148-I152 HydrophobicContact CG2-CD1 3.54Å; I148-I152 HydrophobicContact CG2-CG1 4.22Å; I148-I152 VanDerWaalsContact O-CG1 3.28Å; I148-I152 WeakPolarHBondContact O-CG1 3.08Å; I148-I152 PolarHBondContact O-N 2.94Å; G149-I152 PolarHBondContact O-N 3.43Å; I152-L154 VanDerWaalsContact C-N 3.35Å; I152-L154 PolarHBondContact O-N 3.32Å; I152-A155 WeakPolarHBondContact O-CB 3.34Å; I152-A155 PolarHBondContact O-N 2.99Å; I152-A155 VanDerWaalsContact O-N 3.16Å; I152-G156 PolarHBondContact O-N 2.95Å; I152-C214 WeakPolarHBondContact CG2-O 3.29Å; I152-C214 PolarHBondContact O-SG 3.41Å; I152-A217 HydrophobicContact CG2-CB 4.43Å; I152-A218 HydrophobicContact CB-CB 3.98Å; I152-A218 HydrophobicContact CG2-CB 3.76Å; I152-F221 HydrophobicContact CD1-CD2 3.6Å; I152-F221 HydrophobicContact CD1-CE2 3.92Å; I152-F221 HydrophobicContact CD1-CG 4.37Å
153	M	97.8	Very high	96.1	Very high	28 Å²	28	37.8 Å²	37.8	14%	0.138	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-44.1	175.3	-174.8	65.4	71.1	0	0	111.8	G149 I150 F151 A155 G156 F157 F215 A218 W219 L222	G149-M153 WeakPolarHBondContact O-CB 3.33Å; G149-M153 PolarHBondContact O-N 3.11Å; I150-M153 WeakPolarHBondContact O-CB 3.38Å; I150-M153 PolarHBondContact O-N 3.38Å; F151-M153 VanDerWaalsContact C-N 3.32Å; F151-M153 PolarHBondContact O-N 3.03Å; M153-A155 VanDerWaalsContact C-N 3.33Å; M153-A155 PolarHBondContact O-N 2.92Å; M153-G156 PolarHBondContact O-N 3.47Å; M153-F157 HydrophobicContact CG-CD2 4.17Å; M153-F157 HydrophobicContact CG-CE2 3.63Å; M153-F157 HydrophobicContact CG-CZ 4.37Å; M153-F157 VanDerWaalsContact O-CD2 3.25Å; M153-F157 WeakPolarHBondContact O-CD2 3.49Å; M153-F157 PolarHBondContact O-N 2.68Å; M153-F157 HydrophobicContact SD-CE2 4.04Å; M153-F157 HydrophobicContact SD-CZ 4.23Å; M153-F215 HydrophobicContact CE-CD1 4.48Å; M153-F215 HydrophobicContact SD-CD1 3.53Å; M153-F215 VanDerWaalsContact SD-CD1 3.53Å; M153-F215 HydrophobicContact SD-CE1 3.55Å; M153-F215 VanDerWaalsContact SD-CE1 3.55Å; M153-A218 HydrophobicContact CB-CB 4.09Å; M153-A218 HydrophobicContact CE-CB 3.98Å; M153-W219 HydrophobicContact CE-CD2 4.31Å; M153-W219 HydrophobicContact CE-CZ2 4.32Å; M153-L222 HydrophobicContact CE-CD1 3.65Å
154	L	97.9	Very high	96.4	Very high	83 Å²	83	39.3 Å²	39.3	44%	0.435	19%	0.193	S	C	.	.	H	α-helix	trans	-60.8	-41.4	174	-70.2	173.2	0	0	0	111.9	I150 F151 I152 G156 F157 C158	I150-L154 HydrophobicContact CG2-CD1 4.42Å; I150-L154 WeakPolarHBondContact O-CG 3.31Å; I150-L154 PolarHBondContact O-N 3.46Å; F151-L154 HydrophobicContact CD1-CD1 4.35Å; F151-L154 PolarHBondContact O-N 2.89Å; I152-L154 VanDerWaalsContact C-N 3.35Å; I152-L154 PolarHBondContact O-N 3.32Å; L154-G156 VanDerWaalsContact C-N 3.33Å; L154-G156 PolarHBondContact O-N 2.94Å; L154-F157 PolarHBondContact O-N 3.19Å; L154-C158 PolarHBondContact O-N 3.44Å; L154-C158 PolarHBondContact O-SG 3.27Å; L154-C158 VanDerWaalsContact O-SG 3.39Å
155	A	98.2	Very high	96.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-40.6	174.2	0	0	0	0	0	112.1	A113 I116 M117 F151 I152 M153 F157 C158 L159	A113-A155 HydrophobicContact CB-CB 4.28Å; A113-A155 WeakPolarHBondContact CB-O 3.47Å; I116-A155 HydrophobicContact CB-CB 4.04Å; I116-A155 HydrophobicContact CG2-CB 3.88Å; M117-A155 HydrophobicContact CG-CB 3.73Å; F151-A155 PolarHBondContact O-N 3.39Å; I152-A155 WeakPolarHBondContact O-CB 3.34Å; I152-A155 PolarHBondContact O-N 2.99Å; I152-A155 VanDerWaalsContact O-N 3.16Å; M153-A155 VanDerWaalsContact C-N 3.33Å; M153-A155 PolarHBondContact O-N 2.92Å; A155-F157 VanDerWaalsContact C-N 3.34Å; A155-F157 PolarHBondContact O-N 2.85Å; A155-C158 WeakPolarHBondContact O-CB 3.37Å; A155-C158 PolarHBondContact O-N 3.23Å; A155-C158 VanDerWaalsContact O-N 3.11Å; A155-L159 PolarHBondContact O-N 3.3Å
156	G	98	Very high	96.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-43.4	173.7	0	0	0	0	0	112.4	I152 M153 L154 C158 L159 Q160 F215	I152-G156 PolarHBondContact O-N 2.95Å; M153-G156 PolarHBondContact O-N 3.47Å; L154-G156 VanDerWaalsContact C-N 3.33Å; L154-G156 PolarHBondContact O-N 2.94Å; G156-C158 VanDerWaalsContact C-N 3.32Å; G156-C158 PolarHBondContact O-N 3.37Å; G156-L159 PolarHBondContact O-N 2.82Å; G156-Q160 WeakPolarHBondContact O-CB 3.27Å; G156-Q160 PolarHBondContact O-N 3.47Å; G156-F215 WeakPolarHBondContact O-CZ 3.46Å
157	F	98	Very high	96.5	Very high	112 Å²	112	39.4 Å²	39.4	49%	0.491	20%	0.197	S	C	.	.	H	α-helix	trans	-64.9	-34.1	173.6	-70.8	-55	0	0	0	113.1	M153 L154 A155 Q160 S161 F215	M153-F157 HydrophobicContact CG-CD2 4.17Å; M153-F157 HydrophobicContact CG-CE2 3.63Å; M153-F157 HydrophobicContact CG-CZ 4.37Å; M153-F157 VanDerWaalsContact O-CD2 3.25Å; M153-F157 WeakPolarHBondContact O-CD2 3.49Å; M153-F157 PolarHBondContact O-N 2.68Å; M153-F157 HydrophobicContact SD-CE2 4.04Å; M153-F157 HydrophobicContact SD-CZ 4.23Å; L154-F157 PolarHBondContact O-N 3.19Å; A155-F157 VanDerWaalsContact C-N 3.34Å; A155-F157 PolarHBondContact O-N 2.85Å; F157-Q160 PolarHBondContact O-N 3.25Å; F157-S161 WeakPolarHBondContact O-CB 3.42Å; F157-S161 PolarHBondContact O-N 3.25Å; F157-S161 PolarHBondContact O-OG 2.86Å; F157-F215 HydrophobicContact CD1-CE1 4.33Å; F157-F215 HydrophobicContact CD1-CZ 4.09Å; F157-F215 HydrophobicContact CE1-CE1 4.31Å; F157-F215 HydrophobicContact CE1-CZ 4.32Å
158	C	98.1	Very high	96.3	Very high	19 Å²	19	37.9 Å²	37.9	13%	0.128	19%	0.191	C	C	.	.	H	α-helix	trans	-65.6	-44.1	173.6	-69.9	0	0	0	0	112.1	M109 A113 L154 A155 G156 S161 S162	M109-C158 HydrophobicContact CE-CB 3.94Å; A113-C158 HydrophobicContact CB-CB 3.74Å; L154-C158 PolarHBondContact O-N 3.44Å; L154-C158 PolarHBondContact O-SG 3.27Å; L154-C158 VanDerWaalsContact O-SG 3.39Å; A155-C158 WeakPolarHBondContact O-CB 3.37Å; A155-C158 PolarHBondContact O-N 3.23Å; A155-C158 VanDerWaalsContact O-N 3.11Å; G156-C158 VanDerWaalsContact C-N 3.32Å; G156-C158 PolarHBondContact O-N 3.37Å; C158-S161 PolarHBondContact O-N 3.04Å; C158-S162 PolarHBondContact O-N 3.16Å
159	L	97.7	Very high	95.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-43.7	173.8	-65.3	174.6	0	0	0	111.6	H110 A113 M117 A155 G156 S161 S162 I163 L207 T211 C214	H110-L159 VanDerWaalsContact CD2-CD2 3.43Å; H110-L159 WeakPolarHBondContact CD2-CD2 3.44Å; A113-L159 HydrophobicContact CB-CD2 3.59Å; A113-L159 HydrophobicContact CB-CG 3.63Å; M117-L159 HydrophobicContact CE-CD1 4.1Å; M117-L159 HydrophobicContact SD-CD1 4.34Å; A155-L159 PolarHBondContact O-N 3.3Å; G156-L159 PolarHBondContact O-N 2.82Å; L159-S161 VanDerWaalsContact C-N 3.3Å; L159-S161 PolarHBondContact O-N 3.26Å; L159-S162 WeakPolarHBondContact O-CB 3.46Å; L159-S162 PolarHBondContact O-N 3.41Å; L159-I163 WeakPolarHBondContact O-CG1 3.26Å; L159-I163 PolarHBondContact O-N 3.18Å; L159-L207 HydrophobicContact CB-CD1 4.32Å; L159-L207 HydrophobicContact CD2-CD1 3.91Å; L159-T211 HydrophobicContact CB-CG2 4.16Å; L159-T211 WeakPolarHBondContact CB-OG1 3.21Å; L159-C214 HydrophobicContact CD1-CB 4.09Å
160	Q	97.1	Very high	95.4	Very high	53 Å²	53	39.6 Å²	39.6	25%	0.248	20%	0.199	C	C	.	.	H	α-helix	trans	-61.3	-39.8	176	-170.8	65.9	34.7	0	0	111.7	G156 F157 I163 I164 T211	G156-Q160 WeakPolarHBondContact O-CB 3.27Å; G156-Q160 PolarHBondContact O-N 3.47Å; F157-Q160 PolarHBondContact O-N 3.25Å; Q160-I163 PolarHBondContact O-N 2.85Å; Q160-I164 HydrophobicContact CG-CD1 4.34Å; Q160-I164 WeakPolarHBondContact O-CG1 3.23Å; Q160-I164 PolarHBondContact O-N 2.8Å; Q160-T211 HydrophobicContact CB-CG2 4.46Å
161	S	96.9	Very high	95	Very high	41 Å²	41	41.5 Å²	41.5	29%	0.287	21%	0.205	S	C	.	.	H	α-helix	trans	-65	-39.4	176	-58.9	0	0	0	0	111.7	F157 C158 L159 I164 M165	F157-S161 WeakPolarHBondContact O-CB 3.42Å; F157-S161 PolarHBondContact O-N 3.25Å; F157-S161 PolarHBondContact O-OG 2.86Å; C158-S161 PolarHBondContact O-N 3.04Å; L159-S161 VanDerWaalsContact C-N 3.3Å; L159-S161 PolarHBondContact O-N 3.26Å; S161-I164 PolarHBondContact O-N 3.44Å; S161-M165 WeakPolarHBondContact O-CG 3.4Å; S161-M165 PolarHBondContact O-N 3.27Å
