A0A087WQC8_MOUSE Loading...

aldehyde oxidase

AlphaFold DB , UniProt , Accession A0A087WQC8, Species MOUSE (Mus musculus, Mouse), Gene Aox3, Length 270 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	38.7	Very low	65.5	Low	240 Å²	240	120.9 Å²	120.9	100%	1.182	66%	0.657	S	S	*	*				0	106.2	0	-114.1	90.4	91.6	0	0	107.8
2	S	40.9	Very low	68.3	Low	108 Å²	108	110.8 Å²	110.8	76%	0.755	60%	0.603	S	S	*	*			trans	-65.9	137.6	165.7	47.3	0	0	0	0	108.3	S4	S2-S4 PolarHBondContact O-N 3.26Å; S2-S4 VanDerWaalsContact O-N 3.15Å
3	P	45.2	Very low	70.6	Confident	122 Å²	122	103 Å²	103	79%	0.792	56%	0.559	S	S	*	*			trans	-57.1	125	173.9	24	-30	0	0	0	107.6	K5	P3-K5 PolarHBondContact O-N 2.98Å
4	S	49.5	Very low	72.6	Confident	110 Å²	110	96.1 Å²	96.1	77%	0.769	52%	0.522	S	S	*	.			trans	-54.3	113.6	169.6	46.1	0	0	0	0	106.9	S2 E6	S2-S4 PolarHBondContact O-N 3.26Å; S2-S4 VanDerWaalsContact O-N 3.15Å; S4-E6 PolarHBondContact O-N 3.2Å
5	K	50.8	Low	74.3	Confident	200 Å²	200	91.7 Å²	91.7	87%	0.87	50%	0.498	S	S	*	.			trans	-55.3	104	169.7	-91.2	-179.4	171.1	-179.5	0	106.8	P3 S7	P3-K5 PolarHBondContact O-N 2.98Å; K5-S7 VanDerWaalsContact C-N 3.3Å; K5-S7 PolarHBondContact O-N 3.42Å
6	E	56.1	Low	75.8	Confident	192 Å²	192	89.1 Å²	89.1	90%	0.897	50%	0.499	S	S	*	.			trans	-62.3	100.8	158	-102.6	175.2	162	0	0	105.6	S4	S4-E6 PolarHBondContact O-N 3.2Å
7	S	64.1	Low	77.1	Confident	67 Å²	67	93.5 Å²	93.5	47%	0.469	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-79.6	130.5	172.7	52.2	0	0	0	0	108.4	K5 E9	K5-S7 VanDerWaalsContact C-N 3.3Å; K5-S7 PolarHBondContact O-N 3.42Å; S7-E9 PolarHBondContact O-N 3.35Å
8	D	86.3	Confident	78.3	Confident	164 Å²	164	94.1 Å²	94.1	88%	0.877	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-56	122.6	176.8	-70.1	-39.3	0	0	0	110.8
9	E	94.6	Very high	79.3	Confident	72 Å²	72	90.2 Å²	90.2	34%	0.336	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-82.9	133.1	177	-60.6	-168.2	150.7	0	0	110.8	S7 I11 T20 R22 H85	S7-E9 PolarHBondContact O-N 3.35Å; E9-I11 HydrophobicContact CB-CG1 4.36Å; E9-I11 PolarHBondContact O-N 2.97Å; E9-T20 HydrophobicContact CB-CG2 4.17Å; E9-T20 HydrophobicContact CG-CG2 4.41Å; E9-T20 WeakPolarHBondContact OE2-CG2 3.48Å; E9-R22 HydrophobicContact CG-CG 4.11Å; E9-R22 WeakPolarHBondContact OE1-CG 3.24Å; E9-R22 IonicContact OE1-CZ 3.65Å; E9-R22 IonicContact OE1-NE 2.82Å; E9-R22 PolarHBondContact OE1-NE 3.43Å; E9-R22 IonicContact OE1-NH2 3.66Å; E9-H85 PolarHBondContact O-CE1 2.85Å; E9-H85 PolarHBondContact O-ND1 3.32Å
10	L	96.7	Very high	80.2	Confident	10 Å²	10	88.7 Å²	88.7	5%	0.052	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	115.1	170.7	171.8	64.3	0	0	0	109.5	F12 T20 E21 A24 I81 H85	L10-F12 HydrophobicContact CD2-CD1 4.41Å; L10-F12 HydrophobicContact CD2-CE1 4.24Å; L10-F12 HydrophobicContact CG-CD1 4.08Å; L10-F12 HydrophobicContact CG-CE1 4.34Å; L10-T20 WeakPolarHBondContact O-CA 3.17Å; L10-E21 HydrophobicContact CB-CB 4.19Å; L10-E21 HydrophobicContact CD2-CB 4.43Å; L10-E21 PolarHBondContact N-O 2.9Å; L10-E21 PolarHBondContact O-N 2.83Å; L10-A24 HydrophobicContact CB-CB 3.96Å; L10-A24 HydrophobicContact CD2-CB 3.83Å; L10-I81 HydrophobicContact CD2-CB 3.97Å; L10-I81 HydrophobicContact CD2-CD1 4.11Å; L10-I81 HydrophobicContact CD2-CG1 3.87Å; L10-I81 WeakPolarHBondContact CD2-O 3.4Å; L10-H85 HydrophobicContact CD1-CB 3.73Å
11	I	97.8	Very high	81	Confident	45 Å²	45	86.5 Å²	86.5	23%	0.231	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.4	-178.7	-56.1	175.5	0	0	0	110.2	E9 K18 V19 T20 H85 G86	E9-I11 HydrophobicContact CB-CG1 4.36Å; E9-I11 PolarHBondContact O-N 2.97Å; I11-K18 HydrophobicContact CG2-CG 4.41Å; I11-V19 WeakPolarHBondContact CA-O 3.2Å; I11-T20 HydrophobicContact CG1-CG2 4.35Å; I11-H85 PolarHBondContact N-ND1 3.35Å; I11-H85 WeakPolarHBondContact O-CA 3.41Å; I11-G86 PolarHBondContact O-N 2.95Å
12	F	98.4	Very high	83.7	Confident	0 Å²	0	82.5 Å²	82.5	0%	0	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	177.7	174.3	68.8	-77.3	0	0	0	109.9	L10 V14 V19 Y33 L84 A87 V89	L10-F12 HydrophobicContact CD2-CD1 4.41Å; L10-F12 HydrophobicContact CD2-CE1 4.24Å; L10-F12 HydrophobicContact CG-CD1 4.08Å; L10-F12 HydrophobicContact CG-CE1 4.34Å; F12-V14 HydrophobicContact CD2-CG2 3.87Å; F12-V14 HydrophobicContact CE2-CG2 3.36Å; F12-V14 HydrophobicContact CZ-CG2 4.31Å; F12-V19 HydrophobicContact CD1-CB 4.13Å; F12-V19 HydrophobicContact CD1-CG1 4.15Å; F12-V19 HydrophobicContact CE1-CB 3.89Å; F12-V19 HydrophobicContact CE1-CG1 3.48Å; F12-V19 VanDerWaalsContact CE1-CG1 3.48Å; F12-V19 HydrophobicContact CE2-CB 4.33Å; F12-V19 HydrophobicContact CE2-CG1 4.46Å; F12-V19 HydrophobicContact CE2-CG2 4.43Å; F12-V19 HydrophobicContact CG-CB 4.44Å; F12-V19 HydrophobicContact CZ-CB 4Å; F12-V19 HydrophobicContact CZ-CG1 3.67Å; F12-V19 HydrophobicContact CZ-CG2 4.39Å; F12-V19 PolarHBondContact N-O 3.47Å; F12-V19 VanDerWaalsContact N-O 3.08Å; F12-V19 PolarHBondContact O-N 3.46Å; F12-V19 VanDerWaalsContact O-O 3.11Å; F12-Y33 HydrophobicContact CE1-CE1 4.41Å; F12-Y33 HydrophobicContact CZ-CD1 4.05Å; F12-Y33 AromaticContact CZ-CE1 3.85Å; F12-Y33 HydrophobicContact CZ-CE1 3.85Å; F12-L84 HydrophobicContact CB-CB 4.25Å; F12-L84 VanDerWaalsContact CB-O 3.23Å; F12-L84 WeakPolarHBondContact CB-O 3.36Å; F12-L84 HydrophobicContact CD2-CB 4.41Å; F12-L84 HydrophobicContact CD2-CD1 4.49Å; F12-L84 HydrophobicContact CE2-CD1 4.43Å; F12-L84 HydrophobicContact CG-CB 4.25Å; F12-A87 WeakPolarHBondContact CA-O 3.33Å; F12-A87 WeakPolarHBondContact CB-O 3.29Å; F12-V89 HydrophobicContact CD2-CG2 4.34Å
13	F	98.8	Very high	86.3	Confident	9 Å²	9	83.8 Å²	83.8	4%	0.039	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.9	179.2	-78.6	-110.5	0	0	0	111.3	K17 K18 A87 A88 V89 P219 E221 L222	F13-K17 CarbonylContact C-O 3.52Å; F13-K17 VanDerWaalsContact CA-O 3.3Å; F13-K17 WeakPolarHBondContact CA-O 3.36Å; F13-K18 HydrophobicContact CD1-CB 4.27Å; F13-K18 HydrophobicContact CE1-CB 3.71Å; F13-K18 HydrophobicContact CE1-CG 4.37Å; F13-K18 HydrophobicContact CE2-CB 4.26Å; F13-K18 HydrophobicContact CE2-CG 4.05Å; F13-K18 HydrophobicContact CZ-CB 3.7Å; F13-K18 HydrophobicContact CZ-CD 4.18Å; F13-K18 HydrophobicContact CZ-CG 3.86Å; F13-A87 PolarHBondContact N-O 2.9Å; F13-A88 HydrophobicContact CB-CB 4.11Å; F13-V89 PolarHBondContact O-N 2.9Å; F13-P219 HydrophobicContact CB-CG 3.85Å; F13-P219 HydrophobicContact CD1-CB 3.65Å; F13-P219 HydrophobicContact CD1-CG 3.56Å; F13-P219 HydrophobicContact CD2-CB 4.15Å; F13-P219 HydrophobicContact CD2-CG 4.28Å; F13-P219 HydrophobicContact CE1-CB 3.72Å; F13-P219 HydrophobicContact CE1-CG 4.16Å; F13-P219 HydrophobicContact CE2-CB 4.21Å; F13-P219 HydrophobicContact CG-CB 3.88Å; F13-P219 HydrophobicContact CG-CG 3.63Å; F13-P219 HydrophobicContact CZ-CB 4.01Å; F13-E221 HydrophobicContact CE2-CB 4.34Å; F13-E221 HydrophobicContact CZ-CB 4.01Å; F13-E221 HydrophobicContact CZ-CG 4.4Å; F13-L222 HydrophobicContact CB-CD1 4.39Å; F13-L222 HydrophobicContact CD2-CD1 3.69Å; F13-L222 HydrophobicContact CD2-CD2 3.75Å; F13-L222 HydrophobicContact CD2-CG 3.65Å; F13-L222 HydrophobicContact CE2-CD1 4.35Å; F13-L222 HydrophobicContact CE2-CD2 3.79Å; F13-L222 HydrophobicContact CE2-CG 3.79Å; F13-L222 HydrophobicContact CG-CD1 4.27Å
14	V	98.8	Very high	88.7	Confident	6 Å²	6	79.6 Å²	79.6	4%	0.036	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	119.7	171.2	-176.5	0	0	0	0	109	F12 G16 K17 V19 L34 I38 L40 V89	F12-V14 HydrophobicContact CD2-CG2 3.87Å; F12-V14 HydrophobicContact CE2-CG2 3.36Å; F12-V14 HydrophobicContact CZ-CG2 4.31Å; V14-G16 PolarHBondContact O-N 3.41Å; V14-K17 PolarHBondContact N-O 2.94Å; V14-K17 WeakPolarHBondContact O-CB 3.26Å; V14-K17 PolarHBondContact O-N 2.93Å; V14-V19 HydrophobicContact CB-CG2 4.28Å; V14-V19 HydrophobicContact CG2-CG2 3.88Å; V14-L34 HydrophobicContact CG1-CD2 3.76Å; V14-L34 HydrophobicContact CG2-CD2 4.37Å; V14-I38 HydrophobicContact CB-CD1 4.26Å; V14-I38 HydrophobicContact CG1-CD1 4.41Å; V14-I38 HydrophobicContact CG2-CD1 3.72Å; V14-L40 HydrophobicContact CG1-CD1 3.55Å; V14-V89 CarbonylContact C-O 3.48Å; V14-V89 WeakPolarHBondContact CA-O 3.45Å; V14-V89 HydrophobicContact CG2-CB 4.3Å
15	N	98.4	Very high	91	Very high	31 Å²	31	78 Å²	78	17%	0.166	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	43.7	-178.2	-57.1	-19.2	0	0	0	112.5	K17 V89 T91 G94	N15-K17 PolarHBondContact O-N 3.33Å; N15-V89 PolarHBondContact N-O 3.13Å; N15-T91 VanDerWaalsContact CG-OG1 3.26Å; N15-T91 PolarHBondContact ND2-OG1 3.43Å; N15-T91 PolarHBondContact OD1-N 2.91Å; N15-T91 PolarHBondContact OD1-OG1 3.45Å; N15-G94 PolarHBondContact ND2-N 3.16Å; N15-G94 WeakPolarHBondContact OD1-CA 3.48Å
16	G	97.4	Very high	93.2	Very high	50 Å²	50	72.9 Å²	72.9	52%	0.515	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	-3.4	-179.1	0	0	0	0	0	115.6	V14	V14-G16 PolarHBondContact O-N 3.41Å
17	K	98	Very high	95.1	Very high	163 Å²	163	72 Å²	72	71%	0.709	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	133.3	176.1	-61.8	-174.3	179.4	-176.6	0	111	F13 V14 N15	F13-K17 CarbonylContact C-O 3.52Å; F13-K17 VanDerWaalsContact CA-O 3.3Å; F13-K17 WeakPolarHBondContact CA-O 3.36Å; V14-K17 PolarHBondContact N-O 2.94Å; V14-K17 WeakPolarHBondContact O-CB 3.26Å; V14-K17 PolarHBondContact O-N 2.93Å; N15-K17 PolarHBondContact O-N 3.33Å
18	K	98.2	Very high	96.8	Very high	104 Å²	104	70.2 Å²	70.2	45%	0.452	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	135.2	175.8	-170.7	173.2	-172.3	160.7	0	110.7	I11 F13 E221	I11-K18 HydrophobicContact CG2-CG 4.41Å; F13-K18 HydrophobicContact CD1-CB 4.27Å; F13-K18 HydrophobicContact CE1-CB 3.71Å; F13-K18 HydrophobicContact CE1-CG 4.37Å; F13-K18 HydrophobicContact CE2-CB 4.26Å; F13-K18 HydrophobicContact CE2-CG 4.05Å; F13-K18 HydrophobicContact CZ-CB 3.7Å; F13-K18 HydrophobicContact CZ-CD 4.18Å; F13-K18 HydrophobicContact CZ-CG 3.86Å; K18-E221 WeakPolarHBondContact CD-OE2 3.38Å; K18-E221 WeakPolarHBondContact CE-OE2 3.31Å; K18-E221 IonicContact NZ-OE2 2.76Å; K18-E221 PolarHBondContact NZ-OE2 3.46Å
19	V	98.1	Very high	97.3	Very high	20 Å²	20	64.8 Å²	64.8	12%	0.121	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.5	171.9	179.5	0	0	0	0	107.5	I11 F12 V14 Y33 I38	I11-V19 WeakPolarHBondContact CA-O 3.2Å; F12-V19 HydrophobicContact CD1-CB 4.13Å; F12-V19 HydrophobicContact CD1-CG1 4.15Å; F12-V19 HydrophobicContact CE1-CB 3.89Å; F12-V19 HydrophobicContact CE1-CG1 3.48Å; F12-V19 VanDerWaalsContact CE1-CG1 3.48Å; F12-V19 HydrophobicContact CE2-CB 4.33Å; F12-V19 HydrophobicContact CE2-CG1 4.46Å; F12-V19 HydrophobicContact CE2-CG2 4.43Å; F12-V19 HydrophobicContact CG-CB 4.44Å; F12-V19 HydrophobicContact CZ-CB 4Å; F12-V19 HydrophobicContact CZ-CG1 3.67Å; F12-V19 HydrophobicContact CZ-CG2 4.39Å; F12-V19 PolarHBondContact N-O 3.47Å; F12-V19 VanDerWaalsContact N-O 3.08Å; F12-V19 PolarHBondContact O-N 3.46Å; F12-V19 VanDerWaalsContact O-O 3.11Å; V14-V19 HydrophobicContact CB-CG2 4.28Å; V14-V19 HydrophobicContact CG2-CG2 3.88Å; V19-Y33 HydrophobicContact CG1-CE1 3.98Å; V19-I38 HydrophobicContact CG2-CD1 4.12Å
20	T	97.7	Very high	97.5	Very high	61 Å²	61	61.4 Å²	61.4	37%	0.374	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	112.8	174.6	-63.2	0	0	0	0	107.8	E9 L10 I11	E9-T20 HydrophobicContact CB-CG2 4.17Å; E9-T20 HydrophobicContact CG-CG2 4.41Å; E9-T20 WeakPolarHBondContact OE2-CG2 3.48Å; L10-T20 WeakPolarHBondContact O-CA 3.17Å; I11-T20 HydrophobicContact CG1-CG2 4.35Å
21	E	96.9	Very high	97.6	Very high	42 Å²	42	61.2 Å²	61.2	20%	0.196	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.1	178.5	179.4	57.4	-100	0	0	109.6	L10 N23 A24 Y33	L10-E21 HydrophobicContact CB-CB 4.19Å; L10-E21 HydrophobicContact CD2-CB 4.43Å; L10-E21 PolarHBondContact N-O 2.9Å; L10-E21 PolarHBondContact O-N 2.83Å; E21-N23 PolarHBondContact OE1-N 2.83Å; E21-N23 VanDerWaalsContact OE1-N 3.13Å; E21-A24 HydrophobicContact CG-CB 3.82Å; E21-Y33 HydrophobicContact CG-CE2 4.42Å; E21-Y33 WeakPolarHBondContact OE2-CE2 3.45Å; E21-Y33 PolarHBondContact OE2-OH 3.43Å
22	R	95.9	Very high	97.7	Very high	156 Å²	156	64 Å²	64	59%	0.589	33%	0.331	S	S	*	.	S	Bend	trans	-87.4	-26.2	-175.2	-67	-175.4	171.3	161.7	2.5	112.9	E9	E9-R22 HydrophobicContact CG-CG 4.11Å; E9-R22 WeakPolarHBondContact OE1-CG 3.24Å; E9-R22 IonicContact OE1-CZ 3.65Å; E9-R22 IonicContact OE1-NE 2.82Å; E9-R22 PolarHBondContact OE1-NE 3.43Å; E9-R22 IonicContact OE1-NH2 3.66Å
23	N	94.8	Very high	97.7	Very high	136 Å²	136	64.6 Å²	64.6	73%	0.727	33%	0.334	S	S	*	.	S	Bend	trans	-124.8	57.7	-176.4	-55.4	-70.9	0	0	0	108.9	E21 D25	E21-N23 PolarHBondContact OE1-N 2.83Å; E21-N23 VanDerWaalsContact OE1-N 3.13Å; N23-D25 PolarHBondContact O-N 3.15Å
24	A	96.1	Very high	97.7	Very high	33 Å²	33	64.2 Å²	64.2	27%	0.273	33%	0.332	S	S	.	.			trans	-68.8	116	-177.1	0	0	0	0	0	110.6	L10 E21 P26 I81	L10-A24 HydrophobicContact CB-CB 3.96Å; L10-A24 HydrophobicContact CD2-CB 3.83Å; E21-A24 HydrophobicContact CG-CB 3.82Å; A24-P26 WeakPolarHBondContact O-CD 3.35Å; A24-I81 HydrophobicContact CB-CD1 4.45Å
25	D	96.9	Very high	97.7	Very high	76 Å²	76	67.2 Å²	67.2	41%	0.406	34%	0.343	S	S	.	.			trans	-80.8	119.6	172.1	-179.4	-10.6	0	0	0	109.7	N23 E27 V28	N23-D25 PolarHBondContact O-N 3.15Å; D25-E27 PolarHBondContact O-N 3.01Å; D25-E27 VanDerWaalsContact O-N 3.16Å; D25-E27 WeakPolarHBondContact OD1-CB 3.35Å; D25-E27 PolarHBondContact OD1-N 2.88Å; D25-V28 HydrophobicContact CB-CB 4.47Å; D25-V28 HydrophobicContact CB-CG2 3.75Å; D25-V28 WeakPolarHBondContact O-CB 3.42Å; D25-V28 PolarHBondContact O-N 2.62Å
26	P	96.4	Very high	97.7	Very high	94 Å²	94	72 Å²	72	61%	0.61	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.2	178.9	-23.9	35	0	0	0	115.1	A24 V28	A24-P26 WeakPolarHBondContact O-CD 3.35Å; P26-V28 VanDerWaalsContact C-N 3.31Å
27	E	97.2	Very high	97.8	Very high	174 Å²	174	73.2 Å²	73.2	81%	0.813	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-15	178.4	-60.4	-168.1	158.7	0	0	112.6	D25 N29	D25-E27 PolarHBondContact O-N 3.01Å; D25-E27 VanDerWaalsContact O-N 3.16Å; D25-E27 WeakPolarHBondContact OD1-CB 3.35Å; D25-E27 PolarHBondContact OD1-N 2.88Å; E27-N29 PolarHBondContact O-N 3.34Å
28	V	98.3	Very high	97.8	Very high	28 Å²	28	68 Å²	68	17%	0.17	34%	0.339	C	S	.	.			trans	-76.3	117.4	-178.6	175.3	0	0	0	0	110.7	D25 P26 F32 Y33 I81	D25-V28 HydrophobicContact CB-CB 4.47Å; D25-V28 HydrophobicContact CB-CG2 3.75Å; D25-V28 WeakPolarHBondContact O-CB 3.42Å; D25-V28 PolarHBondContact O-N 2.62Å; P26-V28 VanDerWaalsContact C-N 3.31Å; V28-F32 HydrophobicContact CG1-CD1 3.8Å; V28-Y33 HydrophobicContact CG1-CD2 4.03Å; V28-I81 HydrophobicContact CB-CD1 3.98Å; V28-I81 HydrophobicContact CB-CG1 4.31Å; V28-I81 HydrophobicContact CG1-CD1 3.9Å; V28-I81 HydrophobicContact CG1-CG1 4.41Å; V28-I81 HydrophobicContact CG1-CG2 4.26Å; V28-I81 WeakPolarHBondContact O-CG1 3.27Å; V28-I81 PolarHBondContact O-N 2.89Å
29	N	98.7	Very high	97.8	Very high	51 Å²	51	71.8 Å²	71.8	27%	0.273	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-83.1	157.3	170.7	65.5	69	0	0	0	112.6	E27 L31 F32 Y33 V79	E27-N29 PolarHBondContact O-N 3.34Å; N29-L31 VanDerWaalsContact C-N 3.31Å; N29-L31 PolarHBondContact O-N 2.9Å; N29-L31 WeakPolarHBondContact OD1-CB 3.48Å; N29-L31 PolarHBondContact OD1-N 3.03Å; N29-F32 PolarHBondContact O-N 3.47Å; N29-F32 PolarHBondContact OD1-N 2.92Å; N29-Y33 PolarHBondContact O-N 2.82Å; N29-V79 CarbonylContact C-O 3.6Å; N29-V79 WeakPolarHBondContact CA-O 3.19Å
30	L	98.9	Very high	97.8	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-59.7	-39.1	-177.7	177.1	60.5	0	0	0	112.2	F32 Y33 L34 V57 A76 V79 L84 V89	L30-F32 PolarHBondContact O-N 3Å; L30-Y33 PolarHBondContact O-N 2.76Å; L30-L34 HydrophobicContact CD1-CD1 4.06Å; L30-L34 HydrophobicContact CD1-CD2 4.17Å; L30-L34 HydrophobicContact CD1-CG 3.77Å; L30-L34 HydrophobicContact CD2-CD1 4.47Å; L30-L34 HydrophobicContact CG-CD1 3.87Å; L30-L34 HydrophobicContact CG-CG 4.09Å; L30-L34 WeakPolarHBondContact O-CB 3.44Å; L30-L34 VanDerWaalsContact O-CG 3.24Å; L30-L34 WeakPolarHBondContact O-CG 3.37Å; L30-L34 PolarHBondContact O-N 3.22Å; L30-V57 HydrophobicContact CD2-CG2 3.94Å; L30-A76 HydrophobicContact CB-CB 4.25Å; L30-A76 HydrophobicContact CD2-CB 4.06Å; L30-A76 HydrophobicContact CG-CB 4.09Å; L30-A76 PolarHBondContact N-O 3.47Å; L30-V79 HydrophobicContact CB-CB 4.11Å; L30-V79 HydrophobicContact CB-CG1 4.27Å; L30-V79 WeakPolarHBondContact CB-O 3.48Å; L30-V79 HydrophobicContact CD2-CB 4.46Å; L30-V79 HydrophobicContact CD2-CG1 4.33Å; L30-V79 PolarHBondContact N-O 3.48Å; L30-L84 HydrophobicContact CB-CD1 4.2Å; L30-L84 HydrophobicContact CD1-CD1 3.64Å; L30-L84 HydrophobicContact CD2-CD1 3.9Å; L30-L84 HydrophobicContact CG-CD1 4.11Å; L30-V89 HydrophobicContact CD1-CG2 4.35Å; L30-V89 HydrophobicContact CD2-CG1 4.07Å; L30-V89 HydrophobicContact CD2-CG2 4.07Å
