A0A077ZCL4_TRITR Loading...

1 acylglycerophosphocholine O acyltransferase

AlphaFold DB , UniProt , Accession A0A077ZCL4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 543 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	40.6	Very low	35.8	Very low	240 Å²	240	149.5 Å²	149.5	100%	1.182	80%	0.804	S	S	*	*				0	103.6	0	-74.1	175.5	174	0	0	107.6	V3	M1-V3 PolarHBondContact O-N 3.44Å
2	S	34	Very low	36.2	Very low	126 Å²	126	154.5 Å²	154.5	88%	0.881	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-70.3	117.3	176.7	45.8	0	0	0	0	109.1	N4	S2-N4 PolarHBondContact O-N 2.86Å
3	V	37.4	Very low	37.6	Very low	131 Å²	131	148.6 Å²	148.6	79%	0.794	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-79.1	116.1	178.3	179.5	0	0	0	0	108	M1 P5	M1-V3 PolarHBondContact O-N 3.44Å; V3-P5 WeakPolarHBondContact O-CD 3.3Å
4	N	35.2	Very low	39.4	Very low	115 Å²	115	150.3 Å²	150.3	62%	0.615	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-70.8	121.3	-179	-155.6	-10.1	0	0	0	109.9	S2 S6	S2-N4 PolarHBondContact O-N 2.86Å; N4-S6 PolarHBondContact O-N 3.16Å; N4-S6 VanDerWaalsContact O-N 3.07Å
5	P	38.6	Very low	41.6	Very low	127 Å²	127	148.6 Å²	148.6	83%	0.825	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-0.7	-173.4	-17.8	30.3	0	0	0	115.8	V3	V3-P5 WeakPolarHBondContact O-CD 3.3Å
6	S	35.5	Very low	44.1	Very low	87 Å²	87	143 Å²	143	61%	0.608	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	3.6	-172.8	56.7	0	0	0	0	115.2	N4 P8	N4-S6 PolarHBondContact O-N 3.16Å; N4-S6 VanDerWaalsContact O-N 3.07Å; S6-P8 WeakPolarHBondContact O-CD 3.45Å
7	T	31.7	Very low	46.6	Very low	109 Å²	109	135.2 Å²	135.2	67%	0.669	71%	0.714	S	S	*	*	S	Bend	trans	-90	105.4	168.3	38.7	0	0	0	0	108.8	F9	T7-F9 PolarHBondContact O-N 3.42Å
8	P	35.1	Very low	49.1	Very low	112 Å²	112	128.2 Å²	128.2	73%	0.727	68%	0.678	S	S	*	*			trans	-59.6	114.8	173.9	23.4	-29.7	0	0	0	106.5	S6 Q10	S6-P8 WeakPolarHBondContact O-CD 3.45Å; P8-Q10 VanDerWaalsContact C-N 3.29Å; P8-Q10 PolarHBondContact O-N 2.96Å
9	F	33.4	Very low	51.5	Low	196 Å²	196	121.5 Å²	121.5	86%	0.86	64%	0.643	S	S	*	*			trans	-47.9	98.7	174.3	-149	-92	0	0	0	106.5	T7 R11	T7-F9 PolarHBondContact O-N 3.42Å; F9-R11 PolarHBondContact O-N 3.16Å
10	Q	34.2	Very low	53.6	Low	184 Å²	184	115.4 Å²	115.4	86%	0.86	61%	0.61	S	S	*	*			trans	-64.5	92.4	172.3	-77.5	-165.4	-14.4	0	0	103.7	P8 K12	P8-Q10 VanDerWaalsContact C-N 3.29Å; P8-Q10 PolarHBondContact O-N 2.96Å; Q10-K12 PolarHBondContact O-N 3.45Å
11	R	38.3	Very low	55.3	Low	218 Å²	218	111.2 Å²	111.2	82%	0.823	59%	0.588	S	S	*	*			trans	-45	120.8	166.1	-70.5	-175.3	-165.8	-173.9	3.2	103.9	F9 A13	F9-R11 PolarHBondContact O-N 3.16Å; R11-A13 VanDerWaalsContact C-N 3.28Å; R11-A13 WeakPolarHBondContact O-CA 3.4Å; R11-A13 PolarHBondContact O-N 3.31Å
12	K	40.7	Very low	57.8	Low	209 Å²	209	100.6 Å²	100.6	91%	0.909	54%	0.536	S	S	*	.			trans	-46.1	106.1	168.7	-81.6	-177.8	176	177.6	0	105	Q10 Q14	Q10-K12 PolarHBondContact O-N 3.45Å; K12-Q14 PolarHBondContact O-N 2.87Å
13	A	54.5	Low	60.3	Low	78 Å²	78	96.7 Å²	96.7	65%	0.645	51%	0.508	S	S	*	.			trans	-62.4	112.4	-166.6	0	0	0	0	0	105.7	R11 W15	R11-A13 VanDerWaalsContact C-N 3.28Å; R11-A13 WeakPolarHBondContact O-CA 3.4Å; R11-A13 PolarHBondContact O-N 3.31Å; A13-W15 PolarHBondContact O-N 3.13Å
14	Q	62	Low	62.8	Low	172 Å²	172	91.7 Å²	91.7	80%	0.804	48%	0.478	S	S	*	.			trans	-53.9	129.4	175.3	-177.5	176.2	-0.4	0	0	106.6	K12 V16	K12-Q14 PolarHBondContact O-N 2.87Å; Q14-V16 WeakPolarHBondContact O-CG1 3.37Å; Q14-V16 PolarHBondContact O-N 3.24Å
15	W	73.1	Confident	65.3	Low	125 Å²	125	93.7 Å²	93.7	47%	0.473	48%	0.477	S	S	.	.			trans	-60.1	124.1	179.9	170.2	77.9	0	0	0	109.3	A13 G17 Q413 R415	A13-W15 PolarHBondContact O-N 3.13Å; W15-G17 VanDerWaalsContact CE2-CA 3.5Å; W15-G17 VanDerWaalsContact CZ2-CA 3.5Å; W15-Q413 HydrophobicContact CZ2-CB 4.13Å; W15-Q413 PolarHBondContact NE1-O 3.32Å; W15-R415 HydrophobicContact CG-CG 4.41Å
16	V	81.3	Confident	67.8	Low	59 Å²	59	88.8 Å²	88.8	36%	0.358	44%	0.443	S	S	.	.			trans	-103.8	-0.9	-174.3	-68.7	0	0	0	0	113.6	Q14 Q231 P320	Q14-V16 WeakPolarHBondContact O-CG1 3.37Å; Q14-V16 PolarHBondContact O-N 3.24Å; V16-Q231 HydrophobicContact CG2-CB 4.21Å; V16-P320 HydrophobicContact CG1-CG 3.94Å; V16-P320 HydrophobicContact CG2-CG 3.88Å
17	G	87	Confident	70.5	Confident	11 Å²	11	89.8 Å²	89.8	11%	0.113	44%	0.438	C	S	.	.			trans	91.5	-173.8	-177.3	0	0	0	0	0	114.7	W15 Q231	W15-G17 VanDerWaalsContact CE2-CA 3.5Å; W15-G17 VanDerWaalsContact CZ2-CA 3.5Å; G17-Q231 PolarHBondContact O-NE2 3.4Å
18	S	91.8	Very high	73.4	Confident	9 Å²	9	89.2 Å²	89.2	6%	0.063	44%	0.437	C	S	.	.			trans	-74	131.8	174.4	174.4	0	0	0	0	110.3	F20 N228 W412	S18-F20 PolarHBondContact O-N 2.97Å; S18-F20 PolarHBondContact OG-N 3.45Å; S18-N228 PolarHBondContact O-ND2 3.18Å; S18-W412 WeakPolarHBondContact CB-O 3.46Å
19	P	94.2	Very high	76.2	Confident	0 Å²	0	88.4 Å²	88.4	0%	0	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-11.2	173.9	25.4	-26.9	0	0	0	113.4	T227 N228 Q231 I233	P19-T227 HydrophobicContact CB-CG2 4.43Å; P19-T227 CarbonylContact O-C 3.56Å; P19-T227 VanDerWaalsContact O-CA 3.28Å; P19-T227 WeakPolarHBondContact O-CA 3.42Å; P19-N228 WeakPolarHBondContact CA-OD1 2.87Å; P19-N228 PolarHBondContact O-N 2.94Å; P19-Q231 HydrophobicContact CB-CG 3.7Å; P19-Q231 HydrophobicContact CG-CG 4.11Å; P19-I233 HydrophobicContact CB-CG2 3.88Å; P19-I233 HydrophobicContact CG-CG2 3.7Å
20	F	93.2	Very high	79.1	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	9.7	-172.1	-52.3	-67	0	0	0	113.4	S18 T225 T227 I233 T263 W264 E265 A329 L332 S333	S18-F20 PolarHBondContact O-N 2.97Å; S18-F20 PolarHBondContact OG-N 3.45Å; F20-T225 HydrophobicContact CE1-CG2 4.01Å; F20-T227 HydrophobicContact CE1-CG2 4.46Å; F20-I233 HydrophobicContact CE1-CD1 4.01Å; F20-I233 HydrophobicContact CZ-CD1 4.15Å; F20-I233 HydrophobicContact CZ-CG2 4.19Å; F20-T263 VanDerWaalsContact O-CB 3.28Å; F20-T263 WeakPolarHBondContact O-CB 3.18Å; F20-W264 HydrophobicContact CB-CB 4.34Å; F20-W264 AromaticContact CD1-CD1 3.81Å; F20-W264 PolarHBondContact O-N 3.37Å; F20-E265 PolarHBondContact O-N 3.28Å; F20-A329 HydrophobicContact CD1-CB 3.66Å; F20-A329 HydrophobicContact CD2-CB 4.23Å; F20-A329 HydrophobicContact CE1-CB 3.63Å; F20-A329 HydrophobicContact CE2-CB 4.21Å; F20-A329 HydrophobicContact CG-CB 3.96Å; F20-A329 HydrophobicContact CZ-CB 3.91Å; F20-L332 HydrophobicContact CD2-CB 4.2Å; F20-L332 HydrophobicContact CD2-CD1 3.64Å; F20-L332 HydrophobicContact CE2-CD1 3.41Å; F20-L332 VanDerWaalsContact CE2-CD1 3.41Å; F20-S333 WeakPolarHBondContact CB-OG 3.34Å
21	E	90.3	Very high	82	Confident	28 Å²	28	76 Å²	76	13%	0.131	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.1	177.3	-171.4	-171.9	167.3	0	0	110.6	N228 E265 R475	E21-N228 PolarHBondContact O-ND2 3.04Å; E21-E265 WeakPolarHBondContact CA-O 3.24Å; E21-E265 HydrophobicContact CG-CB 4.42Å; E21-E265 HydrophobicContact CG-CG 4.34Å; E21-R475 IonicContact OE1-CZ 2.78Å; E21-R475 IonicContact OE1-NH1 2.79Å; E21-R475 PolarHBondContact OE1-NH1 3.29Å; E21-R475 IonicContact OE1-NH2 3.44Å
22	N	91.8	Very high	84.8	Confident	17 Å²	17	70 Å²	70	9%	0.091	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	109.6	169.8	-177	34.5	0	0	0	110.4	N228 D258 S261 T263 E265 G266 N267	N22-N228 HydrophobicContact CB-CB 4.31Å; N22-D258 PolarHBondContact ND2-O 2.78Å; N22-S261 PolarHBondContact ND2-O 2.97Å; N22-T263 HydrophobicContact CB-CG2 4.1Å; N22-T263 WeakPolarHBondContact CB-OG1 3.49Å; N22-T263 PolarHBondContact N-OG1 3.48Å; N22-E265 PolarHBondContact N-O 3.32Å; N22-G266 WeakPolarHBondContact O-CA 3.49Å; N22-N267 PolarHBondContact O-N 3.22Å; N22-N267 VanDerWaalsContact O-N 3.08Å
23	S	87.2	Confident	87.3	Confident	43 Å²	43	65.5 Å²	65.5	30%	0.301	34%	0.342	S	S	.	.			trans	-118.5	113.6	171.7	61.3	0	0	0	0	110.2	R25 N267	S23-R25 PolarHBondContact O-N 3.24Å; S23-R25 VanDerWaalsContact O-N 3.16Å; S23-N267 WeakPolarHBondContact CA-OD1 3.49Å
24	V	90.6	Very high	89.3	Confident	27 Å²	27	62.3 Å²	62.3	16%	0.164	32%	0.315	C	S	.	.			trans	-75.1	108	-178.6	-174.7	0	0	0	0	109.1	M26 D258 V259 N267 L272 L275	V24-M26 HydrophobicContact CG1-CE 3.58Å; V24-M26 HydrophobicContact CG1-CG 4.06Å; V24-D258 WeakPolarHBondContact CG2-O 3.32Å; V24-V259 HydrophobicContact CG1-CG1 4.12Å; V24-V259 HydrophobicContact CG2-CG1 4.48Å; V24-N267 PolarHBondContact N-OD1 3.43Å; V24-L272 HydrophobicContact CG2-CD2 4.32Å; V24-L275 HydrophobicContact CB-CD1 3.96Å; V24-L275 HydrophobicContact CG1-CD1 4.15Å; V24-L275 HydrophobicContact CG2-CD1 4.12Å
25	R	86.3	Confident	91	Very high	157 Å²	157	56.5 Å²	56.5	59%	0.592	30%	0.296	S	S	*	.			trans	-108.5	118.7	172.8	-64.2	-175.7	-179.3	-167.2	-4.3	109.2	S23 Y257	S23-R25 PolarHBondContact O-N 3.24Å; S23-R25 VanDerWaalsContact O-N 3.16Å; R25-Y257 WeakPolarHBondContact O-CE1 3.43Å
26	M	90.7	Very high	92.1	Very high	24 Å²	24	54.1 Å²	54.1	12%	0.118	30%	0.295	C	S	.	.			trans	-105.8	152.4	179.6	-60.9	-172.2	-177.9	0	0	111.1	V24 D30 Q31 V34 Y257 V259 L275	V24-M26 HydrophobicContact CG1-CE 3.58Å; V24-M26 HydrophobicContact CG1-CG 4.06Å; M26-D30 HydrophobicContact CB-CB 4.31Å; M26-Q31 HydrophobicContact CB-CG 3.99Å; M26-Q31 PolarHBondContact O-NE2 3.32Å; M26-V34 HydrophobicContact CE-CG2 4.2Å; M26-V34 HydrophobicContact SD-CG2 3.55Å; M26-V34 VanDerWaalsContact SD-CG2 3.55Å; M26-Y257 HydrophobicContact CB-CE1 4.17Å; M26-Y257 HydrophobicContact CB-CE2 4.19Å; M26-Y257 HydrophobicContact CE-CD2 3.97Å; M26-Y257 HydrophobicContact CE-CG 4.13Å; M26-Y257 HydrophobicContact CG-CD1 3.99Å; M26-Y257 HydrophobicContact CG-CD2 3.9Å; M26-Y257 HydrophobicContact CG-CE1 3.96Å; M26-Y257 HydrophobicContact CG-CE2 3.84Å; M26-Y257 HydrophobicContact CG-CG 3.96Å; M26-Y257 HydrophobicContact SD-CD2 4.04Å; M26-Y257 HydrophobicContact SD-CE2 4.16Å; M26-V259 HydrophobicContact CE-CG1 3.84Å; M26-L275 HydrophobicContact CE-CD2 3.88Å
27	E	92.5	Very high	92.9	Very high	107 Å²	107	52.7 Å²	52.7	50%	0.5	29%	0.285	S	S	.	.			trans	-65	150.5	172.4	-66.2	170.2	161.4	0	0	109.7	V29 D30 Q31 K256 Y257	E27-V29 PolarHBondContact O-N 3.45Å; E27-V29 VanDerWaalsContact O-N 3.12Å; E27-D30 PolarHBondContact O-N 2.97Å; E27-Q31 WeakPolarHBondContact O-CG 3.05Å; E27-Q31 PolarHBondContact O-N 3.34Å; E27-K256 IonicContact OE2-NZ 2.72Å; E27-K256 PolarHBondContact OE2-NZ 3.28Å; E27-Y257 PolarHBondContact N-OH 3.33Å; E27-Y257 VanDerWaalsContact N-OH 3.15Å
28	P	93.5	Very high	93.3	Very high	98 Å²	98	53.1 Å²	53.1	64%	0.636	29%	0.287	S	S	*	.	H	α-helix	trans	-52.7	-38.6	-178.2	-28.7	35.5	0	0	0	113.9	D30 Q31 V32	P28-D30 VanDerWaalsContact C-N 3.34Å; P28-D30 PolarHBondContact O-N 3.44Å; P28-Q31 WeakPolarHBondContact O-CB 3.44Å; P28-Q31 PolarHBondContact O-N 3.02Å; P28-V32 WeakPolarHBondContact O-CG2 3.47Å; P28-V32 PolarHBondContact O-N 2.85Å; P28-V32 VanDerWaalsContact O-N 3.11Å
29	V	94	Very high	93.6	Very high	95 Å²	95	59 Å²	59	58%	0.576	32%	0.316	S	S	*	.	H	α-helix	trans	-63.5	-40.1	177.3	177.9	0	0	0	0	111.7	E27 V32 K33	E27-V29 PolarHBondContact O-N 3.45Å; E27-V29 VanDerWaalsContact O-N 3.12Å; V29-V32 PolarHBondContact O-N 3.31Å; V29-K33 PolarHBondContact O-N 2.85Å; V29-K33 VanDerWaalsContact O-N 3.15Å
30	D	94.6	Very high	93.7	Very high	15 Å²	15	64.2 Å²	64.2	8%	0.08	34%	0.343	C	S	.	.	H	α-helix	trans	-78.4	-25.8	178.9	-71.7	-27	0	0	0	112.3	M26 E27 P28 V32 K33 V34 K256 Y257	M26-D30 HydrophobicContact CB-CB 4.31Å; E27-D30 PolarHBondContact O-N 2.97Å; P28-D30 VanDerWaalsContact C-N 3.34Å; P28-D30 PolarHBondContact O-N 3.44Å; D30-V32 VanDerWaalsContact C-N 3.34Å; D30-K33 WeakPolarHBondContact O-CB 3.38Å; D30-K33 PolarHBondContact O-N 3.06Å; D30-K33 WeakPolarHBondContact OD1-CD 3.46Å; D30-K33 WeakPolarHBondContact OD1-CE 3.47Å; D30-K33 IonicContact OD1-NZ 3.95Å; D30-K33 PolarHBondContact OD1-NZ 3.36Å; D30-V34 WeakPolarHBondContact O-CG2 3.48Å; D30-V34 PolarHBondContact O-N 2.91Å; D30-K256 WeakPolarHBondContact OD2-CE 3.37Å; D30-K256 IonicContact OD2-NZ 2.96Å; D30-K256 PolarHBondContact OD2-NZ 3.03Å; D30-Y257 HydrophobicContact CB-CE2 3.87Å; D30-Y257 VanDerWaalsContact OD2-CE2 3.32Å; D30-Y257 WeakPolarHBondContact OD2-CE2 3.39Å; D30-Y257 PolarHBondContact OD2-OH 3.1Å
31	Q	95	Very high	93.8	Very high	104 Å²	104	67.1 Å²	67.1	49%	0.486	36%	0.358	S	S	.	.	H	α-helix	trans	-62	-42.4	167.8	-65.2	175	5.2	0	0	111.4	M26 E27 P28 K33 V34 A35	M26-Q31 HydrophobicContact CB-CG 3.99Å; M26-Q31 PolarHBondContact O-NE2 3.32Å; E27-Q31 WeakPolarHBondContact O-CG 3.05Å; E27-Q31 PolarHBondContact O-N 3.34Å; P28-Q31 WeakPolarHBondContact O-CB 3.44Å; P28-Q31 PolarHBondContact O-N 3.02Å; Q31-K33 VanDerWaalsContact C-N 3.34Å; Q31-K33 PolarHBondContact O-N 3.45Å; Q31-V34 PolarHBondContact O-N 3.37Å; Q31-A35 PolarHBondContact O-N 3.39Å
32	V	95.7	Very high	94.1	Very high	92 Å²	92	66 Å²	66	56%	0.558	35%	0.354	S	S	*	.	H	α-helix	trans	-61.8	-42.5	173.3	175.9	0	0	0	0	110.7	P28 V29 D30 V34 A35 V36	P28-V32 WeakPolarHBondContact O-CG2 3.47Å; P28-V32 PolarHBondContact O-N 2.85Å; P28-V32 VanDerWaalsContact O-N 3.11Å; V29-V32 PolarHBondContact O-N 3.31Å; D30-V32 VanDerWaalsContact C-N 3.34Å; V32-V34 PolarHBondContact O-N 2.99Å; V32-A35 WeakPolarHBondContact O-CB 3.27Å; V32-A35 PolarHBondContact O-N 3.05Å; V32-V36 WeakPolarHBondContact O-CG2 3.49Å; V32-V36 PolarHBondContact O-N 2.85Å
33	K	95	Very high	94.4	Very high	114 Å²	114	68.1 Å²	68.1	50%	0.496	37%	0.369	S	S	.	.	H	α-helix	trans	-60.2	-44.4	174.3	-67.4	177.5	-164.6	156.5	0	111.7	V29 D30 Q31 A35 V36 M37	V29-K33 PolarHBondContact O-N 2.85Å; V29-K33 VanDerWaalsContact O-N 3.15Å; D30-K33 WeakPolarHBondContact O-CB 3.38Å; D30-K33 PolarHBondContact O-N 3.06Å; D30-K33 WeakPolarHBondContact OD1-CD 3.46Å; D30-K33 WeakPolarHBondContact OD1-CE 3.47Å; D30-K33 IonicContact OD1-NZ 3.95Å; D30-K33 PolarHBondContact OD1-NZ 3.36Å; Q31-K33 VanDerWaalsContact C-N 3.34Å; Q31-K33 PolarHBondContact O-N 3.45Å; K33-A35 VanDerWaalsContact C-N 3.32Å; K33-A35 PolarHBondContact O-N 3.24Å; K33-V36 PolarHBondContact O-N 3.45Å; K33-M37 WeakPolarHBondContact O-CB 3.27Å; K33-M37 WeakPolarHBondContact O-CG 3.42Å; K33-M37 PolarHBondContact O-N 3.39Å
34	V	96.3	Very high	94.8	Very high	11 Å²	11	70.9 Å²	70.9	7%	0.067	38%	0.379	C	S	.	.	H	α-helix	trans	-60.4	-42.6	175.9	168.5	0	0	0	0	110.8	M26 D30 Q31 V32 V36 M37 S38 W274 L275 C278	M26-V34 HydrophobicContact CE-CG2 4.2Å; M26-V34 HydrophobicContact SD-CG2 3.55Å; M26-V34 VanDerWaalsContact SD-CG2 3.55Å; D30-V34 WeakPolarHBondContact O-CG2 3.48Å; D30-V34 PolarHBondContact O-N 2.91Å; Q31-V34 PolarHBondContact O-N 3.37Å; V32-V34 PolarHBondContact O-N 2.99Å; V34-V36 PolarHBondContact O-N 3.28Å; V34-M37 PolarHBondContact O-N 2.97Å; V34-S38 VanDerWaalsContact O-CB 3.28Å; V34-S38 WeakPolarHBondContact O-CB 3.46Å; V34-S38 PolarHBondContact O-N 3.29Å; V34-S38 PolarHBondContact O-OG 3.48Å; V34-W274 HydrophobicContact CG1-CH2 4.11Å; V34-W274 HydrophobicContact CG1-CZ2 3.72Å; V34-L275 HydrophobicContact CG1-CD2 4.19Å; V34-C278 HydrophobicContact CB-CB 4.41Å; V34-C278 HydrophobicContact CG1-CB 4.03Å; V34-C278 HydrophobicContact CG2-CB 4.2Å
35	A	96	Very high	95.2	Very high	51 Å²	51	71.5 Å²	71.5	42%	0.421	38%	0.378	S	S	.	.	H	α-helix	trans	-60.3	-46	176.5	0	0	0	0	0	112	Q31 V32 K33 S38 I39	Q31-A35 PolarHBondContact O-N 3.39Å; V32-A35 WeakPolarHBondContact O-CB 3.27Å; V32-A35 PolarHBondContact O-N 3.05Å; K33-A35 VanDerWaalsContact C-N 3.32Å; K33-A35 PolarHBondContact O-N 3.24Å; A35-S38 WeakPolarHBondContact O-CB 3.3Å; A35-S38 PolarHBondContact O-N 2.83Å; A35-I39 PolarHBondContact O-N 3.35Å
36	V	97.2	Very high	95.7	Very high	74 Å²	74	67.4 Å²	67.4	45%	0.448	37%	0.371	S	S	.	.	H	α-helix	trans	-63.1	-47.2	176.4	173.3	0	0	0	0	111.4	V32 K33 V34 S38 I39 L40	V32-V36 WeakPolarHBondContact O-CG2 3.49Å; V32-V36 PolarHBondContact O-N 2.85Å; K33-V36 PolarHBondContact O-N 3.45Å; V34-V36 PolarHBondContact O-N 3.28Å; V36-S38 VanDerWaalsContact C-N 3.27Å; V36-S38 PolarHBondContact O-N 2.91Å; V36-I39 PolarHBondContact O-N 3.45Å; V36-L40 HydrophobicContact CG1-CD1 3.72Å; V36-L40 HydrophobicContact CG1-CG 4.42Å; V36-L40 PolarHBondContact O-N 3.5Å
37	M	97	Very high	96	Very high	29 Å²	29	71.2 Å²	71.2	14%	0.143	39%	0.39	C	S	.	.	H	α-helix	trans	-65.7	-31.6	179.9	-64.5	-73.8	-88.1	0	0	112.1	K33 V34 I39 I41 A42 C278 P280	K33-M37 WeakPolarHBondContact O-CB 3.27Å; K33-M37 WeakPolarHBondContact O-CG 3.42Å; K33-M37 PolarHBondContact O-N 3.39Å; V34-M37 PolarHBondContact O-N 2.97Å; M37-I39 VanDerWaalsContact C-N 3.25Å; M37-I39 PolarHBondContact O-N 3.38Å; M37-I41 HydrophobicContact CE-CB 4.49Å; M37-I41 HydrophobicContact CE-CD1 3.75Å; M37-I41 HydrophobicContact CE-CG1 4.49Å; M37-I41 PolarHBondContact O-N 3.45Å; M37-I41 HydrophobicContact SD-CB 4.32Å; M37-I41 HydrophobicContact SD-CD1 3.49Å; M37-I41 WeakPolarHBondContact SD-CD1 3.38Å; M37-I41 HydrophobicContact SD-CG1 3.96Å; M37-A42 PolarHBondContact O-N 2.92Å; M37-C278 HydrophobicContact CB-CB 3.99Å; M37-C278 WeakPolarHBondContact CE-O 3.33Å; M37-P280 HydrophobicContact CE-CB 4.04Å
38	S	97.5	Very high	96.3	Very high	21 Å²	21	70.1 Å²	70.1	15%	0.147	39%	0.388	C	S	.	.	H	α-helix	trans	-62.8	-32.6	175.6	-62.7	0	0	0	0	112.5	V34 A35 V36 P43 W274 C278	V34-S38 VanDerWaalsContact O-CB 3.28Å; V34-S38 WeakPolarHBondContact O-CB 3.46Å; V34-S38 PolarHBondContact O-N 3.29Å; V34-S38 PolarHBondContact O-OG 3.48Å; A35-S38 WeakPolarHBondContact O-CB 3.3Å; A35-S38 PolarHBondContact O-N 2.83Å; V36-S38 VanDerWaalsContact C-N 3.27Å; V36-S38 PolarHBondContact O-N 2.91Å; S38-P43 WeakPolarHBondContact O-CD 3.37Å; S38-W274 WeakPolarHBondContact OG-CZ2 3.28Å; S38-W274 PolarHBondContact OG-NE1 3.3Å; S38-C278 PolarHBondContact OG-SG 3.4Å
39	I	96.9	Very high	96.4	Very high	131 Å²	131	65.9 Å²	65.9	67%	0.672	36%	0.361	S	S	*	.	H	α-helix	trans	-85.3	-46.3	179.2	-62.6	169.2	0	0	0	110.3	A35 V36 M37	A35-I39 PolarHBondContact O-N 3.35Å; V36-I39 PolarHBondContact O-N 3.45Å; M37-I39 VanDerWaalsContact C-N 3.25Å; M37-I39 PolarHBondContact O-N 3.38Å
40	L	95.8	Very high	96.5	Very high	110 Å²	110	68.4 Å²	68.4	58%	0.576	36%	0.364	S	S	*	.	H	α-helix	trans	-89.1	-45.4	-168	-61.4	179.7	0	0	0	113.9	V36 I44	V36-L40 HydrophobicContact CG1-CD1 3.72Å; V36-L40 HydrophobicContact CG1-CG 4.42Å; V36-L40 PolarHBondContact O-N 3.5Å; L40-I44 WeakPolarHBondContact O-CD1 3.47Å
41	I	95.4	Very high	96.6	Very high	61 Å²	61	72 Å²	72	31%	0.313	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-41.6	-165.5	-59.8	-163	0	0	0	112.1	M37 I44 R45	M37-I41 HydrophobicContact CE-CB 4.49Å; M37-I41 HydrophobicContact CE-CD1 3.75Å; M37-I41 HydrophobicContact CE-CG1 4.49Å; M37-I41 PolarHBondContact O-N 3.45Å; M37-I41 HydrophobicContact SD-CB 4.32Å; M37-I41 HydrophobicContact SD-CD1 3.49Å; M37-I41 WeakPolarHBondContact SD-CD1 3.38Å; M37-I41 HydrophobicContact SD-CG1 3.96Å; I41-I44 PolarHBondContact O-N 3.41Å; I41-R45 HydrophobicContact CG2-CG 3.85Å; I41-R45 WeakPolarHBondContact O-CG 3.29Å; I41-R45 PolarHBondContact O-N 2.99Å
42	A	97.1	Very high	96.7	Very high	6 Å²	6	68 Å²	68	5%	0.05	37%	0.365	C	S	.	.	H	α-helix	trans	-56.9	-43.8	-176.1	0	0	0	0	0	112.9	M37 I44 R45 V46 L277	M37-A42 PolarHBondContact O-N 2.92Å; A42-I44 PolarHBondContact O-N 3.25Å; A42-R45 PolarHBondContact O-N 2.99Å; A42-V46 WeakPolarHBondContact O-CB 3.31Å; A42-V46 VanDerWaalsContact O-CG2 3.23Å; A42-V46 WeakPolarHBondContact O-CG2 3.48Å; A42-V46 PolarHBondContact O-N 2.76Å; A42-L277 HydrophobicContact CB-CB 4.09Å
43	P	97.4	Very high	96.7	Very high	61 Å²	61	66 Å²	66	40%	0.396	35%	0.351	S	S	.	.	H	α-helix	trans	-62.9	-42.3	179.2	-22.8	35.7	0	0	0	112.5	S38 V46 I47	S38-P43 WeakPolarHBondContact O-CD 3.37Å; P43-V46 PolarHBondContact O-N 3.33Å; P43-I47 VanDerWaalsContact O-CG1 3.31Å; P43-I47 WeakPolarHBondContact O-CG1 3.13Å; P43-I47 PolarHBondContact O-N 2.87Å
44	I	97.3	Very high	96.6	Very high	101 Å²	101	62.7 Å²	62.7	52%	0.518	35%	0.345	S	S	.	.	H	α-helix	trans	-62.4	-47.7	177.6	-59.5	175.3	0	0	0	110	L40 I41 A42 V46 I47 L48	L40-I44 WeakPolarHBondContact O-CD1 3.47Å; I41-I44 PolarHBondContact O-N 3.41Å; A42-I44 PolarHBondContact O-N 3.25Å; I44-V46 VanDerWaalsContact C-N 3.34Å; I44-V46 PolarHBondContact O-N 2.89Å; I44-I47 PolarHBondContact O-N 3.36Å; I44-L48 HydrophobicContact CG2-CD1 3.9Å; I44-L48 HydrophobicContact CG2-CG 4.39Å; I44-L48 WeakPolarHBondContact O-CB 3.34Å; I44-L48 WeakPolarHBondContact O-CG 3.33Å; I44-L48 PolarHBondContact O-N 3.37Å
45	R	97.4	Very high	96.6	Very high	39 Å²	39	65.4 Å²	65.4	15%	0.147	36%	0.362	C	S	.	.	H	α-helix	trans	-62.9	-39.3	178.1	-71.9	-174.9	169	172.7	-7	112.5	I41 A42 A49 V116 V117 L277 Q279 P280	I41-R45 HydrophobicContact CG2-CG 3.85Å; I41-R45 WeakPolarHBondContact O-CG 3.29Å; I41-R45 PolarHBondContact O-N 2.99Å; A42-R45 PolarHBondContact O-N 2.99Å; R45-A49 WeakPolarHBondContact O-CB 3.18Å; R45-A49 PolarHBondContact O-N 2.98Å; R45-V116 HydrophobicContact CB-CG1 4.44Å; R45-V116 WeakPolarHBondContact CD-O 3.36Å; R45-V116 VanDerWaalsContact CG-O 3.25Å; R45-V116 WeakPolarHBondContact CG-O 3.22Å; R45-V116 PolarHBondContact NE-O 3.41Å; R45-V116 WeakPolarHBondContact O-CG1 3.45Å; R45-V117 WeakPolarHBondContact CD-O 3.36Å; R45-V117 PolarHBondContact NH1-O 3.2Å; R45-L277 HydrophobicContact CB-CD2 3.52Å; R45-L277 PolarHBondContact NH1-O 3.42Å; R45-Q279 PolarHBondContact NH1-O 2.99Å; R45-P280 PolarHBondContact NH2-O 3.48Å
46	V	97.1	Very high	96.4	Very high	72 Å²	72	63 Å²	63	44%	0.436	34%	0.341	S	S	.	.	H	α-helix	trans	-60.6	-49.8	175.3	168.3	0	0	0	0	110.7	A42 P43 I44 A49 F50 L277	A42-V46 WeakPolarHBondContact O-CB 3.31Å; A42-V46 VanDerWaalsContact O-CG2 3.23Å; A42-V46 WeakPolarHBondContact O-CG2 3.48Å; A42-V46 PolarHBondContact O-N 2.76Å; P43-V46 PolarHBondContact O-N 3.33Å; I44-V46 VanDerWaalsContact C-N 3.34Å; I44-V46 PolarHBondContact O-N 2.89Å; V46-A49 PolarHBondContact O-N 3.4Å; V46-F50 WeakPolarHBondContact O-CB 3.43Å; V46-F50 PolarHBondContact O-N 2.98Å; V46-L277 HydrophobicContact CG2-CD1 3.35Å; V46-L277 HydrophobicContact CG2-CD2 4.11Å; V46-L277 HydrophobicContact CG2-CG 4.36Å
47	I	97.7	Very high	96.1	Very high	103 Å²	103	62.9 Å²	62.9	53%	0.528	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-49.4	-179.4	-67.7	165	0	0	0	110.3	P43 I44 F50 I51	P43-I47 VanDerWaalsContact O-CG1 3.31Å; P43-I47 WeakPolarHBondContact O-CG1 3.13Å; P43-I47 PolarHBondContact O-N 2.87Å; I44-I47 PolarHBondContact O-N 3.36Å; I47-F50 PolarHBondContact O-N 3.49Å; I47-I51 HydrophobicContact CG2-CD1 3.9Å; I47-I51 VanDerWaalsContact O-CG1 3.3Å; I47-I51 WeakPolarHBondContact O-CG1 3.37Å; I47-I51 PolarHBondContact O-N 3.45Å
48	L	97.8	Very high	95.7	Very high	85 Å²	85	67.4 Å²	67.4	45%	0.445	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-45.7	-179.9	-69	177	0	0	0	112	I44 F50 I51 V52 V116	I44-L48 HydrophobicContact CG2-CD1 3.9Å; I44-L48 HydrophobicContact CG2-CG 4.39Å; I44-L48 WeakPolarHBondContact O-CB 3.34Å; I44-L48 WeakPolarHBondContact O-CG 3.33Å; I44-L48 PolarHBondContact O-N 3.37Å; L48-F50 VanDerWaalsContact C-N 3.3Å; L48-F50 PolarHBondContact O-N 3.31Å; L48-I51 PolarHBondContact O-N 3.47Å; L48-V52 WeakPolarHBondContact O-CG2 3.27Å; L48-V52 PolarHBondContact O-N 2.92Å; L48-V116 HydrophobicContact CB-CG1 3.54Å; L48-V116 HydrophobicContact CD1-CG1 4.46Å
49	A	96.7	Very high	95.2	Very high	9 Å²	9	67.8 Å²	67.8	7%	0.074	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-39.7	177.8	0	0	0	0	0	111	R45 V46 V52 L53 V116 V117	R45-A49 WeakPolarHBondContact O-CB 3.18Å; R45-A49 PolarHBondContact O-N 2.98Å; V46-A49 PolarHBondContact O-N 3.4Å; A49-V52 PolarHBondContact O-N 3.41Å; A49-L53 WeakPolarHBondContact O-CB 3.39Å; A49-L53 VanDerWaalsContact O-CG 3.22Å; A49-L53 WeakPolarHBondContact O-CG 3.35Å; A49-L53 PolarHBondContact O-N 2.73Å; A49-V116 HydrophobicContact CB-CG1 4.08Å; A49-V117 HydrophobicContact CB-CG2 4.26Å
50	F	95.8	Very high	94.6	Very high	147 Å²	147	61.5 Å²	61.5	65%	0.645	32%	0.321	S	S	*	.	H	α-helix	trans	-61.5	-45.8	175.9	-179.7	-96.4	0	0	0	112	V46 I47 L48 V52 L53 A54	V46-F50 WeakPolarHBondContact O-CB 3.43Å; V46-F50 PolarHBondContact O-N 2.98Å; I47-F50 PolarHBondContact O-N 3.49Å; L48-F50 VanDerWaalsContact C-N 3.3Å; L48-F50 PolarHBondContact O-N 3.31Å; F50-V52 PolarHBondContact O-N 3.44Å; F50-L53 PolarHBondContact O-N 3.24Å; F50-A54 VanDerWaalsContact O-CB 3.29Å; F50-A54 WeakPolarHBondContact O-CB 3.25Å; F50-A54 PolarHBondContact O-N 2.97Å
51	I	97.6	Very high	94	Very high	91 Å²	91	59.3 Å²	59.3	47%	0.467	31%	0.309	S	S	.	.	H	α-helix	trans	-59	-48.8	176.6	-68.4	164.2	0	0	0	110.5	I47 L48 L53 A54 V55	I47-I51 HydrophobicContact CG2-CD1 3.9Å; I47-I51 VanDerWaalsContact O-CG1 3.3Å; I47-I51 WeakPolarHBondContact O-CG1 3.37Å; I47-I51 PolarHBondContact O-N 3.45Å; L48-I51 PolarHBondContact O-N 3.47Å; I51-L53 PolarHBondContact O-N 2.91Å; I51-A54 PolarHBondContact O-N 3.12Å; I51-V55 WeakPolarHBondContact O-CG2 3.47Å; I51-V55 PolarHBondContact O-N 2.97Å
52	V	96.5	Very high	93.2	Very high	21 Å²	21	60.9 Å²	60.9	13%	0.127	32%	0.317	C	S	.	.	H	α-helix	trans	-61.6	-44.6	180	175.5	0	0	0	0	111.4	L48 A49 F50 A54 V55 A56 L109 L112 A113	L48-V52 WeakPolarHBondContact O-CG2 3.27Å; L48-V52 PolarHBondContact O-N 2.92Å; A49-V52 PolarHBondContact O-N 3.41Å; F50-V52 PolarHBondContact O-N 3.44Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-V55 PolarHBondContact O-N 3.32Å; V52-A56 PolarHBondContact O-N 3.11Å; V52-L109 HydrophobicContact CG1-CB 4.1Å; V52-L109 HydrophobicContact CG1-CD2 4.09Å; V52-L109 WeakPolarHBondContact CG1-O 3.28Å; V52-L112 HydrophobicContact CG1-CB 4.23Å; V52-L112 HydrophobicContact CG1-CD2 4.16Å; V52-L112 HydrophobicContact CG1-CG 4.23Å; V52-L112 HydrophobicContact CG2-CD2 4.08Å; V52-L112 HydrophobicContact CG2-CG 4.33Å; V52-A113 HydrophobicContact CB-CB 4.31Å; V52-A113 HydrophobicContact CG1-CB 3.93Å
53	L	94.5	Very high	92	Very high	49 Å²	49	61.1 Å²	61.1	26%	0.257	32%	0.318	S	S	.	.	H	α-helix	trans	-68.2	-33	178.1	-69	175.3	0	0	0	112.4	A49 F50 I51 A56 Y57 A113 F170	A49-L53 WeakPolarHBondContact O-CB 3.39Å; A49-L53 VanDerWaalsContact O-CG 3.22Å; A49-L53 WeakPolarHBondContact O-CG 3.35Å; A49-L53 PolarHBondContact O-N 2.73Å; F50-L53 PolarHBondContact O-N 3.24Å; I51-L53 PolarHBondContact O-N 2.91Å; L53-A56 PolarHBondContact O-N 2.84Å; L53-Y57 VanDerWaalsContact O-CB 3.27Å; L53-Y57 WeakPolarHBondContact O-CB 3.43Å; L53-Y57 PolarHBondContact O-N 3.15Å; L53-A113 HydrophobicContact CD1-CB 4.49Å; L53-A113 HydrophobicContact CD2-CB 3.63Å; L53-A113 HydrophobicContact CG-CB 3.81Å; L53-F170 HydrophobicContact CB-CE2 4.11Å; L53-F170 HydrophobicContact CB-CZ 3.9Å; L53-F170 HydrophobicContact CD1-CZ 4.35Å; L53-F170 HydrophobicContact CD2-CZ 4.03Å; L53-F170 HydrophobicContact CG-CZ 4.29Å
54	A	94.4	Very high	90.7	Very high	44 Å²	44	58.8 Å²	58.8	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-64.9	-42.7	174.4	0	0	0	0	0	111.4	F50 I51 V52 Y57 F58	F50-A54 VanDerWaalsContact O-CB 3.29Å; F50-A54 WeakPolarHBondContact O-CB 3.25Å; F50-A54 PolarHBondContact O-N 2.97Å; I51-A54 PolarHBondContact O-N 3.12Å; V52-A54 VanDerWaalsContact C-N 3.35Å; A54-Y57 PolarHBondContact O-N 2.89Å; A54-F58 WeakPolarHBondContact O-CB 3.43Å; A54-F58 PolarHBondContact O-N 3.08Å
55	V	94.8	Very high	89.2	Confident	69 Å²	69	58 Å²	58	42%	0.418	31%	0.312	S	S	.	.	H	α-helix	trans	-63.1	-46.3	173.6	176.7	0	0	0	0	110.8	I51 V52 Y57 F58 L59 L109	I51-V55 WeakPolarHBondContact O-CG2 3.47Å; I51-V55 PolarHBondContact O-N 2.97Å; V52-V55 PolarHBondContact O-N 3.32Å; V55-Y57 VanDerWaalsContact C-N 3.29Å; V55-Y57 PolarHBondContact O-N 2.66Å; V55-F58 PolarHBondContact O-N 3.3Å; V55-L59 HydrophobicContact CG1-CD1 4.14Å; V55-L59 WeakPolarHBondContact O-CG 3.23Å; V55-L59 PolarHBondContact O-N 3.29Å; V55-L109 HydrophobicContact CB-CD1 4.49Å; V55-L109 HydrophobicContact CG1-CD1 3.9Å
56	A	91.9	Very high	87.4	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.3	-42.6	176.9	0	0	0	0	0	111.9	V52 L53 A60 V106 L109	V52-A56 PolarHBondContact O-N 3.11Å; L53-A56 PolarHBondContact O-N 2.84Å; A56-A60 WeakPolarHBondContact O-CB 3.46Å; A56-A60 PolarHBondContact O-N 2.71Å; A56-V106 HydrophobicContact CB-CG1 4.35Å; A56-L109 HydrophobicContact CB-CB 3.84Å; A56-L109 HydrophobicContact CB-CD1 4.05Å
57	Y	90.8	Very high	85.5	Confident	72 Å²	72	59.9 Å²	59.9	28%	0.282	33%	0.329	S	S	.	.	H	α-helix	trans	-67.1	-42.2	177.7	-178.8	-119.1	0	0	0	112.6	L53 A54 V55 A60 I61 F170 R173	L53-Y57 VanDerWaalsContact O-CB 3.27Å; L53-Y57 WeakPolarHBondContact O-CB 3.43Å; L53-Y57 PolarHBondContact O-N 3.15Å; A54-Y57 PolarHBondContact O-N 2.89Å; V55-Y57 VanDerWaalsContact C-N 3.29Å; V55-Y57 PolarHBondContact O-N 2.66Å; Y57-A60 WeakPolarHBondContact O-CB 3.06Å; Y57-A60 PolarHBondContact O-N 3.13Å; Y57-I61 HydrophobicContact CD1-CD1 3.84Å; Y57-I61 HydrophobicContact CE1-CD1 3.38Å; Y57-I61 HydrophobicContact CE1-CG1 4.3Å; Y57-I61 HydrophobicContact CE2-CD1 4.16Å; Y57-I61 HydrophobicContact CE2-CG1 4.21Å; Y57-I61 HydrophobicContact CG-CD1 4.41Å; Y57-I61 WeakPolarHBondContact O-CG1 2.96Å; Y57-I61 PolarHBondContact O-N 3.34Å; Y57-F170 HydrophobicContact CD2-CB 4.45Å; Y57-F170 AromaticContact CD2-CD2 3.69Å; Y57-F170 HydrophobicContact CD2-CD2 3.69Å; Y57-F170 HydrophobicContact CD2-CE2 4.38Å; Y57-F170 HydrophobicContact CD2-CG 4.36Å; Y57-F170 HydrophobicContact CE2-CB 4.39Å; Y57-F170 HydrophobicContact CE2-CD2 4.39Å; Y57-F170 AromaticContact CG-CD2 3.76Å; Y57-F170 HydrophobicContact CG-CD2 3.76Å; Y57-F170 HydrophobicContact CG-CE2 4.22Å; Y57-R173 HydrophobicContact CD2-CB 4.42Å; Y57-R173 HydrophobicContact CE2-CB 3.97Å; Y57-R173 HydrophobicContact CE2-CG 3.89Å
58	F	90.4	Very high	83.2	Confident	123 Å²	123	57.2 Å²	57.2	54%	0.539	32%	0.316	S	S	.	.	H	α-helix	trans	-59.8	-46.6	175.8	179.1	-107.8	0	0	0	111.5	A54 V55 A60 I61 L62	A54-F58 WeakPolarHBondContact O-CB 3.43Å; A54-F58 PolarHBondContact O-N 3.08Å; V55-F58 PolarHBondContact O-N 3.3Å; F58-A60 VanDerWaalsContact C-N 3.31Å; F58-A60 PolarHBondContact O-N 2.83Å; F58-I61 WeakPolarHBondContact O-CB 3.45Å; F58-I61 PolarHBondContact O-N 3.08Å; F58-I61 VanDerWaalsContact O-N 3.16Å; F58-L62 HydrophobicContact CD1-CD1 3.93Å; F58-L62 HydrophobicContact CD1-CG 4.46Å; F58-L62 HydrophobicContact CE1-CD1 3.43Å; F58-L62 VanDerWaalsContact CE1-CD1 3.43Å; F58-L62 HydrophobicContact CE1-CG 4.11Å; F58-L62 HydrophobicContact CE2-CD2 4.49Å; F58-L62 HydrophobicContact CE2-CG 4.45Å; F58-L62 HydrophobicContact CZ-CD1 3.82Å; F58-L62 HydrophobicContact CZ-CD2 4.17Å; F58-L62 HydrophobicContact CZ-CG 4.1Å; F58-L62 WeakPolarHBondContact O-CG 3.15Å; F58-L62 PolarHBondContact O-N 3.26Å
59	L	87	Confident	80.8	Confident	29 Å²	29	58.6 Å²	58.6	15%	0.152	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-39.2	174.6	-68.8	170.5	0	0	0	112.5	V55 I61 L62 T63 V102 M105 V106 L109	V55-L59 HydrophobicContact CG1-CD1 4.14Å; V55-L59 WeakPolarHBondContact O-CG 3.23Å; V55-L59 PolarHBondContact O-N 3.29Å; L59-I61 VanDerWaalsContact C-N 3.34Å; L59-L62 PolarHBondContact O-N 3.13Å; L59-T63 WeakPolarHBondContact O-CB 3.4Å; L59-T63 PolarHBondContact O-N 3.32Å; L59-T63 PolarHBondContact O-OG1 2.8Å; L59-V102 HydrophobicContact CB-CG1 4.27Å; L59-M105 HydrophobicContact CD1-CE 3.43Å; L59-M105 VanDerWaalsContact CD1-CE 3.43Å; L59-M105 HydrophobicContact CD1-CG 4.13Å; L59-M105 HydrophobicContact CD1-SD 4.24Å; L59-M105 HydrophobicContact CD2-CE 3.6Å; L59-M105 HydrophobicContact CG-CE 4.1Å; L59-V106 HydrophobicContact CB-CG2 3.78Å; L59-V106 HydrophobicContact CD1-CG2 4.4Å; L59-L109 HydrophobicContact CD1-CD1 3.56Å
60	A	83.8	Confident	78.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64.4	-38.1	175.4	0	0	0	0	0	112.2	A56 Y57 F58 S64 L174 L177	A56-A60 WeakPolarHBondContact O-CB 3.46Å; A56-A60 PolarHBondContact O-N 2.71Å; Y57-A60 WeakPolarHBondContact O-CB 3.06Å; Y57-A60 PolarHBondContact O-N 3.13Å; F58-A60 VanDerWaalsContact C-N 3.31Å; F58-A60 PolarHBondContact O-N 2.83Å; A60-S64 VanDerWaalsContact O-CB 3.23Å; A60-S64 WeakPolarHBondContact O-CB 3.32Å; A60-S64 PolarHBondContact O-N 2.68Å; A60-S64 PolarHBondContact O-OG 3.23Å; A60-L174 HydrophobicContact CB-CD2 3.95Å; A60-L177 HydrophobicContact CB-CD1 3.75Å; A60-L177 HydrophobicContact CB-CG 4.42Å
61	I	82	Confident	75.9	Confident	64 Å²	64	59.5 Å²	59.5	33%	0.328	34%	0.342	S	S	.	.	H	α-helix	trans	-64.1	-51.5	173.8	-71	167.6	0	0	0	110.5	Y57 F58 L59 T63 S64 A65	Y57-I61 HydrophobicContact CD1-CD1 3.84Å; Y57-I61 HydrophobicContact CE1-CD1 3.38Å; Y57-I61 HydrophobicContact CE1-CG1 4.3Å; Y57-I61 HydrophobicContact CE2-CD1 4.16Å; Y57-I61 HydrophobicContact CE2-CG1 4.21Å; Y57-I61 HydrophobicContact CG-CD1 4.41Å; Y57-I61 WeakPolarHBondContact O-CG1 2.96Å; Y57-I61 PolarHBondContact O-N 3.34Å; F58-I61 WeakPolarHBondContact O-CB 3.45Å; F58-I61 PolarHBondContact O-N 3.08Å; F58-I61 VanDerWaalsContact O-N 3.16Å; L59-I61 VanDerWaalsContact C-N 3.34Å; I61-T63 PolarHBondContact O-N 3.06Å; I61-S64 PolarHBondContact O-N 2.87Å; I61-S64 VanDerWaalsContact O-N 3.15Å; I61-A65 WeakPolarHBondContact O-CB 3.35Å; I61-A65 PolarHBondContact O-N 3.18Å
62	L	79.2	Confident	73.4	Confident	93 Å²	93	59.7 Å²	59.7	49%	0.487	34%	0.341	S	S	.	.	H	α-helix	trans	-55	-43.9	-180	-71.7	178.3	0	0	0	111.3	F58 L59 S66	F58-L62 HydrophobicContact CD1-CD1 3.93Å; F58-L62 HydrophobicContact CD1-CG 4.46Å; F58-L62 HydrophobicContact CE1-CD1 3.43Å; F58-L62 VanDerWaalsContact CE1-CD1 3.43Å; F58-L62 HydrophobicContact CE1-CG 4.11Å; F58-L62 HydrophobicContact CE2-CD2 4.49Å; F58-L62 HydrophobicContact CE2-CG 4.45Å; F58-L62 HydrophobicContact CZ-CD1 3.82Å; F58-L62 HydrophobicContact CZ-CD2 4.17Å; F58-L62 HydrophobicContact CZ-CG 4.1Å; F58-L62 WeakPolarHBondContact O-CG 3.15Å; F58-L62 PolarHBondContact O-N 3.26Å; L59-L62 PolarHBondContact O-N 3.13Å; L62-S66 PolarHBondContact O-N 3.03Å
63	T	72.7	Confident	70.8	Confident	12 Å²	12	60.1 Å²	60.1	7%	0.074	35%	0.347	C	S	.	.	H	α-helix	trans	-67.3	-48.5	177.8	-48.6	0	0	0	0	111	L59 I61 A65 S66 M67 F99 V102 L177	L59-T63 WeakPolarHBondContact O-CB 3.4Å; L59-T63 PolarHBondContact O-N 3.32Å; L59-T63 PolarHBondContact O-OG1 2.8Å; I61-T63 PolarHBondContact O-N 3.06Å; T63-A65 VanDerWaalsContact C-N 3.26Å; T63-A65 PolarHBondContact O-N 3.37Å; T63-S66 PolarHBondContact O-N 3.41Å; T63-S66 VanDerWaalsContact O-N 3.08Å; T63-S66 PolarHBondContact O-OG 2.94Å; T63-M67 HydrophobicContact CG2-SD 4.18Å; T63-M67 WeakPolarHBondContact O-CG 3.14Å; T63-M67 PolarHBondContact O-N 3.37Å; T63-F99 HydrophobicContact CG2-CD2 3.58Å; T63-F99 HydrophobicContact CG2-CE2 3.84Å; T63-V102 WeakPolarHBondContact OG1-CG1 3.44Å; T63-L177 HydrophobicContact CG2-CD2 3.86Å