162	S	95.9	Very high	94.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.7	-47.6	171.7	165.2	0	0	0	0	111.1	Y73 E106 C158 L159 I164 M165 F166	Y73-S162 PolarHBondContact OH-OG 3.44Å; E106-S162 VanDerWaalsContact CG-O 3.26Å; E106-S162 WeakPolarHBondContact CG-O 3.43Å; E106-S162 WeakPolarHBondContact CG-OG 3.25Å; E106-S162 PolarHBondContact O-OG 3.47Å; C158-S162 PolarHBondContact O-N 3.16Å; L159-S162 WeakPolarHBondContact O-CB 3.46Å; L159-S162 PolarHBondContact O-N 3.41Å; S162-I164 VanDerWaalsContact C-N 3.31Å; S162-I164 PolarHBondContact O-N 2.94Å; S162-M165 PolarHBondContact O-N 3.24Å; S162-F166 PolarHBondContact O-N 2.68Å
163	I	96	Very high	93.4	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-58.4	-42.3	175.4	-65.8	166.6	0	0	0	111.8	L159 Q160 F166 H167 Y204 L207 W208 T211	L159-I163 WeakPolarHBondContact O-CG1 3.26Å; L159-I163 PolarHBondContact O-N 3.18Å; Q160-I163 PolarHBondContact O-N 2.85Å; I163-F166 WeakPolarHBondContact O-CB 3.2Å; I163-F166 PolarHBondContact O-N 2.93Å; I163-H167 PolarHBondContact O-CD2 3.32Å; I163-H167 PolarHBondContact O-N 2.85Å; I163-H167 VanDerWaalsContact O-N 3.12Å; I163-Y204 HydrophobicContact CG2-CE2 4.45Å; I163-L207 HydrophobicContact CD1-CD1 4.49Å; I163-L207 HydrophobicContact CD1-CG 4.02Å; I163-L207 HydrophobicContact CG1-CD1 4.29Å; I163-L207 HydrophobicContact CG1-CD2 3.61Å; I163-L207 HydrophobicContact CG1-CG 3.65Å; I163-W208 HydrophobicContact CD1-CD2 3.76Å; I163-W208 HydrophobicContact CD1-CE3 3.9Å; I163-W208 HydrophobicContact CD1-CG 4.21Å; I163-W208 HydrophobicContact CD1-CH2 4.43Å; I163-W208 HydrophobicContact CD1-CZ2 4.31Å; I163-W208 HydrophobicContact CD1-CZ3 4.22Å; I163-W208 HydrophobicContact CG2-CH2 4.14Å; I163-W208 HydrophobicContact CG2-CZ2 3.46Å; I163-W208 VanDerWaalsContact CG2-CZ2 3.46Å; I163-T211 HydrophobicContact CD1-CG2 4.34Å; I163-T211 WeakPolarHBondContact CD1-OG1 3.27Å
164	I	95.9	Very high	92.5	Very high	92 Å²	92	44 Å²	44	47%	0.472	22%	0.217	S	C	.	.	H	α-helix	trans	-64.6	-45.8	178.3	-67.6	164.6	0	0	0	110.8	Q160 S161 S162 F166 H167 V168	Q160-I164 HydrophobicContact CG-CD1 4.34Å; Q160-I164 WeakPolarHBondContact O-CG1 3.23Å; Q160-I164 PolarHBondContact O-N 2.8Å; S161-I164 PolarHBondContact O-N 3.44Å; S162-I164 VanDerWaalsContact C-N 3.31Å; S162-I164 PolarHBondContact O-N 2.94Å; I164-F166 VanDerWaalsContact C-N 3.29Å; I164-F166 PolarHBondContact O-N 3.26Å; I164-H167 PolarHBondContact O-N 3.21Å; I164-H167 VanDerWaalsContact O-N 3.13Å; I164-V168 HydrophobicContact CG2-CG2 4.46Å; I164-V168 WeakPolarHBondContact O-CG2 3.25Å; I164-V168 PolarHBondContact O-N 3.27Å
165	M	93.6	Very high	91.4	Very high	53 Å²	53	46.9 Å²	46.9	26%	0.261	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-39.2	177.8	-72.5	176.4	-177.8	0	0	112	A105 E106 M109 S161 S162 H167 V168 E169	A105-M165 HydrophobicContact CB-CE 4.21Å; A105-M165 HydrophobicContact CB-SD 3.65Å; E106-M165 HydrophobicContact CB-CB 4.14Å; E106-M165 HydrophobicContact CG-CB 4.2Å; M109-M165 HydrophobicContact CG-CE 4.13Å; M109-M165 HydrophobicContact CG-SD 4.18Å; S161-M165 WeakPolarHBondContact O-CG 3.4Å; S161-M165 PolarHBondContact O-N 3.27Å; S162-M165 PolarHBondContact O-N 3.24Å; M165-H167 PolarHBondContact O-N 3.16Å; M165-V168 PolarHBondContact O-N 3.46Å; M165-E169 PolarHBondContact O-N 3.49Å
166	F	92.6	Very high	90	Very high	5 Å²	5	47.5 Å²	47.5	2%	0.022	23%	0.229	C	C	.	.	H	α-helix	trans	-57.4	-47.8	172.2	173.3	-106	0	0	0	111.8	F50 V51 E106 S162 I163 I164 V168 E169 Q170 Y200 Y204	F50-F166 HydrophobicContact CB-CE2 3.9Å; F50-F166 HydrophobicContact CB-CZ 4.26Å; F50-F166 HydrophobicContact CD1-CD2 4.08Å; F50-F166 AromaticContact CD1-CE2 3.99Å; F50-F166 HydrophobicContact CD1-CE2 3.99Å; F50-F166 HydrophobicContact CD1-CZ 4.44Å; F50-F166 HydrophobicContact CG-CE2 4.43Å; V51-F166 HydrophobicContact CG2-CE2 3.72Å; V51-F166 HydrophobicContact CG2-CZ 3.45Å; V51-F166 VanDerWaalsContact CG2-CZ 3.45Å; E106-F166 HydrophobicContact CG-CB 4.43Å; E106-F166 WeakPolarHBondContact OE2-CA 3.44Å; E106-F166 WeakPolarHBondContact OE2-CB 3.45Å; S162-F166 PolarHBondContact O-N 2.68Å; I163-F166 WeakPolarHBondContact O-CB 3.2Å; I163-F166 PolarHBondContact O-N 2.93Å; I164-F166 VanDerWaalsContact C-N 3.29Å; I164-F166 PolarHBondContact O-N 3.26Å; F166-V168 VanDerWaalsContact C-N 3.31Å; F166-V168 PolarHBondContact O-N 2.89Å; F166-E169 WeakPolarHBondContact O-CB 3.39Å; F166-E169 PolarHBondContact O-N 3.13Å; F166-Q170 HydrophobicContact CD1-CG 4.44Å; F166-Q170 HydrophobicContact CE1-CG 4.06Å; F166-Q170 HydrophobicContact CE2-CG 4.1Å; F166-Q170 HydrophobicContact CZ-CG 3.88Å; F166-Q170 WeakPolarHBondContact O-CG 3.27Å; F166-Q170 PolarHBondContact O-N 3.24Å; F166-Y200 AromaticContact CE1-CD1 3.87Å; F166-Y200 HydrophobicContact CE1-CD1 3.87Å; F166-Y200 AromaticContact CE1-CE1 3.64Å; F166-Y200 HydrophobicContact CE1-CE1 3.64Å; F166-Y200 HydrophobicContact CZ-CD1 4.11Å; F166-Y200 HydrophobicContact CZ-CE1 4.12Å; F166-Y204 AromaticContact CD1-CD2 3.76Å; F166-Y204 HydrophobicContact CD1-CD2 3.76Å; F166-Y204 AromaticContact CD1-CE2 3.6Å; F166-Y204 HydrophobicContact CD1-CE2 3.6Å; F166-Y204 AromaticContact CE1-CD2 3.48Å; F166-Y204 HydrophobicContact CE1-CD2 3.48Å; F166-Y204 VanDerWaalsContact CE1-CD2 3.48Å; F166-Y204 AromaticContact CE1-CE2 3.53Å; F166-Y204 HydrophobicContact CE1-CE2 3.53Å; F166-Y204 HydrophobicContact CE1-CG 4.33Å; F166-Y204 HydrophobicContact CZ-CD2 4.19Å
167	H	92.5	Very high	88.4	Confident	64 Å²	64	55.5 Å²	55.5	30%	0.296	26%	0.264	S	S	.	.	H	α-helix	trans	-64.1	-36	176.8	-79.8	-66.2	0	0	0	112.8	I163 I164 M165 Q170 F171 Y200 Y204	I163-H167 PolarHBondContact O-CD2 3.32Å; I163-H167 PolarHBondContact O-N 2.85Å; I163-H167 VanDerWaalsContact O-N 3.12Å; I164-H167 PolarHBondContact O-N 3.21Å; I164-H167 VanDerWaalsContact O-N 3.13Å; M165-H167 PolarHBondContact O-N 3.16Å; H167-Q170 PolarHBondContact O-N 3.43Å; H167-F171 WeakPolarHBondContact O-CB 3.49Å; H167-F171 PolarHBondContact O-N 3.14Å; H167-Y200 AromaticContact CE1-CZ 3.94Å; H167-Y200 PolarHBondContact CE1-OH 3.33Å; H167-Y204 PolarHBondContact CE1-OH 3.28Å; H167-Y204 VanDerWaalsContact CE1-OH 3.24Å; H167-Y204 AromaticContact NE2-CE2 3.83Å; H167-Y204 AromaticContact NE2-CZ 3.71Å; H167-Y204 PolarHBondContact NE2-OH 2.74Å
168	V	91.5	Very high	87	Confident	58 Å²	58	50.6 Å²	50.6	35%	0.352	24%	0.243	S	C	.	.	H	α-helix	trans	-64.3	-44	173.1	175	0	0	0	0	110.5	L102 I164 M165 F166 Q170 F171 E172	L102-V168 HydrophobicContact CD1-CG1 4.06Å; L102-V168 HydrophobicContact CD2-CG1 4.1Å; I164-V168 HydrophobicContact CG2-CG2 4.46Å; I164-V168 WeakPolarHBondContact O-CG2 3.25Å; I164-V168 PolarHBondContact O-N 3.27Å; M165-V168 PolarHBondContact O-N 3.46Å; F166-V168 VanDerWaalsContact C-N 3.31Å; F166-V168 PolarHBondContact O-N 2.89Å; V168-Q170 PolarHBondContact O-N 3.22Å; V168-F171 PolarHBondContact O-N 3.43Å; V168-E172 HydrophobicContact CG1-CG 4.4Å; V168-E172 WeakPolarHBondContact O-CB 3.39Å; V168-E172 WeakPolarHBondContact O-CG 3.47Å; V168-E172 PolarHBondContact O-N 2.93Å
169	E	87.4	Confident	85.4	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.009	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-46.9	173.4	-175.1	-163.6	155.7	0	0	111.1	R87 M99 R103 M165 F166 F171 E172 D173	R87-E169 IonicContact NH1-OE1 2.78Å; R87-E169 PolarHBondContact NH1-OE1 3.12Å; M99-E169 HydrophobicContact SD-CG 4.11Å; R103-E169 WeakPolarHBondContact CG-OE2 3.33Å; R103-E169 IonicContact CZ-OE1 2.67Å; R103-E169 IonicContact NE-OE1 3.21Å; R103-E169 PolarHBondContact NE-OE1 2.92Å; R103-E169 IonicContact NE-OE2 3.38Å; R103-E169 IonicContact NH2-OE1 3.98Å; R103-E169 PolarHBondContact NH2-OE1 3.41Å; M165-E169 PolarHBondContact O-N 3.49Å; F166-E169 WeakPolarHBondContact O-CB 3.39Å; F166-E169 PolarHBondContact O-N 3.13Å; E169-F171 VanDerWaalsContact C-N 3.32Å; E169-F171 PolarHBondContact O-N 2.83Å; E169-E172 PolarHBondContact O-N 3.44Å; E169-D173 WeakPolarHBondContact O-CB 3.35Å; E169-D173 PolarHBondContact O-N 2.76Å
170	Q	86.3	Confident	83.9	Confident	37 Å²	37	55.2 Å²	55.2	17%	0.173	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-36.4	178.9	-64.8	-47.2	-63.1	0	0	112.5	F166 H167 V168 K174	F166-Q170 HydrophobicContact CD1-CG 4.44Å; F166-Q170 HydrophobicContact CE1-CG 4.06Å; F166-Q170 HydrophobicContact CE2-CG 4.1Å; F166-Q170 HydrophobicContact CZ-CG 3.88Å; F166-Q170 WeakPolarHBondContact O-CG 3.27Å; F166-Q170 PolarHBondContact O-N 3.24Å; H167-Q170 PolarHBondContact O-N 3.43Å; V168-Q170 PolarHBondContact O-N 3.22Å; Q170-K174 PolarHBondContact O-N 3.38Å