31	L	98.9	Very high	97.9	Very high	6 Å²	6	73.1 Å²	73.1	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-61.4	-45	179.4	178.3	62.6	0	0	0	111.9	N29 R35 T43 Y45 C55 A76 C77	N29-L31 VanDerWaalsContact C-N 3.31Å; N29-L31 PolarHBondContact O-N 2.9Å; N29-L31 WeakPolarHBondContact OD1-CB 3.48Å; N29-L31 PolarHBondContact OD1-N 3.03Å; L31-R35 HydrophobicContact CD1-CG 4.21Å; L31-R35 WeakPolarHBondContact O-CB 3.38Å; L31-R35 VanDerWaalsContact O-CG 3.27Å; L31-R35 WeakPolarHBondContact O-CG 3.31Å; L31-R35 PolarHBondContact O-N 3.37Å; L31-T43 HydrophobicContact CD1-CG2 3.73Å; L31-Y45 HydrophobicContact CD2-CD2 3.86Å; L31-Y45 HydrophobicContact CD2-CG 4.37Å; L31-C55 HydrophobicContact CD1-CB 4.07Å; L31-C55 HydrophobicContact CD2-CB 3.96Å; L31-A76 HydrophobicContact CB-CB 3.95Å; L31-A76 PolarHBondContact N-O 3Å; L31-C77 HydrophobicContact CB-CB 4.37Å; L31-C77 HydrophobicContact CD2-CB 3.75Å
32	F	98.8	Very high	97.9	Very high	104 Å²	104	71.6 Å²	71.6	46%	0.456	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-49.6	173.9	177.1	-88.7	0	0	0	110.4	V28 N29 L30 L34 R35 K36 V37	V28-F32 HydrophobicContact CG1-CD1 3.8Å; N29-F32 PolarHBondContact O-N 3.47Å; N29-F32 PolarHBondContact OD1-N 2.92Å; L30-F32 PolarHBondContact O-N 3Å; F32-L34 PolarHBondContact O-N 3.36Å; F32-R35 PolarHBondContact O-N 3.45Å; F32-K36 HydrophobicContact CD1-CB 4.41Å; F32-K36 HydrophobicContact CD2-CB 4.35Å; F32-K36 HydrophobicContact CD2-CG 3.86Å; F32-K36 HydrophobicContact CE1-CB 4.11Å; F32-K36 HydrophobicContact CE2-CB 4.05Å; F32-K36 HydrophobicContact CE2-CG 3.7Å; F32-K36 HydrophobicContact CG-CG 4.4Å; F32-K36 HydrophobicContact CZ-CB 3.92Å; F32-K36 HydrophobicContact CZ-CG 4.1Å; F32-K36 WeakPolarHBondContact O-CB 3.44Å; F32-K36 PolarHBondContact O-N 2.92Å; F32-V37 HydrophobicContact CE1-CG2 4.41Å
33	Y	98.8	Very high	98.1	Very high	13 Å²	13	64.3 Å²	64.3	5%	0.051	33%	0.325	C	S	.	.	I	π-helix	trans	-59	-49.1	-177	-161	-91	0	0	0	112.2	F12 V19 E21 V28 N29 L30 R35 V37 I38 I81	F12-Y33 HydrophobicContact CE1-CE1 4.41Å; F12-Y33 HydrophobicContact CZ-CD1 4.05Å; F12-Y33 AromaticContact CZ-CE1 3.85Å; F12-Y33 HydrophobicContact CZ-CE1 3.85Å; V19-Y33 HydrophobicContact CG1-CE1 3.98Å; E21-Y33 HydrophobicContact CG-CE2 4.42Å; E21-Y33 WeakPolarHBondContact OE2-CE2 3.45Å; E21-Y33 PolarHBondContact OE2-OH 3.43Å; V28-Y33 HydrophobicContact CG1-CD2 4.03Å; N29-Y33 PolarHBondContact O-N 2.82Å; L30-Y33 PolarHBondContact O-N 2.76Å; Y33-R35 VanDerWaalsContact C-N 3.33Å; Y33-R35 PolarHBondContact O-N 3Å; Y33-V37 HydrophobicContact CD1-CB 4.39Å; Y33-V37 HydrophobicContact CD2-CB 4.12Å; Y33-V37 HydrophobicContact CD2-CG1 4.45Å; Y33-V37 HydrophobicContact CD2-CG2 3.83Å; Y33-V37 HydrophobicContact CE1-CB 4.39Å; Y33-V37 HydrophobicContact CE1-CG1 4.26Å; Y33-V37 HydrophobicContact CE2-CB 4.14Å; Y33-V37 HydrophobicContact CE2-CG1 3.96Å; Y33-V37 HydrophobicContact CE2-CG2 4.06Å; Y33-V37 HydrophobicContact CG-CB 4.25Å; Y33-V37 HydrophobicContact CG-CG2 4.29Å; Y33-V37 WeakPolarHBondContact O-CA 3.49Å; Y33-V37 VanDerWaalsContact O-CB 3.31Å; Y33-V37 WeakPolarHBondContact O-CB 3.3Å; Y33-V37 PolarHBondContact O-N 3.49Å; Y33-I38 HydrophobicContact CD1-CD1 3.65Å; Y33-I38 HydrophobicContact CD1-CG1 3.7Å; Y33-I38 HydrophobicContact CE1-CD1 3.65Å; Y33-I38 HydrophobicContact CE1-CG1 3.63Å; Y33-I38 PolarHBondContact O-N 3.47Å; Y33-I81 HydrophobicContact CD2-CD1 3.69Å; Y33-I81 HydrophobicContact CD2-CG2 4.18Å; Y33-I81 HydrophobicContact CE2-CD1 3.9Å; Y33-I81 HydrophobicContact CG-CD1 4.47Å; Y33-I81 HydrophobicContact CG-CG2 3.93Å
34	L	98.9	Very high	98.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.301	C	S	.	.	I	π-helix	trans	-54.6	-48.6	176.3	-72.5	172.5	0	0	0	111.4	V14 L30 F32 I38 R39 L40 V57 T91	V14-L34 HydrophobicContact CG1-CD2 3.76Å; V14-L34 HydrophobicContact CG2-CD2 4.37Å; L30-L34 HydrophobicContact CD1-CD1 4.06Å; L30-L34 HydrophobicContact CD1-CD2 4.17Å; L30-L34 HydrophobicContact CD1-CG 3.77Å; L30-L34 HydrophobicContact CD2-CD1 4.47Å; L30-L34 HydrophobicContact CG-CD1 3.87Å; L30-L34 HydrophobicContact CG-CG 4.09Å; L30-L34 WeakPolarHBondContact O-CB 3.44Å; L30-L34 VanDerWaalsContact O-CG 3.24Å; L30-L34 WeakPolarHBondContact O-CG 3.37Å; L30-L34 PolarHBondContact O-N 3.22Å; F32-L34 PolarHBondContact O-N 3.36Å; L34-I38 HydrophobicContact CD2-CD1 4.29Å; L34-I38 CarbonylContact O-C 3.59Å; L34-R39 PolarHBondContact O-N 3.24Å; L34-L40 CarbonylContact C-O 3.34Å; L34-L40 HydrophobicContact CD2-CD1 4.32Å; L34-L40 PolarHBondContact O-N 3.3Å; L34-V57 HydrophobicContact CD1-CG1 4.14Å; L34-T91 HydrophobicContact CD1-CG2 3.83Å; L34-T91 HydrophobicContact CD2-CG2 3.88Å
35	R	98.8	Very high	98.4	Very high	70 Å²	70	65.2 Å²	65.2	26%	0.264	31%	0.313	S	S	.	.	I	π-helix	trans	-81.5	-38.9	-170.2	-66.3	175.2	60.2	68.8	6.5	113.6	L31 F32 Y33 L40 T41 T43	L31-R35 HydrophobicContact CD1-CG 4.21Å; L31-R35 WeakPolarHBondContact O-CB 3.38Å; L31-R35 VanDerWaalsContact O-CG 3.27Å; L31-R35 WeakPolarHBondContact O-CG 3.31Å; L31-R35 PolarHBondContact O-N 3.37Å; F32-R35 PolarHBondContact O-N 3.45Å; Y33-R35 VanDerWaalsContact C-N 3.33Å; Y33-R35 PolarHBondContact O-N 3Å; R35-L40 WeakPolarHBondContact CA-O 3.43Å; R35-T41 PolarHBondContact NH1-O 2.84Å; R35-T43 WeakPolarHBondContact CD-O 3.49Å; R35-T43 PolarHBondContact NH1-O 3.19Å
36	K	98.4	Very high	98.4	Very high	130 Å²	130	63.6 Å²	63.6	57%	0.565	32%	0.315	S	S	*	.	I	π-helix	trans	-99.5	-37.4	-170.3	-63.7	-62.6	-172.2	171.4	0	112.7	F32 R39	F32-K36 HydrophobicContact CD1-CB 4.41Å; F32-K36 HydrophobicContact CD2-CB 4.35Å; F32-K36 HydrophobicContact CD2-CG 3.86Å; F32-K36 HydrophobicContact CE1-CB 4.11Å; F32-K36 HydrophobicContact CE2-CB 4.05Å; F32-K36 HydrophobicContact CE2-CG 3.7Å; F32-K36 HydrophobicContact CG-CG 4.4Å; F32-K36 HydrophobicContact CZ-CB 3.92Å; F32-K36 HydrophobicContact CZ-CG 4.1Å; F32-K36 WeakPolarHBondContact O-CB 3.44Å; F32-K36 PolarHBondContact O-N 2.92Å; K36-R39 WeakPolarHBondContact O-CD 3.46Å
37	V	98.2	Very high	98.5	Very high	76 Å²	76	61.6 Å²	61.6	46%	0.461	30%	0.303	S	S	.	.	I	π-helix	trans	-91.2	-59.4	-179.4	-172.8	0	0	0	0	110.2	F32 Y33 R39	F32-V37 HydrophobicContact CE1-CG2 4.41Å; Y33-V37 HydrophobicContact CD1-CB 4.39Å; Y33-V37 HydrophobicContact CD2-CB 4.12Å; Y33-V37 HydrophobicContact CD2-CG1 4.45Å; Y33-V37 HydrophobicContact CD2-CG2 3.83Å; Y33-V37 HydrophobicContact CE1-CB 4.39Å; Y33-V37 HydrophobicContact CE1-CG1 4.26Å; Y33-V37 HydrophobicContact CE2-CB 4.14Å; Y33-V37 HydrophobicContact CE2-CG1 3.96Å; Y33-V37 HydrophobicContact CE2-CG2 4.06Å; Y33-V37 HydrophobicContact CG-CB 4.25Å; Y33-V37 HydrophobicContact CG-CG2 4.29Å; Y33-V37 WeakPolarHBondContact O-CA 3.49Å; Y33-V37 VanDerWaalsContact O-CB 3.31Å; Y33-V37 WeakPolarHBondContact O-CB 3.3Å; Y33-V37 PolarHBondContact O-N 3.49Å; V37-R39 PolarHBondContact O-N 3.19Å
38	I	98	Very high	98.5	Very high	55 Å²	55	54.6 Å²	54.6	28%	0.282	28%	0.277	S	S	.	.	S	Bend	trans	-78.6	-20.5	-177	-49.8	-175.5	0	0	0	112.5	V14 V19 Y33 L34 L40	V14-I38 HydrophobicContact CB-CD1 4.26Å; V14-I38 HydrophobicContact CG1-CD1 4.41Å; V14-I38 HydrophobicContact CG2-CD1 3.72Å; V19-I38 HydrophobicContact CG2-CD1 4.12Å; Y33-I38 HydrophobicContact CD1-CD1 3.65Å; Y33-I38 HydrophobicContact CD1-CG1 3.7Å; Y33-I38 HydrophobicContact CE1-CD1 3.65Å; Y33-I38 HydrophobicContact CE1-CG1 3.63Å; Y33-I38 PolarHBondContact O-N 3.47Å; L34-I38 HydrophobicContact CD2-CD1 4.29Å; L34-I38 CarbonylContact O-C 3.59Å; I38-L40 VanDerWaalsContact C-N 3.31Å; I38-L40 HydrophobicContact CG2-CD1 3.9Å; I38-L40 HydrophobicContact CG2-CG 3.95Å; I38-L40 PolarHBondContact O-N 2.98Å
39	R	98.6	Very high	98.5	Very high	183 Å²	183	55.3 Å²	55.3	69%	0.691	29%	0.29	S	S	*	.			trans	66.4	25.9	-178.6	-49.5	-66.4	-72.5	-137.7	-7.8	114.7	L34 K36 V37 T41	L34-R39 PolarHBondContact O-N 3.24Å; K36-R39 WeakPolarHBondContact O-CD 3.46Å; V37-R39 PolarHBondContact O-N 3.19Å; R39-T41 PolarHBondContact O-N 2.75Å
40	L	98.8	Very high	98.4	Very high	37 Å²	37	53.8 Å²	53.8	19%	0.194	29%	0.286	C	S	.	.			trans	-85	103.8	165.7	-66.3	174.4	0	0	0	109	V14 L34 R35 I38 E93	V14-L40 HydrophobicContact CG1-CD1 3.55Å; L34-L40 CarbonylContact C-O 3.34Å; L34-L40 HydrophobicContact CD2-CD1 4.32Å; L34-L40 PolarHBondContact O-N 3.3Å; R35-L40 WeakPolarHBondContact CA-O 3.43Å; I38-L40 VanDerWaalsContact C-N 3.31Å; I38-L40 HydrophobicContact CG2-CD1 3.9Å; I38-L40 HydrophobicContact CG2-CG 3.95Å; I38-L40 PolarHBondContact O-N 2.98Å; L40-E93 VanDerWaalsContact C-OE1 3.29Å; L40-E93 WeakPolarHBondContact CA-OE1 3.41Å; L40-E93 HydrophobicContact CD2-CB 4.2Å; L40-E93 HydrophobicContact CD2-CG 4.22Å
41	T	98.8	Very high	98.3	Very high	72 Å²	72	59.4 Å²	59.4	44%	0.442	32%	0.317	S	S	.	.			trans	-100.8	0.1	-169.6	64.5	0	0	0	0	113.6	R35 R39 K44 E93	R35-T41 PolarHBondContact NH1-O 2.84Å; R39-T41 PolarHBondContact O-N 2.75Å; T41-K44 WeakPolarHBondContact O-CD 3.39Å; T41-K44 WeakPolarHBondContact O-CE 3.43Å; T41-K44 PolarHBondContact O-NZ 2.79Å; T41-E93 PolarHBondContact N-OE1 3.13Å; T41-E93 VanDerWaalsContact N-OE1 3.1Å
42	G	98.8	Very high	98.3	Very high	10 Å²	10	60.1 Å²	60.1	10%	0.103	32%	0.322	C	S	.	.	S	Bend	trans	-61.4	-47.8	178.4	0	0	0	0	0	112.3	K44 E93 P122	G42-K44 WeakPolarHBondContact O-CD 3.37Å; G42-K44 WeakPolarHBondContact O-CE 3.49Å; G42-K44 WeakPolarHBondContact O-CG 3.42Å; G42-K44 PolarHBondContact O-N 3.39Å; G42-E93 WeakPolarHBondContact CA-OE1 3.25Å; G42-E93 PolarHBondContact N-OE1 2.86Å; G42-P122 WeakPolarHBondContact O-CB 3.47Å; G42-P122 VanDerWaalsContact O-CG 3.27Å; G42-P122 WeakPolarHBondContact O-CG 3.41Å
43	T	98.8	Very high	98.3	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.012	30%	0.301	C	S	.	.	S	Bend	trans	-66	127.8	171.6	-49.4	0	0	0	0	110.5	L31 R35 C55 V57 A76	L31-T43 HydrophobicContact CD1-CG2 3.73Å; R35-T43 WeakPolarHBondContact CD-O 3.49Å; R35-T43 PolarHBondContact NH1-O 3.19Å; T43-C55 HydrophobicContact CG2-CB 4.05Å; T43-C55 WeakPolarHBondContact CG2-O 3.49Å; T43-V57 HydrophobicContact CG2-CG1 3.8Å; T43-A76 HydrophobicContact CG2-CB 4.3Å
44	K	98.7	Very high	98.3	Very high	51 Å²	51	54.9 Å²	54.9	22%	0.222	30%	0.301	C	S	.	.			trans	-111	151	-168.9	-52.3	-54.7	-176.6	-172.2	0	112.8	T41 G42 A54 C55 F119 P122	T41-K44 WeakPolarHBondContact O-CD 3.39Å; T41-K44 WeakPolarHBondContact O-CE 3.43Å; T41-K44 PolarHBondContact O-NZ 2.79Å; G42-K44 WeakPolarHBondContact O-CD 3.37Å; G42-K44 WeakPolarHBondContact O-CE 3.49Å; G42-K44 WeakPolarHBondContact O-CG 3.42Å; G42-K44 PolarHBondContact O-N 3.39Å; K44-A54 HydrophobicContact CB-CB 4.41Å; K44-A54 PolarHBondContact N-O 3.46Å; K44-A54 CarbonylContact O-C 3.58Å; K44-C55 WeakPolarHBondContact O-CA 3.07Å; K44-C55 WeakPolarHBondContact O-CB 3.36Å; K44-C55 PolarHBondContact O-N 3.19Å; K44-F119 HydrophobicContact CB-CD1 4.3Å; K44-F119 HydrophobicContact CB-CE1 3.76Å; K44-F119 HydrophobicContact CB-CE2 4.32Å; K44-F119 HydrophobicContact CB-CZ 3.78Å; K44-F119 HydrophobicContact CG-CE1 4.42Å; K44-F119 HydrophobicContact CG-CE2 4.4Å; K44-F119 HydrophobicContact CG-CZ 4.34Å; K44-P122 HydrophobicContact CG-CG 4.35Å
45	Y	98.6	Very high	98.3	Very high	137 Å²	137	55 Å²	55	54%	0.537	30%	0.302	S	S	.	.			trans	-89.2	122	167.7	177.3	-88.4	0	0	0	109.3	L31 C47 F119	L31-Y45 HydrophobicContact CD2-CD2 3.86Å; L31-Y45 HydrophobicContact CD2-CG 4.37Å; Y45-C47 PolarHBondContact OH-O 2.86Å; Y45-F119 WeakPolarHBondContact O-CE1 3.42Å; Y45-F119 WeakPolarHBondContact O-CZ 3.19Å
46	G	98.2	Very high	98.3	Very high	43 Å²	43	52.1 Å²	52.1	44%	0.443	29%	0.292	S	S	.	.	S	Bend	trans	-111.8	-63.9	175.4	0	0	0	0	0	112.8
47	C	98.1	Very high	98.3	Very high	52 Å²	52	46 Å²	46	35%	0.351	27%	0.265	S	S	.	.			trans	-120.9	-27	-177.2	67.5	0	0	0	0	115.4	Y45 G49 C52	Y45-C47 PolarHBondContact OH-O 2.86Å; C47-G49 PolarHBondContact O-N 2.85Å; C47-C52 HydrophobicContact CB-CB 4.4Å
48	G	96.6	Very high	98.4	Very high	26 Å²	26	42.4 Å²	42.4	27%	0.268	24%	0.243	S	C	.	.	S	Bend	trans	80	-19.4	-174.9	0	0	0	0	0	115.8	L78	G48-L78 WeakPolarHBondContact O-CD2 3.34Å
49	G	97.5	Very high	98.4	Very high	44 Å²	44	40 Å²	40	45%	0.454	23%	0.231	S	C	.	.	S	Bend	trans	-86.1	-3.9	178.4	0	0	0	0	0	115.8	C47	C47-G49 PolarHBondContact O-N 2.85Å
50	G	97.5	Very high	98.4	Very high	18 Å²	18	31.5 Å²	31.5	19%	0.186	20%	0.2	C	C	.	.	S	Bend	trans	89.8	-5.5	-176.7	0	0	0	0	0	115.2
51	D	97.3	Very high	98.4	Very high	119 Å²	119	33.7 Å²	33.7	64%	0.636	21%	0.205	S	C	*	.			trans	-76.6	-28.3	-171.6	-50.8	-54.6	0	0	0	115.2
52	C	98.4	Very high	98.3	Very high	20 Å²	20	32.1 Å²	32.1	14%	0.135	19%	0.191	C	C	.	.	S	Bend	trans	-93.4	-14.5	-167.2	71.1	0	0	0	0	115.5	C47 A54 G149 L151	C47-C52 HydrophobicContact CB-CB 4.4Å; C52-A54 PolarHBondContact O-N 3.34Å; C52-G149 CarbonylContact C-O 3.42Å; C52-L151 HydrophobicContact CB-CB 4.42Å; C52-L151 HydrophobicContact CB-CD1 4.25Å; C52-L151 PolarHBondContact O-N 3.08Å
53	G	98.7	Very high	98.1	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.021	20%	0.203	C	C	.	.			trans	65.2	-1.5	-177.2	0	0	0	0	0	116.4	C55 T56 G123 G149 N150	G53-C55 PolarHBondContact O-N 3.23Å; G53-T56 WeakPolarHBondContact O-CB 3.43Å; G53-T56 PolarHBondContact O-N 3.26Å; G53-T56 PolarHBondContact O-OG1 3.48Å; G53-G123 WeakPolarHBondContact O-CA 3.36Å; G53-G149 WeakPolarHBondContact CA-O 3.23Å; G53-G149 PolarHBondContact N-O 3.27Å; G53-G149 VanDerWaalsContact N-O 3.12Å; G53-N150 PolarHBondContact O-OD1 2.97Å
54	A	98.8	Very high	97.7	Very high	6 Å²	6	36.7 Å²	36.7	5%	0.05	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.1	-179.2	0	0	0	0	0	113.8	K44 C52	K44-A54 HydrophobicContact CB-CB 4.41Å; K44-A54 PolarHBondContact N-O 3.46Å; K44-A54 CarbonylContact O-C 3.58Å; C52-A54 PolarHBondContact O-N 3.34Å
55	C	98.9	Very high	97.4	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.02	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	15.5	178.3	67.9	0	0	0	0	114.1	L31 T43 K44 G53 V57 A76 C77	L31-C55 HydrophobicContact CD1-CB 4.07Å; L31-C55 HydrophobicContact CD2-CB 3.96Å; T43-C55 HydrophobicContact CG2-CB 4.05Å; T43-C55 WeakPolarHBondContact CG2-O 3.49Å; K44-C55 WeakPolarHBondContact O-CA 3.07Å; K44-C55 WeakPolarHBondContact O-CB 3.36Å; K44-C55 PolarHBondContact O-N 3.19Å; G53-C55 PolarHBondContact O-N 3.23Å; C55-V57 PolarHBondContact O-N 3.27Å; C55-A76 HydrophobicContact CB-CB 4.34Å; C55-A76 VanDerWaalsContact O-CB 3.31Å; C55-A76 WeakPolarHBondContact O-CB 3.48Å; C55-A76 PolarHBondContact O-N 3.04Å; C55-A76 VanDerWaalsContact O-N 3.07Å; C55-A76 PolarHBondContact SG-N 3.35Å; C55-C77 PolarHBondContact SG-SG 3.45Å
56	T	98.9	Very high	97.2	Very high	9 Å²	9	38 Å²	38	6%	0.055	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	131.7	-179.2	-60.8	0	0	0	0	111.5	G53 A74 M126	G53-T56 WeakPolarHBondContact O-CB 3.43Å; G53-T56 PolarHBondContact O-N 3.26Å; G53-T56 PolarHBondContact O-OG1 3.48Å; T56-A74 WeakPolarHBondContact CA-O 3.47Å; T56-M126 HydrophobicContact CG2-CB 4.04Å; T56-M126 WeakPolarHBondContact O-CB 3.41Å; T56-M126 WeakPolarHBondContact O-CG 3.47Å
57	V	98.9	Very high	97	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	162.6	171.5	-64	0	0	0	0	109	L30 L34 T43 C55 S73 A74 A76 V89 T91	L30-V57 HydrophobicContact CD2-CG2 3.94Å; L34-V57 HydrophobicContact CD1-CG1 4.14Å; T43-V57 HydrophobicContact CG2-CG1 3.8Å; C55-V57 PolarHBondContact O-N 3.27Å; V57-S73 CarbonylContact O-C 3.53Å; V57-S73 WeakPolarHBondContact O-CA 3.4Å; V57-A74 PolarHBondContact N-O 3.24Å; V57-A74 PolarHBondContact O-N 3.19Å; V57-A76 HydrophobicContact CG1-CB 4.2Å; V57-A76 HydrophobicContact CG2-CB 4.07Å; V57-V89 HydrophobicContact CB-CG1 4.29Å; V57-V89 HydrophobicContact CG2-CG1 4.31Å; V57-T91 HydrophobicContact CG1-CG2 4.03Å
58	M	98.9	Very high	96.9	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.5	170.9	-173.3	-179.6	75.7	0	0	109.5	H71 V89 T90 M126 Y129 T130 R133	M58-H71 HydrophobicContact CG-CB 4.35Å; M58-H71 HydrophobicContact SD-CB 3.92Å; M58-V89 CarbonylContact O-C 3.45Å; M58-V89 WeakPolarHBondContact O-CA 3.5Å; M58-T90 HydrophobicContact CE-CG2 4.49Å; M58-T90 PolarHBondContact N-O 2.74Å; M58-T90 PolarHBondContact O-N 3.42Å; M58-M126 HydrophobicContact CB-CE 3.87Å; M58-Y129 HydrophobicContact CE-CD1 4.47Å; M58-Y129 HydrophobicContact CE-CE1 3.7Å; M58-Y129 HydrophobicContact SD-CD1 4.04Å; M58-Y129 HydrophobicContact SD-CE1 3.78Å; M58-T130 WeakPolarHBondContact CB-OG1 3.38Å; M58-T130 HydrophobicContact CG-CG2 3.92Å; M58-T130 HydrophobicContact SD-CG2 4.23Å; M58-R133 HydrophobicContact SD-CB 4.27Å; M58-R133 HydrophobicContact SD-CG 3.99Å
59	I	98.9	Very high	97	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.6	170.4	-59.3	177.2	0	0	0	107.8	F72 A74 V79 L84 A87	I59-F72 HydrophobicContact CB-CD2 4.37Å; I59-F72 HydrophobicContact CB-CE1 4.23Å; I59-F72 HydrophobicContact CB-CE2 3.83Å; I59-F72 HydrophobicContact CB-CZ 3.75Å; I59-F72 HydrophobicContact CD1-CE2 4.14Å; I59-F72 HydrophobicContact CG1-CE2 4.46Å; I59-F72 HydrophobicContact CG2-CE1 4.08Å; I59-F72 HydrophobicContact CG2-CE2 4.19Å; I59-F72 HydrophobicContact CG2-CZ 3.62Å; I59-F72 PolarHBondContact N-O 2.83Å; I59-F72 PolarHBondContact O-N 2.83Å; I59-A74 HydrophobicContact CD1-CB 3.64Å; I59-A74 HydrophobicContact CG1-CB 4.24Å; I59-V79 HydrophobicContact CD1-CG1 4.33Å; I59-V79 HydrophobicContact CD1-CG2 4.31Å; I59-L84 HydrophobicContact CD1-CD2 3.92Å; I59-L84 HydrophobicContact CG2-CD2 4.48Å; I59-A87 HydrophobicContact CG2-CB 4.16Å
60	S	98.8	Very high	97	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.028	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.5	175.7	-48.1	0	0	0	0	110.5	S70 H71 A88	S60-S70 WeakPolarHBondContact CA-O 3.29Å; S60-H71 WeakPolarHBondContact CB-ND1 3.37Å; S60-H71 PolarHBondContact OG-ND1 3.4Å; S60-A88 PolarHBondContact N-O 3.21Å; S60-A88 PolarHBondContact O-N 2.9Å