64	S	69.3	Low	68.1	Low	12 Å²	12	60 Å²	60	8%	0.084	35%	0.349	C	S	.	.	H	α-helix	trans	-65.2	-28.7	-178.3	-58.1	0	0	0	0	113	A60 I61 S66 M67	A60-S64 VanDerWaalsContact O-CB 3.23Å; A60-S64 WeakPolarHBondContact O-CB 3.32Å; A60-S64 PolarHBondContact O-N 2.68Å; A60-S64 PolarHBondContact O-OG 3.23Å; I61-S64 PolarHBondContact O-N 2.87Å; I61-S64 VanDerWaalsContact O-N 3.15Å; S64-S66 VanDerWaalsContact C-N 3.31Å; S64-M67 PolarHBondContact O-N 2.82Å
65	A	66.1	Low	65.2	Low	85 Å²	85	61.6 Å²	61.6	70%	0.702	35%	0.351	S	S	*	.	H	α-helix	trans	-69.4	-30.1	175.2	0	0	0	0	0	112.3	I61 T63 M67	I61-A65 WeakPolarHBondContact O-CB 3.35Å; I61-A65 PolarHBondContact O-N 3.18Å; T63-A65 VanDerWaalsContact C-N 3.26Å; T63-A65 PolarHBondContact O-N 3.37Å; A65-M67 VanDerWaalsContact C-N 3.28Å
66	S	59.9	Low	62.3	Low	99 Å²	99	62.5 Å²	62.5	69%	0.692	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-9	173.2	73.1	0	0	0	0	113.7	L62 T63 S64	L62-S66 PolarHBondContact O-N 3.03Å; T63-S66 PolarHBondContact O-N 3.41Å; T63-S66 VanDerWaalsContact O-N 3.08Å; T63-S66 PolarHBondContact O-OG 2.94Å; S64-S66 VanDerWaalsContact C-N 3.31Å
67	M	56	Low	59.8	Low	50 Å²	50	65 Å²	65	25%	0.246	38%	0.382	C	S	.	.	S	Bend	trans	-101.6	143.5	-176.4	-67.5	-177	114.3	0	0	111.9	T63 S64 A65 F99	T63-M67 HydrophobicContact CG2-SD 4.18Å; T63-M67 WeakPolarHBondContact O-CG 3.14Å; T63-M67 PolarHBondContact O-N 3.37Å; S64-M67 PolarHBondContact O-N 2.82Å; A65-M67 VanDerWaalsContact C-N 3.28Å; M67-F99 HydrophobicContact CE-CD1 4.4Å; M67-F99 HydrophobicContact CE-CD2 3.29Å; M67-F99 HydrophobicContact CE-CE1 4.25Å; M67-F99 HydrophobicContact CE-CE2 3.11Å; M67-F99 HydrophobicContact CE-CG 3.96Å; M67-F99 HydrophobicContact CE-CZ 3.63Å; M67-F99 HydrophobicContact SD-CD2 3.81Å; M67-F99 HydrophobicContact SD-CE2 3.42Å; M67-F99 WeakPolarHBondContact SD-CE2 3.49Å; M67-F99 HydrophobicContact SD-CZ 4.28Å
68	D	50.2	Low	57.3	Low	48 Å²	48	70.2 Å²	70.2	26%	0.257	40%	0.402	S	S	.	.			trans	-66.6	126.9	162.8	175.1	-6.6	0	0	0	108	N70 V71 R79	D68-N70 PolarHBondContact O-N 2.85Å; D68-N70 WeakPolarHBondContact OD1-CB 3.44Å; D68-N70 PolarHBondContact OD1-N 2.85Å; D68-N70 PolarHBondContact OD1-ND2 3.37Å; D68-V71 HydrophobicContact CB-CG2 3.84Å; D68-V71 WeakPolarHBondContact O-CB 3.4Å; D68-V71 VanDerWaalsContact O-CG2 3.25Å; D68-V71 WeakPolarHBondContact O-CG2 3.49Å; D68-V71 PolarHBondContact O-N 3.4Å; D68-R79 IonicContact OD2-CZ 2.69Å; D68-R79 IonicContact OD2-NH1 2.68Å; D68-R79 PolarHBondContact OD2-NH1 3.15Å
69	P	47.1	Very low	54.8	Low	114 Å²	114	70.1 Å²	70.1	74%	0.74	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-14.5	178.9	21.6	-32.7	0	0	0	113.7
70	N	45.3	Very low	52.5	Low	124 Å²	124	74.5 Å²	74.5	66%	0.663	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	12.2	175.3	-57.1	-63.4	0	0	0	114.4	D68 E72	D68-N70 PolarHBondContact O-N 2.85Å; D68-N70 WeakPolarHBondContact OD1-CB 3.44Å; D68-N70 PolarHBondContact OD1-N 2.85Å; D68-N70 PolarHBondContact OD1-ND2 3.37Å; N70-E72 PolarHBondContact O-N 2.72Å
71	V	44.6	Very low	50.7	Low	50 Å²	50	79.8 Å²	79.8	30%	0.303	44%	0.44	S	S	.	.			trans	-71.5	69.1	171.5	-176.7	0	0	0	0	109.5	D68	D68-V71 HydrophobicContact CB-CG2 3.84Å; D68-V71 WeakPolarHBondContact O-CB 3.4Å; D68-V71 VanDerWaalsContact O-CG2 3.25Å; D68-V71 WeakPolarHBondContact O-CG2 3.49Å; D68-V71 PolarHBondContact O-N 3.4Å
72	E	46.1	Very low	49.1	Very low	95 Å²	95	79.8 Å²	79.8	44%	0.444	44%	0.443	S	S	.	.	S	Bend	trans	-86.4	1	160.6	-67.6	-172.3	160.1	0	0	111.1	N70 K197	N70-E72 PolarHBondContact O-N 2.72Å; E72-K197 IonicContact OE2-NZ 3.57Å; E72-K197 PolarHBondContact OE2-NZ 2.82Å
73	A	41.8	Very low	47.6	Very low	30 Å²	30	75.9 Å²	75.9	25%	0.248	42%	0.424	C	S	.	.	S	Bend	trans	-162	154.7	173.3	0	0	0	0	0	109.4	L75	A73-L75 PolarHBondContact O-N 3.31Å
74	P	35.9	Very low	46.4	Very low	47 Å²	47	78.3 Å²	78.3	31%	0.305	44%	0.441	S	S	.	.	S	Bend	trans	-53.6	132.3	165.3	24	-32.2	0	0	0	108.8	T76 R80 W215	P74-T76 PolarHBondContact O-N 3.25Å; P74-R80 PolarHBondContact O-NH2 3.07Å; P74-W215 HydrophobicContact CG-CH2 3.47Å; P74-W215 VanDerWaalsContact CG-CH2 3.47Å; P74-W215 HydrophobicContact CG-CZ2 4.1Å; P74-W215 HydrophobicContact CG-CZ3 4.33Å
75	L	34.2	Very low	45.6	Very low	77 Å²	77	86.1 Å²	86.1	40%	0.403	47%	0.474	S	S	.	.			trans	-17.5	120.4	-174.1	-64	165.4	0	0	0	112.8	A73 R80 A83	A73-L75 PolarHBondContact O-N 3.31Å; L75-R80 HydrophobicContact CB-CB 4.42Å; L75-R80 WeakPolarHBondContact O-CB 3.25Å; L75-R80 VanDerWaalsContact O-CZ 3.29Å; L75-R80 PolarHBondContact O-NE 2.94Å; L75-R80 PolarHBondContact O-NH2 2.87Å; L75-A83 HydrophobicContact CD1-CB 3.5Å
76	T	33.5	Very low	44.8	Very low	88 Å²	88	89.5 Å²	89.5	54%	0.54	47%	0.473	S	S	.	.			trans	-115.7	155.9	173.4	46.7	0	0	0	0	110.6	P74	P74-T76 PolarHBondContact O-N 3.25Å
77	G	40.4	Very low	44.4	Very low	52 Å²	52	86.7 Å²	86.7	54%	0.536	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	-154.4	176.2	0	0	0	0	0	115.3	R79 R80 L81	G77-R79 PolarHBondContact O-N 2.89Å; G77-R80 WeakPolarHBondContact O-CA 3.48Å; G77-R80 VanDerWaalsContact O-CB 3.23Å; G77-R80 WeakPolarHBondContact O-CB 3.4Å; G77-R80 PolarHBondContact O-N 3.11Å; G77-L81 PolarHBondContact O-N 3.14Å
78	W	38.8	Very low	44.2	Very low	183 Å²	183	87.8 Å²	87.8	69%	0.693	46%	0.462	S	S	*	.	H	α-helix	trans	-60.7	-27.9	-178.6	72	-84.3	0	0	0	112.9	R80 L81 V82	W78-R80 VanDerWaalsContact C-N 3.35Å; W78-L81 CarbonylContact O-C 3.46Å; W78-L81 WeakPolarHBondContact O-CA 3.43Å; W78-L81 WeakPolarHBondContact O-CB 3.45Å; W78-L81 PolarHBondContact O-N 3.37Å; W78-L81 VanDerWaalsContact O-N 3.13Å; W78-V82 HydrophobicContact CE3-CG2 3.78Å; W78-V82 HydrophobicContact CZ3-CG2 4.12Å; W78-V82 VanDerWaalsContact O-CG2 3.31Å; W78-V82 WeakPolarHBondContact O-CG2 3.18Å; W78-V82 PolarHBondContact O-N 3.41Å
79	R	38	Very low	44.5	Very low	121 Å²	121	90.2 Å²	90.2	46%	0.457	48%	0.482	S	S	.	.	H	α-helix	trans	-67.1	-31	171.4	-67.1	-175.9	178.3	178.8	-0.7	113	D68 G77 A83	D68-R79 IonicContact OD2-CZ 2.69Å; D68-R79 IonicContact OD2-NH1 2.68Å; D68-R79 PolarHBondContact OD2-NH1 3.15Å; G77-R79 PolarHBondContact O-N 2.89Å; R79-A83 WeakPolarHBondContact O-CB 3.26Å; R79-A83 PolarHBondContact O-N 3.03Å
80	R	37.9	Very low	44.7	Very low	121 Å²	121	92.1 Å²	92.1	46%	0.457	48%	0.481	S	S	.	.	H	α-helix	trans	-66.6	-41.7	167.6	-176.5	-176.5	-69.7	179.7	-3.2	110.6	P74 L75 G77 W78 A83 S84	P74-R80 PolarHBondContact O-NH2 3.07Å; L75-R80 HydrophobicContact CB-CB 4.42Å; L75-R80 WeakPolarHBondContact O-CB 3.25Å; L75-R80 VanDerWaalsContact O-CZ 3.29Å; L75-R80 PolarHBondContact O-NE 2.94Å; L75-R80 PolarHBondContact O-NH2 2.87Å; G77-R80 WeakPolarHBondContact O-CA 3.48Å; G77-R80 VanDerWaalsContact O-CB 3.23Å; G77-R80 WeakPolarHBondContact O-CB 3.4Å; G77-R80 PolarHBondContact O-N 3.11Å; W78-R80 VanDerWaalsContact C-N 3.35Å; R80-A83 CarbonylContact O-C 3.57Å; R80-S84 WeakPolarHBondContact O-CA 3.32Å; R80-S84 WeakPolarHBondContact O-CB 3.23Å; R80-S84 PolarHBondContact O-N 3.13Å; R80-S84 PolarHBondContact O-OG 2.85Å
81	L	45.6	Very low	45.1	Very low	111 Å²	111	90.6 Å²	90.6	58%	0.581	47%	0.47	S	S	*	.	H	α-helix	trans	-63.3	-50.4	178.3	-94.5	155.5	0	0	0	111	G77 W78 S84 F85	G77-L81 PolarHBondContact O-N 3.14Å; W78-L81 CarbonylContact O-C 3.46Å; W78-L81 WeakPolarHBondContact O-CA 3.43Å; W78-L81 WeakPolarHBondContact O-CB 3.45Å; W78-L81 PolarHBondContact O-N 3.37Å; W78-L81 VanDerWaalsContact O-N 3.13Å; L81-S84 VanDerWaalsContact CA-OG 3.26Å; L81-S84 WeakPolarHBondContact CA-OG 3.48Å; L81-S84 CarbonylContact O-C 3.56Å; L81-S84 PolarHBondContact O-N 3.4Å; L81-S84 PolarHBondContact O-OG 3.48Å; L81-F85 WeakPolarHBondContact O-CB 3.36Å; L81-F85 PolarHBondContact O-N 3.28Å
82	V	47.9	Very low	45.5	Very low	63 Å²	63	91.4 Å²	91.4	38%	0.382	47%	0.469	S	S	.	.	H	α-helix	trans	-59.5	-51.1	174.1	173.8	0	0	0	0	110.1	W78 S84 F85 F86	W78-V82 HydrophobicContact CE3-CG2 3.78Å; W78-V82 HydrophobicContact CZ3-CG2 4.12Å; W78-V82 VanDerWaalsContact O-CG2 3.31Å; W78-V82 WeakPolarHBondContact O-CG2 3.18Å; W78-V82 PolarHBondContact O-N 3.41Å; V82-S84 PolarHBondContact O-N 3.27Å; V82-F85 PolarHBondContact O-N 2.83Å; V82-F85 VanDerWaalsContact O-N 3.13Å; V82-F86 HydrophobicContact CB-CD2 4.38Å; V82-F86 HydrophobicContact CG1-CD2 3.6Å; V82-F86 HydrophobicContact CG1-CE2 4.04Å; V82-F86 WeakPolarHBondContact O-CB 3.45Å; V82-F86 VanDerWaalsContact O-CD2 3.27Å; V82-F86 WeakPolarHBondContact O-CD2 3.5Å; V82-F86 PolarHBondContact O-N 3.41Å
83	A	48.6	Very low	46.1	Very low	12 Å²	12	89.4 Å²	89.4	10%	0.099	47%	0.466	C	S	.	.	H	α-helix	trans	-70	-12.5	175	0	0	0	0	0	113.9	L75 R79 R80 V87 K92	L75-A83 HydrophobicContact CD1-CB 3.5Å; R79-A83 WeakPolarHBondContact O-CB 3.26Å; R79-A83 PolarHBondContact O-N 3.03Å; R80-A83 CarbonylContact O-C 3.57Å; A83-V87 HydrophobicContact CB-CB 4.46Å; A83-V87 HydrophobicContact CB-CG2 4.11Å; A83-V87 WeakPolarHBondContact O-CA 3.08Å; A83-V87 WeakPolarHBondContact O-CB 3.48Å; A83-V87 PolarHBondContact O-N 3.36Å; A83-V87 VanDerWaalsContact O-O 3.07Å; A83-K92 WeakPolarHBondContact O-CE 3.45Å; A83-K92 PolarHBondContact O-NZ 3.12Å; A83-K92 VanDerWaalsContact O-NZ 3.13Å
84	S	46.4	Very low	46.8	Very low	62 Å²	62	94.2 Å²	94.2	43%	0.434	48%	0.481	S	S	.	.	H	α-helix	trans	-89.3	-23.1	170.2	60.8	0	0	0	0	112.6	R80 L81 V82 K92	R80-S84 WeakPolarHBondContact O-CA 3.32Å; R80-S84 WeakPolarHBondContact O-CB 3.23Å; R80-S84 PolarHBondContact O-N 3.13Å; R80-S84 PolarHBondContact O-OG 2.85Å; L81-S84 VanDerWaalsContact CA-OG 3.26Å; L81-S84 WeakPolarHBondContact CA-OG 3.48Å; L81-S84 CarbonylContact O-C 3.56Å; L81-S84 PolarHBondContact O-N 3.4Å; L81-S84 PolarHBondContact O-OG 3.48Å; V82-S84 PolarHBondContact O-N 3.27Å; S84-K92 VanDerWaalsContact CA-NZ 3.32Å
85	F	53.2	Low	48.1	Very low	176 Å²	176	96.8 Å²	96.8	77%	0.772	49%	0.492	S	S	*	.	H	α-helix	trans	-85.6	-42	176	-123.2	-91.2	0	0	0	111.8	L81 V82	L81-F85 WeakPolarHBondContact O-CB 3.36Å; L81-F85 PolarHBondContact O-N 3.28Å; V82-F85 PolarHBondContact O-N 2.83Å; V82-F85 VanDerWaalsContact O-N 3.13Å
86	F	49.9	Very low	49.6	Very low	157 Å²	157	98.3 Å²	98.3	69%	0.689	50%	0.497	S	S	*	.	S	Bend	trans	-100.8	-21.1	-174.1	-67.6	-77.4	0	0	0	114.3	V82	V82-F86 HydrophobicContact CB-CD2 4.38Å; V82-F86 HydrophobicContact CG1-CD2 3.6Å; V82-F86 HydrophobicContact CG1-CE2 4.04Å; V82-F86 WeakPolarHBondContact O-CB 3.45Å; V82-F86 VanDerWaalsContact O-CD2 3.27Å; V82-F86 WeakPolarHBondContact O-CD2 3.5Å; V82-F86 PolarHBondContact O-N 3.41Å
87	V	51.3	Low	51.2	Low	40 Å²	40	100.4 Å²	100.4	24%	0.242	50%	0.498	C	S	.	.	S	Bend	trans	-110.7	117.5	-178.6	-172.9	0	0	0	0	109	A83 E91 K92	A83-V87 HydrophobicContact CB-CB 4.46Å; A83-V87 HydrophobicContact CB-CG2 4.11Å; A83-V87 WeakPolarHBondContact O-CA 3.08Å; A83-V87 WeakPolarHBondContact O-CB 3.48Å; A83-V87 PolarHBondContact O-N 3.36Å; A83-V87 VanDerWaalsContact O-O 3.07Å; V87-E91 VanDerWaalsContact CA-OE2 3.27Å; V87-E91 WeakPolarHBondContact CA-OE2 3.15Å; V87-E91 HydrophobicContact CG1-CB 3.34Å; V87-E91 HydrophobicContact CG1-CG 4.4Å; V87-E91 WeakPolarHBondContact CG1-OE2 3.36Å; V87-K92 HydrophobicContact CG1-CG 3.97Å
88	T	52.4	Low	52.6	Low	73 Å²	73	100.9 Å²	100.9	45%	0.448	49%	0.488	S	S	.	.			trans	-62.7	159	-178.9	63.6	0	0	0	0	110.9	E90 E91 K92	T88-E90 PolarHBondContact O-N 2.88Å; T88-E91 PolarHBondContact N-OE2 2.95Å; T88-E91 PolarHBondContact O-N 3.43Å; T88-E91 VanDerWaalsContact OG1-CG 3.3Å; T88-E91 WeakPolarHBondContact OG1-CG 3.39Å; T88-E91 PolarHBondContact OG1-N 3.22Å; T88-E91 VanDerWaalsContact OG1-N 3.13Å; T88-E91 PolarHBondContact OG1-OE2 3.49Å; T88-K92 PolarHBondContact O-N 3.28Å; T88-K92 VanDerWaalsContact O-N 3.08Å
89	S	54.9	Low	54.4	Low	99 Å²	99	94 Å²	94	69%	0.692	46%	0.463	S	S	*	.	H	α-helix	trans	-55.5	-34.2	172.5	49.4	0	0	0	0	111.9	S93	S89-S93 PolarHBondContact O-N 3.35Å; S89-S93 VanDerWaalsContact O-N 3.11Å
90	E	52.9	Low	56.2	Low	153 Å²	153	92.8 Å²	92.8	72%	0.715	46%	0.459	S	S	*	.	H	α-helix	trans	-67.1	-47.5	176.6	-63.7	-171.8	163	0	0	112.2	T88 K92 S93 F94	T88-E90 PolarHBondContact O-N 2.88Å; E90-K92 VanDerWaalsContact C-N 3.34Å; E90-K92 PolarHBondContact O-N 2.75Å; E90-S93 WeakPolarHBondContact O-CB 3.37Å; E90-S93 PolarHBondContact O-N 3.26Å; E90-S93 VanDerWaalsContact O-N 3.16Å; E90-F94 WeakPolarHBondContact O-CB 3.38Å; E90-F94 PolarHBondContact O-N 2.96Å
91	E	52.9	Low	58.1	Low	93 Å²	93	93.1 Å²	93.1	44%	0.435	47%	0.467	S	S	.	.	H	α-helix	trans	-63.8	-37.1	177.5	-74.9	169.9	148.8	0	0	112.3	V87 T88 F94 I95	V87-E91 VanDerWaalsContact CA-OE2 3.27Å; V87-E91 WeakPolarHBondContact CA-OE2 3.15Å; V87-E91 HydrophobicContact CG1-CB 3.34Å; V87-E91 HydrophobicContact CG1-CG 4.4Å; V87-E91 WeakPolarHBondContact CG1-OE2 3.36Å; T88-E91 PolarHBondContact N-OE2 2.95Å; T88-E91 PolarHBondContact O-N 3.43Å; T88-E91 VanDerWaalsContact OG1-CG 3.3Å; T88-E91 WeakPolarHBondContact OG1-CG 3.39Å; T88-E91 PolarHBondContact OG1-N 3.22Å; T88-E91 VanDerWaalsContact OG1-N 3.13Å; T88-E91 PolarHBondContact OG1-OE2 3.49Å; E91-F94 WeakPolarHBondContact O-CB 3.41Å; E91-F94 PolarHBondContact O-N 2.93Å; E91-I95 WeakPolarHBondContact O-CG1 3.43Å; E91-I95 PolarHBondContact O-N 2.89Å
92	K	53.2	Low	59.8	Low	66 Å²	66	89.4 Å²	89.4	29%	0.287	45%	0.449	S	S	.	.	H	α-helix	trans	-61.8	-46.5	172	-73.7	177.9	-175.8	166.6	0	111.4	A83 S84 V87 T88 E90 F94 I95 H96	A83-K92 WeakPolarHBondContact O-CE 3.45Å; A83-K92 PolarHBondContact O-NZ 3.12Å; A83-K92 VanDerWaalsContact O-NZ 3.13Å; S84-K92 VanDerWaalsContact CA-NZ 3.32Å; V87-K92 HydrophobicContact CG1-CG 3.97Å; T88-K92 PolarHBondContact O-N 3.28Å; T88-K92 VanDerWaalsContact O-N 3.08Å; E90-K92 VanDerWaalsContact C-N 3.34Å; E90-K92 PolarHBondContact O-N 2.75Å; K92-F94 VanDerWaalsContact C-N 3.28Å; K92-F94 PolarHBondContact O-N 2.9Å; K92-I95 PolarHBondContact O-N 3.36Å; K92-H96 PolarHBondContact O-N 3.24Å; K92-H96 VanDerWaalsContact O-N 3.12Å; K92-H96 PolarHBondContact O-ND1 3.17Å
93	S	58.1	Low	61.5	Low	53 Å²	53	87.5 Å²	87.5	37%	0.371	44%	0.435	S	S	.	.	H	α-helix	trans	-59.3	-41.9	176.7	-172.9	0	0	0	0	111	S89 E90 H96 K97	S89-S93 PolarHBondContact O-N 3.35Å; S89-S93 VanDerWaalsContact O-N 3.11Å; E90-S93 WeakPolarHBondContact O-CB 3.37Å; E90-S93 PolarHBondContact O-N 3.26Å; E90-S93 VanDerWaalsContact O-N 3.16Å; S93-H96 PolarHBondContact O-N 3.26Å; S93-K97 WeakPolarHBondContact O-CB 3.4Å; S93-K97 VanDerWaalsContact O-CG 3.25Å; S93-K97 WeakPolarHBondContact O-CG 3.28Å; S93-K97 PolarHBondContact O-N 3.26Å
94	F	57.3	Low	63.3	Low	131 Å²	131	89.6 Å²	89.6	58%	0.575	44%	0.444	S	S	*	.	H	α-helix	trans	-61.5	-48.8	177.2	-174.7	-104.1	0	0	0	112.8	E90 E91 K92 H96 K97 N98	E90-F94 WeakPolarHBondContact O-CB 3.38Å; E90-F94 PolarHBondContact O-N 2.96Å; E91-F94 WeakPolarHBondContact O-CB 3.41Å; E91-F94 PolarHBondContact O-N 2.93Å; K92-F94 VanDerWaalsContact C-N 3.28Å; K92-F94 PolarHBondContact O-N 2.9Å; F94-H96 PolarHBondContact O-N 3.32Å; F94-K97 PolarHBondContact O-N 3.44Å; F94-N98 WeakPolarHBondContact CD1-ND2 3.43Å; F94-N98 WeakPolarHBondContact CE1-ND2 3.42Å; F94-N98 WeakPolarHBondContact CZ-ND2 3.25Å; F94-N98 PolarHBondContact O-N 3.49Å; F94-N98 PolarHBondContact O-ND2 2.96Å
95	I	63.1	Low	65.3	Low	102 Å²	102	90.5 Å²	90.5	52%	0.523	44%	0.443	S	S	.	.	H	α-helix	trans	-60.6	-45.9	178	-67.1	166.7	0	0	0	111.3	E91 K92 K97 N98 F99	E91-I95 WeakPolarHBondContact O-CG1 3.43Å; E91-I95 PolarHBondContact O-N 2.89Å; K92-I95 PolarHBondContact O-N 3.36Å; I95-K97 PolarHBondContact O-N 2.99Å; I95-N98 PolarHBondContact O-N 2.95Å; I95-F99 PolarHBondContact O-N 2.94Å
96	H	64.5	Low	67.1	Low	109 Å²	109	82.3 Å²	82.3	51%	0.505	41%	0.407	S	S	.	.	H	α-helix	trans	-66.2	-37.8	179.7	-72	83.7	0	0	0	112.3	K92 S93 F94 R100	K92-H96 PolarHBondContact O-N 3.24Å; K92-H96 VanDerWaalsContact O-N 3.12Å; K92-H96 PolarHBondContact O-ND1 3.17Å; S93-H96 PolarHBondContact O-N 3.26Å; F94-H96 PolarHBondContact O-N 3.32Å; H96-R100 WeakPolarHBondContact O-CB 3.23Å; H96-R100 PolarHBondContact O-N 2.77Å
97	K	67.8	Low	69	Low	132 Å²	132	75.1 Å²	75.1	57%	0.574	38%	0.376	S	S	*	.	H	α-helix	trans	-63.8	-46.2	175.1	-77.7	175.3	-178.4	-178.9	0	111.6	S93 F94 I95 R100 M101	S93-K97 WeakPolarHBondContact O-CB 3.4Å; S93-K97 VanDerWaalsContact O-CG 3.25Å; S93-K97 WeakPolarHBondContact O-CG 3.28Å; S93-K97 PolarHBondContact O-N 3.26Å; F94-K97 PolarHBondContact O-N 3.44Å; I95-K97 PolarHBondContact O-N 2.99Å; K97-R100 PolarHBondContact O-N 3.34Å; K97-M101 WeakPolarHBondContact O-CB 3.26Å; K97-M101 PolarHBondContact O-N 3.19Å
98	N	71.1	Confident	71.1	Confident	61 Å²	61	78.4 Å²	78.4	33%	0.326	39%	0.393	S	S	.	.	H	α-helix	trans	-63.8	-42.3	177.9	-71.4	-21.4	0	0	0	111.9	F94 I95 M101 V102	F94-N98 WeakPolarHBondContact CD1-ND2 3.43Å; F94-N98 WeakPolarHBondContact CE1-ND2 3.42Å; F94-N98 WeakPolarHBondContact CZ-ND2 3.25Å; F94-N98 PolarHBondContact O-N 3.49Å; F94-N98 PolarHBondContact O-ND2 2.96Å; I95-N98 PolarHBondContact O-N 2.95Å; N98-M101 PolarHBondContact O-N 2.95Å; N98-V102 WeakPolarHBondContact O-CG2 3.43Å; N98-V102 PolarHBondContact O-N 2.8Å
99	F	75.1	Confident	73.1	Confident	38 Å²	38	76.4 Å²	76.4	17%	0.167	38%	0.379	C	S	.	.	H	α-helix	trans	-60.9	-46.5	175.3	177.8	-105.1	0	0	0	112.1	T63 M67 I95 M101 V102 R103 L177 V179	T63-F99 HydrophobicContact CG2-CD2 3.58Å; T63-F99 HydrophobicContact CG2-CE2 3.84Å; M67-F99 HydrophobicContact CE-CD1 4.4Å; M67-F99 HydrophobicContact CE-CD2 3.29Å; M67-F99 HydrophobicContact CE-CE1 4.25Å; M67-F99 HydrophobicContact CE-CE2 3.11Å; M67-F99 HydrophobicContact CE-CG 3.96Å; M67-F99 HydrophobicContact CE-CZ 3.63Å; M67-F99 HydrophobicContact SD-CD2 3.81Å; M67-F99 HydrophobicContact SD-CE2 3.42Å; M67-F99 WeakPolarHBondContact SD-CE2 3.49Å; M67-F99 HydrophobicContact SD-CZ 4.28Å; I95-F99 PolarHBondContact O-N 2.94Å; F99-M101 VanDerWaalsContact C-N 3.32Å; F99-M101 PolarHBondContact O-N 2.91Å; F99-V102 PolarHBondContact O-N 3.13Å; F99-R103 VanDerWaalsContact O-CB 3.28Å; F99-R103 WeakPolarHBondContact O-CB 3.31Å; F99-R103 PolarHBondContact O-N 3.49Å; F99-L177 HydrophobicContact CE2-CD2 3.91Å; F99-L177 WeakPolarHBondContact CZ-O 3.35Å; F99-V179 HydrophobicContact CE1-CG2 4.31Å
100	R	75.3	Confident	75	Confident	97 Å²	97	72.7 Å²	72.7	37%	0.366	35%	0.351	S	S	.	.	H	α-helix	trans	-58.1	-46.3	175.9	-175.6	-179.7	-65.5	-131	2.5	110.8	H96 K97 V102 R103 D104 E214	H96-R100 WeakPolarHBondContact O-CB 3.23Å; H96-R100 PolarHBondContact O-N 2.77Å; K97-R100 PolarHBondContact O-N 3.34Å; R100-V102 PolarHBondContact O-N 3.18Å; R100-R103 PolarHBondContact O-N 2.68Å; R100-D104 WeakPolarHBondContact O-CB 3.49Å; R100-D104 PolarHBondContact O-N 3.26Å; R100-E214 IonicContact CZ-OE2 3.91Å; R100-E214 IonicContact NH1-OE2 3.58Å; R100-E214 PolarHBondContact NH1-OE2 3.24Å; R100-E214 PolarHBondContact NH2-O 3.21Å
101	M	78.3	Confident	77	Confident	127 Å²	127	66.1 Å²	66.1	63%	0.626	32%	0.322	S	S	*	.	H	α-helix	trans	-59.1	-48.7	178.8	-173.4	-172.6	-64.5	0	0	112.3	K97 N98 F99 D104 M105	K97-M101 WeakPolarHBondContact O-CB 3.26Å; K97-M101 PolarHBondContact O-N 3.19Å; N98-M101 PolarHBondContact O-N 2.95Å; F99-M101 VanDerWaalsContact C-N 3.32Å; F99-M101 PolarHBondContact O-N 2.91Å; M101-D104 PolarHBondContact O-N 3.21Å; M101-M105 WeakPolarHBondContact O-CB 3.4Å; M101-M105 PolarHBondContact O-N 3.3Å
102	V	82.4	Confident	79	Confident	33 Å²	33	65.6 Å²	65.6	20%	0.2	32%	0.322	C	S	.	.	H	α-helix	trans	-68.4	-39.7	179.6	-177.7	0	0	0	0	111.5	L59 T63 N98 F99 R100 D104 M105 V106	L59-V102 HydrophobicContact CB-CG1 4.27Å; T63-V102 WeakPolarHBondContact OG1-CG1 3.44Å; N98-V102 WeakPolarHBondContact O-CG2 3.43Å; N98-V102 PolarHBondContact O-N 2.8Å; F99-V102 PolarHBondContact O-N 3.13Å; R100-V102 PolarHBondContact O-N 3.18Å; V102-D104 VanDerWaalsContact C-N 3.33Å; V102-D104 PolarHBondContact O-N 3.15Å; V102-M105 PolarHBondContact O-N 3.2Å; V102-V106 HydrophobicContact CG1-CG2 4.27Å; V102-V106 WeakPolarHBondContact O-CG2 3.13Å; V102-V106 PolarHBondContact O-N 2.81Å
103	R	83.9	Confident	81.1	Confident	23 Å²	23	62.7 Å²	62.7	9%	0.087	31%	0.309	C	S	.	.	H	α-helix	trans	-57.7	-47	174.3	-178	-163.2	68.3	169.4	1.5	111.3	F99 R100 M105 V106 A107 V156 L177	F99-R103 VanDerWaalsContact O-CB 3.28Å; F99-R103 WeakPolarHBondContact O-CB 3.31Å; F99-R103 PolarHBondContact O-N 3.49Å; R100-R103 PolarHBondContact O-N 2.68Å; R103-M105 VanDerWaalsContact C-N 3.34Å; R103-V106 PolarHBondContact O-N 3.49Å; R103-A107 WeakPolarHBondContact O-CB 3.48Å; R103-A107 PolarHBondContact O-N 2.97Å; R103-V156 HydrophobicContact CG-CB 4.49Å; R103-V156 HydrophobicContact CG-CG1 4.24Å; R103-L177 WeakPolarHBondContact CD-O 3.36Å; R103-L177 HydrophobicContact CG-CB 4.36Å
104	D	85.3	Confident	82.9	Confident	56 Å²	56	61 Å²	61	30%	0.299	30%	0.296	S	S	.	.	H	α-helix	trans	-68.9	-35.4	-179.3	-62.3	-9.3	0	0	0	110.8	R100 M101 V102 A107 N108	R100-D104 WeakPolarHBondContact O-CB 3.49Å; R100-D104 PolarHBondContact O-N 3.26Å; M101-D104 PolarHBondContact O-N 3.21Å; V102-D104 VanDerWaalsContact C-N 3.33Å; V102-D104 PolarHBondContact O-N 3.15Å; D104-A107 WeakPolarHBondContact O-CB 3.38Å; D104-A107 PolarHBondContact O-N 3.32Å; D104-N108 WeakPolarHBondContact O-CB 3.47Å; D104-N108 VanDerWaalsContact O-CG 3.26Å; D104-N108 PolarHBondContact O-N 3.21Å; D104-N108 PolarHBondContact O-ND2 2.64Å
105	M	89.3	Confident	84.7	Confident	82 Å²	82	57.5 Å²	57.5	40%	0.404	28%	0.282	S	S	.	.	H	α-helix	trans	-62.9	-46.5	171.5	-176.8	163.4	70.1	0	0	112.2	L59 M101 V102 R103 A107 N108 L109	L59-M105 HydrophobicContact CD1-CE 3.43Å; L59-M105 VanDerWaalsContact CD1-CE 3.43Å; L59-M105 HydrophobicContact CD1-CG 4.13Å; L59-M105 HydrophobicContact CD1-SD 4.24Å; L59-M105 HydrophobicContact CD2-CE 3.6Å; L59-M105 HydrophobicContact CG-CE 4.1Å; M101-M105 WeakPolarHBondContact O-CB 3.4Å; M101-M105 PolarHBondContact O-N 3.3Å; V102-M105 PolarHBondContact O-N 3.2Å; R103-M105 VanDerWaalsContact C-N 3.34Å; M105-A107 VanDerWaalsContact C-N 3.31Å; M105-A107 PolarHBondContact O-N 3.24Å; M105-N108 PolarHBondContact O-N 2.91Å; M105-L109 HydrophobicContact CG-CD1 4.48Å; M105-L109 WeakPolarHBondContact O-CG 3.36Å; M105-L109 PolarHBondContact O-N 3.46Å
106	V	90.2	Very high	86.3	Confident	4 Å²	4	54 Å²	54	2%	0.024	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-40.9	175	170	0	0	0	0	110.9	A56 L59 V102 R103 N108 L109 I110 L174 L177	A56-V106 HydrophobicContact CB-CG1 4.35Å; L59-V106 HydrophobicContact CB-CG2 3.78Å; L59-V106 HydrophobicContact CD1-CG2 4.4Å; V102-V106 HydrophobicContact CG1-CG2 4.27Å; V102-V106 WeakPolarHBondContact O-CG2 3.13Å; V102-V106 PolarHBondContact O-N 2.81Å; R103-V106 PolarHBondContact O-N 3.49Å; V106-N108 PolarHBondContact O-N 3.45Å; V106-L109 PolarHBondContact O-N 3.25Å; V106-I110 HydrophobicContact CG1-CD1 4.05Å; V106-I110 WeakPolarHBondContact O-CG1 3.43Å; V106-I110 PolarHBondContact O-N 3.02Å; V106-L174 HydrophobicContact CG1-CD2 3.74Å; V106-L177 HydrophobicContact CB-CD1 4.03Å; V106-L177 HydrophobicContact CG1-CD1 3.78Å; V106-L177 HydrophobicContact CG2-CD1 3.98Å
107	A	91	Very high	87.8	Confident	5 Å²	5	49.7 Å²	49.7	4%	0.041	25%	0.246	C	C	.	.	H	α-helix	trans	-59	-47.5	175.4	0	0	0	0	0	111.9	R103 D104 M105 L109 I110 V111 C152 V156	R103-A107 WeakPolarHBondContact O-CB 3.48Å; R103-A107 PolarHBondContact O-N 2.97Å; D104-A107 WeakPolarHBondContact O-CB 3.38Å; D104-A107 PolarHBondContact O-N 3.32Å; M105-A107 VanDerWaalsContact C-N 3.31Å; M105-A107 PolarHBondContact O-N 3.24Å; A107-L109 VanDerWaalsContact C-N 3.3Å; A107-L109 PolarHBondContact O-N 2.85Å; A107-I110 PolarHBondContact O-N 3.3Å; A107-I110 VanDerWaalsContact O-N 3.17Å; A107-V111 WeakPolarHBondContact O-CG2 3.46Å; A107-V111 PolarHBondContact O-N 3.26Å; A107-C152 HydrophobicContact CB-CB 4.27Å; A107-V156 HydrophobicContact CB-CG2 3.28Å
108	N	93.3	Very high	89	Confident	109 Å²	109	43.5 Å²	43.5	58%	0.583	22%	0.221	S	C	*	.	H	α-helix	trans	-64.2	-35.3	178.3	-72.1	-27.8	0	0	0	112	D104 M105 V106 V111 L112	D104-N108 WeakPolarHBondContact O-CB 3.47Å; D104-N108 VanDerWaalsContact O-CG 3.26Å; D104-N108 PolarHBondContact O-N 3.21Å; D104-N108 PolarHBondContact O-ND2 2.64Å; M105-N108 PolarHBondContact O-N 2.91Å; V106-N108 PolarHBondContact O-N 3.45Å; N108-V111 PolarHBondContact O-N 2.83Å; N108-L112 WeakPolarHBondContact O-CB 3.19Å; N108-L112 PolarHBondContact O-N 3.1Å
109	L	95.3	Very high	90.1	Very high	32 Å²	32	40.6 Å²	40.6	17%	0.168	21%	0.205	C	C	.	.	H	α-helix	trans	-67.2	-40.4	172.5	-69.5	169.4	0	0	0	112	V52 V55 A56 L59 M105 V106 A107 V111 L112 A113	V52-L109 HydrophobicContact CG1-CB 4.1Å; V52-L109 HydrophobicContact CG1-CD2 4.09Å; V52-L109 WeakPolarHBondContact CG1-O 3.28Å; V55-L109 HydrophobicContact CB-CD1 4.49Å; V55-L109 HydrophobicContact CG1-CD1 3.9Å; A56-L109 HydrophobicContact CB-CB 3.84Å; A56-L109 HydrophobicContact CB-CD1 4.05Å; L59-L109 HydrophobicContact CD1-CD1 3.56Å; M105-L109 HydrophobicContact CG-CD1 4.48Å; M105-L109 WeakPolarHBondContact O-CG 3.36Å; M105-L109 PolarHBondContact O-N 3.46Å; V106-L109 PolarHBondContact O-N 3.25Å; A107-L109 VanDerWaalsContact C-N 3.3Å; A107-L109 PolarHBondContact O-N 2.85Å; L109-V111 VanDerWaalsContact C-N 3.34Å; L109-L112 PolarHBondContact O-N 3.08Å; L109-A113 WeakPolarHBondContact O-CB 3.08Å; L109-A113 PolarHBondContact O-N 3.41Å
110	I	94.1	Very high	90.8	Very high	20 Å²	20	42 Å²	42	10%	0.103	22%	0.218	C	C	.	.	H	α-helix	trans	-62.6	-44.3	173.8	-67	166.4	0	0	0	110.1	V106 A107 L112 A113 H114 L174	V106-I110 HydrophobicContact CG1-CD1 4.05Å; V106-I110 WeakPolarHBondContact O-CG1 3.43Å; V106-I110 PolarHBondContact O-N 3.02Å; A107-I110 PolarHBondContact O-N 3.3Å; A107-I110 VanDerWaalsContact O-N 3.17Å; I110-L112 VanDerWaalsContact C-N 3.35Å; I110-L112 PolarHBondContact O-N 3.49Å; I110-A113 PolarHBondContact O-N 3.43Å; I110-H114 PolarHBondContact O-N 3.2Å; I110-H114 VanDerWaalsContact O-N 3.13Å; I110-H114 PolarHBondContact O-ND1 3.26Å; I110-L174 HydrophobicContact CD1-CD1 4.26Å; I110-L174 HydrophobicContact CD1-CD2 4.34Å
111	V	95.1	Very high	91.7	Very high	15 Å²	15	44.7 Å²	44.7	9%	0.091	23%	0.229	C	C	.	.	H	α-helix	trans	-58.2	-47.7	174.1	170.7	0	0	0	0	110.4	A107 N108 L109 A113 H114 M115 L149 C152 W153	A107-V111 WeakPolarHBondContact O-CG2 3.46Å; A107-V111 PolarHBondContact O-N 3.26Å; N108-V111 PolarHBondContact O-N 2.83Å; L109-V111 VanDerWaalsContact C-N 3.34Å; V111-A113 VanDerWaalsContact C-N 3.33Å; V111-A113 PolarHBondContact O-N 3.25Å; V111-H114 WeakPolarHBondContact O-CB 3.24Å; V111-H114 PolarHBondContact O-N 2.85Å; V111-H114 VanDerWaalsContact O-N 3.12Å; V111-M115 HydrophobicContact CG1-CE 4.03Å; V111-M115 HydrophobicContact CG1-CG 4.35Å; V111-M115 VanDerWaalsContact O-CG 3.26Å; V111-M115 WeakPolarHBondContact O-CG 3.23Å; V111-M115 PolarHBondContact O-N 3.27Å; V111-L149 HydrophobicContact CB-CD1 4.4Å; V111-L149 HydrophobicContact CG1-CD1 4.15Å; V111-L149 HydrophobicContact CG2-CD1 4.17Å; V111-C152 HydrophobicContact CG2-CB 3.81Å; V111-W153 HydrophobicContact CG1-CE3 3.61Å; V111-W153 HydrophobicContact CG1-CZ3 3.57Å; V111-W153 HydrophobicContact CG2-CE3 4.2Å
112	L	96.3	Very high	92.5	Very high	83 Å²	83	39.7 Å²	39.7	44%	0.435	21%	0.205	S	C	.	.	H	α-helix	trans	-58.9	-42.6	177.3	179	62.4	0	0	0	112	V52 N108 L109 I110 H114 M115 V116	V52-L112 HydrophobicContact CG1-CB 4.23Å; V52-L112 HydrophobicContact CG1-CD2 4.16Å; V52-L112 HydrophobicContact CG1-CG 4.23Å; V52-L112 HydrophobicContact CG2-CD2 4.08Å; V52-L112 HydrophobicContact CG2-CG 4.33Å; N108-L112 WeakPolarHBondContact O-CB 3.19Å; N108-L112 PolarHBondContact O-N 3.1Å; L109-L112 PolarHBondContact O-N 3.08Å; I110-L112 VanDerWaalsContact C-N 3.35Å; I110-L112 PolarHBondContact O-N 3.49Å; L112-H114 VanDerWaalsContact C-N 3.28Å; L112-H114 PolarHBondContact O-N 3.04Å; L112-M115 WeakPolarHBondContact O-CB 3.48Å; L112-M115 PolarHBondContact O-N 3.25Å; L112-M115 VanDerWaalsContact O-N 3.11Å; L112-V116 WeakPolarHBondContact O-CG2 3.37Å; L112-V116 PolarHBondContact O-N 3.42Å
113	A	96.5	Very high	93.2	Very high	4 Å²	4	42 Å²	42	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-59.9	-39.2	176.2	0	0	0	0	0	111.9	V52 L53 L109 I110 V111 V116 V117	V52-A113 HydrophobicContact CB-CB 4.31Å; V52-A113 HydrophobicContact CG1-CB 3.93Å; L53-A113 HydrophobicContact CD1-CB 4.49Å; L53-A113 HydrophobicContact CD2-CB 3.63Å; L53-A113 HydrophobicContact CG-CB 3.81Å; L109-A113 WeakPolarHBondContact O-CB 3.08Å; L109-A113 PolarHBondContact O-N 3.41Å; I110-A113 PolarHBondContact O-N 3.43Å; V111-A113 VanDerWaalsContact C-N 3.33Å; V111-A113 PolarHBondContact O-N 3.25Å; A113-V116 PolarHBondContact O-N 3.31Å; A113-V117 WeakPolarHBondContact O-CG2 3.31Å; A113-V117 PolarHBondContact O-N 2.87Å
114	H	96.5	Very high	93.9	Very high	19 Å²	19	44 Å²	44	9%	0.088	23%	0.227	C	C	.	.	H	α-helix	trans	-68	-40.2	173.5	-70.7	82.2	0	0	0	112	I110 V111 L112 V116 V117 G118 F119 F146 L149	I110-H114 PolarHBondContact O-N 3.2Å; I110-H114 VanDerWaalsContact O-N 3.13Å; I110-H114 PolarHBondContact O-ND1 3.26Å; V111-H114 WeakPolarHBondContact O-CB 3.24Å; V111-H114 PolarHBondContact O-N 2.85Å; V111-H114 VanDerWaalsContact O-N 3.12Å; L112-H114 VanDerWaalsContact C-N 3.28Å; L112-H114 PolarHBondContact O-N 3.04Å; H114-V116 VanDerWaalsContact C-N 3.26Å; H114-V116 PolarHBondContact O-N 3.28Å; H114-V117 WeakPolarHBondContact O-CB 3.47Å; H114-V117 PolarHBondContact O-N 3.29Å; H114-V117 VanDerWaalsContact O-N 3.14Å; H114-G118 PolarHBondContact O-N 3.32Å; H114-G118 VanDerWaalsContact O-N 3.1Å; H114-F119 HydrophobicContact CB-CB 4.4Å; H114-F119 HydrophobicContact CB-CD2 3.82Å; H114-F119 HydrophobicContact CB-CG 4.42Å; H114-F119 VanDerWaalsContact O-CD2 3.31Å; H114-F119 WeakPolarHBondContact O-CD2 3.48Å; H114-F119 PolarHBondContact O-N 3.37Å; H114-F119 VanDerWaalsContact O-N 3.08Å; H114-F146 AromaticContact CD2-CD1 3.75Å; H114-F146 AromaticContact NE2-CD1 3.87Å; H114-L149 HydrophobicContact CB-CB 4.26Å; H114-L149 HydrophobicContact CB-CD1 4Å; H114-L149 HydrophobicContact CB-CD2 4.1Å; H114-L149 HydrophobicContact CB-CG 4.34Å
115	M	95.7	Very high	94.5	Very high	56 Å²	56	44.4 Å²	44.4	28%	0.276	23%	0.226	S	C	.	.	H	α-helix	trans	-58.7	-41.8	174.9	-61.7	-79.4	145.7	0	0	110.9	V111 L112 G118 F119 V122 L149 W153	V111-M115 HydrophobicContact CG1-CE 4.03Å; V111-M115 HydrophobicContact CG1-CG 4.35Å; V111-M115 VanDerWaalsContact O-CG 3.26Å; V111-M115 WeakPolarHBondContact O-CG 3.23Å; V111-M115 PolarHBondContact O-N 3.27Å; L112-M115 WeakPolarHBondContact O-CB 3.48Å; L112-M115 PolarHBondContact O-N 3.25Å; L112-M115 VanDerWaalsContact O-N 3.11Å; M115-G118 PolarHBondContact O-N 2.92Å; M115-G118 VanDerWaalsContact O-N 3.15Å; M115-F119 VanDerWaalsContact CE-O 3.24Å; M115-F119 WeakPolarHBondContact CE-O 3.31Å; M115-V122 HydrophobicContact CE-CG2 3.53Å; M115-L149 HydrophobicContact CE-CD1 4.38Å; M115-W153 HydrophobicContact CE-CE3 4.42Å; M115-W153 HydrophobicContact CE-CH2 4.49Å; M115-W153 HydrophobicContact CE-CZ3 3.74Å
116	V	95.9	Very high	94.8	Very high	30 Å²	30	43.4 Å²	43.4	18%	0.182	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-42.8	174.4	170.1	0	0	0	0	111.9	R45 L48 A49 L112 A113 H114 G118	R45-V116 HydrophobicContact CB-CG1 4.44Å; R45-V116 WeakPolarHBondContact CD-O 3.36Å; R45-V116 VanDerWaalsContact CG-O 3.25Å; R45-V116 WeakPolarHBondContact CG-O 3.22Å; R45-V116 PolarHBondContact NE-O 3.41Å; R45-V116 WeakPolarHBondContact O-CG1 3.45Å; L48-V116 HydrophobicContact CB-CG1 3.54Å; L48-V116 HydrophobicContact CD1-CG1 4.46Å; A49-V116 HydrophobicContact CB-CG1 4.08Å; L112-V116 WeakPolarHBondContact O-CG2 3.37Å; L112-V116 PolarHBondContact O-N 3.42Å; A113-V116 PolarHBondContact O-N 3.31Å; H114-V116 VanDerWaalsContact C-N 3.26Å; H114-V116 PolarHBondContact O-N 3.28Å; V116-G118 PolarHBondContact O-N 3.19Å
117	V	95.3	Very high	95	Very high	17 Å²	17	47.7 Å²	47.7	10%	0.103	27%	0.267	C	S	.	.	H	α-helix	trans	-58.9	-31.4	175.1	169.2	0	0	0	0	111.7	R45 A49 A113 H114 F119 F146 A276 L277	R45-V117 WeakPolarHBondContact CD-O 3.36Å; R45-V117 PolarHBondContact NH1-O 3.2Å; A49-V117 HydrophobicContact CB-CG2 4.26Å; A113-V117 WeakPolarHBondContact O-CG2 3.31Å; A113-V117 PolarHBondContact O-N 2.87Å; H114-V117 WeakPolarHBondContact O-CB 3.47Å; H114-V117 PolarHBondContact O-N 3.29Å; H114-V117 VanDerWaalsContact O-N 3.14Å; V117-F119 HydrophobicContact CG1-CD2 4.45Å; V117-F119 HydrophobicContact CG1-CE2 4.23Å; V117-F146 HydrophobicContact CG1-CE1 4.39Å; V117-A276 HydrophobicContact CG1-CB 4.11Å; V117-L277 HydrophobicContact CB-CD2 4.38Å; V117-L277 HydrophobicContact CG1-CD2 4.24Å; V117-L277 HydrophobicContact CG1-CG 4.4Å; V117-L277 HydrophobicContact CG2-CD2 4.04Å
118	G	94.3	Very high	95.1	Very high	3 Å²	3	51.2 Å²	51.2	3%	0.031	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	138.8	2.8	173.6	0	0	0	0	0	115	H114 M115 V116 C120 L282	H114-G118 PolarHBondContact O-N 3.32Å; H114-G118 VanDerWaalsContact O-N 3.1Å; M115-G118 PolarHBondContact O-N 2.92Å; M115-G118 VanDerWaalsContact O-N 3.15Å; V116-G118 PolarHBondContact O-N 3.19Å; G118-C120 PolarHBondContact O-N 3.04Å; G118-L282 PolarHBondContact O-N 3.5Å
119	F	94.5	Very high	95.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.256	C	S	.	.			trans	-72.4	67.7	178.9	-69.7	-82.1	0	0	0	112.2	H114 M115 V117 R121 F146 L149 W253 I260 L282	H114-F119 HydrophobicContact CB-CB 4.4Å; H114-F119 HydrophobicContact CB-CD2 3.82Å; H114-F119 HydrophobicContact CB-CG 4.42Å; H114-F119 VanDerWaalsContact O-CD2 3.31Å; H114-F119 WeakPolarHBondContact O-CD2 3.48Å; H114-F119 PolarHBondContact O-N 3.37Å; H114-F119 VanDerWaalsContact O-N 3.08Å; M115-F119 VanDerWaalsContact CE-O 3.24Å; M115-F119 WeakPolarHBondContact CE-O 3.31Å; V117-F119 HydrophobicContact CG1-CD2 4.45Å; V117-F119 HydrophobicContact CG1-CE2 4.23Å; F119-R121 PolarHBondContact O-N 3.21Å; F119-F146 AromaticContact CE2-CD1 3.58Å; F119-F146 HydrophobicContact CE2-CD1 3.58Å; F119-F146 AromaticContact CE2-CE1 3.71Å; F119-F146 HydrophobicContact CE2-CE1 3.71Å; F119-F146 HydrophobicContact CE2-CG 4.25Å; F119-F146 HydrophobicContact CE2-CZ 4.46Å; F119-F146 HydrophobicContact CZ-CB 4.3Å; F119-F146 AromaticContact CZ-CD1 3.78Å; F119-F146 HydrophobicContact CZ-CD1 3.78Å; F119-F146 HydrophobicContact CZ-CD2 4.49Å; F119-F146 HydrophobicContact CZ-CE1 4.15Å; F119-F146 AromaticContact CZ-CG 3.96Å; F119-F146 HydrophobicContact CZ-CG 3.96Å; F119-L149 HydrophobicContact CB-CD2 3.73Å; F119-L149 HydrophobicContact CD1-CD2 3.87Å; F119-L149 HydrophobicContact CD2-CD2 4.27Å; F119-L149 HydrophobicContact CG-CD2 3.7Å; F119-W253 HydrophobicContact CD1-CE3 4.4Å; F119-W253 AromaticContact CD1-CZ3 3.82Å; F119-W253 HydrophobicContact CD1-CZ3 3.82Å; F119-W253 AromaticContact CE1-CE3 3.72Å; F119-W253 HydrophobicContact CE1-CE3 3.72Å; F119-W253 HydrophobicContact CE1-CH2 4.27Å; F119-W253 AromaticContact CE1-CZ3 3.25Å; F119-W253 HydrophobicContact CE1-CZ3 3.25Å; F119-W253 AromaticContact CZ-CZ3 3.98Å; F119-W253 HydrophobicContact CZ-CZ3 3.98Å; F119-I260 HydrophobicContact CE1-CD1 3.77Å; F119-I260 HydrophobicContact CZ-CD1 3.52Å; F119-L282 CarbonylContact C-O 3.55Å; F119-L282 WeakPolarHBondContact CA-O 3.04Å; F119-L282 HydrophobicContact CB-CB 4.48Å; F119-L282 HydrophobicContact CD1-CB 3.42Å; F119-L282 VanDerWaalsContact CD1-CB 3.42Å; F119-L282 HydrophobicContact CD1-CD1 4.28Å; F119-L282 HydrophobicContact CD1-CG 4.46Å; F119-L282 HydrophobicContact CD2-CD1 4.22Å; F119-L282 HydrophobicContact CE1-CB 3.64Å; F119-L282 HydrophobicContact CE1-CD1 3.9Å; F119-L282 HydrophobicContact CE1-CG 4.28Å; F119-L282 HydrophobicContact CE2-CD1 3.87Å; F119-L282 HydrophobicContact CG-CB 3.91Å; F119-L282 HydrophobicContact CG-CD1 4.43Å; F119-L282 HydrophobicContact CZ-CB 4.33Å; F119-L282 HydrophobicContact CZ-CD1 3.72Å