171	F	86.7	Confident	82.5	Confident	120 Å²	120	53.6 Å²	53.6	53%	0.526	27%	0.27	S	S	.	.	H	α-helix	trans	-64.5	-50.8	175.6	179.2	-90.3	0	0	0	110.7	H167 V168 E169 D173 K174 Y175	H167-F171 WeakPolarHBondContact O-CB 3.49Å; H167-F171 PolarHBondContact O-N 3.14Å; V168-F171 PolarHBondContact O-N 3.43Å; E169-F171 VanDerWaalsContact C-N 3.32Å; E169-F171 PolarHBondContact O-N 2.83Å; F171-D173 PolarHBondContact O-N 2.97Å; F171-K174 WeakPolarHBondContact O-CB 3.44Å; F171-K174 PolarHBondContact O-N 2.78Å; F171-Y175 HydrophobicContact CD1-CD2 4.15Å; F171-Y175 HydrophobicContact CD2-CD2 4.09Å; F171-Y175 AromaticContact CD2-CE2 3.75Å; F171-Y175 HydrophobicContact CD2-CE2 3.75Å; F171-Y175 AromaticContact CE1-CD2 3.84Å; F171-Y175 HydrophobicContact CE1-CD2 3.84Å; F171-Y175 HydrophobicContact CE1-CE2 4.25Å; F171-Y175 AromaticContact CE2-CD2 3.8Å; F171-Y175 HydrophobicContact CE2-CD2 3.8Å; F171-Y175 AromaticContact CE2-CE2 3.35Å; F171-Y175 HydrophobicContact CE2-CE2 3.35Å; F171-Y175 HydrophobicContact CG-CD2 4.26Å; F171-Y175 HydrophobicContact CG-CE2 4.37Å; F171-Y175 AromaticContact CZ-CD2 3.66Å; F171-Y175 HydrophobicContact CZ-CD2 3.66Å; F171-Y175 AromaticContact CZ-CE2 3.62Å; F171-Y175 HydrophobicContact CZ-CE2 3.62Å; F171-Y175 WeakPolarHBondContact O-CD2 3.48Å; F171-Y175 PolarHBondContact O-N 3.09Å
172	E	84.7	Confident	80.8	Confident	59 Å²	59	54.6 Å²	54.6	28%	0.276	28%	0.276	S	S	.	.	H	α-helix	trans	-60.2	-46.3	177.2	-70	-64.9	145.2	0	0	110.6	Y95 M99 L102 V168 E169 K174 Y175 G176	Y95-E172 HydrophobicContact CE2-CB 4.37Å; Y95-E172 PolarHBondContact OH-O 2.61Å; M99-E172 HydrophobicContact CE-CB 3.16Å; M99-E172 HydrophobicContact CE-CG 3.69Å; M99-E172 HydrophobicContact SD-CB 3.83Å; L102-E172 HydrophobicContact CD1-CG 4.47Å; V168-E172 HydrophobicContact CG1-CG 4.4Å; V168-E172 WeakPolarHBondContact O-CB 3.39Å; V168-E172 WeakPolarHBondContact O-CG 3.47Å; V168-E172 PolarHBondContact O-N 2.93Å; E169-E172 PolarHBondContact O-N 3.44Å; E172-K174 PolarHBondContact O-N 3.24Å; E172-K174 VanDerWaalsContact O-N 3.07Å; E172-Y175 PolarHBondContact O-N 2.82Å; E172-G176 PolarHBondContact O-N 3.44Å
173	D	79.1	Confident	79.5	Confident	18 Å²	18	56.7 Å²	56.7	10%	0.096	28%	0.284	C	S	.	.	H	α-helix	trans	-53.1	-35.9	178.1	-168.3	64.3	0	0	0	113.2	Y95 E169 F171 Y181 G184 F185	Y95-D173 VanDerWaalsContact OH-CA 3.3Å; Y95-D173 WeakPolarHBondContact OH-CA 3.41Å; Y95-D173 PolarHBondContact OH-N 3.33Å; E169-D173 WeakPolarHBondContact O-CB 3.35Å; E169-D173 PolarHBondContact O-N 2.76Å; F171-D173 PolarHBondContact O-N 2.97Å; D173-Y181 WeakPolarHBondContact OD1-CE1 3.38Å; D173-Y181 PolarHBondContact OD1-OH 3.32Å; D173-G184 WeakPolarHBondContact OD1-CA 3.42Å; D173-F185 WeakPolarHBondContact O-CB 3.37Å; D173-F185 PolarHBondContact O-N 3.06Å; D173-F185 PolarHBondContact OD2-N 2.71Å
174	K	78.2	Confident	78.2	Confident	107 Å²	107	56.8 Å²	56.8	47%	0.465	29%	0.285	S	S	.	.	H	α-helix	trans	-70.4	-32.8	177.8	-171.1	176	179.2	178.6	0	113.4	Q170 F171 E172 F185 N186	Q170-K174 PolarHBondContact O-N 3.38Å; F171-K174 WeakPolarHBondContact O-CB 3.44Å; F171-K174 PolarHBondContact O-N 2.78Å; E172-K174 PolarHBondContact O-N 3.24Å; E172-K174 VanDerWaalsContact O-N 3.07Å; K174-F185 HydrophobicContact CG-CD1 4.17Å; K174-F185 HydrophobicContact CG-CE1 4.49Å; K174-N186 PolarHBondContact O-ND2 2.93Å
175	Y	75.3	Confident	77	Confident	142 Å²	142	54.1 Å²	54.1	56%	0.557	27%	0.271	S	S	*	.	H	α-helix	trans	-112.3	-20.8	-171.6	-65.8	-69.4	0	0	0	114.9	F171 E172 N186	F171-Y175 HydrophobicContact CD1-CD2 4.15Å; F171-Y175 HydrophobicContact CD2-CD2 4.09Å; F171-Y175 AromaticContact CD2-CE2 3.75Å; F171-Y175 HydrophobicContact CD2-CE2 3.75Å; F171-Y175 AromaticContact CE1-CD2 3.84Å; F171-Y175 HydrophobicContact CE1-CD2 3.84Å; F171-Y175 HydrophobicContact CE1-CE2 4.25Å; F171-Y175 AromaticContact CE2-CD2 3.8Å; F171-Y175 HydrophobicContact CE2-CD2 3.8Å; F171-Y175 AromaticContact CE2-CE2 3.35Å; F171-Y175 HydrophobicContact CE2-CE2 3.35Å; F171-Y175 HydrophobicContact CG-CD2 4.26Å; F171-Y175 HydrophobicContact CG-CE2 4.37Å; F171-Y175 AromaticContact CZ-CD2 3.66Å; F171-Y175 HydrophobicContact CZ-CD2 3.66Å; F171-Y175 AromaticContact CZ-CE2 3.62Å; F171-Y175 HydrophobicContact CZ-CE2 3.62Å; F171-Y175 WeakPolarHBondContact O-CD2 3.48Å; F171-Y175 PolarHBondContact O-N 3.09Å; E172-Y175 PolarHBondContact O-N 2.82Å; Y175-N186 VanDerWaalsContact CA-ND2 3.27Å; Y175-N186 WeakPolarHBondContact CA-ND2 3.4Å; Y175-N186 PolarHBondContact N-ND2 3.22Å; Y175-N186 PolarHBondContact O-ND2 3.11Å; Y175-N186 VanDerWaalsContact O-ND2 3.14Å
176	G	68.6	Low	75.9	Confident	14 Å²	14	52.9 Å²	52.9	14%	0.144	27%	0.265	C	S	.	.			trans	-81.5	139.9	179	0	0	0	0	0	112.7	Y95 E172 N186	Y95-G176 VanDerWaalsContact CE2-CA 3.47Å; E172-G176 PolarHBondContact O-N 3.44Å; G176-N186 PolarHBondContact N-ND2 3.29Å; G176-N186 VanDerWaalsContact O-CB 3.29Å; G176-N186 WeakPolarHBondContact O-CB 3.4Å; G176-N186 PolarHBondContact O-ND2 3.05Å
177	K	65	Low	74.8	Confident	168 Å²	168	56.2 Å²	56.2	73%	0.73	28%	0.28	S	S	*	.			trans	-119.4	112.2	174.7	-171.8	179.2	-178.9	-179.8	0	109	N186	K177-N186 HydrophobicContact CB-CB 4.09Å; K177-N186 HydrophobicContact CG-CB 4.32Å
178	S	67.2	Low	73.9	Confident	8 Å²	8	53.4 Å²	53.4	6%	0.056	27%	0.267	C	S	.	.			trans	-142.2	129.4	-176.3	154.4	0	0	0	0	110.9	D93 G180 Y181 Q187	D93-S178 PolarHBondContact OD1-OG 3.47Å; D93-S178 WeakPolarHBondContact OD2-CB 3.4Å; D93-S178 PolarHBondContact OD2-OG 2.9Å; S178-G180 PolarHBondContact O-N 3.08Å; S178-G180 PolarHBondContact OG-N 3.1Å; S178-G180 VanDerWaalsContact OG-N 3.14Å; S178-Y181 PolarHBondContact O-N 2.99Å; S178-Q187 PolarHBondContact O-NE2 3.48Å
179	S	66.2	Low	73.2	Confident	101 Å²	101	52.5 Å²	52.5	71%	0.706	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.1	174	44.8	0	0	0	0	112.4	D93 Y181	D93-S179 PolarHBondContact OD2-N 3.47Å; S179-Y181 PolarHBondContact O-N 3.38Å
180	G	64.8	Low	72.8	Confident	16 Å²	16	60.2 Å²	60.2	17%	0.165	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.6	173.6	0	0	0	0	0	115.1	V92 D93 S178 P182	V92-G180 VanDerWaalsContact CB-CA 3.48Å; D93-G180 PolarHBondContact OD2-N 3.04Å; D93-G180 VanDerWaalsContact OD2-N 3.09Å; S178-G180 PolarHBondContact O-N 3.08Å; S178-G180 PolarHBondContact OG-N 3.1Å; S178-G180 VanDerWaalsContact OG-N 3.14Å; G180-P182 WeakPolarHBondContact O-CD 3.45Å
181	Y	67.4	Low	72.4	Confident	19 Å²	19	64.7 Å²	64.7	8%	0.075	32%	0.318	C	S	.	.			trans	-128.7	77.7	-171	-156.5	-84.1	0	0	0	110.5	M99 R103 D173 S178 S179 Y183 G184 Q187	M99-Y181 HydrophobicContact CB-CD2 4.16Å; M99-Y181 HydrophobicContact CB-CE2 3.72Å; M99-Y181 HydrophobicContact CG-CD2 4.15Å; M99-Y181 HydrophobicContact CG-CE2 3.85Å; R103-Y181 PolarHBondContact NH2-OH 3.46Å; D173-Y181 WeakPolarHBondContact OD1-CE1 3.38Å; D173-Y181 PolarHBondContact OD1-OH 3.32Å; S178-Y181 PolarHBondContact O-N 2.99Å; S179-Y181 PolarHBondContact O-N 3.38Å; Y181-Y183 PolarHBondContact O-N 3.37Å; Y181-Y183 VanDerWaalsContact O-N 3.08Å; Y181-G184 VanDerWaalsContact CD1-CA 3.48Å; Y181-G184 VanDerWaalsContact CD1-N 3.34Å; Y181-G184 PolarHBondContact O-N 3.47Å; Y181-G184 VanDerWaalsContact O-N 3.15Å; Y181-Q187 WeakPolarHBondContact O-CG 3.09Å
182	P	63	Low	71.9	Confident	61 Å²	61	59 Å²	59	40%	0.396	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.7	-166.7	25.3	-35	0	0	0	114	G180	G180-P182 WeakPolarHBondContact O-CD 3.45Å
183	Y	67	Low	71.6	Confident	45 Å²	45	60.2 Å²	60.2	18%	0.176	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-3.1	-179.1	-58.4	-68	0	0	0	114.3	N64 R69 F78 Y181 W188	N64-Y183 HydrophobicContact CB-CE1 4.01Å; R69-Y183 PolarHBondContact NH2-O 3.44Å; F78-Y183 HydrophobicContact CE1-CE1 4.29Å; F78-Y183 AromaticContact CZ-CE1 3.97Å; F78-Y183 HydrophobicContact CZ-CE1 3.97Å; F78-Y183 AromaticContact CZ-CZ 3.99Å; Y181-Y183 PolarHBondContact O-N 3.37Å; Y181-Y183 VanDerWaalsContact O-N 3.08Å; Y183-W188 PolarHBondContact O-NE1 2.9Å
184	G	70.1	Confident	71.6	Confident	4 Å²	4	64.6 Å²	64.6	4%	0.041	32%	0.323	C	S	.	.	S	Bend	trans	-70.4	148.3	-173	0	0	0	0	0	112.4	D173 Y181 N186 Q187 W188	D173-G184 WeakPolarHBondContact OD1-CA 3.42Å; Y181-G184 VanDerWaalsContact CD1-CA 3.48Å; Y181-G184 VanDerWaalsContact CD1-N 3.34Å; Y181-G184 PolarHBondContact O-N 3.47Å; Y181-G184 VanDerWaalsContact O-N 3.15Å; G184-N186 PolarHBondContact O-N 3.09Å; G184-N186 VanDerWaalsContact O-N 3.1Å; G184-Q187 WeakPolarHBondContact O-CB 3.28Å; G184-Q187 PolarHBondContact O-N 2.83Å; G184-W188 VanDerWaalsContact O-CD1 3.24Å; G184-W188 PolarHBondContact O-NE1 3.4Å