61	R	98.1	Very high	97	Very high	82 Å²	82	52.8 Å²	52.8	31%	0.309	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.2	174.4	-70	-168.7	179.8	-90.2	0.1	110.8	I69 S70 S83 H85 A87	R61-I69 CarbonylContact O-C 3.42Å; R61-I69 WeakPolarHBondContact O-CA 3.03Å; R61-S70 PolarHBondContact N-O 3.4Å; R61-S70 PolarHBondContact O-N 3.07Å; R61-S70 PolarHBondContact O-OG 3.36Å; R61-S83 PolarHBondContact NH2-O 2.86Å; R61-H85 PolarHBondContact NH1-O 3.23Å; R61-H85 VanDerWaalsContact NH1-O 3.08Å; R61-A87 HydrophobicContact CG-CB 4.11Å
62	Y	97.4	Very high	97.1	Very high	39 Å²	39	51.3 Å²	51.3	15%	0.153	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.1	170.5	177.8	-106.9	0	0	0	109.2	P64 K67 I69 M223	Y62-P64 HydrophobicContact CE1-CB 4.16Å; Y62-K67 HydrophobicContact CE2-CB 4.47Å; Y62-I69 HydrophobicContact CD2-CG1 3.93Å; Y62-M223 HydrophobicContact CD1-CB 4.23Å; Y62-M223 HydrophobicContact CD1-CG 4.38Å; Y62-M223 HydrophobicContact CD2-CE 4.05Å; Y62-M223 HydrophobicContact CD2-CG 4.19Å; Y62-M223 HydrophobicContact CE1-CB 4.31Å; Y62-M223 HydrophobicContact CE2-CE 3.67Å; Y62-M223 HydrophobicContact CG-CB 4.44Å; Y62-M223 HydrophobicContact CG-CG 4.09Å
63	D	93.8	Very high	97.1	Very high	63 Å²	63	52.9 Å²	52.9	34%	0.337	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	114.9	170.2	170.2	14.3	0	0	0	109	I65 S66 K67 R68	D63-I65 PolarHBondContact O-N 3.03Å; D63-I65 WeakPolarHBondContact OD1-CB 3.17Å; D63-I65 PolarHBondContact OD1-N 3.22Å; D63-S66 WeakPolarHBondContact CB-OG 3.46Å; D63-S66 VanDerWaalsContact CG-OG 3.23Å; D63-S66 WeakPolarHBondContact OD2-CB 3.32Å; D63-S66 PolarHBondContact OD2-N 3.17Å; D63-S66 PolarHBondContact OD2-OG 3.38Å; D63-K67 VanDerWaalsContact O-CA 3.23Å; D63-K67 WeakPolarHBondContact O-CA 3.39Å; D63-K67 PolarHBondContact O-N 3.24Å; D63-R68 PolarHBondContact N-O 3.1Å
64	P	91.6	Very high	97.1	Very high	46 Å²	46	53.8 Å²	53.8	30%	0.299	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.3	-178.4	28.6	-34.6	0	0	0	113.4	Y62	Y62-P64 HydrophobicContact CE1-CB 4.16Å
65	I	92.4	Very high	97.1	Very high	156 Å²	156	55.2 Å²	55.2	80%	0.8	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-55.5	-179.1	-58.7	175.7	0	0	0	109.5	D63 K67	D63-I65 PolarHBondContact O-N 3.03Å; D63-I65 WeakPolarHBondContact OD1-CB 3.17Å; D63-I65 PolarHBondContact OD1-N 3.22Å; I65-K67 VanDerWaalsContact C-N 3.27Å; I65-K67 PolarHBondContact O-N 3.24Å
66	S	94.1	Very high	97.1	Very high	59 Å²	59	55 Å²	55	41%	0.413	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-14.5	178.4	66.6	0	0	0	0	113.6	D63 R68	D63-S66 WeakPolarHBondContact CB-OG 3.46Å; D63-S66 VanDerWaalsContact CG-OG 3.23Å; D63-S66 WeakPolarHBondContact OD2-CB 3.32Å; D63-S66 PolarHBondContact OD2-N 3.17Å; D63-S66 PolarHBondContact OD2-OG 3.38Å; S66-R68 WeakPolarHBondContact O-CG 3.27Å; S66-R68 PolarHBondContact O-N 3.19Å; S66-R68 PolarHBondContact OG-N 3.46Å
67	K	94	Very high	97.1	Very high	161 Å²	161	55.3 Å²	55.3	70%	0.7	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	29.8	-172.2	-55.3	-179.1	179.8	177.4	0	113	Y62 D63 I65	Y62-K67 HydrophobicContact CE2-CB 4.47Å; D63-K67 VanDerWaalsContact O-CA 3.23Å; D63-K67 WeakPolarHBondContact O-CA 3.39Å; D63-K67 PolarHBondContact O-N 3.24Å; I65-K67 VanDerWaalsContact C-N 3.27Å; I65-K67 PolarHBondContact O-N 3.24Å
68	R	95.9	Very high	97.1	Very high	188 Å²	188	60 Å²	60	71%	0.709	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	149.8	-179.9	-55.9	-173.1	92.6	-176	5.3	110.9	D63 S66	D63-R68 PolarHBondContact N-O 3.1Å; S66-R68 WeakPolarHBondContact O-CG 3.27Å; S66-R68 PolarHBondContact O-N 3.19Å; S66-R68 PolarHBondContact OG-N 3.46Å
69	I	97.4	Very high	97.1	Very high	62 Å²	62	60.9 Å²	60.9	32%	0.318	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.4	168.9	-59.2	157	0	0	0	106.8	R61 Y62 H71 F218	R61-I69 CarbonylContact O-C 3.42Å; R61-I69 WeakPolarHBondContact O-CA 3.03Å; Y62-I69 HydrophobicContact CD2-CG1 3.93Å; I69-H71 VanDerWaalsContact CG2-CE1 3.43Å; I69-H71 WeakPolarHBondContact CG2-CE1 3.32Å; I69-F218 HydrophobicContact CD1-CB 3.48Å; I69-F218 VanDerWaalsContact CD1-CB 3.48Å; I69-F218 HydrophobicContact CD1-CD1 4.09Å; I69-F218 HydrophobicContact CD1-CG 3.78Å; I69-F218 HydrophobicContact CG1-CB 4.28Å; I69-F218 HydrophobicContact CG1-CD1 4.23Å; I69-F218 HydrophobicContact CG1-CD2 4.44Å; I69-F218 HydrophobicContact CG1-CG 4.06Å; I69-F218 HydrophobicContact CG2-CB 4.4Å; I69-F218 HydrophobicContact CG2-CD2 3.69Å; I69-F218 HydrophobicContact CG2-CE2 4.19Å; I69-F218 HydrophobicContact CG2-CG 4.09Å
70	S	97.8	Very high	97	Very high	56 Å²	56	63.4 Å²	63.4	39%	0.392	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.8	172.2	56.5	0	0	0	0	109.5	S60 R61	S60-S70 WeakPolarHBondContact CA-O 3.29Å; R61-S70 PolarHBondContact N-O 3.4Å; R61-S70 PolarHBondContact O-N 3.07Å; R61-S70 PolarHBondContact O-OG 3.36Å
71	H	98.5	Very high	97	Very high	26 Å²	26	63.3 Å²	63.3	12%	0.12	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.4	175.1	-57.7	-63.3	0	0	0	109	M58 S60 I69 R133 N134	M58-H71 HydrophobicContact CG-CB 4.35Å; M58-H71 HydrophobicContact SD-CB 3.92Å; S60-H71 WeakPolarHBondContact CB-ND1 3.37Å; S60-H71 PolarHBondContact OG-ND1 3.4Å; I69-H71 VanDerWaalsContact CG2-CE1 3.43Å; I69-H71 WeakPolarHBondContact CG2-CE1 3.32Å; H71-R133 HydrophobicContact CB-CB 4.49Å; H71-R133 PolarHBondContact CE1-NH2 3.42Å; H71-R133 VanDerWaalsContact CE1-NH2 3.29Å; H71-R133 PolarHBondContact NE2-NH2 3.31Å; H71-N134 PolarHBondContact O-ND2 3.39Å; H71-N134 PolarHBondContact O-OD1 3.2Å
72	F	98.6	Very high	97	Very high	88 Å²	88	62 Å²	62	39%	0.386	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.2	177.2	60.9	-87.4	0	0	0	111.3	I59	I59-F72 HydrophobicContact CB-CD2 4.37Å; I59-F72 HydrophobicContact CB-CE1 4.23Å; I59-F72 HydrophobicContact CB-CE2 3.83Å; I59-F72 HydrophobicContact CB-CZ 3.75Å; I59-F72 HydrophobicContact CD1-CE2 4.14Å; I59-F72 HydrophobicContact CG1-CE2 4.46Å; I59-F72 HydrophobicContact CG2-CE1 4.08Å; I59-F72 HydrophobicContact CG2-CE2 4.19Å; I59-F72 HydrophobicContact CG2-CZ 3.62Å; I59-F72 PolarHBondContact N-O 2.83Å; I59-F72 PolarHBondContact O-N 2.83Å
73	S	98.5	Very high	97	Very high	54 Å²	54	63 Å²	63	38%	0.378	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	141.7	179	54	0	0	0	0	110	V57	V57-S73 CarbonylContact O-C 3.53Å; V57-S73 WeakPolarHBondContact O-CA 3.4Å
74	A	98.7	Very high	97.3	Very high	20 Å²	20	60 Å²	60	17%	0.165	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.6	176.5	0	0	0	0	0	111.5	T56 V57 I59 A76 V79	T56-A74 WeakPolarHBondContact CA-O 3.47Å; V57-A74 PolarHBondContact N-O 3.24Å; V57-A74 PolarHBondContact O-N 3.19Å; I59-A74 HydrophobicContact CD1-CB 3.64Å; I59-A74 HydrophobicContact CG1-CB 4.24Å; A74-A76 PolarHBondContact O-N 3.22Å; A74-V79 HydrophobicContact CB-CG2 4.02Å
75	T	98.8	Very high	97.5	Very high	36 Å²	36	62.1 Å²	62.1	22%	0.221	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	104.7	174.1	45.9	0	0	0	0	109.8	C77 L78	T75-C77 PolarHBondContact O-N 3.01Å; T75-L78 PolarHBondContact O-N 2.84Å
76	A	98.8	Very high	97.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.3	-172.8	0	0	0	0	0	114.3	L30 L31 T43 C55 V57 A74 L78	L30-A76 HydrophobicContact CB-CB 4.25Å; L30-A76 HydrophobicContact CD2-CB 4.06Å; L30-A76 HydrophobicContact CG-CB 4.09Å; L30-A76 PolarHBondContact N-O 3.47Å; L31-A76 HydrophobicContact CB-CB 3.95Å; L31-A76 PolarHBondContact N-O 3Å; T43-A76 HydrophobicContact CG2-CB 4.3Å; C55-A76 HydrophobicContact CB-CB 4.34Å; C55-A76 VanDerWaalsContact O-CB 3.31Å; C55-A76 WeakPolarHBondContact O-CB 3.48Å; C55-A76 PolarHBondContact O-N 3.04Å; C55-A76 VanDerWaalsContact O-N 3.07Å; C55-A76 PolarHBondContact SG-N 3.35Å; V57-A76 HydrophobicContact CG1-CB 4.2Å; V57-A76 HydrophobicContact CG2-CB 4.07Å; A74-A76 PolarHBondContact O-N 3.22Å; A76-L78 PolarHBondContact O-N 3.04Å
77	C	98.7	Very high	97.9	Very high	15 Å²	15	52.8 Å²	52.8	10%	0.101	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-21.4	176.2	63.2	0	0	0	0	113.8	L31 C55 T75	L31-C77 HydrophobicContact CB-CB 4.37Å; L31-C77 HydrophobicContact CD2-CB 3.75Å; C55-C77 PolarHBondContact SG-SG 3.45Å; T75-C77 PolarHBondContact O-N 3.01Å
78	L	98.7	Very high	98.1	Very high	98 Å²	98	45.4 Å²	45.4	51%	0.513	25%	0.251	S	S	.	.	S	Bend	trans	-107.3	-1.5	-178.5	-60.9	-175.6	0	0	0	113.4	G48 T75 A76 P80	G48-L78 WeakPolarHBondContact O-CD2 3.34Å; T75-L78 PolarHBondContact O-N 2.84Å; A76-L78 PolarHBondContact O-N 3.04Å; L78-P80 VanDerWaalsContact O-CD 3.31Å; L78-P80 WeakPolarHBondContact O-CD 3.43Å
79	V	98.8	Very high	98.3	Very high	19 Å²	19	36.5 Å²	36.5	12%	0.115	22%	0.217	C	C	.	.			trans	-94.5	111.5	-178.5	177.7	0	0	0	0	109.1	N29 L30 I59 A74 L84	N29-V79 CarbonylContact C-O 3.6Å; N29-V79 WeakPolarHBondContact CA-O 3.19Å; L30-V79 HydrophobicContact CB-CB 4.11Å; L30-V79 HydrophobicContact CB-CG1 4.27Å; L30-V79 WeakPolarHBondContact CB-O 3.48Å; L30-V79 HydrophobicContact CD2-CB 4.46Å; L30-V79 HydrophobicContact CD2-CG1 4.33Å; L30-V79 PolarHBondContact N-O 3.48Å; I59-V79 HydrophobicContact CD1-CG1 4.33Å; I59-V79 HydrophobicContact CD1-CG2 4.31Å; A74-V79 HydrophobicContact CB-CG2 4.02Å; V79-L84 HydrophobicContact CG1-CD1 4.1Å; V79-L84 HydrophobicContact CG1-CD2 3.82Å; V79-L84 HydrophobicContact CG1-CG 3.95Å
80	P	98.6	Very high	98.4	Very high	59 Å²	59	34 Å²	34	38%	0.383	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-68.6	137.9	172.2	-15.7	31.6	0	0	0	110	L78 C82 S83	L78-P80 VanDerWaalsContact O-CD 3.31Å; L78-P80 WeakPolarHBondContact O-CD 3.43Å; P80-C82 PolarHBondContact O-N 3.02Å; P80-S83 WeakPolarHBondContact O-CB 3.33Å; P80-S83 PolarHBondContact O-N 3.49Å; P80-S83 PolarHBondContact O-OG 3.45Å
81	I	98.4	Very high	98.4	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-61.9	-32.9	-178.6	62.8	175.4	0	0	0	112.3	L10 A24 V28 Y33 S83 L84	L10-I81 HydrophobicContact CD2-CB 3.97Å; L10-I81 HydrophobicContact CD2-CD1 4.11Å; L10-I81 HydrophobicContact CD2-CG1 3.87Å; L10-I81 WeakPolarHBondContact CD2-O 3.4Å; A24-I81 HydrophobicContact CB-CD1 4.45Å; V28-I81 HydrophobicContact CB-CD1 3.98Å; V28-I81 HydrophobicContact CB-CG1 4.31Å; V28-I81 HydrophobicContact CG1-CD1 3.9Å; V28-I81 HydrophobicContact CG1-CG1 4.41Å; V28-I81 HydrophobicContact CG1-CG2 4.26Å; V28-I81 WeakPolarHBondContact O-CG1 3.27Å; V28-I81 PolarHBondContact O-N 2.89Å; Y33-I81 HydrophobicContact CD2-CD1 3.69Å; Y33-I81 HydrophobicContact CD2-CG2 4.18Å; Y33-I81 HydrophobicContact CE2-CD1 3.9Å; Y33-I81 HydrophobicContact CG-CD1 4.47Å; Y33-I81 HydrophobicContact CG-CG2 3.93Å; I81-S83 PolarHBondContact O-N 3.46Å; I81-S83 VanDerWaalsContact O-N 3.13Å; I81-L84 VanDerWaalsContact O-CB 3.32Å; I81-L84 WeakPolarHBondContact O-CB 3.46Å; I81-L84 PolarHBondContact O-N 2.89Å
82	C	98	Very high	98.4	Very high	55 Å²	55	31.1 Å²	31.1	37%	0.372	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-62.4	-22	178.3	-62.5	0	0	0	0	113	P80 L84	P80-C82 PolarHBondContact O-N 3.02Å; C82-L84 VanDerWaalsContact C-N 3.27Å; C82-L84 PolarHBondContact O-N 2.87Å
83	S	97.8	Very high	98.4	Very high	59 Å²	59	29.8 Å²	29.8	41%	0.413	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-75.2	-16	174.3	74.3	0	0	0	0	113.1	R61 P80 I81 H85	R61-S83 PolarHBondContact NH2-O 2.86Å; P80-S83 WeakPolarHBondContact O-CB 3.33Å; P80-S83 PolarHBondContact O-N 3.49Å; P80-S83 PolarHBondContact O-OG 3.45Å; I81-S83 PolarHBondContact O-N 3.46Å; I81-S83 VanDerWaalsContact O-N 3.13Å; S83-H85 PolarHBondContact O-N 2.83Å
84	L	98.3	Very high	98.4	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-89	2.5	-170.5	-65.2	171	0	0	0	114.3	F12 L30 I59 V79 I81 C82 G86 A87 V89	F12-L84 HydrophobicContact CB-CB 4.25Å; F12-L84 VanDerWaalsContact CB-O 3.23Å; F12-L84 WeakPolarHBondContact CB-O 3.36Å; F12-L84 HydrophobicContact CD2-CB 4.41Å; F12-L84 HydrophobicContact CD2-CD1 4.49Å; F12-L84 HydrophobicContact CE2-CD1 4.43Å; F12-L84 HydrophobicContact CG-CB 4.25Å; L30-L84 HydrophobicContact CB-CD1 4.2Å; L30-L84 HydrophobicContact CD1-CD1 3.64Å; L30-L84 HydrophobicContact CD2-CD1 3.9Å; L30-L84 HydrophobicContact CG-CD1 4.11Å; I59-L84 HydrophobicContact CD1-CD2 3.92Å; I59-L84 HydrophobicContact CG2-CD2 4.48Å; V79-L84 HydrophobicContact CG1-CD1 4.1Å; V79-L84 HydrophobicContact CG1-CD2 3.82Å; V79-L84 HydrophobicContact CG1-CG 3.95Å; I81-L84 VanDerWaalsContact O-CB 3.32Å; I81-L84 WeakPolarHBondContact O-CB 3.46Å; I81-L84 PolarHBondContact O-N 2.89Å; C82-L84 VanDerWaalsContact C-N 3.27Å; C82-L84 PolarHBondContact O-N 2.87Å; L84-G86 PolarHBondContact O-N 2.77Å; L84-A87 HydrophobicContact CD2-CB 4.39Å; L84-A87 VanDerWaalsContact O-CB 3.25Å; L84-A87 WeakPolarHBondContact O-CB 3.49Å; L84-A87 PolarHBondContact O-N 2.94Å; L84-V89 HydrophobicContact CD1-CG2 4.08Å; L84-V89 HydrophobicContact CD2-CG2 4.2Å
85	H	97.3	Very high	98.4	Very high	91 Å²	91	27.8 Å²	27.8	42%	0.421	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	130.1	176.9	-164.9	95.6	0	0	0	110.4	E9 L10 I11 R61 S83 A87	E9-H85 PolarHBondContact O-CE1 2.85Å; E9-H85 PolarHBondContact O-ND1 3.32Å; L10-H85 HydrophobicContact CD1-CB 3.73Å; I11-H85 PolarHBondContact N-ND1 3.35Å; I11-H85 WeakPolarHBondContact O-CA 3.41Å; R61-H85 PolarHBondContact NH1-O 3.23Å; R61-H85 VanDerWaalsContact NH1-O 3.08Å; S83-H85 PolarHBondContact O-N 2.83Å; H85-A87 VanDerWaalsContact C-N 3.28Å; H85-A87 PolarHBondContact O-N 3.34Å
86	G	96.3	Very high	98.4	Very high	18 Å²	18	26.4 Å²	26.4	19%	0.186	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	8.2	-178.2	0	0	0	0	0	116	I11 L84	I11-G86 PolarHBondContact O-N 2.95Å; L84-G86 PolarHBondContact O-N 2.77Å
87	A	98.3	Very high	98.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.173	C	C	.	.			trans	-103.3	162.6	179.9	0	0	0	0	0	113	F12 F13 I59 R61 L84 H85 L222	F12-A87 WeakPolarHBondContact CA-O 3.33Å; F12-A87 WeakPolarHBondContact CB-O 3.29Å; F13-A87 PolarHBondContact N-O 2.9Å; I59-A87 HydrophobicContact CG2-CB 4.16Å; R61-A87 HydrophobicContact CG-CB 4.11Å; L84-A87 HydrophobicContact CD2-CB 4.39Å; L84-A87 VanDerWaalsContact O-CB 3.25Å; L84-A87 WeakPolarHBondContact O-CB 3.49Å; L84-A87 PolarHBondContact O-N 2.94Å; H85-A87 VanDerWaalsContact C-N 3.28Å; H85-A87 PolarHBondContact O-N 3.34Å; A87-L222 WeakPolarHBondContact O-CD1 3.47Å
88	A	98.8	Very high	98.3	Very high	7 Å²	7	33.6 Å²	33.6	6%	0.058	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.5	170.2	0	0	0	0	0	111	F13 S60 F218 P219 L222	F13-A88 HydrophobicContact CB-CB 4.11Å; S60-A88 PolarHBondContact N-O 3.21Å; S60-A88 PolarHBondContact O-N 2.9Å; A88-F218 HydrophobicContact CB-CD2 4.34Å; A88-F218 HydrophobicContact CB-CE2 4.02Å; A88-P219 HydrophobicContact CB-CG 4.08Å; A88-L222 HydrophobicContact CB-CD1 3.89Å
89	V	98.9	Very high	98.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.8	175.3	179.6	0	0	0	0	109.4	F12 F13 V14 N15 L30 V57 M58 L84 T91	F12-V89 HydrophobicContact CD2-CG2 4.34Å; F13-V89 PolarHBondContact O-N 2.9Å; V14-V89 CarbonylContact C-O 3.48Å; V14-V89 WeakPolarHBondContact CA-O 3.45Å; V14-V89 HydrophobicContact CG2-CB 4.3Å; N15-V89 PolarHBondContact N-O 3.13Å; L30-V89 HydrophobicContact CD1-CG2 4.35Å; L30-V89 HydrophobicContact CD2-CG1 4.07Å; L30-V89 HydrophobicContact CD2-CG2 4.07Å; V57-V89 HydrophobicContact CB-CG1 4.29Å; V57-V89 HydrophobicContact CG2-CG1 4.31Å; M58-V89 CarbonylContact O-C 3.45Å; M58-V89 WeakPolarHBondContact O-CA 3.5Å; L84-V89 HydrophobicContact CD1-CG2 4.08Å; L84-V89 HydrophobicContact CD2-CG2 4.2Å; V89-T91 HydrophobicContact CG1-CG2 4.28Å
90	T	98.9	Very high	98	Very high	10 Å²	10	42.5 Å²	42.5	6%	0.061	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.2	170.2	-54.6	0	0	0	0	109.4	M58 I95 M126 Y129 L216	M58-T90 HydrophobicContact CE-CG2 4.49Å; M58-T90 PolarHBondContact N-O 2.74Å; M58-T90 PolarHBondContact O-N 3.42Å; T90-I95 HydrophobicContact CG2-CG2 3.69Å; T90-M126 HydrophobicContact CG2-CE 4.22Å; T90-M126 WeakPolarHBondContact O-CE 3.24Å; T90-Y129 HydrophobicContact CG2-CE1 4.34Å; T90-L216 HydrophobicContact CG2-CD1 3.61Å
91	T	98.9	Very high	97.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.252	C	S	.	.			trans	-111.6	174.5	178.8	58.4	0	0	0	0	110.3	N15 L34 V57 V89 E93 G94	N15-T91 VanDerWaalsContact CG-OG1 3.26Å; N15-T91 PolarHBondContact ND2-OG1 3.43Å; N15-T91 PolarHBondContact OD1-N 2.91Å; N15-T91 PolarHBondContact OD1-OG1 3.45Å; L34-T91 HydrophobicContact CD1-CG2 3.83Å; L34-T91 HydrophobicContact CD2-CG2 3.88Å; V57-T91 HydrophobicContact CG1-CG2 4.03Å; V89-T91 HydrophobicContact CG1-CG2 4.28Å; T91-E93 PolarHBondContact O-N 3.16Å; T91-E93 PolarHBondContact OG1-OE2 3.3Å; T91-G94 WeakPolarHBondContact O-CA 3.42Å; T91-G94 PolarHBondContact O-N 3.43Å
92	V	98.9	Very high	97.8	Very high	21 Å²	21	48.7 Å²	48.7	13%	0.127	27%	0.268	C	S	.	.	H	α-helix	trans	-59.1	-32.4	179.9	66.4	0	0	0	0	112.2	G94 I95 Q106 P122 V125 M126	V92-G94 VanDerWaalsContact C-N 3.27Å; V92-G94 PolarHBondContact O-N 3.46Å; V92-I95 WeakPolarHBondContact O-CG1 3.38Å; V92-Q106 PolarHBondContact O-NE2 2.93Å; V92-P122 HydrophobicContact CB-CB 4.19Å; V92-P122 HydrophobicContact CG1-CB 3.98Å; V92-P122 HydrophobicContact CG1-CG 4.49Å; V92-P122 HydrophobicContact CG2-CB 4.39Å; V92-V125 HydrophobicContact CG2-CB 4.48Å; V92-V125 HydrophobicContact CG2-CG1 4.07Å; V92-M126 HydrophobicContact CB-CG 4.34Å; V92-M126 HydrophobicContact CB-SD 4.33Å; V92-M126 PolarHBondContact N-SD 2.62Å