120	C	89.7	Confident	94.9	Very high	66 Å²	66	47.7 Å²	47.7	45%	0.446	27%	0.267	S	S	.	.			trans	-72.1	-12.1	-169.6	63.7	0	0	0	0	114.9	G118 R281 L282	G118-C120 PolarHBondContact O-N 3.04Å; C120-R281 VanDerWaalsContact SG-CB 3.6Å; C120-L282 PolarHBondContact N-O 2.96Å
121	R	92.7	Very high	94.6	Very high	154 Å²	154	47.5 Å²	47.5	58%	0.581	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.8	115.3	-176.6	-176.5	177.2	-176	123.9	2.1	112	F119 Y283 V284	F119-R121 PolarHBondContact O-N 3.21Å; R121-Y283 HydrophobicContact CB-CD1 3.77Å; R121-Y283 HydrophobicContact CB-CE1 4.03Å; R121-Y283 HydrophobicContact CG-CD1 4.32Å; R121-V284 PolarHBondContact O-N 2.92Å
122	V	95.5	Very high	94.3	Very high	22 Å²	22	47.9 Å²	47.9	13%	0.133	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	115.8	168.9	179.3	0	0	0	0	107.7	M115 V124 L149 W153 V284 I286	M115-V122 HydrophobicContact CE-CG2 3.53Å; V122-V124 HydrophobicContact CG1-CG2 4.29Å; V122-L149 HydrophobicContact CG2-CD1 4.32Å; V122-L149 HydrophobicContact CG2-CD2 4.24Å; V122-L149 HydrophobicContact CG2-CG 4.48Å; V122-W153 HydrophobicContact CB-CD2 4.07Å; V122-W153 HydrophobicContact CB-CE3 4.14Å; V122-W153 HydrophobicContact CB-CH2 3.98Å; V122-W153 HydrophobicContact CB-CZ2 3.89Å; V122-W153 HydrophobicContact CB-CZ3 4.1Å; V122-W153 HydrophobicContact CG1-CD2 3.6Å; V122-W153 HydrophobicContact CG1-CE3 4.14Å; V122-W153 HydrophobicContact CG1-CG 3.87Å; V122-W153 HydrophobicContact CG1-CH2 4.47Å; V122-W153 HydrophobicContact CG1-CZ2 3.97Å; V122-W153 HydrophobicContact CG2-CD2 4.18Å; V122-W153 HydrophobicContact CG2-CE3 3.83Å; V122-W153 HydrophobicContact CG2-CH2 4.22Å; V122-W153 HydrophobicContact CG2-CZ3 3.86Å; V122-V284 HydrophobicContact CB-CG1 4.01Å; V122-V284 HydrophobicContact CG1-CG1 3.97Å; V122-V284 HydrophobicContact CG2-CG1 3.58Å; V122-I286 HydrophobicContact CG1-CD1 3.96Å
123	K	97.3	Very high	94.1	Very high	81 Å²	81	49.4 Å²	49.4	35%	0.352	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.3	175.6	-171.9	-171.9	-175.1	176.4	0	109	V284 E285 I286	K123-V284 PolarHBondContact N-O 3.35Å; K123-E285 HydrophobicContact CB-CB 4.34Å; K123-E285 HydrophobicContact CB-CG 4.11Å; K123-E285 HydrophobicContact CD-CG 4Å; K123-E285 WeakPolarHBondContact CD-OE1 3.33Å; K123-E285 IonicContact NZ-OE1 3.95Å; K123-E285 PolarHBondContact NZ-OE1 3.43Å; K123-E285 CarbonylContact O-C 3.59Å; K123-E285 VanDerWaalsContact O-CA 3.27Å; K123-E285 WeakPolarHBondContact O-CA 3.32Å; K123-I286 PolarHBondContact O-N 3.36Å
124	V	97.6	Very high	94	Very high	65 Å²	65	49.2 Å²	49.2	39%	0.394	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.8	175.5	-175.7	0	0	0	0	109.2	V122 I286 F288	V122-V124 HydrophobicContact CG1-CG2 4.29Å; V124-I286 CarbonylContact C-O 3.53Å; V124-I286 WeakPolarHBondContact CA-O 3.34Å; V124-F288 HydrophobicContact CG1-CD2 3.91Å; V124-F288 HydrophobicContact CG1-CE2 3.73Å
125	K	97.9	Very high	93.8	Very high	65 Å²	65	48.3 Å²	48.3	28%	0.283	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.3	173.9	-68.8	171.6	178	162.9	0	109.1	E285 I286 E287 F288	K125-E285 IonicContact NZ-OE2 2.55Å; K125-E285 PolarHBondContact NZ-OE2 3.2Å; K125-I286 PolarHBondContact N-O 3.14Å; K125-E287 HydrophobicContact CB-CB 4.16Å; K125-E287 HydrophobicContact CB-CG 3.9Å; K125-E287 HydrophobicContact CD-CB 4.44Å; K125-E287 HydrophobicContact CD-CG 4.18Å; K125-E287 IonicContact NZ-OE2 2.65Å; K125-E287 WeakPolarHBondContact O-CA 3.3Å; K125-F288 PolarHBondContact O-N 2.87Å
126	G	96	Very high	93.8	Very high	61 Å²	61	45.6 Å²	45.6	63%	0.629	26%	0.261	S	S	*	.	S	Bend	trans	70.4	-174.7	-173.4	0	0	0	0	0	112.3
127	S	94.5	Very high	93.9	Very high	95 Å²	95	44.2 Å²	44.2	66%	0.664	25%	0.253	S	S	*	.			trans	-126.7	140.6	-178.7	53.4	0	0	0	0	110.9	A129 Q247	S127-A129 PolarHBondContact O-N 3.3Å; S127-Q247 PolarHBondContact O-NE2 2.79Å
128	R	94	Very high	94	Very high	78 Å²	78	43.4 Å²	43.4	29%	0.294	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-65.8	126.3	172.5	-174.6	176.1	174	-175.4	-2.6	109.1	I154 F288	R128-I154 PolarHBondContact NH1-O 3.31Å; R128-F288 HydrophobicContact CB-CD1 4.07Å; R128-F288 HydrophobicContact CB-CE1 3.62Å; R128-F288 HydrophobicContact CB-CE2 4.43Å; R128-F288 HydrophobicContact CB-CZ 3.81Å; R128-F288 HydrophobicContact CG-CD1 4.48Å; R128-F288 HydrophobicContact CG-CE1 3.84Å; R128-F288 HydrophobicContact CG-CZ 4.31Å
129	A	93.2	Very high	94.1	Very high	12 Å²	12	43.3 Å²	43.3	10%	0.099	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-73.1	156.4	174.6	0	0	0	0	0	110.6	S127 E133 A134 Q217 V291	S127-A129 PolarHBondContact O-N 3.3Å; A129-E133 HydrophobicContact CB-CB 4.36Å; A129-A134 HydrophobicContact CB-CB 4.26Å; A129-Q217 PolarHBondContact O-NE2 3.3Å; A129-Q217 PolarHBondContact O-OE1 3.22Å; A129-V291 HydrophobicContact CB-CG2 3.4Å
130	S	90.4	Very high	94.3	Very high	56 Å²	56	43.3 Å²	43.3	39%	0.392	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-66.8	158.8	176.9	67.3	0	0	0	0	111.7	G132 E133 A134 Q217	S130-G132 PolarHBondContact O-N 3.22Å; S130-E133 PolarHBondContact N-OE2 3.33Å; S130-E133 PolarHBondContact O-N 3.02Å; S130-E133 VanDerWaalsContact OG-CD 3.27Å; S130-E133 VanDerWaalsContact OG-CG 3.28Å; S130-E133 WeakPolarHBondContact OG-CG 3.33Å; S130-E133 PolarHBondContact OG-N 3.44Å; S130-E133 PolarHBondContact OG-OE2 2.93Å; S130-A134 PolarHBondContact O-N 3.41Å; S130-Q217 PolarHBondContact O-NE2 2.79Å
131	A	88.2	Confident	94.7	Very high	15 Å²	15	40.3 Å²	40.3	12%	0.124	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.5	176.1	0	0	0	0	0	113.2	P135 Q217	A131-P135 WeakPolarHBondContact O-CA 3.41Å; A131-Q217 HydrophobicContact CB-CG 3.71Å
132	G	88.6	Confident	94.9	Very high	24 Å²	24	35.1 Å²	35.1	25%	0.247	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-35.7	175.6	0	0	0	0	0	113.5	S130	S130-G132 PolarHBondContact O-N 3.22Å
133	E	91.8	Very high	94.8	Very high	114 Å²	114	34.1 Å²	34.1	53%	0.533	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-43.2	177.8	-69.6	163.2	147.8	0	0	112.1	A129 S130 P245	A129-E133 HydrophobicContact CB-CB 4.36Å; S130-E133 PolarHBondContact N-OE2 3.33Å; S130-E133 PolarHBondContact O-N 3.02Å; S130-E133 VanDerWaalsContact OG-CD 3.27Å; S130-E133 VanDerWaalsContact OG-CG 3.28Å; S130-E133 WeakPolarHBondContact OG-CG 3.33Å; S130-E133 PolarHBondContact OG-N 3.44Å; S130-E133 PolarHBondContact OG-OE2 2.93Å; E133-P245 WeakPolarHBondContact O-CB 3.48Å
134	A	94.2	Very high	94.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.186	C	C	.	.			trans	-141.4	93.4	-179.4	0	0	0	0	0	110	A129 S130 I136 Q217 Q247 V291	A129-A134 HydrophobicContact CB-CB 4.26Å; S130-A134 PolarHBondContact O-N 3.41Å; A134-I136 PolarHBondContact O-N 3.24Å; A134-I136 VanDerWaalsContact O-N 3.09Å; A134-Q217 PolarHBondContact O-NE2 2.72Å; A134-Q247 HydrophobicContact CB-CB 3.91Å; A134-V291 HydrophobicContact CB-CG1 3.93Å; A134-V291 HydrophobicContact CB-CG2 3.93Å
135	P	93.3	Very high	94.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-64.7	-17.4	-179.2	25.3	-35.3	0	0	0	113.4	A131 A202 M205 I206 Q217 I218 L244	A131-P135 WeakPolarHBondContact O-CA 3.41Å; P135-A202 HydrophobicContact CB-CB 3.99Å; P135-A202 HydrophobicContact CG-CB 4.15Å; P135-M205 HydrophobicContact CB-CB 4.25Å; P135-M205 HydrophobicContact CB-SD 3.89Å; P135-I206 HydrophobicContact CG-CD1 4.2Å; P135-I206 HydrophobicContact CG-CG1 4.36Å; P135-Q217 WeakPolarHBondContact O-CA 3.49Å; P135-Q217 WeakPolarHBondContact O-CB 3.49Å; P135-I218 PolarHBondContact O-N 2.77Å; P135-L244 HydrophobicContact CG-CB 4.34Å; P135-L244 HydrophobicContact CG-CD1 4.13Å
136	I	95.3	Very high	94.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.6	-173.7	-56.8	149.4	0	0	0	110.2	A134 V138 I218 I220 A239 M242 L244 V246 Q247	A134-I136 PolarHBondContact O-N 3.24Å; A134-I136 VanDerWaalsContact O-N 3.09Å; I136-V138 HydrophobicContact CG2-CG2 4.19Å; I136-I218 CarbonylContact C-O 3.53Å; I136-I218 VanDerWaalsContact CA-O 3.31Å; I136-I218 WeakPolarHBondContact CA-O 3.42Å; I136-I220 HydrophobicContact CG2-CD1 4.07Å; I136-I220 HydrophobicContact CG2-CG1 4.38Å; I136-A239 HydrophobicContact CG2-CB 4.39Å; I136-M242 HydrophobicContact CD1-CE 3.19Å; I136-M242 HydrophobicContact CD1-SD 4.38Å; I136-M242 HydrophobicContact CG1-CE 4.11Å; I136-L244 HydrophobicContact CD1-CB 4.25Å; I136-V246 HydrophobicContact CB-CG1 4.07Å; I136-V246 HydrophobicContact CD1-CG1 4.36Å; I136-V246 HydrophobicContact CG2-CG1 4.16Å; I136-V246 CarbonylContact O-C 3.59Å; I136-V246 WeakPolarHBondContact O-CA 3.37Å; I136-Q247 PolarHBondContact O-N 3.47Å
137	L	96.9	Very high	94.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.1	167.8	-54.6	-179	0	0	0	108.8	L139 I154 P157 Q217 I218 A219 I220 Q247 V249	L137-L139 HydrophobicContact CB-CD1 4.2Å; L137-I154 HydrophobicContact CD1-CD1 4.04Å; L137-P157 HydrophobicContact CD1-CB 4.43Å; L137-Q217 HydrophobicContact CD1-CB 4.41Å; L137-Q217 HydrophobicContact CG-CB 4.17Å; L137-I218 PolarHBondContact N-O 2.71Å; L137-A219 WeakPolarHBondContact O-CA 3.31Å; L137-I220 PolarHBondContact O-N 2.74Å; L137-Q247 WeakPolarHBondContact CA-O 3.46Å; L137-Q247 HydrophobicContact CD2-CB 3.78Å; L137-V249 HydrophobicContact CB-CG2 4.4Å
138	V	97.6	Very high	94.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	108.5	177.2	175.4	0	0	0	0	108.2	I136 I220 P222 F235 A239 F240 V246 Q247 P248 V249 V309 M313	I136-V138 HydrophobicContact CG2-CG2 4.19Å; V138-I220 WeakPolarHBondContact CA-O 3.47Å; V138-P222 HydrophobicContact CG1-CB 4.31Å; V138-P222 HydrophobicContact CG1-CG 3.58Å; V138-F235 HydrophobicContact CG1-CE2 4.35Å; V138-A239 HydrophobicContact CG2-CB 4.12Å; V138-F240 HydrophobicContact CG1-CZ 4.08Å; V138-F240 HydrophobicContact CG2-CE1 4.32Å; V138-F240 HydrophobicContact CG2-CZ 4.27Å; V138-V246 HydrophobicContact CG2-CB 3.79Å; V138-V246 HydrophobicContact CG2-CG1 4.01Å; V138-V246 HydrophobicContact CG2-CG2 4Å; V138-Q247 PolarHBondContact N-O 2.88Å; V138-P248 CarbonylContact O-C 3.51Å; V138-P248 WeakPolarHBondContact O-CA 3.29Å; V138-V249 PolarHBondContact O-N 2.66Å; V138-V309 HydrophobicContact CG1-CG1 4.38Å; V138-M313 HydrophobicContact CG1-CE 4.38Å; V138-M313 HydrophobicContact CG1-SD 4.01Å; V138-M313 VanDerWaalsContact O-CE 3.25Å; V138-M313 WeakPolarHBondContact O-CE 3.35Å
139	L	97.8	Very high	94.2	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.6	-175.2	-59	92	0	0	0	110.6	L137 I154 A219 I220 F221 P222 V249 I251	L137-L139 HydrophobicContact CB-CD1 4.2Å; L139-I154 HydrophobicContact CD2-CD1 3.95Å; L139-A219 HydrophobicContact CD1-CB 3.45Å; L139-A219 VanDerWaalsContact CD1-CB 3.45Å; L139-I220 PolarHBondContact N-O 2.9Å; L139-F221 HydrophobicContact CB-CD1 3.7Å; L139-F221 HydrophobicContact CB-CE1 3.43Å; L139-F221 VanDerWaalsContact CB-CE1 3.43Å; L139-F221 HydrophobicContact CB-CE2 4.33Å; L139-F221 HydrophobicContact CB-CG 4.29Å; L139-F221 HydrophobicContact CB-CZ 3.76Å; L139-F221 HydrophobicContact CD2-CE1 4.43Å; L139-F221 HydrophobicContact CD2-CE2 4.46Å; L139-F221 HydrophobicContact CD2-CZ 3.97Å; L139-F221 HydrophobicContact CG-CE1 4.49Å; L139-F221 HydrophobicContact CG-CZ 4.39Å; L139-F221 WeakPolarHBondContact O-CA 3.39Å; L139-F221 WeakPolarHBondContact O-CD1 3.44Å; L139-P222 WeakPolarHBondContact O-CD 3.44Å; L139-V249 WeakPolarHBondContact CA-O 3.43Å; L139-V249 HydrophobicContact CG-CB 4.27Å; L139-I251 HydrophobicContact CB-CD1 4.37Å; L139-I251 HydrophobicContact CD2-CD1 4.15Å
140	A	98	Very high	94.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	155	172.9	0	0	0	0	0	111.7	L232 F235 V249 C250 I251 M313	A140-L232 HydrophobicContact CB-CD2 4.02Å; A140-F235 HydrophobicContact CB-CE1 4.29Å; A140-F235 HydrophobicContact CB-CZ 3.85Å; A140-V249 PolarHBondContact N-O 2.97Å; A140-V249 VanDerWaalsContact N-O 3.1Å; A140-C250 WeakPolarHBondContact O-CA 3.25Å; A140-I251 PolarHBondContact O-N 2.87Å; A140-M313 HydrophobicContact CB-CE 3.42Å; A140-M313 VanDerWaalsContact CB-CE 3.42Å; A140-M313 HydrophobicContact CB-SD 4.2Å
141	P	97.8	Very high	94.5	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.019	9%	0.091	C	C	.	.			cis	-70.9	157.1	-11.6	31.2	-32.2	0	0	0	111.7	E223 R229 L232 I251	P141-E223 VanDerWaalsContact CA-OE2 3.29Å; P141-E223 WeakPolarHBondContact CA-OE2 3.44Å; P141-R229 HydrophobicContact CB-CB 4.35Å; P141-R229 HydrophobicContact CB-CG 3.98Å; P141-R229 HydrophobicContact CG-CB 3.7Å; P141-R229 HydrophobicContact CG-CG 3.39Å; P141-L232 HydrophobicContact CB-CD2 3.95Å; P141-I251 VanDerWaalsContact CD-O 3.29Å; P141-I251 WeakPolarHBondContact CD-O 3.17Å
142	H	96.2	Very high	94.6	Very high	46 Å²	46	16.2 Å²	16.2	21%	0.213	9%	0.089	C	C	.	.			trans	-86.2	120.9	164	-169.3	25.2	0	0	0	107.2	D147 F221 E223 T225 C226 T227	H142-D147 WeakPolarHBondContact CA-OD2 3.49Å; H142-D147 IonicContact CE1-OD2 2.78Å; H142-D147 IonicContact CG-OD2 2.81Å; H142-D147 IonicContact ND1-OD2 3.72Å; H142-D147 PolarHBondContact ND1-OD2 3.03Å; H142-F221 HydrophobicContact CB-CB 3.88Å; H142-F221 HydrophobicContact CB-CD1 3.4Å; H142-F221 VanDerWaalsContact CB-CD1 3.4Å; H142-F221 HydrophobicContact CB-CE1 4.09Å; H142-F221 HydrophobicContact CB-CG 3.79Å; H142-F221 AromaticContact CG-CD1 3.74Å; H142-F221 AromaticContact CG-CG 3.74Å; H142-F221 AromaticContact ND1-CD1 3.85Å; H142-F221 AromaticContact ND1-CE1 3.94Å; H142-F221 AromaticContact ND1-CG 3.9Å; H142-E223 PolarHBondContact N-OE2 3.33Å; H142-T225 WeakPolarHBondContact CB-O 3.45Å; H142-C226 CarbonylContact O-C 3.28Å; H142-C226 WeakPolarHBondContact O-CA 3.41Å; H142-T227 PolarHBondContact O-N 2.94Å
143	C	94.2	Very high	94.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.			trans	-121.7	-34.3	-170.1	70.9	0	0	0	0	113.6	D147 C226 R229 W253 S261 W262	C143-D147 PolarHBondContact N-OD2 3.17Å; C143-D147 PolarHBondContact SG-OD1 3.02Å; C143-C226 WeakPolarHBondContact O-CB 3.28Å; C143-R229 HydrophobicContact CB-CG 3.66Å; C143-W253 PolarHBondContact SG-NE1 2.82Å; C143-S261 CarbonylContact O-C 3.57Å; C143-S261 WeakPolarHBondContact O-CA 3.22Å; C143-W262 PolarHBondContact O-N 2.89Å
144	S	94.7	Very high	94.7	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.014	8%	0.076	C	C	.	.	S	Bend	trans	-172.8	-170.8	176	68.7	0	0	0	0	113.3	F146 D147 I260	S144-F146 PolarHBondContact O-N 2.88Å; S144-F146 PolarHBondContact OG-N 2.92Å; S144-F146 VanDerWaalsContact OG-N 3.12Å; S144-D147 PolarHBondContact N-OD2 2.91Å; S144-D147 VanDerWaalsContact O-CB 3.3Å; S144-D147 WeakPolarHBondContact O-CB 3.32Å; S144-D147 VanDerWaalsContact O-CG 3.31Å; S144-D147 PolarHBondContact O-N 3.15Å; S144-D147 VanDerWaalsContact O-N 3.15Å; S144-I260 WeakPolarHBondContact CB-O 3.47Å; S144-I260 PolarHBondContact OG-O 3Å
145	F	91.9	Very high	94.3	Very high	67 Å²	67	17.2 Å²	17.2	29%	0.294	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	-61.4	-21	169.4	58.6	-88.2	0	0	0	113.4	D147 A148 W262 V269 I273	F145-D147 PolarHBondContact O-N 3.49Å; F145-A148 VanDerWaalsContact O-CB 3.3Å; F145-A148 WeakPolarHBondContact O-CB 3.45Å; F145-A148 PolarHBondContact O-N 2.8Å; F145-W262 HydrophobicContact CD1-CE3 4.19Å; F145-W262 HydrophobicContact CE1-CB 4.5Å; F145-V269 HydrophobicContact CD1-CG2 3.87Å; F145-V269 HydrophobicContact CE1-CG2 3.57Å; F145-V269 HydrophobicContact CZ-CG2 4.18Å; F145-I273 HydrophobicContact CE2-CD1 4.11Å; F145-I273 HydrophobicContact CE2-CG1 3.61Å; F145-I273 HydrophobicContact CZ-CD1 4.13Å; F145-I273 HydrophobicContact CZ-CG1 3.47Å; F145-I273 VanDerWaalsContact CZ-CG1 3.47Å
146	F	95.8	Very high	93.9	Very high	8 Å²	8	17.6 Å²	17.6	4%	0.035	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-69.5	-12.8	173.9	-71.1	-61.6	0	0	0	113.3	H114 V117 F119 S144 A148 L149 P150 W253 I260 A276	H114-F146 AromaticContact CD2-CD1 3.75Å; H114-F146 AromaticContact NE2-CD1 3.87Å; V117-F146 HydrophobicContact CG1-CE1 4.39Å; F119-F146 AromaticContact CE2-CD1 3.58Å; F119-F146 HydrophobicContact CE2-CD1 3.58Å; F119-F146 AromaticContact CE2-CE1 3.71Å; F119-F146 HydrophobicContact CE2-CE1 3.71Å; F119-F146 HydrophobicContact CE2-CG 4.25Å; F119-F146 HydrophobicContact CE2-CZ 4.46Å; F119-F146 HydrophobicContact CZ-CB 4.3Å; F119-F146 AromaticContact CZ-CD1 3.78Å; F119-F146 HydrophobicContact CZ-CD1 3.78Å; F119-F146 HydrophobicContact CZ-CD2 4.49Å; F119-F146 HydrophobicContact CZ-CE1 4.15Å; F119-F146 AromaticContact CZ-CG 3.96Å; F119-F146 HydrophobicContact CZ-CG 3.96Å; S144-F146 PolarHBondContact O-N 2.88Å; S144-F146 PolarHBondContact OG-N 2.92Å; S144-F146 VanDerWaalsContact OG-N 3.12Å; F146-A148 PolarHBondContact O-N 3.11Å; F146-L149 WeakPolarHBondContact O-CB 3.33Å; F146-L149 PolarHBondContact O-N 3.27Å; F146-P150 WeakPolarHBondContact O-CD 3.42Å; F146-W253 HydrophobicContact CB-CH2 4.2Å; F146-W253 WeakPolarHBondContact O-CH2 3.42Å; F146-I260 HydrophobicContact CB-CG2 4.08Å; F146-I260 HydrophobicContact CD2-CD1 4Å; F146-I260 HydrophobicContact CD2-CG2 4.16Å; F146-I260 HydrophobicContact CE2-CD1 4.31Å; F146-I260 HydrophobicContact CG-CD1 4.5Å; F146-A276 HydrophobicContact CE2-CB 4.02Å; F146-A276 HydrophobicContact CZ-CB 3.63Å
147	D	95	Very high	93.4	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.027	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-60.2	-13.8	169.8	-67	-30	0	0	0	112.4	H142 C143 S144 F145 L149 P150 F151 F221	H142-D147 WeakPolarHBondContact CA-OD2 3.49Å; H142-D147 IonicContact CE1-OD2 2.78Å; H142-D147 IonicContact CG-OD2 2.81Å; H142-D147 IonicContact ND1-OD2 3.72Å; H142-D147 PolarHBondContact ND1-OD2 3.03Å; C143-D147 PolarHBondContact N-OD2 3.17Å; C143-D147 PolarHBondContact SG-OD1 3.02Å; S144-D147 PolarHBondContact N-OD2 2.91Å; S144-D147 VanDerWaalsContact O-CB 3.3Å; S144-D147 WeakPolarHBondContact O-CB 3.32Å; S144-D147 VanDerWaalsContact O-CG 3.31Å; S144-D147 PolarHBondContact O-N 3.15Å; S144-D147 VanDerWaalsContact O-N 3.15Å; F145-D147 PolarHBondContact O-N 3.49Å; D147-L149 PolarHBondContact O-N 2.74Å; D147-P150 VanDerWaalsContact O-CD 3.28Å; D147-P150 WeakPolarHBondContact O-CD 3.41Å; D147-P150 WeakPolarHBondContact O-CG 3.27Å; D147-F151 WeakPolarHBondContact O-CB 3.37Å; D147-F151 PolarHBondContact O-N 2.68Å; D147-F221 HydrophobicContact CB-CZ 3.91Å
148	A	93.6	Very high	93	Very high	37 Å²	37	17.6 Å²	17.6	31%	0.306	9%	0.093	S	C	.	.	H	α-helix	trans	-56.3	-33.4	167.6	0	0	0	0	0	113	F145 F146 C152	F145-A148 VanDerWaalsContact O-CB 3.3Å; F145-A148 WeakPolarHBondContact O-CB 3.45Å; F145-A148 PolarHBondContact O-N 2.8Å; F146-A148 PolarHBondContact O-N 3.11Å; A148-C152 WeakPolarHBondContact O-CB 3.38Å; A148-C152 PolarHBondContact O-N 3.23Å; A148-C152 PolarHBondContact O-SG 3.14Å
149	L	94.9	Very high	92.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.8	-63	176.6	171.7	60.1	0	0	0	112.1	V111 H114 M115 F119 V122 F146 D147 F151 C152 W153 W253 V284	V111-L149 HydrophobicContact CB-CD1 4.4Å; V111-L149 HydrophobicContact CG1-CD1 4.15Å; V111-L149 HydrophobicContact CG2-CD1 4.17Å; H114-L149 HydrophobicContact CB-CB 4.26Å; H114-L149 HydrophobicContact CB-CD1 4Å; H114-L149 HydrophobicContact CB-CD2 4.1Å; H114-L149 HydrophobicContact CB-CG 4.34Å; M115-L149 HydrophobicContact CE-CD1 4.38Å; F119-L149 HydrophobicContact CB-CD2 3.73Å; F119-L149 HydrophobicContact CD1-CD2 3.87Å; F119-L149 HydrophobicContact CD2-CD2 4.27Å; F119-L149 HydrophobicContact CG-CD2 3.7Å; V122-L149 HydrophobicContact CG2-CD1 4.32Å; V122-L149 HydrophobicContact CG2-CD2 4.24Å; V122-L149 HydrophobicContact CG2-CG 4.48Å; F146-L149 WeakPolarHBondContact O-CB 3.33Å; F146-L149 PolarHBondContact O-N 3.27Å; D147-L149 PolarHBondContact O-N 2.74Å; L149-F151 PolarHBondContact O-N 3.41Å; L149-C152 PolarHBondContact O-N 3.27Å; L149-W153 HydrophobicContact CD1-CE3 4.44Å; L149-W153 VanDerWaalsContact O-CB 3.31Å; L149-W153 WeakPolarHBondContact O-CB 3.34Å; L149-W153 PolarHBondContact O-N 3.44Å; L149-W253 HydrophobicContact CD2-CZ3 4.39Å; L149-V284 HydrophobicContact CD2-CG1 3.9Å
150	P	95.3	Very high	91.7	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.013	11%	0.112	C	C	.	.	H	α-helix	trans	-59.6	-35.9	178	22.5	-32.5	0	0	0	111.5	F146 D147 C152 W153 I154 I251 W253 I286	F146-P150 WeakPolarHBondContact O-CD 3.42Å; D147-P150 VanDerWaalsContact O-CD 3.28Å; D147-P150 WeakPolarHBondContact O-CD 3.41Å; D147-P150 WeakPolarHBondContact O-CG 3.27Å; P150-C152 PolarHBondContact O-N 3.03Å; P150-W153 PolarHBondContact O-N 2.92Å; P150-I154 WeakPolarHBondContact O-CG1 3.34Å; P150-I154 WeakPolarHBondContact O-CG2 3.19Å; P150-I154 PolarHBondContact O-N 3.11Å; P150-I251 HydrophobicContact CB-CD1 4.11Å; P150-I251 HydrophobicContact CB-CG1 4.39Å; P150-I251 HydrophobicContact CB-CG2 4.43Å; P150-I251 HydrophobicContact CG-CD1 3.84Å; P150-I251 HydrophobicContact CG-CG1 4.46Å; P150-I251 HydrophobicContact CG-CG2 4.09Å; P150-W253 HydrophobicContact CG-CH2 4.26Å; P150-W253 HydrophobicContact CG-CZ2 4.04Å; P150-I286 HydrophobicContact CB-CD1 3.57Å; P150-I286 HydrophobicContact CB-CG1 3.85Å
151	F	93.1	Very high	90.8	Very high	19 Å²	19	21.3 Å²	21.3	8%	0.083	12%	0.119	C	C	.	.	H	α-helix	trans	-60.7	-44	175.8	-175.8	-87	0	0	0	113.6	D147 L149 I154 V156 P157 V159 T178 A219	D147-F151 WeakPolarHBondContact O-CB 3.37Å; D147-F151 PolarHBondContact O-N 2.68Å; L149-F151 PolarHBondContact O-N 3.41Å; F151-I154 VanDerWaalsContact O-CG1 3.25Å; F151-I154 WeakPolarHBondContact O-CG1 3.38Å; F151-V156 HydrophobicContact CE1-CG1 4.03Å; F151-V156 PolarHBondContact O-N 3.22Å; F151-P157 HydrophobicContact CD2-CG 4.06Å; F151-P157 HydrophobicContact CE2-CG 3.72Å; F151-P157 HydrophobicContact CZ-CG 4.05Å; F151-P157 WeakPolarHBondContact CZ-O 3.41Å; F151-P157 WeakPolarHBondContact O-CD 3.34Å; F151-V159 HydrophobicContact CE2-CB 4.03Å; F151-V159 HydrophobicContact CE2-CG2 4.22Å; F151-V159 HydrophobicContact CZ-CB 3.86Å; F151-V159 HydrophobicContact CZ-CG2 4.47Å; F151-T178 HydrophobicContact CE1-CG2 3.95Å; F151-T178 HydrophobicContact CZ-CG2 4.25Å; F151-A219 HydrophobicContact CD2-CB 4.27Å; F151-A219 HydrophobicContact CE2-CB 3.79Å
152	C	91.4	Very high	89.8	Confident	13 Å²	13	23.5 Å²	23.5	9%	0.088	13%	0.128	C	C	.	.	H	α-helix	trans	-71.3	-40.3	175.8	-67.1	0	0	0	0	111.1	A107 V111 A148 L149 P150 I154 G155	A107-C152 HydrophobicContact CB-CB 4.27Å; V111-C152 HydrophobicContact CG2-CB 3.81Å; A148-C152 WeakPolarHBondContact O-CB 3.38Å; A148-C152 PolarHBondContact O-N 3.23Å; A148-C152 PolarHBondContact O-SG 3.14Å; L149-C152 PolarHBondContact O-N 3.27Å; P150-C152 PolarHBondContact O-N 3.03Å; C152-I154 VanDerWaalsContact C-N 3.32Å; C152-I154 PolarHBondContact O-N 2.72Å; C152-G155 PolarHBondContact O-N 3.46Å
153	W	91.6	Very high	88.7	Confident	114 Å²	114	26.9 Å²	26.9	43%	0.432	14%	0.142	S	C	.	.	H	α-helix	trans	-60.9	-38.4	-179.6	-165.7	-82.8	0	0	0	113	V111 M115 V122 L149 P150 G155 I286	V111-W153 HydrophobicContact CG1-CE3 3.61Å; V111-W153 HydrophobicContact CG1-CZ3 3.57Å; V111-W153 HydrophobicContact CG2-CE3 4.2Å; M115-W153 HydrophobicContact CE-CE3 4.42Å; M115-W153 HydrophobicContact CE-CH2 4.49Å; M115-W153 HydrophobicContact CE-CZ3 3.74Å; V122-W153 HydrophobicContact CB-CD2 4.07Å; V122-W153 HydrophobicContact CB-CE3 4.14Å; V122-W153 HydrophobicContact CB-CH2 3.98Å; V122-W153 HydrophobicContact CB-CZ2 3.89Å; V122-W153 HydrophobicContact CB-CZ3 4.1Å; V122-W153 HydrophobicContact CG1-CD2 3.6Å; V122-W153 HydrophobicContact CG1-CE3 4.14Å; V122-W153 HydrophobicContact CG1-CG 3.87Å; V122-W153 HydrophobicContact CG1-CH2 4.47Å; V122-W153 HydrophobicContact CG1-CZ2 3.97Å; V122-W153 HydrophobicContact CG2-CD2 4.18Å; V122-W153 HydrophobicContact CG2-CE3 3.83Å; V122-W153 HydrophobicContact CG2-CH2 4.22Å; V122-W153 HydrophobicContact CG2-CZ3 3.86Å; L149-W153 HydrophobicContact CD1-CE3 4.44Å; L149-W153 VanDerWaalsContact O-CB 3.31Å; L149-W153 WeakPolarHBondContact O-CB 3.34Å; L149-W153 PolarHBondContact O-N 3.44Å; P150-W153 PolarHBondContact O-N 2.92Å; W153-G155 PolarHBondContact O-N 3.42Å; W153-I286 HydrophobicContact CB-CD1 4.11Å; W153-I286 HydrophobicContact CG-CD1 4.16Å
154	I	89.9	Confident	87.7	Confident	14 Å²	14	28.7 Å²	28.7	7%	0.072	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-11.6	178.1	64	178.9	0	0	0	112.9	R128 L137 L139 P150 F151 C152 P157 I286 F288	R128-I154 PolarHBondContact NH1-O 3.31Å; L137-I154 HydrophobicContact CD1-CD1 4.04Å; L139-I154 HydrophobicContact CD2-CD1 3.95Å; P150-I154 WeakPolarHBondContact O-CG1 3.34Å; P150-I154 WeakPolarHBondContact O-CG2 3.19Å; P150-I154 PolarHBondContact O-N 3.11Å; F151-I154 VanDerWaalsContact O-CG1 3.25Å; F151-I154 WeakPolarHBondContact O-CG1 3.38Å; C152-I154 VanDerWaalsContact C-N 3.32Å; C152-I154 PolarHBondContact O-N 2.72Å; I154-P157 HydrophobicContact CD1-CG 3.76Å; I154-P157 HydrophobicContact CG1-CG 4.13Å; I154-I286 HydrophobicContact CG2-CD1 4.34Å; I154-I286 HydrophobicContact CG2-CG2 4.09Å; I154-F288 HydrophobicContact CB-CZ 4.08Å; I154-F288 HydrophobicContact CG2-CE1 4.2Å; I154-F288 HydrophobicContact CG2-CE2 4.26Å; I154-F288 HydrophobicContact CG2-CZ 3.46Å; I154-F288 VanDerWaalsContact CG2-CZ 3.46Å
155	G	85.4	Confident	86.7	Confident	30 Å²	30	30.7 Å²	30.7	31%	0.309	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.7	37.6	176.7	0	0	0	0	0	114.6	C152 W153	C152-G155 PolarHBondContact O-N 3.46Å; W153-G155 PolarHBondContact O-N 3.42Å
156	V	85.1	Confident	85.8	Confident	8 Å²	8	29.8 Å²	29.8	5%	0.048	17%	0.165	C	C	.	.			trans	46.9	63.4	171.4	-163	0	0	0	0	113.4	R103 A107 F151 T178	R103-V156 HydrophobicContact CG-CB 4.49Å; R103-V156 HydrophobicContact CG-CG1 4.24Å; A107-V156 HydrophobicContact CB-CG2 3.28Å; F151-V156 HydrophobicContact CE1-CG1 4.03Å; F151-V156 PolarHBondContact O-N 3.22Å; V156-T178 HydrophobicContact CG1-CG2 3.69Å
157	P	86.6	Confident	84.8	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-60.6	168.6	171.9	26.8	-33.5	0	0	0	111.2	L137 F151 I154 V159 Q217 A219	L137-P157 HydrophobicContact CD1-CB 4.43Å; F151-P157 HydrophobicContact CD2-CG 4.06Å; F151-P157 HydrophobicContact CE2-CG 3.72Å; F151-P157 HydrophobicContact CZ-CG 4.05Å; F151-P157 WeakPolarHBondContact CZ-O 3.41Å; F151-P157 WeakPolarHBondContact O-CD 3.34Å; I154-P157 HydrophobicContact CD1-CG 3.76Å; I154-P157 HydrophobicContact CG1-CG 4.13Å; P157-V159 PolarHBondContact O-N 3.25Å; P157-Q217 CarbonylContact C-O 3.51Å; P157-Q217 VanDerWaalsContact CA-O 3.3Å; P157-Q217 WeakPolarHBondContact CA-O 3.36Å; P157-Q217 WeakPolarHBondContact CB-O 3.26Å; P157-A219 HydrophobicContact CB-CB 3.66Å; P157-A219 HydrophobicContact CG-CB 3.33Å
158	S	86.8	Confident	84	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	123.9	172.1	-178.7	0	0	0	0	110.7	T178 V179 R201 Q217 I218 A219	S158-T178 WeakPolarHBondContact CA-O 3.27Å; S158-V179 PolarHBondContact OG-O 2.9Å; S158-R201 VanDerWaalsContact CB-CZ 3.49Å; S158-R201 VanDerWaalsContact OG-CZ 3.25Å; S158-R201 PolarHBondContact OG-NH1 2.8Å; S158-R201 PolarHBondContact OG-NH2 2.9Å; S158-Q217 PolarHBondContact N-O 3.08Å; S158-I218 CarbonylContact O-C 3.49Å; S158-I218 WeakPolarHBondContact O-CA 3.47Å; S158-A219 PolarHBondContact O-N 2.92Å
159	V	85.9	Confident	83	Confident	22 Å²	22	43 Å²	43	13%	0.133	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	144.2	176.4	75	0	0	0	0	111.6	F151 P157 L175 P180 I181	F151-V159 HydrophobicContact CE2-CB 4.03Å; F151-V159 HydrophobicContact CE2-CG2 4.22Å; F151-V159 HydrophobicContact CZ-CB 3.86Å; F151-V159 HydrophobicContact CZ-CG2 4.47Å; P157-V159 PolarHBondContact O-N 3.25Å; V159-L175 HydrophobicContact CG1-CD2 4.03Å; V159-P180 HydrophobicContact CG1-CB 3.81Å; V159-P180 WeakPolarHBondContact O-CA 3.19Å; V159-I181 PolarHBondContact O-N 2.94Å
160	V	82.4	Confident	82.3	Confident	44 Å²	44	46.3 Å²	46.3	27%	0.267	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	112.8	161.1	-176.4	0	0	0	0	108.2	I181 V183 L198 I218 A219 I220	V160-I181 WeakPolarHBondContact CA-O 3.42Å; V160-I181 HydrophobicContact CG2-CB 4.35Å; V160-V183 HydrophobicContact CG1-CG2 3.79Å; V160-L198 HydrophobicContact CG2-CD1 4.26Å; V160-I218 HydrophobicContact CG2-CG2 3.59Å; V160-A219 PolarHBondContact N-O 2.79Å; V160-I220 HydrophobicContact CB-CG1 4.27Å; V160-I220 HydrophobicContact CG2-CD1 4.07Å; V160-I220 HydrophobicContact CG2-CG1 3.78Å
161	G	79.8	Confident	81.6	Confident	14 Å²	14	48.9 Å²	48.9	14%	0.144	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	164.8	-168.5	0	0	0	0	0	113.9	K163 I181 F182 V183	G161-K163 PolarHBondContact O-N 2.97Å; G161-I181 PolarHBondContact N-O 3.25Å; G161-I181 VanDerWaalsContact N-O 3.13Å; G161-F182 WeakPolarHBondContact O-CA 3.28Å; G161-V183 PolarHBondContact O-N 2.82Å
162	K	76.7	Confident	81	Confident	49 Å²	49	48 Å²	48	21%	0.213	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	133.1	175.6	-171.7	-179.1	173.7	-163.3	0	110.4	S164 L165 C543	K162-S164 WeakPolarHBondContact CD-OG 3.25Å; K162-S164 WeakPolarHBondContact CE-OG 3.37Å; K162-S164 WeakPolarHBondContact CG-OG 3.37Å; K162-S164 PolarHBondContact NZ-OG 3.15Å; K162-S164 PolarHBondContact O-N 3.37Å; K162-S164 VanDerWaalsContact O-N 3.09Å; K162-L165 HydrophobicContact CB-CD1 4.4Å; K162-L165 HydrophobicContact CB-CG 4.43Å; K162-L165 WeakPolarHBondContact O-CB 3.15Å; K162-L165 PolarHBondContact O-N 3.11Å; K162-C543 WeakPolarHBondContact CD-OXT 3.35Å; K162-C543 PolarHBondContact NZ-O 3.06Å; K162-C543 PolarHBondContact NZ-OXT 2.86Å
163	K	73.3	Confident	80.5	Confident	116 Å²	116	52.4 Å²	52.4	50%	0.504	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-55.7	-28.8	179.5	-169.9	175.6	-178.2	178.7	0	114.1	G161 L165 V166 F182 V183 D184	G161-K163 PolarHBondContact O-N 2.97Å; K163-L165 PolarHBondContact O-N 3.46Å; K163-V166 WeakPolarHBondContact O-CB 3.32Å; K163-V166 WeakPolarHBondContact O-CG2 3.35Å; K163-V166 PolarHBondContact O-N 2.89Å; K163-F182 HydrophobicContact CB-CB 4.14Å; K163-F182 HydrophobicContact CG-CB 4.28Å; K163-V183 PolarHBondContact N-O 2.9Å; K163-D184 HydrophobicContact CD-CB 4.45Å
164	S	72.3	Confident	80.2	Confident	38 Å²	38	48.2 Å²	48.2	27%	0.266	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-66.4	-23.3	177.9	60.6	0	0	0	0	114	K162 V166 K167	K162-S164 WeakPolarHBondContact CD-OG 3.25Å; K162-S164 WeakPolarHBondContact CE-OG 3.37Å; K162-S164 WeakPolarHBondContact CG-OG 3.37Å; K162-S164 PolarHBondContact NZ-OG 3.15Å; K162-S164 PolarHBondContact O-N 3.37Å; K162-S164 VanDerWaalsContact O-N 3.09Å; S164-V166 PolarHBondContact O-N 3.43Å; S164-K167 PolarHBondContact O-N 2.84Å; S164-K167 VanDerWaalsContact O-N 3.14Å
165	L	74.5	Confident	79.7	Confident	45 Å²	45	49 Å²	49	24%	0.236	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-65.3	-28.3	179.2	-68.5	171.4	0	0	0	112.2	K162 K163 K167 T168 G172 L175 A542	K162-L165 HydrophobicContact CB-CD1 4.4Å; K162-L165 HydrophobicContact CB-CG 4.43Å; K162-L165 WeakPolarHBondContact O-CB 3.15Å; K162-L165 PolarHBondContact O-N 3.11Å; K163-L165 PolarHBondContact O-N 3.46Å; L165-K167 PolarHBondContact O-N 3.03Å; L165-T168 WeakPolarHBondContact O-CB 3.04Å; L165-T168 PolarHBondContact O-N 2.95Å; L165-G172 WeakPolarHBondContact O-CA 3.14Å; L165-L175 HydrophobicContact CB-CD1 3.78Å; L165-L175 HydrophobicContact CD1-CD1 4.2Å; L165-A542 VanDerWaalsContact CD2-O 3.26Å; L165-A542 WeakPolarHBondContact CD2-O 3.48Å
166	V	72.8	Confident	79.4	Confident	48 Å²	48	50.1 Å²	50.1	29%	0.291	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-57.7	-34.8	174.5	-174.8	0	0	0	0	112.1	K163 S164 T168 F182	K163-V166 WeakPolarHBondContact O-CB 3.32Å; K163-V166 WeakPolarHBondContact O-CG2 3.35Å; K163-V166 PolarHBondContact O-N 2.89Å; S164-V166 PolarHBondContact O-N 3.43Å; V166-T168 VanDerWaalsContact C-N 3.27Å; V166-T168 PolarHBondContact O-N 3.32Å; V166-F182 HydrophobicContact CB-CZ 4.43Å; V166-F182 HydrophobicContact CG2-CD1 3.6Å; V166-F182 HydrophobicContact CG2-CD2 3.56Å; V166-F182 HydrophobicContact CG2-CE1 3.29Å; V166-F182 HydrophobicContact CG2-CE2 3.21Å; V166-F182 HydrophobicContact CG2-CG 3.74Å; V166-F182 HydrophobicContact CG2-CZ 3.09Å
167	K	74.6	Confident	79	Confident	180 Å²	180	50 Å²	50	78%	0.783	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-81.1	-9.4	-178.2	-60.3	-174.6	177.5	-174.3	0	112.7	S164 L165 P169	S164-K167 PolarHBondContact O-N 2.84Å; S164-K167 VanDerWaalsContact O-N 3.14Å; L165-K167 PolarHBondContact O-N 3.03Å; K167-P169 WeakPolarHBondContact O-CD 3.3Å
168	T	77.2	Confident	78.6	Confident	40 Å²	40	50.3 Å²	50.3	25%	0.245	26%	0.259	C	S	.	.	S	Bend	trans	-80.6	121.2	-179.2	-54.5	0	0	0	0	108.7	L165 V166 V171 G172	L165-T168 WeakPolarHBondContact O-CB 3.04Å; L165-T168 PolarHBondContact O-N 2.95Å; V166-T168 VanDerWaalsContact C-N 3.27Å; V166-T168 PolarHBondContact O-N 3.32Å; T168-V171 HydrophobicContact CG2-CB 4.14Å; T168-V171 HydrophobicContact CG2-CG2 4.17Å; T168-G172 PolarHBondContact O-N 2.6Å
169	P	74.4	Confident	78.2	Confident	106 Å²	106	51.5 Å²	51.5	69%	0.688	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	152.7	173.1	-24.1	34.4	0	0	0	111	K167 V171	K167-P169 WeakPolarHBondContact O-CD 3.3Å; P169-V171 PolarHBondContact O-N 2.96Å
170	F	79.4	Confident	78	Confident	71 Å²	71	51 Å²	51	31%	0.311	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	-65.2	-172.8	-173.2	-95.3	0	0	0	114.1	L53 Y57 G172 R173 L174	L53-F170 HydrophobicContact CB-CE2 4.11Å; L53-F170 HydrophobicContact CB-CZ 3.9Å; L53-F170 HydrophobicContact CD1-CZ 4.35Å; L53-F170 HydrophobicContact CD2-CZ 4.03Å; L53-F170 HydrophobicContact CG-CZ 4.29Å; Y57-F170 HydrophobicContact CD2-CB 4.45Å; Y57-F170 AromaticContact CD2-CD2 3.69Å; Y57-F170 HydrophobicContact CD2-CD2 3.69Å; Y57-F170 HydrophobicContact CD2-CE2 4.38Å; Y57-F170 HydrophobicContact CD2-CG 4.36Å; Y57-F170 HydrophobicContact CE2-CB 4.39Å; Y57-F170 HydrophobicContact CE2-CD2 4.39Å; Y57-F170 AromaticContact CG-CD2 3.76Å; Y57-F170 HydrophobicContact CG-CD2 3.76Å; Y57-F170 HydrophobicContact CG-CE2 4.22Å; F170-G172 PolarHBondContact O-N 3.04Å; F170-R173 PolarHBondContact O-N 3.44Å; F170-L174 HydrophobicContact CD1-CD1 3.99Å; F170-L174 HydrophobicContact CE1-CD1 3.5Å; F170-L174 HydrophobicContact CE2-CD1 4.34Å; F170-L174 HydrophobicContact CZ-CD1 3.7Å; F170-L174 PolarHBondContact O-N 3.41Å