185	F	70.8	Confident	71.7	Confident	36 Å²	36	61.7 Å²	61.7	16%	0.158	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-54.5	-35.8	-172.1	-167.7	-102.4	0	0	0	113.1	D173 K174 Q187 W188 R193 I198	D173-F185 WeakPolarHBondContact O-CB 3.37Å; D173-F185 PolarHBondContact O-N 3.06Å; D173-F185 PolarHBondContact OD2-N 2.71Å; K174-F185 HydrophobicContact CG-CD1 4.17Å; K174-F185 HydrophobicContact CG-CE1 4.49Å; F185-Q187 VanDerWaalsContact C-N 3.26Å; F185-Q187 PolarHBondContact O-N 2.95Å; F185-W188 HydrophobicContact CD2-CD2 4.25Å; F185-W188 AromaticContact CD2-CE3 3.67Å; F185-W188 HydrophobicContact CD2-CE3 3.67Å; F185-W188 AromaticContact CD2-CH2 3.89Å; F185-W188 HydrophobicContact CD2-CH2 3.89Å; F185-W188 HydrophobicContact CD2-CZ2 4.42Å; F185-W188 AromaticContact CD2-CZ3 3.48Å; F185-W188 HydrophobicContact CD2-CZ3 3.48Å; F185-W188 VanDerWaalsContact CD2-CZ3 3.48Å; F185-W188 AromaticContact CE2-CE3 3.87Å; F185-W188 HydrophobicContact CE2-CE3 3.87Å; F185-W188 HydrophobicContact CE2-CH2 4.44Å; F185-W188 AromaticContact CE2-CZ3 3.66Å; F185-W188 HydrophobicContact CE2-CZ3 3.66Å; F185-W188 WeakPolarHBondContact O-CB 3.24Å; F185-W188 PolarHBondContact O-N 2.95Å; F185-R193 HydrophobicContact CD1-CG 4.18Å; F185-R193 HydrophobicContact CE1-CB 3.93Å; F185-R193 HydrophobicContact CE1-CG 3.73Å; F185-R193 HydrophobicContact CE2-CB 4.11Å; F185-R193 HydrophobicContact CE2-CG 4.13Å; F185-R193 HydrophobicContact CZ-CB 3.53Å; F185-R193 HydrophobicContact CZ-CG 3.71Å; F185-R193 PolarHBondContact O-NE 3.37Å; F185-I198 HydrophobicContact CD2-CD1 3.89Å; F185-I198 HydrophobicContact CE2-CD1 3.87Å
186	N	69.8	Low	72	Confident	26 Å²	26	55.8 Å²	55.8	14%	0.139	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-77.1	-4.4	178.9	-72.4	-55.1	0	0	0	116	K174 Y175 G176 K177 G184 R193	K174-N186 PolarHBondContact O-ND2 2.93Å; Y175-N186 VanDerWaalsContact CA-ND2 3.27Å; Y175-N186 WeakPolarHBondContact CA-ND2 3.4Å; Y175-N186 PolarHBondContact N-ND2 3.22Å; Y175-N186 PolarHBondContact O-ND2 3.11Å; Y175-N186 VanDerWaalsContact O-ND2 3.14Å; G176-N186 PolarHBondContact N-ND2 3.29Å; G176-N186 VanDerWaalsContact O-CB 3.29Å; G176-N186 WeakPolarHBondContact O-CB 3.4Å; G176-N186 PolarHBondContact O-ND2 3.05Å; K177-N186 HydrophobicContact CB-CB 4.09Å; K177-N186 HydrophobicContact CG-CB 4.32Å; G184-N186 PolarHBondContact O-N 3.09Å; G184-N186 VanDerWaalsContact O-N 3.1Å; N186-R193 PolarHBondContact O-NH2 2.86Å; N186-R193 PolarHBondContact OD1-NH1 3.48Å
187	Q	68.8	Low	72.7	Confident	75 Å²	75	57.6 Å²	57.6	35%	0.35	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-85.8	-15.3	169.1	-63	-59.7	-19.9	0	0	112.3	S178 Y181 G184 F185	S178-Q187 PolarHBondContact O-NE2 3.48Å; Y181-Q187 WeakPolarHBondContact O-CG 3.09Å; G184-Q187 WeakPolarHBondContact O-CB 3.28Å; G184-Q187 PolarHBondContact O-N 2.83Å; F185-Q187 VanDerWaalsContact C-N 3.26Å; F185-Q187 PolarHBondContact O-N 2.95Å
188	W	74.7	Confident	73.8	Confident	6 Å²	6	53.3 Å²	53.3	2%	0.023	29%	0.288	C	S	.	.	S	Bend	trans	-77.7	146.3	-178.2	-55.3	3	0	0	0	109.9	I53 V65 Y183 G184 F185 Q192 R193 T196 I198	I53-W188 HydrophobicContact CD1-CH2 4.15Å; I53-W188 HydrophobicContact CD1-CZ2 4.09Å; I53-W188 HydrophobicContact CG2-CH2 3.7Å; I53-W188 HydrophobicContact CG2-CZ2 4.16Å; V65-W188 HydrophobicContact CG1-CD2 4.24Å; V65-W188 HydrophobicContact CG1-CG 3.82Å; Y183-W188 PolarHBondContact O-NE1 2.9Å; G184-W188 VanDerWaalsContact O-CD1 3.24Å; G184-W188 PolarHBondContact O-NE1 3.4Å; F185-W188 HydrophobicContact CD2-CD2 4.25Å; F185-W188 AromaticContact CD2-CE3 3.67Å; F185-W188 HydrophobicContact CD2-CE3 3.67Å; F185-W188 AromaticContact CD2-CH2 3.89Å; F185-W188 HydrophobicContact CD2-CH2 3.89Å; F185-W188 HydrophobicContact CD2-CZ2 4.42Å; F185-W188 AromaticContact CD2-CZ3 3.48Å; F185-W188 HydrophobicContact CD2-CZ3 3.48Å; F185-W188 VanDerWaalsContact CD2-CZ3 3.48Å; F185-W188 AromaticContact CE2-CE3 3.87Å; F185-W188 HydrophobicContact CE2-CE3 3.87Å; F185-W188 HydrophobicContact CE2-CH2 4.44Å; F185-W188 AromaticContact CE2-CZ3 3.66Å; F185-W188 HydrophobicContact CE2-CZ3 3.66Å; F185-W188 WeakPolarHBondContact O-CB 3.24Å; F185-W188 PolarHBondContact O-N 2.95Å; W188-Q192 HydrophobicContact CB-CB 3.85Å; W188-R193 HydrophobicContact CB-CG 3.84Å; W188-R193 HydrophobicContact CE3-CG 4.47Å; W188-R193 PolarHBondContact O-NE 3.44Å; W188-R193 PolarHBondContact O-NH2 3.39Å; W188-T196 HydrophobicContact CE3-CG2 4.4Å; W188-T196 HydrophobicContact CH2-CG2 3.88Å; W188-T196 HydrophobicContact CZ3-CG2 3.51Å; W188-I198 HydrophobicContact CH2-CD1 3.82Å; W188-I198 HydrophobicContact CH2-CG1 4.24Å; W188-I198 HydrophobicContact CZ3-CD1 3.99Å; W188-I198 HydrophobicContact CZ3-CG1 4.45Å
189	S	76.7	Confident	74.9	Confident	39 Å²	39	57.2 Å²	57.2	27%	0.273	31%	0.308	S	S	.	.			trans	-62.5	157.1	169.2	63.2	0	0	0	0	110.8	D59 K191 Q192 R193	D59-S189 WeakPolarHBondContact OD2-CB 3.33Å; D59-S189 PolarHBondContact OD2-OG 2.81Å; S189-K191 PolarHBondContact O-N 2.95Å; S189-K191 VanDerWaalsContact O-N 3.15Å; S189-Q192 PolarHBondContact O-N 3.07Å; S189-Q192 PolarHBondContact OG-N 3.21Å; S189-R193 WeakPolarHBondContact O-CG 3.41Å; S189-R193 PolarHBondContact O-N 2.78Å
190	E	78.4	Confident	76.1	Confident	163 Å²	163	58.2 Å²	58.2	76%	0.762	30%	0.297	S	S	*	.	H	α-helix	trans	-53	-37.9	177.4	-174.7	177.3	-173.9	0	0	112.2	R193 T194	E190-R193 PolarHBondContact O-N 2.91Å; E190-T194 WeakPolarHBondContact O-CG2 3.35Å; E190-T194 PolarHBondContact O-N 3.45Å; E190-T194 PolarHBondContact O-OG1 3.14Å
191	K	77.2	Confident	77.4	Confident	131 Å²	131	57.8 Å²	57.8	57%	0.57	29%	0.293	S	S	*	.	H	α-helix	trans	-62.9	-47.7	176.2	-162.6	176.2	-177.8	-165.8	0	111.4	V57 S189 R193 T194 T195	V57-K191 HydrophobicContact CG1-CD 3.69Å; V57-K191 VanDerWaalsContact CG1-CE 3.48Å; V57-K191 HydrophobicContact CG1-CG 4.01Å; S189-K191 PolarHBondContact O-N 2.95Å; S189-K191 VanDerWaalsContact O-N 3.15Å; K191-R193 PolarHBondContact O-N 3.39Å; K191-T194 PolarHBondContact O-N 2.82Å; K191-T194 PolarHBondContact O-OG1 3.44Å; K191-T194 VanDerWaalsContact O-OG1 3.05Å; K191-T195 WeakPolarHBondContact O-CG2 3.29Å; K191-T195 PolarHBondContact O-N 3.34Å; K191-T195 PolarHBondContact O-OG1 2.73Å
192	Q	77	Confident	78.6	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.009	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-40.7	176.1	-75.9	178	-38	0	0	112.5	D59 N66 W188 S189 T194 T195 T196	D59-Q192 VanDerWaalsContact CB-CD 3.46Å; D59-Q192 HydrophobicContact CB-CG 3.87Å; N66-Q192 PolarHBondContact OD1-NE2 2.84Å; W188-Q192 HydrophobicContact CB-CB 3.85Å; S189-Q192 PolarHBondContact O-N 3.07Å; S189-Q192 PolarHBondContact OG-N 3.21Å; Q192-T194 VanDerWaalsContact C-N 3.27Å; Q192-T194 PolarHBondContact O-N 3.24Å; Q192-T195 PolarHBondContact O-N 3.22Å; Q192-T196 WeakPolarHBondContact O-CB 3.3Å; Q192-T196 PolarHBondContact O-N 3.47Å; Q192-T196 PolarHBondContact O-OG1 3.21Å
193	R	77.6	Confident	80.1	Confident	84 Å²	84	56.8 Å²	56.8	32%	0.317	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-34.2	179.8	-68.4	-179.1	-159.2	-161	3.7	113.5	F185 N186 W188 S189 E190 K191	F185-R193 HydrophobicContact CD1-CG 4.18Å; F185-R193 HydrophobicContact CE1-CB 3.93Å; F185-R193 HydrophobicContact CE1-CG 3.73Å; F185-R193 HydrophobicContact CE2-CB 4.11Å; F185-R193 HydrophobicContact CE2-CG 4.13Å; F185-R193 HydrophobicContact CZ-CB 3.53Å; F185-R193 HydrophobicContact CZ-CG 3.71Å; F185-R193 PolarHBondContact O-NE 3.37Å; N186-R193 PolarHBondContact O-NH2 2.86Å; N186-R193 PolarHBondContact OD1-NH1 3.48Å; W188-R193 HydrophobicContact CB-CG 3.84Å; W188-R193 HydrophobicContact CE3-CG 4.47Å; W188-R193 PolarHBondContact O-NE 3.44Å; W188-R193 PolarHBondContact O-NH2 3.39Å; S189-R193 WeakPolarHBondContact O-CG 3.41Å; S189-R193 PolarHBondContact O-N 2.78Å; E190-R193 PolarHBondContact O-N 2.91Å; K191-R193 PolarHBondContact O-N 3.39Å