93	E	98.8	Very high	97.8	Very high	59 Å²	59	46.8 Å²	46.8	28%	0.276	25%	0.253	S	S	.	.	H	α-helix	trans	-70.8	-23.4	175.4	-59.1	97.1	136.4	0	0	113	L40 T41 G42 T91	L40-E93 VanDerWaalsContact C-OE1 3.29Å; L40-E93 WeakPolarHBondContact CA-OE1 3.41Å; L40-E93 HydrophobicContact CD2-CB 4.2Å; L40-E93 HydrophobicContact CD2-CG 4.22Å; T41-E93 PolarHBondContact N-OE1 3.13Å; T41-E93 VanDerWaalsContact N-OE1 3.1Å; G42-E93 WeakPolarHBondContact CA-OE1 3.25Å; G42-E93 PolarHBondContact N-OE1 2.86Å; T91-E93 PolarHBondContact O-N 3.16Å; T91-E93 PolarHBondContact OG1-OE2 3.3Å
94	G	98.4	Very high	97.8	Very high	15 Å²	15	44.2 Å²	44.2	16%	0.155	24%	0.235	C	C	.	.	H	α-helix	trans	-73.7	-37.8	-177.7	0	0	0	0	0	113	N15 T91 V92 G96 L216	N15-G94 PolarHBondContact ND2-N 3.16Å; N15-G94 WeakPolarHBondContact OD1-CA 3.48Å; T91-G94 WeakPolarHBondContact O-CA 3.42Å; T91-G94 PolarHBondContact O-N 3.43Å; V92-G94 VanDerWaalsContact C-N 3.27Å; V92-G94 PolarHBondContact O-N 3.46Å; G94-G96 VanDerWaalsContact C-N 3.33Å; G94-L216 WeakPolarHBondContact O-CD1 3.47Å
95	I	98.5	Very high	97.9	Very high	17 Å²	17	44.3 Å²	44.3	9%	0.087	24%	0.235	C	C	.	.	H	α-helix	trans	-78.7	-19.6	-175	71.5	171.5	0	0	0	112.9	T90 V92 H103 Q106 V125 M126 Y129	T90-I95 HydrophobicContact CG2-CG2 3.69Å; V92-I95 WeakPolarHBondContact O-CG1 3.38Å; I95-H103 HydrophobicContact CB-CB 4.32Å; I95-H103 HydrophobicContact CD1-CB 3.96Å; I95-H103 HydrophobicContact CG1-CB 3.97Å; I95-Q106 HydrophobicContact CD1-CG 4.06Å; I95-Q106 HydrophobicContact CG1-CG 4.42Å; I95-V125 HydrophobicContact CD1-CG1 3.45Å; I95-V125 VanDerWaalsContact CD1-CG1 3.45Å; I95-M126 HydrophobicContact CD1-SD 4.37Å; I95-M126 HydrophobicContact CG2-CE 4.4Å; I95-M126 HydrophobicContact CG2-SD 4.24Å; I95-Y129 HydrophobicContact CB-CD2 4.18Å; I95-Y129 HydrophobicContact CB-CE2 3.98Å; I95-Y129 HydrophobicContact CD1-CD2 3.97Å; I95-Y129 HydrophobicContact CD1-CG 4.17Å; I95-Y129 HydrophobicContact CG2-CD1 3.75Å; I95-Y129 HydrophobicContact CG2-CD2 3.79Å; I95-Y129 HydrophobicContact CG2-CE1 3.53Å; I95-Y129 HydrophobicContact CG2-CE2 3.6Å; I95-Y129 HydrophobicContact CG2-CG 3.87Å; I95-Y129 VanDerWaalsContact CG2-CZ 3.47Å
96	G	97.8	Very high	97.9	Very high	7 Å²	7	41.3 Å²	41.3	7%	0.072	22%	0.222	C	C	.	.			trans	166.2	160	-178	0	0	0	0	0	113.4	G94 R101 Q106	G94-G96 VanDerWaalsContact C-N 3.33Å; G96-R101 CarbonylContact C-O 3.36Å; G96-R101 WeakPolarHBondContact CA-O 3.49Å; G96-Q106 PolarHBondContact O-NE2 3.03Å; G96-Q106 PolarHBondContact O-OE1 2.94Å
97	S	98.1	Very high	98	Very high	38 Å²	38	41.5 Å²	41.5	27%	0.266	22%	0.218	S	C	.	.			trans	-152.2	164.7	177.6	80.8	0	0	0	0	111.5	K99 T100 R101	S97-K99 PolarHBondContact O-N 3.24Å; S97-K99 PolarHBondContact OG-N 3.08Å; S97-T100 PolarHBondContact N-OG1 3.21Å; S97-T100 CarbonylContact O-C 3.6Å; S97-T100 PolarHBondContact O-N 3.46Å; S97-T100 PolarHBondContact OG-N 3.4Å; S97-T100 PolarHBondContact OG-OG1 3.14Å; S97-R101 PolarHBondContact N-O 3.42Å; S97-R101 CarbonylContact O-C 3.55Å
98	T	97.7	Very high	98	Very high	129 Å²	129	42.6 Å²	42.6	79%	0.791	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.8	172.4	56.1	0	0	0	0	113.7	I102	T98-I102 HydrophobicContact CG2-CD1 4.23Å
99	K	96.8	Very high	98	Very high	197 Å²	197	42.4 Å²	42.4	86%	0.857	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-20.2	174.9	-65.1	-175.6	177.8	-177.2	0	112.7	S97	S97-K99 PolarHBondContact O-N 3.24Å; S97-K99 PolarHBondContact OG-N 3.08Å
100	T	94.7	Very high	98	Very high	107 Å²	107	45.1 Å²	45.1	66%	0.656	24%	0.243	S	C	*	.	S	Bend	trans	-121	-133	-179	55.7	0	0	0	0	108	S97	S97-T100 PolarHBondContact N-OG1 3.21Å; S97-T100 CarbonylContact O-C 3.6Å; S97-T100 PolarHBondContact O-N 3.46Å; S97-T100 PolarHBondContact OG-N 3.4Å; S97-T100 PolarHBondContact OG-OG1 3.14Å
101	R	94.9	Very high	97.9	Very high	124 Å²	124	48.9 Å²	48.9	47%	0.468	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-97.4	138.5	170.7	-176.6	179.3	178	-168.3	-1	109	G96 S97	G96-R101 CarbonylContact C-O 3.36Å; G96-R101 WeakPolarHBondContact CA-O 3.49Å; S97-R101 PolarHBondContact N-O 3.42Å; S97-R101 CarbonylContact O-C 3.55Å
102	I	97.6	Very high	97.8	Very high	67 Å²	67	48.9 Å²	48.9	34%	0.344	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-81.4	134.1	171.1	-63.4	175.5	0	0	0	108.5	T98 Q106 E107	T98-I102 HydrophobicContact CG2-CD1 4.23Å; I102-Q106 HydrophobicContact CG2-CB 3.66Å; I102-E107 HydrophobicContact CG2-CB 4.13Å
103	H	98.5	Very high	97.8	Very high	15 Å²	15	52.4 Å²	52.4	7%	0.069	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-71.1	143.9	176.6	-168	-97.9	0	0	0	110.8	I95 V105 Q106 E107 Y129 E215	I95-H103 HydrophobicContact CB-CB 4.32Å; I95-H103 HydrophobicContact CD1-CB 3.96Å; I95-H103 HydrophobicContact CG1-CB 3.97Å; H103-V105 WeakPolarHBondContact ND1-CB 3.45Å; H103-V105 WeakPolarHBondContact ND1-CG2 3.32Å; H103-V105 PolarHBondContact ND1-N 2.71Å; H103-V105 VanDerWaalsContact ND1-N 3.17Å; H103-V105 PolarHBondContact O-N 3.08Å; H103-V105 VanDerWaalsContact O-N 3.07Å; H103-Q106 HydrophobicContact CB-CB 4.5Å; H103-Q106 HydrophobicContact CB-CG 4.17Å; H103-Q106 WeakPolarHBondContact O-CA 3.49Å; H103-Q106 WeakPolarHBondContact O-CB 3.45Å; H103-Q106 PolarHBondContact O-N 3.45Å; H103-E107 PolarHBondContact O-N 3.23Å; H103-Y129 AromaticContact CE1-CD2 3.6Å; H103-Y129 AromaticContact CE1-CE2 3.85Å; H103-Y129 AromaticContact ND1-CD2 3.98Å; H103-Y129 AromaticContact NE2-CD2 3.88Å; H103-Y129 AromaticContact NE2-CE2 3.64Å; H103-E215 IonicContact CE1-OE1 3.99Å; H103-E215 IonicContact NE2-OE1 3.16Å; H103-E215 PolarHBondContact NE2-OE1 2.76Å; H103-E215 VanDerWaalsContact NE2-OE1 3.16Å; H103-E215 IonicContact NE2-OE2 3.88Å
104	P	98.4	Very high	97.8	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.032	26%	0.26	C	S	.	.	H	α-helix	trans	-50.8	-36.3	176.7	-31.3	37.3	0	0	0	114	Q106 E107 R108 F167 Q208 L210	P104-Q106 PolarHBondContact O-N 2.75Å; P104-E107 PolarHBondContact O-N 3.06Å; P104-R108 WeakPolarHBondContact O-CB 3.32Å; P104-R108 WeakPolarHBondContact O-CG 3.25Å; P104-R108 PolarHBondContact O-N 3.46Å; P104-F167 HydrophobicContact CB-CE1 4.04Å; P104-F167 HydrophobicContact CB-CZ 4.18Å; P104-Q208 HydrophobicContact CG-CB 4.43Å; P104-L210 HydrophobicContact CG-CD1 4.33Å
105	V	98.6	Very high	97.8	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-44.4	175.1	178	0	0	0	0	112	H103 I109 V125 I128 L132 F167	H103-V105 WeakPolarHBondContact ND1-CB 3.45Å; H103-V105 WeakPolarHBondContact ND1-CG2 3.32Å; H103-V105 PolarHBondContact ND1-N 2.71Å; H103-V105 VanDerWaalsContact ND1-N 3.17Å; H103-V105 PolarHBondContact O-N 3.08Å; H103-V105 VanDerWaalsContact O-N 3.07Å; V105-I109 VanDerWaalsContact O-CG2 3.32Å; V105-I109 WeakPolarHBondContact O-CG2 3.27Å; V105-I109 PolarHBondContact O-N 2.9Å; V105-V125 HydrophobicContact CG1-CB 4.29Å; V105-V125 HydrophobicContact CG1-CG1 4Å; V105-V125 HydrophobicContact CG1-CG2 4.31Å; V105-I128 HydrophobicContact CG1-CB 3.87Å; V105-I128 HydrophobicContact CG1-CG2 3.79Å; V105-I128 HydrophobicContact CG2-CG2 3.94Å; V105-L132 HydrophobicContact CG2-CD1 3.45Å; V105-L132 VanDerWaalsContact CG2-CD1 3.45Å; V105-F167 HydrophobicContact CB-CZ 4.46Å; V105-F167 HydrophobicContact CG2-CE2 4.07Å; V105-F167 HydrophobicContact CG2-CZ 3.84Å
106	Q	98.8	Very high	97.8	Very high	29 Å²	29	56.3 Å²	56.3	14%	0.136	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-41.3	177.9	-66.3	171.1	-26.4	0	0	111.2	V92 I95 G96 I102 H103 P104 I109 A110 V125	V92-Q106 PolarHBondContact O-NE2 2.93Å; I95-Q106 HydrophobicContact CD1-CG 4.06Å; I95-Q106 HydrophobicContact CG1-CG 4.42Å; G96-Q106 PolarHBondContact O-NE2 3.03Å; G96-Q106 PolarHBondContact O-OE1 2.94Å; I102-Q106 HydrophobicContact CG2-CB 3.66Å; H103-Q106 HydrophobicContact CB-CB 4.5Å; H103-Q106 HydrophobicContact CB-CG 4.17Å; H103-Q106 WeakPolarHBondContact O-CA 3.49Å; H103-Q106 WeakPolarHBondContact O-CB 3.45Å; H103-Q106 PolarHBondContact O-N 3.45Å; P104-Q106 PolarHBondContact O-N 2.75Å; Q106-I109 WeakPolarHBondContact O-CG2 3.43Å; Q106-A110 WeakPolarHBondContact O-CB 3.46Å; Q106-A110 PolarHBondContact O-N 3.26Å; Q106-V125 HydrophobicContact CG-CG1 3.87Å; Q106-V125 HydrophobicContact CG-CG2 4.48Å
107	E	98.6	Very high	97.8	Very high	21 Å²	21	60.1 Å²	60.1	10%	0.098	32%	0.315	C	S	.	.	H	α-helix	trans	-61.7	-53.4	177.3	176.7	-178.5	-145.9	0	0	111.1	I102 H103 P104 A110 K111 F207 Q208	I102-E107 HydrophobicContact CG2-CB 4.13Å; H103-E107 PolarHBondContact O-N 3.23Å; P104-E107 PolarHBondContact O-N 3.06Å; E107-A110 PolarHBondContact O-N 3.29Å; E107-K111 HydrophobicContact CG-CD 3.82Å; E107-K111 HydrophobicContact CG-CG 4.38Å; E107-K111 WeakPolarHBondContact O-CB 3.37Å; E107-K111 PolarHBondContact O-N 2.93Å; E107-K111 WeakPolarHBondContact OE1-CE 3.21Å; E107-K111 IonicContact OE1-NZ 2.74Å; E107-K111 PolarHBondContact OE1-NZ 3.16Å; E107-F207 HydrophobicContact CG-CD1 4.48Å; E107-Q208 WeakPolarHBondContact OE2-CB 3.1Å; E107-Q208 WeakPolarHBondContact OE2-CG 3.28Å; E107-Q208 PolarHBondContact OE2-N 2.9Å
108	R	98.4	Very high	97.8	Very high	23 Å²	23	59.6 Å²	59.6	9%	0.087	32%	0.315	C	S	.	.	H	α-helix	trans	-68.2	-39.4	-171.5	-65.4	-171	-162.7	-172	-1.7	112.2	P104 A110 G112 S163 S166 F167 F207 Q208	P104-R108 WeakPolarHBondContact O-CB 3.32Å; P104-R108 WeakPolarHBondContact O-CG 3.25Å; P104-R108 PolarHBondContact O-N 3.46Å; R108-A110 VanDerWaalsContact C-N 3.3Å; R108-A110 PolarHBondContact O-N 3.34Å; R108-G112 WeakPolarHBondContact O-CA 3.37Å; R108-G112 PolarHBondContact O-N 3.32Å; R108-S163 PolarHBondContact O-OG 2.83Å; R108-S166 WeakPolarHBondContact CD-OG 3.35Å; R108-S166 VanDerWaalsContact NH1-C 3.3Å; R108-S166 PolarHBondContact NH1-O 2.91Å; R108-S166 PolarHBondContact NH1-OG 3.04Å; R108-F167 HydrophobicContact CG-CZ 4.31Å; R108-F167 VanDerWaalsContact CZ-CE1 3.47Å; R108-F207 HydrophobicContact CB-CD2 4.45Å; R108-F207 HydrophobicContact CB-CE2 4.28Å; R108-F207 HydrophobicContact CB-CZ 4.39Å; R108-F207 HydrophobicContact CG-CB 4.05Å; R108-F207 HydrophobicContact CG-CD1 3.99Å; R108-F207 HydrophobicContact CG-CD2 3.6Å; R108-F207 HydrophobicContact CG-CE1 4.31Å; R108-F207 HydrophobicContact CG-CE2 3.91Å; R108-F207 HydrophobicContact CG-CG 3.63Å; R108-F207 HydrophobicContact CG-CZ 4.25Å; R108-Q208 PolarHBondContact NH2-O 2.93Å
109	I	98.5	Very high	97.9	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.015	30%	0.3	C	S	.	.	H	α-helix	trans	-67.1	-32.2	176.5	-160.1	168.6	0	0	0	112.4	V105 Q106 G114 T121 M124 V125 I160	V105-I109 VanDerWaalsContact O-CG2 3.32Å; V105-I109 WeakPolarHBondContact O-CG2 3.27Å; V105-I109 PolarHBondContact O-N 2.9Å; Q106-I109 WeakPolarHBondContact O-CG2 3.43Å; I109-G114 VanDerWaalsContact O-CA 3.22Å; I109-G114 WeakPolarHBondContact O-CA 3.5Å; I109-G114 PolarHBondContact O-N 2.78Å; I109-T121 HydrophobicContact CD1-CG2 4.3Å; I109-T121 HydrophobicContact CG2-CG2 4.07Å; I109-M124 HydrophobicContact CD1-CB 3.83Å; I109-V125 HydrophobicContact CD1-CG2 4.38Å; I109-V125 HydrophobicContact CG2-CG2 3.82Å; I109-I160 HydrophobicContact CD1-CG2 4.11Å
110	A	98.3	Very high	98	Very high	59 Å²	59	49.8 Å²	49.8	49%	0.488	26%	0.264	S	S	.	.	H	α-helix	trans	-76.2	-55	178.4	0	0	0	0	0	111.2	Q106 E107 R108 G112 H113	Q106-A110 WeakPolarHBondContact O-CB 3.46Å; Q106-A110 PolarHBondContact O-N 3.26Å; E107-A110 PolarHBondContact O-N 3.29Å; R108-A110 VanDerWaalsContact C-N 3.3Å; R108-A110 PolarHBondContact O-N 3.34Å; A110-G112 VanDerWaalsContact C-N 3.27Å; A110-G112 PolarHBondContact O-N 3.3Å; A110-H113 PolarHBondContact O-N 3.06Å
111	K	97.7	Very high	98.2	Very high	88 Å²	88	45.6 Å²	45.6	38%	0.383	24%	0.238	S	C	.	.	H	α-helix	trans	-66.6	-28.2	179.6	-72.1	-175.6	175.4	176.8	0	112.9	E107 H113 Y202 F207	E107-K111 HydrophobicContact CG-CD 3.82Å; E107-K111 HydrophobicContact CG-CG 4.38Å; E107-K111 WeakPolarHBondContact O-CB 3.37Å; E107-K111 PolarHBondContact O-N 2.93Å; E107-K111 WeakPolarHBondContact OE1-CE 3.21Å; E107-K111 IonicContact OE1-NZ 2.74Å; E107-K111 PolarHBondContact OE1-NZ 3.16Å; K111-H113 PolarHBondContact O-N 2.95Å; K111-Y202 WeakPolarHBondContact O-CB 3.48Å; K111-F207 HydrophobicContact CB-CE1 3.68Å; K111-F207 HydrophobicContact CB-CZ 4.37Å; K111-F207 HydrophobicContact CD-CD1 4.17Å; K111-F207 HydrophobicContact CD-CE1 3.93Å; K111-F207 HydrophobicContact CG-CE1 4.45Å
112	G	96.9	Very high	98.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	8.3	175.6	0	0	0	0	0	114.7	R108 A110 G114 P159	R108-G112 WeakPolarHBondContact O-CA 3.37Å; R108-G112 PolarHBondContact O-N 3.32Å; A110-G112 VanDerWaalsContact C-N 3.27Å; A110-G112 PolarHBondContact O-N 3.3Å; G112-G114 PolarHBondContact O-N 3Å; G112-P159 WeakPolarHBondContact O-CB 3.23Å
113	H	97.7	Very high	98.4	Very high	95 Å²	95	37.3 Å²	37.3	44%	0.44	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	26.2	-177.2	-51.5	-71.4	0	0	0	113.5	A110 K111 T115 P159 L201	A110-H113 PolarHBondContact O-N 3.06Å; K111-H113 PolarHBondContact O-N 2.95Å; H113-T115 PolarHBondContact O-N 3.47Å; H113-P159 VanDerWaalsContact O-CB 3.3Å; H113-P159 WeakPolarHBondContact O-CB 3.49Å; H113-P159 WeakPolarHBondContact O-CG 3.41Å; H113-L201 PolarHBondContact NE2-O 3.06Å
114	G	98.3	Very high	98.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.			trans	-74.7	5.4	174.9	0	0	0	0	0	113.5	I109 G112 I160	I109-G114 VanDerWaalsContact O-CA 3.22Å; I109-G114 WeakPolarHBondContact O-CA 3.5Å; I109-G114 PolarHBondContact O-N 2.78Å; G112-G114 PolarHBondContact O-N 3Å; G114-I160 VanDerWaalsContact O-CG1 3.24Å; G114-I160 WeakPolarHBondContact O-CG1 3.2Å
115	T	98.5	Very high	98.5	Very high	48 Å²	48	36.6 Å²	36.6	29%	0.294	20%	0.201	S	C	.	.			trans	-133.5	133.5	-177.9	-67.1	0	0	0	0	110.6	H113 T121	H113-T115 PolarHBondContact O-N 3.47Å; T115-T121 WeakPolarHBondContact CG2-OG1 3.32Å; T115-T121 VanDerWaalsContact OG1-CG2 3.27Å; T115-T121 WeakPolarHBondContact OG1-CG2 3.24Å; T115-T121 PolarHBondContact OG1-OG1 2.92Å
116	Q	98.6	Very high	98.5	Very high	126 Å²	126	36.5 Å²	36.5	59%	0.589	20%	0.2	S	C	*	.	S	Bend	trans	-120.1	-87.5	167.1	-70.8	177.2	25.2	0	0	109.5	G118 C154 T155	Q116-G118 PolarHBondContact O-N 2.74Å; Q116-C154 HydrophobicContact CB-CB 3.81Å; Q116-C154 HydrophobicContact CG-CB 4.38Å; Q116-C154 PolarHBondContact NE2-O 2.67Å; Q116-C154 PolarHBondContact OE1-O 3.06Å; Q116-T155 HydrophobicContact CB-CG2 4.44Å; Q116-T155 HydrophobicContact CG-CG2 4.12Å
117	C	98.6	Very high	98.5	Very high	87 Å²	87	35.2 Å²	35.2	59%	0.588	20%	0.195	S	C	*	.	S	Bend	trans	-66	-18.3	178.2	75.5	0	0	0	0	114.1	F119 C154	C117-F119 VanDerWaalsContact C-N 3.26Å; C117-F119 PolarHBondContact O-N 3.25Å; C117-C154 VanDerWaalsContact SG-SG 3.61Å
118	G	98.6	Very high	98.5	Very high	27 Å²	27	34.5 Å²	34.5	28%	0.278	19%	0.192	S	C	.	.			trans	79.3	-8	176.5	0	0	0	0	0	116.3	Q116 T121 P122	Q116-G118 PolarHBondContact O-N 2.74Å; G118-T121 PolarHBondContact O-N 2.96Å; G118-P122 WeakPolarHBondContact O-CD 3.43Å
119	F	98.8	Very high	98.5	Very high	104 Å²	104	33.4 Å²	33.4	46%	0.456	19%	0.188	S	C	.	.	S	Bend	trans	-68.7	-41.6	-171.3	-161.6	-93.2	0	0	0	113.7	K44 Y45 C117	K44-F119 HydrophobicContact CB-CD1 4.3Å; K44-F119 HydrophobicContact CB-CE1 3.76Å; K44-F119 HydrophobicContact CB-CE2 4.32Å; K44-F119 HydrophobicContact CB-CZ 3.78Å; K44-F119 HydrophobicContact CG-CE1 4.42Å; K44-F119 HydrophobicContact CG-CE2 4.4Å; K44-F119 HydrophobicContact CG-CZ 4.34Å; Y45-F119 WeakPolarHBondContact O-CE1 3.42Å; Y45-F119 WeakPolarHBondContact O-CZ 3.19Å; C117-F119 VanDerWaalsContact C-N 3.26Å; C117-F119 PolarHBondContact O-N 3.25Å
120	C	98.8	Very high	98.5	Very high	15 Å²	15	33.5 Å²	33.5	10%	0.101	19%	0.188	C	C	.	.	S	Bend	trans	-82.8	-14	178.8	66	0	0	0	0	113.3	G123 M124 L151 C152	C120-G123 PolarHBondContact O-N 2.66Å; C120-G123 VanDerWaalsContact O-N 3.1Å; C120-M124 WeakPolarHBondContact O-CG 3.5Å; C120-M124 PolarHBondContact O-N 3.13Å; C120-M124 VanDerWaalsContact O-N 3.13Å; C120-L151 WeakPolarHBondContact CB-O 3.35Å; C120-C152 PolarHBondContact SG-SG 3.21Å
121	T	98.9	Very high	98.6	Very high	20 Å²	20	31.4 Å²	31.4	12%	0.123	17%	0.169	C	C	.	.	H	α-helix	trans	-57	-42.2	-173	-54.5	0	0	0	0	113.1	I109 T115 G118 G123 M124 V125	I109-T121 HydrophobicContact CD1-CG2 4.3Å; I109-T121 HydrophobicContact CG2-CG2 4.07Å; T115-T121 WeakPolarHBondContact CG2-OG1 3.32Å; T115-T121 VanDerWaalsContact OG1-CG2 3.27Å; T115-T121 WeakPolarHBondContact OG1-CG2 3.24Å; T115-T121 PolarHBondContact OG1-OG1 2.92Å; G118-T121 PolarHBondContact O-N 2.96Å; T121-G123 VanDerWaalsContact C-N 3.33Å; T121-G123 PolarHBondContact O-N 3.45Å; T121-M124 PolarHBondContact O-N 3.01Å; T121-V125 HydrophobicContact CG2-CG2 4.05Å; T121-V125 WeakPolarHBondContact O-CB 3.35Å; T121-V125 VanDerWaalsContact O-CG2 3.24Å; T121-V125 WeakPolarHBondContact O-CG2 3.27Å; T121-V125 PolarHBondContact O-N 2.83Å
122	P	98.9	Very high	98.6	Very high	17 Å²	17	27.5 Å²	27.5	11%	0.11	15%	0.152	C	C	.	.	H	α-helix	trans	-56	-43	174.9	-29.7	38.7	0	0	0	114	G42 K44 V92 G118 V125 M126	G42-P122 WeakPolarHBondContact O-CB 3.47Å; G42-P122 VanDerWaalsContact O-CG 3.27Å; G42-P122 WeakPolarHBondContact O-CG 3.41Å; K44-P122 HydrophobicContact CG-CG 4.35Å; V92-P122 HydrophobicContact CB-CB 4.19Å; V92-P122 HydrophobicContact CG1-CB 3.98Å; V92-P122 HydrophobicContact CG1-CG 4.49Å; V92-P122 HydrophobicContact CG2-CB 4.39Å; G118-P122 WeakPolarHBondContact O-CD 3.43Å; P122-V125 PolarHBondContact O-N 3.46Å; P122-M126 WeakPolarHBondContact O-CG 3.37Å; P122-M126 PolarHBondContact O-N 3.49Å