171	V	81.1	Confident	77.9	Confident	55 Å²	55	49.5 Å²	49.5	33%	0.333	25%	0.254	S	S	.	.	H	α-helix	trans	-60.6	-47.6	-176.3	179.5	0	0	0	0	111.6	T168 P169 R173 L174 L175	T168-V171 HydrophobicContact CG2-CB 4.14Å; T168-V171 HydrophobicContact CG2-CG2 4.17Å; P169-V171 PolarHBondContact O-N 2.96Å; V171-R173 VanDerWaalsContact C-N 3.28Å; V171-R173 PolarHBondContact O-N 3.33Å; V171-L174 PolarHBondContact O-N 2.98Å; V171-L175 HydrophobicContact CG1-CD1 3.8Å; V171-L175 HydrophobicContact CG1-CG 4.08Å; V171-L175 WeakPolarHBondContact O-CB 3.45Å; V171-L175 VanDerWaalsContact O-CG 3.29Å; V171-L175 WeakPolarHBondContact O-CG 3.02Å; V171-L175 PolarHBondContact O-N 3.49Å
172	G	80.5	Confident	77.8	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-59.3	-37	-177.9	0	0	0	0	0	113.3	L165 T168 F170 Q176	L165-G172 WeakPolarHBondContact O-CA 3.14Å; T168-G172 PolarHBondContact O-N 2.6Å; F170-G172 PolarHBondContact O-N 3.04Å; G172-Q176 VanDerWaalsContact O-CG 3.32Å; G172-Q176 WeakPolarHBondContact O-CG 3.44Å; G172-Q176 PolarHBondContact O-N 3.15Å; G172-Q176 VanDerWaalsContact O-N 3.11Å
173	R	81.3	Confident	77.9	Confident	106 Å²	106	49.4 Å²	49.4	40%	0.4	25%	0.251	S	S	.	.	H	α-helix	trans	-71.7	-42.6	178.5	-65.4	-58.1	-170.3	170.6	3.8	112.4	Y57 F170 V171 L175 Q176	Y57-R173 HydrophobicContact CD2-CB 4.42Å; Y57-R173 HydrophobicContact CE2-CB 3.97Å; Y57-R173 HydrophobicContact CE2-CG 3.89Å; F170-R173 PolarHBondContact O-N 3.44Å; V171-R173 VanDerWaalsContact C-N 3.28Å; V171-R173 PolarHBondContact O-N 3.33Å; R173-L175 VanDerWaalsContact C-N 3.31Å; R173-L175 PolarHBondContact O-N 3.27Å; R173-Q176 PolarHBondContact O-N 3.03Å
174	L	83.6	Confident	78.1	Confident	25 Å²	25	46.4 Å²	46.4	13%	0.131	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-41.4	174.8	-65.1	177.4	0	0	0	111.1	A60 V106 I110 F170 V171 Q176 L177	A60-L174 HydrophobicContact CB-CD2 3.95Å; V106-L174 HydrophobicContact CG1-CD2 3.74Å; I110-L174 HydrophobicContact CD1-CD1 4.26Å; I110-L174 HydrophobicContact CD1-CD2 4.34Å; F170-L174 HydrophobicContact CD1-CD1 3.99Å; F170-L174 HydrophobicContact CE1-CD1 3.5Å; F170-L174 HydrophobicContact CE2-CD1 4.34Å; F170-L174 HydrophobicContact CZ-CD1 3.7Å; F170-L174 PolarHBondContact O-N 3.41Å; V171-L174 PolarHBondContact O-N 2.98Å; L174-Q176 VanDerWaalsContact C-N 3.32Å; L174-Q176 PolarHBondContact O-N 3.16Å; L174-L177 WeakPolarHBondContact O-CB 3.45Å; L174-L177 PolarHBondContact O-N 3.31Å
175	L	80.5	Confident	78.2	Confident	31 Å²	31	49.5 Å²	49.5	16%	0.162	25%	0.247	C	C	.	.	H	α-helix	trans	-64.1	-35	178	-71.3	-176.6	0	0	0	112.7	V159 L165 V171 R173 L177 T178 P180	V159-L175 HydrophobicContact CG1-CD2 4.03Å; L165-L175 HydrophobicContact CB-CD1 3.78Å; L165-L175 HydrophobicContact CD1-CD1 4.2Å; V171-L175 HydrophobicContact CG1-CD1 3.8Å; V171-L175 HydrophobicContact CG1-CG 4.08Å; V171-L175 WeakPolarHBondContact O-CB 3.45Å; V171-L175 VanDerWaalsContact O-CG 3.29Å; V171-L175 WeakPolarHBondContact O-CG 3.02Å; V171-L175 PolarHBondContact O-N 3.49Å; R173-L175 VanDerWaalsContact C-N 3.31Å; R173-L175 PolarHBondContact O-N 3.27Å; L175-L177 PolarHBondContact O-N 3.29Å; L175-T178 WeakPolarHBondContact O-CB 2.89Å; L175-T178 PolarHBondContact O-N 3.12Å; L175-T178 PolarHBondContact O-OG1 3.2Å; L175-P180 VanDerWaalsContact O-CD 3.28Å; L175-P180 WeakPolarHBondContact O-CD 3.49Å; L175-P180 WeakPolarHBondContact O-CG 3.4Å
176	Q	78.7	Confident	78.2	Confident	54 Å²	54	52.4 Å²	52.4	25%	0.252	27%	0.271	S	S	.	.	H	α-helix	trans	-57.6	-34.6	176.5	-79	170	-11.7	0	0	112.4	G172 R173 L174 T178 V179	G172-Q176 VanDerWaalsContact O-CG 3.32Å; G172-Q176 WeakPolarHBondContact O-CG 3.44Å; G172-Q176 PolarHBondContact O-N 3.15Å; G172-Q176 VanDerWaalsContact O-N 3.11Å; R173-Q176 PolarHBondContact O-N 3.03Å; L174-Q176 VanDerWaalsContact C-N 3.32Å; L174-Q176 PolarHBondContact O-N 3.16Å; Q176-T178 PolarHBondContact O-N 3.29Å; Q176-T178 VanDerWaalsContact O-N 3.17Å; Q176-V179 PolarHBondContact O-N 2.8Å; Q176-V179 VanDerWaalsContact O-N 3.15Å
177	L	77.5	Confident	78.6	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.021	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.8	177.2	-59.5	177.5	0	0	0	113.7	A60 T63 F99 R103 V106 L174 L175 V179	A60-L177 HydrophobicContact CB-CD1 3.75Å; A60-L177 HydrophobicContact CB-CG 4.42Å; T63-L177 HydrophobicContact CG2-CD2 3.86Å; F99-L177 HydrophobicContact CE2-CD2 3.91Å; F99-L177 WeakPolarHBondContact CZ-O 3.35Å; R103-L177 WeakPolarHBondContact CD-O 3.36Å; R103-L177 HydrophobicContact CG-CB 4.36Å; V106-L177 HydrophobicContact CB-CD1 4.03Å; V106-L177 HydrophobicContact CG1-CD1 3.78Å; V106-L177 HydrophobicContact CG2-CD1 3.98Å; L174-L177 WeakPolarHBondContact O-CB 3.45Å; L174-L177 PolarHBondContact O-N 3.31Å; L175-L177 PolarHBondContact O-N 3.29Å; L177-V179 VanDerWaalsContact C-N 3.29Å
178	T	78.3	Confident	78.9	Confident	8 Å²	8	50 Å²	50	5%	0.049	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.2	178.8	75.3	0	0	0	0	113.1	F151 V156 S158 L175 Q176	F151-T178 HydrophobicContact CE1-CG2 3.95Å; F151-T178 HydrophobicContact CZ-CG2 4.25Å; V156-T178 HydrophobicContact CG1-CG2 3.69Å; S158-T178 WeakPolarHBondContact CA-O 3.27Å; L175-T178 WeakPolarHBondContact O-CB 2.89Å; L175-T178 PolarHBondContact O-N 3.12Å; L175-T178 PolarHBondContact O-OG1 3.2Å; Q176-T178 PolarHBondContact O-N 3.29Å; Q176-T178 VanDerWaalsContact O-N 3.17Å
179	V	78.4	Confident	79.2	Confident	25 Å²	25	53.9 Å²	53.9	15%	0.152	28%	0.28	C	S	.	.			trans	52.8	60.6	-167.8	-166.3	0	0	0	0	110.3	F99 S158 Q176 L177 R201	F99-V179 HydrophobicContact CE1-CG2 4.31Å; S158-V179 PolarHBondContact OG-O 2.9Å; Q176-V179 PolarHBondContact O-N 2.8Å; Q176-V179 VanDerWaalsContact O-N 3.15Å; L177-V179 VanDerWaalsContact C-N 3.29Å; V179-R201 PolarHBondContact O-NH1 3.19Å
180	P	80	Confident	79.6	Confident	12 Å²	12	49.9 Å²	49.9	8%	0.078	26%	0.255	C	S	.	.			trans	-72.2	154.9	-166.6	30.3	-36.1	0	0	0	113.1	V159 L175 F182	V159-P180 HydrophobicContact CG1-CB 3.81Å; V159-P180 WeakPolarHBondContact O-CA 3.19Å; L175-P180 VanDerWaalsContact O-CD 3.28Å; L175-P180 WeakPolarHBondContact O-CD 3.49Å; L175-P180 WeakPolarHBondContact O-CG 3.4Å; P180-F182 HydrophobicContact CB-CD2 4.47Å; P180-F182 HydrophobicContact CB-CE1 3.86Å; P180-F182 HydrophobicContact CB-CE2 3.85Å; P180-F182 HydrophobicContact CB-CZ 3.47Å; P180-F182 VanDerWaalsContact CB-CZ 3.47Å; P180-F182 HydrophobicContact CG-CD2 4.14Å; P180-F182 HydrophobicContact CG-CE1 4Å; P180-F182 HydrophobicContact CG-CE2 3.2Å; P180-F182 HydrophobicContact CG-CZ 3.08Å
181	I	80.4	Confident	79.7	Confident	12 Å²	12	52.5 Å²	52.5	6%	0.062	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	109.5	166.7	-59.3	172.8	0	0	0	107.8	V159 V160 G161 A194 L198	V159-I181 PolarHBondContact O-N 2.94Å; V160-I181 WeakPolarHBondContact CA-O 3.42Å; V160-I181 HydrophobicContact CG2-CB 4.35Å; G161-I181 PolarHBondContact N-O 3.25Å; G161-I181 VanDerWaalsContact N-O 3.13Å; I181-A194 HydrophobicContact CG2-CB 4.15Å; I181-L198 HydrophobicContact CD1-CB 4.25Å; I181-L198 HydrophobicContact CD1-CD1 3.7Å
182	F	77.9	Confident	79.8	Confident	35 Å²	35	54.2 Å²	54.2	15%	0.154	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	137.7	-179	-65.6	-62.1	0	0	0	113	G161 K163 V166 P180	G161-F182 WeakPolarHBondContact O-CA 3.28Å; K163-F182 HydrophobicContact CB-CB 4.14Å; K163-F182 HydrophobicContact CG-CB 4.28Å; V166-F182 HydrophobicContact CB-CZ 4.43Å; V166-F182 HydrophobicContact CG2-CD1 3.6Å; V166-F182 HydrophobicContact CG2-CD2 3.56Å; V166-F182 HydrophobicContact CG2-CE1 3.29Å; V166-F182 HydrophobicContact CG2-CE2 3.21Å; V166-F182 HydrophobicContact CG2-CG 3.74Å; V166-F182 HydrophobicContact CG2-CZ 3.09Å; P180-F182 HydrophobicContact CB-CD2 4.47Å; P180-F182 HydrophobicContact CB-CE1 3.86Å; P180-F182 HydrophobicContact CB-CE2 3.85Å; P180-F182 HydrophobicContact CB-CZ 3.47Å; P180-F182 VanDerWaalsContact CB-CZ 3.47Å; P180-F182 HydrophobicContact CG-CD2 4.14Å; P180-F182 HydrophobicContact CG-CE1 4Å; P180-F182 HydrophobicContact CG-CE2 3.2Å; P180-F182 HydrophobicContact CG-CZ 3.08Å
183	V	78.7	Confident	80	Confident	25 Å²	25	58.3 Å²	58.3	15%	0.152	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127	177.3	-167	0	0	0	0	109.8	V160 G161 K163 R191 A194	V160-V183 HydrophobicContact CG1-CG2 3.79Å; G161-V183 PolarHBondContact O-N 2.82Å; K163-V183 PolarHBondContact N-O 2.9Å; V183-R191 HydrophobicContact CG1-CB 4.47Å; V183-R191 HydrophobicContact CG1-CG 3.71Å; V183-A194 HydrophobicContact CB-CB 4.38Å; V183-A194 HydrophobicContact CG1-CB 4.31Å; V183-A194 HydrophobicContact CG2-CB 3.55Å
184	D	77.9	Confident	80.2	Confident	54 Å²	54	53.6 Å²	53.6	29%	0.289	28%	0.275	S	S	.	.			trans	-84	114.1	162	-166.4	-24.8	0	0	0	109.2	K163 S186 S187 S190	K163-D184 HydrophobicContact CD-CB 4.45Å; D184-S186 VanDerWaalsContact CG-OG 3.3Å; D184-S186 PolarHBondContact O-N 3.24Å; D184-S186 WeakPolarHBondContact OD1-CB 3.26Å; D184-S186 PolarHBondContact OD1-N 3.39Å; D184-S186 PolarHBondContact OD1-OG 2.89Å; D184-S186 PolarHBondContact OD2-OG 3.36Å; D184-S187 PolarHBondContact O-N 3.02Å; D184-S190 WeakPolarHBondContact CB-OG 3.44Å; D184-S190 PolarHBondContact N-OG 3.27Å
185	R	74.4	Confident	80.3	Confident	102 Å²	102	55.1 Å²	55.1	39%	0.385	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-21.8	-178.9	-63.4	179.3	180	-170	-6.3	112.4	G224	R185-G224 PolarHBondContact NH1-O 2.95Å; R185-G224 PolarHBondContact NH2-O 3.31Å
186	S	75.8	Confident	80.5	Confident	106 Å²	106	58.9 Å²	58.9	74%	0.741	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-22	-178.3	69.9	0	0	0	0	113.2	D184	D184-S186 VanDerWaalsContact CG-OG 3.3Å; D184-S186 PolarHBondContact O-N 3.24Å; D184-S186 WeakPolarHBondContact OD1-CB 3.26Å; D184-S186 PolarHBondContact OD1-N 3.39Å; D184-S186 PolarHBondContact OD1-OG 2.89Å; D184-S186 PolarHBondContact OD2-OG 3.36Å
187	S	80.7	Confident	80.9	Confident	36 Å²	36	59.8 Å²	59.8	25%	0.252	30%	0.302	S	S	.	.			trans	-104.1	128	-177.6	170.5	0	0	0	0	111.2	D184 D189 S190 R191	D184-S187 PolarHBondContact O-N 3.02Å; S187-D189 VanDerWaalsContact C-N 3.34Å; S187-D189 PolarHBondContact OG-N 2.77Å; S187-S190 PolarHBondContact OG-N 2.82Å; S187-S190 VanDerWaalsContact OG-N 3.1Å; S187-R191 PolarHBondContact O-N 3.39Å
188	K	81.1	Confident	81.4	Confident	143 Å²	143	59.8 Å²	59.8	62%	0.622	30%	0.302	S	S	*	.	H	α-helix	trans	-65.1	-40.6	171.4	-170.5	179.3	178.2	-176.1	0	110.9	S190 R191 N192	K188-S190 PolarHBondContact O-N 3.12Å; K188-R191 WeakPolarHBondContact O-CB 3.34Å; K188-R191 PolarHBondContact O-N 2.61Å; K188-R191 VanDerWaalsContact O-N 3.16Å; K188-N192 PolarHBondContact O-N 3.33Å
189	D	83.6	Confident	81.8	Confident	120 Å²	120	66 Å²	66	64%	0.642	33%	0.328	S	S	*	.	H	α-helix	trans	-65.3	-41.1	-179.3	-54.1	-37.3	0	0	0	111.8	S187 R191 N192 L193	S187-D189 VanDerWaalsContact C-N 3.34Å; S187-D189 PolarHBondContact OG-N 2.77Å; D189-R191 VanDerWaalsContact C-N 3.26Å; D189-R191 PolarHBondContact O-N 2.91Å; D189-N192 PolarHBondContact O-N 3.37Å; D189-L193 WeakPolarHBondContact O-CB 3.39Å; D189-L193 PolarHBondContact O-N 3.23Å
190	S	81.5	Confident	82.3	Confident	22 Å²	22	69.1 Å²	69.1	15%	0.154	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-33.9	175.4	-175.7	0	0	0	0	112.6	D184 S187 K188 A194	D184-S190 WeakPolarHBondContact CB-OG 3.44Å; D184-S190 PolarHBondContact N-OG 3.27Å; S187-S190 PolarHBondContact OG-N 2.82Å; S187-S190 VanDerWaalsContact OG-N 3.1Å; K188-S190 PolarHBondContact O-N 3.12Å; S190-A194 VanDerWaalsContact O-CB 3.32Å; S190-A194 WeakPolarHBondContact O-CB 3.5Å; S190-A194 PolarHBondContact O-N 3.32Å
191	R	81	Confident	82.6	Confident	127 Å²	127	69.5 Å²	69.5	48%	0.479	34%	0.341	S	S	.	.	H	α-helix	trans	-68.8	-45.1	175.1	-71.9	-176.6	-73.2	163.7	-3.1	111.1	V183 S187 K188 D189 L193 A194 M195	V183-R191 HydrophobicContact CG1-CB 4.47Å; V183-R191 HydrophobicContact CG1-CG 3.71Å; S187-R191 PolarHBondContact O-N 3.39Å; K188-R191 WeakPolarHBondContact O-CB 3.34Å; K188-R191 PolarHBondContact O-N 2.61Å; K188-R191 VanDerWaalsContact O-N 3.16Å; D189-R191 VanDerWaalsContact C-N 3.26Å; D189-R191 PolarHBondContact O-N 2.91Å; R191-L193 PolarHBondContact O-N 2.73Å; R191-A194 PolarHBondContact O-N 3.02Å; R191-M195 VanDerWaalsContact O-CG 3.28Å; R191-M195 WeakPolarHBondContact O-CG 3.45Å; R191-M195 PolarHBondContact O-N 2.86Å
192	N	84.7	Confident	83	Confident	91 Å²	91	68.9 Å²	68.9	49%	0.487	34%	0.338	S	S	.	.	H	α-helix	trans	-61.6	-44.4	177.5	-67.8	-16.2	0	0	0	111.7	K188 D189 A194 M195 Q196	K188-N192 PolarHBondContact O-N 3.33Å; D189-N192 PolarHBondContact O-N 3.37Å; N192-A194 PolarHBondContact O-N 2.62Å; N192-M195 WeakPolarHBondContact O-CB 3.09Å; N192-M195 PolarHBondContact O-N 3.4Å; N192-Q196 PolarHBondContact O-N 3.28Å
193	L	84.7	Confident	83.5	Confident	87 Å²	87	69.4 Å²	69.4	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-62.8	-42.9	176.6	-178.8	63.3	0	0	0	112	D189 R191 M195 Q196 K197	D189-L193 WeakPolarHBondContact O-CB 3.39Å; D189-L193 PolarHBondContact O-N 3.23Å; R191-L193 PolarHBondContact O-N 2.73Å; L193-M195 VanDerWaalsContact C-N 3.32Å; L193-M195 PolarHBondContact O-N 2.91Å; L193-Q196 PolarHBondContact O-N 2.71Å; L193-K197 HydrophobicContact CG-CD 4.49Å; L193-K197 WeakPolarHBondContact O-CG 3.32Å; L193-K197 PolarHBondContact O-N 3.12Å
194	A	85	Confident	83.7	Confident	7 Å²	7	72.5 Å²	72.5	6%	0.058	36%	0.36	C	S	.	.	H	α-helix	trans	-62.2	-41.3	176.2	0	0	0	0	0	112	I181 V183 S190 R191 N192 K197 L198	I181-A194 HydrophobicContact CG2-CB 4.15Å; V183-A194 HydrophobicContact CB-CB 4.38Å; V183-A194 HydrophobicContact CG1-CB 4.31Å; V183-A194 HydrophobicContact CG2-CB 3.55Å; S190-A194 VanDerWaalsContact O-CB 3.32Å; S190-A194 WeakPolarHBondContact O-CB 3.5Å; S190-A194 PolarHBondContact O-N 3.32Å; R191-A194 PolarHBondContact O-N 3.02Å; N192-A194 PolarHBondContact O-N 2.62Å; A194-K197 PolarHBondContact O-N 2.92Å; A194-L198 VanDerWaalsContact O-CB 3.24Å; A194-L198 WeakPolarHBondContact O-CB 3.47Å; A194-L198 PolarHBondContact O-N 3.15Å
195	M	84.9	Confident	84.1	Confident	57 Å²	57	70 Å²	70	28%	0.281	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-41.9	175.1	-71.8	-58.2	-56.7	0	0	112.1	R191 N192 L193 L198 K199 G238 A241 M242	R191-M195 VanDerWaalsContact O-CG 3.28Å; R191-M195 WeakPolarHBondContact O-CG 3.45Å; R191-M195 PolarHBondContact O-N 2.86Å; N192-M195 WeakPolarHBondContact O-CB 3.09Å; N192-M195 PolarHBondContact O-N 3.4Å; L193-M195 VanDerWaalsContact C-N 3.32Å; L193-M195 PolarHBondContact O-N 2.91Å; M195-L198 PolarHBondContact O-N 2.65Å; M195-K199 PolarHBondContact O-N 3.07Å; M195-G238 VanDerWaalsContact CE-O 3.31Å; M195-G238 WeakPolarHBondContact CE-O 3.3Å; M195-A241 HydrophobicContact CE-CB 3.84Å; M195-M242 HydrophobicContact CE-CG 4.16Å
196	Q	86.5	Confident	84.7	Confident	110 Å²	110	67.3 Å²	67.3	51%	0.514	34%	0.34	S	S	.	.	H	α-helix	trans	-62.4	-49.4	175.2	-177.6	-179.1	-7.1	0	0	111.4	N192 L193 L198 K199 E200	N192-Q196 PolarHBondContact O-N 3.28Å; L193-Q196 PolarHBondContact O-N 2.71Å; Q196-L198 VanDerWaalsContact C-N 3.26Å; Q196-L198 PolarHBondContact O-N 2.78Å; Q196-K199 PolarHBondContact O-N 2.9Å; Q196-K199 VanDerWaalsContact O-N 3.17Å; Q196-E200 WeakPolarHBondContact CG-OE1 3.42Å; Q196-E200 PolarHBondContact NE2-OE1 2.82Å; Q196-E200 WeakPolarHBondContact O-CG 3.49Å; Q196-E200 PolarHBondContact O-N 2.79Å
197	K	85.7	Confident	85.1	Confident	72 Å²	72	67 Å²	67	31%	0.313	33%	0.329	S	S	.	.	H	α-helix	trans	-57.8	-40.9	177.1	-74.4	-178.1	178.1	-175.5	0	112	E72 L193 A194 R201	E72-K197 IonicContact OE2-NZ 3.57Å; E72-K197 PolarHBondContact OE2-NZ 2.82Å; L193-K197 HydrophobicContact CG-CD 4.49Å; L193-K197 WeakPolarHBondContact O-CG 3.32Å; L193-K197 PolarHBondContact O-N 3.12Å; A194-K197 PolarHBondContact O-N 2.92Å; K197-R201 VanDerWaalsContact O-CB 3.28Å; K197-R201 WeakPolarHBondContact O-CB 3.46Å; K197-R201 PolarHBondContact O-N 2.85Å
198	L	87.9	Confident	85.2	Confident	5 Å²	5	67 Å²	67	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-63.6	-45.3	178.2	-172.3	65.7	0	0	0	111.2	V160 I181 A194 M195 Q196 R201 A202 I218 I220 M242	V160-L198 HydrophobicContact CG2-CD1 4.26Å; I181-L198 HydrophobicContact CD1-CB 4.25Å; I181-L198 HydrophobicContact CD1-CD1 3.7Å; A194-L198 VanDerWaalsContact O-CB 3.24Å; A194-L198 WeakPolarHBondContact O-CB 3.47Å; A194-L198 PolarHBondContact O-N 3.15Å; M195-L198 PolarHBondContact O-N 2.65Å; Q196-L198 VanDerWaalsContact C-N 3.26Å; Q196-L198 PolarHBondContact O-N 2.78Å; L198-R201 PolarHBondContact O-N 3.34Å; L198-A202 WeakPolarHBondContact O-CB 3.19Å; L198-A202 PolarHBondContact O-N 3.46Å; L198-I218 HydrophobicContact CD1-CB 4.03Å; L198-I218 HydrophobicContact CD1-CD1 3.63Å; L198-I218 HydrophobicContact CD1-CG1 3.78Å; L198-I218 HydrophobicContact CD1-CG2 3.6Å; L198-I220 HydrophobicContact CD1-CD1 4.5Å; L198-I220 HydrophobicContact CD2-CD1 3.98Å; L198-M242 HydrophobicContact CB-SD 4.01Å; L198-M242 HydrophobicContact CD1-CE 4.4Å; L198-M242 HydrophobicContact CD2-CE 3.21Å; L198-M242 HydrophobicContact CD2-SD 3.66Å; L198-M242 HydrophobicContact CG-CE 3.49Å; L198-M242 VanDerWaalsContact CG-CE 3.49Å; L198-M242 HydrophobicContact CG-SD 3.43Å; L198-M242 WeakPolarHBondContact CG-SD 3.29Å
199	K	88	Confident	85	Confident	139 Å²	139	62.4 Å²	62.4	60%	0.604	31%	0.313	S	S	*	.	H	α-helix	trans	-62.2	-47	176.4	-173.7	179	-179.3	-179.4	0	112.1	M195 Q196 R201 A202 A203 M242	M195-K199 PolarHBondContact O-N 3.07Å; Q196-K199 PolarHBondContact O-N 2.9Å; Q196-K199 VanDerWaalsContact O-N 3.17Å; K199-R201 VanDerWaalsContact C-N 3.33Å; K199-R201 PolarHBondContact O-N 2.86Å; K199-A202 PolarHBondContact O-N 2.79Å; K199-A203 WeakPolarHBondContact O-CB 3.26Å; K199-A203 PolarHBondContact O-N 2.88Å; K199-M242 HydrophobicContact CB-CG 4.49Å; K199-M242 HydrophobicContact CB-SD 4.37Å
200	E	87.8	Confident	84.8	Confident	89 Å²	89	65 Å²	65	42%	0.416	32%	0.318	S	S	.	.	H	α-helix	trans	-61.3	-42.2	178.3	-72.9	175.4	-165.4	0	0	111.9	Q196 K204	Q196-E200 WeakPolarHBondContact CG-OE1 3.42Å; Q196-E200 PolarHBondContact NE2-OE1 2.82Å; Q196-E200 WeakPolarHBondContact O-CG 3.49Å; Q196-E200 PolarHBondContact O-N 2.79Å; E200-K204 WeakPolarHBondContact O-CG 3.5Å; E200-K204 PolarHBondContact O-N 3.4Å
201	R	86.5	Confident	84.5	Confident	20 Å²	20	73.5 Å²	73.5	8%	0.075	35%	0.347	C	S	.	.	H	α-helix	trans	-67.5	-44	178.5	-176.5	173.5	-176.5	155.5	-2.1	112	S158 V179 K197 L198 K199 K204 M205 I218	S158-R201 VanDerWaalsContact CB-CZ 3.49Å; S158-R201 VanDerWaalsContact OG-CZ 3.25Å; S158-R201 PolarHBondContact OG-NH1 2.8Å; S158-R201 PolarHBondContact OG-NH2 2.9Å; V179-R201 PolarHBondContact O-NH1 3.19Å; K197-R201 VanDerWaalsContact O-CB 3.28Å; K197-R201 WeakPolarHBondContact O-CB 3.46Å; K197-R201 PolarHBondContact O-N 2.85Å; L198-R201 PolarHBondContact O-N 3.34Å; K199-R201 VanDerWaalsContact C-N 3.33Å; K199-R201 PolarHBondContact O-N 2.86Å; R201-K204 PolarHBondContact O-N 2.93Å; R201-M205 HydrophobicContact CG-CE 3.62Å; R201-M205 HydrophobicContact CG-SD 4.32Å; R201-M205 VanDerWaalsContact O-CG 3.27Å; R201-M205 WeakPolarHBondContact O-CG 3.2Å; R201-M205 PolarHBondContact O-N 2.97Å; R201-I218 HydrophobicContact CB-CD1 4.48Å; R201-I218 HydrophobicContact CG-CD1 4.16Å
202	A	89.1	Confident	83.9	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-65.5	-39.9	178	0	0	0	0	0	112.1	P135 L198 K199 K204 M205 I206 I218 L244	P135-A202 HydrophobicContact CB-CB 3.99Å; P135-A202 HydrophobicContact CG-CB 4.15Å; L198-A202 WeakPolarHBondContact O-CB 3.19Å; L198-A202 PolarHBondContact O-N 3.46Å; K199-A202 PolarHBondContact O-N 2.79Å; A202-K204 PolarHBondContact O-N 2.82Å; A202-M205 WeakPolarHBondContact O-CB 3.28Å; A202-M205 PolarHBondContact O-N 2.87Å; A202-I206 WeakPolarHBondContact O-CG1 3.45Å; A202-I206 PolarHBondContact O-N 2.98Å; A202-I218 HydrophobicContact CB-CD1 4.37Å; A202-L244 HydrophobicContact CB-CD1 3.38Å
203	A	87.1	Confident	83.1	Confident	46 Å²	46	69.8 Å²	69.8	38%	0.38	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-41.3	174.1	0	0	0	0	0	112.2	K199 I206 N207	K199-A203 WeakPolarHBondContact O-CB 3.26Å; K199-A203 PolarHBondContact O-N 2.88Å; A203-I206 PolarHBondContact O-N 2.91Å; A203-N207 PolarHBondContact O-N 2.95Å; A203-N207 PolarHBondContact O-ND2 3.06Å
204	K	84.7	Confident	82.3	Confident	89 Å²	89	72.1 Å²	72.1	39%	0.387	36%	0.363	S	S	.	.	H	α-helix	trans	-61.3	-45.8	173.5	-76.7	173.8	-177.9	167.4	0	111.8	E200 R201 A202 I206 N207 D208	E200-K204 WeakPolarHBondContact O-CG 3.5Å; E200-K204 PolarHBondContact O-N 3.4Å; R201-K204 PolarHBondContact O-N 2.93Å; A202-K204 PolarHBondContact O-N 2.82Å; K204-I206 VanDerWaalsContact C-N 3.31Å; K204-I206 PolarHBondContact O-N 3.31Å; K204-N207 PolarHBondContact O-N 2.87Å; K204-D208 WeakPolarHBondContact O-CB 3.48Å; K204-D208 PolarHBondContact O-N 3.27Å
205	M	86	Confident	81.9	Confident	1 Å²	1	74.2 Å²	74.2	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-52.8	-47.8	177	-73.6	164.8	173.4	0	0	112.4	P135 R201 A202 S209 W215 P216 I218	P135-M205 HydrophobicContact CB-CB 4.25Å; P135-M205 HydrophobicContact CB-SD 3.89Å; R201-M205 HydrophobicContact CG-CE 3.62Å; R201-M205 HydrophobicContact CG-SD 4.32Å; R201-M205 VanDerWaalsContact O-CG 3.27Å; R201-M205 WeakPolarHBondContact O-CG 3.2Å; R201-M205 PolarHBondContact O-N 2.97Å; A202-M205 WeakPolarHBondContact O-CB 3.28Å; A202-M205 PolarHBondContact O-N 2.87Å; M205-S209 WeakPolarHBondContact O-CB 3.47Å; M205-S209 PolarHBondContact O-N 3.15Å; M205-W215 HydrophobicContact CE-CB 3.91Å; M205-W215 HydrophobicContact CG-CB 3.56Å; M205-W215 HydrophobicContact CG-CG 4.08Å; M205-P216 WeakPolarHBondContact CE-O 3.3Å; M205-I218 HydrophobicContact CE-CD1 3.91Å; M205-I218 HydrophobicContact CE-CG1 4.12Å; M205-I218 HydrophobicContact SD-CD1 3.77Å
206	I	85.8	Confident	81.8	Confident	47 Å²	47	72.7 Å²	72.7	24%	0.241	36%	0.364	C	S	.	.	H	α-helix	trans	-64.7	-44.4	-178.7	-65.5	166.5	0	0	0	111.2	P135 A202 A203 K204 L244	P135-I206 HydrophobicContact CG-CD1 4.2Å; P135-I206 HydrophobicContact CG-CG1 4.36Å; A202-I206 WeakPolarHBondContact O-CG1 3.45Å; A202-I206 PolarHBondContact O-N 2.98Å; A203-I206 PolarHBondContact O-N 2.91Å; K204-I206 VanDerWaalsContact C-N 3.31Å; K204-I206 PolarHBondContact O-N 3.31Å; I206-L244 HydrophobicContact CD1-CD2 4.14Å
207	N	85.7	Confident	81.9	Confident	98 Å²	98	67.7 Å²	67.7	52%	0.524	34%	0.341	S	S	.	.	H	α-helix	trans	-72	-42.8	-178.4	-71.3	-23.5	0	0	0	112.6	A203 K204 K210	A203-N207 PolarHBondContact O-N 2.95Å; A203-N207 PolarHBondContact O-ND2 3.06Å; K204-N207 PolarHBondContact O-N 2.87Å; N207-K210 WeakPolarHBondContact O-CB 2.96Å; N207-K210 PolarHBondContact O-N 2.7Å
208	D	81.4	Confident	82.3	Confident	37 Å²	37	64.3 Å²	64.3	20%	0.198	33%	0.326	C	S	.	.	H	α-helix	trans	-74	-29.4	-177.9	-76.2	-11.4	0	0	0	112	K204 K210 R211 G212 V213 W215	K204-D208 WeakPolarHBondContact O-CB 3.48Å; K204-D208 PolarHBondContact O-N 3.27Å; D208-K210 PolarHBondContact O-N 2.98Å; D208-R211 CarbonylContact O-C 3.56Å; D208-R211 WeakPolarHBondContact O-CA 3.42Å; D208-R211 WeakPolarHBondContact O-CB 3.42Å; D208-R211 PolarHBondContact O-N 2.71Å; D208-G212 PolarHBondContact O-N 3.42Å; D208-V213 CarbonylContact C-O 3.48Å; D208-V213 HydrophobicContact CB-CB 3.98Å; D208-V213 HydrophobicContact CB-CG1 4.2Å; D208-V213 PolarHBondContact O-N 3.04Å; D208-W215 PolarHBondContact OD2-NE1 2.9Å
209	S	78.3	Confident	82.5	Confident	47 Å²	47	64.1 Å²	64.1	33%	0.329	33%	0.326	S	S	.	.	H	α-helix	trans	-59	-33.1	172.7	-173.5	0	0	0	0	112.1	M205 R211 G212	M205-S209 WeakPolarHBondContact O-CB 3.47Å; M205-S209 PolarHBondContact O-N 3.15Å; S209-R211 PolarHBondContact O-N 3.06Å; S209-G212 PolarHBondContact O-N 2.97Å
210	K	78.2	Confident	82.9	Confident	175 Å²	175	58.4 Å²	58.4	76%	0.761	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-19.7	174.6	-63.7	178.6	179.2	178.6	0	112.9	N207 D208	N207-K210 WeakPolarHBondContact O-CB 2.96Å; N207-K210 PolarHBondContact O-N 2.7Å; D208-K210 PolarHBondContact O-N 2.98Å
211	R	75	Confident	83.2	Confident	200 Å²	200	55.7 Å²	55.7	76%	0.755	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	7.1	179.1	-55	-179.2	71.2	-178.3	4.3	112.5	D208 S209 V213	D208-R211 CarbonylContact O-C 3.56Å; D208-R211 WeakPolarHBondContact O-CA 3.42Å; D208-R211 WeakPolarHBondContact O-CB 3.42Å; D208-R211 PolarHBondContact O-N 2.71Å; S209-R211 PolarHBondContact O-N 3.06Å; R211-V213 VanDerWaalsContact C-N 3.27Å; R211-V213 PolarHBondContact O-N 3.32Å
212	G	68.1	Low	83.7	Confident	67 Å²	67	54.8 Å²	54.8	69%	0.691	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	13.9	-176.3	0	0	0	0	0	114.4	D208 S209	D208-G212 PolarHBondContact O-N 3.42Å; S209-G212 PolarHBondContact O-N 2.97Å
213	V	68.3	Low	83.9	Confident	72 Å²	72	54.8 Å²	54.8	44%	0.436	29%	0.285	S	S	.	.			trans	-94.6	113	178.8	175	0	0	0	0	109.5	D208 R211	D208-V213 CarbonylContact C-O 3.48Å; D208-V213 HydrophobicContact CB-CB 3.98Å; D208-V213 HydrophobicContact CB-CG1 4.2Å; D208-V213 PolarHBondContact O-N 3.04Å; R211-V213 VanDerWaalsContact C-N 3.27Å; R211-V213 PolarHBondContact O-N 3.32Å
214	E	68.7	Low	84.1	Confident	136 Å²	136	53.4 Å²	53.4	64%	0.636	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-89.2	120.4	-179.2	-71.7	-173.2	165.4	0	0	113.2	R100	R100-E214 IonicContact CZ-OE2 3.91Å; R100-E214 IonicContact NH1-OE2 3.58Å; R100-E214 PolarHBondContact NH1-OE2 3.24Å; R100-E214 PolarHBondContact NH2-O 3.21Å
215	W	75.2	Confident	84.4	Confident	51 Å²	51	49.9 Å²	49.9	19%	0.193	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-100.3	145.5	167.7	-74.4	89.1	0	0	0	110.8	P74 M205 D208 Q217	P74-W215 HydrophobicContact CG-CH2 3.47Å; P74-W215 VanDerWaalsContact CG-CH2 3.47Å; P74-W215 HydrophobicContact CG-CZ2 4.1Å; P74-W215 HydrophobicContact CG-CZ3 4.33Å; M205-W215 HydrophobicContact CE-CB 3.91Å; M205-W215 HydrophobicContact CG-CB 3.56Å; M205-W215 HydrophobicContact CG-CG 4.08Å; D208-W215 PolarHBondContact OD2-NE1 2.9Å; W215-Q217 PolarHBondContact O-N 2.86Å
216	P	82.8	Confident	84.8	Confident	25 Å²	25	50.5 Å²	50.5	16%	0.162	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-69.5	117	172.3	26.3	-29.5	0	0	0	109.6	M205	M205-P216 WeakPolarHBondContact CE-O 3.3Å
217	Q	90.1	Very high	85.3	Confident	6 Å²	6	48.3 Å²	48.3	3%	0.028	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-46.8	154.8	174.2	-75.4	160.2	-62.8	0	0	111.5	A129 S130 A131 A134 P135 L137 P157 S158 W215	A129-Q217 PolarHBondContact O-NE2 3.3Å; A129-Q217 PolarHBondContact O-OE1 3.22Å; S130-Q217 PolarHBondContact O-NE2 2.79Å; A131-Q217 HydrophobicContact CB-CG 3.71Å; A134-Q217 PolarHBondContact O-NE2 2.72Å; P135-Q217 WeakPolarHBondContact O-CA 3.49Å; P135-Q217 WeakPolarHBondContact O-CB 3.49Å; L137-Q217 HydrophobicContact CD1-CB 4.41Å; L137-Q217 HydrophobicContact CG-CB 4.17Å; P157-Q217 CarbonylContact C-O 3.51Å; P157-Q217 VanDerWaalsContact CA-O 3.3Å; P157-Q217 WeakPolarHBondContact CA-O 3.36Å; P157-Q217 WeakPolarHBondContact CB-O 3.26Å; S158-Q217 PolarHBondContact N-O 3.08Å; W215-Q217 PolarHBondContact O-N 2.86Å
218	I	92.7	Very high	85.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.6	176.3	-57	121.2	0	0	0	110.2	P135 I136 L137 S158 V160 L198 R201 A202 M205 I220	P135-I218 PolarHBondContact O-N 2.77Å; I136-I218 CarbonylContact C-O 3.53Å; I136-I218 VanDerWaalsContact CA-O 3.31Å; I136-I218 WeakPolarHBondContact CA-O 3.42Å; L137-I218 PolarHBondContact N-O 2.71Å; S158-I218 CarbonylContact O-C 3.49Å; S158-I218 WeakPolarHBondContact O-CA 3.47Å; V160-I218 HydrophobicContact CG2-CG2 3.59Å; L198-I218 HydrophobicContact CD1-CB 4.03Å; L198-I218 HydrophobicContact CD1-CD1 3.63Å; L198-I218 HydrophobicContact CD1-CG1 3.78Å; L198-I218 HydrophobicContact CD1-CG2 3.6Å; R201-I218 HydrophobicContact CB-CD1 4.48Å; R201-I218 HydrophobicContact CG-CD1 4.16Å; A202-I218 HydrophobicContact CB-CD1 4.37Å; M205-I218 HydrophobicContact CE-CD1 3.91Å; M205-I218 HydrophobicContact CE-CG1 4.12Å; M205-I218 HydrophobicContact SD-CD1 3.77Å; I218-I220 HydrophobicContact CG2-CD1 4.23Å; I218-I220 HydrophobicContact CG2-CG1 3.92Å
219	A	93.7	Very high	86.4	Confident	2 Å²	2	44.7 Å²	44.7	2%	0.017	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.2	172.5	0	0	0	0	0	110.9	L137 L139 F151 P157 S158 V160	L137-A219 WeakPolarHBondContact O-CA 3.31Å; L139-A219 HydrophobicContact CD1-CB 3.45Å; L139-A219 VanDerWaalsContact CD1-CB 3.45Å; F151-A219 HydrophobicContact CD2-CB 4.27Å; F151-A219 HydrophobicContact CE2-CB 3.79Å; P157-A219 HydrophobicContact CB-CB 3.66Å; P157-A219 HydrophobicContact CG-CB 3.33Å; S158-A219 PolarHBondContact O-N 2.92Å; V160-A219 PolarHBondContact N-O 2.79Å
220	I	94.7	Very high	87.2	Confident	18 Å²	18	44.5 Å²	44.5	9%	0.092	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.6	179.5	-56	179.5	0	0	0	109.1	I136 L137 V138 L139 V160 L198 I218 P222 A239	I136-I220 HydrophobicContact CG2-CD1 4.07Å; I136-I220 HydrophobicContact CG2-CG1 4.38Å; L137-I220 PolarHBondContact O-N 2.74Å; V138-I220 WeakPolarHBondContact CA-O 3.47Å; L139-I220 PolarHBondContact N-O 2.9Å; V160-I220 HydrophobicContact CB-CG1 4.27Å; V160-I220 HydrophobicContact CG2-CD1 4.07Å; V160-I220 HydrophobicContact CG2-CG1 3.78Å; L198-I220 HydrophobicContact CD1-CD1 4.5Å; L198-I220 HydrophobicContact CD2-CD1 3.98Å; I218-I220 HydrophobicContact CG2-CD1 4.23Å; I218-I220 HydrophobicContact CG2-CG1 3.92Å; I220-P222 WeakPolarHBondContact O-CD 3.28Å; I220-A239 HydrophobicContact CB-CB 4.31Å; I220-A239 HydrophobicContact CD1-CB 3.75Å; I220-A239 HydrophobicContact CG2-CB 4.21Å
221	F	95.4	Very high	88	Confident	33 Å²	33	36.6 Å²	36.6	15%	0.145	19%	0.194	C	C	.	.			trans	-90.3	101	163.7	-75	-81.3	0	0	0	108.9	L139 H142 D147 E223 G224 I251	L139-F221 HydrophobicContact CB-CD1 3.7Å; L139-F221 HydrophobicContact CB-CE1 3.43Å; L139-F221 VanDerWaalsContact CB-CE1 3.43Å; L139-F221 HydrophobicContact CB-CE2 4.33Å; L139-F221 HydrophobicContact CB-CG 4.29Å; L139-F221 HydrophobicContact CB-CZ 3.76Å; L139-F221 HydrophobicContact CD2-CE1 4.43Å; L139-F221 HydrophobicContact CD2-CE2 4.46Å; L139-F221 HydrophobicContact CD2-CZ 3.97Å; L139-F221 HydrophobicContact CG-CE1 4.49Å; L139-F221 HydrophobicContact CG-CZ 4.39Å; L139-F221 WeakPolarHBondContact O-CA 3.39Å; L139-F221 WeakPolarHBondContact O-CD1 3.44Å; H142-F221 HydrophobicContact CB-CB 3.88Å; H142-F221 HydrophobicContact CB-CD1 3.4Å; H142-F221 VanDerWaalsContact CB-CD1 3.4Å; H142-F221 HydrophobicContact CB-CE1 4.09Å; H142-F221 HydrophobicContact CB-CG 3.79Å; H142-F221 AromaticContact CG-CD1 3.74Å; H142-F221 AromaticContact CG-CG 3.74Å; H142-F221 AromaticContact ND1-CD1 3.85Å; H142-F221 AromaticContact ND1-CE1 3.94Å; H142-F221 AromaticContact ND1-CG 3.9Å; D147-F221 HydrophobicContact CB-CZ 3.91Å; F221-E223 VanDerWaalsContact C-N 3.28Å; F221-E223 PolarHBondContact O-N 3.09Å; F221-G224 PolarHBondContact O-N 3.19Å; F221-I251 HydrophobicContact CE1-CD1 3.99Å; F221-I251 HydrophobicContact CZ-CD1 4.19Å
222	P	95.9	Very high	89.1	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.006	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-19.4	-169.3	34.6	-38.7	0	0	0	112.5	V138 L139 I220 G224 F235 K236 F240	V138-P222 HydrophobicContact CG1-CB 4.31Å; V138-P222 HydrophobicContact CG1-CG 3.58Å; L139-P222 WeakPolarHBondContact O-CD 3.44Å; I220-P222 WeakPolarHBondContact O-CD 3.28Å; P222-G224 PolarHBondContact O-N 3.43Å; P222-F235 HydrophobicContact CB-CB 3.88Å; P222-F235 HydrophobicContact CB-CD1 4.05Å; P222-F235 HydrophobicContact CB-CD2 3.76Å; P222-F235 HydrophobicContact CB-CE2 4.28Å; P222-F235 HydrophobicContact CB-CG 3.63Å; P222-F235 HydrophobicContact CG-CB 4.38Å; P222-F235 HydrophobicContact CG-CD1 3.68Å; P222-F235 HydrophobicContact CG-CD2 3.46Å; P222-F235 VanDerWaalsContact CG-CD2 3.46Å; P222-F235 HydrophobicContact CG-CE1 3.69Å; P222-F235 HydrophobicContact CG-CE2 3.45Å; P222-F235 VanDerWaalsContact CG-CE2 3.45Å; P222-F235 HydrophobicContact CG-CG 3.57Å; P222-F235 HydrophobicContact CG-CZ 3.57Å; P222-K236 VanDerWaalsContact O-CB 3.31Å; P222-K236 WeakPolarHBondContact O-CB 3.39Å; P222-K236 VanDerWaalsContact O-CG 3.26Å; P222-K236 WeakPolarHBondContact O-CG 3.39Å; P222-K236 PolarHBondContact O-N 2.97Å; P222-F240 HydrophobicContact CB-CE2 3.96Å; P222-F240 HydrophobicContact CB-CZ 4.36Å
223	E	94.9	Very high	90.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.7	172.6	-66.4	-172.8	123.7	0	0	112	P141 H142 F221 T225 I233 F235	P141-E223 VanDerWaalsContact CA-OE2 3.29Å; P141-E223 WeakPolarHBondContact CA-OE2 3.44Å; H142-E223 PolarHBondContact N-OE2 3.33Å; F221-E223 VanDerWaalsContact C-N 3.28Å; F221-E223 PolarHBondContact O-N 3.09Å; E223-T225 PolarHBondContact O-N 3.5Å; E223-I233 HydrophobicContact CB-CD1 4.09Å; E223-I233 HydrophobicContact CB-CG1 3.89Å; E223-I233 HydrophobicContact CG-CG1 3.79Å; E223-I233 PolarHBondContact OE1-N 3.45Å; E223-F235 HydrophobicContact CG-CD1 4.11Å; E223-F235 HydrophobicContact CG-CE1 3.82Å
224	G	90.2	Very high	91.7	Very high	16 Å²	16	22.1 Å²	22.1	17%	0.165	12%	0.116	C	C	.	.			trans	73.7	-0.7	179.1	0	0	0	0	0	115	R185 F221 P222	R185-G224 PolarHBondContact NH1-O 2.95Å; R185-G224 PolarHBondContact NH2-O 3.31Å; F221-G224 PolarHBondContact O-N 3.19Å; P222-G224 PolarHBondContact O-N 3.43Å
225	T	91.9	Very high	93.1	Very high	16 Å²	16	16.4 Å²	16.4	10%	0.098	9%	0.089	C	C	.	.	S	Bend	trans	-155.7	166.9	179.9	-162.1	0	0	0	0	110.9	F20 H142 E223 I233 W264 Y326	F20-T225 HydrophobicContact CE1-CG2 4.01Å; H142-T225 WeakPolarHBondContact CB-O 3.45Å; E223-T225 PolarHBondContact O-N 3.5Å; T225-I233 HydrophobicContact CG2-CD1 3.76Å; T225-W264 PolarHBondContact OG1-NE1 3.41Å; T225-Y326 HydrophobicContact CG2-CD2 4.22Å
226	C	94.6	Very high	93.9	Very high	14 Å²	14	17 Å²	17	10%	0.095	9%	0.093	C	C	.	.			trans	-84.7	136	178.1	-57	0	0	0	0	111.5	H142 C143 W262	H142-C226 CarbonylContact O-C 3.28Å; H142-C226 WeakPolarHBondContact O-CA 3.41Å; C143-C226 WeakPolarHBondContact O-CB 3.28Å; C226-W262 WeakPolarHBondContact CB-O 3.28Å