194	T	79.1	Confident	81.4	Confident	109 Å²	109	55.7 Å²	55.7	67%	0.669	29%	0.286	S	S	*	.	H	α-helix	trans	-88.6	-20.4	-176.5	50.2	0	0	0	0	113.2	E190 K191 Q192	E190-T194 WeakPolarHBondContact O-CG2 3.35Å; E190-T194 PolarHBondContact O-N 3.45Å; E190-T194 PolarHBondContact O-OG1 3.14Å; K191-T194 PolarHBondContact O-N 2.82Å; K191-T194 PolarHBondContact O-OG1 3.44Å; K191-T194 VanDerWaalsContact O-OG1 3.05Å; Q192-T194 VanDerWaalsContact C-N 3.27Å; Q192-T194 PolarHBondContact O-N 3.24Å
195	T	80.4	Confident	82.6	Confident	46 Å²	46	60 Å²	60	28%	0.282	31%	0.307	S	S	.	.	H	α-helix	trans	-112.6	-4.6	-174.6	68.3	0	0	0	0	114.2	S56 V57 K191 Q192	S56-T195 VanDerWaalsContact OG-CB 3.3Å; S56-T195 WeakPolarHBondContact OG-CB 2.93Å; S56-T195 PolarHBondContact OG-O 2.72Å; V57-T195 HydrophobicContact CG2-CG2 3.86Å; V57-T195 VanDerWaalsContact CG2-OG1 3.29Å; V57-T195 WeakPolarHBondContact CG2-OG1 3.2Å; K191-T195 WeakPolarHBondContact O-CG2 3.29Å; K191-T195 PolarHBondContact O-N 3.34Å; K191-T195 PolarHBondContact O-OG1 2.73Å; Q192-T195 PolarHBondContact O-N 3.22Å
196	T	81.9	Confident	83.8	Confident	18 Å²	18	60.1 Å²	60.1	11%	0.11	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.5	179.6	-61.8	0	0	0	0	110.5	I53 P55 W188 Q192 I198	I53-T196 HydrophobicContact CG2-CG2 3.42Å; I53-T196 VanDerWaalsContact CG2-CG2 3.42Å; P55-T196 HydrophobicContact CB-CG2 4.31Å; W188-T196 HydrophobicContact CE3-CG2 4.4Å; W188-T196 HydrophobicContact CH2-CG2 3.88Å; W188-T196 HydrophobicContact CZ3-CG2 3.51Å; Q192-T196 WeakPolarHBondContact O-CB 3.3Å; Q192-T196 PolarHBondContact O-N 3.47Å; Q192-T196 PolarHBondContact O-OG1 3.21Å; T196-I198 HydrophobicContact CG2-CG1 4.34Å
197	S	84.6	Confident	85.1	Confident	53 Å²	53	58.9 Å²	58.9	37%	0.371	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	132.4	169.4	-156.8	0	0	0	0	109.4	I53 A54 D199	I53-S197 WeakPolarHBondContact CA-O 3.28Å; A54-S197 PolarHBondContact N-O 3.3Å; A54-S197 PolarHBondContact O-N 3.27Å; S197-D199 PolarHBondContact OG-OD2 2.58Å
198	I	86.3	Confident	86.5	Confident	78 Å²	78	59.2 Å²	59.2	40%	0.4	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	110.8	172.9	-57.1	176.6	0	0	0	106.7	V51 M52 F185 W188 T196	V51-I198 HydrophobicContact CG1-CG2 3.78Å; M52-I198 WeakPolarHBondContact O-CA 3.45Å; F185-I198 HydrophobicContact CD2-CD1 3.89Å; F185-I198 HydrophobicContact CE2-CD1 3.87Å; W188-I198 HydrophobicContact CH2-CD1 3.82Å; W188-I198 HydrophobicContact CH2-CG1 4.24Å; W188-I198 HydrophobicContact CZ3-CD1 3.99Å; W188-I198 HydrophobicContact CZ3-CG1 4.45Å; T196-I198 HydrophobicContact CG2-CG1 4.34Å
199	D	90.3	Very high	87.6	Confident	90 Å²	90	62.2 Å²	62.2	48%	0.481	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.5	-176.2	-65.4	-60.1	0	0	0	110.3	M52 S197	M52-D199 PolarHBondContact N-O 3.21Å; M52-D199 PolarHBondContact O-N 3.4Å; S197-D199 PolarHBondContact OG-OD2 2.58Å
200	Y	92.2	Very high	88.6	Confident	121 Å²	121	60.3 Å²	60.3	48%	0.475	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	129.9	170.6	-61.7	-64.1	0	0	0	109.9	F166 H167 Y204	F166-Y200 AromaticContact CE1-CD1 3.87Å; F166-Y200 HydrophobicContact CE1-CD1 3.87Å; F166-Y200 AromaticContact CE1-CE1 3.64Å; F166-Y200 HydrophobicContact CE1-CE1 3.64Å; F166-Y200 HydrophobicContact CZ-CD1 4.11Å; F166-Y200 HydrophobicContact CZ-CE1 4.12Å; H167-Y200 AromaticContact CE1-CZ 3.94Å; H167-Y200 PolarHBondContact CE1-OH 3.33Å; Y200-Y204 AromaticContact CD1-CD1 3.99Å; Y200-Y204 HydrophobicContact CD1-CD1 3.99Å; Y200-Y204 HydrophobicContact CD1-CD2 4.5Å; Y200-Y204 AromaticContact CD1-CE1 3.99Å; Y200-Y204 HydrophobicContact CD1-CE1 3.99Å; Y200-Y204 HydrophobicContact CD1-CG 4.21Å; Y200-Y204 HydrophobicContact CD2-CD1 4.47Å; Y200-Y204 HydrophobicContact CD2-CE1 4.05Å; Y200-Y204 AromaticContact CG-CD1 3.75Å; Y200-Y204 HydrophobicContact CG-CD1 3.75Å; Y200-Y204 AromaticContact CG-CE1 3.72Å; Y200-Y204 HydrophobicContact CG-CE1 3.72Å; Y200-Y204 HydrophobicContact CG-CG 4.39Å
201	G	91.8	Very high	89.5	Confident	7 Å²	7	52.7 Å²	52.7	7%	0.072	27%	0.268	C	S	.	.			trans	-89.7	-176.9	-178.2	0	0	0	0	0	113.7	T49 F50 G203 Y204 I205	T49-G201 CarbonylContact O-C 3.52Å; T49-G201 WeakPolarHBondContact O-CA 3.37Å; F50-G201 PolarHBondContact O-N 3.24Å; G201-G203 PolarHBondContact O-N 2.78Å; G201-Y204 PolarHBondContact O-N 3.14Å; G201-I205 PolarHBondContact O-N 2.79Å
202	S	93.1	Very high	90.5	Very high	59 Å²	59	50.4 Å²	50.4	41%	0.413	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-35.9	-176.4	54	0	0	0	0	113.9	T49 Y204 I205 L206	T49-S202 PolarHBondContact O-N 3.08Å; T49-S202 VanDerWaalsContact O-N 3.14Å; T49-S202 PolarHBondContact OG1-OG 3.32Å; S202-Y204 VanDerWaalsContact C-N 3.29Å; S202-Y204 PolarHBondContact O-N 2.9Å; S202-I205 PolarHBondContact O-N 2.81Å; S202-L206 VanDerWaalsContact O-CG 3.24Å; S202-L206 WeakPolarHBondContact O-CG 3.33Å; S202-L206 PolarHBondContact O-N 3.14Å
203	G	93.4	Very high	91.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.3	-41	178.5	0	0	0	0	0	112.1	S44 T49 G201 L206 L207	S44-G203 WeakPolarHBondContact CB-O 3.4Å; T49-G203 PolarHBondContact O-N 3.15Å; T49-G203 PolarHBondContact OG1-N 3.2Å; T49-G203 VanDerWaalsContact OG1-N 3.09Å; G201-G203 PolarHBondContact O-N 2.78Å; G203-L206 PolarHBondContact O-N 2.84Å; G203-L207 PolarHBondContact O-N 3.14Å
204	Y	94.9	Very high	92.5	Very high	23 Å²	23	49.7 Å²	49.7	9%	0.09	26%	0.26	C	S	.	.	H	α-helix	trans	-67.4	-41.7	176.4	174.4	-100.4	0	0	0	112.5	I163 F166 H167 Y200 G201 S202 L206 L207 W208	I163-Y204 HydrophobicContact CG2-CE2 4.45Å; F166-Y204 AromaticContact CD1-CD2 3.76Å; F166-Y204 HydrophobicContact CD1-CD2 3.76Å; F166-Y204 AromaticContact CD1-CE2 3.6Å; F166-Y204 HydrophobicContact CD1-CE2 3.6Å; F166-Y204 AromaticContact CE1-CD2 3.48Å; F166-Y204 HydrophobicContact CE1-CD2 3.48Å; F166-Y204 VanDerWaalsContact CE1-CD2 3.48Å; F166-Y204 AromaticContact CE1-CE2 3.53Å; F166-Y204 HydrophobicContact CE1-CE2 3.53Å; F166-Y204 HydrophobicContact CE1-CG 4.33Å; F166-Y204 HydrophobicContact CZ-CD2 4.19Å; H167-Y204 PolarHBondContact CE1-OH 3.28Å; H167-Y204 VanDerWaalsContact CE1-OH 3.24Å; H167-Y204 AromaticContact NE2-CE2 3.83Å; H167-Y204 AromaticContact NE2-CZ 3.71Å; H167-Y204 PolarHBondContact NE2-OH 2.74Å; Y200-Y204 AromaticContact CD1-CD1 3.99Å; Y200-Y204 HydrophobicContact CD1-CD1 3.99Å; Y200-Y204 HydrophobicContact CD1-CD2 4.5Å; Y200-Y204 AromaticContact CD1-CE1 3.99Å; Y200-Y204 HydrophobicContact CD1-CE1 3.99Å; Y200-Y204 HydrophobicContact CD1-CG 4.21Å; Y200-Y204 HydrophobicContact CD2-CD1 4.47Å; Y200-Y204 HydrophobicContact CD2-CE1 4.05Å; Y200-Y204 AromaticContact CG-CD1 3.75Å; Y200-Y204 HydrophobicContact CG-CD1 3.75Å; Y200-Y204 AromaticContact CG-CE1 3.72Å; Y200-Y204 HydrophobicContact CG-CE1 3.72Å; Y200-Y204 HydrophobicContact CG-CG 4.39Å; G201-Y204 PolarHBondContact O-N 3.14Å; S202-Y204 VanDerWaalsContact C-N 3.29Å; S202-Y204 PolarHBondContact O-N 2.9Å; Y204-L206 VanDerWaalsContact C-N 3.34Å; Y204-L206 PolarHBondContact O-N 2.83Å; Y204-L207 PolarHBondContact O-N 2.77Å; Y204-W208 AromaticContact CD1-CD1 3.97Å; Y204-W208 AromaticContact CE1-CD1 3.52Å; Y204-W208 AromaticContact CE1-NE1 3.49Å; Y204-W208 AromaticContact CE2-CD1 3.82Å; Y204-W208 AromaticContact CE2-NE1 3.44Å; Y204-W208 AromaticContact CZ-CD1 3.46Å; Y204-W208 VanDerWaalsContact CZ-CD1 3.46Å; Y204-W208 AromaticContact CZ-NE1 2.98Å; Y204-W208 PolarHBondContact O-N 3.43Å; Y204-W208 VanDerWaalsContact O-N 3.11Å; Y204-W208 PolarHBondContact OH-NE1 2.9Å
205	I	95.7	Very high	93.4	Very high	95 Å²	95	46.5 Å²	46.5	49%	0.487	24%	0.237	S	C	.	.	H	α-helix	trans	-62.3	-43.9	176.3	-62.7	170.2	0	0	0	110.5	G201 S202 L207 W208 L209	G201-I205 PolarHBondContact O-N 2.79Å; S202-I205 PolarHBondContact O-N 2.81Å; I205-L207 VanDerWaalsContact C-N 3.32Å; I205-L207 PolarHBondContact O-N 3.48Å; I205-W208 PolarHBondContact O-N 3.32Å; I205-L209 HydrophobicContact CG2-CD1 4.15Å; I205-L209 HydrophobicContact CG2-CG 4.44Å; I205-L209 WeakPolarHBondContact O-CG 3.02Å; I205-L209 PolarHBondContact O-N 2.05Å
206	L	96.7	Very high	94.2	Very high	37 Å²	37	47.6 Å²	47.6	19%	0.194	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-38.7	177.7	-68.9	169.2	0	0	0	112	L40 A43 L47 S202 G203 Y204 L209 A210	L40-L206 HydrophobicContact CD2-CD2 3.53Å; A43-L206 HydrophobicContact CB-CD1 4.33Å; L47-L206 HydrophobicContact CD1-CD1 3.43Å; L47-L206 VanDerWaalsContact CD1-CD1 3.43Å; S202-L206 VanDerWaalsContact O-CG 3.24Å; S202-L206 WeakPolarHBondContact O-CG 3.33Å; S202-L206 PolarHBondContact O-N 3.14Å; G203-L206 PolarHBondContact O-N 2.84Å; Y204-L206 VanDerWaalsContact C-N 3.34Å; Y204-L206 PolarHBondContact O-N 2.83Å; L206-L209 PolarHBondContact O-N 3.1Å; L206-A210 VanDerWaalsContact O-CB 3.31Å; L206-A210 WeakPolarHBondContact O-CB 3.25Å; L206-A210 PolarHBondContact O-N 3.2Å