123	G	98.9	Very high	98.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.4	-47.7	178	0	0	0	0	0	112.2	G53 C120 T121 V125 M126 S127 N150	G53-G123 WeakPolarHBondContact O-CA 3.36Å; C120-G123 PolarHBondContact O-N 2.66Å; C120-G123 VanDerWaalsContact O-N 3.1Å; T121-G123 VanDerWaalsContact C-N 3.33Å; T121-G123 PolarHBondContact O-N 3.45Å; G123-V125 VanDerWaalsContact C-N 3.33Å; G123-V125 PolarHBondContact O-N 3.16Å; G123-M126 PolarHBondContact O-N 2.79Å; G123-S127 PolarHBondContact O-N 3.29Å; G123-N150 VanDerWaalsContact C-OD1 3.3Å; G123-N150 PolarHBondContact O-OD1 3.48Å
124	M	98.9	Very high	98.7	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-56.2	-47.1	175.2	-64	-70	-178.3	0	0	111.8	I109 C120 T121 M126 S127 I128 L147 N150 C152 Y157 I160	I109-M124 HydrophobicContact CD1-CB 3.83Å; C120-M124 WeakPolarHBondContact O-CG 3.5Å; C120-M124 PolarHBondContact O-N 3.13Å; C120-M124 VanDerWaalsContact O-N 3.13Å; T121-M124 PolarHBondContact O-N 3.01Å; M124-M126 PolarHBondContact O-N 2.96Å; M124-S127 PolarHBondContact O-N 2.87Å; M124-I128 WeakPolarHBondContact O-CG1 3.32Å; M124-I128 PolarHBondContact O-N 3.07Å; M124-L147 HydrophobicContact SD-CD2 3.77Å; M124-N150 HydrophobicContact CE-CB 3.49Å; M124-N150 VanDerWaalsContact CE-CB 3.49Å; M124-N150 WeakPolarHBondContact CE-O 3.42Å; M124-N150 HydrophobicContact CG-CB 4.47Å; M124-N150 HydrophobicContact SD-CB 3.4Å; M124-N150 WeakPolarHBondContact SD-CB 3.41Å; M124-C152 HydrophobicContact CE-CB 3.88Å; M124-Y157 HydrophobicContact CE-CD1 4.25Å; M124-Y157 HydrophobicContact CE-CE1 3.91Å; M124-I160 HydrophobicContact CE-CD1 3.99Å; M124-I160 HydrophobicContact CG-CD1 4.28Å; M124-I160 HydrophobicContact CG-CG2 4.47Å; M124-I160 HydrophobicContact SD-CD1 4.25Å; M124-I160 HydrophobicContact SD-CG2 4.07Å
125	V	98.9	Very high	98.6	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.018	18%	0.178	C	C	.	.	H	α-helix	trans	-60	-46.7	177.9	165.5	0	0	0	0	110.7	V92 I95 V105 Q106 I109 T121 P122 G123 I128 Y129	V92-V125 HydrophobicContact CG2-CB 4.48Å; V92-V125 HydrophobicContact CG2-CG1 4.07Å; I95-V125 HydrophobicContact CD1-CG1 3.45Å; I95-V125 VanDerWaalsContact CD1-CG1 3.45Å; V105-V125 HydrophobicContact CG1-CB 4.29Å; V105-V125 HydrophobicContact CG1-CG1 4Å; V105-V125 HydrophobicContact CG1-CG2 4.31Å; Q106-V125 HydrophobicContact CG-CG1 3.87Å; Q106-V125 HydrophobicContact CG-CG2 4.48Å; I109-V125 HydrophobicContact CD1-CG2 4.38Å; I109-V125 HydrophobicContact CG2-CG2 3.82Å; T121-V125 HydrophobicContact CG2-CG2 4.05Å; T121-V125 WeakPolarHBondContact O-CB 3.35Å; T121-V125 VanDerWaalsContact O-CG2 3.24Å; T121-V125 WeakPolarHBondContact O-CG2 3.27Å; T121-V125 PolarHBondContact O-N 2.83Å; P122-V125 PolarHBondContact O-N 3.46Å; G123-V125 VanDerWaalsContact C-N 3.33Å; G123-V125 PolarHBondContact O-N 3.16Å; V125-I128 PolarHBondContact O-N 2.95Å; V125-Y129 WeakPolarHBondContact O-CB 3.39Å; V125-Y129 PolarHBondContact O-N 2.59Å
126	M	98.9	Very high	98.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-70.6	-32.6	-177.8	-70.5	-50.5	-53.6	0	0	113.3	T56 M58 T90 V92 I95 P122 G123 M124 Y129 T130	T56-M126 HydrophobicContact CG2-CB 4.04Å; T56-M126 WeakPolarHBondContact O-CB 3.41Å; T56-M126 WeakPolarHBondContact O-CG 3.47Å; M58-M126 HydrophobicContact CB-CE 3.87Å; T90-M126 HydrophobicContact CG2-CE 4.22Å; T90-M126 WeakPolarHBondContact O-CE 3.24Å; V92-M126 HydrophobicContact CB-CG 4.34Å; V92-M126 HydrophobicContact CB-SD 4.33Å; V92-M126 PolarHBondContact N-SD 2.62Å; I95-M126 HydrophobicContact CD1-SD 4.37Å; I95-M126 HydrophobicContact CG2-CE 4.4Å; I95-M126 HydrophobicContact CG2-SD 4.24Å; P122-M126 WeakPolarHBondContact O-CG 3.37Å; P122-M126 PolarHBondContact O-N 3.49Å; G123-M126 PolarHBondContact O-N 2.79Å; M124-M126 PolarHBondContact O-N 2.96Å; M126-Y129 HydrophobicContact CE-CD1 3.86Å; M126-T130 WeakPolarHBondContact O-CB 3.31Å; M126-T130 PolarHBondContact O-N 3.08Å; M126-T130 PolarHBondContact O-OG1 3.08Å
127	S	98.9	Very high	98.2	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-51.6	170.9	-79.7	0	0	0	0	111.7	G123 M124 Y129 T130 L131 T146 N150	G123-S127 PolarHBondContact O-N 3.29Å; M124-S127 PolarHBondContact O-N 2.87Å; S127-Y129 VanDerWaalsContact C-N 3.33Å; S127-Y129 PolarHBondContact O-N 2.99Å; S127-T130 PolarHBondContact O-N 2.97Å; S127-L131 PolarHBondContact O-N 3.31Å; S127-T146 PolarHBondContact O-OG1 2.84Å; S127-N150 WeakPolarHBondContact CB-ND2 3.31Å; S127-N150 PolarHBondContact OG-ND2 3.26Å
128	I	98.8	Very high	98.1	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.031	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-42.9	178.5	-63.4	164.4	0	0	0	110.8	V105 M124 V125 T130 L131 L132 L147 A164 F167	V105-I128 HydrophobicContact CG1-CB 3.87Å; V105-I128 HydrophobicContact CG1-CG2 3.79Å; V105-I128 HydrophobicContact CG2-CG2 3.94Å; M124-I128 WeakPolarHBondContact O-CG1 3.32Å; M124-I128 PolarHBondContact O-N 3.07Å; V125-I128 PolarHBondContact O-N 2.95Å; I128-T130 PolarHBondContact O-N 3.34Å; I128-L131 WeakPolarHBondContact O-CB 3.45Å; I128-L131 PolarHBondContact O-N 2.86Å; I128-L132 HydrophobicContact CG2-CD1 4.02Å; I128-L132 HydrophobicContact CG2-CG 4.44Å; I128-L132 WeakPolarHBondContact O-CG 3.45Å; I128-L132 PolarHBondContact O-N 3.07Å; I128-L147 HydrophobicContact CD1-CD2 4.28Å; I128-L147 HydrophobicContact CG1-CD2 3.99Å; I128-A164 HydrophobicContact CD1-CB 3.99Å; I128-A164 HydrophobicContact CG1-CB 4.28Å; I128-F167 HydrophobicContact CG2-CD2 4.47Å; I128-F167 HydrophobicContact CG2-CE2 4.41Å
129	Y	98.9	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.7	-49	176.6	178.9	-100.8	0	0	0	111.6	M58 T90 I95 H103 V125 M126 S127 L131 L132 R133 E215	M58-Y129 HydrophobicContact CE-CD1 4.47Å; M58-Y129 HydrophobicContact CE-CE1 3.7Å; M58-Y129 HydrophobicContact SD-CD1 4.04Å; M58-Y129 HydrophobicContact SD-CE1 3.78Å; T90-Y129 HydrophobicContact CG2-CE1 4.34Å; I95-Y129 HydrophobicContact CB-CD2 4.18Å; I95-Y129 HydrophobicContact CB-CE2 3.98Å; I95-Y129 HydrophobicContact CD1-CD2 3.97Å; I95-Y129 HydrophobicContact CD1-CG 4.17Å; I95-Y129 HydrophobicContact CG2-CD1 3.75Å; I95-Y129 HydrophobicContact CG2-CD2 3.79Å; I95-Y129 HydrophobicContact CG2-CE1 3.53Å; I95-Y129 HydrophobicContact CG2-CE2 3.6Å; I95-Y129 HydrophobicContact CG2-CG 3.87Å; I95-Y129 VanDerWaalsContact CG2-CZ 3.47Å; H103-Y129 AromaticContact CE1-CD2 3.6Å; H103-Y129 AromaticContact CE1-CE2 3.85Å; H103-Y129 AromaticContact ND1-CD2 3.98Å; H103-Y129 AromaticContact NE2-CD2 3.88Å; H103-Y129 AromaticContact NE2-CE2 3.64Å; V125-Y129 WeakPolarHBondContact O-CB 3.39Å; V125-Y129 PolarHBondContact O-N 2.59Å; M126-Y129 HydrophobicContact CE-CD1 3.86Å; S127-Y129 VanDerWaalsContact C-N 3.33Å; S127-Y129 PolarHBondContact O-N 2.99Å; Y129-L131 VanDerWaalsContact C-N 3.31Å; Y129-L131 PolarHBondContact O-N 3.07Å; Y129-L132 PolarHBondContact O-N 2.94Å; Y129-L132 VanDerWaalsContact O-N 3.16Å; Y129-R133 HydrophobicContact CD1-CG 4.15Å; Y129-R133 HydrophobicContact CE1-CG 3.72Å; Y129-R133 HydrophobicContact CE2-CG 4.29Å; Y129-R133 WeakPolarHBondContact O-CG 3.47Å; Y129-R133 PolarHBondContact O-N 2.87Å; Y129-R133 PolarHBondContact OH-NH1 3.32Å; Y129-E215 WeakPolarHBondContact CE2-OE2 3.16Å; Y129-E215 VanDerWaalsContact CZ-OE2 3.25Å; Y129-E215 PolarHBondContact OH-OE2 3.1Å
130	T	98.8	Very high	97.8	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.025	15%	0.151	C	C	.	.	H	α-helix	trans	-63.3	-38.6	179.7	-53.5	0	0	0	0	111.7	M58 M126 S127 I128 R133 N134	M58-T130 WeakPolarHBondContact CB-OG1 3.38Å; M58-T130 HydrophobicContact CG-CG2 3.92Å; M58-T130 HydrophobicContact SD-CG2 4.23Å; M126-T130 WeakPolarHBondContact O-CB 3.31Å; M126-T130 PolarHBondContact O-N 3.08Å; M126-T130 PolarHBondContact O-OG1 3.08Å; S127-T130 PolarHBondContact O-N 2.97Å; I128-T130 PolarHBondContact O-N 3.34Å; T130-R133 PolarHBondContact O-N 3.03Å; T130-N134 PolarHBondContact O-N 3.25Å; T130-N134 PolarHBondContact O-ND2 3.41Å
131	L	98.6	Very high	97.7	Very high	15 Å²	15	33.9 Å²	33.9	8%	0.079	18%	0.176	C	C	.	.	H	α-helix	trans	-57.9	-50.3	172.6	171.4	61.3	0	0	0	110.9	S127 I128 Y129 R133 N134 H135 P138 Q142 I143 T146	S127-L131 PolarHBondContact O-N 3.31Å; I128-L131 WeakPolarHBondContact O-CB 3.45Å; I128-L131 PolarHBondContact O-N 2.86Å; Y129-L131 VanDerWaalsContact C-N 3.31Å; Y129-L131 PolarHBondContact O-N 3.07Å; L131-R133 VanDerWaalsContact C-N 3.26Å; L131-R133 PolarHBondContact O-N 3.43Å; L131-N134 CarbonylContact O-C 3.53Å; L131-N134 PolarHBondContact O-N 3.17Å; L131-H135 HydrophobicContact CD1-CB 4.24Å; L131-H135 PolarHBondContact O-N 3.48Å; L131-P138 HydrophobicContact CD1-CB 4.24Å; L131-P138 HydrophobicContact CD2-CB 3.85Å; L131-P138 HydrophobicContact CD2-CG 4.31Å; L131-P138 HydrophobicContact CG-CB 4.03Å; L131-Q142 HydrophobicContact CD1-CB 3.95Å; L131-Q142 HydrophobicContact CD2-CB 4.36Å; L131-I143 HydrophobicContact CD2-CG1 3.82Å; L131-T146 HydrophobicContact CB-CG2 4.13Å; L131-T146 HydrophobicContact CD2-CG2 3.68Å
132	L	98.4	Very high	97.6	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.037	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-29.5	-178.5	-68.2	171.3	0	0	0	113.3	V105 I128 Y129 N134 H135 P136 P138 F167 L210	V105-L132 HydrophobicContact CG2-CD1 3.45Å; V105-L132 VanDerWaalsContact CG2-CD1 3.45Å; I128-L132 HydrophobicContact CG2-CD1 4.02Å; I128-L132 HydrophobicContact CG2-CG 4.44Å; I128-L132 WeakPolarHBondContact O-CG 3.45Å; I128-L132 PolarHBondContact O-N 3.07Å; Y129-L132 PolarHBondContact O-N 2.94Å; Y129-L132 VanDerWaalsContact O-N 3.16Å; L132-N134 PolarHBondContact O-N 3.45Å; L132-H135 WeakPolarHBondContact CA-O 3.19Å; L132-H135 CarbonylContact O-C 3.58Å; L132-P136 WeakPolarHBondContact O-CA 3.34Å; L132-P138 HydrophobicContact CD2-CG 3.83Å; L132-F167 HydrophobicContact CD1-CD1 3.93Å; L132-F167 HydrophobicContact CD1-CD2 4.05Å; L132-F167 HydrophobicContact CD1-CE1 4.05Å; L132-F167 HydrophobicContact CD1-CE2 4.17Å; L132-F167 HydrophobicContact CD1-CG 3.94Å; L132-F167 HydrophobicContact CD1-CZ 4.17Å; L132-F167 HydrophobicContact CD2-CB 3.79Å; L132-F167 HydrophobicContact CD2-CD1 4.31Å; L132-F167 HydrophobicContact CD2-CG 4.02Å; L132-L210 HydrophobicContact CB-CD2 4.28Å; L132-L210 HydrophobicContact CD1-CD2 4.08Å; L132-L210 HydrophobicContact CD2-CD2 4.07Å; L132-L210 HydrophobicContact CG-CD2 4.37Å
133	R	98.3	Very high	97.6	Very high	50 Å²	50	34.6 Å²	34.6	19%	0.189	18%	0.176	C	C	.	.	H	α-helix	trans	-66.5	-25.1	173.1	-70.9	-61.3	-57.6	-99.1	0.7	113.4	M58 H71 Y129 T130 L131 L216	M58-R133 HydrophobicContact SD-CB 4.27Å; M58-R133 HydrophobicContact SD-CG 3.99Å; H71-R133 HydrophobicContact CB-CB 4.49Å; H71-R133 PolarHBondContact CE1-NH2 3.42Å; H71-R133 VanDerWaalsContact CE1-NH2 3.29Å; H71-R133 PolarHBondContact NE2-NH2 3.31Å; Y129-R133 HydrophobicContact CD1-CG 4.15Å; Y129-R133 HydrophobicContact CE1-CG 3.72Å; Y129-R133 HydrophobicContact CE2-CG 4.29Å; Y129-R133 WeakPolarHBondContact O-CG 3.47Å; Y129-R133 PolarHBondContact O-N 2.87Å; Y129-R133 PolarHBondContact OH-NH1 3.32Å; T130-R133 PolarHBondContact O-N 3.03Å; L131-R133 VanDerWaalsContact C-N 3.26Å; L131-R133 PolarHBondContact O-N 3.43Å; R133-L216 PolarHBondContact NH1-O 3.31Å
134	N	97.8	Very high	97.5	Very high	74 Å²	74	39.5 Å²	39.5	40%	0.396	20%	0.2	S	C	.	.	H	α-helix	trans	-99.3	-32.7	177.1	-68.5	-40	0	0	0	112.5	H71 T130 L131 L132	H71-N134 PolarHBondContact O-ND2 3.39Å; H71-N134 PolarHBondContact O-OD1 3.2Å; T130-N134 PolarHBondContact O-N 3.25Å; T130-N134 PolarHBondContact O-ND2 3.41Å; L131-N134 CarbonylContact O-C 3.53Å; L131-N134 PolarHBondContact O-N 3.17Å; L132-N134 PolarHBondContact O-N 3.45Å
135	H	96.8	Very high	97.4	Very high	88 Å²	88	47.1 Å²	47.1	41%	0.407	24%	0.236	S	C	.	.			trans	-139.4	88.8	-177.4	-60.1	-74	0	0	0	109.5	L131 L132 E137 P138 Q142	L131-H135 HydrophobicContact CD1-CB 4.24Å; L131-H135 PolarHBondContact O-N 3.48Å; L132-H135 WeakPolarHBondContact CA-O 3.19Å; L132-H135 CarbonylContact O-C 3.58Å; H135-E137 PolarHBondContact O-N 3.36Å; H135-E137 VanDerWaalsContact O-N 3.16Å; H135-P138 HydrophobicContact CB-CB 4.36Å; H135-P138 WeakPolarHBondContact O-CD 3.44Å; H135-Q142 PolarHBondContact CD2-NE2 3.2Å; H135-Q142 VanDerWaalsContact CD2-NE2 3.33Å; H135-Q142 PolarHBondContact CE1-NE2 3Å; H135-Q142 PolarHBondContact ND1-NE2 3.1Å; H135-Q142 PolarHBondContact NE2-NE2 3.48Å
136	P	94.8	Very high	97.4	Very high	62 Å²	62	48.4 Å²	48.4	40%	0.403	24%	0.244	S	C	.	.	S	Bend	trans	-59.9	-25.6	-178.4	-26.9	35.9	0	0	0	114.3	L132 P138 P212	L132-P136 WeakPolarHBondContact O-CA 3.34Å; P136-P138 WeakPolarHBondContact O-CD 3.38Å; P136-P212 HydrophobicContact CB-CG 4.2Å
137	E	94.4	Very high	97.3	Very high	147 Å²	147	49.1 Å²	49.1	69%	0.687	25%	0.247	S	C	*	.	S	Bend	trans	-120.2	76.5	174.7	-66.8	-173.9	166.2	0	0	109.4	H135 P169	H135-E137 PolarHBondContact O-N 3.36Å; H135-E137 VanDerWaalsContact O-N 3.16Å; E137-P169 HydrophobicContact CB-CG 4.33Å
138	P	96.5	Very high	97.2	Very high	2 Å²	2	52 Å²	52	1%	0.013	28%	0.278	C	S	.	.			trans	-77.6	154.2	-172.3	32.2	-35.3	0	0	0	112.3	L131 L132 H135 P136 Q142 I143 F167 C168	L131-P138 HydrophobicContact CD1-CB 4.24Å; L131-P138 HydrophobicContact CD2-CB 3.85Å; L131-P138 HydrophobicContact CD2-CG 4.31Å; L131-P138 HydrophobicContact CG-CB 4.03Å; L132-P138 HydrophobicContact CD2-CG 3.83Å; H135-P138 HydrophobicContact CB-CB 4.36Å; H135-P138 WeakPolarHBondContact O-CD 3.44Å; P136-P138 WeakPolarHBondContact O-CD 3.38Å; P138-Q142 HydrophobicContact CB-CB 4.49Å; P138-I143 HydrophobicContact CB-CG1 4.45Å; P138-I143 HydrophobicContact CG-CD1 4.34Å; P138-I143 HydrophobicContact CG-CG1 4.35Å; P138-F167 HydrophobicContact CG-CB 4.44Å; P138-C168 PolarHBondContact O-SG 3.49Å
139	S	96.4	Very high	97.1	Very high	44 Å²	44	53.8 Å²	53.8	31%	0.308	30%	0.297	S	S	.	.			trans	-78.2	167.1	168	93.3	0	0	0	0	111.8	E141 Q142 I143	S139-E141 VanDerWaalsContact C-N 3.31Å; S139-E141 VanDerWaalsContact CB-OE2 3.3Å; S139-E141 WeakPolarHBondContact CB-OE2 3.42Å; S139-E141 PolarHBondContact O-N 3.37Å; S139-E141 PolarHBondContact OG-N 2.89Å; S139-E141 PolarHBondContact OG-OE2 3.32Å; S139-Q142 PolarHBondContact O-N 2.87Å; S139-Q142 PolarHBondContact OG-N 3.36Å; S139-I143 WeakPolarHBondContact O-CG1 3.44Å; S139-I143 PolarHBondContact O-N 3Å
140	T	94.4	Very high	97.1	Very high	35 Å²	35	54 Å²	54	22%	0.215	30%	0.299	C	S	.	.	H	α-helix	trans	-66.1	-36.4	175.3	-70	0	0	0	0	111.5	I143 M144	T140-I143 WeakPolarHBondContact O-CB 3.45Å; T140-I143 PolarHBondContact O-N 3.4Å; T140-M144 HydrophobicContact CG2-CG 4.4Å; T140-M144 WeakPolarHBondContact O-CG 3.46Å; T140-M144 PolarHBondContact O-N 2.99Å
141	E	96.1	Very high	97.1	Very high	133 Å²	133	58.3 Å²	58.3	62%	0.621	32%	0.321	S	S	*	.	H	α-helix	trans	-61.9	-45.2	178.5	-61	66.9	-142.5	0	0	110.4	S139 I143 M144 E145	S139-E141 VanDerWaalsContact C-N 3.31Å; S139-E141 VanDerWaalsContact CB-OE2 3.3Å; S139-E141 WeakPolarHBondContact CB-OE2 3.42Å; S139-E141 PolarHBondContact O-N 3.37Å; S139-E141 PolarHBondContact OG-N 2.89Å; S139-E141 PolarHBondContact OG-OE2 3.32Å; E141-I143 VanDerWaalsContact C-N 3.29Å; E141-I143 PolarHBondContact O-N 3.07Å; E141-M144 PolarHBondContact O-N 3.42Å; E141-M144 VanDerWaalsContact O-N 3.13Å; E141-E145 PolarHBondContact O-N 2.97Å
142	Q	97.8	Very high	97.1	Very high	50 Å²	50	58.3 Å²	58.3	23%	0.234	32%	0.322	C	S	.	.	H	α-helix	trans	-62.3	-36.2	176	-65.4	178.7	-53.7	0	0	112.3	L131 H135 P138 S139 T146	L131-Q142 HydrophobicContact CD1-CB 3.95Å; L131-Q142 HydrophobicContact CD2-CB 4.36Å; H135-Q142 PolarHBondContact CD2-NE2 3.2Å; H135-Q142 VanDerWaalsContact CD2-NE2 3.33Å; H135-Q142 PolarHBondContact CE1-NE2 3Å; H135-Q142 PolarHBondContact ND1-NE2 3.1Å; H135-Q142 PolarHBondContact NE2-NE2 3.48Å; P138-Q142 HydrophobicContact CB-CB 4.49Å; S139-Q142 PolarHBondContact O-N 2.87Å; S139-Q142 PolarHBondContact OG-N 3.36Å; Q142-T146 WeakPolarHBondContact O-CB 3.41Å; Q142-T146 PolarHBondContact O-N 2.97Å
143	I	97.8	Very high	97.1	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-65.1	-43.5	173.8	-71.6	168.1	0	0	0	111	L131 P138 S139 T140 E141 T146 L147 A164 K165 C168	L131-I143 HydrophobicContact CD2-CG1 3.82Å; P138-I143 HydrophobicContact CB-CG1 4.45Å; P138-I143 HydrophobicContact CG-CD1 4.34Å; P138-I143 HydrophobicContact CG-CG1 4.35Å; S139-I143 WeakPolarHBondContact O-CG1 3.44Å; S139-I143 PolarHBondContact O-N 3Å; T140-I143 WeakPolarHBondContact O-CB 3.45Å; T140-I143 PolarHBondContact O-N 3.4Å; E141-I143 VanDerWaalsContact C-N 3.29Å; E141-I143 PolarHBondContact O-N 3.07Å; I143-T146 WeakPolarHBondContact O-CG2 3.35Å; I143-L147 HydrophobicContact CG2-CD1 3.94Å; I143-L147 WeakPolarHBondContact O-CB 3.41Å; I143-L147 VanDerWaalsContact O-CG 3.31Å; I143-L147 WeakPolarHBondContact O-CG 3.34Å; I143-L147 PolarHBondContact O-N 3.49Å; I143-L147 VanDerWaalsContact O-N 3.16Å; I143-A164 HydrophobicContact CD1-CB 4.06Å; I143-A164 HydrophobicContact CG1-CB 4.27Å; I143-A164 HydrophobicContact CG2-CB 3.52Å; I143-K165 HydrophobicContact CD1-CG 4.33Å; I143-C168 WeakPolarHBondContact CD1-SG 3.18Å