227	T	95.6	Very high	94.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.102	C	C	.	.			trans	-125.3	164.3	177.9	69.8	0	0	0	0	111.3	P19 F20 H142 R229 I233	P19-T227 HydrophobicContact CB-CG2 4.43Å; P19-T227 CarbonylContact O-C 3.56Å; P19-T227 VanDerWaalsContact O-CA 3.28Å; P19-T227 WeakPolarHBondContact O-CA 3.42Å; F20-T227 HydrophobicContact CE1-CG2 4.46Å; H142-T227 PolarHBondContact O-N 2.94Å; T227-R229 PolarHBondContact O-N 3.24Å; T227-R229 PolarHBondContact OG1-N 2.92Å; T227-I233 HydrophobicContact CG2-CD1 3.89Å; T227-I233 HydrophobicContact CG2-CG1 4.08Å; T227-I233 HydrophobicContact CG2-CG2 4.16Å
228	N	95.1	Very high	94.2	Very high	15 Å²	15	20 Å²	20	8%	0.08	11%	0.114	C	C	.	.			trans	-80.7	9	175.3	70.4	9.6	0	0	0	114.3	S18 P19 E21 N22 T230 T263	S18-N228 PolarHBondContact O-ND2 3.18Å; P19-N228 WeakPolarHBondContact CA-OD1 2.87Å; P19-N228 PolarHBondContact O-N 2.94Å; E21-N228 PolarHBondContact O-ND2 3.04Å; N22-N228 HydrophobicContact CB-CB 4.31Å; N228-T230 PolarHBondContact O-N 3.32Å; N228-T230 WeakPolarHBondContact OD1-CB 3.43Å; N228-T230 WeakPolarHBondContact OD1-CG2 3.4Å; N228-T230 PolarHBondContact OD1-N 3.43Å; N228-T230 VanDerWaalsContact OD1-N 3.16Å; N228-T230 PolarHBondContact OD1-OG1 3.49Å; N228-T263 HydrophobicContact CB-CG2 4.01Å
229	R	95.4	Very high	93.9	Very high	44 Å²	44	20 Å²	20	17%	0.166	11%	0.114	C	C	.	.	S	Bend	trans	65.6	7.9	173.2	-44	179.2	-83	119.4	-6.4	115.2	P141 C143 T227 Q231 W253 D258 S261	P141-R229 HydrophobicContact CB-CB 4.35Å; P141-R229 HydrophobicContact CB-CG 3.98Å; P141-R229 HydrophobicContact CG-CB 3.7Å; P141-R229 HydrophobicContact CG-CG 3.39Å; C143-R229 HydrophobicContact CB-CG 3.66Å; T227-R229 PolarHBondContact O-N 3.24Å; T227-R229 PolarHBondContact OG1-N 2.92Å; R229-Q231 PolarHBondContact O-N 3.13Å; R229-W253 PolarHBondContact NH1-O 3.16Å; R229-D258 IonicContact CZ-OD1 3.9Å; R229-D258 IonicContact CZ-OD2 3.32Å; R229-D258 IonicContact NE-OD1 2.72Å; R229-D258 IonicContact NE-OD2 3.76Å; R229-D258 IonicContact NH2-OD1 2.64Å; R229-D258 PolarHBondContact NH2-OD1 2.88Å; R229-D258 IonicContact NH2-OD2 2.77Å; R229-D258 PolarHBondContact NH2-OD2 2.95Å; R229-S261 PolarHBondContact NE-OG 2.85Å
230	T	94.3	Very high	93.9	Very high	44 Å²	44	20 Å²	20	27%	0.27	11%	0.114	S	C	.	.	S	Bend	trans	-74.4	-15.7	176.6	61.3	0	0	0	0	112.8	N228 P320	N228-T230 PolarHBondContact O-N 3.32Å; N228-T230 WeakPolarHBondContact OD1-CB 3.43Å; N228-T230 WeakPolarHBondContact OD1-CG2 3.4Å; N228-T230 PolarHBondContact OD1-N 3.43Å; N228-T230 VanDerWaalsContact OD1-N 3.16Å; N228-T230 PolarHBondContact OD1-OG1 3.49Å; T230-P320 WeakPolarHBondContact O-CD 3.32Å
231	Q	95.2	Very high	93.8	Very high	9 Å²	9	21.3 Å²	21.3	4%	0.042	13%	0.127	C	C	.	.	S	Bend	trans	-159.7	159.7	179.4	61.7	-160.7	-85.8	0	0	109.4	V16 G17 P19 R229 P320 S322	V16-Q231 HydrophobicContact CG2-CB 4.21Å; G17-Q231 PolarHBondContact O-NE2 3.4Å; P19-Q231 HydrophobicContact CB-CG 3.7Å; P19-Q231 HydrophobicContact CG-CG 4.11Å; R229-Q231 PolarHBondContact O-N 3.13Å; Q231-P320 CarbonylContact C-O 3.44Å; Q231-P320 WeakPolarHBondContact CA-O 3.39Å; Q231-P320 HydrophobicContact CB-CG 4.06Å; Q231-P320 VanDerWaalsContact CB-O 3.3Å; Q231-P320 WeakPolarHBondContact CB-O 3.48Å; Q231-S322 PolarHBondContact OE1-OG 3.14Å
232	L	97.4	Very high	93.5	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-97.4	119.5	168.1	-70.8	-172.2	0	0	0	110.9	A140 P141 F235 R310 M313 A314 L317 V319 P320 T321 S322	A140-L232 HydrophobicContact CB-CD2 4.02Å; P141-L232 HydrophobicContact CB-CD2 3.95Å; L232-F235 HydrophobicContact CD1-CE1 4.37Å; L232-F235 HydrophobicContact CD1-CZ 4.08Å; L232-R310 HydrophobicContact CB-CG 4.05Å; L232-R310 HydrophobicContact CD1-CG 4.14Å; L232-M313 HydrophobicContact CD1-CB 3.83Å; L232-A314 HydrophobicContact CD1-CB 4.07Å; L232-L317 HydrophobicContact CD1-CD1 3.93Å; L232-L317 HydrophobicContact CD2-CD1 3.89Å; L232-L317 HydrophobicContact CG-CD1 4.06Å; L232-V319 HydrophobicContact CG-CG2 4.18Å; L232-P320 PolarHBondContact N-O 3.3Å; L232-T321 CarbonylContact O-C 3.55Å; L232-T321 WeakPolarHBondContact O-CA 3.42Å; L232-S322 PolarHBondContact O-N 2.89Å
233	I	96.1	Very high	93.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.			trans	-75.9	174.4	176.2	67.9	166.7	0	0	0	111.3	P19 F20 E223 T225 T227 F235 R310 S322 Y324	P19-I233 HydrophobicContact CB-CG2 3.88Å; P19-I233 HydrophobicContact CG-CG2 3.7Å; F20-I233 HydrophobicContact CE1-CD1 4.01Å; F20-I233 HydrophobicContact CZ-CD1 4.15Å; F20-I233 HydrophobicContact CZ-CG2 4.19Å; E223-I233 HydrophobicContact CB-CD1 4.09Å; E223-I233 HydrophobicContact CB-CG1 3.89Å; E223-I233 HydrophobicContact CG-CG1 3.79Å; E223-I233 PolarHBondContact OE1-N 3.45Å; T225-I233 HydrophobicContact CG2-CD1 3.76Å; T227-I233 HydrophobicContact CG2-CD1 3.89Å; T227-I233 HydrophobicContact CG2-CG1 4.08Å; T227-I233 HydrophobicContact CG2-CG2 4.16Å; I233-F235 WeakPolarHBondContact O-CD1 3.1Å; I233-F235 PolarHBondContact O-N 3.41Å; I233-R310 WeakPolarHBondContact O-CD 3.08Å; I233-S322 CarbonylContact C-O 3.55Å; I233-Y324 WeakPolarHBondContact CB-O 3.28Å
234	S	95.9	Very high	93.2	Very high	33 Å²	33	29.2 Å²	29.2	23%	0.231	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-57.8	129.3	177.8	-68.1	0	0	0	0	112.4	S322 D323 Y324	S234-S322 PolarHBondContact N-O 3.33Å; S234-D323 WeakPolarHBondContact OG-CA 3.13Å; S234-D323 PolarHBondContact OG-O 3.32Å; S234-Y324 VanDerWaalsContact CB-O 3.26Å; S234-Y324 WeakPolarHBondContact CB-O 3.23Å; S234-Y324 PolarHBondContact N-O 2.9Å; S234-Y324 PolarHBondContact OG-O 3.05Å
235	F	97.3	Very high	93.5	Very high	16 Å²	16	29.9 Å²	29.9	7%	0.07	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-79.7	137.7	178.3	-78.9	8.7	0	0	0	111.7	V138 A140 P222 E223 L232 I233 F240 A306 R310 M313	V138-F235 HydrophobicContact CG1-CE2 4.35Å; A140-F235 HydrophobicContact CB-CE1 4.29Å; A140-F235 HydrophobicContact CB-CZ 3.85Å; P222-F235 HydrophobicContact CB-CB 3.88Å; P222-F235 HydrophobicContact CB-CD1 4.05Å; P222-F235 HydrophobicContact CB-CD2 3.76Å; P222-F235 HydrophobicContact CB-CE2 4.28Å; P222-F235 HydrophobicContact CB-CG 3.63Å; P222-F235 HydrophobicContact CG-CB 4.38Å; P222-F235 HydrophobicContact CG-CD1 3.68Å; P222-F235 HydrophobicContact CG-CD2 3.46Å; P222-F235 VanDerWaalsContact CG-CD2 3.46Å; P222-F235 HydrophobicContact CG-CE1 3.69Å; P222-F235 HydrophobicContact CG-CE2 3.45Å; P222-F235 VanDerWaalsContact CG-CE2 3.45Å; P222-F235 HydrophobicContact CG-CG 3.57Å; P222-F235 HydrophobicContact CG-CZ 3.57Å; E223-F235 HydrophobicContact CG-CD1 4.11Å; E223-F235 HydrophobicContact CG-CE1 3.82Å; L232-F235 HydrophobicContact CD1-CE1 4.37Å; L232-F235 HydrophobicContact CD1-CZ 4.08Å; I233-F235 WeakPolarHBondContact O-CD1 3.1Å; I233-F235 PolarHBondContact O-N 3.41Å; F235-F240 HydrophobicContact CB-CE2 4.07Å; F235-F240 AromaticContact CD2-CE2 3.97Å; F235-F240 HydrophobicContact CD2-CE2 3.97Å; F235-F240 AromaticContact CD2-CZ 3.78Å; F235-F240 HydrophobicContact CD2-CZ 3.78Å; F235-F240 HydrophobicContact CE2-CZ 4.46Å; F235-F240 HydrophobicContact CG-CE2 4.48Å; F235-A306 HydrophobicContact CB-CB 4.23Å; F235-R310 HydrophobicContact CD1-CB 4.33Å; F235-R310 HydrophobicContact CD1-CG 4.05Å; F235-R310 HydrophobicContact CD2-CB 3.66Å; F235-R310 HydrophobicContact CD2-CG 4.25Å; F235-R310 HydrophobicContact CE1-CB 4.29Å; F235-R310 HydrophobicContact CE1-CG 3.84Å; F235-R310 HydrophobicContact CE2-CB 3.61Å; F235-R310 HydrophobicContact CE2-CG 4.06Å; F235-R310 HydrophobicContact CG-CB 4.04Å; F235-R310 HydrophobicContact CG-CG 4.26Å; F235-R310 HydrophobicContact CZ-CB 3.95Å; F235-R310 HydrophobicContact CZ-CG 3.86Å; F235-M313 HydrophobicContact CE2-SD 3.74Å; F235-M313 HydrophobicContact CZ-SD 3.88Å
236	K	93.4	Very high	93.8	Very high	65 Å²	65	29.1 Å²	29.1	28%	0.283	16%	0.157	S	C	.	.	P	Polyproline II helix	trans	-70.1	140.6	169.9	-60.9	-66.6	167.2	-166.3	0	110.2	P222 G238 F240 E327	P222-K236 VanDerWaalsContact O-CB 3.31Å; P222-K236 WeakPolarHBondContact O-CB 3.39Å; P222-K236 VanDerWaalsContact O-CG 3.26Å; P222-K236 WeakPolarHBondContact O-CG 3.39Å; P222-K236 PolarHBondContact O-N 2.97Å; K236-G238 PolarHBondContact O-N 3.45Å; K236-F240 WeakPolarHBondContact O-CD2 3.39Å; K236-E327 IonicContact NZ-OE1 2.88Å; K236-E327 PolarHBondContact NZ-OE1 3.34Å; K236-E327 IonicContact NZ-OE2 2.69Å; K236-E327 PolarHBondContact NZ-OE2 3.39Å
237	L	92	Very high	93.9	Very high	65 Å²	65	28.7 Å²	28.7	34%	0.34	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-70.5	-10.8	-175.9	-65.8	-176.3	0	0	0	115.4	A239 F240 A241 A302 L303 A306	L237-A239 VanDerWaalsContact C-N 3.31Å; L237-A239 PolarHBondContact O-N 2.59Å; L237-F240 PolarHBondContact O-N 3.38Å; L237-A241 WeakPolarHBondContact O-CB 3.44Å; L237-A241 PolarHBondContact O-N 3.12Å; L237-A302 HydrophobicContact CD2-CB 4.27Å; L237-A302 WeakPolarHBondContact CD2-O 3.42Å; L237-L303 HydrophobicContact CD1-CD2 3.84Å; L237-L303 HydrophobicContact CD1-CG 3.93Å; L237-L303 HydrophobicContact CD2-CB 4.34Å; L237-L303 HydrophobicContact CD2-CD2 3.55Å; L237-L303 HydrophobicContact CD2-CG 3.85Å; L237-L303 HydrophobicContact CG-CD2 3.94Å; L237-L303 HydrophobicContact CG-CG 4.39Å; L237-A306 HydrophobicContact CD2-CB 4.05Å
238	G	86.5	Confident	94.1	Very high	28 Å²	28	28.7 Å²	28.7	29%	0.289	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-55.8	-41	-170.9	0	0	0	0	0	114.2	M195 K236 F240	M195-G238 VanDerWaalsContact CE-O 3.31Å; M195-G238 WeakPolarHBondContact CE-O 3.3Å; K236-G238 PolarHBondContact O-N 3.45Å; G238-F240 VanDerWaalsContact C-N 3.33Å
239	A	85.7	Confident	94.2	Very high	1 Å²	1	28 Å²	28	1%	0.008	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-70.5	-29.9	177.1	0	0	0	0	0	113.1	I136 V138 I220 L237	I136-A239 HydrophobicContact CG2-CB 4.39Å; V138-A239 HydrophobicContact CG2-CB 4.12Å; I220-A239 HydrophobicContact CB-CB 4.31Å; I220-A239 HydrophobicContact CD1-CB 3.75Å; I220-A239 HydrophobicContact CG2-CB 4.21Å; L237-A239 VanDerWaalsContact C-N 3.31Å; L237-A239 PolarHBondContact O-N 2.59Å
240	F	94.6	Very high	94.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-27.7	-167	-53.3	-74.9	0	0	0	113	V138 P222 F235 K236 L237 G238 M242 R243 V246 Y305 A306 V309	V138-F240 HydrophobicContact CG1-CZ 4.08Å; V138-F240 HydrophobicContact CG2-CE1 4.32Å; V138-F240 HydrophobicContact CG2-CZ 4.27Å; P222-F240 HydrophobicContact CB-CE2 3.96Å; P222-F240 HydrophobicContact CB-CZ 4.36Å; F235-F240 HydrophobicContact CB-CE2 4.07Å; F235-F240 AromaticContact CD2-CE2 3.97Å; F235-F240 HydrophobicContact CD2-CE2 3.97Å; F235-F240 AromaticContact CD2-CZ 3.78Å; F235-F240 HydrophobicContact CD2-CZ 3.78Å; F235-F240 HydrophobicContact CE2-CZ 4.46Å; F235-F240 HydrophobicContact CG-CE2 4.48Å; K236-F240 WeakPolarHBondContact O-CD2 3.39Å; L237-F240 PolarHBondContact O-N 3.38Å; G238-F240 VanDerWaalsContact C-N 3.33Å; F240-M242 PolarHBondContact O-N 2.93Å; F240-R243 PolarHBondContact O-N 3.09Å; F240-V246 HydrophobicContact CE1-CG2 4.47Å; F240-Y305 HydrophobicContact CB-CD1 3.66Å; F240-Y305 HydrophobicContact CB-CE1 4.25Å; F240-Y305 HydrophobicContact CB-CG 4.18Å; F240-Y305 AromaticContact CD1-CD1 3.77Å; F240-Y305 HydrophobicContact CD1-CD1 3.77Å; F240-Y305 HydrophobicContact CD1-CD2 4.12Å; F240-Y305 AromaticContact CD1-CE1 3.88Å; F240-Y305 HydrophobicContact CD1-CE1 3.88Å; F240-Y305 HydrophobicContact CD1-CE2 4.16Å; F240-Y305 AromaticContact CD1-CG 3.91Å; F240-Y305 HydrophobicContact CD1-CG 3.91Å; F240-Y305 HydrophobicContact CG-CD1 4.21Å; F240-Y305 HydrophobicContact CG-CG 4.45Å; F240-A306 HydrophobicContact CB-CB 4.31Å; F240-A306 HydrophobicContact CD1-CB 4.36Å; F240-A306 HydrophobicContact CD2-CB 3.38Å; F240-A306 HydrophobicContact CE2-CB 3.7Å; F240-A306 HydrophobicContact CG-CB 3.74Å; F240-A306 HydrophobicContact CZ-CB 4.32Å; F240-V309 HydrophobicContact CD1-CG2 4.46Å; F240-V309 HydrophobicContact CE1-CB 3.74Å; F240-V309 HydrophobicContact CE1-CG1 3.86Å; F240-V309 HydrophobicContact CE1-CG2 3.88Å; F240-V309 HydrophobicContact CZ-CB 4.25Å; F240-V309 HydrophobicContact CZ-CG1 4.15Å
241	A	91.7	Very high	94.6	Very high	46 Å²	46	23.9 Å²	23.9	38%	0.38	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.7	-179.2	0	0	0	0	0	114	M195 L237	M195-A241 HydrophobicContact CE-CB 3.84Å; L237-A241 WeakPolarHBondContact O-CB 3.44Å; L237-A241 PolarHBondContact O-N 3.12Å
242	M	89.3	Confident	94.7	Very high	20 Å²	20	25.4 Å²	25.4	10%	0.099	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-12.2	174.9	-64.6	178.5	-73.8	0	0	113.9	I136 M195 L198 K199 F240 L244	I136-M242 HydrophobicContact CD1-CE 3.19Å; I136-M242 HydrophobicContact CD1-SD 4.38Å; I136-M242 HydrophobicContact CG1-CE 4.11Å; M195-M242 HydrophobicContact CE-CG 4.16Å; L198-M242 HydrophobicContact CB-SD 4.01Å; L198-M242 HydrophobicContact CD1-CE 4.4Å; L198-M242 HydrophobicContact CD2-CE 3.21Å; L198-M242 HydrophobicContact CD2-SD 3.66Å; L198-M242 HydrophobicContact CG-CE 3.49Å; L198-M242 VanDerWaalsContact CG-CE 3.49Å; L198-M242 HydrophobicContact CG-SD 3.43Å; L198-M242 WeakPolarHBondContact CG-SD 3.29Å; K199-M242 HydrophobicContact CB-CG 4.49Å; K199-M242 HydrophobicContact CB-SD 4.37Å; F240-M242 PolarHBondContact O-N 2.93Å; M242-L244 HydrophobicContact CB-CD1 4.26Å; M242-L244 HydrophobicContact CB-CG 4.16Å; M242-L244 PolarHBondContact O-N 2.98Å
243	R	92.5	Very high	94.6	Very high	143 Å²	143	25.7 Å²	25.7	54%	0.54	14%	0.137	S	C	.	.			trans	60.3	26.2	177.7	-49.6	166.9	176.3	154.8	-4	113.5	F240 K299	F240-R243 PolarHBondContact O-N 3.09Å; R243-K299 HydrophobicContact CB-CG 4.27Å; R243-K299 VanDerWaalsContact CD-O 3.24Å; R243-K299 WeakPolarHBondContact CD-O 3.36Å; R243-K299 HydrophobicContact CG-CB 4.5Å; R243-K299 PolarHBondContact NE-O 3.2Å
244	L	93.6	Very high	94.6	Very high	38 Å²	38	29.1 Å²	29.1	20%	0.199	16%	0.159	C	C	.	.			trans	-95.5	155.9	177.8	-65.1	177.7	0	0	0	110.5	P135 I136 A202 I206 M242 V246 Y305	P135-L244 HydrophobicContact CG-CB 4.34Å; P135-L244 HydrophobicContact CG-CD1 4.13Å; I136-L244 HydrophobicContact CD1-CB 4.25Å; A202-L244 HydrophobicContact CB-CD1 3.38Å; I206-L244 HydrophobicContact CD1-CD2 4.14Å; M242-L244 HydrophobicContact CB-CD1 4.26Å; M242-L244 HydrophobicContact CB-CG 4.16Å; M242-L244 PolarHBondContact O-N 2.98Å; L244-V246 PolarHBondContact O-N 3.4Å; L244-Y305 PolarHBondContact O-OH 3.44Å
245	P	95.8	Very high	94.6	Very high	30 Å²	30	29 Å²	29	20%	0.195	16%	0.155	C	C	.	.			trans	-56.6	137.8	169.7	-23.4	33.8	0	0	0	111.3	E133 V291 Y292 V293	E133-P245 WeakPolarHBondContact O-CB 3.48Å; P245-V291 HydrophobicContact CB-CG1 3.86Å; P245-Y292 VanDerWaalsContact CA-O 3.3Å; P245-Y292 WeakPolarHBondContact CA-O 3.46Å; P245-V293 HydrophobicContact CB-CG2 4.19Å; P245-V293 HydrophobicContact CG-CG1 4.48Å; P245-V293 HydrophobicContact CG-CG2 4.26Å
246	V	97.1	Very high	94.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149.6	174.4	-55.8	0	0	0	0	109.9	I136 V138 F240 L244 Y292 Y305 V309	I136-V246 HydrophobicContact CB-CG1 4.07Å; I136-V246 HydrophobicContact CD1-CG1 4.36Å; I136-V246 HydrophobicContact CG2-CG1 4.16Å; I136-V246 CarbonylContact O-C 3.59Å; I136-V246 WeakPolarHBondContact O-CA 3.37Å; V138-V246 HydrophobicContact CG2-CB 3.79Å; V138-V246 HydrophobicContact CG2-CG1 4.01Å; V138-V246 HydrophobicContact CG2-CG2 4Å; F240-V246 HydrophobicContact CE1-CG2 4.47Å; L244-V246 PolarHBondContact O-N 3.4Å; V246-Y292 PolarHBondContact N-O 3.32Å; V246-Y292 PolarHBondContact O-N 2.95Å; V246-Y305 WeakPolarHBondContact CG1-OH 3.42Å; V246-Y305 HydrophobicContact CG2-CE2 4.36Å; V246-Y305 WeakPolarHBondContact CG2-OH 3.16Å; V246-Y305 PolarHBondContact N-OH 2.93Å; V246-V309 HydrophobicContact CG2-CG1 4.41Å; V246-V309 HydrophobicContact CG2-CG2 4.15Å
247	Q	97.9	Very high	94.4	Very high	5 Å²	5	32.9 Å²	32.9	2%	0.023	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	112.7	166.8	-166.7	178.7	24	0	0	109.5	S127 A134 I136 L137 V138 L289 V291	S127-Q247 PolarHBondContact O-NE2 2.79Å; A134-Q247 HydrophobicContact CB-CB 3.91Å; I136-Q247 PolarHBondContact O-N 3.47Å; L137-Q247 WeakPolarHBondContact CA-O 3.46Å; L137-Q247 HydrophobicContact CD2-CB 3.78Å; V138-Q247 PolarHBondContact N-O 2.88Å; Q247-L289 VanDerWaalsContact CG-O 3.25Å; Q247-L289 WeakPolarHBondContact CG-O 3.4Å; Q247-L289 PolarHBondContact NE2-O 2.81Å; Q247-V291 HydrophobicContact CB-CG2 4.49Å; Q247-V291 HydrophobicContact CG-CG2 4.47Å
248	P	98.5	Very high	94.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	135.1	173.8	-11.6	26.6	0	0	0	110.9	V138 L289 P290 V309 I312 M313	V138-P248 CarbonylContact O-C 3.51Å; V138-P248 WeakPolarHBondContact O-CA 3.29Å; P248-L289 HydrophobicContact CB-CB 4.13Å; P248-L289 HydrophobicContact CB-CD1 4.1Å; P248-L289 HydrophobicContact CB-CG 4.48Å; P248-L289 HydrophobicContact CG-CB 4.31Å; P248-L289 WeakPolarHBondContact O-CB 3.39Å; P248-L289 PolarHBondContact O-N 3.42Å; P248-P290 WeakPolarHBondContact CD-O 3.24Å; P248-V309 HydrophobicContact CB-CG1 4.37Å; P248-V309 HydrophobicContact CG-CG1 4.06Å; P248-I312 HydrophobicContact CG-CD1 3.82Å; P248-M313 HydrophobicContact CB-CE 4.15Å; P248-M313 HydrophobicContact CB-CG 3.67Å; P248-M313 HydrophobicContact CB-SD 3.88Å
249	V	98.5	Very high	95	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	113	178	-173.9	0	0	0	0	108.5	L137 V138 L139 A140 I286 E287 F288 M313	L137-V249 HydrophobicContact CB-CG2 4.4Å; V138-V249 PolarHBondContact O-N 2.66Å; L139-V249 WeakPolarHBondContact CA-O 3.43Å; L139-V249 HydrophobicContact CG-CB 4.27Å; A140-V249 PolarHBondContact N-O 2.97Å; A140-V249 VanDerWaalsContact N-O 3.1Å; V249-I286 HydrophobicContact CG1-CG2 3.63Å; V249-E287 WeakPolarHBondContact CA-O 3.32Å; V249-F288 HydrophobicContact CG1-CD1 4.32Å; V249-F288 HydrophobicContact CG1-CE1 4.31Å; V249-F288 HydrophobicContact CG2-CD1 3.68Å; V249-F288 HydrophobicContact CG2-CE1 3.87Å; V249-M313 WeakPolarHBondContact O-CE 2.96Å
250	C	98.6	Very high	95.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.9	-179.5	-67.7	0	0	0	0	110.3	A140 E287 C316 L317	A140-C250 WeakPolarHBondContact O-CA 3.25Å; C250-E287 HydrophobicContact CB-CB 4.36Å; C250-E287 PolarHBondContact N-O 3.38Å; C250-E287 PolarHBondContact O-N 3.02Å; C250-C316 HydrophobicContact CB-CB 4.49Å; C250-L317 HydrophobicContact CB-CD2 3.78Å; C250-L317 HydrophobicContact CB-CG 4.02Å
251	I	98.3	Very high	95.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.8	178.9	-54	169.3	0	0	0	109	L139 A140 P141 P150 F221 W253 V284	L139-I251 HydrophobicContact CB-CD1 4.37Å; L139-I251 HydrophobicContact CD2-CD1 4.15Å; A140-I251 PolarHBondContact O-N 2.87Å; P141-I251 VanDerWaalsContact CD-O 3.29Å; P141-I251 WeakPolarHBondContact CD-O 3.17Å; P150-I251 HydrophobicContact CB-CD1 4.11Å; P150-I251 HydrophobicContact CB-CG1 4.39Å; P150-I251 HydrophobicContact CB-CG2 4.43Å; P150-I251 HydrophobicContact CG-CD1 3.84Å; P150-I251 HydrophobicContact CG-CG1 4.46Å; P150-I251 HydrophobicContact CG-CG2 4.09Å; F221-I251 HydrophobicContact CE1-CD1 3.99Å; F221-I251 HydrophobicContact CZ-CD1 4.19Å; I251-W253 HydrophobicContact CG2-CZ2 3.99Å; I251-V284 HydrophobicContact CG2-CG2 3.9Å
252	K	97.6	Very high	95.7	Very high	40 Å²	40	30.4 Å²	30.4	17%	0.174	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.1	176.7	-57.6	173.8	-168.6	172.5	0	109.1	P254 V284 E285 E287 C316 L317	K252-P254 VanDerWaalsContact O-CD 3.26Å; K252-P254 WeakPolarHBondContact O-CD 3.25Å; K252-V284 CarbonylContact O-C 3.5Å; K252-V284 WeakPolarHBondContact O-CA 3.35Å; K252-E285 HydrophobicContact CB-CB 4.19Å; K252-E285 PolarHBondContact N-O 2.87Å; K252-E285 PolarHBondContact O-N 3.42Å; K252-E287 IonicContact NZ-OE2 2.91Å; K252-E287 PolarHBondContact NZ-OE2 2.92Å; K252-C316 VanDerWaalsContact CE-O 3.3Å; K252-C316 WeakPolarHBondContact CE-O 3.29Å; K252-C316 PolarHBondContact NZ-O 3.28Å; K252-L317 HydrophobicContact CD-CD2 4.46Å; K252-L317 HydrophobicContact CG-CD2 3.66Å
253	W	96.2	Very high	95.8	Very high	8 Å²	8	30.1 Å²	30.1	3%	0.03	14%	0.141	C	C	.	.			trans	-116.5	82.1	173.6	-53.4	91.2	0	0	0	109.1	F119 C143 F146 L149 P150 R229 I251 N255 I260 V284	F119-W253 HydrophobicContact CD1-CE3 4.4Å; F119-W253 AromaticContact CD1-CZ3 3.82Å; F119-W253 HydrophobicContact CD1-CZ3 3.82Å; F119-W253 AromaticContact CE1-CE3 3.72Å; F119-W253 HydrophobicContact CE1-CE3 3.72Å; F119-W253 HydrophobicContact CE1-CH2 4.27Å; F119-W253 AromaticContact CE1-CZ3 3.25Å; F119-W253 HydrophobicContact CE1-CZ3 3.25Å; F119-W253 AromaticContact CZ-CZ3 3.98Å; F119-W253 HydrophobicContact CZ-CZ3 3.98Å; C143-W253 PolarHBondContact SG-NE1 2.82Å; F146-W253 HydrophobicContact CB-CH2 4.2Å; F146-W253 WeakPolarHBondContact O-CH2 3.42Å; L149-W253 HydrophobicContact CD2-CZ3 4.39Å; P150-W253 HydrophobicContact CG-CH2 4.26Å; P150-W253 HydrophobicContact CG-CZ2 4.04Å; R229-W253 PolarHBondContact NH1-O 3.16Å; I251-W253 HydrophobicContact CG2-CZ2 3.99Å; W253-N255 PolarHBondContact O-N 2.82Å; W253-I260 HydrophobicContact CB-CG1 4.35Å; W253-I260 HydrophobicContact CD2-CG1 4.37Å; W253-I260 HydrophobicContact CD2-CG2 3.87Å; W253-I260 HydrophobicContact CE3-CG1 4.29Å; W253-I260 HydrophobicContact CE3-CG2 4.28Å; W253-I260 HydrophobicContact CG-CG1 4.44Å; W253-I260 HydrophobicContact CG-CG2 4.13Å; W253-I260 HydrophobicContact CZ2-CG2 4.28Å; W253-V284 HydrophobicContact CD2-CB 4.28Å; W253-V284 HydrophobicContact CD2-CG2 3.93Å; W253-V284 HydrophobicContact CE3-CB 3.55Å; W253-V284 HydrophobicContact CE3-CG2 3.66Å; W253-V284 HydrophobicContact CH2-CB 4.19Å; W253-V284 HydrophobicContact CH2-CG2 3.82Å; W253-V284 HydrophobicContact CZ2-CG2 4.07Å; W253-V284 HydrophobicContact CZ3-CB 3.48Å; W253-V284 VanDerWaalsContact CZ3-CB 3.48Å; W253-V284 HydrophobicContact CZ3-CG1 4.28Å; W253-V284 HydrophobicContact CZ3-CG2 3.58Å
254	P	95.4	Very high	95.7	Very high	71 Å²	71	26.8 Å²	26.8	46%	0.461	13%	0.129	S	C	.	.			trans	-79.2	67.8	-174.4	34.7	-37.6	0	0	0	111.3	K252 E285	K252-P254 VanDerWaalsContact O-CD 3.26Å; K252-P254 WeakPolarHBondContact O-CD 3.25Å; P254-E285 HydrophobicContact CG-CG 4.05Å
255	N	95.2	Very high	95.4	Very high	30 Å²	30	25.6 Å²	25.6	16%	0.16	12%	0.122	C	C	.	.			trans	-109	151.5	179.5	-58.9	-62.2	0	0	0	110.2	W253 Y257 L282 Y283	W253-N255 PolarHBondContact O-N 2.82Å; N255-Y257 VanDerWaalsContact C-N 3.27Å; N255-Y257 PolarHBondContact O-N 2.57Å; N255-L282 HydrophobicContact CB-CD2 4.32Å; N255-L282 WeakPolarHBondContact OD1-CA 3.45Å; N255-Y283 PolarHBondContact ND2-O 2.82Å; N255-Y283 VanDerWaalsContact ND2-O 3.15Å; N255-Y283 PolarHBondContact OD1-N 3.04Å
256	K	93	Very high	95	Very high	136 Å²	136	25.8 Å²	25.8	59%	0.591	13%	0.129	S	C	*	.	S	Bend	trans	-56.9	-42.5	179.1	-177.4	179	179.8	-175.1	0	111.7	E27 D30	E27-K256 IonicContact OE2-NZ 2.72Å; E27-K256 PolarHBondContact OE2-NZ 3.28Å; D30-K256 WeakPolarHBondContact OD2-CE 3.37Å; D30-K256 IonicContact OD2-NZ 2.96Å; D30-K256 PolarHBondContact OD2-NZ 3.03Å
257	Y	94.5	Very high	94.7	Very high	27 Å²	27	27.3 Å²	27.3	11%	0.106	14%	0.138	C	C	.	.	S	Bend	trans	-118.6	143.5	178.5	-62.2	-64.3	0	0	0	110.5	R25 M26 E27 D30 N255 V259	R25-Y257 WeakPolarHBondContact O-CE1 3.43Å; M26-Y257 HydrophobicContact CB-CE1 4.17Å; M26-Y257 HydrophobicContact CB-CE2 4.19Å; M26-Y257 HydrophobicContact CE-CD2 3.97Å; M26-Y257 HydrophobicContact CE-CG 4.13Å; M26-Y257 HydrophobicContact CG-CD1 3.99Å; M26-Y257 HydrophobicContact CG-CD2 3.9Å; M26-Y257 HydrophobicContact CG-CE1 3.96Å; M26-Y257 HydrophobicContact CG-CE2 3.84Å; M26-Y257 HydrophobicContact CG-CG 3.96Å; M26-Y257 HydrophobicContact SD-CD2 4.04Å; M26-Y257 HydrophobicContact SD-CE2 4.16Å; E27-Y257 PolarHBondContact N-OH 3.33Å; E27-Y257 VanDerWaalsContact N-OH 3.15Å; D30-Y257 HydrophobicContact CB-CE2 3.87Å; D30-Y257 VanDerWaalsContact OD2-CE2 3.32Å; D30-Y257 WeakPolarHBondContact OD2-CE2 3.39Å; D30-Y257 PolarHBondContact OD2-OH 3.1Å; N255-Y257 VanDerWaalsContact C-N 3.27Å; N255-Y257 PolarHBondContact O-N 2.57Å; Y257-V259 PolarHBondContact O-N 3.49Å
258	D	94.8	Very high	94.4	Very high	35 Å²	35	29.4 Å²	29.4	19%	0.187	15%	0.152	C	C	.	.			trans	-81.8	68.4	176.2	-169.1	5.5	0	0	0	112.3	N22 V24 R229 I260 S261	N22-D258 PolarHBondContact ND2-O 2.78Å; V24-D258 WeakPolarHBondContact CG2-O 3.32Å; R229-D258 IonicContact CZ-OD1 3.9Å; R229-D258 IonicContact CZ-OD2 3.32Å; R229-D258 IonicContact NE-OD1 2.72Å; R229-D258 IonicContact NE-OD2 3.76Å; R229-D258 IonicContact NH2-OD1 2.64Å; R229-D258 PolarHBondContact NH2-OD1 2.88Å; R229-D258 IonicContact NH2-OD2 2.77Å; R229-D258 PolarHBondContact NH2-OD2 2.95Å; D258-I260 PolarHBondContact O-N 2.92Å; D258-I260 PolarHBondContact OD1-N 2.73Å; D258-S261 WeakPolarHBondContact OD1-CB 3.43Å; D258-S261 PolarHBondContact OD1-N 2.88Å; D258-S261 PolarHBondContact OD1-OG 2.8Å; D258-S261 WeakPolarHBondContact OD2-CB 3.39Å; D258-S261 PolarHBondContact OD2-OG 2.81Å
259	V	95.8	Very high	94	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.			trans	-78.9	6.1	173.2	-57.5	0	0	0	0	113	V24 M26 Y257 L275 A276 Q279 L282	V24-V259 HydrophobicContact CG1-CG1 4.12Å; V24-V259 HydrophobicContact CG2-CG1 4.48Å; M26-V259 HydrophobicContact CE-CG1 3.84Å; Y257-V259 PolarHBondContact O-N 3.49Å; V259-L275 HydrophobicContact CB-CB 4.05Å; V259-L275 HydrophobicContact CG1-CB 3.74Å; V259-L275 HydrophobicContact CG1-CD1 4.47Å; V259-A276 HydrophobicContact CG2-CB 4.34Å; V259-Q279 HydrophobicContact CG1-CG 4.43Å; V259-Q279 HydrophobicContact CG2-CG 3.84Å; V259-L282 HydrophobicContact CG2-CD2 3.79Å
260	I	95.7	Very high	93.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-102.9	-46.5	-171.9	-55	-55.5	0	0	0	110.8	F119 S144 F146 W253 D258 W262 L282	F119-I260 HydrophobicContact CE1-CD1 3.77Å; F119-I260 HydrophobicContact CZ-CD1 3.52Å; S144-I260 WeakPolarHBondContact CB-O 3.47Å; S144-I260 PolarHBondContact OG-O 3Å; F146-I260 HydrophobicContact CB-CG2 4.08Å; F146-I260 HydrophobicContact CD2-CD1 4Å; F146-I260 HydrophobicContact CD2-CG2 4.16Å; F146-I260 HydrophobicContact CE2-CD1 4.31Å; F146-I260 HydrophobicContact CG-CD1 4.5Å; W253-I260 HydrophobicContact CB-CG1 4.35Å; W253-I260 HydrophobicContact CD2-CG1 4.37Å; W253-I260 HydrophobicContact CD2-CG2 3.87Å; W253-I260 HydrophobicContact CE3-CG1 4.29Å; W253-I260 HydrophobicContact CE3-CG2 4.28Å; W253-I260 HydrophobicContact CG-CG1 4.44Å; W253-I260 HydrophobicContact CG-CG2 4.13Å; W253-I260 HydrophobicContact CZ2-CG2 4.28Å; D258-I260 PolarHBondContact O-N 2.92Å; D258-I260 PolarHBondContact OD1-N 2.73Å; I260-W262 PolarHBondContact O-N 3.4Å; I260-L282 HydrophobicContact CD1-CD1 4.42Å; I260-L282 HydrophobicContact CD1-CD2 4.29Å
261	S	96	Very high	93.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	21%	0.209	C	C	.	.			trans	-69.6	121.9	-171	-56.4	0	0	0	0	111.6	N22 C143 R229 D258 L272	N22-S261 PolarHBondContact ND2-O 2.97Å; C143-S261 CarbonylContact O-C 3.57Å; C143-S261 WeakPolarHBondContact O-CA 3.22Å; R229-S261 PolarHBondContact NE-OG 2.85Å; D258-S261 WeakPolarHBondContact OD1-CB 3.43Å; D258-S261 PolarHBondContact OD1-N 2.88Å; D258-S261 PolarHBondContact OD1-OG 2.8Å; D258-S261 WeakPolarHBondContact OD2-CB 3.39Å; D258-S261 PolarHBondContact OD2-OG 2.81Å; S261-L272 WeakPolarHBondContact O-CD1 3.37Å
262	W	95	Very high	93.5	Very high	53 Å²	53	41.3 Å²	41.3	20%	0.201	21%	0.208	C	C	.	.			trans	-107.6	104.2	175.1	177.8	38.1	0	0	0	109.3	C143 F145 C226 I260 L272 V540 C543	C143-W262 PolarHBondContact O-N 2.89Å; F145-W262 HydrophobicContact CD1-CE3 4.19Å; F145-W262 HydrophobicContact CE1-CB 4.5Å; C226-W262 WeakPolarHBondContact CB-O 3.28Å; I260-W262 PolarHBondContact O-N 3.4Å; W262-L272 HydrophobicContact CB-CD1 3.65Å; W262-L272 HydrophobicContact CG-CD1 4.1Å; W262-V540 HydrophobicContact CH2-CG1 3.9Å; W262-V540 HydrophobicContact CZ2-CG1 3.92Å; W262-V540 HydrophobicContact CZ2-CG2 4.17Å; W262-C543 WeakPolarHBondContact CH2-SG 3.28Å; W262-C543 WeakPolarHBondContact CZ3-SG 3.21Å
263	T	92.5	Very high	93.5	Very high	13 Å²	13	42.3 Å²	42.3	8%	0.08	22%	0.215	C	C	.	.			trans	-110.4	177.6	-172.4	51	0	0	0	0	112.3	F20 N22 N228 E265	F20-T263 VanDerWaalsContact O-CB 3.28Å; F20-T263 WeakPolarHBondContact O-CB 3.18Å; N22-T263 HydrophobicContact CB-CG2 4.1Å; N22-T263 WeakPolarHBondContact CB-OG1 3.49Å; N22-T263 PolarHBondContact N-OG1 3.48Å; N228-T263 HydrophobicContact CB-CG2 4.01Å; T263-E265 PolarHBondContact O-N 2.98Å; T263-E265 PolarHBondContact OG1-O 3.04Å
264	W	89.8	Confident	93.5	Very high	74 Å²	74	46.9 Å²	46.9	28%	0.28	23%	0.232	S	C	.	.	S	Bend	trans	-66.1	-27.1	179.3	-71.4	77.9	0	0	0	113.3	F20 T225 Y326 A329 P330 S333 G335	F20-W264 HydrophobicContact CB-CB 4.34Å; F20-W264 AromaticContact CD1-CD1 3.81Å; F20-W264 PolarHBondContact O-N 3.37Å; T225-W264 PolarHBondContact OG1-NE1 3.41Å; W264-Y326 HydrophobicContact CH2-CE2 4.05Å; W264-Y326 AromaticContact CZ2-CD2 3.86Å; W264-Y326 HydrophobicContact CZ2-CD2 3.86Å; W264-Y326 AromaticContact CZ2-CE2 3.53Å; W264-Y326 HydrophobicContact CZ2-CE2 3.53Å; W264-A329 HydrophobicContact CD2-CB 3.97Å; W264-A329 HydrophobicContact CG-CB 4.11Å; W264-A329 HydrophobicContact CZ2-CB 3.98Å; W264-P330 HydrophobicContact CH2-CG 3.93Å; W264-P330 HydrophobicContact CZ3-CG 4.03Å; W264-S333 VanDerWaalsContact CB-CB 3.41Å; W264-S333 WeakPolarHBondContact CB-OG 3.49Å; W264-G335 WeakPolarHBondContact O-CA 3.35Å
265	E	87.7	Confident	93.6	Very high	13 Å²	13	44.1 Å²	44.1	6%	0.061	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.1	177	-173.4	160.6	170.2	0	0	111.1	F20 E21 N22 T263 Y334 S470 V471	F20-E265 PolarHBondContact O-N 3.28Å; E21-E265 WeakPolarHBondContact CA-O 3.24Å; E21-E265 HydrophobicContact CG-CB 4.42Å; E21-E265 HydrophobicContact CG-CG 4.34Å; N22-E265 PolarHBondContact N-O 3.32Å; T263-E265 PolarHBondContact O-N 2.98Å; T263-E265 PolarHBondContact OG1-O 3.04Å; E265-Y334 PolarHBondContact OE2-N 3.22Å; E265-S470 WeakPolarHBondContact OE1-CB 3.49Å; E265-V471 WeakPolarHBondContact OE1-CA 3.36Å; E265-V471 WeakPolarHBondContact OE1-CB 3.49Å; E265-V471 WeakPolarHBondContact OE1-CG2 3.11Å; E265-V471 PolarHBondContact OE1-N 3.03Å
266	G	87.1	Confident	93.6	Very high	33 Å²	33	42.7 Å²	42.7	34%	0.34	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	117.3	-142.1	179.2	0	0	0	0	0	113.6	N22	N22-G266 WeakPolarHBondContact O-CA 3.49Å
267	N	90.6	Very high	93.8	Very high	33 Å²	33	36.7 Å²	36.7	18%	0.176	18%	0.18	C	C	.	.	S	Bend	trans	-64.7	143.2	-174	-72.6	106.2	0	0	0	113	N22 S23 V24 E271 L272	N22-N267 PolarHBondContact O-N 3.22Å; N22-N267 VanDerWaalsContact O-N 3.08Å; S23-N267 WeakPolarHBondContact CA-OD1 3.49Å; V24-N267 PolarHBondContact N-OD1 3.43Å; N267-E271 WeakPolarHBondContact CA-OE2 3.2Å; N267-E271 HydrophobicContact CB-CB 4.26Å; N267-E271 WeakPolarHBondContact CB-OE2 3.49Å; N267-E271 PolarHBondContact ND2-OE2 3.43Å; N267-L272 HydrophobicContact CB-CD2 3.87Å; N267-L272 HydrophobicContact CB-CG 4.01Å
268	S	90.9	Very high	93.9	Very high	48 Å²	48	35.5 Å²	35.5	34%	0.336	18%	0.176	S	C	.	.			trans	-73.5	162	176.6	78.5	0	0	0	0	112	F270 E271 L272	S268-F270 VanDerWaalsContact C-N 3.25Å; S268-F270 PolarHBondContact O-N 3.2Å; S268-E271 PolarHBondContact N-OE2 3Å; S268-E271 PolarHBondContact O-N 2.82Å; S268-E271 VanDerWaalsContact O-N 3.16Å; S268-E271 WeakPolarHBondContact OG-CG 3.32Å; S268-E271 PolarHBondContact OG-N 2.96Å; S268-L272 WeakPolarHBondContact O-CG 3.43Å; S268-L272 PolarHBondContact O-N 2.93Å
269	V	91.7	Very high	93.9	Very high	36 Å²	36	35 Å²	35	22%	0.218	17%	0.172	C	C	.	.	H	α-helix	trans	-53.7	-41.4	176.8	66.7	0	0	0	0	112.6	F145 L272 I273	F145-V269 HydrophobicContact CD1-CG2 3.87Å; F145-V269 HydrophobicContact CE1-CG2 3.57Å; F145-V269 HydrophobicContact CZ-CG2 4.18Å; V269-L272 PolarHBondContact O-N 3.17Å; V269-I273 HydrophobicContact CG2-CD1 4.24Å; V269-I273 WeakPolarHBondContact O-CG1 3.39Å; V269-I273 PolarHBondContact O-N 3.31Å
270	F	94.1	Very high	93.7	Very high	161 Å²	161	38.8 Å²	38.8	71%	0.706	20%	0.197	S	C	*	.	H	α-helix	trans	-72.5	-37.4	-179.3	-65.4	-67.4	0	0	0	112.3	S268 L272 I273 W274	S268-F270 VanDerWaalsContact C-N 3.25Å; S268-F270 PolarHBondContact O-N 3.2Å; F270-L272 VanDerWaalsContact C-N 3.33Å; F270-I273 PolarHBondContact O-N 3.33Å; F270-W274 WeakPolarHBondContact O-CB 3.32Å; F270-W274 PolarHBondContact O-N 3.49Å
271	E	94.8	Very high	93.7	Very high	56 Å²	56	46.1 Å²	46.1	26%	0.262	23%	0.225	S	C	.	.	H	α-helix	trans	-61.7	-43.4	173.2	-71.3	169.1	175.8	0	0	110.6	N267 S268 W274 L275	N267-E271 WeakPolarHBondContact CA-OE2 3.2Å; N267-E271 HydrophobicContact CB-CB 4.26Å; N267-E271 WeakPolarHBondContact CB-OE2 3.49Å; N267-E271 PolarHBondContact ND2-OE2 3.43Å; S268-E271 PolarHBondContact N-OE2 3Å; S268-E271 PolarHBondContact O-N 2.82Å; S268-E271 VanDerWaalsContact O-N 3.16Å; S268-E271 WeakPolarHBondContact OG-CG 3.32Å; S268-E271 PolarHBondContact OG-N 2.96Å; E271-W274 PolarHBondContact O-N 3.49Å; E271-L275 WeakPolarHBondContact O-CB 3.48Å; E271-L275 WeakPolarHBondContact O-CG 3.41Å; E271-L275 PolarHBondContact O-N 2.94Å
272	L	96.2	Very high	93.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-43.1	178.1	-66.9	171.9	0	0	0	112.2	V24 S261 W262 N267 S268 V269 F270 L275 A276	V24-L272 HydrophobicContact CG2-CD2 4.32Å; S261-L272 WeakPolarHBondContact O-CD1 3.37Å; W262-L272 HydrophobicContact CB-CD1 3.65Å; W262-L272 HydrophobicContact CG-CD1 4.1Å; N267-L272 HydrophobicContact CB-CD2 3.87Å; N267-L272 HydrophobicContact CB-CG 4.01Å; S268-L272 WeakPolarHBondContact O-CG 3.43Å; S268-L272 PolarHBondContact O-N 2.93Å; V269-L272 PolarHBondContact O-N 3.17Å; F270-L272 VanDerWaalsContact C-N 3.33Å; L272-L275 PolarHBondContact O-N 3.48Å; L272-A276 VanDerWaalsContact O-CB 3.26Å; L272-A276 WeakPolarHBondContact O-CB 3Å; L272-A276 PolarHBondContact O-N 3.27Å
273	I	95.9	Very high	93.8	Very high	60 Å²	60	47.5 Å²	47.5	31%	0.308	23%	0.23	S	C	.	.	H	α-helix	trans	-59.6	-48.7	174.2	-69.2	169.4	0	0	0	110.4	F145 V269 F270 A276 L277	F145-I273 HydrophobicContact CE2-CD1 4.11Å; F145-I273 HydrophobicContact CE2-CG1 3.61Å; F145-I273 HydrophobicContact CZ-CD1 4.13Å; F145-I273 HydrophobicContact CZ-CG1 3.47Å; F145-I273 VanDerWaalsContact CZ-CG1 3.47Å; V269-I273 HydrophobicContact CG2-CD1 4.24Å; V269-I273 WeakPolarHBondContact O-CG1 3.39Å; V269-I273 PolarHBondContact O-N 3.31Å; F270-I273 PolarHBondContact O-N 3.33Å; I273-A276 PolarHBondContact O-N 3.03Å; I273-L277 HydrophobicContact CG2-CD1 3.72Å; I273-L277 HydrophobicContact CG2-CG 4.4Å; I273-L277 WeakPolarHBondContact O-CD1 3.24Å; I273-L277 VanDerWaalsContact O-CG 3.23Å; I273-L277 WeakPolarHBondContact O-CG 3.43Å; I273-L277 PolarHBondContact O-N 2.9Å