207	L	96.5	Very high	94.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-44.3	174	171.7	55.2	0	0	0	111.9	F50 L159 I163 G203 Y204 I205 A210 T211	F50-L207 HydrophobicContact CE1-CD2 3.75Å; F50-L207 HydrophobicContact CZ-CD2 4.23Å; L159-L207 HydrophobicContact CB-CD1 4.32Å; L159-L207 HydrophobicContact CD2-CD1 3.91Å; I163-L207 HydrophobicContact CD1-CD1 4.49Å; I163-L207 HydrophobicContact CD1-CG 4.02Å; I163-L207 HydrophobicContact CG1-CD1 4.29Å; I163-L207 HydrophobicContact CG1-CD2 3.61Å; I163-L207 HydrophobicContact CG1-CG 3.65Å; G203-L207 PolarHBondContact O-N 3.14Å; Y204-L207 PolarHBondContact O-N 2.77Å; I205-L207 VanDerWaalsContact C-N 3.32Å; I205-L207 PolarHBondContact O-N 3.48Å; L207-A210 PolarHBondContact O-N 2.84Å; L207-T211 WeakPolarHBondContact O-CB 3.39Å; L207-T211 PolarHBondContact O-N 2.96Å; L207-T211 PolarHBondContact O-OG1 2.83Å
208	W	97.4	Very high	95.5	Very high	83 Å²	83	44.2 Å²	44.2	31%	0.314	22%	0.218	S	C	.	.	H	α-helix	trans	-61.1	-46.3	174.2	-89	105.7	0	0	0	112.7	I163 Y204 I205 A210 T211 I212	I163-W208 HydrophobicContact CD1-CD2 3.76Å; I163-W208 HydrophobicContact CD1-CE3 3.9Å; I163-W208 HydrophobicContact CD1-CG 4.21Å; I163-W208 HydrophobicContact CD1-CH2 4.43Å; I163-W208 HydrophobicContact CD1-CZ2 4.31Å; I163-W208 HydrophobicContact CD1-CZ3 4.22Å; I163-W208 HydrophobicContact CG2-CH2 4.14Å; I163-W208 HydrophobicContact CG2-CZ2 3.46Å; I163-W208 VanDerWaalsContact CG2-CZ2 3.46Å; Y204-W208 AromaticContact CD1-CD1 3.97Å; Y204-W208 AromaticContact CE1-CD1 3.52Å; Y204-W208 AromaticContact CE1-NE1 3.49Å; Y204-W208 AromaticContact CE2-CD1 3.82Å; Y204-W208 AromaticContact CE2-NE1 3.44Å; Y204-W208 AromaticContact CZ-CD1 3.46Å; Y204-W208 VanDerWaalsContact CZ-CD1 3.46Å; Y204-W208 AromaticContact CZ-NE1 2.98Å; Y204-W208 PolarHBondContact O-N 3.43Å; Y204-W208 VanDerWaalsContact O-N 3.11Å; Y204-W208 PolarHBondContact OH-NE1 2.9Å; I205-W208 PolarHBondContact O-N 3.32Å; W208-A210 VanDerWaalsContact C-N 3.34Å; W208-A210 PolarHBondContact O-N 3.24Å; W208-T211 WeakPolarHBondContact O-CB 3.34Å; W208-T211 PolarHBondContact O-N 2.97Å; W208-I212 WeakPolarHBondContact O-CG1 3.49Å; W208-I212 PolarHBondContact O-N 3.41Å
209	L	97.9	Very high	95.9	Very high	68 Å²	68	48.6 Å²	48.6	36%	0.356	23%	0.229	S	C	.	.	H	α-helix	trans	-61.8	-43	177.9	-68.1	175.7	0	0	0	111.6	L40 I205 L206 T211 I212 F213	L40-L209 HydrophobicContact CD1-CB 3.98Å; I205-L209 HydrophobicContact CG2-CD1 4.15Å; I205-L209 HydrophobicContact CG2-CG 4.44Å; I205-L209 WeakPolarHBondContact O-CG 3.02Å; I205-L209 PolarHBondContact O-N 2.05Å; L206-L209 PolarHBondContact O-N 3.1Å; L209-T211 VanDerWaalsContact C-N 3.31Å; L209-T211 PolarHBondContact O-N 3.32Å; L209-I212 PolarHBondContact O-N 2.99Å; L209-F213 WeakPolarHBondContact O-CG 3.09Å; L209-F213 PolarHBondContact O-N 3.45Å
210	A	97.8	Very high	96	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59	-43.2	174.5	0	0	0	0	0	111.6	L40 A41 L206 L207 W208 C214	L40-A210 HydrophobicContact CB-CB 3.81Å; A41-A210 HydrophobicContact CB-CB 3.94Å; L206-A210 VanDerWaalsContact O-CB 3.31Å; L206-A210 WeakPolarHBondContact O-CB 3.25Å; L206-A210 PolarHBondContact O-N 3.2Å; L207-A210 PolarHBondContact O-N 2.84Å; W208-A210 VanDerWaalsContact C-N 3.34Å; W208-A210 PolarHBondContact O-N 3.24Å; A210-C214 WeakPolarHBondContact O-CB 3.4Å; A210-C214 PolarHBondContact O-N 3.41Å
211	T	98	Very high	96	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-46.9	178.7	-55.1	0	0	0	0	111.6	L159 Q160 I163 L207 W208 L209 C214 F215	L159-T211 HydrophobicContact CB-CG2 4.16Å; L159-T211 WeakPolarHBondContact CB-OG1 3.21Å; Q160-T211 HydrophobicContact CB-CG2 4.46Å; I163-T211 HydrophobicContact CD1-CG2 4.34Å; I163-T211 WeakPolarHBondContact CD1-OG1 3.27Å; L207-T211 WeakPolarHBondContact O-CB 3.39Å; L207-T211 PolarHBondContact O-N 2.96Å; L207-T211 PolarHBondContact O-OG1 2.83Å; W208-T211 WeakPolarHBondContact O-CB 3.34Å; W208-T211 PolarHBondContact O-N 2.97Å; L209-T211 VanDerWaalsContact C-N 3.31Å; L209-T211 PolarHBondContact O-N 3.32Å; T211-C214 WeakPolarHBondContact O-CB 3.09Å; T211-C214 PolarHBondContact O-N 2.8Å; T211-F215 HydrophobicContact CG2-CD2 3.91Å; T211-F215 HydrophobicContact CG2-CE2 3.63Å; T211-F215 VanDerWaalsContact O-CD2 3.26Å; T211-F215 WeakPolarHBondContact O-CD2 3.41Å; T211-F215 PolarHBondContact O-N 2.67Å
212	I	98.2	Very high	96.1	Very high	84 Å²	84	40.2 Å²	40.2	43%	0.431	19%	0.191	S	C	.	.	H	α-helix	trans	-61.5	-49.4	178.3	-68.1	165.7	0	0	0	110.6	W208 L209 C214 F215 I216	W208-I212 WeakPolarHBondContact O-CG1 3.49Å; W208-I212 PolarHBondContact O-N 3.41Å; L209-I212 PolarHBondContact O-N 2.99Å; I212-C214 VanDerWaalsContact C-N 3.33Å; I212-C214 PolarHBondContact O-N 3.36Å; I212-F215 PolarHBondContact O-N 3.4Å; I212-I216 HydrophobicContact CG2-CD1 3.79Å; I212-I216 HydrophobicContact CG2-CG1 4.5Å; I212-I216 WeakPolarHBondContact O-CG1 3.41Å; I212-I216 PolarHBondContact O-N 3.02Å
213	F	98.2	Very high	95.8	Very high	71 Å²	71	38 Å²	38	31%	0.311	18%	0.178	S	C	.	.	H	α-helix	trans	-66	-34.8	178.8	-69.1	-25.7	0	0	0	112.6	I33 V36 A37 L40 L209 I216 A217	I33-F213 HydrophobicContact CG2-CB 3.8Å; I33-F213 HydrophobicContact CG2-CD1 4.44Å; I33-F213 HydrophobicContact CG2-CG 4.3Å; I33-F213 VanDerWaalsContact CG2-O 3.26Å; I33-F213 WeakPolarHBondContact CG2-O 3.41Å; V36-F213 HydrophobicContact CG1-CD2 3.83Å; V36-F213 HydrophobicContact CG1-CE2 3.93Å; A37-F213 HydrophobicContact CB-CB 3.91Å; L40-F213 HydrophobicContact CD1-CD2 3.61Å; L40-F213 HydrophobicContact CD1-CE2 3.79Å; L209-F213 WeakPolarHBondContact O-CG 3.09Å; L209-F213 PolarHBondContact O-N 3.45Å; F213-I216 HydrophobicContact CD1-CD1 4.26Å; F213-I216 PolarHBondContact O-N 3.47Å; F213-A217 WeakPolarHBondContact O-CB 3.41Å; F213-A217 PolarHBondContact O-N 2.88Å
214	C	98.2	Very high	95.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.9	-49.1	172.8	-172.7	0	0	0	0	111.1	A37 M117 I152 L159 A210 T211 I212 A217 A218	A37-C214 HydrophobicContact CB-CB 4.41Å; M117-C214 HydrophobicContact SD-CB 4.17Å; M117-C214 VanDerWaalsContact SD-SG 3.65Å; I152-C214 WeakPolarHBondContact CG2-O 3.29Å; I152-C214 PolarHBondContact O-SG 3.41Å; L159-C214 HydrophobicContact CD1-CB 4.09Å; A210-C214 WeakPolarHBondContact O-CB 3.4Å; A210-C214 PolarHBondContact O-N 3.41Å; T211-C214 WeakPolarHBondContact O-CB 3.09Å; T211-C214 PolarHBondContact O-N 2.8Å; I212-C214 VanDerWaalsContact C-N 3.33Å; I212-C214 PolarHBondContact O-N 3.36Å; C214-A217 PolarHBondContact O-N 2.9Å; C214-A218 PolarHBondContact O-N 2.8Å
215	F	98	Very high	94.5	Very high	41 Å²	41	40 Å²	40	18%	0.18	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-43.1	176.6	-77.4	-58.3	0	0	0	112.4	M153 G156 F157 T211 I212 A217 A218 W219	M153-F215 HydrophobicContact CE-CD1 4.48Å; M153-F215 HydrophobicContact SD-CD1 3.53Å; M153-F215 VanDerWaalsContact SD-CD1 3.53Å; M153-F215 HydrophobicContact SD-CE1 3.55Å; M153-F215 VanDerWaalsContact SD-CE1 3.55Å; G156-F215 WeakPolarHBondContact O-CZ 3.46Å; F157-F215 HydrophobicContact CD1-CE1 4.33Å; F157-F215 HydrophobicContact CD1-CZ 4.09Å; F157-F215 HydrophobicContact CE1-CE1 4.31Å; F157-F215 HydrophobicContact CE1-CZ 4.32Å; T211-F215 HydrophobicContact CG2-CD2 3.91Å; T211-F215 HydrophobicContact CG2-CE2 3.63Å; T211-F215 VanDerWaalsContact O-CD2 3.26Å; T211-F215 WeakPolarHBondContact O-CD2 3.41Å; T211-F215 PolarHBondContact O-N 2.67Å; I212-F215 PolarHBondContact O-N 3.4Å; F215-A217 VanDerWaalsContact C-N 3.32Å; F215-A217 PolarHBondContact O-N 3.22Å; F215-A218 WeakPolarHBondContact O-CB 3.43Å; F215-A218 PolarHBondContact O-N 3.25Å; F215-W219 PolarHBondContact O-N 2.77Å
216	I	97.1	Very high	93.3	Very high	70 Å²	70	38.9 Å²	38.9	36%	0.359	19%	0.185	S	C	.	.	H	α-helix	trans	-59	-45.5	176.5	-68.7	168.9	0	0	0	110.6	I33 I212 F213 A218 W219 I220	I33-I216 HydrophobicContact CD1-CG2 3.93Å; I33-I216 HydrophobicContact CG2-CG2 4.41Å; I212-I216 HydrophobicContact CG2-CD1 3.79Å; I212-I216 HydrophobicContact CG2-CG1 4.5Å; I212-I216 WeakPolarHBondContact O-CG1 3.41Å; I212-I216 PolarHBondContact O-N 3.02Å; F213-I216 HydrophobicContact CD1-CD1 4.26Å; F213-I216 PolarHBondContact O-N 3.47Å; I216-A218 PolarHBondContact O-N 3.28Å; I216-W219 PolarHBondContact O-N 2.92Å; I216-I220 HydrophobicContact CG2-CD1 3.96Å; I216-I220 VanDerWaalsContact O-CG1 3.31Å; I216-I220 WeakPolarHBondContact O-CG1 3.18Å; I216-I220 PolarHBondContact O-N 3.1Å