144	M	97.1	Very high	97.2	Very high	104 Å²	104	69.7 Å²	69.7	51%	0.512	37%	0.372	S	S	.	.	H	α-helix	trans	-65.6	-41.8	178.9	-67.1	-57	-62.1	0	0	111.2	T140 E141 L147 G148 V161	T140-M144 HydrophobicContact CG2-CG 4.4Å; T140-M144 WeakPolarHBondContact O-CG 3.46Å; T140-M144 PolarHBondContact O-N 2.99Å; E141-M144 PolarHBondContact O-N 3.42Å; E141-M144 VanDerWaalsContact O-N 3.13Å; M144-L147 PolarHBondContact O-N 3.38Å; M144-G148 PolarHBondContact O-N 3.26Å; M144-G148 VanDerWaalsContact O-N 3.07Å; M144-V161 HydrophobicContact SD-CG1 4.03Å; M144-V161 HydrophobicContact SD-CG2 4.21Å
145	E	97.6	Very high	97.2	Very high	161 Å²	161	67 Å²	67	75%	0.752	36%	0.358	S	S	*	.	H	α-helix	trans	-61.9	-48.9	176.6	-172.9	177.4	-173.7	0	0	111.6	E141 L147 G148	E141-E145 PolarHBondContact O-N 2.97Å; E145-L147 PolarHBondContact O-N 2.89Å; E145-G148 PolarHBondContact O-N 3.44Å; E145-G148 VanDerWaalsContact O-N 3.14Å
146	T	97.6	Very high	97.2	Very high	29 Å²	29	65.5 Å²	65.5	18%	0.178	37%	0.367	C	S	.	.	H	α-helix	trans	-64.5	-30	-178.7	-157.9	0	0	0	0	113.1	S127 L131 Q142 I143 N150	S127-T146 PolarHBondContact O-OG1 2.84Å; L131-T146 HydrophobicContact CB-CG2 4.13Å; L131-T146 HydrophobicContact CD2-CG2 3.68Å; Q142-T146 WeakPolarHBondContact O-CB 3.41Å; Q142-T146 PolarHBondContact O-N 2.97Å; I143-T146 WeakPolarHBondContact O-CG2 3.35Å; T146-N150 PolarHBondContact O-ND2 3.37Å
147	L	98.1	Very high	97.3	Very high	15 Å²	15	66.6 Å²	66.6	8%	0.079	36%	0.363	C	S	.	.	H	α-helix	trans	-86.1	-13.8	179	-67.7	178.4	0	0	0	113.3	M124 I128 I143 M144 E145 G149 N150 I160 V161	M124-L147 HydrophobicContact SD-CD2 3.77Å; I128-L147 HydrophobicContact CD1-CD2 4.28Å; I128-L147 HydrophobicContact CG1-CD2 3.99Å; I143-L147 HydrophobicContact CG2-CD1 3.94Å; I143-L147 WeakPolarHBondContact O-CB 3.41Å; I143-L147 VanDerWaalsContact O-CG 3.31Å; I143-L147 WeakPolarHBondContact O-CG 3.34Å; I143-L147 PolarHBondContact O-N 3.49Å; I143-L147 VanDerWaalsContact O-N 3.16Å; M144-L147 PolarHBondContact O-N 3.38Å; E145-L147 PolarHBondContact O-N 2.89Å; L147-G149 PolarHBondContact O-N 3.31Å; L147-G149 VanDerWaalsContact O-N 3.09Å; L147-N150 PolarHBondContact O-N 2.91Å; L147-I160 HydrophobicContact CD1-CG2 4.19Å; L147-I160 HydrophobicContact CD2-CG2 4.49Å; L147-V161 HydrophobicContact CD1-CG2 4.14Å
148	G	97.1	Very high	97.5	Very high	65 Å²	65	65.1 Å²	65.1	67%	0.67	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.6	-176.3	0	0	0	0	0	114.6	M144 E145	M144-G148 PolarHBondContact O-N 3.26Å; M144-G148 VanDerWaalsContact O-N 3.07Å; E145-G148 PolarHBondContact O-N 3.44Å; E145-G148 VanDerWaalsContact O-N 3.14Å
149	G	96.7	Very high	97.6	Very high	42 Å²	42	65.5 Å²	65.5	43%	0.433	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	6.6	176	0	0	0	0	0	115.7	C52 G53 L147	C52-G149 CarbonylContact C-O 3.42Å; G53-G149 WeakPolarHBondContact CA-O 3.23Å; G53-G149 PolarHBondContact N-O 3.27Å; G53-G149 VanDerWaalsContact N-O 3.12Å; L147-G149 PolarHBondContact O-N 3.31Å; L147-G149 VanDerWaalsContact O-N 3.09Å
150	N	98.8	Very high	97.7	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.027	34%	0.34	C	S	.	.			trans	-115.9	122.3	-177.2	-66.7	-89.5	0	0	0	111.4	G53 G123 M124 S127 T146 L147 Y157	G53-N150 PolarHBondContact O-OD1 2.97Å; G123-N150 VanDerWaalsContact C-OD1 3.3Å; G123-N150 PolarHBondContact O-OD1 3.48Å; M124-N150 HydrophobicContact CE-CB 3.49Å; M124-N150 VanDerWaalsContact CE-CB 3.49Å; M124-N150 WeakPolarHBondContact CE-O 3.42Å; M124-N150 HydrophobicContact CG-CB 4.47Å; M124-N150 HydrophobicContact SD-CB 3.4Å; M124-N150 WeakPolarHBondContact SD-CB 3.41Å; S127-N150 WeakPolarHBondContact CB-ND2 3.31Å; S127-N150 PolarHBondContact OG-ND2 3.26Å; T146-N150 PolarHBondContact O-ND2 3.37Å; L147-N150 PolarHBondContact O-N 2.91Å; N150-Y157 WeakPolarHBondContact O-CE1 3.42Å
151	L	98.7	Very high	97.8	Very high	95 Å²	95	62.9 Å²	62.9	50%	0.497	34%	0.336	S	S	.	.			trans	-98.6	135.3	-179.1	-61.7	-179.4	0	0	0	112.2	C52 C120 Y157	C52-L151 HydrophobicContact CB-CB 4.42Å; C52-L151 HydrophobicContact CB-CD1 4.25Å; C52-L151 PolarHBondContact O-N 3.08Å; C120-L151 WeakPolarHBondContact CB-O 3.35Å; L151-Y157 WeakPolarHBondContact CA-OH 3.22Å
152	C	98.7	Very high	97.8	Very high	14 Å²	14	60 Å²	60	10%	0.095	32%	0.322	C	S	.	.			trans	-131.2	130.7	171.6	-173.5	0	0	0	0	110.8	C120 M124 T155 Y157 I160	C120-C152 PolarHBondContact SG-SG 3.21Å; M124-C152 HydrophobicContact CE-CB 3.88Å; C152-T155 PolarHBondContact SG-OG1 2.83Å; C152-Y157 HydrophobicContact CB-CD1 4.31Å; C152-Y157 HydrophobicContact CB-CE1 3.85Å; C152-Y157 PolarHBondContact N-OH 2.89Å; C152-Y157 PolarHBondContact O-OH 3.17Å; C152-I160 HydrophobicContact CB-CD1 4.28Å
153	R	98.6	Very high	97.8	Very high	246 Å²	246	57.8 Å²	57.8	93%	0.928	31%	0.313	S	S	*	.	S	Bend	trans	-96.9	-14.1	179.1	-165.1	54.7	175.8	176.9	2.4	114.3
154	C	98.6	Very high	97.7	Very high	51 Å²	51	57.8 Å²	57.8	35%	0.345	31%	0.312	S	S	.	.	S	Bend	trans	-103.9	-45.1	-168.2	-58.2	0	0	0	0	113.3	Q116 C117	Q116-C154 HydrophobicContact CB-CB 3.81Å; Q116-C154 HydrophobicContact CG-CB 4.38Å; Q116-C154 PolarHBondContact NE2-O 2.67Å; Q116-C154 PolarHBondContact OE1-O 3.06Å; C117-C154 VanDerWaalsContact SG-SG 3.61Å
155	T	97.8	Very high	97.6	Very high	16 Å²	16	57 Å²	57	10%	0.098	31%	0.307	C	S	.	.	S	Bend	trans	-87.6	-14.6	-164.5	64.4	0	0	0	0	114.9	Q116 C152 Y157 P159 I160	Q116-T155 HydrophobicContact CB-CG2 4.44Å; Q116-T155 HydrophobicContact CG-CG2 4.12Å; C152-T155 PolarHBondContact SG-OG1 2.83Å; T155-Y157 PolarHBondContact O-N 3.45Å; T155-Y157 PolarHBondContact OG1-N 2.7Å; T155-P159 WeakPolarHBondContact O-CD 3.32Å; T155-I160 HydrophobicContact CG2-CD1 4.45Å; T155-I160 WeakPolarHBondContact OG1-CD1 3.3Å
156	G	97.1	Very high	97.5	Very high	58 Å²	58	49.9 Å²	49.9	60%	0.598	27%	0.274	S	S	*	.			trans	64.7	18.7	-170.1	0	0	0	0	0	113.8	R158	G156-R158 PolarHBondContact O-N 3.18Å
157	Y	98.2	Very high	97.4	Very high	85 Å²	85	49.4 Å²	49.4	33%	0.333	27%	0.27	S	S	.	.	S	Bend	trans	63.9	-33	178	-58	-86.4	0	0	0	117.5	M124 N150 L151 C152 T155 I160 V161	M124-Y157 HydrophobicContact CE-CD1 4.25Å; M124-Y157 HydrophobicContact CE-CE1 3.91Å; N150-Y157 WeakPolarHBondContact O-CE1 3.42Å; L151-Y157 WeakPolarHBondContact CA-OH 3.22Å; C152-Y157 HydrophobicContact CB-CD1 4.31Å; C152-Y157 HydrophobicContact CB-CE1 3.85Å; C152-Y157 PolarHBondContact N-OH 2.89Å; C152-Y157 PolarHBondContact O-OH 3.17Å; T155-Y157 PolarHBondContact O-N 3.45Å; T155-Y157 PolarHBondContact OG1-N 2.7Å; Y157-I160 WeakPolarHBondContact O-CA 3.4Å; Y157-I160 WeakPolarHBondContact O-CB 3.24Å; Y157-I160 PolarHBondContact O-N 2.93Å; Y157-V161 PolarHBondContact O-N 2.97Å
158	R	97.9	Very high	97.2	Very high	116 Å²	116	49.7 Å²	49.7	44%	0.438	27%	0.273	S	S	.	.	H	α-helix	trans	-42.7	-54.5	-178	-176	-137.6	67.1	102.7	7.9	113.8	G156 I160 V161 E162	G156-R158 PolarHBondContact O-N 3.18Å; R158-I160 VanDerWaalsContact C-N 3.3Å; R158-I160 PolarHBondContact O-N 3.38Å; R158-V161 PolarHBondContact O-N 3.16Å; R158-E162 IonicContact CZ-OE1 2.63Å; R158-E162 IonicContact CZ-OE2 3.81Å; R158-E162 IonicContact NH1-OE1 3.17Å; R158-E162 PolarHBondContact NH1-OE1 3.5Å; R158-E162 IonicContact NH1-OE2 2.88Å; R158-E162 PolarHBondContact NH1-OE2 3.25Å; R158-E162 IonicContact NH2-OE2 3.35Å; R158-E162 PolarHBondContact NH2-OE2 3.01Å; R158-E162 PolarHBondContact O-N 3.17Å
159	P	97.8	Very high	96.5	Very high	9 Å²	9	50.1 Å²	50.1	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-67	-28	180	25.9	-34.4	0	0	0	114	G112 H113 T155 S163	G112-P159 WeakPolarHBondContact O-CB 3.23Å; H113-P159 VanDerWaalsContact O-CB 3.3Å; H113-P159 WeakPolarHBondContact O-CB 3.49Å; H113-P159 WeakPolarHBondContact O-CG 3.41Å; T155-P159 WeakPolarHBondContact O-CD 3.32Å; P159-S163 WeakPolarHBondContact O-CB 3.33Å; P159-S163 PolarHBondContact O-N 3.47Å; P159-S163 PolarHBondContact O-OG 3Å
160	I	98.4	Very high	94.8	Very high	2 Å²	2	54 Å²	54	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-69.4	-48.4	177	-60.3	172.1	0	0	0	109.4	I109 G114 M124 L147 C152 T155 Y157 R158 S163 A164	I109-I160 HydrophobicContact CD1-CG2 4.11Å; G114-I160 VanDerWaalsContact O-CG1 3.24Å; G114-I160 WeakPolarHBondContact O-CG1 3.2Å; M124-I160 HydrophobicContact CE-CD1 3.99Å; M124-I160 HydrophobicContact CG-CD1 4.28Å; M124-I160 HydrophobicContact CG-CG2 4.47Å; M124-I160 HydrophobicContact SD-CD1 4.25Å; M124-I160 HydrophobicContact SD-CG2 4.07Å; L147-I160 HydrophobicContact CD1-CG2 4.19Å; L147-I160 HydrophobicContact CD2-CG2 4.49Å; C152-I160 HydrophobicContact CB-CD1 4.28Å; T155-I160 HydrophobicContact CG2-CD1 4.45Å; T155-I160 WeakPolarHBondContact OG1-CD1 3.3Å; Y157-I160 WeakPolarHBondContact O-CA 3.4Å; Y157-I160 WeakPolarHBondContact O-CB 3.24Å; Y157-I160 PolarHBondContact O-N 2.93Å; R158-I160 VanDerWaalsContact C-N 3.3Å; R158-I160 PolarHBondContact O-N 3.38Å; I160-S163 WeakPolarHBondContact O-CB 3.4Å; I160-S163 PolarHBondContact O-N 3.4Å; I160-A164 PolarHBondContact O-N 3.35Å
161	V	97.8	Very high	92.4	Very high	22 Å²	22	58.1 Å²	58.1	13%	0.133	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-43.2	179	176	0	0	0	0	110.8	M144 L147 Y157 R158 S163 A164 K165	M144-V161 HydrophobicContact SD-CG1 4.03Å; M144-V161 HydrophobicContact SD-CG2 4.21Å; L147-V161 HydrophobicContact CD1-CG2 4.14Å; Y157-V161 PolarHBondContact O-N 2.97Å; R158-V161 PolarHBondContact O-N 3.16Å; V161-S163 VanDerWaalsContact C-N 3.32Å; V161-S163 PolarHBondContact O-N 2.99Å; V161-A164 PolarHBondContact O-N 2.93Å; V161-K165 HydrophobicContact CG1-CD 4.14Å; V161-K165 HydrophobicContact CG1-CG 4.37Å; V161-K165 WeakPolarHBondContact O-CB 3.43Å; V161-K165 WeakPolarHBondContact O-CG 3.44Å; V161-K165 PolarHBondContact O-N 3.3Å
162	E	96.4	Very high	89.7	Confident	73 Å²	73	59.7 Å²	59.7	34%	0.341	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-40.3	174.3	-81	-178.8	174.8	0	0	112.8	R158 A164 K165 S166	R158-E162 IonicContact CZ-OE1 2.63Å; R158-E162 IonicContact CZ-OE2 3.81Å; R158-E162 IonicContact NH1-OE1 3.17Å; R158-E162 PolarHBondContact NH1-OE1 3.5Å; R158-E162 IonicContact NH1-OE2 2.88Å; R158-E162 PolarHBondContact NH1-OE2 3.25Å; R158-E162 IonicContact NH2-OE2 3.35Å; R158-E162 PolarHBondContact NH2-OE2 3.01Å; R158-E162 PolarHBondContact O-N 3.17Å; E162-A164 VanDerWaalsContact C-N 3.34Å; E162-K165 PolarHBondContact O-N 3.41Å; E162-S166 PolarHBondContact O-N 2.59Å
163	S	96.3	Very high	87.1	Confident	4 Å²	4	62.5 Å²	62.5	3%	0.028	35%	0.346	C	S	.	.	H	α-helix	trans	-62.5	-42.3	175.6	-60.7	0	0	0	0	111.1	R108 P159 I160 V161 S166	R108-S163 PolarHBondContact O-OG 2.83Å; P159-S163 WeakPolarHBondContact O-CB 3.33Å; P159-S163 PolarHBondContact O-N 3.47Å; P159-S163 PolarHBondContact O-OG 3Å; I160-S163 WeakPolarHBondContact O-CB 3.4Å; I160-S163 PolarHBondContact O-N 3.4Å; V161-S163 VanDerWaalsContact C-N 3.32Å; V161-S163 PolarHBondContact O-N 2.99Å; S163-S166 VanDerWaalsContact O-CB 3.28Å; S163-S166 WeakPolarHBondContact O-CB 3.43Å; S163-S166 PolarHBondContact O-N 3.16Å; S163-S166 PolarHBondContact O-OG 3.43Å
164	A	96.8	Very high	84.3	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-66.7	-43.1	175.9	0	0	0	0	0	112.2	I128 I143 I160 V161 E162 S166 F167	I128-A164 HydrophobicContact CD1-CB 3.99Å; I128-A164 HydrophobicContact CG1-CB 4.28Å; I143-A164 HydrophobicContact CD1-CB 4.06Å; I143-A164 HydrophobicContact CG1-CB 4.27Å; I143-A164 HydrophobicContact CG2-CB 3.52Å; I160-A164 PolarHBondContact O-N 3.35Å; V161-A164 PolarHBondContact O-N 2.93Å; E162-A164 VanDerWaalsContact C-N 3.34Å; A164-S166 PolarHBondContact O-N 3.25Å; A164-F167 WeakPolarHBondContact O-CB 3.21Å; A164-F167 WeakPolarHBondContact O-CD2 3.32Å; A164-F167 PolarHBondContact O-N 3.4Å
165	K	95.5	Very high	81.7	Confident	89 Å²	89	62.2 Å²	62.2	39%	0.387	36%	0.361	S	S	.	.	H	α-helix	trans	-60.2	-17.9	176.4	-76.4	178.9	173.5	-175.4	0	113.6	I143 V161 E162 F167 C168	I143-K165 HydrophobicContact CD1-CG 4.33Å; V161-K165 HydrophobicContact CG1-CD 4.14Å; V161-K165 HydrophobicContact CG1-CG 4.37Å; V161-K165 WeakPolarHBondContact O-CB 3.43Å; V161-K165 WeakPolarHBondContact O-CG 3.44Å; V161-K165 PolarHBondContact O-N 3.3Å; E162-K165 PolarHBondContact O-N 3.41Å; K165-F167 PolarHBondContact O-N 3.25Å; K165-C168 WeakPolarHBondContact O-CB 3.33Å; K165-C168 PolarHBondContact O-N 3.36Å; K165-C168 VanDerWaalsContact O-N 3.14Å
166	S	95.1	Very high	79	Confident	11 Å²	11	69.4 Å²	69.4	8%	0.077	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.4	172.7	79.1	0	0	0	0	113.8	R108 E162 S163 A164	R108-S166 WeakPolarHBondContact CD-OG 3.35Å; R108-S166 VanDerWaalsContact NH1-C 3.3Å; R108-S166 PolarHBondContact NH1-O 2.91Å; R108-S166 PolarHBondContact NH1-OG 3.04Å; E162-S166 PolarHBondContact O-N 2.59Å; S163-S166 VanDerWaalsContact O-CB 3.28Å; S163-S166 WeakPolarHBondContact O-CB 3.43Å; S163-S166 PolarHBondContact O-N 3.16Å; S163-S166 PolarHBondContact O-OG 3.43Å; A164-S166 PolarHBondContact O-N 3.25Å
167	F	95.6	Very high	76.4	Confident	19 Å²	19	75.1 Å²	75.1	8%	0.083	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-10.4	175.3	-63	-76.4	0	0	0	113.5	P104 V105 R108 I128 L132 P138 A164 K165 L210	P104-F167 HydrophobicContact CB-CE1 4.04Å; P104-F167 HydrophobicContact CB-CZ 4.18Å; V105-F167 HydrophobicContact CB-CZ 4.46Å; V105-F167 HydrophobicContact CG2-CE2 4.07Å; V105-F167 HydrophobicContact CG2-CZ 3.84Å; R108-F167 HydrophobicContact CG-CZ 4.31Å; R108-F167 VanDerWaalsContact CZ-CE1 3.47Å; I128-F167 HydrophobicContact CG2-CD2 4.47Å; I128-F167 HydrophobicContact CG2-CE2 4.41Å; L132-F167 HydrophobicContact CD1-CD1 3.93Å; L132-F167 HydrophobicContact CD1-CD2 4.05Å; L132-F167 HydrophobicContact CD1-CE1 4.05Å; L132-F167 HydrophobicContact CD1-CE2 4.17Å; L132-F167 HydrophobicContact CD1-CG 3.94Å; L132-F167 HydrophobicContact CD1-CZ 4.17Å; L132-F167 HydrophobicContact CD2-CB 3.79Å; L132-F167 HydrophobicContact CD2-CD1 4.31Å; L132-F167 HydrophobicContact CD2-CG 4.02Å; P138-F167 HydrophobicContact CG-CB 4.44Å; A164-F167 WeakPolarHBondContact O-CB 3.21Å; A164-F167 WeakPolarHBondContact O-CD2 3.32Å; A164-F167 PolarHBondContact O-N 3.4Å; K165-F167 PolarHBondContact O-N 3.25Å; F167-L210 HydrophobicContact CD1-CB 4.35Å; F167-L210 HydrophobicContact CD1-CD2 4.26Å; F167-L210 HydrophobicContact CE1-CB 4.26Å
168	C	92.9	Very high	73.9	Confident	21 Å²	21	73.5 Å²	73.5	14%	0.142	42%	0.421	C	S	.	.	S	Bend	trans	-68.5	144.5	174	-61.8	0	0	0	0	110.4	P138 I143 K165	P138-C168 PolarHBondContact O-SG 3.49Å; I143-C168 WeakPolarHBondContact CD1-SG 3.18Å; K165-C168 WeakPolarHBondContact O-CB 3.33Å; K165-C168 PolarHBondContact O-N 3.36Å; K165-C168 VanDerWaalsContact O-N 3.14Å
169	P	82.1	Confident	71.3	Confident	73 Å²	73	78.1 Å²	78.1	47%	0.474	45%	0.448	S	S	.	.			trans	-58.2	141.6	162.1	25.9	-30.1	0	0	0	107.9	E137 S171	E137-P169 HydrophobicContact CB-CG 4.33Å; P169-S171 PolarHBondContact O-N 2.99Å
170	S	61.9	Low	68.8	Low	124 Å²	124	80.9 Å²	80.9	87%	0.867	48%	0.477	S	S	*	.			trans	-55.5	102.1	-169.8	50.8	0	0	0	0	112.1
171	S	48.8	Very low	66.2	Low	92 Å²	92	87.6 Å²	87.6	64%	0.643	51%	0.507	S	S	*	.			trans	-87.8	117.5	155.6	55.6	0	0	0	0	107.7	P169 C173	P169-S171 PolarHBondContact O-N 2.99Å; S171-C173 PolarHBondContact O-N 3.45Å
172	T	42.6	Very low	63.8	Low	128 Å²	128	88.7 Å²	88.7	79%	0.785	52%	0.515	S	S	*	.			trans	-41.6	127.9	164.9	-48.5	0	0	0	0	109.7
173	C	42.3	Very low	61.6	Low	72 Å²	72	91.4 Å²	91.4	49%	0.486	54%	0.54	S	S	.	.	S	Bend	trans	28	114.5	153.7	175.3	0	0	0	0	117.8	S171 Q175	S171-C173 PolarHBondContact O-N 3.45Å; C173-Q175 PolarHBondContact O-N 2.96Å
174	C	40.8	Very low	59.4	Low	105 Å²	105	98.2 Å²	98.2	71%	0.709	58%	0.575	S	S	*	*			trans	37.2	81.4	148.4	-56	0	0	0	0	117.4	M176	C174-M176 VanDerWaalsContact C-N 3.25Å; C174-M176 PolarHBondContact O-N 3.19Å
175	Q	44.3	Very low	56.8	Low	186 Å²	186	103.6 Å²	103.6	87%	0.869	60%	0.604	S	S	*	*			trans	-87.2	69.7	155.6	-69.2	-175.7	-6.3	0	0	109.4	C173	C173-Q175 PolarHBondContact O-N 2.96Å
176	M	39.9	Very low	54.3	Low	168 Å²	168	106.7 Å²	106.7	83%	0.828	62%	0.62	S	S	*	*			trans	-81.4	122	150.4	-82	178.7	65.7	0	0	105.7	C174 G178	C174-M176 VanDerWaalsContact C-N 3.25Å; C174-M176 PolarHBondContact O-N 3.19Å; M176-G178 PolarHBondContact O-N 2.87Å
177	N	43.4	Very low	51.9	Low	177 Å²	177	114.7 Å²	114.7	95%	0.947	66%	0.656	S	S	*	*	S	Bend	trans	-68	62.4	171.2	-82.7	-11.9	0	0	0	111
178	G	44.3	Very low	49.3	Very low	51 Å²	51	122.9 Å²	122.9	53%	0.526	69%	0.692	S	S	.	*	S	Bend	trans	-126.9	142.2	161.8	0	0	0	0	0	107.2	M176 G180	M176-G178 PolarHBondContact O-N 2.87Å; G178-G180 PolarHBondContact O-N 3.2Å
179	E	44.1	Very low	46.7	Very low	214 Å²	214	129.5 Å²	129.5	100%	1	73%	0.726	S	S	*	*	S	Bend	trans	-63.7	15.3	174.5	-60.1	177.6	152	0	0	113.2	K181	E179-K181 PolarHBondContact O-N 3.3Å
180	G	44.7	Very low	44.3	Very low	66 Å²	66	135.3 Å²	135.3	68%	0.68	75%	0.747	S	S	*	*			trans	-81.6	105	179.8	0	0	0	0	0	111.2	G178 C182	G178-G180 PolarHBondContact O-N 3.2Å; G180-C182 PolarHBondContact O-N 3.13Å
181	K	45	Very low	43.3	Very low	144 Å²	144	135 Å²	135	63%	0.626	74%	0.742	S	S	*	*			trans	-41.1	127.2	160.5	-152.9	178	-176.1	-172.2	0	109.7	E179 C183 E186	E179-K181 PolarHBondContact O-N 3.3Å; K181-C183 PolarHBondContact O-N 3.3Å; K181-E186 IonicContact NZ-OE1 2.69Å; K181-E186 PolarHBondContact NZ-OE1 3.12Å