274	W	96.9	Very high	94.1	Very high	105 Å²	105	47 Å²	47	40%	0.398	23%	0.227	S	C	.	.	H	α-helix	trans	-59.4	-48	178.1	166.3	55.1	0	0	0	112.2	V34 S38 F270 E271 A276 L277 C278	V34-W274 HydrophobicContact CG1-CH2 4.11Å; V34-W274 HydrophobicContact CG1-CZ2 3.72Å; S38-W274 WeakPolarHBondContact OG-CZ2 3.28Å; S38-W274 PolarHBondContact OG-NE1 3.3Å; F270-W274 WeakPolarHBondContact O-CB 3.32Å; F270-W274 PolarHBondContact O-N 3.49Å; E271-W274 PolarHBondContact O-N 3.49Å; W274-A276 VanDerWaalsContact C-N 3.32Å; W274-A276 PolarHBondContact O-N 2.96Å; W274-L277 WeakPolarHBondContact O-CB 3.42Å; W274-L277 PolarHBondContact O-N 3.36Å; W274-C278 PolarHBondContact NE1-SG 3.32Å; W274-C278 VanDerWaalsContact NE1-SG 3.43Å; W274-C278 PolarHBondContact O-N 3.33Å; W274-C278 PolarHBondContact O-SG 3.47Å
275	L	96.7	Very high	94.5	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.068	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-39	178.7	-70.8	173.7	0	0	0	111.8	V24 M26 V34 V259 E271 L272 C278 Q279	V24-L275 HydrophobicContact CB-CD1 3.96Å; V24-L275 HydrophobicContact CG1-CD1 4.15Å; V24-L275 HydrophobicContact CG2-CD1 4.12Å; M26-L275 HydrophobicContact CE-CD2 3.88Å; V34-L275 HydrophobicContact CG1-CD2 4.19Å; V259-L275 HydrophobicContact CB-CB 4.05Å; V259-L275 HydrophobicContact CG1-CB 3.74Å; V259-L275 HydrophobicContact CG1-CD1 4.47Å; E271-L275 WeakPolarHBondContact O-CB 3.48Å; E271-L275 WeakPolarHBondContact O-CG 3.41Å; E271-L275 PolarHBondContact O-N 2.94Å; L272-L275 PolarHBondContact O-N 3.48Å; L275-C278 PolarHBondContact O-N 3.1Å; L275-Q279 WeakPolarHBondContact O-CG 3.27Å; L275-Q279 PolarHBondContact O-N 3.16Å; L275-Q279 PolarHBondContact O-NE2 2.88Å
276	A	96.8	Very high	95	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.9	-45.1	174.5	0	0	0	0	0	111.8	V117 F146 V259 L272 I273 W274 C278 Q279 L282	V117-A276 HydrophobicContact CG1-CB 4.11Å; F146-A276 HydrophobicContact CE2-CB 4.02Å; F146-A276 HydrophobicContact CZ-CB 3.63Å; V259-A276 HydrophobicContact CG2-CB 4.34Å; L272-A276 VanDerWaalsContact O-CB 3.26Å; L272-A276 WeakPolarHBondContact O-CB 3Å; L272-A276 PolarHBondContact O-N 3.27Å; I273-A276 PolarHBondContact O-N 3.03Å; W274-A276 VanDerWaalsContact C-N 3.32Å; W274-A276 PolarHBondContact O-N 2.96Å; A276-C278 PolarHBondContact O-N 2.64Å; A276-Q279 WeakPolarHBondContact O-CB 3.42Å; A276-Q279 PolarHBondContact O-N 3.48Å; A276-L282 HydrophobicContact CB-CD1 3.91Å
277	L	96.8	Very high	95.5	Very high	9 Å²	9	45 Å²	45	5%	0.047	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-30.8	175.2	-72	159	0	0	0	112.6	A42 R45 V46 V117 I273 W274 Q279	A42-L277 HydrophobicContact CB-CB 4.09Å; R45-L277 HydrophobicContact CB-CD2 3.52Å; R45-L277 PolarHBondContact NH1-O 3.42Å; V46-L277 HydrophobicContact CG2-CD1 3.35Å; V46-L277 HydrophobicContact CG2-CD2 4.11Å; V46-L277 HydrophobicContact CG2-CG 4.36Å; V117-L277 HydrophobicContact CB-CD2 4.38Å; V117-L277 HydrophobicContact CG1-CD2 4.24Å; V117-L277 HydrophobicContact CG1-CG 4.4Å; V117-L277 HydrophobicContact CG2-CD2 4.04Å; I273-L277 HydrophobicContact CG2-CD1 3.72Å; I273-L277 HydrophobicContact CG2-CG 4.4Å; I273-L277 WeakPolarHBondContact O-CD1 3.24Å; I273-L277 VanDerWaalsContact O-CG 3.23Å; I273-L277 WeakPolarHBondContact O-CG 3.43Å; I273-L277 PolarHBondContact O-N 2.9Å; W274-L277 WeakPolarHBondContact O-CB 3.42Å; W274-L277 PolarHBondContact O-N 3.36Å; L277-Q279 VanDerWaalsContact C-N 3.34Å
278	C	96.7	Very high	95.9	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.02	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-8.5	177.4	-63.9	0	0	0	0	113.7	V34 M37 S38 W274 L275 A276	V34-C278 HydrophobicContact CB-CB 4.41Å; V34-C278 HydrophobicContact CG1-CB 4.03Å; V34-C278 HydrophobicContact CG2-CB 4.2Å; M37-C278 HydrophobicContact CB-CB 3.99Å; M37-C278 WeakPolarHBondContact CE-O 3.33Å; S38-C278 PolarHBondContact OG-SG 3.4Å; W274-C278 PolarHBondContact NE1-SG 3.32Å; W274-C278 VanDerWaalsContact NE1-SG 3.43Å; W274-C278 PolarHBondContact O-N 3.33Å; W274-C278 PolarHBondContact O-SG 3.47Å; L275-C278 PolarHBondContact O-N 3.1Å; A276-C278 PolarHBondContact O-N 2.64Å
279	Q	94.5	Very high	96.2	Very high	23 Å²	23	43.1 Å²	43.1	11%	0.107	20%	0.197	C	C	.	.			trans	-76.4	130.1	176.6	-63.4	-45.6	-68.5	0	0	110.4	R45 V259 L275 A276 L277 R281 L282	R45-Q279 PolarHBondContact NH1-O 2.99Å; V259-Q279 HydrophobicContact CG1-CG 4.43Å; V259-Q279 HydrophobicContact CG2-CG 3.84Å; L275-Q279 WeakPolarHBondContact O-CG 3.27Å; L275-Q279 PolarHBondContact O-N 3.16Å; L275-Q279 PolarHBondContact O-NE2 2.88Å; A276-Q279 WeakPolarHBondContact O-CB 3.42Å; A276-Q279 PolarHBondContact O-N 3.48Å; L277-Q279 VanDerWaalsContact C-N 3.34Å; Q279-R281 VanDerWaalsContact C-N 3.27Å; Q279-R281 PolarHBondContact O-N 3.26Å; Q279-L282 HydrophobicContact CB-CD1 4.27Å; Q279-L282 HydrophobicContact CB-CD2 3.9Å; Q279-L282 HydrophobicContact CB-CG 3.78Å; Q279-L282 HydrophobicContact CG-CD1 4.47Å; Q279-L282 HydrophobicContact CG-CD2 3.73Å; Q279-L282 HydrophobicContact CG-CG 4.13Å
280	P	92.1	Very high	96.5	Very high	80 Å²	80	46.6 Å²	46.6	52%	0.519	22%	0.22	S	C	.	.	S	Bend	trans	-60.9	-40	178	23.1	-32.5	0	0	0	111.7	M37 R45	M37-P280 HydrophobicContact CE-CB 4.04Å; R45-P280 PolarHBondContact NH2-O 3.48Å
281	R	94.2	Very high	96.7	Very high	155 Å²	155	41.2 Å²	41.2	59%	0.585	20%	0.201	S	C	*	.			trans	-146.9	132.4	-179.9	-63	-174.8	-169.5	96.7	1.6	109.8	C120 Q279 Y283	C120-R281 VanDerWaalsContact SG-CB 3.6Å; Q279-R281 VanDerWaalsContact C-N 3.27Å; Q279-R281 PolarHBondContact O-N 3.26Å; R281-Y283 HydrophobicContact CB-CE2 3.93Å; R281-Y283 WeakPolarHBondContact CD-OH 3.37Å
282	L	97.1	Very high	96.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.197	C	C	.	.			trans	-115.3	145.1	170.6	-71.3	168.1	0	0	0	109.8	G118 F119 C120 N255 V259 I260 A276 Q279	G118-L282 PolarHBondContact O-N 3.5Å; F119-L282 CarbonylContact C-O 3.55Å; F119-L282 WeakPolarHBondContact CA-O 3.04Å; F119-L282 HydrophobicContact CB-CB 4.48Å; F119-L282 HydrophobicContact CD1-CB 3.42Å; F119-L282 VanDerWaalsContact CD1-CB 3.42Å; F119-L282 HydrophobicContact CD1-CD1 4.28Å; F119-L282 HydrophobicContact CD1-CG 4.46Å; F119-L282 HydrophobicContact CD2-CD1 4.22Å; F119-L282 HydrophobicContact CE1-CB 3.64Å; F119-L282 HydrophobicContact CE1-CD1 3.9Å; F119-L282 HydrophobicContact CE1-CG 4.28Å; F119-L282 HydrophobicContact CE2-CD1 3.87Å; F119-L282 HydrophobicContact CG-CB 3.91Å; F119-L282 HydrophobicContact CG-CD1 4.43Å; F119-L282 HydrophobicContact CZ-CB 4.33Å; F119-L282 HydrophobicContact CZ-CD1 3.72Å; C120-L282 PolarHBondContact N-O 2.96Å; N255-L282 HydrophobicContact CB-CD2 4.32Å; N255-L282 WeakPolarHBondContact OD1-CA 3.45Å; V259-L282 HydrophobicContact CG2-CD2 3.79Å; I260-L282 HydrophobicContact CD1-CD1 4.42Å; I260-L282 HydrophobicContact CD1-CD2 4.29Å; A276-L282 HydrophobicContact CB-CD1 3.91Å; Q279-L282 HydrophobicContact CB-CD1 4.27Å; Q279-L282 HydrophobicContact CB-CD2 3.9Å; Q279-L282 HydrophobicContact CB-CG 3.78Å; Q279-L282 HydrophobicContact CG-CD1 4.47Å; Q279-L282 HydrophobicContact CG-CD2 3.73Å; Q279-L282 HydrophobicContact CG-CG 4.13Å
283	Y	97.6	Very high	97	Very high	83 Å²	83	45.5 Å²	45.5	33%	0.325	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.9	-175.5	-57.5	-86	0	0	0	110.6	R121 N255 R281	R121-Y283 HydrophobicContact CB-CD1 3.77Å; R121-Y283 HydrophobicContact CB-CE1 4.03Å; R121-Y283 HydrophobicContact CG-CD1 4.32Å; N255-Y283 PolarHBondContact ND2-O 2.82Å; N255-Y283 VanDerWaalsContact ND2-O 3.15Å; N255-Y283 PolarHBondContact OD1-N 3.04Å; R281-Y283 HydrophobicContact CB-CE2 3.93Å; R281-Y283 WeakPolarHBondContact CD-OH 3.37Å
284	V	97.4	Very high	97	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	137.2	168.1	64	0	0	0	0	109.5	R121 V122 K123 L149 I251 K252 W253 I286	R121-V284 PolarHBondContact O-N 2.92Å; V122-V284 HydrophobicContact CB-CG1 4.01Å; V122-V284 HydrophobicContact CG1-CG1 3.97Å; V122-V284 HydrophobicContact CG2-CG1 3.58Å; K123-V284 PolarHBondContact N-O 3.35Å; L149-V284 HydrophobicContact CD2-CG1 3.9Å; I251-V284 HydrophobicContact CG2-CG2 3.9Å; K252-V284 CarbonylContact O-C 3.5Å; K252-V284 WeakPolarHBondContact O-CA 3.35Å; W253-V284 HydrophobicContact CD2-CB 4.28Å; W253-V284 HydrophobicContact CD2-CG2 3.93Å; W253-V284 HydrophobicContact CE3-CB 3.55Å; W253-V284 HydrophobicContact CE3-CG2 3.66Å; W253-V284 HydrophobicContact CH2-CB 4.19Å; W253-V284 HydrophobicContact CH2-CG2 3.82Å; W253-V284 HydrophobicContact CZ2-CG2 4.07Å; W253-V284 HydrophobicContact CZ3-CB 3.48Å; W253-V284 VanDerWaalsContact CZ3-CB 3.48Å; W253-V284 HydrophobicContact CZ3-CG1 4.28Å; W253-V284 HydrophobicContact CZ3-CG2 3.58Å; V284-I286 HydrophobicContact CG2-CG1 4.44Å
285	E	97.9	Very high	97	Very high	35 Å²	35	41.8 Å²	41.8	16%	0.164	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.6	166.5	-45.7	-163.8	148	0	0	109.5	K123 K125 K252 P254	K123-E285 HydrophobicContact CB-CB 4.34Å; K123-E285 HydrophobicContact CB-CG 4.11Å; K123-E285 HydrophobicContact CD-CG 4Å; K123-E285 WeakPolarHBondContact CD-OE1 3.33Å; K123-E285 IonicContact NZ-OE1 3.95Å; K123-E285 PolarHBondContact NZ-OE1 3.43Å; K123-E285 CarbonylContact O-C 3.59Å; K123-E285 VanDerWaalsContact O-CA 3.27Å; K123-E285 WeakPolarHBondContact O-CA 3.32Å; K125-E285 IonicContact NZ-OE2 2.55Å; K125-E285 PolarHBondContact NZ-OE2 3.2Å; K252-E285 HydrophobicContact CB-CB 4.19Å; K252-E285 PolarHBondContact N-O 2.87Å; K252-E285 PolarHBondContact O-N 3.42Å; P254-E285 HydrophobicContact CG-CG 4.05Å
286	I	98.1	Very high	97	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.3	174.3	-53.8	171.4	0	0	0	106.7	V122 K123 V124 K125 P150 W153 I154 V249 V284 F288	V122-I286 HydrophobicContact CG1-CD1 3.96Å; K123-I286 PolarHBondContact O-N 3.36Å; V124-I286 CarbonylContact C-O 3.53Å; V124-I286 WeakPolarHBondContact CA-O 3.34Å; K125-I286 PolarHBondContact N-O 3.14Å; P150-I286 HydrophobicContact CB-CD1 3.57Å; P150-I286 HydrophobicContact CB-CG1 3.85Å; W153-I286 HydrophobicContact CB-CD1 4.11Å; W153-I286 HydrophobicContact CG-CD1 4.16Å; I154-I286 HydrophobicContact CG2-CD1 4.34Å; I154-I286 HydrophobicContact CG2-CG2 4.09Å; V249-I286 HydrophobicContact CG1-CG2 3.63Å; V284-I286 HydrophobicContact CG2-CG1 4.44Å; I286-F288 HydrophobicContact CG2-CD2 4.5Å; I286-F288 HydrophobicContact CG2-CE2 4.09Å; I286-F288 HydrophobicContact CG2-CZ 4.42Å
287	E	98.3	Very high	97	Very high	42 Å²	42	49.7 Å²	49.7	20%	0.196	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	106.7	-177.9	-174.1	161.5	177.6	0	0	109.8	K125 V249 C250 K252 L289	K125-E287 HydrophobicContact CB-CB 4.16Å; K125-E287 HydrophobicContact CB-CG 3.9Å; K125-E287 HydrophobicContact CD-CB 4.44Å; K125-E287 HydrophobicContact CD-CG 4.18Å; K125-E287 IonicContact NZ-OE2 2.65Å; K125-E287 WeakPolarHBondContact O-CA 3.3Å; V249-E287 WeakPolarHBondContact CA-O 3.32Å; C250-E287 HydrophobicContact CB-CB 4.36Å; C250-E287 PolarHBondContact N-O 3.38Å; C250-E287 PolarHBondContact O-N 3.02Å; K252-E287 IonicContact NZ-OE2 2.91Å; K252-E287 PolarHBondContact NZ-OE2 2.92Å; E287-L289 HydrophobicContact CG-CD2 4.34Å; E287-L289 PolarHBondContact O-N 2.83Å
288	F	98.5	Very high	97	Very high	19 Å²	19	49.3 Å²	49.3	8%	0.083	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	114	171.6	-68	-84.7	0	0	0	108.7	V124 K125 R128 I154 V249 I286	V124-F288 HydrophobicContact CG1-CD2 3.91Å; V124-F288 HydrophobicContact CG1-CE2 3.73Å; K125-F288 PolarHBondContact O-N 2.87Å; R128-F288 HydrophobicContact CB-CD1 4.07Å; R128-F288 HydrophobicContact CB-CE1 3.62Å; R128-F288 HydrophobicContact CB-CE2 4.43Å; R128-F288 HydrophobicContact CB-CZ 3.81Å; R128-F288 HydrophobicContact CG-CD1 4.48Å; R128-F288 HydrophobicContact CG-CE1 3.84Å; R128-F288 HydrophobicContact CG-CZ 4.31Å; I154-F288 HydrophobicContact CB-CZ 4.08Å; I154-F288 HydrophobicContact CG2-CE1 4.2Å; I154-F288 HydrophobicContact CG2-CE2 4.26Å; I154-F288 HydrophobicContact CG2-CZ 3.46Å; I154-F288 VanDerWaalsContact CG2-CZ 3.46Å; V249-F288 HydrophobicContact CG1-CD1 4.32Å; V249-F288 HydrophobicContact CG1-CE1 4.31Å; V249-F288 HydrophobicContact CG2-CD1 3.68Å; V249-F288 HydrophobicContact CG2-CE1 3.87Å; I286-F288 HydrophobicContact CG2-CD2 4.5Å; I286-F288 HydrophobicContact CG2-CE2 4.09Å; I286-F288 HydrophobicContact CG2-CZ 4.42Å
289	L	98.5	Very high	96.9	Very high	24 Å²	24	52.3 Å²	52.3	13%	0.126	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-79.4	160.9	170.3	-63.4	-174.9	0	0	0	110	Q247 P248 E287 M313 C316	Q247-L289 VanDerWaalsContact CG-O 3.25Å; Q247-L289 WeakPolarHBondContact CG-O 3.4Å; Q247-L289 PolarHBondContact NE2-O 2.81Å; P248-L289 HydrophobicContact CB-CB 4.13Å; P248-L289 HydrophobicContact CB-CD1 4.1Å; P248-L289 HydrophobicContact CB-CG 4.48Å; P248-L289 HydrophobicContact CG-CB 4.31Å; P248-L289 WeakPolarHBondContact O-CB 3.39Å; P248-L289 PolarHBondContact O-N 3.42Å; E287-L289 HydrophobicContact CG-CD2 4.34Å; E287-L289 PolarHBondContact O-N 2.83Å; L289-M313 HydrophobicContact CD1-CG 4.38Å; L289-C316 HydrophobicContact CD1-CB 3.93Å; L289-C316 HydrophobicContact CD2-CB 4.07Å
290	P	98.2	Very high	96.9	Very high	108 Å²	108	57.5 Å²	57.5	70%	0.701	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-53.6	151.5	171.5	-26.1	35.6	0	0	0	111.9	P248 Y292	P248-P290 WeakPolarHBondContact CD-O 3.24Å; P290-Y292 PolarHBondContact O-N 3.48Å
291	V	98.3	Very high	97.1	Very high	48 Å²	48	57.1 Å²	57.1	29%	0.291	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-58.5	127.5	174.7	177.4	0	0	0	0	109.2	A129 A134 P245 Q247 V293	A129-V291 HydrophobicContact CB-CG2 3.4Å; A134-V291 HydrophobicContact CB-CG1 3.93Å; A134-V291 HydrophobicContact CB-CG2 3.93Å; P245-V291 HydrophobicContact CB-CG1 3.86Å; Q247-V291 HydrophobicContact CB-CG2 4.49Å; Q247-V291 HydrophobicContact CG-CG2 4.47Å; V291-V293 HydrophobicContact CG1-CG2 4.3Å
292	Y	98.1	Very high	97.2	Very high	50 Å²	50	50.7 Å²	50.7	20%	0.196	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-96	117.7	175.5	-163	-75.2	0	0	0	109.2	P245 V246 P290 E298 Y305 N308 V309 I312	P245-Y292 VanDerWaalsContact CA-O 3.3Å; P245-Y292 WeakPolarHBondContact CA-O 3.46Å; V246-Y292 PolarHBondContact N-O 3.32Å; V246-Y292 PolarHBondContact O-N 2.95Å; P290-Y292 PolarHBondContact O-N 3.48Å; Y292-E298 WeakPolarHBondContact CE1-OE2 3.25Å; Y292-E298 PolarHBondContact OH-OE1 3.05Å; Y292-Y305 HydrophobicContact CD1-CD2 4.08Å; Y292-Y305 AromaticContact CD1-CE2 3.36Å; Y292-Y305 HydrophobicContact CD1-CE2 3.36Å; Y292-Y305 AromaticContact CE1-CD2 3.84Å; Y292-Y305 HydrophobicContact CE1-CD2 3.84Å; Y292-Y305 AromaticContact CE1-CE2 3.62Å; Y292-Y305 HydrophobicContact CE1-CE2 3.62Å; Y292-Y305 HydrophobicContact CG-CE2 4.36Å; Y292-Y305 PolarHBondContact O-OH 3.13Å; Y292-N308 WeakPolarHBondContact OH-CB 3.44Å; Y292-V309 HydrophobicContact CD1-CG2 3.91Å; Y292-V309 HydrophobicContact CD2-CG2 4.28Å; Y292-V309 HydrophobicContact CE1-CG2 4.16Å; Y292-V309 HydrophobicContact CG-CG2 3.91Å; Y292-I312 HydrophobicContact CD2-CD1 3.46Å; Y292-I312 VanDerWaalsContact CD2-CD1 3.46Å; Y292-I312 HydrophobicContact CE2-CD1 3.96Å; Y292-I312 HydrophobicContact CG-CD1 4.4Å
293	V	97.4	Very high	97.1	Very high	97 Å²	97	55.9 Å²	55.9	59%	0.588	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-102.7	121.9	176.2	-178.4	0	0	0	0	107.9	P245 V291 N295	P245-V293 HydrophobicContact CB-CG2 4.19Å; P245-V293 HydrophobicContact CG-CG1 4.48Å; P245-V293 HydrophobicContact CG-CG2 4.26Å; V291-V293 HydrophobicContact CG1-CG2 4.3Å; V293-N295 PolarHBondContact O-N 3.45Å
294	P	97.1	Very high	97.1	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.026	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-67.5	134.1	-179.5	27.2	-32.5	0	0	0	110.9	E298 K299 Y305	P294-E298 VanDerWaalsContact CA-OE2 3.3Å; P294-E298 WeakPolarHBondContact CA-OE2 3.38Å; P294-E298 HydrophobicContact CB-CB 3.88Å; P294-K299 HydrophobicContact CB-CG 4.24Å; P294-K299 HydrophobicContact CG-CG 4.27Å; P294-K299 VanDerWaalsContact O-CE 3.32Å; P294-K299 WeakPolarHBondContact O-CE 3.3Å; P294-Y305 HydrophobicContact CB-CD1 3.99Å; P294-Y305 HydrophobicContact CB-CD2 4.14Å; P294-Y305 HydrophobicContact CB-CE1 3.85Å; P294-Y305 HydrophobicContact CB-CE2 4.06Å; P294-Y305 HydrophobicContact CB-CG 4.13Å; P294-Y305 HydrophobicContact CG-CD1 4.42Å; P294-Y305 HydrophobicContact CG-CE1 3.87Å
295	N	96.8	Very high	97.1	Very high	82 Å²	82	54.9 Å²	54.9	44%	0.439	30%	0.3	S	S	.	.			trans	-76.3	175.2	171.5	67.3	41	0	0	0	111.5	V293 A297 E298 K299	V293-N295 PolarHBondContact O-N 3.45Å; N295-A297 VanDerWaalsContact C-N 3.33Å; N295-A297 PolarHBondContact O-N 2.78Å; N295-A297 WeakPolarHBondContact OD1-CB 3.36Å; N295-A297 PolarHBondContact OD1-N 2.68Å; N295-A297 VanDerWaalsContact OD1-N 3.08Å; N295-E298 PolarHBondContact N-OE2 3.34Å; N295-E298 PolarHBondContact ND2-OE2 3.41Å; N295-E298 PolarHBondContact O-N 3.4Å; N295-E298 VanDerWaalsContact O-N 3.15Å; N295-E298 WeakPolarHBondContact OD1-CG 3.48Å; N295-E298 PolarHBondContact OD1-N 3.16Å; N295-K299 VanDerWaalsContact O-CG 3.32Å; N295-K299 WeakPolarHBondContact O-CG 3.44Å; N295-K299 PolarHBondContact O-N 3.3Å
296	E	96.4	Very high	97.1	Very high	123 Å²	123	53.4 Å²	53.4	58%	0.575	29%	0.294	S	S	*	.	H	α-helix	trans	-58.5	-40.9	-177.4	-61.4	-51.1	125.5	0	0	113.2	E298 K299 D300	E296-E298 VanDerWaalsContact C-N 3.34Å; E296-E298 PolarHBondContact O-N 3Å; E296-K299 WeakPolarHBondContact O-CB 3.42Å; E296-K299 PolarHBondContact O-N 3.26Å; E296-K299 IonicContact OE1-NZ 2.71Å; E296-K299 PolarHBondContact OE1-NZ 2.94Å; E296-K299 IonicContact OE2-NZ 3.73Å; E296-D300 PolarHBondContact O-N 2.75Å
297	A	97	Very high	97.1	Very high	56 Å²	56	57.3 Å²	57.3	46%	0.463	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-38	177.1	0	0	0	0	0	112.4	N295 D300 D301 L304	N295-A297 VanDerWaalsContact C-N 3.33Å; N295-A297 PolarHBondContact O-N 2.78Å; N295-A297 WeakPolarHBondContact OD1-CB 3.36Å; N295-A297 PolarHBondContact OD1-N 2.68Å; N295-A297 VanDerWaalsContact OD1-N 3.08Å; A297-D300 PolarHBondContact O-N 3.42Å; A297-D301 PolarHBondContact O-N 3.38Å; A297-L304 HydrophobicContact CB-CD2 4.19Å
298	E	97.1	Very high	97.1	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-74.6	-27.9	176	-71.1	172.3	145.3	0	0	113.1	Y292 P294 N295 E296 D300 D301 L304 Y305 N308	Y292-E298 WeakPolarHBondContact CE1-OE2 3.25Å; Y292-E298 PolarHBondContact OH-OE1 3.05Å; P294-E298 VanDerWaalsContact CA-OE2 3.3Å; P294-E298 WeakPolarHBondContact CA-OE2 3.38Å; P294-E298 HydrophobicContact CB-CB 3.88Å; N295-E298 PolarHBondContact N-OE2 3.34Å; N295-E298 PolarHBondContact ND2-OE2 3.41Å; N295-E298 PolarHBondContact O-N 3.4Å; N295-E298 VanDerWaalsContact O-N 3.15Å; N295-E298 WeakPolarHBondContact OD1-CG 3.48Å; N295-E298 PolarHBondContact OD1-N 3.16Å; E296-E298 VanDerWaalsContact C-N 3.34Å; E296-E298 PolarHBondContact O-N 3Å; E298-D300 VanDerWaalsContact C-N 3.32Å; E298-D301 CarbonylContact O-C 3.51Å; E298-D301 VanDerWaalsContact O-C 3.28Å; E298-L304 HydrophobicContact CG-CD2 4.24Å; E298-L304 HydrophobicContact CG-CG 4.12Å; E298-Y305 HydrophobicContact CB-CG 4.32Å; E298-N308 WeakPolarHBondContact OE1-CB 3.5Å; E298-N308 PolarHBondContact OE1-ND2 3.19Å
299	K	94.4	Very high	97.1	Very high	67 Å²	67	56.6 Å²	56.6	29%	0.291	31%	0.31	S	S	.	.	H	α-helix	trans	-67.2	-38.5	170.5	-71.1	173.9	-173.8	170.2	0	110.3	R243 P294 N295 E296	R243-K299 HydrophobicContact CB-CG 4.27Å; R243-K299 VanDerWaalsContact CD-O 3.24Å; R243-K299 WeakPolarHBondContact CD-O 3.36Å; R243-K299 HydrophobicContact CG-CB 4.5Å; R243-K299 PolarHBondContact NE-O 3.2Å; P294-K299 HydrophobicContact CB-CG 4.24Å; P294-K299 HydrophobicContact CG-CG 4.27Å; P294-K299 VanDerWaalsContact O-CE 3.32Å; P294-K299 WeakPolarHBondContact O-CE 3.3Å; N295-K299 VanDerWaalsContact O-CG 3.32Å; N295-K299 WeakPolarHBondContact O-CG 3.44Å; N295-K299 PolarHBondContact O-N 3.3Å; E296-K299 WeakPolarHBondContact O-CB 3.42Å; E296-K299 PolarHBondContact O-N 3.26Å; E296-K299 IonicContact OE1-NZ 2.71Å; E296-K299 PolarHBondContact OE1-NZ 2.94Å; E296-K299 IonicContact OE2-NZ 3.73Å
300	D	95.2	Very high	97.1	Very high	132 Å²	132	55.8 Å²	55.8	71%	0.706	31%	0.306	S	S	*	.	H	α-helix	trans	-75.1	-33.9	176.7	-69.9	-22	0	0	0	112.4	E296 A297 E298	E296-D300 PolarHBondContact O-N 2.75Å; A297-D300 PolarHBondContact O-N 3.42Å; E298-D300 VanDerWaalsContact C-N 3.32Å
301	D	96.1	Very high	97.1	Very high	72 Å²	72	52.1 Å²	52.1	39%	0.385	28%	0.283	S	S	.	.			trans	-121	99.3	178.5	-173.1	-5.5	0	0	0	113	A297 E298 L303 L304 Y305	A297-D301 PolarHBondContact O-N 3.38Å; E298-D301 CarbonylContact O-C 3.51Å; E298-D301 VanDerWaalsContact O-C 3.28Å; D301-L303 VanDerWaalsContact C-N 3.25Å; D301-L303 PolarHBondContact O-N 3.45Å; D301-L303 WeakPolarHBondContact OD1-CA 3.48Å; D301-L303 VanDerWaalsContact OD1-CB 3.27Å; D301-L303 WeakPolarHBondContact OD1-CB 3.43Å; D301-L303 PolarHBondContact OD1-N 3.1Å; D301-L304 HydrophobicContact CB-CB 3.8Å; D301-L304 WeakPolarHBondContact O-CB 3.36Å; D301-L304 PolarHBondContact O-N 3.33Å; D301-L304 PolarHBondContact OD1-N 3.18Å; D301-L304 VanDerWaalsContact OD1-N 3.16Å; D301-Y305 PolarHBondContact O-N 3.32Å
302	A	95.3	Very high	97.1	Very high	20 Å²	20	52.5 Å²	52.5	17%	0.165	28%	0.282	C	S	.	.	H	α-helix	trans	-65.5	-24.6	176.8	0	0	0	0	0	113.7	L237 A306	L237-A302 HydrophobicContact CD2-CB 4.27Å; L237-A302 WeakPolarHBondContact CD2-O 3.42Å; A302-A306 WeakPolarHBondContact O-CB 3.39Å; A302-A306 PolarHBondContact O-N 3.44Å
303	L	95.8	Very high	97.1	Very high	109 Å²	109	50.1 Å²	50.1	57%	0.571	27%	0.273	S	S	*	.	H	α-helix	trans	-70.8	-43.4	173.6	-72.4	162	0	0	0	110.1	L237 D301 Y305 A306 H307	L237-L303 HydrophobicContact CD1-CD2 3.84Å; L237-L303 HydrophobicContact CD1-CG 3.93Å; L237-L303 HydrophobicContact CD2-CB 4.34Å; L237-L303 HydrophobicContact CD2-CD2 3.55Å; L237-L303 HydrophobicContact CD2-CG 3.85Å; L237-L303 HydrophobicContact CG-CD2 3.94Å; L237-L303 HydrophobicContact CG-CG 4.39Å; D301-L303 VanDerWaalsContact C-N 3.25Å; D301-L303 PolarHBondContact O-N 3.45Å; D301-L303 WeakPolarHBondContact OD1-CA 3.48Å; D301-L303 VanDerWaalsContact OD1-CB 3.27Å; D301-L303 WeakPolarHBondContact OD1-CB 3.43Å; D301-L303 PolarHBondContact OD1-N 3.1Å; L303-Y305 VanDerWaalsContact C-N 3.32Å; L303-Y305 PolarHBondContact O-N 3.3Å; L303-A306 PolarHBondContact O-N 2.89Å; L303-H307 VanDerWaalsContact O-CB 3.27Å; L303-H307 WeakPolarHBondContact O-CB 3.33Å; L303-H307 PolarHBondContact O-N 3.12Å
304	L	97.3	Very high	97.1	Very high	62 Å²	62	45.7 Å²	45.7	33%	0.325	25%	0.247	S	C	.	.	H	α-helix	trans	-58.9	-45.2	173.5	-178.7	61.8	0	0	0	111	A297 E298 D301 A306 H307 N308	A297-L304 HydrophobicContact CB-CD2 4.19Å; E298-L304 HydrophobicContact CG-CD2 4.24Å; E298-L304 HydrophobicContact CG-CG 4.12Å; D301-L304 HydrophobicContact CB-CB 3.8Å; D301-L304 WeakPolarHBondContact O-CB 3.36Å; D301-L304 PolarHBondContact O-N 3.33Å; D301-L304 PolarHBondContact OD1-N 3.18Å; D301-L304 VanDerWaalsContact OD1-N 3.16Å; L304-A306 PolarHBondContact O-N 3.12Å; L304-H307 WeakPolarHBondContact O-CB 3.4Å; L304-H307 PolarHBondContact O-N 3.42Å; L304-N308 PolarHBondContact O-N 3.27Å
305	Y	98.1	Very high	97.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-50.3	175.9	-174.2	-164.1	0	0	0	112	F240 L244 V246 Y292 P294 E298 D301 L303 H307 N308 V309	F240-Y305 HydrophobicContact CB-CD1 3.66Å; F240-Y305 HydrophobicContact CB-CE1 4.25Å; F240-Y305 HydrophobicContact CB-CG 4.18Å; F240-Y305 AromaticContact CD1-CD1 3.77Å; F240-Y305 HydrophobicContact CD1-CD1 3.77Å; F240-Y305 HydrophobicContact CD1-CD2 4.12Å; F240-Y305 AromaticContact CD1-CE1 3.88Å; F240-Y305 HydrophobicContact CD1-CE1 3.88Å; F240-Y305 HydrophobicContact CD1-CE2 4.16Å; F240-Y305 AromaticContact CD1-CG 3.91Å; F240-Y305 HydrophobicContact CD1-CG 3.91Å; F240-Y305 HydrophobicContact CG-CD1 4.21Å; F240-Y305 HydrophobicContact CG-CG 4.45Å; L244-Y305 PolarHBondContact O-OH 3.44Å; V246-Y305 WeakPolarHBondContact CG1-OH 3.42Å; V246-Y305 HydrophobicContact CG2-CE2 4.36Å; V246-Y305 WeakPolarHBondContact CG2-OH 3.16Å; V246-Y305 PolarHBondContact N-OH 2.93Å; Y292-Y305 HydrophobicContact CD1-CD2 4.08Å; Y292-Y305 AromaticContact CD1-CE2 3.36Å; Y292-Y305 HydrophobicContact CD1-CE2 3.36Å; Y292-Y305 AromaticContact CE1-CD2 3.84Å; Y292-Y305 HydrophobicContact CE1-CD2 3.84Å; Y292-Y305 AromaticContact CE1-CE2 3.62Å; Y292-Y305 HydrophobicContact CE1-CE2 3.62Å; Y292-Y305 HydrophobicContact CG-CE2 4.36Å; Y292-Y305 PolarHBondContact O-OH 3.13Å; P294-Y305 HydrophobicContact CB-CD1 3.99Å; P294-Y305 HydrophobicContact CB-CD2 4.14Å; P294-Y305 HydrophobicContact CB-CE1 3.85Å; P294-Y305 HydrophobicContact CB-CE2 4.06Å; P294-Y305 HydrophobicContact CB-CG 4.13Å; P294-Y305 HydrophobicContact CG-CD1 4.42Å; P294-Y305 HydrophobicContact CG-CE1 3.87Å; E298-Y305 HydrophobicContact CB-CG 4.32Å; D301-Y305 PolarHBondContact O-N 3.32Å; L303-Y305 VanDerWaalsContact C-N 3.32Å; L303-Y305 PolarHBondContact O-N 3.3Å; Y305-H307 VanDerWaalsContact C-N 3.29Å; Y305-H307 PolarHBondContact O-N 2.91Å; Y305-N308 PolarHBondContact O-N 3.21Å; Y305-V309 HydrophobicContact CD2-CG2 3.7Å; Y305-V309 HydrophobicContact CE2-CG2 3.39Å; Y305-V309 WeakPolarHBondContact O-CG2 3.14Å; Y305-V309 PolarHBondContact O-N 3.43Å
306	A	97.5	Very high	97.2	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.033	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-40.4	177.7	0	0	0	0	0	112	F235 L237 F240 A302 L303 L304 R310	F235-A306 HydrophobicContact CB-CB 4.23Å; L237-A306 HydrophobicContact CD2-CB 4.05Å; F240-A306 HydrophobicContact CB-CB 4.31Å; F240-A306 HydrophobicContact CD1-CB 4.36Å; F240-A306 HydrophobicContact CD2-CB 3.38Å; F240-A306 HydrophobicContact CE2-CB 3.7Å; F240-A306 HydrophobicContact CG-CB 3.74Å; F240-A306 HydrophobicContact CZ-CB 4.32Å; A302-A306 WeakPolarHBondContact O-CB 3.39Å; A302-A306 PolarHBondContact O-N 3.44Å; L303-A306 PolarHBondContact O-N 2.89Å; L304-A306 PolarHBondContact O-N 3.12Å; A306-R310 VanDerWaalsContact O-CB 3.23Å; A306-R310 WeakPolarHBondContact O-CB 3.36Å; A306-R310 PolarHBondContact O-N 3.36Å
307	H	97.4	Very high	97.3	Very high	84 Å²	84	43.9 Å²	43.9	39%	0.389	24%	0.242	S	C	.	.	H	α-helix	trans	-63.7	-45.7	178.6	179.4	-83.8	0	0	0	112.1	L303 L304 Y305 R310 S311	L303-H307 VanDerWaalsContact O-CB 3.27Å; L303-H307 WeakPolarHBondContact O-CB 3.33Å; L303-H307 PolarHBondContact O-N 3.12Å; L304-H307 WeakPolarHBondContact O-CB 3.4Å; L304-H307 PolarHBondContact O-N 3.42Å; Y305-H307 VanDerWaalsContact C-N 3.29Å; Y305-H307 PolarHBondContact O-N 2.91Å; H307-R310 PolarHBondContact CD2-NH2 2.88Å; H307-R310 VanDerWaalsContact CD2-NH2 3.26Å; H307-R310 PolarHBondContact NE2-NH2 2.69Å; H307-R310 PolarHBondContact O-N 2.96Å; H307-S311 PolarHBondContact CE1-OG 3.12Å; H307-S311 WeakPolarHBondContact O-CB 3.26Å; H307-S311 PolarHBondContact O-N 3.48Å; H307-S311 PolarHBondContact O-OG 3.38Å
308	N	98.1	Very high	97.3	Very high	45 Å²	45	52 Å²	52	24%	0.241	26%	0.26	C	S	.	.	H	α-helix	trans	-69.5	-43	-178.6	-68.4	-15.7	0	0	0	111.5	Y292 E298 L304 Y305 R310 S311 I312	Y292-N308 WeakPolarHBondContact OH-CB 3.44Å; E298-N308 WeakPolarHBondContact OE1-CB 3.5Å; E298-N308 PolarHBondContact OE1-ND2 3.19Å; L304-N308 PolarHBondContact O-N 3.27Å; Y305-N308 PolarHBondContact O-N 3.21Å; N308-R310 VanDerWaalsContact C-N 3.34Å; N308-R310 PolarHBondContact O-N 3.31Å; N308-S311 WeakPolarHBondContact O-CB 3.44Å; N308-S311 PolarHBondContact O-N 3.23Å; N308-S311 VanDerWaalsContact O-N 3.13Å; N308-I312 PolarHBondContact O-N 3.38Å
309	V	98.4	Very high	97.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-43.2	173.2	174.1	0	0	0	0	111.2	V138 F240 V246 P248 Y292 Y305 S311 I312 M313	V138-V309 HydrophobicContact CG1-CG1 4.38Å; F240-V309 HydrophobicContact CD1-CG2 4.46Å; F240-V309 HydrophobicContact CE1-CB 3.74Å; F240-V309 HydrophobicContact CE1-CG1 3.86Å; F240-V309 HydrophobicContact CE1-CG2 3.88Å; F240-V309 HydrophobicContact CZ-CB 4.25Å; F240-V309 HydrophobicContact CZ-CG1 4.15Å; V246-V309 HydrophobicContact CG2-CG1 4.41Å; V246-V309 HydrophobicContact CG2-CG2 4.15Å; P248-V309 HydrophobicContact CB-CG1 4.37Å; P248-V309 HydrophobicContact CG-CG1 4.06Å; Y292-V309 HydrophobicContact CD1-CG2 3.91Å; Y292-V309 HydrophobicContact CD2-CG2 4.28Å; Y292-V309 HydrophobicContact CE1-CG2 4.16Å; Y292-V309 HydrophobicContact CG-CG2 3.91Å; Y305-V309 HydrophobicContact CD2-CG2 3.7Å; Y305-V309 HydrophobicContact CE2-CG2 3.39Å; Y305-V309 WeakPolarHBondContact O-CG2 3.14Å; Y305-V309 PolarHBondContact O-N 3.43Å; V309-S311 VanDerWaalsContact C-N 3.29Å; V309-S311 PolarHBondContact O-N 2.82Å; V309-I312 WeakPolarHBondContact O-CG1 3.31Å; V309-I312 PolarHBondContact O-N 2.68Å; V309-M313 HydrophobicContact CG1-CG 4.5Å; V309-M313 HydrophobicContact CG1-SD 4Å; V309-M313 VanDerWaalsContact O-CG 3.24Å; V309-M313 WeakPolarHBondContact O-CG 3.31Å; V309-M313 PolarHBondContact O-N 3.21Å; V309-M313 VanDerWaalsContact O-N 3.13Å
310	R	98.3	Very high	97.3	Very high	8 Å²	8	52.2 Å²	52.2	3%	0.03	27%	0.268	C	S	.	.	H	α-helix	trans	-59.1	-41.6	173.8	-176.2	-178.2	63.4	141.1	-0.8	111.9	L232 I233 F235 A306 H307 N308 M313 A314 T321 S322 D323	L232-R310 HydrophobicContact CB-CG 4.05Å; L232-R310 HydrophobicContact CD1-CG 4.14Å; I233-R310 WeakPolarHBondContact O-CD 3.08Å; F235-R310 HydrophobicContact CD1-CB 4.33Å; F235-R310 HydrophobicContact CD1-CG 4.05Å; F235-R310 HydrophobicContact CD2-CB 3.66Å; F235-R310 HydrophobicContact CD2-CG 4.25Å; F235-R310 HydrophobicContact CE1-CB 4.29Å; F235-R310 HydrophobicContact CE1-CG 3.84Å; F235-R310 HydrophobicContact CE2-CB 3.61Å; F235-R310 HydrophobicContact CE2-CG 4.06Å; F235-R310 HydrophobicContact CG-CB 4.04Å; F235-R310 HydrophobicContact CG-CG 4.26Å; F235-R310 HydrophobicContact CZ-CB 3.95Å; F235-R310 HydrophobicContact CZ-CG 3.86Å; A306-R310 VanDerWaalsContact O-CB 3.23Å; A306-R310 WeakPolarHBondContact O-CB 3.36Å; A306-R310 PolarHBondContact O-N 3.36Å; H307-R310 PolarHBondContact CD2-NH2 2.88Å; H307-R310 VanDerWaalsContact CD2-NH2 3.26Å; H307-R310 PolarHBondContact NE2-NH2 2.69Å; H307-R310 PolarHBondContact O-N 2.96Å; N308-R310 VanDerWaalsContact C-N 3.34Å; N308-R310 PolarHBondContact O-N 3.31Å; R310-M313 PolarHBondContact O-N 2.93Å; R310-A314 VanDerWaalsContact O-CB 3.32Å; R310-A314 WeakPolarHBondContact O-CB 3.21Å; R310-A314 PolarHBondContact O-N 2.95Å; R310-T321 HydrophobicContact CG-CG2 4.05Å; R310-S322 PolarHBondContact NH1-O 3.33Å; R310-D323 IonicContact NH2-OD1 3.71Å
311	S	98.2	Very high	97.3	Very high	31 Å²	31	48.8 Å²	48.8	22%	0.217	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-43.1	-177.8	-60.6	0	0	0	0	112.1	H307 N308 V309 M313 A314 N315	H307-S311 PolarHBondContact CE1-OG 3.12Å; H307-S311 WeakPolarHBondContact O-CB 3.26Å; H307-S311 PolarHBondContact O-N 3.48Å; H307-S311 PolarHBondContact O-OG 3.38Å; N308-S311 WeakPolarHBondContact O-CB 3.44Å; N308-S311 PolarHBondContact O-N 3.23Å; N308-S311 VanDerWaalsContact O-N 3.13Å; V309-S311 VanDerWaalsContact C-N 3.29Å; V309-S311 PolarHBondContact O-N 2.82Å; S311-M313 VanDerWaalsContact C-N 3.34Å; S311-M313 PolarHBondContact O-N 3.18Å; S311-A314 PolarHBondContact O-N 3.21Å; S311-N315 VanDerWaalsContact O-CG 3.28Å; S311-N315 PolarHBondContact O-N 2.82Å; S311-N315 PolarHBondContact O-ND2 3.2Å
312	I	98.3	Very high	97.1	Very high	56 Å²	56	46 Å²	46	29%	0.287	24%	0.238	S	C	.	.	H	α-helix	trans	-67	-35.8	175.8	62.8	169.9	0	0	0	112.1	P248 Y292 N308 V309 N315 C316	P248-I312 HydrophobicContact CG-CD1 3.82Å; Y292-I312 HydrophobicContact CD2-CD1 3.46Å; Y292-I312 VanDerWaalsContact CD2-CD1 3.46Å; Y292-I312 HydrophobicContact CE2-CD1 3.96Å; Y292-I312 HydrophobicContact CG-CD1 4.4Å; N308-I312 PolarHBondContact O-N 3.38Å; V309-I312 WeakPolarHBondContact O-CG1 3.31Å; V309-I312 PolarHBondContact O-N 2.68Å; I312-N315 PolarHBondContact O-N 2.7Å; I312-C316 PolarHBondContact O-N 2.6Å
313	M	98.6	Very high	96.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68.3	-42.5	175.7	-67.3	178.3	88.9	0	0	111.1	V138 A140 L232 F235 P248 V249 L289 V309 R310 S311 N315 C316 L317	V138-M313 HydrophobicContact CG1-CE 4.38Å; V138-M313 HydrophobicContact CG1-SD 4.01Å; V138-M313 VanDerWaalsContact O-CE 3.25Å; V138-M313 WeakPolarHBondContact O-CE 3.35Å; A140-M313 HydrophobicContact CB-CE 3.42Å; A140-M313 VanDerWaalsContact CB-CE 3.42Å; A140-M313 HydrophobicContact CB-SD 4.2Å; L232-M313 HydrophobicContact CD1-CB 3.83Å; F235-M313 HydrophobicContact CE2-SD 3.74Å; F235-M313 HydrophobicContact CZ-SD 3.88Å; P248-M313 HydrophobicContact CB-CE 4.15Å; P248-M313 HydrophobicContact CB-CG 3.67Å; P248-M313 HydrophobicContact CB-SD 3.88Å; V249-M313 WeakPolarHBondContact O-CE 2.96Å; L289-M313 HydrophobicContact CD1-CG 4.38Å; V309-M313 HydrophobicContact CG1-CG 4.5Å; V309-M313 HydrophobicContact CG1-SD 4Å; V309-M313 VanDerWaalsContact O-CG 3.24Å; V309-M313 WeakPolarHBondContact O-CG 3.31Å; V309-M313 PolarHBondContact O-N 3.21Å; V309-M313 VanDerWaalsContact O-N 3.13Å; R310-M313 PolarHBondContact O-N 2.93Å; S311-M313 VanDerWaalsContact C-N 3.34Å; S311-M313 PolarHBondContact O-N 3.18Å; M313-N315 VanDerWaalsContact C-N 3.31Å; M313-N315 PolarHBondContact O-N 2.74Å; M313-C316 WeakPolarHBondContact O-CB 3.18Å; M313-C316 PolarHBondContact O-N 2.83Å; M313-L317 WeakPolarHBondContact O-CB 3.47Å; M313-L317 VanDerWaalsContact O-CG 3.27Å; M313-L317 WeakPolarHBondContact O-CG 3.39Å; M313-L317 PolarHBondContact O-N 3.2Å
314	A	98.2	Very high	96.8	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.033	23%	0.231	C	C	.	.	H	α-helix	trans	-59	-42.3	175.2	0	0	0	0	0	111.5	L232 R310 S311 L317 R318 V319 T321	L232-A314 HydrophobicContact CD1-CB 4.07Å; R310-A314 VanDerWaalsContact O-CB 3.32Å; R310-A314 WeakPolarHBondContact O-CB 3.21Å; R310-A314 PolarHBondContact O-N 2.95Å; S311-A314 PolarHBondContact O-N 3.21Å; A314-L317 CarbonylContact O-C 3.57Å; A314-L317 PolarHBondContact O-N 2.71Å; A314-R318 WeakPolarHBondContact O-CA 3.46Å; A314-R318 PolarHBondContact O-N 2.66Å; A314-V319 WeakPolarHBondContact CB-O 3.4Å; A314-V319 PolarHBondContact O-N 3.28Å; A314-V319 VanDerWaalsContact O-N 3.12Å; A314-T321 HydrophobicContact CB-CG2 3.55Å
315	N	98.2	Very high	96.6	Very high	126 Å²	126	43.1 Å²	43.1	67%	0.674	22%	0.222	S	C	*	.	H	α-helix	trans	-63.1	-44.2	174.5	-71.9	-23.7	0	0	0	112.4	S311 I312 M313 L317 R318	S311-N315 VanDerWaalsContact O-CG 3.28Å; S311-N315 PolarHBondContact O-N 2.82Å; S311-N315 PolarHBondContact O-ND2 3.2Å; I312-N315 PolarHBondContact O-N 2.7Å; M313-N315 VanDerWaalsContact C-N 3.31Å; M313-N315 PolarHBondContact O-N 2.74Å; N315-L317 PolarHBondContact O-N 3.04Å; N315-R318 PolarHBondContact O-N 2.95Å
316	C	98.1	Very high	96.2	Very high	19 Å²	19	46.1 Å²	46.1	13%	0.128	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-44.1	174.9	174.1	0	0	0	0	112.1	C250 K252 L289 I312 M313 R318	C250-C316 HydrophobicContact CB-CB 4.49Å; K252-C316 VanDerWaalsContact CE-O 3.3Å; K252-C316 WeakPolarHBondContact CE-O 3.29Å; K252-C316 PolarHBondContact NZ-O 3.28Å; L289-C316 HydrophobicContact CD1-CB 3.93Å; L289-C316 HydrophobicContact CD2-CB 4.07Å; I312-C316 PolarHBondContact O-N 2.6Å; M313-C316 WeakPolarHBondContact O-CB 3.18Å; M313-C316 PolarHBondContact O-N 2.83Å; C316-R318 VanDerWaalsContact C-N 3.28Å; C316-R318 PolarHBondContact O-N 3.5Å