217	A	96.9	Very high	91.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60	-46.2	175.2	0	0	0	0	0	111.5	I33 L34 I152 F213 C214 F215 W219 I220 F221	I33-A217 HydrophobicContact CB-CB 4.45Å; I33-A217 HydrophobicContact CG2-CB 4.07Å; L34-A217 HydrophobicContact CB-CB 4.15Å; I152-A217 HydrophobicContact CG2-CB 4.43Å; F213-A217 WeakPolarHBondContact O-CB 3.41Å; F213-A217 PolarHBondContact O-N 2.88Å; C214-A217 PolarHBondContact O-N 2.9Å; F215-A217 VanDerWaalsContact C-N 3.32Å; F215-A217 PolarHBondContact O-N 3.22Å; A217-W219 PolarHBondContact O-N 3Å; A217-I220 PolarHBondContact O-N 2.8Å; A217-F221 VanDerWaalsContact O-CD2 3.25Å; A217-F221 WeakPolarHBondContact O-CD2 3.29Å; A217-F221 PolarHBondContact O-N 2.89Å
218	A	96.4	Very high	90.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.9	-47.9	176.3	0	0	0	0	0	111.8	I152 M153 C214 F215 I216 I220 F221 L222	I152-A218 HydrophobicContact CB-CB 3.98Å; I152-A218 HydrophobicContact CG2-CB 3.76Å; M153-A218 HydrophobicContact CB-CB 4.09Å; M153-A218 HydrophobicContact CE-CB 3.98Å; C214-A218 PolarHBondContact O-N 2.8Å; F215-A218 WeakPolarHBondContact O-CB 3.43Å; F215-A218 PolarHBondContact O-N 3.25Å; I216-A218 PolarHBondContact O-N 3.28Å; A218-I220 VanDerWaalsContact C-N 3.31Å; A218-I220 PolarHBondContact O-N 2.68Å; A218-F221 PolarHBondContact O-N 2.82Å; A218-L222 WeakPolarHBondContact O-CB 3.26Å; A218-L222 VanDerWaalsContact O-CG 3.26Å; A218-L222 WeakPolarHBondContact O-CG 3.21Å; A218-L222 PolarHBondContact O-N 3.03Å
219	W	94.9	Very high	88.6	Confident	170 Å²	170	40.3 Å²	40.3	64%	0.644	20%	0.201	S	C	*	.	H	α-helix	trans	-61.2	-36.9	178.1	-79.7	112.8	0	0	0	112.7	M153 F215 I216 A217 G223	M153-W219 HydrophobicContact CE-CD2 4.31Å; M153-W219 HydrophobicContact CE-CZ2 4.32Å; F215-W219 PolarHBondContact O-N 2.77Å; I216-W219 PolarHBondContact O-N 2.92Å; A217-W219 PolarHBondContact O-N 3Å; W219-G223 WeakPolarHBondContact O-CA 3.47Å; W219-G223 PolarHBondContact O-N 3.05Å
220	I	93.3	Very high	86.4	Confident	11 Å²	11	41.4 Å²	41.4	6%	0.056	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-49.7	174.6	-69.9	166.6	0	0	0	110.4	W26 T29 I33 I216 A217 A218 L222 G223 T224	W26-I220 HydrophobicContact CB-CG2 4.25Å; W26-I220 HydrophobicContact CE3-CD1 4.45Å; W26-I220 HydrophobicContact CE3-CG1 4.31Å; W26-I220 HydrophobicContact CE3-CG2 4.44Å; W26-I220 WeakPolarHBondContact O-CG2 3.44Å; T29-I220 HydrophobicContact CG2-CD1 4.35Å; I33-I220 HydrophobicContact CD1-CD1 3.81Å; I216-I220 HydrophobicContact CG2-CD1 3.96Å; I216-I220 VanDerWaalsContact O-CG1 3.31Å; I216-I220 WeakPolarHBondContact O-CG1 3.18Å; I216-I220 PolarHBondContact O-N 3.1Å; A217-I220 PolarHBondContact O-N 2.8Å; A218-I220 VanDerWaalsContact C-N 3.31Å; A218-I220 PolarHBondContact O-N 2.68Å; I220-L222 PolarHBondContact O-N 3.5Å; I220-G223 PolarHBondContact O-N 2.95Å; I220-T224 WeakPolarHBondContact O-CG2 3Å; I220-T224 PolarHBondContact O-N 3.33Å
221	F	92.4	Very high	84.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-41.7	179.1	-80.4	-76.7	0	0	0	112.3	I27 A124 R145 I148 I152 A217 A218 T224	I27-F221 HydrophobicContact CD1-CD1 3.65Å; I27-F221 HydrophobicContact CD1-CE1 3.73Å; I27-F221 HydrophobicContact CG2-CE1 4.15Å; A124-F221 HydrophobicContact CB-CE1 4.23Å; A124-F221 HydrophobicContact CB-CZ 3.9Å; R145-F221 HydrophobicContact CG-CD1 4.45Å; I148-F221 HydrophobicContact CB-CD1 4.48Å; I148-F221 HydrophobicContact CG2-CD1 3.96Å; I148-F221 HydrophobicContact CG2-CD2 4.24Å; I148-F221 HydrophobicContact CG2-CE1 4.13Å; I148-F221 HydrophobicContact CG2-CE2 4.42Å; I148-F221 HydrophobicContact CG2-CG 4.04Å; I148-F221 HydrophobicContact CG2-CZ 4.37Å; I152-F221 HydrophobicContact CD1-CD2 3.6Å; I152-F221 HydrophobicContact CD1-CE2 3.92Å; I152-F221 HydrophobicContact CD1-CG 4.37Å; A217-F221 VanDerWaalsContact O-CD2 3.25Å; A217-F221 WeakPolarHBondContact O-CD2 3.29Å; A217-F221 PolarHBondContact O-N 2.89Å; A218-F221 PolarHBondContact O-N 2.82Å; F221-T224 PolarHBondContact O-OG1 3.47Å
222	L	92.4	Very high	81.7	Confident	31 Å²	31	49.1 Å²	49.1	16%	0.162	25%	0.248	C	C	.	.	H	α-helix	trans	-67.4	-44.1	175.1	-67.9	174.1	0	0	0	112.1	L146 I150 M153 A218 I220 T224 Y225 C226	L146-L222 HydrophobicContact CD1-CD2 3.8Å; I150-L222 HydrophobicContact CG1-CD2 4Å; M153-L222 HydrophobicContact CE-CD1 3.65Å; A218-L222 WeakPolarHBondContact O-CB 3.26Å; A218-L222 VanDerWaalsContact O-CG 3.26Å; A218-L222 WeakPolarHBondContact O-CG 3.21Å; A218-L222 PolarHBondContact O-N 3.03Å; I220-L222 PolarHBondContact O-N 3.5Å; L222-T224 VanDerWaalsContact C-N 3.3Å; L222-T224 PolarHBondContact O-N 3.43Å; L222-Y225 WeakPolarHBondContact O-CB 3.14Å; L222-Y225 PolarHBondContact O-N 3.37Å; L222-C226 PolarHBondContact O-N 3.45Å
223	G	86.6	Confident	79.4	Confident	13 Å²	13	47.9 Å²	47.9	13%	0.134	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-37.2	-179.3	0	0	0	0	0	112.4	W219 I220 Y225 C226 C227 W228	W219-G223 WeakPolarHBondContact O-CA 3.47Å; W219-G223 PolarHBondContact O-N 3.05Å; I220-G223 PolarHBondContact O-N 2.95Å; G223-Y225 PolarHBondContact O-N 3.19Å; G223-C226 PolarHBondContact O-N 3.36Å; G223-C227 PolarHBondContact O-N 2.97Å; G223-W228 PolarHBondContact O-N 2.62Å
224	T	83.3	Confident	76.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-26.6	174.9	63.5	0	0	0	0	113	T23 W26 I27 I220 F221 L222 W228 T229	T23-T224 HydrophobicContact CG2-CG2 4.49Å; W26-T224 HydrophobicContact CB-CG2 4.14Å; I27-T224 HydrophobicContact CD1-CG2 3.72Å; I27-T224 HydrophobicContact CG1-CG2 4.03Å; I220-T224 WeakPolarHBondContact O-CG2 3Å; I220-T224 PolarHBondContact O-N 3.33Å; F221-T224 PolarHBondContact O-OG1 3.47Å; L222-T224 VanDerWaalsContact C-N 3.3Å; L222-T224 PolarHBondContact O-N 3.43Å; T224-W228 HydrophobicContact CG2-CE3 3.49Å; T224-W228 VanDerWaalsContact CG2-CE3 3.49Å; T224-W228 HydrophobicContact CG2-CZ3 3.82Å; T224-T229 WeakPolarHBondContact O-CB 3.3Å; T224-T229 WeakPolarHBondContact O-CG2 3.29Å; T224-T229 PolarHBondContact O-OG1 3.39Å
225	Y	77.6	Confident	74.4	Confident	65 Å²	65	57.5 Å²	57.5	26%	0.255	30%	0.298	S	S	.	.	H	α-helix	trans	-78.4	-45.5	174.9	178.9	-93.7	0	0	0	112.5	R142 L146 L222 G223	R142-Y225 HydrophobicContact CB-CD2 3.97Å; R142-Y225 HydrophobicContact CB-CE2 4.2Å; R142-Y225 PolarHBondContact NH2-O 3.3Å; R142-Y225 WeakPolarHBondContact O-CD2 3.34Å; L146-Y225 HydrophobicContact CB-CD1 4.5Å; L146-Y225 HydrophobicContact CB-CD2 3.81Å; L146-Y225 HydrophobicContact CB-CE2 4.29Å; L146-Y225 HydrophobicContact CB-CG 3.92Å; L146-Y225 HydrophobicContact CD1-CD1 3.87Å; L146-Y225 HydrophobicContact CD1-CE1 4.38Å; L146-Y225 HydrophobicContact CD1-CG 4.03Å; L146-Y225 HydrophobicContact CD2-CD1 4.17Å; L146-Y225 HydrophobicContact CD2-CD2 4.27Å; L146-Y225 HydrophobicContact CD2-CE1 3.93Å; L146-Y225 HydrophobicContact CD2-CE2 4.02Å; L146-Y225 HydrophobicContact CD2-CG 4.34Å; L146-Y225 HydrophobicContact CG-CD1 4.41Å; L146-Y225 HydrophobicContact CG-CD2 4.47Å; L146-Y225 HydrophobicContact CG-CG 4.32Å; L222-Y225 WeakPolarHBondContact O-CB 3.14Å; L222-Y225 PolarHBondContact O-N 3.37Å; G223-Y225 PolarHBondContact O-N 3.19Å
226	C	71.3	Confident	71.9	Confident	70 Å²	70	62 Å²	62	47%	0.473	32%	0.324	S	S	.	.	H	α-helix	trans	-87.4	-35.4	-169.6	-66.2	0	0	0	0	114.6	L222 G223 L230	L222-C226 PolarHBondContact O-N 3.45Å; G223-C226 PolarHBondContact O-N 3.36Å; C226-L230 WeakPolarHBondContact O-CD1 3.39Å
227	C	67.7	Low	69.5	Low	92 Å²	92	66.9 Å²	66.9	62%	0.622	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	-22.1	-163.9	-59.1	0	0	0	0	113.5	G223	G223-C227 PolarHBondContact O-N 2.97Å