182	C	47.9	Very low	43.2	Very low	44 Å²	44	139 Å²	139	30%	0.297	75%	0.75	S	S	.	*			trans	-60.1	125.4	177.4	-171.2	0	0	0	0	109.1	G180 L184 D185	G180-C182 PolarHBondContact O-N 3.13Å; C182-L184 PolarHBondContact O-N 3.45Å; C182-D185 PolarHBondContact O-N 2.83Å
183	C	49.1	Very low	43.1	Very low	131 Å²	131	144.4 Å²	144.4	89%	0.885	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	8.7	-171.3	-52	0	0	0	0	115.5	K181	K181-C183 PolarHBondContact O-N 3.3Å
184	L	50.1	Low	43.5	Very low	146 Å²	146	150.3 Å²	150.3	76%	0.764	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.9	-1.7	-178.6	-68.4	171.2	0	0	0	113.5	C182	C182-L184 PolarHBondContact O-N 3.45Å
185	D	43.1	Very low	43.8	Very low	115 Å²	115	151.8 Å²	151.8	62%	0.615	78%	0.775	S	S	*	*			trans	-89.9	5.7	-179	-69.1	-34.5	0	0	0	114.1	C182	C182-D185 PolarHBondContact O-N 2.83Å
186	E	41.7	Very low	44.2	Very low	153 Å²	153	148.6 Å²	148.6	72%	0.715	77%	0.773	S	S	*	*			trans	-101.4	67	173.2	-62.3	-153.4	167.4	0	0	111.9	K181	K181-E186 IonicContact NZ-OE1 2.69Å; K181-E186 PolarHBondContact NZ-OE1 3.12Å
187	E	44.8	Very low	44.9	Very low	179 Å²	179	145.9 Å²	145.9	84%	0.836	77%	0.765	S	S	*	*			trans	-114.8	82.5	160	-77	-166.4	171.4	0	0	110.2
188	K	41.8	Very low	45.5	Very low	192 Å²	192	142.1 Å²	142.1	84%	0.835	75%	0.752	S	S	*	*	S	Bend	trans	-156.1	96.1	141	-72.3	-157.7	-178.6	170	0	111
189	N	37.5	Very low	47	Very low	159 Å²	159	145.6 Å²	145.6	85%	0.85	76%	0.763	S	S	*	*	S	Bend	trans	138.5	87.2	141.7	-72.1	-29.3	0	0	0	111.8
190	E	31.5	Very low	48.8	Very low	196 Å²	196	142.3 Å²	142.3	92%	0.916	75%	0.745	S	S	*	*			trans	-174.3	154.5	134.9	-103.7	-178	-167.7	0	0	111.1
191	P	41.1	Very low	50.9	Low	118 Å²	118	144.7 Å²	144.7	77%	0.766	74%	0.742	S	S	*	*			trans	-85.2	142.1	-159.3	33.6	-33.4	0	0	0	114.3
192	E	47.7	Very low	53	Low	176 Å²	176	140.4 Å²	140.4	82%	0.822	72%	0.722	S	S	*	*			trans	30	100.7	156.8	-63.3	-168.5	148.3	0	0	120.3
193	R	39.7	Very low	55	Low	241 Å²	241	142.1 Å²	142.1	91%	0.909	73%	0.726	S	S	*	*			trans	-139.9	94.3	134.9	-122.3	-179.8	-173.6	-178	2.9	109.6	N195	R193-N195 VanDerWaalsContact C-N 3.26Å; R193-N195 PolarHBondContact O-N 3.23Å
194	K	50.4	Low	56.9	Low	195 Å²	195	141.7 Å²	141.7	85%	0.848	71%	0.709	S	S	*	*			trans	-68	82.6	170.5	-80.6	178.5	177.6	168.4	0	110.2
195	N	47.1	Very low	58.7	Low	137 Å²	137	144.2 Å²	144.2	73%	0.733	71%	0.714	S	S	*	*			trans	-108.6	80.8	151.1	-89.7	-2.4	0	0	0	106.5	R193 V197	R193-N195 VanDerWaalsContact C-N 3.26Å; R193-N195 PolarHBondContact O-N 3.23Å; N195-V197 PolarHBondContact O-N 2.83Å
196	S	53.8	Low	61	Low	118 Å²	118	144.9 Å²	144.9	83%	0.825	71%	0.713	S	S	*	*			trans	-72.2	76.2	171.4	70.2	0	0	0	0	108.5	C198	S196-C198 PolarHBondContact O-N 2.71Å
197	V	55	Low	63.5	Low	111 Å²	111	138.5 Å²	138.5	67%	0.673	68%	0.683	S	S	*	*			trans	-63	111	163.6	-179.3	0	0	0	0	105	N195 T199	N195-V197 PolarHBondContact O-N 2.83Å; V197-T199 WeakPolarHBondContact O-CG2 3.48Å; V197-T199 PolarHBondContact O-N 3.39Å
198	C	55.9	Low	65.8	Low	98 Å²	98	133.5 Å²	133.5	66%	0.662	66%	0.659	S	S	*	*			trans	-63.8	108	173.3	-173.5	0	0	0	0	107.7	S196 K200	S196-C198 PolarHBondContact O-N 2.71Å; C198-K200 VanDerWaalsContact C-N 3.35Å
199	T	74.3	Confident	68.3	Low	124 Å²	124	128.9 Å²	128.9	76%	0.761	65%	0.649	S	S	*	*			trans	-85.5	-3.9	-174.1	48.8	0	0	0	0	113.7	V197	V197-T199 WeakPolarHBondContact O-CG2 3.48Å; V197-T199 PolarHBondContact O-N 3.39Å
200	K	81.9	Confident	71.1	Confident	146 Å²	146	123 Å²	123	64%	0.635	62%	0.618	S	S	*	*			trans	-87.8	128.6	-176.8	-67.6	-178.8	-177.3	172.5	0	110.8	C198 Y202	C198-K200 VanDerWaalsContact C-N 3.35Å; K200-Y202 VanDerWaalsContact C-N 3.33Å
201	L	89.7	Confident	74.1	Confident	115 Å²	115	116.8 Å²	116.8	60%	0.602	59%	0.591	S	S	*	*	S	Bend	trans	-78.4	-16.2	179.7	-62	177.7	0	0	0	113.7	H113	H113-L201 PolarHBondContact NE2-O 3.06Å
202	Y	89.5	Confident	76.5	Confident	55 Å²	55	114.6 Å²	114.6	22%	0.216	58%	0.576	C	S	.	*	S	Bend	trans	-162.7	158.5	178.5	59.9	-91.1	0	0	0	111.4	K111 K200 K204 F207	K111-Y202 WeakPolarHBondContact O-CB 3.48Å; K200-Y202 VanDerWaalsContact C-N 3.33Å; Y202-K204 HydrophobicContact CE2-CB 4.41Å; Y202-F207 HydrophobicContact CD2-CE1 4.29Å; Y202-F207 HydrophobicContact CD2-CE2 4.07Å; Y202-F207 AromaticContact CD2-CZ 3.47Å; Y202-F207 HydrophobicContact CD2-CZ 3.47Å; Y202-F207 VanDerWaalsContact CD2-CZ 3.47Å; Y202-F207 AromaticContact CE2-CE2 3.74Å; Y202-F207 HydrophobicContact CE2-CE2 3.74Å; Y202-F207 AromaticContact CE2-CZ 3.55Å; Y202-F207 HydrophobicContact CE2-CZ 3.55Å; Y202-F207 HydrophobicContact CG-CZ 4.46Å
203	E	89.6	Confident	78.6	Confident	80 Å²	80	111.3 Å²	111.3	37%	0.374	57%	0.569	S	S	.	*			trans	-93.9	101.1	179.2	-70.6	-59.1	149.6	0	0	111.9	K205 E206	E203-K205 PolarHBondContact O-N 3.44Å; E203-K205 VanDerWaalsContact O-N 3.14Å; E203-E206 HydrophobicContact CB-CG 3.89Å; E203-E206 PolarHBondContact O-N 2.84Å; E203-E206 VanDerWaalsContact O-N 3.16Å
204	K	87.9	Confident	81.1	Confident	122 Å²	122	106 Å²	106	53%	0.53	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-60	-26.2	-179.1	-171.7	178	177.8	-178.3	0	113.2	Y202 E206 F207	Y202-K204 HydrophobicContact CE2-CB 4.41Å; K204-E206 PolarHBondContact O-N 2.94Å; K204-F207 HydrophobicContact CB-CD2 4.45Å; K204-F207 HydrophobicContact CB-CE2 4.36Å; K204-F207 HydrophobicContact CG-CD2 3.89Å; K204-F207 HydrophobicContact CG-CE2 4.02Å; K204-F207 WeakPolarHBondContact O-CD2 3.02Å; K204-F207 PolarHBondContact O-N 3.14Å
205	K	88.6	Confident	83.2	Confident	199 Å²	199	98 Å²	98	87%	0.865	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-69.4	-19	-179.2	-65.2	-178.5	-179.8	179.5	0	113.2	E203 F207	E203-K205 PolarHBondContact O-N 3.44Å; E203-K205 VanDerWaalsContact O-N 3.14Å; K205-F207 VanDerWaalsContact C-N 3.33Å
206	E	91.8	Very high	85.3	Confident	128 Å²	128	94.5 Å²	94.5	60%	0.598	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-85.3	-6.8	-179.8	-62.4	-179.7	-173.2	0	0	113.3	E203 K204	E203-E206 HydrophobicContact CB-CG 3.89Å; E203-E206 PolarHBondContact O-N 2.84Å; E203-E206 VanDerWaalsContact O-N 3.16Å; K204-E206 PolarHBondContact O-N 2.94Å
207	F	94.4	Very high	87.2	Confident	20 Å²	20	95.9 Å²	95.9	9%	0.088	50%	0.497	C	S	.	.	S	Bend	trans	-69.8	137.3	179.5	-65	-24.3	0	0	0	111.4	E107 R108 K111 Y202 K204 K205	E107-F207 HydrophobicContact CG-CD1 4.48Å; R108-F207 HydrophobicContact CB-CD2 4.45Å; R108-F207 HydrophobicContact CB-CE2 4.28Å; R108-F207 HydrophobicContact CB-CZ 4.39Å; R108-F207 HydrophobicContact CG-CB 4.05Å; R108-F207 HydrophobicContact CG-CD1 3.99Å; R108-F207 HydrophobicContact CG-CD2 3.6Å; R108-F207 HydrophobicContact CG-CE1 4.31Å; R108-F207 HydrophobicContact CG-CE2 3.91Å; R108-F207 HydrophobicContact CG-CG 3.63Å; R108-F207 HydrophobicContact CG-CZ 4.25Å; K111-F207 HydrophobicContact CB-CE1 3.68Å; K111-F207 HydrophobicContact CB-CZ 4.37Å; K111-F207 HydrophobicContact CD-CD1 4.17Å; K111-F207 HydrophobicContact CD-CE1 3.93Å; K111-F207 HydrophobicContact CG-CE1 4.45Å; Y202-F207 HydrophobicContact CD2-CE1 4.29Å; Y202-F207 HydrophobicContact CD2-CE2 4.07Å; Y202-F207 AromaticContact CD2-CZ 3.47Å; Y202-F207 HydrophobicContact CD2-CZ 3.47Å; Y202-F207 VanDerWaalsContact CD2-CZ 3.47Å; Y202-F207 AromaticContact CE2-CE2 3.74Å; Y202-F207 HydrophobicContact CE2-CE2 3.74Å; Y202-F207 AromaticContact CE2-CZ 3.55Å; Y202-F207 HydrophobicContact CE2-CZ 3.55Å; Y202-F207 HydrophobicContact CG-CZ 4.46Å; K204-F207 HydrophobicContact CB-CD2 4.45Å; K204-F207 HydrophobicContact CB-CE2 4.36Å; K204-F207 HydrophobicContact CG-CD2 3.89Å; K204-F207 HydrophobicContact CG-CE2 4.02Å; K204-F207 WeakPolarHBondContact O-CD2 3.02Å; K204-F207 PolarHBondContact O-N 3.14Å; K205-F207 VanDerWaalsContact C-N 3.33Å
208	Q	93.3	Very high	89.2	Confident	73 Å²	73	91.3 Å²	91.3	34%	0.341	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-61.8	140	170.8	-63.4	-170.2	16.6	0	0	109.9	P104 E107 R108	P104-Q208 HydrophobicContact CG-CB 4.43Å; E107-Q208 WeakPolarHBondContact OE2-CB 3.1Å; E107-Q208 WeakPolarHBondContact OE2-CG 3.28Å; E107-Q208 PolarHBondContact OE2-N 2.9Å; R108-Q208 PolarHBondContact NH2-O 2.93Å
209	P	94.3	Very high	91.1	Very high	95 Å²	95	87.3 Å²	87.3	62%	0.617	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-65.1	151.2	171.1	28.7	-33.8	0	0	0	109.9
210	L	94.7	Very high	92.1	Very high	36 Å²	36	85.6 Å²	85.6	19%	0.188	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-77.8	124.6	168.4	-177	66.9	0	0	0	108	P104 L132 F167	P104-L210 HydrophobicContact CG-CD1 4.33Å; L132-L210 HydrophobicContact CB-CD2 4.28Å; L132-L210 HydrophobicContact CD1-CD2 4.08Å; L132-L210 HydrophobicContact CD2-CD2 4.07Å; L132-L210 HydrophobicContact CG-CD2 4.37Å; F167-L210 HydrophobicContact CD1-CB 4.35Å; F167-L210 HydrophobicContact CD1-CD2 4.26Å; F167-L210 HydrophobicContact CE1-CB 4.26Å
211	D	94.6	Very high	92.7	Very high	66 Å²	66	83.1 Å²	83.1	35%	0.353	42%	0.423	S	S	.	.			trans	-114	97.9	172.7	-178.2	-9.4	0	0	0	108.6	T213 Q214	D211-T213 PolarHBondContact O-N 2.58Å; D211-T213 WeakPolarHBondContact OD1-CB 3.38Å; D211-T213 PolarHBondContact OD1-N 3.34Å; D211-T213 PolarHBondContact OD1-OG1 2.99Å; D211-T213 PolarHBondContact OD2-OG1 3.29Å; D211-Q214 HydrophobicContact CB-CG 4.24Å; D211-Q214 PolarHBondContact O-N 2.98Å; D211-Q214 VanDerWaalsContact O-N 3.16Å; D211-Q214 VanDerWaalsContact OD2-CG 3.29Å; D211-Q214 WeakPolarHBondContact OD2-CG 3.38Å
212	P	92.6	Very high	92.8	Very high	71 Å²	71	78 Å²	78	46%	0.461	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-61.3	-16.1	-178.2	-24	34.7	0	0	0	114.1	P136 Q214 E215	P136-P212 HydrophobicContact CB-CG 4.2Å; P212-Q214 VanDerWaalsContact C-N 3.35Å; P212-E215 VanDerWaalsContact O-CG 3.27Å; P212-E215 WeakPolarHBondContact O-CG 3.47Å
213	T	91.4	Very high	92.8	Very high	108 Å²	108	78.7 Å²	78.7	66%	0.663	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-79.7	-19.6	-179.7	73.4	0	0	0	0	113	D211 E215	D211-T213 PolarHBondContact O-N 2.58Å; D211-T213 WeakPolarHBondContact OD1-CB 3.38Å; D211-T213 PolarHBondContact OD1-N 3.34Å; D211-T213 PolarHBondContact OD1-OG1 2.99Å; D211-T213 PolarHBondContact OD2-OG1 3.29Å; T213-E215 VanDerWaalsContact C-N 3.3Å
214	Q	91.7	Very high	92.5	Very high	128 Å²	128	79.3 Å²	79.3	60%	0.598	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-94.4	12.4	-179.1	-61.3	-58.2	-55.4	0	0	112.8	D211 P212	D211-Q214 HydrophobicContact CB-CG 4.24Å; D211-Q214 PolarHBondContact O-N 2.98Å; D211-Q214 VanDerWaalsContact O-N 3.16Å; D211-Q214 VanDerWaalsContact OD2-CG 3.29Å; D211-Q214 WeakPolarHBondContact OD2-CG 3.38Å; P212-Q214 VanDerWaalsContact C-N 3.35Å
215	E	94.4	Very high	91.9	Very high	28 Å²	28	77.1 Å²	77.1	13%	0.131	41%	0.41	C	S	.	.	S	Bend	trans	-72	158.3	177.4	-66.4	-63.8	171	0	0	112.4	H103 Y129 P212 T213 I217	H103-E215 IonicContact CE1-OE1 3.99Å; H103-E215 IonicContact NE2-OE1 3.16Å; H103-E215 PolarHBondContact NE2-OE1 2.76Å; H103-E215 VanDerWaalsContact NE2-OE1 3.16Å; H103-E215 IonicContact NE2-OE2 3.88Å; Y129-E215 WeakPolarHBondContact CE2-OE2 3.16Å; Y129-E215 VanDerWaalsContact CZ-OE2 3.25Å; Y129-E215 PolarHBondContact OH-OE2 3.1Å; P212-E215 VanDerWaalsContact O-CG 3.27Å; P212-E215 WeakPolarHBondContact O-CG 3.47Å; T213-E215 VanDerWaalsContact C-N 3.3Å; E215-I217 PolarHBondContact O-N 2.9Å; E215-I217 VanDerWaalsContact O-N 3.13Å
216	L	91.6	Very high	90.9	Very high	63 Å²	63	68.9 Å²	68.9	33%	0.33	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-57.1	121.1	175.9	-70.1	172.1	0	0	0	110.9	T90 G94 R133	T90-L216 HydrophobicContact CG2-CD1 3.61Å; G94-L216 WeakPolarHBondContact O-CD1 3.47Å; R133-L216 PolarHBondContact NH1-O 3.31Å
217	I	94.8	Very high	89.3	Confident	148 Å²	148	64.4 Å²	64.4	76%	0.759	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-67.3	137.2	174.8	-58.6	172.9	0	0	0	109	E215	E215-I217 PolarHBondContact O-N 2.9Å; E215-I217 VanDerWaalsContact O-N 3.13Å
218	F	96.3	Very high	87.6	Confident	15 Å²	15	69 Å²	69	7%	0.066	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-66	131.8	174.2	-175.7	-94.8	0	0	0	110.3	I69 A88 P220 L222 M223	I69-F218 HydrophobicContact CD1-CB 3.48Å; I69-F218 VanDerWaalsContact CD1-CB 3.48Å; I69-F218 HydrophobicContact CD1-CD1 4.09Å; I69-F218 HydrophobicContact CD1-CG 3.78Å; I69-F218 HydrophobicContact CG1-CB 4.28Å; I69-F218 HydrophobicContact CG1-CD1 4.23Å; I69-F218 HydrophobicContact CG1-CD2 4.44Å; I69-F218 HydrophobicContact CG1-CG 4.06Å; I69-F218 HydrophobicContact CG2-CB 4.4Å; I69-F218 HydrophobicContact CG2-CD2 3.69Å; I69-F218 HydrophobicContact CG2-CE2 4.19Å; I69-F218 HydrophobicContact CG2-CG 4.09Å; A88-F218 HydrophobicContact CB-CD2 4.34Å; A88-F218 HydrophobicContact CB-CE2 4.02Å; F218-P220 VanDerWaalsContact O-CD 3.25Å; F218-P220 WeakPolarHBondContact O-CD 3.47Å; F218-P220 VanDerWaalsContact O-N 3.14Å; F218-L222 HydrophobicContact CE1-CB 3.56Å; F218-L222 HydrophobicContact CE1-CD1 4.35Å; F218-L222 HydrophobicContact CE2-CD1 4.31Å; F218-L222 HydrophobicContact CZ-CB 3.7Å; F218-L222 HydrophobicContact CZ-CD1 3.83Å; F218-L222 HydrophobicContact CZ-CG 4.45Å; F218-M223 HydrophobicContact CD1-CG 3.64Å; F218-M223 HydrophobicContact CD1-SD 4.15Å; F218-M223 HydrophobicContact CE1-CG 3.7Å
219	P	96.6	Very high	85.7	Confident	13 Å²	13	71.2 Å²	71.2	8%	0.084	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-56	117.8	-175.4	-26.5	34.6	0	0	0	112.6	F13 A88 E221 L222	F13-P219 HydrophobicContact CB-CG 3.85Å; F13-P219 HydrophobicContact CD1-CB 3.65Å; F13-P219 HydrophobicContact CD1-CG 3.56Å; F13-P219 HydrophobicContact CD2-CB 4.15Å; F13-P219 HydrophobicContact CD2-CG 4.28Å; F13-P219 HydrophobicContact CE1-CB 3.72Å; F13-P219 HydrophobicContact CE1-CG 4.16Å; F13-P219 HydrophobicContact CE2-CB 4.21Å; F13-P219 HydrophobicContact CG-CB 3.88Å; F13-P219 HydrophobicContact CG-CG 3.63Å; F13-P219 HydrophobicContact CZ-CB 4.01Å; A88-P219 HydrophobicContact CB-CG 4.08Å; P219-E221 PolarHBondContact O-N 3Å; P219-L222 HydrophobicContact CB-CD1 4.14Å; P219-L222 HydrophobicContact CB-CG 4.12Å; P219-L222 HydrophobicContact CG-CD1 4.14Å; P219-L222 WeakPolarHBondContact O-CB 3.48Å; P219-L222 PolarHBondContact O-N 3.43Å
220	P	94.8	Very high	83.6	Confident	88 Å²	88	67.9 Å²	67.9	57%	0.571	38%	0.382	S	S	*	.	H	α-helix	trans	-60.6	-30.9	-176.7	-26.9	35.8	0	0	0	113.6	F218 L222 M223 V224	F218-P220 VanDerWaalsContact O-CD 3.25Å; F218-P220 WeakPolarHBondContact O-CD 3.47Å; F218-P220 VanDerWaalsContact O-N 3.14Å; P220-L222 PolarHBondContact O-N 2.88Å; P220-M223 WeakPolarHBondContact O-CB 3.35Å; P220-M223 PolarHBondContact O-N 3.22Å; P220-V224 PolarHBondContact O-N 3.16Å
221	E	93.8	Very high	81.4	Confident	94 Å²	94	72.9 Å²	72.9	44%	0.439	40%	0.403	S	S	.	.	H	α-helix	trans	-54.3	-39.4	174.5	-70.2	-176.6	-137.6	0	0	112.3	F13 K18 P219 M223 V224 C225	F13-E221 HydrophobicContact CE2-CB 4.34Å; F13-E221 HydrophobicContact CZ-CB 4.01Å; F13-E221 HydrophobicContact CZ-CG 4.4Å; K18-E221 WeakPolarHBondContact CD-OE2 3.38Å; K18-E221 WeakPolarHBondContact CE-OE2 3.31Å; K18-E221 IonicContact NZ-OE2 2.76Å; K18-E221 PolarHBondContact NZ-OE2 3.46Å; P219-E221 PolarHBondContact O-N 3Å; E221-M223 VanDerWaalsContact C-N 3.28Å; E221-M223 PolarHBondContact O-N 3.38Å; E221-V224 PolarHBondContact O-N 2.77Å; E221-C225 PolarHBondContact O-N 3.29Å; E221-C225 PolarHBondContact O-SG 3.44Å; E221-C225 VanDerWaalsContact O-SG 3.4Å
222	L	92.3	Very high	78.9	Confident	7 Å²	7	75 Å²	75	4%	0.037	41%	0.412	C	S	.	.	H	α-helix	trans	-71.5	-23.3	179.9	-65.2	-177.7	0	0	0	113	F13 A87 A88 F218 P219 P220 S226	F13-L222 HydrophobicContact CB-CD1 4.39Å; F13-L222 HydrophobicContact CD2-CD1 3.69Å; F13-L222 HydrophobicContact CD2-CD2 3.75Å; F13-L222 HydrophobicContact CD2-CG 3.65Å; F13-L222 HydrophobicContact CE2-CD1 4.35Å; F13-L222 HydrophobicContact CE2-CD2 3.79Å; F13-L222 HydrophobicContact CE2-CG 3.79Å; F13-L222 HydrophobicContact CG-CD1 4.27Å; A87-L222 WeakPolarHBondContact O-CD1 3.47Å; A88-L222 HydrophobicContact CB-CD1 3.89Å; F218-L222 HydrophobicContact CE1-CB 3.56Å; F218-L222 HydrophobicContact CE1-CD1 4.35Å; F218-L222 HydrophobicContact CE2-CD1 4.31Å; F218-L222 HydrophobicContact CZ-CB 3.7Å; F218-L222 HydrophobicContact CZ-CD1 3.83Å; F218-L222 HydrophobicContact CZ-CG 4.45Å; P219-L222 HydrophobicContact CB-CD1 4.14Å; P219-L222 HydrophobicContact CB-CG 4.12Å; P219-L222 HydrophobicContact CG-CD1 4.14Å; P219-L222 WeakPolarHBondContact O-CB 3.48Å; P219-L222 PolarHBondContact O-N 3.43Å; P220-L222 PolarHBondContact O-N 2.88Å; L222-S226 WeakPolarHBondContact O-CB 3.35Å; L222-S226 PolarHBondContact O-N 3.23Å; L222-S226 PolarHBondContact O-OG 2.94Å
223	M	89.6	Confident	76.6	Confident	70 Å²	70	75.9 Å²	75.9	35%	0.345	41%	0.411	S	S	.	.	H	α-helix	trans	-75.6	-40.9	175.2	-58.2	178.3	69.3	0	0	110.8	Y62 F218 P220 E221 G227	Y62-M223 HydrophobicContact CD1-CB 4.23Å; Y62-M223 HydrophobicContact CD1-CG 4.38Å; Y62-M223 HydrophobicContact CD2-CE 4.05Å; Y62-M223 HydrophobicContact CD2-CG 4.19Å; Y62-M223 HydrophobicContact CE1-CB 4.31Å; Y62-M223 HydrophobicContact CE2-CE 3.67Å; Y62-M223 HydrophobicContact CG-CB 4.44Å; Y62-M223 HydrophobicContact CG-CG 4.09Å; F218-M223 HydrophobicContact CD1-CG 3.64Å; F218-M223 HydrophobicContact CD1-SD 4.15Å; F218-M223 HydrophobicContact CE1-CG 3.7Å; P220-M223 WeakPolarHBondContact O-CB 3.35Å; P220-M223 PolarHBondContact O-N 3.22Å; E221-M223 VanDerWaalsContact C-N 3.28Å; E221-M223 PolarHBondContact O-N 3.38Å; M223-G227 PolarHBondContact O-N 3.02Å