317	L	97.7	Very high	95.8	Very high	26 Å²	26	50.6 Å²	50.6	14%	0.136	25%	0.254	C	S	.	.	H	α-helix	trans	-74.7	-17.4	179.2	-68.2	167.9	0	0	0	113.2	L232 C250 K252 M313 A314 N315 V319	L232-L317 HydrophobicContact CD1-CD1 3.93Å; L232-L317 HydrophobicContact CD2-CD1 3.89Å; L232-L317 HydrophobicContact CG-CD1 4.06Å; C250-L317 HydrophobicContact CB-CD2 3.78Å; C250-L317 HydrophobicContact CB-CG 4.02Å; K252-L317 HydrophobicContact CD-CD2 4.46Å; K252-L317 HydrophobicContact CG-CD2 3.66Å; M313-L317 WeakPolarHBondContact O-CB 3.47Å; M313-L317 VanDerWaalsContact O-CG 3.27Å; M313-L317 WeakPolarHBondContact O-CG 3.39Å; M313-L317 PolarHBondContact O-N 3.2Å; A314-L317 CarbonylContact O-C 3.57Å; A314-L317 PolarHBondContact O-N 2.71Å; N315-L317 PolarHBondContact O-N 3.04Å; L317-V319 VanDerWaalsContact C-N 3.32Å; L317-V319 HydrophobicContact CB-CG1 4.4Å; L317-V319 HydrophobicContact CB-CG2 3.8Å; L317-V319 HydrophobicContact CD1-CG2 4.42Å
318	R	96.7	Very high	95.5	Very high	225 Å²	225	47.7 Å²	47.7	85%	0.849	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	41.9	-173.5	-54.9	179.6	179.9	179.7	-1.6	112.7	A314 N315 C316	A314-R318 WeakPolarHBondContact O-CA 3.46Å; A314-R318 PolarHBondContact O-N 2.66Å; N315-R318 PolarHBondContact O-N 2.95Å; C316-R318 VanDerWaalsContact C-N 3.28Å; C316-R318 PolarHBondContact O-N 3.5Å
319	V	95.7	Very high	95.1	Very high	31 Å²	31	45.6 Å²	45.6	19%	0.188	23%	0.23	C	C	.	.			trans	-124.3	150	178	-59.9	0	0	0	0	110	L232 A314 L317	L232-V319 HydrophobicContact CG-CG2 4.18Å; A314-V319 WeakPolarHBondContact CB-O 3.4Å; A314-V319 PolarHBondContact O-N 3.28Å; A314-V319 VanDerWaalsContact O-N 3.12Å; L317-V319 VanDerWaalsContact C-N 3.32Å; L317-V319 HydrophobicContact CB-CG1 4.4Å; L317-V319 HydrophobicContact CB-CG2 3.8Å; L317-V319 HydrophobicContact CD1-CG2 4.42Å
320	P	95.8	Very high	94.7	Very high	43 Å²	43	48.2 Å²	48.2	28%	0.279	25%	0.248	S	C	.	.			trans	-66.8	162.9	173.7	28.4	-35.3	0	0	0	111.8	V16 T230 Q231 L232	V16-P320 HydrophobicContact CG1-CG 3.94Å; V16-P320 HydrophobicContact CG2-CG 3.88Å; T230-P320 WeakPolarHBondContact O-CD 3.32Å; Q231-P320 CarbonylContact C-O 3.44Å; Q231-P320 WeakPolarHBondContact CA-O 3.39Å; Q231-P320 HydrophobicContact CB-CG 4.06Å; Q231-P320 VanDerWaalsContact CB-O 3.3Å; Q231-P320 WeakPolarHBondContact CB-O 3.48Å; L232-P320 PolarHBondContact N-O 3.3Å
321	T	95.2	Very high	94.2	Very high	59 Å²	59	50.2 Å²	50.2	36%	0.362	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-96.7	155.2	166.3	51.8	0	0	0	0	110.1	L232 R310 A314	L232-T321 CarbonylContact O-C 3.55Å; L232-T321 WeakPolarHBondContact O-CA 3.42Å; R310-T321 HydrophobicContact CG-CG2 4.05Å; A314-T321 HydrophobicContact CB-CG2 3.55Å
322	S	92.2	Very high	93.8	Very high	14 Å²	14	48.8 Å²	48.8	10%	0.098	25%	0.246	C	C	.	.			trans	-139.4	154.2	168.3	68.8	0	0	0	0	111.9	Q231 L232 I233 S234 R310 Y324	Q231-S322 PolarHBondContact OE1-OG 3.14Å; L232-S322 PolarHBondContact O-N 2.89Å; I233-S322 CarbonylContact C-O 3.55Å; S234-S322 PolarHBondContact N-O 3.33Å; R310-S322 PolarHBondContact NH1-O 3.33Å; S322-Y324 PolarHBondContact O-N 2.55Å
323	D	91.1	Very high	93.1	Very high	107 Å²	107	46.3 Å²	46.3	57%	0.572	23%	0.233	S	C	*	.			trans	-86.1	9.6	-178.3	-48.3	-43.4	0	0	0	112.7	S234 R310 R416	S234-D323 WeakPolarHBondContact OG-CA 3.13Å; S234-D323 PolarHBondContact OG-O 3.32Å; R310-D323 IonicContact NH2-OD1 3.71Å; D323-R416 PolarHBondContact O-NH2 3.39Å
324	Y	93.2	Very high	92	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.016	24%	0.237	C	C	.	.			trans	-67	156.1	172.3	-63.8	-70	0	0	0	109.2	I233 S234 S322 D328 L332 D411 C414 R416	I233-Y324 WeakPolarHBondContact CB-O 3.28Å; S234-Y324 VanDerWaalsContact CB-O 3.26Å; S234-Y324 WeakPolarHBondContact CB-O 3.23Å; S234-Y324 PolarHBondContact N-O 2.9Å; S234-Y324 PolarHBondContact OG-O 3.05Å; S322-Y324 PolarHBondContact O-N 2.55Å; Y324-D328 HydrophobicContact CD1-CB 4.47Å; Y324-L332 HydrophobicContact CD1-CD1 3.68Å; Y324-L332 HydrophobicContact CE1-CD1 4.12Å; Y324-L332 HydrophobicContact CE1-CD2 4.28Å; Y324-L332 HydrophobicContact CG-CD1 4.26Å; Y324-D411 PolarHBondContact OH-OD2 3.22Å; Y324-C414 HydrophobicContact CD2-CB 4.23Å; Y324-C414 HydrophobicContact CE2-CB 3.48Å; Y324-C414 VanDerWaalsContact CE2-CB 3.48Å; Y324-C414 WeakPolarHBondContact OH-CA 3.46Å; Y324-C414 PolarHBondContact OH-O 3.38Å; Y324-R416 VanDerWaalsContact N-NH2 3.11Å; Y324-R416 WeakPolarHBondContact OH-CD 3.3Å; Y324-R416 PolarHBondContact OH-N 3.12Å; Y324-R416 PolarHBondContact OH-NE 3.33Å
325	S	92.6	Very high	90.2	Very high	20 Å²	20	48.7 Å²	48.7	14%	0.14	25%	0.251	C	S	.	.			trans	-138.9	169.5	-176.4	67	0	0	0	0	110.4	E327 D328 A329	S325-E327 WeakPolarHBondContact CB-OE2 3.11Å; S325-E327 PolarHBondContact O-N 3Å; S325-E327 PolarHBondContact OG-OE2 3.04Å; S325-D328 PolarHBondContact N-OD2 2.86Å; S325-D328 WeakPolarHBondContact O-CB 3.35Å; S325-D328 PolarHBondContact O-N 3.45Å; S325-D328 PolarHBondContact OG-OD2 2.88Å; S325-A329 PolarHBondContact O-N 3.05Å
326	Y	90.7	Very high	88.1	Confident	63 Å²	63	47 Å²	47	25%	0.247	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-36	171.9	165.9	-102.1	0	0	0	113.2	T225 W264 D328 A329 P330	T225-Y326 HydrophobicContact CG2-CD2 4.22Å; W264-Y326 HydrophobicContact CH2-CE2 4.05Å; W264-Y326 AromaticContact CZ2-CD2 3.86Å; W264-Y326 HydrophobicContact CZ2-CD2 3.86Å; W264-Y326 AromaticContact CZ2-CE2 3.53Å; W264-Y326 HydrophobicContact CZ2-CE2 3.53Å; Y326-D328 PolarHBondContact O-N 2.86Å; Y326-A329 PolarHBondContact O-N 3.14Å; Y326-P330 WeakPolarHBondContact O-CD 3.23Å
327	E	89.1	Confident	86.2	Confident	98 Å²	98	54.7 Å²	54.7	46%	0.458	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.6	-179.6	-68.1	73	-162.3	0	0	112.6	K236 S325 Y331	K236-E327 IonicContact NZ-OE1 2.88Å; K236-E327 PolarHBondContact NZ-OE1 3.34Å; K236-E327 IonicContact NZ-OE2 2.69Å; K236-E327 PolarHBondContact NZ-OE2 3.39Å; S325-E327 WeakPolarHBondContact CB-OE2 3.11Å; S325-E327 PolarHBondContact O-N 3Å; S325-E327 PolarHBondContact OG-OE2 3.04Å; E327-Y331 WeakPolarHBondContact O-CD2 3.43Å; E327-Y331 WeakPolarHBondContact O-CE2 3.46Å
328	D	91.2	Very high	84.5	Confident	23 Å²	23	56.6 Å²	56.6	12%	0.123	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-30.2	178.6	-55.6	-50.8	0	0	0	112	Y324 S325 Y326 P330 Y331 L332 N408	Y324-D328 HydrophobicContact CD1-CB 4.47Å; S325-D328 PolarHBondContact N-OD2 2.86Å; S325-D328 WeakPolarHBondContact O-CB 3.35Å; S325-D328 PolarHBondContact O-N 3.45Å; S325-D328 PolarHBondContact OG-OD2 2.88Å; Y326-D328 PolarHBondContact O-N 2.86Å; D328-P330 VanDerWaalsContact C-CD 3.45Å; D328-Y331 PolarHBondContact O-N 3.4Å; D328-L332 HydrophobicContact CB-CD1 3.73Å; D328-L332 HydrophobicContact CB-CG 4.44Å; D328-L332 WeakPolarHBondContact O-CG 3.45Å; D328-L332 PolarHBondContact O-N 2.93Å; D328-N408 PolarHBondContact OD1-ND2 3.23Å
329	A	90.5	Very high	83.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-52.3	-42.3	-172.9	0	0	0	0	0	114.5	F20 W264 S325 Y326 Y331 L332 S333	F20-A329 HydrophobicContact CD1-CB 3.66Å; F20-A329 HydrophobicContact CD2-CB 4.23Å; F20-A329 HydrophobicContact CE1-CB 3.63Å; F20-A329 HydrophobicContact CE2-CB 4.21Å; F20-A329 HydrophobicContact CG-CB 3.96Å; F20-A329 HydrophobicContact CZ-CB 3.91Å; W264-A329 HydrophobicContact CD2-CB 3.97Å; W264-A329 HydrophobicContact CG-CB 4.11Å; W264-A329 HydrophobicContact CZ2-CB 3.98Å; S325-A329 PolarHBondContact O-N 3.05Å; Y326-A329 PolarHBondContact O-N 3.14Å; A329-Y331 VanDerWaalsContact C-N 3.26Å; A329-Y331 PolarHBondContact O-N 2.93Å; A329-L332 PolarHBondContact O-N 2.91Å; A329-S333 WeakPolarHBondContact O-CB 3.41Å; A329-S333 PolarHBondContact O-N 3.13Å; A329-S333 PolarHBondContact O-OG 2.77Å
330	P	88.5	Confident	83.1	Confident	56 Å²	56	45 Å²	45	36%	0.364	24%	0.241	S	C	.	.	H	α-helix	trans	-63.6	-27.8	177.2	-23.1	34.7	0	0	0	114.4	W264 Y326 D328 R339	W264-P330 HydrophobicContact CH2-CG 3.93Å; W264-P330 HydrophobicContact CZ3-CG 4.03Å; Y326-P330 WeakPolarHBondContact O-CD 3.23Å; D328-P330 VanDerWaalsContact C-CD 3.45Å; P330-R339 PolarHBondContact O-NH2 3.48Å
331	Y	89.2	Confident	82.7	Confident	49 Å²	49	47 Å²	47	19%	0.192	25%	0.25	C	C	.	.	H	α-helix	trans	-87	-30.7	179.1	-54.5	-79.2	0	0	0	110.8	E327 D328 A329 R339 V342 L346 R405 N408 M409	E327-Y331 WeakPolarHBondContact O-CD2 3.43Å; E327-Y331 WeakPolarHBondContact O-CE2 3.46Å; D328-Y331 PolarHBondContact O-N 3.4Å; A329-Y331 VanDerWaalsContact C-N 3.26Å; A329-Y331 PolarHBondContact O-N 2.93Å; Y331-R339 VanDerWaalsContact O-CZ 3.29Å; Y331-R339 PolarHBondContact O-NH1 2.75Å; Y331-R339 VanDerWaalsContact O-NH1 3.12Å; Y331-R339 PolarHBondContact O-NH2 2.98Å; Y331-V342 HydrophobicContact CE1-CG1 3.97Å; Y331-L346 HydrophobicContact CD1-CD1 4.28Å; Y331-L346 HydrophobicContact CE1-CD1 4.03Å; Y331-R405 HydrophobicContact CD1-CB 3.95Å; Y331-R405 HydrophobicContact CD2-CB 4.16Å; Y331-R405 HydrophobicContact CD2-CG 3.98Å; Y331-R405 HydrophobicContact CE1-CB 3.82Å; Y331-R405 HydrophobicContact CE1-CG 4.12Å; Y331-R405 HydrophobicContact CE2-CB 4.04Å; Y331-R405 HydrophobicContact CE2-CG 3.54Å; Y331-R405 HydrophobicContact CG-CB 4.13Å; Y331-R405 HydrophobicContact CG-CG 4.46Å; Y331-R405 WeakPolarHBondContact OH-CD 3.34Å; Y331-N408 CarbonylContact C-O 3.6Å; Y331-N408 VanDerWaalsContact O-O 3.14Å; Y331-M409 HydrophobicContact CD1-CG 4.08Å; Y331-M409 WeakPolarHBondContact O-CA 3.41Å
332	L	88.5	Confident	82.4	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-76.4	-34.9	175.4	-64.7	164.7	0	0	0	113.1	F20 Y324 D328 A329 N408 D411	F20-L332 HydrophobicContact CD2-CB 4.2Å; F20-L332 HydrophobicContact CD2-CD1 3.64Å; F20-L332 HydrophobicContact CE2-CD1 3.41Å; F20-L332 VanDerWaalsContact CE2-CD1 3.41Å; Y324-L332 HydrophobicContact CD1-CD1 3.68Å; Y324-L332 HydrophobicContact CE1-CD1 4.12Å; Y324-L332 HydrophobicContact CE1-CD2 4.28Å; Y324-L332 HydrophobicContact CG-CD1 4.26Å; D328-L332 HydrophobicContact CB-CD1 3.73Å; D328-L332 HydrophobicContact CB-CG 4.44Å; D328-L332 WeakPolarHBondContact O-CG 3.45Å; D328-L332 PolarHBondContact O-N 2.93Å; A329-L332 PolarHBondContact O-N 2.91Å; L332-N408 HydrophobicContact CD2-CB 4.07Å; L332-N408 WeakPolarHBondContact CD2-O 3.3Å; L332-N408 HydrophobicContact CG-CB 4.23Å; L332-D411 HydrophobicContact CD2-CB 4.34Å; L332-D411 WeakPolarHBondContact CD2-O 3.35Å
333	S	84.3	Confident	82.4	Confident	4 Å²	4	44.8 Å²	44.8	3%	0.028	24%	0.236	C	C	.	.			trans	-118.9	138.2	-169	-45.6	0	0	0	0	114.3	F20 W264 A329 G335 R339	F20-S333 WeakPolarHBondContact CB-OG 3.34Å; W264-S333 VanDerWaalsContact CB-CB 3.41Å; W264-S333 WeakPolarHBondContact CB-OG 3.49Å; A329-S333 WeakPolarHBondContact O-CB 3.41Å; A329-S333 PolarHBondContact O-N 3.13Å; A329-S333 PolarHBondContact O-OG 2.77Å; S333-G335 VanDerWaalsContact C-N 3.27Å; S333-G335 PolarHBondContact O-N 2.94Å; S333-R339 PolarHBondContact O-NH2 3.46Å
334	Y	74.7	Confident	82.4	Confident	21 Å²	21	41 Å²	41	8%	0.082	21%	0.214	C	C	.	.			trans	-69.8	-17.2	-170.4	-173.3	-94.7	0	0	0	115.2	E265 C336 R339 Q468 M469	E265-Y334 PolarHBondContact OE2-N 3.22Å; Y334-C336 VanDerWaalsContact C-N 3.29Å; Y334-C336 PolarHBondContact O-N 3.03Å; Y334-R339 HydrophobicContact CD2-CG 4.39Å; Y334-R339 HydrophobicContact CE2-CG 4.38Å; Y334-Q468 HydrophobicContact CE2-CB 4.26Å; Y334-Q468 WeakPolarHBondContact CE2-O 3.47Å; Y334-Q468 PolarHBondContact OH-O 3.16Å; Y334-M469 VanDerWaalsContact CD2-C 3.5Å; Y334-M469 WeakPolarHBondContact CD2-O 3.41Å
335	G	61.6	Low	82.4	Confident	32 Å²	32	47.8 Å²	47.8	33%	0.33	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-9.6	-152.8	0	0	0	0	0	122.3	W264 S333	W264-G335 WeakPolarHBondContact O-CA 3.35Å; S333-G335 VanDerWaalsContact C-N 3.27Å; S333-G335 PolarHBondContact O-N 2.94Å
336	C	53	Low	82.4	Confident	90 Å²	90	47.2 Å²	47.2	61%	0.608	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-153.4	0.1	-170.9	-88.5	0	0	0	0	120.8	Y334	Y334-C336 VanDerWaalsContact C-N 3.29Å; Y334-C336 PolarHBondContact O-N 3.03Å
337	R	58.6	Low	82.5	Confident	182 Å²	182	44.2 Å²	44.2	69%	0.687	22%	0.223	S	C	*	.	S	Bend	trans	-149.2	150.3	-174.6	-64.9	-172.4	-177.8	-175.9	0.6	114.4	R339	R337-R339 PolarHBondContact O-N 3.33Å; R337-R339 VanDerWaalsContact O-N 3.14Å
338	P	62.1	Low	82.7	Confident	65 Å²	65	46.3 Å²	46.3	42%	0.422	23%	0.233	S	C	.	.			trans	-60.4	116.4	165.6	25	-31.1	0	0	0	109
339	R	76.7	Confident	82.7	Confident	11 Å²	11	50.5 Å²	50.5	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-81.7	-31.1	-170.5	-77	-166.4	166	-155.1	-14.4	113.4	P330 Y331 S333 Y334 R337 N341 V342 F343 M409 L465	P330-R339 PolarHBondContact O-NH2 3.48Å; Y331-R339 VanDerWaalsContact O-CZ 3.29Å; Y331-R339 PolarHBondContact O-NH1 2.75Å; Y331-R339 VanDerWaalsContact O-NH1 3.12Å; Y331-R339 PolarHBondContact O-NH2 2.98Å; S333-R339 PolarHBondContact O-NH2 3.46Å; Y334-R339 HydrophobicContact CD2-CG 4.39Å; Y334-R339 HydrophobicContact CE2-CG 4.38Å; R337-R339 PolarHBondContact O-N 3.33Å; R337-R339 VanDerWaalsContact O-N 3.14Å; R339-N341 VanDerWaalsContact C-N 3.34Å; R339-N341 PolarHBondContact O-N 3.35Å; R339-V342 PolarHBondContact O-N 2.89Å; R339-V342 VanDerWaalsContact O-N 3.09Å; R339-F343 WeakPolarHBondContact O-CB 3.23Å; R339-F343 PolarHBondContact O-N 2.56Å; R339-M409 HydrophobicContact CB-CE 4.06Å; R339-L465 HydrophobicContact CB-CD2 3.89Å; R339-L465 HydrophobicContact CG-CD2 4.29Å
340	L	86.3	Confident	82.8	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-43.6	179.7	-67.6	175.9	0	0	0	111.2	V342 F343 H344 V426 N431 Q468	L340-V342 VanDerWaalsContact C-N 3.27Å; L340-V342 PolarHBondContact O-N 2.94Å; L340-F343 WeakPolarHBondContact O-CB 3.19Å; L340-F343 PolarHBondContact O-N 2.84Å; L340-F343 VanDerWaalsContact O-N 3.13Å; L340-H344 PolarHBondContact O-CD2 3.34Å; L340-H344 PolarHBondContact O-N 2.69Å; L340-V426 HydrophobicContact CD2-CG1 3.91Å; L340-N431 WeakPolarHBondContact CB-OD1 3.38Å; L340-Q468 HydrophobicContact CD1-CG 4.03Å; L340-Q468 HydrophobicContact CG-CG 4.12Å
341	N	87.5	Confident	82.9	Confident	85 Å²	85	55.7 Å²	55.7	46%	0.455	28%	0.277	S	S	.	.	H	α-helix	trans	-62.1	-31.2	175.1	-68	-11.2	0	0	0	113.9	R339 R345	R339-N341 VanDerWaalsContact C-N 3.34Å; R339-N341 PolarHBondContact O-N 3.35Å; N341-R345 WeakPolarHBondContact O-CB 3.48Å; N341-R345 PolarHBondContact O-N 2.93Å
342	V	89.6	Confident	83	Confident	27 Å²	27	54.8 Å²	54.8	16%	0.164	28%	0.275	C	S	.	.	H	α-helix	trans	-76.8	-41.9	175.3	177.5	0	0	0	0	110	Y331 R339 L340 R345 L346	Y331-V342 HydrophobicContact CE1-CG1 3.97Å; R339-V342 PolarHBondContact O-N 2.89Å; R339-V342 VanDerWaalsContact O-N 3.09Å; L340-V342 VanDerWaalsContact C-N 3.27Å; L340-V342 PolarHBondContact O-N 2.94Å; V342-R345 PolarHBondContact O-N 2.8Å; V342-L346 HydrophobicContact CG1-CD1 4.04Å; V342-L346 HydrophobicContact CG1-CG 4.44Å; V342-L346 WeakPolarHBondContact O-CG 3.35Å; V342-L346 PolarHBondContact O-N 3.25Å
343	F	91.6	Very high	82.8	Confident	1 Å²	1	59.2 Å²	59.2	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-57.1	-54.3	174.5	168.3	-99.1	0	0	0	111.4	R339 L340 R345 L346 A347 T354 L406 M409 F410 F423 V426	R339-F343 WeakPolarHBondContact O-CB 3.23Å; R339-F343 PolarHBondContact O-N 2.56Å; L340-F343 WeakPolarHBondContact O-CB 3.19Å; L340-F343 PolarHBondContact O-N 2.84Å; L340-F343 VanDerWaalsContact O-N 3.13Å; F343-R345 VanDerWaalsContact C-N 3.29Å; F343-R345 PolarHBondContact O-N 3.38Å; F343-L346 PolarHBondContact O-N 2.84Å; F343-L346 VanDerWaalsContact O-N 3.17Å; F343-A347 WeakPolarHBondContact O-CB 3.39Å; F343-A347 PolarHBondContact O-N 3.34Å; F343-T354 HydrophobicContact CE1-CG2 3.72Å; F343-T354 HydrophobicContact CZ-CG2 3.87Å; F343-L406 HydrophobicContact CD2-CD1 3.53Å; F343-L406 HydrophobicContact CE2-CD1 3.7Å; F343-M409 HydrophobicContact CB-CE 3.69Å; F343-M409 HydrophobicContact CB-SD 4.11Å; F343-F410 HydrophobicContact CD2-CE2 4.16Å; F343-F410 AromaticContact CD2-CZ 3.96Å; F343-F410 HydrophobicContact CD2-CZ 3.96Å; F343-F410 AromaticContact CE2-CE2 3.98Å; F343-F410 HydrophobicContact CE2-CE2 3.98Å; F343-F410 AromaticContact CE2-CZ 3.65Å; F343-F410 HydrophobicContact CE2-CZ 3.65Å; F343-F423 HydrophobicContact CE2-CD2 4.32Å; F343-F423 HydrophobicContact CE2-CE2 4.01Å; F343-F423 HydrophobicContact CZ-CE2 4.37Å; F343-V426 HydrophobicContact CD1-CG1 3.79Å; F343-V426 HydrophobicContact CD2-CG1 3.97Å; F343-V426 HydrophobicContact CE1-CG1 3.75Å; F343-V426 HydrophobicContact CE2-CG1 3.93Å; F343-V426 HydrophobicContact CG-CG1 3.9Å; F343-V426 HydrophobicContact CZ-CB 4.4Å; F343-V426 HydrophobicContact CZ-CG1 3.81Å
344	H	91.3	Very high	83	Confident	27 Å²	27	60.6 Å²	60.6	13%	0.125	32%	0.315	C	S	.	.	H	α-helix	trans	-59.2	-40.6	179.7	-69.4	-58.1	0	0	0	112	L340 A347 E348 T354 T355	L340-H344 PolarHBondContact O-CD2 3.34Å; L340-H344 PolarHBondContact O-N 2.69Å; H344-A347 PolarHBondContact O-N 3.31Å; H344-E348 VanDerWaalsContact O-CB 3.3Å; H344-E348 WeakPolarHBondContact O-CB 3.32Å; H344-E348 PolarHBondContact O-N 2.82Å; H344-T354 PolarHBondContact ND1-OG1 3.34Å; H344-T355 PolarHBondContact CE1-O 2.95Å
345	R	92	Very high	83.4	Confident	147 Å²	147	60.8 Å²	60.8	56%	0.555	32%	0.318	S	S	*	.	H	α-helix	trans	-65.4	-41.9	176.9	-163.3	-165.6	-39.2	-162	0.6	112.7	N341 V342 F343 Q349	N341-R345 WeakPolarHBondContact O-CB 3.48Å; N341-R345 PolarHBondContact O-N 2.93Å; V342-R345 PolarHBondContact O-N 2.8Å; F343-R345 VanDerWaalsContact C-N 3.29Å; F343-R345 PolarHBondContact O-N 3.38Å; R345-Q349 VanDerWaalsContact O-CG 3.27Å; R345-Q349 WeakPolarHBondContact O-CG 3.47Å; R345-Q349 PolarHBondContact O-N 3.36Å
346	L	93.1	Very high	84.3	Confident	7 Å²	7	62.7 Å²	62.7	4%	0.037	33%	0.326	C	S	.	.	H	α-helix	trans	-67.3	-39.6	175.6	-71.6	171.8	0	0	0	111.2	Y331 V342 F343 Q349 L350 E402 R405 L406 M409	Y331-L346 HydrophobicContact CD1-CD1 4.28Å; Y331-L346 HydrophobicContact CE1-CD1 4.03Å; V342-L346 HydrophobicContact CG1-CD1 4.04Å; V342-L346 HydrophobicContact CG1-CG 4.44Å; V342-L346 WeakPolarHBondContact O-CG 3.35Å; V342-L346 PolarHBondContact O-N 3.25Å; F343-L346 PolarHBondContact O-N 2.84Å; F343-L346 VanDerWaalsContact O-N 3.17Å; L346-Q349 PolarHBondContact O-N 3.49Å; L346-L350 WeakPolarHBondContact O-CG 3.15Å; L346-L350 PolarHBondContact O-N 3.34Å; L346-E402 HydrophobicContact CD2-CB 4.01Å; L346-E402 HydrophobicContact CD2-CG 4.14Å; L346-R405 HydrophobicContact CD1-CB 3.9Å; L346-R405 HydrophobicContact CD2-CB 4.07Å; L346-L406 HydrophobicContact CB-CB 4.42Å; L346-L406 HydrophobicContact CB-CD1 4.39Å; L346-L406 HydrophobicContact CD1-CB 4.45Å; L346-M409 HydrophobicContact CD1-SD 3.82Å
347	A	92.9	Very high	85.9	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.5	-45.4	175.6	0	0	0	0	0	111.4	F343 H344 L350 N351 L352 T354	F343-A347 WeakPolarHBondContact O-CB 3.39Å; F343-A347 PolarHBondContact O-N 3.34Å; H344-A347 PolarHBondContact O-N 3.31Å; A347-L350 CarbonylContact O-C 3.5Å; A347-L350 PolarHBondContact O-N 3.01Å; A347-L350 VanDerWaalsContact O-N 3.12Å; A347-N351 PolarHBondContact O-N 2.69Å; A347-N351 VanDerWaalsContact O-N 3.08Å; A347-L352 HydrophobicContact CB-CB 4.09Å; A347-L352 WeakPolarHBondContact O-CB 3.32Å; A347-L352 PolarHBondContact O-N 3.32Å; A347-T354 HydrophobicContact CB-CG2 3.53Å
348	E	92.7	Very high	87.5	Confident	143 Å²	143	58 Å²	58	67%	0.668	31%	0.306	S	S	*	.	H	α-helix	trans	-60.3	-45.7	175.1	-176.1	-177.3	-166.7	0	0	111.8	H344 L350 N351	H344-E348 VanDerWaalsContact O-CB 3.3Å; H344-E348 WeakPolarHBondContact O-CB 3.32Å; H344-E348 PolarHBondContact O-N 2.82Å; E348-L350 PolarHBondContact O-N 3.48Å; E348-L350 VanDerWaalsContact O-N 3.15Å; E348-N351 PolarHBondContact O-N 2.91Å
349	Q	92.9	Very high	88.9	Confident	111 Å²	111	58.5 Å²	58.5	52%	0.519	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-23.7	175.7	-74.8	177.7	-30.6	0	0	113.7	R345 L346 E402	R345-Q349 VanDerWaalsContact O-CG 3.27Å; R345-Q349 WeakPolarHBondContact O-CG 3.47Å; R345-Q349 PolarHBondContact O-N 3.36Å; L346-Q349 PolarHBondContact O-N 3.49Å; Q349-E402 HydrophobicContact CB-CG 4.37Å; Q349-E402 VanDerWaalsContact OE1-CG 3.26Å
350	L	92.5	Very high	89.7	Confident	13 Å²	13	59.3 Å²	59.3	7%	0.068	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	7	176.3	-65.6	170.3	0	0	0	112.5	L346 A347 E348 L352 P400 E402 L403 L406	L346-L350 WeakPolarHBondContact O-CG 3.15Å; L346-L350 PolarHBondContact O-N 3.34Å; A347-L350 CarbonylContact O-C 3.5Å; A347-L350 PolarHBondContact O-N 3.01Å; A347-L350 VanDerWaalsContact O-N 3.12Å; E348-L350 PolarHBondContact O-N 3.48Å; E348-L350 VanDerWaalsContact O-N 3.15Å; L350-L352 VanDerWaalsContact C-N 3.25Å; L350-L352 HydrophobicContact CB-CD1 4.08Å; L350-L352 HydrophobicContact CB-CD2 4.45Å; L350-L352 HydrophobicContact CB-CG 3.81Å; L350-L352 HydrophobicContact CD1-CD1 4.35Å; L350-L352 PolarHBondContact O-N 2.76Å; L350-P400 HydrophobicContact CD2-CG 3.74Å; L350-E402 HydrophobicContact CD2-CB 4.32Å; L350-E402 HydrophobicContact CG-CB 4.4Å; L350-L403 HydrophobicContact CD1-CB 4.44Å; L350-L403 HydrophobicContact CD2-CB 4.3Å; L350-L406 HydrophobicContact CD1-CB 4.27Å; L350-L406 HydrophobicContact CD1-CD2 3.68Å
351	N	90.8	Very high	90.2	Very high	152 Å²	152	64.7 Å²	64.7	81%	0.813	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	35.9	-176.4	-58.8	-44.7	0	0	0	113.8	A347 E348	A347-N351 PolarHBondContact O-N 2.69Å; A347-N351 VanDerWaalsContact O-N 3.08Å; E348-N351 PolarHBondContact O-N 2.91Å
352	L	90.6	Very high	90.5	Very high	29 Å²	29	64.6 Å²	64.6	15%	0.152	33%	0.333	C	S	.	.			trans	-89.7	136.9	178.4	-53.6	-179.8	0	0	0	110.9	A347 L350 T354 L392 L406 F423	A347-L352 HydrophobicContact CB-CB 4.09Å; A347-L352 WeakPolarHBondContact O-CB 3.32Å; A347-L352 PolarHBondContact O-N 3.32Å; L350-L352 VanDerWaalsContact C-N 3.25Å; L350-L352 HydrophobicContact CB-CD1 4.08Å; L350-L352 HydrophobicContact CB-CD2 4.45Å; L350-L352 HydrophobicContact CB-CG 3.81Å; L350-L352 HydrophobicContact CD1-CD1 4.35Å; L350-L352 PolarHBondContact O-N 2.76Å; L352-T354 PolarHBondContact O-N 2.73Å; L352-L392 HydrophobicContact CD1-CD1 3.87Å; L352-L392 HydrophobicContact CD1-CD2 4.08Å; L352-L392 HydrophobicContact CD2-CB 4.25Å; L352-L392 HydrophobicContact CD2-CD1 4.23Å; L352-L392 HydrophobicContact CD2-CD2 4.02Å; L352-L392 HydrophobicContact CD2-CG 4.4Å; L352-L406 HydrophobicContact CD1-CD2 3.59Å; L352-F423 HydrophobicContact CD1-CZ 4.39Å
353	S	85	Confident	90.8	Very high	95 Å²	95	63.3 Å²	63.3	66%	0.664	33%	0.325	S	S	*	.			trans	-73.9	111.2	174.7	174.2	0	0	0	0	111
354	T	87	Confident	91	Very high	34 Å²	34	67.1 Å²	67.1	21%	0.209	34%	0.342	C	S	.	.			trans	-131.9	155	172.5	66.6	0	0	0	0	109.7	F343 H344 A347 L352	F343-T354 HydrophobicContact CE1-CG2 3.72Å; F343-T354 HydrophobicContact CZ-CG2 3.87Å; H344-T354 PolarHBondContact ND1-OG1 3.34Å; A347-T354 HydrophobicContact CB-CG2 3.53Å; L352-T354 PolarHBondContact O-N 2.73Å
355	T	82.9	Confident	91.3	Very high	25 Å²	25	71 Å²	71	15%	0.153	36%	0.363	C	S	.	.			trans	-116.1	142.1	178.8	60.2	0	0	0	0	110.8	H344 I357 E359 C427	H344-T355 PolarHBondContact CE1-O 2.95Å; T355-I357 VanDerWaalsContact C-N 3.31Å; T355-I357 WeakPolarHBondContact CB-O 3.46Å; T355-I357 PolarHBondContact OG1-O 3.03Å; T355-E359 HydrophobicContact CG2-CG 4.19Å; T355-E359 WeakPolarHBondContact CG2-OE2 3.44Å; T355-C427 PolarHBondContact N-O 2.8Å; T355-C427 PolarHBondContact OG1-O 2.72Å
356	S	82.4	Confident	91.4	Very high	71 Å²	71	66.4 Å²	66.4	50%	0.497	35%	0.347	S	S	.	.	S	Bend	trans	-82.6	-15.1	172.6	54.2	0	0	0	0	112.8	G430 N431	S356-G430 WeakPolarHBondContact O-CA 3.36Å; S356-N431 PolarHBondContact O-N 2.77Å
357	I	86.7	Confident	91.5	Very high	123 Å²	123	67.1 Å²	67.1	63%	0.631	35%	0.349	S	S	*	.	S	Bend	trans	-104.7	145.6	177.9	-55.7	172	0	0	0	108	T355 E359	T355-I357 VanDerWaalsContact C-N 3.31Å; T355-I357 WeakPolarHBondContact CB-O 3.46Å; T355-I357 PolarHBondContact OG1-O 3.03Å; I357-E359 PolarHBondContact O-N 3.21Å
358	E	90.3	Very high	91.7	Very high	52 Å²	52	71.4 Å²	71.4	24%	0.243	38%	0.375	C	S	.	.			trans	-63.5	123.9	175.1	-172	-176.3	98.5	0	0	111	C428 M434 S435 F438	E358-C428 WeakPolarHBondContact CA-O 3.29Å; E358-M434 WeakPolarHBondContact OE2-CA 3.37Å; E358-S435 WeakPolarHBondContact OE1-CB 3.31Å; E358-S435 PolarHBondContact OE1-OG 3.18Å; E358-S435 PolarHBondContact OE2-N 3.03Å; E358-F438 HydrophobicContact CG-CB 4.06Å; E358-F438 HydrophobicContact CG-CD1 4.4Å; E358-F438 HydrophobicContact CG-CD2 3.4Å; E358-F438 VanDerWaalsContact CG-CD2 3.4Å; E358-F438 HydrophobicContact CG-CE2 3.85Å; E358-F438 HydrophobicContact CG-CG 3.72Å; E358-F438 VanDerWaalsContact OE1-CB 3.25Å; E358-F438 WeakPolarHBondContact OE1-CB 3.33Å; E358-F438 WeakPolarHBondContact OE2-CB 3.33Å
359	E	92.5	Very high	91.7	Very high	75 Å²	75	68.6 Å²	68.6	35%	0.35	37%	0.372	S	S	.	.			trans	-126.8	80	-178.1	-69.7	-167.1	148.6	0	0	112.2	T355 I357 N361 Q362 L363 C428	T355-E359 HydrophobicContact CG2-CG 4.19Å; T355-E359 WeakPolarHBondContact CG2-OE2 3.44Å; I357-E359 PolarHBondContact O-N 3.21Å; E359-N361 VanDerWaalsContact C-N 3.3Å; E359-N361 PolarHBondContact O-N 3.29Å; E359-Q362 HydrophobicContact CB-CB 3.9Å; E359-Q362 HydrophobicContact CB-CG 4.13Å; E359-Q362 PolarHBondContact O-N 2.72Å; E359-Q362 WeakPolarHBondContact OE2-CG 3.42Å; E359-L363 PolarHBondContact O-N 2.89Å; E359-C428 PolarHBondContact N-O 2.92Å
360	L	94	Very high	91.8	Very high	27 Å²	27	63.6 Å²	63.6	14%	0.141	35%	0.348	C	S	.	.	H	α-helix	trans	-57.3	-39.4	-179.5	179.7	55.7	0	0	0	113.4	L363 K364 E437 F438 Y441	L360-L363 PolarHBondContact O-N 3.41Å; L360-K364 HydrophobicContact CG-CD 4.4Å; L360-K364 WeakPolarHBondContact O-CG 3.44Å; L360-K364 PolarHBondContact O-N 3.26Å; L360-E437 HydrophobicContact CD2-CB 4.16Å; L360-F438 HydrophobicContact CB-CD2 4.18Å; L360-F438 HydrophobicContact CD1-CD2 4.14Å; L360-Y441 HydrophobicContact CD1-CD1 3.7Å; L360-Y441 HydrophobicContact CD1-CG 3.76Å
361	N	95.6	Very high	91.9	Very high	115 Å²	115	69.9 Å²	69.9	62%	0.615	37%	0.371	S	S	*	.	H	α-helix	trans	-67.8	-38.1	179.6	-71.8	-25.4	0	0	0	112.1	E359 K364 L365	E359-N361 VanDerWaalsContact C-N 3.3Å; E359-N361 PolarHBondContact O-N 3.29Å; N361-K364 WeakPolarHBondContact O-CB 3.47Å; N361-K364 PolarHBondContact O-N 2.79Å; N361-L365 WeakPolarHBondContact O-CG 3.49Å; N361-L365 PolarHBondContact O-N 3.12Å
362	Q	94.3	Very high	92	Very high	82 Å²	82	66.6 Å²	66.6	38%	0.383	36%	0.36	S	S	.	.	H	α-helix	trans	-67.2	-39.9	174.2	-72.7	-62.2	-26.6	0	0	111.5	E359 K364 L365 K366	E359-Q362 HydrophobicContact CB-CB 3.9Å; E359-Q362 HydrophobicContact CB-CG 4.13Å; E359-Q362 PolarHBondContact O-N 2.72Å; E359-Q362 WeakPolarHBondContact OE2-CG 3.42Å; Q362-K364 VanDerWaalsContact C-N 3.32Å; Q362-K364 PolarHBondContact O-N 2.96Å; Q362-L365 PolarHBondContact O-N 3.42Å; Q362-K366 WeakPolarHBondContact O-CB 3.01Å; Q362-K366 WeakPolarHBondContact O-CG 3.04Å; Q362-K366 PolarHBondContact O-N 3.32Å
363	L	95.5	Very high	92.1	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-59.1	-44.1	173.2	-179.4	59.2	0	0	0	111.4	E359 L360 L365 W367 L424 I425 C428 F438 Y441 I445	E359-L363 PolarHBondContact O-N 2.89Å; L360-L363 PolarHBondContact O-N 3.41Å; L363-L365 PolarHBondContact O-N 3.25Å; L363-W367 WeakPolarHBondContact O-CB 3.26Å; L363-W367 PolarHBondContact O-N 2.94Å; L363-L424 HydrophobicContact CD1-CB 4.09Å; L363-I425 HydrophobicContact CD1-CG1 4.34Å; L363-I425 HydrophobicContact CD2-CG1 4.42Å; L363-C428 HydrophobicContact CB-CB 3.9Å; L363-F438 HydrophobicContact CB-CE2 4.27Å; L363-F438 HydrophobicContact CD2-CD2 4.2Å; L363-F438 HydrophobicContact CD2-CE1 4.37Å; L363-F438 HydrophobicContact CD2-CE2 3.55Å; L363-F438 HydrophobicContact CD2-CZ 3.65Å; L363-Y441 HydrophobicContact CD2-CD1 3.9Å; L363-Y441 HydrophobicContact CD2-CE1 4.31Å; L363-Y441 HydrophobicContact CG-CD1 4.17Å; L363-Y441 HydrophobicContact CG-CE1 4.07Å; L363-I445 HydrophobicContact CD1-CD1 4.18Å; L363-I445 HydrophobicContact CD2-CD1 4.2Å; L363-I445 HydrophobicContact CG-CD1 4.22Å
364	K	97	Very high	92.5	Very high	81 Å²	81	66.9 Å²	66.9	35%	0.352	36%	0.357	S	S	.	.	H	α-helix	trans	-58.1	-46.7	175.6	-75.9	169.8	178.1	176.5	0	112.4	L360 N361 Q362 T368 Y441	L360-K364 HydrophobicContact CG-CD 4.4Å; L360-K364 WeakPolarHBondContact O-CG 3.44Å; L360-K364 PolarHBondContact O-N 3.26Å; N361-K364 WeakPolarHBondContact O-CB 3.47Å; N361-K364 PolarHBondContact O-N 2.79Å; Q362-K364 VanDerWaalsContact C-N 3.32Å; Q362-K364 PolarHBondContact O-N 2.96Å; K364-T368 WeakPolarHBondContact O-CB 3.36Å; K364-T368 PolarHBondContact O-N 3.04Å; K364-T368 PolarHBondContact O-OG1 3.43Å; K364-Y441 WeakPolarHBondContact CA-OH 3.46Å; K364-Y441 HydrophobicContact CB-CE1 4.42Å; K364-Y441 HydrophobicContact CG-CD1 4.28Å; K364-Y441 HydrophobicContact CG-CD2 4.41Å; K364-Y441 HydrophobicContact CG-CE1 3.64Å; K364-Y441 HydrophobicContact CG-CE2 3.8Å; K364-Y441 WeakPolarHBondContact CG-OH 3.17Å
365	L	96	Very high	92.8	Very high	108 Å²	108	71.5 Å²	71.5	57%	0.565	38%	0.377	S	S	*	.	H	α-helix	trans	-65.6	-50	179.4	-69.5	171.9	0	0	0	111.9	N361 Q362 L363 W367 T368 S369	N361-L365 WeakPolarHBondContact O-CG 3.49Å; N361-L365 PolarHBondContact O-N 3.12Å; Q362-L365 PolarHBondContact O-N 3.42Å; L363-L365 PolarHBondContact O-N 3.25Å; L365-W367 VanDerWaalsContact C-N 3.34Å; L365-W367 PolarHBondContact O-N 3.19Å; L365-T368 PolarHBondContact O-N 3.49Å; L365-S369 PolarHBondContact O-N 2.8Å
366	K	94.4	Very high	93.3	Very high	52 Å²	52	71.1 Å²	71.1	23%	0.226	37%	0.374	C	S	.	.	H	α-helix	trans	-61.5	-41.4	178.4	-72.1	-178	-180	178	0	111.7	Q362 S369 L370 L424	Q362-K366 WeakPolarHBondContact O-CB 3.01Å; Q362-K366 WeakPolarHBondContact O-CG 3.04Å; Q362-K366 PolarHBondContact O-N 3.32Å; K366-S369 PolarHBondContact O-N 3.02Å; K366-L370 WeakPolarHBondContact O-CB 3.24Å; K366-L370 PolarHBondContact O-N 3.09Å; K366-L424 HydrophobicContact CB-CD1 4.24Å; K366-L424 HydrophobicContact CB-CD2 3.82Å; K366-L424 HydrophobicContact CD-CD2 3.98Å; K366-L424 HydrophobicContact CG-CD2 4.43Å
367	W	95.8	Very high	93.8	Very high	22 Å²	22	73.5 Å²	73.5	8%	0.083	37%	0.372	C	S	.	.	H	α-helix	trans	-64.5	-44.8	175.5	173.4	-125.2	0	0	0	112.3	L363 L365 S369 L370 R371 Y381 R421 I445	L363-W367 WeakPolarHBondContact O-CB 3.26Å; L363-W367 PolarHBondContact O-N 2.94Å; L365-W367 VanDerWaalsContact C-N 3.34Å; L365-W367 PolarHBondContact O-N 3.19Å; W367-S369 VanDerWaalsContact C-N 3.27Å; W367-S369 PolarHBondContact O-N 2.55Å; W367-L370 HydrophobicContact CE3-CB 4.26Å; W367-L370 HydrophobicContact CE3-CD2 4.12Å; W367-L370 HydrophobicContact CZ3-CD2 4.06Å; W367-L370 PolarHBondContact O-N 2.64Å; W367-R371 HydrophobicContact CD2-CB 4.32Å; W367-R371 HydrophobicContact CE3-CB 4.43Å; W367-R371 HydrophobicContact CH2-CB 4.25Å; W367-R371 HydrophobicContact CH2-CG 4.21Å; W367-R371 HydrophobicContact CZ2-CB 4.14Å; W367-R371 HydrophobicContact CZ2-CG 3.95Å; W367-R371 HydrophobicContact CZ3-CB 4.38Å; W367-R371 VanDerWaalsContact O-CB 3.25Å; W367-R371 WeakPolarHBondContact O-CB 3.24Å; W367-R371 PolarHBondContact O-N 3.43Å; W367-Y381 HydrophobicContact CH2-CD2 4.38Å; W367-Y381 HydrophobicContact CH2-CE1 4.42Å; W367-Y381 AromaticContact CH2-CE2 3.67Å; W367-Y381 HydrophobicContact CH2-CE2 3.67Å; W367-Y381 AromaticContact CH2-CZ 3.7Å; W367-Y381 HydrophobicContact CZ3-CD2 4.43Å; W367-Y381 HydrophobicContact CZ3-CE1 4.12Å; W367-Y381 HydrophobicContact CZ3-CE2 4.02Å; W367-Y381 AromaticContact CZ3-CZ 3.85Å; W367-R421 HydrophobicContact CE3-CG 4.33Å; W367-R421 HydrophobicContact CH2-CG 4.22Å; W367-R421 HydrophobicContact CZ3-CG 3.65Å; W367-I445 HydrophobicContact CD2-CG1 4.24Å; W367-I445 HydrophobicContact CD2-CG2 4.18Å; W367-I445 HydrophobicContact CE3-CG2 4.21Å; W367-I445 HydrophobicContact CG-CD1 4.33Å; W367-I445 HydrophobicContact CG-CG1 4.11Å; W367-I445 HydrophobicContact CH2-CG2 4.25Å; W367-I445 HydrophobicContact CZ2-CG2 4.18Å; W367-I445 HydrophobicContact CZ3-CG2 4.27Å
368	T	96.2	Very high	94	Very high	90 Å²	90	77 Å²	77	55%	0.552	38%	0.377	S	S	*	.	H	α-helix	trans	-59	-42.1	178.2	-58.3	0	0	0	0	111.2	K364 L365 S372	K364-T368 WeakPolarHBondContact O-CB 3.36Å; K364-T368 PolarHBondContact O-N 3.04Å; K364-T368 PolarHBondContact O-OG1 3.43Å; L365-T368 PolarHBondContact O-N 3.49Å; T368-S372 PolarHBondContact O-N 3.24Å
369	S	94	Very high	94.2	Very high	84 Å²	84	76.8 Å²	76.8	59%	0.587	38%	0.38	S	S	*	.	H	α-helix	trans	-66.1	-42.8	174.8	-177.6	0	0	0	0	112.9	L365 K366 W367 S372	L365-S369 PolarHBondContact O-N 2.8Å; K366-S369 PolarHBondContact O-N 3.02Å; W367-S369 VanDerWaalsContact C-N 3.27Å; W367-S369 PolarHBondContact O-N 2.55Å; S369-S372 PolarHBondContact O-OG 3.36Å
370	L	94.3	Very high	94.2	Very high	6 Å²	6	78.1 Å²	78.1	3%	0.031	39%	0.387	C	S	.	.	H	α-helix	trans	-66.3	-40.3	176.7	-172	71.7	0	0	0	111.6	K366 W367 S372 S373 L376 Y381 Y391 L420 R421 L424	K366-L370 WeakPolarHBondContact O-CB 3.24Å; K366-L370 PolarHBondContact O-N 3.09Å; W367-L370 HydrophobicContact CE3-CB 4.26Å; W367-L370 HydrophobicContact CE3-CD2 4.12Å; W367-L370 HydrophobicContact CZ3-CD2 4.06Å; W367-L370 PolarHBondContact O-N 2.64Å; L370-S372 VanDerWaalsContact C-N 3.28Å; L370-S372 PolarHBondContact O-N 3.46Å; L370-S373 PolarHBondContact O-N 3.49Å; L370-L376 HydrophobicContact CD1-CD1 3.48Å; L370-L376 VanDerWaalsContact CD1-CD1 3.48Å; L370-Y381 HydrophobicContact CD1-CD1 4.48Å; L370-Y381 HydrophobicContact CD2-CD1 3.88Å; L370-Y381 HydrophobicContact CD2-CE1 4.35Å; L370-Y381 HydrophobicContact CG-CD1 3.87Å; L370-Y381 HydrophobicContact CG-CE1 4.01Å; L370-Y391 HydrophobicContact CD1-CD2 4.28Å; L370-Y391 HydrophobicContact CD1-CE2 3.66Å; L370-L420 HydrophobicContact CD1-CB 4.32Å; L370-L420 HydrophobicContact CD1-CD1 3.84Å; L370-L420 HydrophobicContact CD2-CB 3.82Å; L370-R421 HydrophobicContact CD2-CG 4.48Å; L370-L424 HydrophobicContact CB-CD1 4.01Å; L370-L424 HydrophobicContact CD2-CD1 3.55Å; L370-L424 HydrophobicContact CD2-CG 4.34Å; L370-L424 HydrophobicContact CG-CD1 4.35Å
371	R	93.9	Very high	94.3	Very high	144 Å²	144	77.5 Å²	77.5	54%	0.543	38%	0.383	S	S	.	.	H	α-helix	trans	-66.3	-29.6	-177.2	-165.6	176.6	92.1	164.4	3.2	112	W367 S373 R377	W367-R371 HydrophobicContact CD2-CB 4.32Å; W367-R371 HydrophobicContact CE3-CB 4.43Å; W367-R371 HydrophobicContact CH2-CB 4.25Å; W367-R371 HydrophobicContact CH2-CG 4.21Å; W367-R371 HydrophobicContact CZ2-CB 4.14Å; W367-R371 HydrophobicContact CZ2-CG 3.95Å; W367-R371 HydrophobicContact CZ3-CB 4.38Å; W367-R371 VanDerWaalsContact O-CB 3.25Å; W367-R371 WeakPolarHBondContact O-CB 3.24Å; W367-R371 PolarHBondContact O-N 3.43Å; R371-S373 VanDerWaalsContact C-N 3.27Å; R371-S373 PolarHBondContact O-N 3Å; R371-R377 PolarHBondContact O-NE 2.91Å; R371-R377 PolarHBondContact O-NH2 3.08Å