228	W	64.9	Low	66.8	Low	55 Å²	55	71.9 Å²	71.9	21%	0.208	38%	0.377	C	S	.	.	S	Bend	trans	-119	0.2	-167	-51.5	-30.9	0	0	0	115	T23 W26 G223 T224	T23-W228 PolarHBondContact OG1-O 3.04Å; W26-W228 HydrophobicContact CB-CE3 4.13Å; W26-W228 HydrophobicContact CB-CZ3 3.81Å; W26-W228 AromaticContact CD1-CE3 3.79Å; W26-W228 AromaticContact CD1-CZ3 3.84Å; W26-W228 HydrophobicContact CD2-CE3 4.35Å; W26-W228 AromaticContact CD2-CH2 3.83Å; W26-W228 HydrophobicContact CD2-CH2 3.83Å; W26-W228 AromaticContact CD2-CZ3 3.62Å; W26-W228 HydrophobicContact CD2-CZ3 3.62Å; W26-W228 HydrophobicContact CE3-CH2 4.05Å; W26-W228 HydrophobicContact CE3-CZ3 4.07Å; W26-W228 AromaticContact CG-CE3 3.83Å; W26-W228 HydrophobicContact CG-CE3 3.83Å; W26-W228 HydrophobicContact CG-CH2 4.18Å; W26-W228 AromaticContact CG-CZ3 3.48Å; W26-W228 HydrophobicContact CG-CZ3 3.48Å; W26-W228 VanDerWaalsContact CG-CZ3 3.48Å; W26-W228 HydrophobicContact CZ2-CH2 4.43Å; W26-W228 HydrophobicContact CZ3-CH2 4.44Å; G223-W228 PolarHBondContact O-N 2.62Å; T224-W228 HydrophobicContact CG2-CE3 3.49Å; T224-W228 VanDerWaalsContact CG2-CE3 3.49Å; T224-W228 HydrophobicContact CG2-CZ3 3.82Å
229	T	58.5	Low	64.5	Low	3 Å²	3	77.7 Å²	77.7	2%	0.018	42%	0.415	C	S	.	.	S	Bend	trans	-137.7	8.6	-176.1	60.3	0	0	0	0	116.1	T23 R142 T224	T23-T229 HydrophobicContact CG2-CG2 3.42Å; T23-T229 VanDerWaalsContact CG2-CG2 3.42Å; R142-T229 PolarHBondContact NE-OG1 2.92Å; R142-T229 VanDerWaalsContact NE-OG1 3.12Å; T224-T229 WeakPolarHBondContact O-CB 3.3Å; T224-T229 WeakPolarHBondContact O-CG2 3.29Å; T224-T229 PolarHBondContact O-OG1 3.39Å
230	L	53	Low	62.2	Low	92 Å²	92	75.1 Å²	75.1	48%	0.482	41%	0.414	S	S	.	.	S	Bend	trans	-72.1	-30	-172.5	-90.4	161.4	0	0	0	114	C226	C226-L230 WeakPolarHBondContact O-CD1 3.39Å
231	D	48.7	Very low	59.9	Low	88 Å²	88	80.6 Å²	80.6	47%	0.471	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-89.7	-13.5	-170.7	-65.8	-19.2	0	0	0	114.7	K18 V233	K18-D231 HydrophobicContact CD-CB 4.46Å; K18-D231 WeakPolarHBondContact CE-OD2 3.4Å; K18-D231 IonicContact NZ-OD2 2.71Å; K18-D231 PolarHBondContact NZ-OD2 3.02Å; D231-V233 VanDerWaalsContact C-N 3.27Å; D231-V233 PolarHBondContact O-N 3.41Å
232	D	48.4	Very low	57.6	Low	75 Å²	75	86.5 Å²	86.5	40%	0.401	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-75.9	-10.5	-178.6	-84.7	-12	0	0	0	113.8
233	V	48.9	Very low	55.4	Low	58 Å²	58	92.2 Å²	92.2	35%	0.352	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-102.5	-12.2	-170.3	-177.2	0	0	0	0	113.6	D231	D231-V233 VanDerWaalsContact C-N 3.27Å; D231-V233 PolarHBondContact O-N 3.41Å
234	D	46	Very low	53.3	Low	151 Å²	151	97.1 Å²	97.1	81%	0.807	55%	0.546	S	S	*	.	S	Bend	trans	-96.1	9.3	180	-76	-16.1	0	0	0	114
235	I	46	Very low	51.3	Low	122 Å²	122	108.5 Å²	108.5	63%	0.626	59%	0.589	S	S	*	*	S	Bend	trans	-103.6	-15.4	-175.2	-57.2	-180	0	0	0	113.8
236	D	44.5	Very low	49.5	Very low	136 Å²	136	114.5 Å²	114.5	73%	0.727	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	9.5	-166.2	-94.1	-3.1	0	0	0	117.4
237	D	46.9	Very low	47.8	Very low	172 Å²	172	116.6 Å²	116.6	92%	0.92	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.6	7.3	173.3	-89.1	-27.2	0	0	0	114.8
238	N	41.5	Very low	46.4	Very low	106 Å²	106	117.4 Å²	117.4	57%	0.567	63%	0.634	S	S	*	*			trans	-147	109.7	175.7	-150.7	-5.3	0	0	0	112.7	N240	N238-N240 PolarHBondContact O-N 2.91Å
239	P	47.1	Very low	45.1	Very low	122 Å²	122	122.4 Å²	122.4	79%	0.792	67%	0.665	S	S	*	*	S	Bend	trans	-69.2	6.3	-179.9	27.4	-33.3	0	0	0	114.5
240	N	47.3	Very low	44.2	Very low	116 Å²	116	128.4 Å²	128.4	62%	0.62	70%	0.702	S	S	*	*			trans	-122.1	97.6	176.1	-82.6	-25	0	0	0	110.1	N238 T242	N238-N240 PolarHBondContact O-N 2.91Å; N240-T242 VanDerWaalsContact C-N 3.3Å; N240-T242 PolarHBondContact O-N 3.18Å
241	P	44	Very low	43.5	Very low	126 Å²	126	126.7 Å²	126.7	82%	0.818	71%	0.706	S	S	*	*			trans	-67.5	94.2	167.6	27.8	-30.9	0	0	0	108	L243	P241-L243 PolarHBondContact O-N 3.15Å
242	T	44	Very low	43	Very low	124 Å²	124	129.8 Å²	129.8	76%	0.761	72%	0.723	S	S	*	*			trans	-79.4	106.3	164.2	38.3	0	0	0	0	106.6	N240	N240-T242 VanDerWaalsContact C-N 3.3Å; N240-T242 PolarHBondContact O-N 3.18Å
243	L	45.9	Very low	42.5	Very low	150 Å²	150	135.6 Å²	135.6	79%	0.785	75%	0.75	S	S	*	*			trans	-45.3	142.5	166.6	-76.4	161	0	0	0	109.1	P241 R245	P241-L243 PolarHBondContact O-N 3.15Å; L243-R245 VanDerWaalsContact C-N 3.3Å; L243-R245 PolarHBondContact O-N 2.56Å
244	P	43.1	Very low	42.2	Very low	116 Å²	116	137.1 Å²	137.1	75%	0.753	76%	0.763	S	S	*	*			trans	-61	97.2	172.3	25.4	-31	0	0	0	107.9	F246	P244-F246 PolarHBondContact O-N 2.93Å
245	R	42	Very low	41.9	Very low	239 Å²	239	139.9 Å²	139.9	90%	0.902	77%	0.768	S	S	*	*			trans	-69.2	104.3	170.3	-84.2	-171.5	-177.5	-169.6	1.5	106.6	L243 S247	L243-R245 VanDerWaalsContact C-N 3.3Å; L243-R245 PolarHBondContact O-N 2.56Å; R245-S247 PolarHBondContact O-N 2.65Å; R245-S247 VanDerWaalsContact O-N 3.16Å
246	F	38.8	Very low	41.5	Very low	191 Å²	191	146.2 Å²	146.2	84%	0.838	78%	0.784	S	S	*	*			trans	-50.1	120.4	148.6	-85.8	-87.8	0	0	0	107.2	P244 T248	P244-F246 PolarHBondContact O-N 2.93Å; F246-T248 PolarHBondContact O-N 3.04Å
247	S	36.6	Very low	41.2	Very low	114 Å²	114	142.9 Å²	142.9	80%	0.797	78%	0.781	S	S	*	*			trans	-68.3	85.9	175.4	65.5	0	0	0	0	109	R245 D249	R245-S247 PolarHBondContact O-N 2.65Å; R245-S247 VanDerWaalsContact O-N 3.16Å; S247-D249 PolarHBondContact O-N 2.7Å
248	T	38.4	Very low	40.9	Very low	110 Å²	110	141.7 Å²	141.7	68%	0.675	78%	0.78	S	S	*	*			trans	-94.5	55.1	160.7	55.6	0	0	0	0	108.7	F246 T250	F246-T248 PolarHBondContact O-N 3.04Å; T248-T250 PolarHBondContact O-N 3.47Å
249	D	37.6	Very low	40.8	Very low	160 Å²	160	145.3 Å²	145.3	86%	0.856	79%	0.794	S	S	*	*			trans	-80.6	62.9	157.6	-91.7	-20.1	0	0	0	108.1	S247 G251	S247-D249 PolarHBondContact O-N 2.7Å; D249-G251 PolarHBondContact O-N 3.41Å
250	T	40.3	Very low	40.5	Very low	129 Å²	129	144.4 Å²	144.4	79%	0.791	79%	0.788	S	S	*	*			trans	-81.3	73.6	158.4	45.8	0	0	0	0	107	T248	T248-T250 PolarHBondContact O-N 3.47Å
251	G	36.3	Very low	40.2	Very low	55 Å²	55	143.5 Å²	143.5	57%	0.567	79%	0.791	S	S	*	*	S	Bend	trans	-175	25	-170.2	0	0	0	0	0	117.3	D249	D249-G251 PolarHBondContact O-N 3.41Å
252	N	39	Very low	40.3	Very low	154 Å²	154	144.6 Å²	144.6	82%	0.824	79%	0.788	S	S	*	*			trans	-162.2	63.1	159.9	-100.6	-24.2	0	0	0	111.1
253	M	39.2	Very low	40.3	Very low	197 Å²	197	146.6 Å²	146.6	97%	0.97	79%	0.791	S	S	*	*			trans	-88.3	20.8	164.7	-89	-166.1	-78.8	0	0	112.8
254	S	40.9	Very low	40.3	Very low	90 Å²	90	147.3 Å²	147.3	63%	0.629	80%	0.796	S	S	*	*			trans	-117.5	89.7	176.8	179.2	0	0	0	0	109.9
255	K	40.2	Very low	40.5	Very low	208 Å²	208	150.7 Å²	150.7	90%	0.904	80%	0.802	S	S	*	*			trans	160	65.6	152.1	-88	167.9	-177.6	-175.8	0	110
256	R	37	Very low	40.6	Very low	256 Å²	256	146.9 Å²	146.9	97%	0.966	80%	0.799	S	S	*	*			trans	-132.6	96.4	156.7	-129.5	-175.8	-164.6	-175.3	5.3	105.8
257	G	39.5	Very low	40.8	Very low	65 Å²	65	149.2 Å²	149.2	67%	0.67	82%	0.82	S	S	*	*	S	Bend	trans	160.2	96.2	179.8	0	0	0	0	0	112
258	T	40.5	Very low	41	Very low	147 Å²	147	151 Å²	151	90%	0.902	82%	0.821	S	S	*	*			trans	72.5	100.7	152.8	27.7	0	0	0	0	119
259	E	39.2	Very low	41.2	Very low	183 Å²	183	153.1 Å²	153.1	86%	0.855	83%	0.829	S	S	*	*			trans	-42	176.9	145.2	-85.8	-177.1	153.8	0	0	114.9
260	P	41.1	Very low	41.4	Very low	102 Å²	102	152.7 Å²	152.7	66%	0.662	83%	0.827	S	S	*	*			cis	-138.9	173.6	6.1	24.8	-0.1	0	0	0	116.3
261	S	41	Very low	41.4	Very low	98 Å²	98	154.1 Å²	154.1	69%	0.685	83%	0.83	S	S	*	*			trans	54.8	130.6	144.6	65.6	0	0	0	0	119
262	I	46.3	Very low	41.8	Very low	148 Å²	148	160.3 Å²	160.3	76%	0.759	85%	0.846	S	S	*	*				-173.2	134.8	77.9	-79.1	164.3	0	0	0	108.5
263	M	44.4	Very low	42	Very low	166 Å²	166	160.7 Å²	160.7	82%	0.818	85%	0.847	S	S	*	*			trans	24.3	126.1	149.8	-57.2	176.3	-166.2	0	0	121.1
264	N	45.8	Very low	42.1	Very low	166 Å²	166	158.1 Å²	158.1	89%	0.888	84%	0.839	S	S	*	*				-158.7	119.5	111.3	-107.1	-11.8	0	0	0	110.9
265	Q	46.3	Very low	42.2	Very low	187 Å²	187	163.4 Å²	163.4	87%	0.874	86%	0.855	S	S	*	*			trans	-93.4	127.9	173.8	-144.3	171.8	-7.3	0	0	106.3	D267	Q265-D267 PolarHBondContact O-N 2.88Å
266	N	44.2	Very low	42.4	Very low	158 Å²	158	159.7 Å²	159.7	85%	0.845	85%	0.851	S	S	*	*			trans	-80.2	104.1	164.2	-77.4	-20.9	0	0	0	107.2
267	D	43.8	Very low	42.9	Very low	240 Å²	240	150.9 Å²	150.9	100%	1.283	84%	0.84	S	S	*	*			trans	-175.5	0	138.9	-89	-17.4	0	0	0	108.6	Q265	Q265-D267 PolarHBondContact O-N 2.88Å

Retrieved 267 of 267 residues in 81 ms (Link to these results)

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