224	V	83	Confident	74.5	Confident	93 Å²	93	75.5 Å²	75.5	56%	0.564	40%	0.404	S	S	*	.	H	α-helix	trans	-69.2	-47.8	-179.9	179.7	0	0	0	0	111	P220 E221 S226 G227 L228	P220-V224 PolarHBondContact O-N 3.16Å; E221-V224 PolarHBondContact O-N 2.77Å; V224-S226 VanDerWaalsContact C-N 3.33Å; V224-S226 PolarHBondContact O-N 3.24Å; V224-G227 PolarHBondContact O-N 3.21Å; V224-G227 VanDerWaalsContact O-N 3.17Å; V224-L228 HydrophobicContact CG1-CD1 4.05Å; V224-L228 PolarHBondContact O-N 3.3Å
225	C	74.5	Confident	72.2	Confident	76 Å²	76	73.3 Å²	73.3	51%	0.514	41%	0.408	S	S	.	.	H	α-helix	trans	-61.4	-39.7	-179.8	-70.5	0	0	0	0	112.7	E221 G227 L228 F229	E221-C225 PolarHBondContact O-N 3.29Å; E221-C225 PolarHBondContact O-SG 3.44Å; E221-C225 VanDerWaalsContact O-SG 3.4Å; C225-G227 VanDerWaalsContact C-N 3.33Å; C225-G227 PolarHBondContact O-N 3.35Å; C225-L228 PolarHBondContact O-N 3.35Å; C225-F229 PolarHBondContact O-N 2.93Å; C225-F229 VanDerWaalsContact O-N 3.16Å
226	S	68	Low	69.7	Low	27 Å²	27	81.3 Å²	81.3	19%	0.189	44%	0.437	C	S	.	.	H	α-helix	trans	-66.2	-33.5	177.1	-58.6	0	0	0	0	112.7	L222 V224 G230	L222-S226 WeakPolarHBondContact O-CB 3.35Å; L222-S226 PolarHBondContact O-N 3.23Å; L222-S226 PolarHBondContact O-OG 2.94Å; V224-S226 VanDerWaalsContact C-N 3.33Å; V224-S226 PolarHBondContact O-N 3.24Å; S226-G230 PolarHBondContact O-N 2.92Å
227	G	58	Low	67.1	Low	34 Å²	34	85.3 Å²	85.3	35%	0.351	45%	0.454	S	S	.	.	H	α-helix	trans	-67.6	-41	176.1	0	0	0	0	0	113.3	M223 V224 C225 F231	M223-G227 PolarHBondContact O-N 3.02Å; V224-G227 PolarHBondContact O-N 3.21Å; V224-G227 VanDerWaalsContact O-N 3.17Å; C225-G227 VanDerWaalsContact C-N 3.33Å; C225-G227 PolarHBondContact O-N 3.35Å; G227-F231 PolarHBondContact O-N 2.88Å; G227-F231 VanDerWaalsContact O-N 3.14Å
228	L	58.4	Low	64.4	Low	117 Å²	117	81.6 Å²	81.6	61%	0.613	45%	0.452	S	S	*	.	H	α-helix	trans	-65.1	-42.9	175.4	-86.8	137.7	0	0	0	112.2	V224 C225 F231 M232	V224-L228 HydrophobicContact CG1-CD1 4.05Å; V224-L228 PolarHBondContact O-N 3.3Å; C225-L228 PolarHBondContact O-N 3.35Å; L228-F231 PolarHBondContact O-N 2.99Å; L228-M232 PolarHBondContact O-N 3.44Å; L228-M232 VanDerWaalsContact O-N 3.08Å
229	F	54.6	Low	61.7	Low	119 Å²	119	85 Å²	85	52%	0.522	47%	0.474	S	S	.	.	H	α-helix	trans	-66.5	-40.4	176.8	-108.8	-88.1	0	0	0	112.9	C225 F231 M232 M233	C225-F229 PolarHBondContact O-N 2.93Å; C225-F229 VanDerWaalsContact O-N 3.16Å; F229-F231 VanDerWaalsContact C-N 3.32Å; F229-F231 PolarHBondContact O-N 3.05Å; F229-M232 PolarHBondContact O-N 3.22Å; F229-M233 PolarHBondContact O-N 2.99Å
230	G	50.4	Low	59	Low	24 Å²	24	93 Å²	93	25%	0.247	51%	0.51	C	S	.	.	H	α-helix	trans	-61.3	-40.2	175.2	0	0	0	0	0	112.5	S226 M233 L234	S226-G230 PolarHBondContact O-N 2.92Å; G230-M233 PolarHBondContact O-N 3.37Å; G230-L234 WeakPolarHBondContact O-CB 3.37Å; G230-L234 WeakPolarHBondContact O-CG 3.35Å; G230-L234 PolarHBondContact O-N 2.99Å
231	F	47.4	Very low	56.5	Low	142 Å²	142	94 Å²	94	62%	0.623	52%	0.517	S	S	*	.	H	α-helix	trans	-64.7	-40.3	175	-135.8	-91.4	0	0	0	112.1	G227 L228 F229 A235	G227-F231 PolarHBondContact O-N 2.88Å; G227-F231 VanDerWaalsContact O-N 3.14Å; L228-F231 PolarHBondContact O-N 2.99Å; F229-F231 VanDerWaalsContact C-N 3.32Å; F229-F231 PolarHBondContact O-N 3.05Å; F231-A235 WeakPolarHBondContact O-CB 3.47Å; F231-A235 PolarHBondContact O-N 3.04Å; F231-A235 VanDerWaalsContact O-N 3.08Å
232	M	43.6	Very low	53.8	Low	110 Å²	110	95.1 Å²	95.1	54%	0.542	53%	0.532	S	S	.	.	H	α-helix	trans	-67.3	-36.8	176.6	-110.5	172.4	64.2	0	0	113.4	L228 F229 R236	L228-M232 PolarHBondContact O-N 3.44Å; L228-M232 VanDerWaalsContact O-N 3.08Å; F229-M232 PolarHBondContact O-N 3.22Å; M232-R236 PolarHBondContact O-N 2.63Å
233	M	43.5	Very low	51.4	Low	90 Å²	90	100 Å²	100	44%	0.443	57%	0.573	S	S	.	*	H	α-helix	trans	-73.3	-42	177.7	-74.5	-65.6	167	0	0	112.1	F229 G230 A235 R236 E237	F229-M233 PolarHBondContact O-N 2.99Å; G230-M233 PolarHBondContact O-N 3.37Å; M233-A235 PolarHBondContact O-N 2.97Å; M233-R236 WeakPolarHBondContact O-CB 3.44Å; M233-R236 PolarHBondContact O-N 3.37Å; M233-E237 PolarHBondContact O-N 3.09Å; M233-E237 VanDerWaalsContact O-N 3.1Å
234	L	46.1	Very low	48.9	Very low	99 Å²	99	99.5 Å²	99.5	52%	0.518	58%	0.576	S	S	.	*	H	α-helix	trans	-60.3	-36.2	172.3	-74.7	167.4	0	0	0	111.8	G230 R236 E237	G230-L234 WeakPolarHBondContact O-CB 3.37Å; G230-L234 WeakPolarHBondContact O-CG 3.35Å; G230-L234 PolarHBondContact O-N 2.99Å; L234-R236 VanDerWaalsContact C-N 3.28Å; L234-R236 PolarHBondContact O-N 3.25Å; L234-E237 PolarHBondContact O-N 3.16Å
235	A	44.9	Very low	47.1	Very low	82 Å²	82	99.3 Å²	99.3	68%	0.678	58%	0.577	S	S	*	*	H	α-helix	trans	-68.1	-24.3	173.7	0	0	0	0	0	113.6	F231 M233	F231-A235 WeakPolarHBondContact O-CB 3.47Å; F231-A235 PolarHBondContact O-N 3.04Å; F231-A235 VanDerWaalsContact O-N 3.08Å; M233-A235 PolarHBondContact O-N 2.97Å
236	R	42.1	Very low	45.7	Very low	197 Å²	197	102.9 Å²	102.9	74%	0.743	59%	0.586	S	S	*	*	H	α-helix	trans	-83.5	-26.8	175.5	-85.9	-175.2	170.8	-175.9	-1.3	113.7	M232 M233 L234 G238	M232-R236 PolarHBondContact O-N 2.63Å; M233-R236 WeakPolarHBondContact O-CB 3.44Å; M233-R236 PolarHBondContact O-N 3.37Å; L234-R236 VanDerWaalsContact C-N 3.28Å; L234-R236 PolarHBondContact O-N 3.25Å; R236-G238 VanDerWaalsContact C-N 3.28Å; R236-G238 PolarHBondContact O-N 3.42Å
237	E	36.8	Very low	44.6	Very low	147 Å²	147	106.6 Å²	106.6	69%	0.687	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	5.7	-178.8	-75.4	-177.5	163.8	0	0	114.5	M233 L234 T239	M233-E237 PolarHBondContact O-N 3.09Å; M233-E237 VanDerWaalsContact O-N 3.1Å; L234-E237 PolarHBondContact O-N 3.16Å; E237-T239 PolarHBondContact O-N 3.22Å
238	G	38.7	Very low	43.8	Very low	69 Å²	69	108.5 Å²	108.5	71%	0.711	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.3	15.1	170.7	0	0	0	0	0	114.9	R236	R236-G238 VanDerWaalsContact C-N 3.28Å; R236-G238 PolarHBondContact O-N 3.42Å
239	T	39.6	Very low	43.3	Very low	88 Å²	88	108.4 Å²	108.4	54%	0.54	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-82.7	128.1	172.2	52.2	0	0	0	0	109	E237	E237-T239 PolarHBondContact O-N 3.22Å
240	H	38.6	Very low	43	Very low	181 Å²	181	106.6 Å²	106.6	84%	0.838	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-48.7	137.3	179.9	-82	-81.9	0	0	0	111.2
241	P	42	Very low	43.1	Very low	109 Å²	109	112 Å²	112	71%	0.708	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-59.7	144.9	179.6	24.5	-32.5	0	0	0	110.3	A243	P241-A243 PolarHBondContact O-N 3.38Å
242	P	38.8	Very low	43.5	Very low	116 Å²	116	112.8 Å²	112.8	75%	0.753	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-59.1	132.8	173	24.7	-31.7	0	0	0	109	C244	P242-C244 VanDerWaalsContact C-N 3.26Å; P242-C244 PolarHBondContact O-N 3.04Å
243	A	40.8	Very low	44.5	Very low	110 Å²	110	112.7 Å²	112.7	91%	0.909	63%	0.629	S	S	*	*			trans	-62.5	82.3	179.3	0	0	0	0	0	111	P241	P241-A243 PolarHBondContact O-N 3.38Å
244	C	37	Very low	45.4	Very low	59 Å²	59	113.8 Å²	113.8	40%	0.399	64%	0.636	S	S	.	*			trans	-116.7	97.6	166.9	-165.5	0	0	0	0	108.5	P242 Q246 L247	P242-C244 VanDerWaalsContact C-N 3.26Å; P242-C244 PolarHBondContact O-N 3.04Å; C244-Q246 PolarHBondContact O-N 2.86Å; C244-L247 HydrophobicContact CB-CD1 4.27Å; C244-L247 PolarHBondContact O-N 2.98Å
245	P	45.4	Very low	46.2	Very low	90 Å²	90	113.7 Å²	113.7	58%	0.584	64%	0.635	S	S	*	*	H	α-helix	trans	-62.4	-24.6	-175.1	19.9	-29.1	0	0	0	113.5
246	Q	44.7	Very low	47.3	Very low	150 Å²	150	118.7 Å²	118.7	70%	0.701	64%	0.637	S	S	*	*	H	α-helix	trans	-67.5	-33.6	176.6	-98.7	91	-6.2	0	0	114.4	C244	C244-Q246 PolarHBondContact O-N 2.86Å
247	L	45.2	Very low	48.7	Very low	106 Å²	106	113.3 Å²	113.3	56%	0.555	63%	0.625	S	S	*	*	H	α-helix	trans	-81.3	-29.9	-177.2	-89.3	146.7	0	0	0	112.5	C244 C250 F251	C244-L247 HydrophobicContact CB-CD1 4.27Å; C244-L247 PolarHBondContact O-N 2.98Å; L247-C250 PolarHBondContact O-N 3.23Å; L247-F251 PolarHBondContact O-N 3.22Å
248	C	41.3	Very low	50.3	Low	73 Å²	73	110.3 Å²	110.3	49%	0.493	62%	0.617	S	S	.	*	H	α-helix	trans	-65.4	-40.2	176.5	-140.5	0	0	0	0	111.2	C250 F251 Y252	C248-C250 PolarHBondContact O-N 3.2Å; C248-F251 PolarHBondContact O-N 3.37Å; C248-Y252 WeakPolarHBondContact O-CD2 3.42Å; C248-Y252 PolarHBondContact O-N 3.14Å
249	L	47.9	Very low	51.9	Low	116 Å²	116	112.3 Å²	112.3	61%	0.607	61%	0.611	S	S	*	*	H	α-helix	trans	-63	-38.4	176.1	-94	140.3	0	0	0	112.9	L253	L249-L253 HydrophobicContact CD2-CD1 4.42Å; L249-L253 WeakPolarHBondContact O-CB 3.31Å; L249-L253 WeakPolarHBondContact O-CD1 3.44Å; L249-L253 PolarHBondContact O-N 3.13Å
250	C	48.5	Very low	53.6	Low	80 Å²	80	115 Å²	115	54%	0.541	61%	0.613	S	S	.	*	H	α-helix	trans	-67.5	-41.7	176.5	-97.1	0	0	0	0	112.6	L247 C248 L253 L254	L247-C250 PolarHBondContact O-N 3.23Å; C248-C250 PolarHBondContact O-N 3.2Å; C250-L253 PolarHBondContact O-N 3.33Å; C250-L254 WeakPolarHBondContact O-CB 3.43Å; C250-L254 WeakPolarHBondContact O-CG 3.48Å; C250-L254 PolarHBondContact O-N 2.84Å
251	F	53.3	Low	55	Low	138 Å²	138	113.5 Å²	113.5	61%	0.605	60%	0.601	S	S	*	*	H	α-helix	trans	-66.4	-43.4	177.9	-113.8	-90.2	0	0	0	111.9	L247 C248 L254 L255	L247-F251 PolarHBondContact O-N 3.22Å; C248-F251 PolarHBondContact O-N 3.37Å; F251-L254 PolarHBondContact O-N 2.96Å; F251-L255 HydrophobicContact CD1-CD1 4.34Å; F251-L255 PolarHBondContact O-N 3.49Å
252	Y	55.9	Low	56.4	Low	158 Å²	158	112.2 Å²	112.2	62%	0.62	59%	0.59	S	S	*	*	H	α-helix	trans	-66.8	-39.3	175.9	-89.2	-84.3	0	0	0	112.2	C248 L255 W256	C248-Y252 WeakPolarHBondContact O-CD2 3.42Å; C248-Y252 PolarHBondContact O-N 3.14Å; Y252-L255 PolarHBondContact O-N 3.48Å; Y252-W256 WeakPolarHBondContact O-CB 3.4Å; Y252-W256 PolarHBondContact O-N 2.8Å
253	L	63.3	Low	57.8	Low	108 Å²	108	109 Å²	109	57%	0.565	57%	0.573	S	S	*	*	H	α-helix	trans	-62.6	-43.6	174.7	-111.1	90.5	0	0	0	111.9	L249 C250 W256 V257	L249-L253 HydrophobicContact CD2-CD1 4.42Å; L249-L253 WeakPolarHBondContact O-CB 3.31Å; L249-L253 WeakPolarHBondContact O-CD1 3.44Å; L249-L253 PolarHBondContact O-N 3.13Å; C250-L253 PolarHBondContact O-N 3.33Å; L253-W256 PolarHBondContact O-N 2.87Å; L253-V257 WeakPolarHBondContact O-CB 3.48Å; L253-V257 WeakPolarHBondContact O-CG2 3.35Å; L253-V257 PolarHBondContact O-N 2.79Å
254	L	63	Low	59	Low	114 Å²	114	107.2 Å²	107.2	60%	0.597	55%	0.548	S	S	*	.	H	α-helix	trans	-65.2	-42.8	179.4	-81.7	159.6	0	0	0	111.6	C250 F251 V257 T258	C250-L254 WeakPolarHBondContact O-CB 3.43Å; C250-L254 WeakPolarHBondContact O-CG 3.48Å; C250-L254 PolarHBondContact O-N 2.84Å; F251-L254 PolarHBondContact O-N 2.96Å; L254-V257 PolarHBondContact O-N 3.4Å; L254-T258 WeakPolarHBondContact O-CB 3.39Å; L254-T258 PolarHBondContact O-N 3.14Å; L254-T258 PolarHBondContact O-OG1 3.13Å
255	L	63.6	Low	60.1	Low	96 Å²	96	110.3 Å²	110.3	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-62.8	-42.2	173.9	-98.3	137.5	0	0	0	112.1	F251 Y252 T258 L259	F251-L255 HydrophobicContact CD1-CD1 4.34Å; F251-L255 PolarHBondContact O-N 3.49Å; Y252-L255 PolarHBondContact O-N 3.48Å; L255-T258 PolarHBondContact O-N 3.07Å; L255-L259 HydrophobicContact CD2-CD1 4.5Å; L255-L259 VanDerWaalsContact O-CB 3.31Å; L255-L259 WeakPolarHBondContact O-CB 3.46Å; L255-L259 VanDerWaalsContact O-CG 3.24Å; L255-L259 WeakPolarHBondContact O-CG 3.37Å; L255-L259 PolarHBondContact O-N 2.9Å
256	W	66.9	Low	60.7	Low	187 Å²	187	109.7 Å²	109.7	71%	0.708	56%	0.555	S	S	*	*	H	α-helix	trans	-66	-44.4	176.9	-114.6	72	0	0	0	112.7	Y252 L253 T258 L259 Y260	Y252-W256 WeakPolarHBondContact O-CB 3.4Å; Y252-W256 PolarHBondContact O-N 2.8Å; L253-W256 PolarHBondContact O-N 2.87Å; W256-T258 VanDerWaalsContact C-N 3.31Å; W256-T258 PolarHBondContact O-N 2.96Å; W256-L259 PolarHBondContact O-N 3.34Å; W256-Y260 WeakPolarHBondContact O-CB 3.43Å; W256-Y260 PolarHBondContact O-N 3.28Å
257	V	72.3	Confident	61.3	Low	84 Å²	84	108.7 Å²	108.7	51%	0.509	55%	0.553	S	S	.	*	H	α-helix	trans	-62.9	-42	177.3	170.6	0	0	0	0	110.1	L253 L254 Y260 Y261	L253-V257 WeakPolarHBondContact O-CB 3.48Å; L253-V257 WeakPolarHBondContact O-CG2 3.35Å; L253-V257 PolarHBondContact O-N 2.79Å; L254-V257 PolarHBondContact O-N 3.4Å; V257-Y260 PolarHBondContact O-N 2.88Å; V257-Y261 WeakPolarHBondContact O-CB 3.48Å; V257-Y261 PolarHBondContact O-N 3.47Å
258	T	69.9	Low	61.6	Low	84 Å²	84	111.5 Å²	111.5	52%	0.515	56%	0.563	S	S	.	*	H	α-helix	trans	-67.6	-44.6	179.4	-46.1	0	0	0	0	111.2	L254 L255 W256 Y261 V262	L254-T258 WeakPolarHBondContact O-CB 3.39Å; L254-T258 PolarHBondContact O-N 3.14Å; L254-T258 PolarHBondContact O-OG1 3.13Å; L255-T258 PolarHBondContact O-N 3.07Å; W256-T258 VanDerWaalsContact C-N 3.31Å; W256-T258 PolarHBondContact O-N 2.96Å; T258-Y261 PolarHBondContact O-N 2.73Å; T258-V262 VanDerWaalsContact O-CG2 3.26Å; T258-V262 WeakPolarHBondContact O-CG2 3.44Å; T258-V262 PolarHBondContact O-N 3.25Å
259	L	72.9	Confident	62.1	Low	111 Å²	111	113 Å²	113	58%	0.581	57%	0.574	S	S	*	*	H	α-helix	trans	-65.9	-38	177	-73.6	168	0	0	0	112.3	L255 W256 A263	L255-L259 HydrophobicContact CD2-CD1 4.5Å; L255-L259 VanDerWaalsContact O-CB 3.31Å; L255-L259 WeakPolarHBondContact O-CB 3.46Å; L255-L259 VanDerWaalsContact O-CG 3.24Å; L255-L259 WeakPolarHBondContact O-CG 3.37Å; L255-L259 PolarHBondContact O-N 2.9Å; W256-L259 PolarHBondContact O-N 3.34Å; L259-A263 VanDerWaalsContact O-CB 3.29Å; L259-A263 WeakPolarHBondContact O-CB 3.48Å; L259-A263 PolarHBondContact O-N 3.47Å
260	Y	74.5	Confident	62	Low	146 Å²	146	119.9 Å²	119.9	57%	0.573	60%	0.599	S	S	*	*	H	α-helix	trans	-67.2	-38.8	175.3	-168.4	-107.9	0	0	0	111.7	W256 V257 A263 L264	W256-Y260 WeakPolarHBondContact O-CB 3.43Å; W256-Y260 PolarHBondContact O-N 3.28Å; V257-Y260 PolarHBondContact O-N 2.88Å; Y260-A263 PolarHBondContact O-N 3.21Å; Y260-L264 HydrophobicContact CD1-CD1 3.5Å; Y260-L264 HydrophobicContact CE1-CD1 3.23Å; Y260-L264 HydrophobicContact CE1-CG 4.33Å; Y260-L264 HydrophobicContact CG-CD1 4.32Å; Y260-L264 WeakPolarHBondContact O-CB 3.38Å; Y260-L264 PolarHBondContact O-N 2.79Å
261	Y	68.6	Low	62.7	Low	149 Å²	149	121.9 Å²	121.9	58%	0.584	60%	0.602	S	S	*	*	H	α-helix	trans	-66.9	-41.7	176.1	-135.2	-94.2	0	0	0	112.3	V257 T258 A263 L264 Q265	V257-Y261 WeakPolarHBondContact O-CB 3.48Å; V257-Y261 PolarHBondContact O-N 3.47Å; T258-Y261 PolarHBondContact O-N 2.73Å; Y261-A263 VanDerWaalsContact C-N 3.35Å; Y261-L264 PolarHBondContact O-N 3.3Å; Y261-Q265 PolarHBondContact O-N 2.77Å
262	V	70.1	Confident	63.2	Low	81 Å²	81	121.1 Å²	121.1	49%	0.491	60%	0.602	S	S	.	*	H	α-helix	trans	-66.3	-38.2	175.7	171.7	0	0	0	0	111.1	T258 S266	T258-V262 VanDerWaalsContact O-CG2 3.26Å; T258-V262 WeakPolarHBondContact O-CG2 3.44Å; T258-V262 PolarHBondContact O-N 3.25Å; V262-S266 PolarHBondContact O-N 3.25Å; V262-S266 PolarHBondContact O-OG 3.5Å
263	A	69.5	Low	63.6	Low	48 Å²	48	119 Å²	119	40%	0.397	60%	0.601	S	S	.	*	H	α-helix	trans	-65.6	-42	174	0	0	0	0	0	112	L259 Y260 Y261 S266 I267	L259-A263 VanDerWaalsContact O-CB 3.29Å; L259-A263 WeakPolarHBondContact O-CB 3.48Å; L259-A263 PolarHBondContact O-N 3.47Å; Y260-A263 PolarHBondContact O-N 3.21Å; Y261-A263 VanDerWaalsContact C-N 3.35Å; A263-S266 PolarHBondContact O-N 3.33Å; A263-I267 WeakPolarHBondContact O-CG1 3.3Å; A263-I267 PolarHBondContact O-N 2.69Å
264	L	65	Low	63.6	Low	73 Å²	73	119.6 Å²	119.6	38%	0.382	60%	0.603	S	S	.	*	H	α-helix	trans	-65.1	-39.3	176.6	-92.7	156.1	0	0	0	113.2	Y260 Y261 S266 I267	Y260-L264 HydrophobicContact CD1-CD1 3.5Å; Y260-L264 HydrophobicContact CE1-CD1 3.23Å; Y260-L264 HydrophobicContact CE1-CG 4.33Å; Y260-L264 HydrophobicContact CG-CD1 4.32Å; Y260-L264 WeakPolarHBondContact O-CB 3.38Å; Y260-L264 PolarHBondContact O-N 2.79Å; Y261-L264 PolarHBondContact O-N 3.3Å; L264-S266 VanDerWaalsContact C-N 3.26Å; L264-S266 PolarHBondContact O-N 2.78Å; L264-I267 PolarHBondContact O-N 3.35Å
265	Q	61.2	Low	63.6	Low	125 Å²	125	120 Å²	120	58%	0.584	60%	0.604	S	S	*	*	H	α-helix	trans	-67.4	-27.7	175.1	-82.5	-178.7	-31.5	0	0	112.9	Y261	Y261-Q265 PolarHBondContact O-N 2.77Å
266	S	57.1	Low	63.7	Low	77 Å²	77	121.6 Å²	121.6	54%	0.538	61%	0.611	S	S	.	*	H	α-helix	trans	-76.1	-23.6	177.6	-57.4	0	0	0	0	113	V262 A263 L264	V262-S266 PolarHBondContact O-N 3.25Å; V262-S266 PolarHBondContact O-OG 3.5Å; A263-S266 PolarHBondContact O-N 3.33Å; L264-S266 VanDerWaalsContact C-N 3.26Å; L264-S266 PolarHBondContact O-N 2.78Å
267	I	58.3	Low	63.4	Low	129 Å²	129	116.9 Å²	116.9	66%	0.662	60%	0.604	S	S	*	*	H	α-helix	trans	-82.6	-22.6	179	-64.9	163.8	0	0	0	111.9	A263 L264	A263-I267 WeakPolarHBondContact O-CG1 3.3Å; A263-I267 PolarHBondContact O-N 2.69Å; L264-I267 PolarHBondContact O-N 3.35Å
268	H	50.5	Low	62.7	Low	165 Å²	165	119.5 Å²	119.5	76%	0.764	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	4.5	178.4	-96.6	-67.1	0	0	0	115.1
269	S	51.2	Low	62.1	Low	103 Å²	103	122.4 Å²	122.4	72%	0.72	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	24.3	178.4	-61.9	0	0	0	0	113.8
270	F	46.9	Very low	61.2	Low	262 Å²	262	123.5 Å²	123.5	100%	1.149	62%	0.622	S	S	*	*			trans	-114.9	0	166.7	-99.1	-82.9	0	0	0	110.9

Retrieved 270 of 270 residues in 896.4 ms (Link to these results)

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