372	S	94.1	Very high	94.3	Very high	84 Å²	84	73.6 Å²	73.6	59%	0.587	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-15.8	179.2	67	0	0	0	0	113.9	T368 S369 L370 D374	T368-S372 PolarHBondContact O-N 3.24Å; S369-S372 PolarHBondContact O-OG 3.36Å; L370-S372 VanDerWaalsContact C-N 3.28Å; L370-S372 PolarHBondContact O-N 3.46Å; S372-D374 PolarHBondContact O-N 3.19Å
373	S	93.2	Very high	94.4	Very high	39 Å²	39	69.8 Å²	69.8	27%	0.273	35%	0.349	S	S	.	.			trans	-76.3	109.1	174.3	179	0	0	0	0	111.5	L370 R371 E375 L376 R377	L370-S373 PolarHBondContact O-N 3.49Å; R371-S373 VanDerWaalsContact C-N 3.27Å; R371-S373 PolarHBondContact O-N 3Å; S373-E375 VanDerWaalsContact C-N 3.3Å; S373-E375 PolarHBondContact O-N 2.9Å; S373-L376 PolarHBondContact O-N 3.2Å; S373-L376 WeakPolarHBondContact OG-CG 3.48Å; S373-L376 PolarHBondContact OG-N 2.85Å; S373-R377 WeakPolarHBondContact O-CB 3.33Å; S373-R377 PolarHBondContact O-N 2.9Å
374	D	92.6	Very high	94.4	Very high	90 Å²	90	71.3 Å²	71.3	48%	0.481	36%	0.359	S	S	.	.	H	α-helix	trans	-64.3	-34.6	176.9	-72.8	-30.5	0	0	0	112.7	S372 R377 R378	S372-D374 PolarHBondContact O-N 3.19Å; D374-R377 PolarHBondContact O-N 2.78Å; D374-R377 IonicContact OD1-CZ 2.86Å; D374-R377 IonicContact OD1-NH1 3.98Å; D374-R378 WeakPolarHBondContact O-CG 3.35Å; D374-R378 PolarHBondContact O-N 2.89Å
375	E	92.3	Very high	94.3	Very high	132 Å²	132	69 Å²	69	62%	0.617	35%	0.35	S	S	*	.	H	α-helix	trans	-60.4	-48.3	177.6	-175	-176.2	171.6	0	0	111.4	S373 R377 R378	S373-E375 VanDerWaalsContact C-N 3.3Å; S373-E375 PolarHBondContact O-N 2.9Å; E375-R377 VanDerWaalsContact C-N 3.35Å; E375-R378 PolarHBondContact O-N 3.13Å
376	L	94.1	Very high	94.2	Very high	17 Å²	17	67.6 Å²	67.6	9%	0.089	34%	0.344	C	S	.	.	H	α-helix	trans	-71.8	-31.4	179.7	-62.1	176.4	0	0	0	111.9	L370 S373 C379 E380 Y381 V383 T387 L420	L370-L376 HydrophobicContact CD1-CD1 3.48Å; L370-L376 VanDerWaalsContact CD1-CD1 3.48Å; S373-L376 PolarHBondContact O-N 3.2Å; S373-L376 WeakPolarHBondContact OG-CG 3.48Å; S373-L376 PolarHBondContact OG-N 2.85Å; L376-C379 PolarHBondContact O-N 3.22Å; L376-C379 PolarHBondContact O-SG 3.13Å; L376-E380 PolarHBondContact O-N 3.17Å; L376-Y381 HydrophobicContact CB-CD1 3.86Å; L376-Y381 HydrophobicContact CB-CE1 4.11Å; L376-Y381 WeakPolarHBondContact O-CA 3.41Å; L376-Y381 PolarHBondContact O-N 3.37Å; L376-V383 HydrophobicContact CD2-CG1 3.76Å; L376-T387 HydrophobicContact CD2-CG2 4.03Å; L376-L420 HydrophobicContact CD1-CD1 4.02Å; L376-L420 HydrophobicContact CD2-CD1 4.13Å
377	R	92.5	Very high	94.2	Very high	121 Å²	121	67.4 Å²	67.4	46%	0.457	35%	0.347	S	S	.	.	H	α-helix	trans	-64.9	-39.4	174.7	-165.3	-174.2	-60.9	163	5.4	112	R371 S373 D374 E375 C379 E380	R371-R377 PolarHBondContact O-NE 2.91Å; R371-R377 PolarHBondContact O-NH2 3.08Å; S373-R377 WeakPolarHBondContact O-CB 3.33Å; S373-R377 PolarHBondContact O-N 2.9Å; D374-R377 PolarHBondContact O-N 2.78Å; D374-R377 IonicContact OD1-CZ 2.86Å; D374-R377 IonicContact OD1-NH1 3.98Å; E375-R377 VanDerWaalsContact C-N 3.35Å; R377-C379 VanDerWaalsContact C-N 3.25Å; R377-C379 PolarHBondContact O-N 3.46Å; R377-E380 PolarHBondContact O-N 3.5Å
378	R	92.3	Very high	94.2	Very high	197 Å²	197	66.3 Å²	66.3	74%	0.743	34%	0.343	S	S	*	.	H	α-helix	trans	-61.8	-30.3	179.2	-74.4	177.7	-156.8	126.4	4.6	113.5	D374 E375	D374-R378 WeakPolarHBondContact O-CG 3.35Å; D374-R378 PolarHBondContact O-N 2.89Å; E375-R378 PolarHBondContact O-N 3.13Å
379	C	92.6	Very high	94.1	Very high	46 Å²	46	62.1 Å²	62.1	31%	0.311	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	15.3	176.1	66.7	0	0	0	0	113.3	L376 R377 Y381 A382	L376-C379 PolarHBondContact O-N 3.22Å; L376-C379 PolarHBondContact O-SG 3.13Å; R377-C379 VanDerWaalsContact C-N 3.25Å; R377-C379 PolarHBondContact O-N 3.46Å; C379-Y381 PolarHBondContact O-N 2.72Å; C379-Y381 VanDerWaalsContact O-N 3.11Å; C379-A382 WeakPolarHBondContact O-CB 3.39Å; C379-A382 PolarHBondContact O-N 3.43Å
380	E	93.5	Very high	94	Very high	103 Å²	103	61.9 Å²	61.9	48%	0.481	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	33.9	-174.5	-58	-170.9	150.3	0	0	112.8	L376 R377 A382 R421 R448	L376-E380 PolarHBondContact O-N 3.17Å; R377-E380 PolarHBondContact O-N 3.5Å; E380-A382 PolarHBondContact O-N 3.16Å; E380-R421 PolarHBondContact O-NH2 3.33Å; E380-R448 IonicContact OE1-CZ 3.28Å; E380-R448 IonicContact OE1-NH2 3.97Å; E380-R448 PolarHBondContact OE1-NH2 2.94Å; E380-R448 IonicContact OE2-NH2 3.89Å; E380-R448 PolarHBondContact OE2-NH2 3.26Å
381	Y	96.2	Very high	94	Very high	15 Å²	15	64.9 Å²	64.9	6%	0.059	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	11.8	-177.7	-45.4	-80.3	0	0	0	114.9	W367 L370 L376 C379 V383 L420 R421	W367-Y381 HydrophobicContact CH2-CD2 4.38Å; W367-Y381 HydrophobicContact CH2-CE1 4.42Å; W367-Y381 AromaticContact CH2-CE2 3.67Å; W367-Y381 HydrophobicContact CH2-CE2 3.67Å; W367-Y381 AromaticContact CH2-CZ 3.7Å; W367-Y381 HydrophobicContact CZ3-CD2 4.43Å; W367-Y381 HydrophobicContact CZ3-CE1 4.12Å; W367-Y381 HydrophobicContact CZ3-CE2 4.02Å; W367-Y381 AromaticContact CZ3-CZ 3.85Å; L370-Y381 HydrophobicContact CD1-CD1 4.48Å; L370-Y381 HydrophobicContact CD2-CD1 3.88Å; L370-Y381 HydrophobicContact CD2-CE1 4.35Å; L370-Y381 HydrophobicContact CG-CD1 3.87Å; L370-Y381 HydrophobicContact CG-CE1 4.01Å; L376-Y381 HydrophobicContact CB-CD1 3.86Å; L376-Y381 HydrophobicContact CB-CE1 4.11Å; L376-Y381 WeakPolarHBondContact O-CA 3.41Å; L376-Y381 PolarHBondContact O-N 3.37Å; C379-Y381 PolarHBondContact O-N 2.72Å; C379-Y381 VanDerWaalsContact O-N 3.11Å; Y381-V383 PolarHBondContact O-N 2.84Å; Y381-L420 PolarHBondContact O-N 3.13Å; Y381-R421 HydrophobicContact CD2-CG 4Å; Y381-R421 HydrophobicContact CG-CG 4.08Å
382	A	95.9	Very high	93.9	Very high	33 Å²	33	59.2 Å²	59.2	27%	0.273	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	95.9	176.8	0	0	0	0	0	111.6	C379 E380 R417 I418	C379-A382 WeakPolarHBondContact O-CB 3.39Å; C379-A382 PolarHBondContact O-N 3.43Å; E380-A382 PolarHBondContact O-N 3.16Å; A382-R417 PolarHBondContact O-NH1 3.24Å; A382-R417 VanDerWaalsContact O-NH1 3.16Å; A382-I418 CarbonylContact C-O 3.56Å; A382-I418 WeakPolarHBondContact CA-O 3.37Å
383	V	96.5	Very high	93.8	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.012	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	148.6	-168.4	-61.4	0	0	0	0	113.1	L376 Y381 T387 F388 R417 I418 L420	L376-V383 HydrophobicContact CD2-CG1 3.76Å; Y381-V383 PolarHBondContact O-N 2.84Å; V383-T387 HydrophobicContact CB-CG2 3.84Å; V383-T387 HydrophobicContact CG1-CG2 3.65Å; V383-F388 HydrophobicContact CG2-CB 4.25Å; V383-R417 CarbonylContact O-C 3.39Å; V383-R417 WeakPolarHBondContact O-CA 3.42Å; V383-I418 HydrophobicContact CG2-CG1 3.83Å; V383-I418 PolarHBondContact N-O 3.19Å; V383-I418 PolarHBondContact O-N 3.37Å; V383-L420 HydrophobicContact CB-CG 4.49Å; V383-L420 HydrophobicContact CG1-CD1 3.77Å; V383-L420 HydrophobicContact CG1-CG 4.01Å; V383-L420 HydrophobicContact CG2-CD1 4.16Å; V383-L420 HydrophobicContact CG2-CD2 3.69Å; V383-L420 HydrophobicContact CG2-CG 3.66Å
384	S	95.7	Very high	93.6	Very high	32 Å²	32	64.6 Å²	64.6	22%	0.224	32%	0.316	C	S	.	.			trans	-76.6	173.4	169.8	67.9	0	0	0	0	111.1	D386 T387 F388	S384-D386 VanDerWaalsContact C-N 3.26Å; S384-D386 PolarHBondContact O-N 3.31Å; S384-T387 PolarHBondContact O-N 2.76Å; S384-F388 WeakPolarHBondContact O-CB 3.38Å; S384-F388 PolarHBondContact O-N 3.5Å
385	I	93.9	Very high	93.4	Very high	31 Å²	31	63.9 Å²	63.9	16%	0.159	32%	0.316	C	S	.	.	H	α-helix	trans	-57.7	-38.1	174.9	-171.5	64.5	0	0	0	112.5	F388 I389 L403 F404 F407	I385-F388 HydrophobicContact CD1-CD1 4.38Å; I385-F388 WeakPolarHBondContact O-CB 3.5Å; I385-F388 PolarHBondContact O-N 3.26Å; I385-I389 HydrophobicContact CG1-CD1 4.25Å; I385-I389 VanDerWaalsContact O-CG1 3.29Å; I385-I389 WeakPolarHBondContact O-CG1 3.47Å; I385-I389 PolarHBondContact O-N 2.9Å; I385-L403 HydrophobicContact CD1-CD2 4.42Å; I385-L403 HydrophobicContact CD1-CG 4.2Å; I385-F404 HydrophobicContact CD1-CD1 4.44Å; I385-F404 HydrophobicContact CG1-CD1 4.45Å; I385-F404 HydrophobicContact CG1-CE1 4.12Å; I385-F407 HydrophobicContact CB-CD2 4.36Å; I385-F407 HydrophobicContact CB-CE2 4.12Å; I385-F407 HydrophobicContact CB-CZ 4.34Å; I385-F407 HydrophobicContact CD1-CB 3.77Å; I385-F407 HydrophobicContact CD1-CD1 4.38Å; I385-F407 HydrophobicContact CD1-CD2 3.48Å; I385-F407 VanDerWaalsContact CD1-CD2 3.48Å; I385-F407 HydrophobicContact CD1-CE2 4.11Å; I385-F407 HydrophobicContact CD1-CG 3.63Å
386	D	94.1	Very high	92.9	Very high	80 Å²	80	61.6 Å²	61.6	43%	0.428	32%	0.315	S	S	.	.	H	α-helix	trans	-67.3	-47	-178.5	-63.4	-57	0	0	0	111.6	S384 F388 I389 S390 R399	S384-D386 VanDerWaalsContact C-N 3.26Å; S384-D386 PolarHBondContact O-N 3.31Å; D386-F388 VanDerWaalsContact C-N 3.26Å; D386-F388 PolarHBondContact O-N 3.47Å; D386-I389 WeakPolarHBondContact O-CB 3.41Å; D386-I389 PolarHBondContact O-N 3.4Å; D386-S390 PolarHBondContact O-N 3.21Å; D386-S390 PolarHBondContact O-OG 3.4Å; D386-R399 IonicContact OD1-CZ 3.91Å; D386-R399 IonicContact OD1-NH2 3.78Å; D386-R399 PolarHBondContact OD1-NH2 2.56Å
387	T	94.5	Very high	92.4	Very high	47 Å²	47	66.4 Å²	66.4	29%	0.288	35%	0.35	S	S	.	.	H	α-helix	trans	-64.6	-33.7	174.8	-53.8	0	0	0	0	111.3	L376 V383 S384 S390 Y391	L376-T387 HydrophobicContact CD2-CG2 4.03Å; V383-T387 HydrophobicContact CB-CG2 3.84Å; V383-T387 HydrophobicContact CG1-CG2 3.65Å; S384-T387 PolarHBondContact O-N 2.76Å; T387-S390 PolarHBondContact O-N 3.42Å; T387-Y391 WeakPolarHBondContact O-CB 3.49Å; T387-Y391 PolarHBondContact O-N 3.15Å
388	F	95.3	Very high	91.8	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-65.8	-41.9	174.1	-175.6	-125.8	0	0	0	112.4	V383 S384 I385 D386 S390 Y391 L392 L403 L406 F407 I418 L420 F423	V383-F388 HydrophobicContact CG2-CB 4.25Å; S384-F388 WeakPolarHBondContact O-CB 3.38Å; S384-F388 PolarHBondContact O-N 3.5Å; I385-F388 HydrophobicContact CD1-CD1 4.38Å; I385-F388 WeakPolarHBondContact O-CB 3.5Å; I385-F388 PolarHBondContact O-N 3.26Å; D386-F388 VanDerWaalsContact C-N 3.26Å; D386-F388 PolarHBondContact O-N 3.47Å; F388-S390 VanDerWaalsContact C-N 3.33Å; F388-S390 PolarHBondContact O-N 3.04Å; F388-Y391 HydrophobicContact CD2-CD1 4.31Å; F388-Y391 HydrophobicContact CE2-CD1 4.44Å; F388-Y391 PolarHBondContact O-N 3.16Å; F388-L392 HydrophobicContact CD1-CD1 4.02Å; F388-L392 HydrophobicContact CD2-CD1 4.37Å; F388-L392 HydrophobicContact CD2-CG 4.15Å; F388-L392 HydrophobicContact CE1-CD1 3.54Å; F388-L392 HydrophobicContact CE1-CG 4.33Å; F388-L392 HydrophobicContact CE2-CD1 3.93Å; F388-L392 HydrophobicContact CE2-CD2 3.95Å; F388-L392 HydrophobicContact CE2-CG 3.87Å; F388-L392 HydrophobicContact CG-CD1 4.44Å; F388-L392 HydrophobicContact CZ-CD1 3.51Å; F388-L392 HydrophobicContact CZ-CD2 4.17Å; F388-L392 HydrophobicContact CZ-CG 3.99Å; F388-L392 WeakPolarHBondContact O-CG 3.36Å; F388-L392 PolarHBondContact O-N 3.19Å; F388-L403 HydrophobicContact CD1-CD1 4.27Å; F388-L403 HydrophobicContact CE1-CD1 4.27Å; F388-L406 HydrophobicContact CE1-CD2 4.41Å; F388-L406 HydrophobicContact CZ-CD2 4.33Å; F388-F407 HydrophobicContact CB-CD2 4.24Å; F388-F407 HydrophobicContact CB-CE2 4.3Å; F388-F407 HydrophobicContact CD1-CB 4.49Å; F388-F407 AromaticContact CD1-CD2 3.74Å; F388-F407 HydrophobicContact CD1-CD2 3.74Å; F388-F407 HydrophobicContact CE1-CB 4.48Å; F388-F407 HydrophobicContact CE1-CD2 4.36Å; F388-F407 HydrophobicContact CG-CD2 4.19Å; F388-I418 HydrophobicContact CB-CD1 4.47Å; F388-I418 HydrophobicContact CD1-CD1 4.11Å; F388-I418 HydrophobicContact CD2-CD1 3.65Å; F388-I418 HydrophobicContact CE1-CD1 4.15Å; F388-I418 HydrophobicContact CE2-CD1 3.71Å; F388-I418 HydrophobicContact CG-CD1 3.83Å; F388-I418 HydrophobicContact CZ-CD1 3.94Å; F388-L420 HydrophobicContact CD2-CD2 3.72Å; F388-L420 HydrophobicContact CE2-CD2 4.1Å; F388-F423 HydrophobicContact CE2-CD1 4.24Å; F388-F423 HydrophobicContact CE2-CD2 4.09Å; F388-F423 HydrophobicContact CE2-CE1 4.29Å; F388-F423 HydrophobicContact CE2-CE2 4.16Å; F388-F423 HydrophobicContact CE2-CG 4.13Å; F388-F423 HydrophobicContact CE2-CZ 4.26Å; F388-F423 AromaticContact CZ-CD2 3.98Å; F388-F423 HydrophobicContact CZ-CD2 3.98Å; F388-F423 AromaticContact CZ-CE2 3.84Å; F388-F423 HydrophobicContact CZ-CE2 3.84Å; F388-F423 HydrophobicContact CZ-CG 4.49Å; F388-F423 HydrophobicContact CZ-CZ 4.21Å
389	I	94.5	Very high	91.6	Very high	2 Å²	2	65.9 Å²	65.9	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-57.9	-47.4	173.2	-71.2	165	0	0	0	110.4	I385 D386 Y391 L392 K393 L394 R399 L403	I385-I389 HydrophobicContact CG1-CD1 4.25Å; I385-I389 VanDerWaalsContact O-CG1 3.29Å; I385-I389 WeakPolarHBondContact O-CG1 3.47Å; I385-I389 PolarHBondContact O-N 2.9Å; D386-I389 WeakPolarHBondContact O-CB 3.41Å; D386-I389 PolarHBondContact O-N 3.4Å; I389-Y391 VanDerWaalsContact C-N 3.35Å; I389-Y391 PolarHBondContact O-N 3.33Å; I389-L392 PolarHBondContact O-N 3.03Å; I389-K393 PolarHBondContact O-N 3.05Å; I389-K393 VanDerWaalsContact O-N 3.11Å; I389-L394 HydrophobicContact CG2-CB 4.1Å; I389-L394 VanDerWaalsContact CG2-O 3.3Å; I389-L394 WeakPolarHBondContact CG2-O 3.39Å; I389-L394 PolarHBondContact O-N 3.24Å; I389-R399 HydrophobicContact CD1-CG 4.24Å; I389-L403 HydrophobicContact CD1-CD2 3.73Å; I389-L403 HydrophobicContact CG1-CD1 4.39Å; I389-L403 HydrophobicContact CG1-CD2 3.56Å
390	S	92.9	Very high	91.5	Very high	78 Å²	78	64.9 Å²	64.9	55%	0.545	34%	0.341	S	S	.	.	H	α-helix	trans	-61.3	-42.8	176.9	-57.7	0	0	0	0	112	D386 T387 F388 K393	D386-S390 PolarHBondContact O-N 3.21Å; D386-S390 PolarHBondContact O-OG 3.4Å; T387-S390 PolarHBondContact O-N 3.42Å; F388-S390 VanDerWaalsContact C-N 3.33Å; F388-S390 PolarHBondContact O-N 3.04Å; S390-K393 PolarHBondContact O-N 2.85Å
391	Y	92.7	Very high	91.4	Very high	70 Å²	70	63.4 Å²	63.4	28%	0.275	34%	0.341	S	S	.	.	H	α-helix	trans	-61.6	-43.4	176.7	174.1	-103	0	0	0	112.4	L370 T387 F388 I389 K393 L420 F423 L424	L370-Y391 HydrophobicContact CD1-CD2 4.28Å; L370-Y391 HydrophobicContact CD1-CE2 3.66Å; T387-Y391 WeakPolarHBondContact O-CB 3.49Å; T387-Y391 PolarHBondContact O-N 3.15Å; F388-Y391 HydrophobicContact CD2-CD1 4.31Å; F388-Y391 HydrophobicContact CE2-CD1 4.44Å; F388-Y391 PolarHBondContact O-N 3.16Å; I389-Y391 VanDerWaalsContact C-N 3.35Å; I389-Y391 PolarHBondContact O-N 3.33Å; Y391-K393 PolarHBondContact O-N 3.33Å; Y391-L420 HydrophobicContact CD1-CD1 4.39Å; Y391-L420 HydrophobicContact CD1-CD2 3.8Å; Y391-L420 HydrophobicContact CD2-CD1 4.05Å; Y391-L420 HydrophobicContact CE1-CD2 4.12Å; Y391-L420 HydrophobicContact CE2-CD1 4.41Å; Y391-L420 HydrophobicContact CG-CD1 4.04Å; Y391-L420 HydrophobicContact CG-CD2 4.21Å; Y391-F423 HydrophobicContact CE1-CD1 4.1Å; Y391-F423 HydrophobicContact CE1-CE1 4.03Å; Y391-L424 VanDerWaalsContact OH-CD2 3.31Å; Y391-L424 WeakPolarHBondContact OH-CD2 3.29Å
392	L	92.6	Very high	91.2	Very high	25 Å²	25	64.9 Å²	64.9	13%	0.131	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-3.5	175.4	-64.1	-176.5	0	0	0	113.5	L352 F388 I389 L394 L403 F423	L352-L392 HydrophobicContact CD1-CD1 3.87Å; L352-L392 HydrophobicContact CD1-CD2 4.08Å; L352-L392 HydrophobicContact CD2-CB 4.25Å; L352-L392 HydrophobicContact CD2-CD1 4.23Å; L352-L392 HydrophobicContact CD2-CD2 4.02Å; L352-L392 HydrophobicContact CD2-CG 4.4Å; F388-L392 HydrophobicContact CD1-CD1 4.02Å; F388-L392 HydrophobicContact CD2-CD1 4.37Å; F388-L392 HydrophobicContact CD2-CG 4.15Å; F388-L392 HydrophobicContact CE1-CD1 3.54Å; F388-L392 HydrophobicContact CE1-CG 4.33Å; F388-L392 HydrophobicContact CE2-CD1 3.93Å; F388-L392 HydrophobicContact CE2-CD2 3.95Å; F388-L392 HydrophobicContact CE2-CG 3.87Å; F388-L392 HydrophobicContact CG-CD1 4.44Å; F388-L392 HydrophobicContact CZ-CD1 3.51Å; F388-L392 HydrophobicContact CZ-CD2 4.17Å; F388-L392 HydrophobicContact CZ-CG 3.99Å; F388-L392 WeakPolarHBondContact O-CG 3.36Å; F388-L392 PolarHBondContact O-N 3.19Å; I389-L392 PolarHBondContact O-N 3.03Å; L392-L394 HydrophobicContact CB-CD1 3.98Å; L392-L394 HydrophobicContact CB-CG 3.87Å; L392-L394 HydrophobicContact CD1-CD1 3.9Å; L392-L394 PolarHBondContact O-N 3.15Å; L392-L403 HydrophobicContact CD1-CD1 4.26Å; L392-F423 HydrophobicContact CD2-CE1 3.88Å; L392-F423 HydrophobicContact CD2-CZ 3.76Å
393	K	91.2	Very high	91.1	Very high	196 Å²	196	63.3 Å²	63.3	85%	0.852	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	32.2	-175.4	-54.1	-179.4	-179.4	-179.9	0	113.1	I389 S390 Y391	I389-K393 PolarHBondContact O-N 3.05Å; I389-K393 VanDerWaalsContact O-N 3.11Å; S390-K393 PolarHBondContact O-N 2.85Å; Y391-K393 PolarHBondContact O-N 3.33Å
394	L	89.8	Confident	91	Very high	40 Å²	40	66.8 Å²	66.8	21%	0.209	35%	0.35	C	S	.	.			trans	-85.6	148.5	176.4	-66.4	175.9	0	0	0	110.4	I389 L392 S396 L403	I389-L394 HydrophobicContact CG2-CB 4.1Å; I389-L394 VanDerWaalsContact CG2-O 3.3Å; I389-L394 WeakPolarHBondContact CG2-O 3.39Å; I389-L394 PolarHBondContact O-N 3.24Å; L392-L394 HydrophobicContact CB-CD1 3.98Å; L392-L394 HydrophobicContact CB-CG 3.87Å; L392-L394 HydrophobicContact CD1-CD1 3.9Å; L392-L394 PolarHBondContact O-N 3.15Å; L394-S396 PolarHBondContact O-N 3.23Å; L394-L403 HydrophobicContact CD1-CD1 4.01Å
395	P	87.6	Confident	90.9	Very high	74 Å²	74	69.1 Å²	69.1	48%	0.481	35%	0.354	S	S	.	.			trans	-67.7	126.4	178.5	26.4	-32.9	0	0	0	111.2	S397 R398	P395-S397 PolarHBondContact O-N 3.04Å; P395-R398 HydrophobicContact CG-CB 4.05Å; P395-R398 PolarHBondContact O-N 3.09Å
396	S	83	Confident	90.9	Very high	84 Å²	84	67.7 Å²	67.7	59%	0.587	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.8	-177.6	-51.4	0	0	0	0	114.5	L394	L394-S396 PolarHBondContact O-N 3.23Å
397	S	83.5	Confident	91	Very high	119 Å²	119	64.1 Å²	64.1	83%	0.832	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-26.3	177.7	56.1	0	0	0	0	113.6	P395	P395-S397 PolarHBondContact O-N 3.04Å
398	R	79.5	Confident	90.9	Very high	179 Å²	179	62 Å²	62	68%	0.675	31%	0.314	S	S	*	.			trans	-103.8	101.3	-176.6	-162.1	-175.2	179.8	-166.8	-1	109.7	P395 P400	P395-R398 HydrophobicContact CG-CB 4.05Å; P395-R398 PolarHBondContact O-N 3.09Å; R398-P400 VanDerWaalsContact C-CD 3.43Å; R398-P400 WeakPolarHBondContact O-CD 3.4Å
399	R	88.4	Confident	90.8	Very high	127 Å²	127	62.1 Å²	62.1	48%	0.479	32%	0.315	S	S	.	.			trans	-108.9	77.1	174.5	-65.4	-175.5	175.6	162.3	-4.6	110.6	D386 I389 F404	D386-R399 IonicContact OD1-CZ 3.91Å; D386-R399 IonicContact OD1-NH2 3.78Å; D386-R399 PolarHBondContact OD1-NH2 2.56Å; I389-R399 HydrophobicContact CD1-CG 4.24Å; R399-F404 HydrophobicContact CB-CE2 3.85Å; R399-F404 HydrophobicContact CB-CZ 4.13Å
400	P	90.4	Very high	90.7	Very high	25 Å²	25	62.2 Å²	62.2	16%	0.162	32%	0.315	C	S	.	.			trans	-68	152.1	179.5	31.9	-35.9	0	0	0	110.5	L350 R398 E402 L403	L350-P400 HydrophobicContact CD2-CG 3.74Å; R398-P400 VanDerWaalsContact C-CD 3.43Å; R398-P400 WeakPolarHBondContact O-CD 3.4Å; P400-E402 WeakPolarHBondContact CB-OE2 3.15Å; P400-E402 PolarHBondContact O-N 3.3Å; P400-E402 VanDerWaalsContact O-N 3.11Å; P400-L403 HydrophobicContact CG-CB 4.08Å; P400-L403 WeakPolarHBondContact O-CB 3.43Å; P400-L403 PolarHBondContact O-N 2.68Å; P400-L403 VanDerWaalsContact O-N 3.07Å
401	P	90.9	Very high	90.8	Very high	73 Å²	73	58.6 Å²	58.6	47%	0.474	29%	0.29	S	S	.	.	H	α-helix	trans	-53.5	-32.7	177.1	-26.8	34.8	0	0	0	113.8	L403 F404 R405	P401-L403 VanDerWaalsContact C-N 3.27Å; P401-L403 PolarHBondContact O-N 3.41Å; P401-F404 PolarHBondContact O-N 2.85Å; P401-R405 VanDerWaalsContact O-CG 3.31Å; P401-R405 WeakPolarHBondContact O-CG 3.33Å; P401-R405 PolarHBondContact O-N 3.33Å
402	E	92.6	Very high	90.6	Very high	45 Å²	45	55.6 Å²	55.6	21%	0.21	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-36	179.4	-66.8	63.4	-136.9	0	0	112.2	L346 Q349 L350 P400 R405 L406	L346-E402 HydrophobicContact CD2-CB 4.01Å; L346-E402 HydrophobicContact CD2-CG 4.14Å; Q349-E402 HydrophobicContact CB-CG 4.37Å; Q349-E402 VanDerWaalsContact OE1-CG 3.26Å; L350-E402 HydrophobicContact CD2-CB 4.32Å; L350-E402 HydrophobicContact CG-CB 4.4Å; P400-E402 WeakPolarHBondContact CB-OE2 3.15Å; P400-E402 PolarHBondContact O-N 3.3Å; P400-E402 VanDerWaalsContact O-N 3.11Å; E402-R405 PolarHBondContact O-N 3.17Å; E402-R405 IonicContact OE1-CZ 3.51Å; E402-R405 IonicContact OE1-NH1 3.53Å; E402-R405 PolarHBondContact OE1-NH1 3.42Å; E402-L406 WeakPolarHBondContact O-CB 3.39Å; E402-L406 PolarHBondContact O-N 2.72Å
403	L	94.3	Very high	90.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.2	-46.4	176.4	173.9	68.5	0	0	0	111.4	L350 I385 F388 I389 L392 L394 P400 P401 L406 F407	L350-L403 HydrophobicContact CD1-CB 4.44Å; L350-L403 HydrophobicContact CD2-CB 4.3Å; I385-L403 HydrophobicContact CD1-CD2 4.42Å; I385-L403 HydrophobicContact CD1-CG 4.2Å; F388-L403 HydrophobicContact CD1-CD1 4.27Å; F388-L403 HydrophobicContact CE1-CD1 4.27Å; I389-L403 HydrophobicContact CD1-CD2 3.73Å; I389-L403 HydrophobicContact CG1-CD1 4.39Å; I389-L403 HydrophobicContact CG1-CD2 3.56Å; L392-L403 HydrophobicContact CD1-CD1 4.26Å; L394-L403 HydrophobicContact CD1-CD1 4.01Å; P400-L403 HydrophobicContact CG-CB 4.08Å; P400-L403 WeakPolarHBondContact O-CB 3.43Å; P400-L403 PolarHBondContact O-N 2.68Å; P400-L403 VanDerWaalsContact O-N 3.07Å; P401-L403 VanDerWaalsContact C-N 3.27Å; P401-L403 PolarHBondContact O-N 3.41Å; L403-L406 PolarHBondContact O-N 2.77Å; L403-F407 WeakPolarHBondContact O-CB 3.27Å; L403-F407 PolarHBondContact O-N 2.98Å
404	F	93.7	Very high	90.5	Very high	75 Å²	75	46.9 Å²	46.9	33%	0.329	24%	0.241	S	C	.	.	H	α-helix	trans	-67.4	-38.6	178.1	-66.5	-78	0	0	0	111.7	I385 R399 P401 L406 F407 N408	I385-F404 HydrophobicContact CD1-CD1 4.44Å; I385-F404 HydrophobicContact CG1-CD1 4.45Å; I385-F404 HydrophobicContact CG1-CE1 4.12Å; R399-F404 HydrophobicContact CB-CE2 3.85Å; R399-F404 HydrophobicContact CB-CZ 4.13Å; P401-F404 PolarHBondContact O-N 2.85Å; F404-L406 VanDerWaalsContact C-N 3.34Å; F404-L406 PolarHBondContact O-N 2.94Å; F404-F407 PolarHBondContact O-N 3.47Å; F404-N408 VanDerWaalsContact O-CB 3.26Å; F404-N408 WeakPolarHBondContact O-CB 3.42Å; F404-N408 PolarHBondContact O-N 3.17Å; F404-N408 PolarHBondContact O-ND2 3.38Å
405	R	93.4	Very high	90.5	Very high	82 Å²	82	50.9 Å²	50.9	31%	0.309	25%	0.253	S	S	.	.	H	α-helix	trans	-59.2	-46.8	173.8	-67.9	170.6	-175.6	152.4	9.6	111	Y331 L346 P401 E402 N408 M409	Y331-R405 HydrophobicContact CD1-CB 3.95Å; Y331-R405 HydrophobicContact CD2-CB 4.16Å; Y331-R405 HydrophobicContact CD2-CG 3.98Å; Y331-R405 HydrophobicContact CE1-CB 3.82Å; Y331-R405 HydrophobicContact CE1-CG 4.12Å; Y331-R405 HydrophobicContact CE2-CB 4.04Å; Y331-R405 HydrophobicContact CE2-CG 3.54Å; Y331-R405 HydrophobicContact CG-CB 4.13Å; Y331-R405 HydrophobicContact CG-CG 4.46Å; Y331-R405 WeakPolarHBondContact OH-CD 3.34Å; L346-R405 HydrophobicContact CD1-CB 3.9Å; L346-R405 HydrophobicContact CD2-CB 4.07Å; P401-R405 VanDerWaalsContact O-CG 3.31Å; P401-R405 WeakPolarHBondContact O-CG 3.33Å; P401-R405 PolarHBondContact O-N 3.33Å; E402-R405 PolarHBondContact O-N 3.17Å; E402-R405 IonicContact OE1-CZ 3.51Å; E402-R405 IonicContact OE1-NH1 3.53Å; E402-R405 PolarHBondContact OE1-NH1 3.42Å; R405-N408 PolarHBondContact O-N 3.07Å; R405-M409 WeakPolarHBondContact O-CG 3.49Å; R405-M409 PolarHBondContact O-N 3.36Å
406	L	94	Very high	90.7	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-49.9	177.2	-179.6	64.4	0	0	0	111.1	F343 L346 L350 L352 F388 E402 L403 F404 N408 M409 F410 F423	F343-L406 HydrophobicContact CD2-CD1 3.53Å; F343-L406 HydrophobicContact CE2-CD1 3.7Å; L346-L406 HydrophobicContact CB-CB 4.42Å; L346-L406 HydrophobicContact CB-CD1 4.39Å; L346-L406 HydrophobicContact CD1-CB 4.45Å; L350-L406 HydrophobicContact CD1-CB 4.27Å; L350-L406 HydrophobicContact CD1-CD2 3.68Å; L352-L406 HydrophobicContact CD1-CD2 3.59Å; F388-L406 HydrophobicContact CE1-CD2 4.41Å; F388-L406 HydrophobicContact CZ-CD2 4.33Å; E402-L406 WeakPolarHBondContact O-CB 3.39Å; E402-L406 PolarHBondContact O-N 2.72Å; L403-L406 PolarHBondContact O-N 2.77Å; F404-L406 VanDerWaalsContact C-N 3.34Å; F404-L406 PolarHBondContact O-N 2.94Å; L406-N408 VanDerWaalsContact C-N 3.32Å; L406-N408 PolarHBondContact O-N 3.31Å; L406-M409 HydrophobicContact CD1-SD 4.48Å; L406-M409 VanDerWaalsContact O-CB 3.29Å; L406-M409 WeakPolarHBondContact O-CB 3.5Å; L406-M409 PolarHBondContact O-N 2.85Å; L406-M409 VanDerWaalsContact O-N 3.07Å; L406-F410 HydrophobicContact CD1-CE2 4.08Å; L406-F410 VanDerWaalsContact O-CD2 3.27Å; L406-F410 WeakPolarHBondContact O-CD2 3.47Å; L406-F423 HydrophobicContact CD2-CE2 4.31Å
407	F	95.4	Very high	91.2	Very high	5 Å²	5	54.4 Å²	54.4	2%	0.022	24%	0.244	C	C	.	.	H	α-helix	trans	-56.4	-46.1	177.3	-176.5	-88.4	0	0	0	111.9	I385 F388 L403 F404 M409 F410 D411 I418	I385-F407 HydrophobicContact CB-CD2 4.36Å; I385-F407 HydrophobicContact CB-CE2 4.12Å; I385-F407 HydrophobicContact CB-CZ 4.34Å; I385-F407 HydrophobicContact CD1-CB 3.77Å; I385-F407 HydrophobicContact CD1-CD1 4.38Å; I385-F407 HydrophobicContact CD1-CD2 3.48Å; I385-F407 VanDerWaalsContact CD1-CD2 3.48Å; I385-F407 HydrophobicContact CD1-CE2 4.11Å; I385-F407 HydrophobicContact CD1-CG 3.63Å; F388-F407 HydrophobicContact CB-CD2 4.24Å; F388-F407 HydrophobicContact CB-CE2 4.3Å; F388-F407 HydrophobicContact CD1-CB 4.49Å; F388-F407 AromaticContact CD1-CD2 3.74Å; F388-F407 HydrophobicContact CD1-CD2 3.74Å; F388-F407 HydrophobicContact CE1-CB 4.48Å; F388-F407 HydrophobicContact CE1-CD2 4.36Å; F388-F407 HydrophobicContact CG-CD2 4.19Å; L403-F407 WeakPolarHBondContact O-CB 3.27Å; L403-F407 PolarHBondContact O-N 2.98Å; F404-F407 PolarHBondContact O-N 3.47Å; F407-M409 PolarHBondContact O-N 2.87Å; F407-M409 VanDerWaalsContact O-N 3.17Å; F407-F410 PolarHBondContact O-N 3.42Å; F407-D411 HydrophobicContact CD1-CB 4.14Å; F407-D411 HydrophobicContact CE1-CB 3.93Å; F407-D411 PolarHBondContact O-N 3.49Å; F407-D411 VanDerWaalsContact O-N 3.09Å; F407-I418 HydrophobicContact CD1-CG2 4.02Å; F407-I418 HydrophobicContact CD2-CD1 3.72Å; F407-I418 HydrophobicContact CD2-CG1 4.02Å; F407-I418 HydrophobicContact CD2-CG2 3.82Å; F407-I418 HydrophobicContact CE1-CG2 3.83Å; F407-I418 HydrophobicContact CE2-CB 4.23Å; F407-I418 HydrophobicContact CE2-CD1 3.94Å; F407-I418 HydrophobicContact CE2-CG1 3.7Å; F407-I418 HydrophobicContact CE2-CG2 3.64Å; F407-I418 HydrophobicContact CG-CG2 4.03Å; F407-I418 HydrophobicContact CZ-CB 4.5Å; F407-I418 HydrophobicContact CZ-CG1 4.41Å; F407-I418 HydrophobicContact CZ-CG2 3.64Å; F407-I418 WeakPolarHBondContact O-CG2 3.33Å
408	N	93.4	Very high	91.8	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-65	-18.6	179.6	-70.8	-12.6	0	0	0	113.3	D328 Y331 L332 F404 R405 L406 F410	D328-N408 PolarHBondContact OD1-ND2 3.23Å; Y331-N408 CarbonylContact C-O 3.6Å; Y331-N408 VanDerWaalsContact O-O 3.14Å; L332-N408 HydrophobicContact CD2-CB 4.07Å; L332-N408 WeakPolarHBondContact CD2-O 3.3Å; L332-N408 HydrophobicContact CG-CB 4.23Å; F404-N408 VanDerWaalsContact O-CB 3.26Å; F404-N408 WeakPolarHBondContact O-CB 3.42Å; F404-N408 PolarHBondContact O-N 3.17Å; F404-N408 PolarHBondContact O-ND2 3.38Å; R405-N408 PolarHBondContact O-N 3.07Å; L406-N408 VanDerWaalsContact C-N 3.32Å; L406-N408 PolarHBondContact O-N 3.31Å; N408-F410 PolarHBondContact O-N 3.39Å
409	M	92.4	Very high	92.6	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-62.3	-28.5	171.1	-63.8	-173.9	65.4	0	0	112.5	Y331 R339 F343 L346 R405 L406 F407 R464 L465	Y331-M409 HydrophobicContact CD1-CG 4.08Å; Y331-M409 WeakPolarHBondContact O-CA 3.41Å; R339-M409 HydrophobicContact CB-CE 4.06Å; F343-M409 HydrophobicContact CB-CE 3.69Å; F343-M409 HydrophobicContact CB-SD 4.11Å; L346-M409 HydrophobicContact CD1-SD 3.82Å; R405-M409 WeakPolarHBondContact O-CG 3.49Å; R405-M409 PolarHBondContact O-N 3.36Å; L406-M409 HydrophobicContact CD1-SD 4.48Å; L406-M409 VanDerWaalsContact O-CB 3.29Å; L406-M409 WeakPolarHBondContact O-CB 3.5Å; L406-M409 PolarHBondContact O-N 2.85Å; L406-M409 VanDerWaalsContact O-N 3.07Å; F407-M409 PolarHBondContact O-N 2.87Å; F407-M409 VanDerWaalsContact O-N 3.17Å; M409-R464 PolarHBondContact O-NH1 2.82Å; M409-R464 PolarHBondContact O-NH2 2.69Å; M409-L465 HydrophobicContact CE-CD2 4.39Å
410	F	94	Very high	93	Very high	5 Å²	5	34.7 Å²	34.7	2%	0.022	15%	0.152	C	C	.	.	H	α-helix	trans	-103.8	-21.7	-178.2	-57.6	-84.7	0	0	0	112.6	F343 L406 F407 N408 W412 I418 E422 F423 V426 L465	F343-F410 HydrophobicContact CD2-CE2 4.16Å; F343-F410 AromaticContact CD2-CZ 3.96Å; F343-F410 HydrophobicContact CD2-CZ 3.96Å; F343-F410 AromaticContact CE2-CE2 3.98Å; F343-F410 HydrophobicContact CE2-CE2 3.98Å; F343-F410 AromaticContact CE2-CZ 3.65Å; F343-F410 HydrophobicContact CE2-CZ 3.65Å; L406-F410 HydrophobicContact CD1-CE2 4.08Å; L406-F410 VanDerWaalsContact O-CD2 3.27Å; L406-F410 WeakPolarHBondContact O-CD2 3.47Å; F407-F410 PolarHBondContact O-N 3.42Å; N408-F410 PolarHBondContact O-N 3.39Å; F410-W412 PolarHBondContact O-N 3.36Å; F410-I418 HydrophobicContact CB-CB 3.75Å; F410-I418 HydrophobicContact CB-CD1 4.41Å; F410-I418 HydrophobicContact CB-CG2 3.59Å; F410-E422 HydrophobicContact CD1-CB 4.17Å; F410-E422 HydrophobicContact CD1-CG 3.73Å; F410-E422 HydrophobicContact CE1-CG 4.16Å; F410-F423 HydrophobicContact CD1-CB 4.46Å; F410-F423 HydrophobicContact CD2-CD2 4.31Å; F410-F423 HydrophobicContact CE1-CB 4.2Å; F410-F423 HydrophobicContact CE1-CD2 4.36Å; F410-F423 AromaticContact CE2-CD2 3.64Å; F410-F423 HydrophobicContact CE2-CD2 3.64Å; F410-F423 HydrophobicContact CE2-CE2 4.34Å; F410-F423 HydrophobicContact CZ-CB 4.34Å; F410-F423 AromaticContact CZ-CD2 3.67Å; F410-F423 HydrophobicContact CZ-CD2 3.67Å; F410-F423 HydrophobicContact CZ-CG 4.47Å; F410-V426 HydrophobicContact CE1-CB 4.02Å; F410-V426 HydrophobicContact CE1-CG1 4.48Å; F410-V426 HydrophobicContact CE1-CG2 3.84Å; F410-V426 HydrophobicContact CZ-CB 4.13Å; F410-V426 HydrophobicContact CZ-CG1 4.24Å; F410-V426 HydrophobicContact CZ-CG2 4.39Å; F410-L465 HydrophobicContact CD1-CD1 3.89Å; F410-L465 HydrophobicContact CE1-CD1 3.56Å; F410-L465 HydrophobicContact CZ-CD1 4.04Å
411	D	93.3	Very high	93.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	15%	0.149	C	C	.	.			trans	-82.5	38.4	176.1	-169.7	25.6	0	0	0	112.7	Y324 L332 F407 Q413 C414 R415 R416 I418	Y324-D411 PolarHBondContact OH-OD2 3.22Å; L332-D411 HydrophobicContact CD2-CB 4.34Å; L332-D411 WeakPolarHBondContact CD2-O 3.35Å; F407-D411 HydrophobicContact CD1-CB 4.14Å; F407-D411 HydrophobicContact CE1-CB 3.93Å; F407-D411 PolarHBondContact O-N 3.49Å; F407-D411 VanDerWaalsContact O-N 3.09Å; D411-Q413 PolarHBondContact O-N 2.91Å; D411-Q413 VanDerWaalsContact O-N 3.16Å; D411-C414 WeakPolarHBondContact O-CA 3.42Å; D411-C414 PolarHBondContact O-N 2.55Å; D411-R415 PolarHBondContact OD1-N 2.81Å; D411-R416 PolarHBondContact OD1-N 3.36Å; D411-R416 WeakPolarHBondContact OD2-CA 3.27Å; D411-R416 PolarHBondContact OD2-N 2.92Å; D411-R416 VanDerWaalsContact OD2-N 3.11Å; D411-I418 HydrophobicContact CB-CG2 3.92Å
412	W	89.2	Confident	93.5	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.027	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.7	-175.7	61.1	-88.6	0	0	0	113.5	S18 F410 C414 V457 V460 V471	S18-W412 WeakPolarHBondContact CB-O 3.46Å; F410-W412 PolarHBondContact O-N 3.36Å; W412-C414 VanDerWaalsContact C-N 3.25Å; W412-V457 HydrophobicContact CH2-CG1 4.47Å; W412-V457 HydrophobicContact CZ2-CG1 4.36Å; W412-V460 HydrophobicContact CH2-CB 4.19Å; W412-V460 HydrophobicContact CH2-CG1 3.74Å; W412-V460 HydrophobicContact CZ2-CB 4.05Å; W412-V460 HydrophobicContact CZ2-CG1 3.54Å; W412-V460 HydrophobicContact CZ3-CG1 4.41Å; W412-V471 HydrophobicContact CD2-CG2 4.02Å; W412-V471 HydrophobicContact CE3-CB 4.47Å; W412-V471 HydrophobicContact CE3-CG1 4.09Å; W412-V471 HydrophobicContact CE3-CG2 3.51Å; W412-V471 HydrophobicContact CH2-CG1 4.22Å; W412-V471 HydrophobicContact CZ3-CB 4.43Å; W412-V471 HydrophobicContact CZ3-CG1 3.59Å; W412-V471 HydrophobicContact CZ3-CG2 3.9Å
413	Q	89.7	Confident	93.6	Very high	26 Å²	26	29.7 Å²	29.7	12%	0.121	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.9	171.6	-62.1	-172.9	-64.6	0	0	113.1	W15 D411 R415	W15-Q413 HydrophobicContact CZ2-CB 4.13Å; W15-Q413 PolarHBondContact NE1-O 3.32Å; D411-Q413 PolarHBondContact O-N 2.91Å; D411-Q413 VanDerWaalsContact O-N 3.16Å; Q413-R415 HydrophobicContact CB-CG 4.03Å; Q413-R415 PolarHBondContact O-N 3.12Å
414	C	91.2	Very high	93.7	Very high	12 Å²	12	29.8 Å²	29.8	8%	0.081	12%	0.119	C	C	.	.			trans	53.3	48.7	-176.7	-67.2	0	0	0	0	113.2	Y324 D411 W412	Y324-C414 HydrophobicContact CD2-CB 4.23Å; Y324-C414 HydrophobicContact CE2-CB 3.48Å; Y324-C414 VanDerWaalsContact CE2-CB 3.48Å; Y324-C414 WeakPolarHBondContact OH-CA 3.46Å; Y324-C414 PolarHBondContact OH-O 3.38Å; D411-C414 WeakPolarHBondContact O-CA 3.42Å; D411-C414 PolarHBondContact O-N 2.55Å; W412-C414 VanDerWaalsContact C-N 3.25Å
415	R	90.1	Very high	93.8	Very high	125 Å²	125	26.2 Å²	26.2	47%	0.472	10%	0.104	S	C	.	.	S	Bend	trans	-100.7	-1.2	178.9	-71.5	-177	175.5	-172.5	-0	113.1	W15 D411 Q413 R417	W15-R415 HydrophobicContact CG-CG 4.41Å; D411-R415 PolarHBondContact OD1-N 2.81Å; Q413-R415 HydrophobicContact CB-CG 4.03Å; Q413-R415 PolarHBondContact O-N 3.12Å; R415-R417 PolarHBondContact O-N 3.03Å
416	R	91.4	Very high	93.8	Very high	96 Å²	96	22.3 Å²	22.3	36%	0.362	9%	0.089	S	C	.	.	S	Bend	trans	58.2	23.8	-170.4	-59.8	-67.2	-176.4	168.3	-4.2	112.6	D323 Y324 D411	D323-R416 PolarHBondContact O-NH2 3.39Å; Y324-R416 VanDerWaalsContact N-NH2 3.11Å; Y324-R416 WeakPolarHBondContact OH-CD 3.3Å; Y324-R416 PolarHBondContact OH-N 3.12Å; Y324-R416 PolarHBondContact OH-NE 3.33Å; D411-R416 PolarHBondContact OD1-N 3.36Å; D411-R416 WeakPolarHBondContact OD2-CA 3.27Å; D411-R416 PolarHBondContact OD2-N 2.92Å; D411-R416 VanDerWaalsContact OD2-N 3.11Å
417	R	94.3	Very high	93.8	Very high	136 Å²	136	22.5 Å²	22.5	51%	0.513	9%	0.09	S	C	.	.			trans	-142.5	139	179.4	-67.6	-175.5	179.3	-100.6	-3	109.3	A382 V383 R415	A382-R417 PolarHBondContact O-NH1 3.24Å; A382-R417 VanDerWaalsContact O-NH1 3.16Å; V383-R417 CarbonylContact O-C 3.39Å; V383-R417 WeakPolarHBondContact O-CA 3.42Å; R415-R417 PolarHBondContact O-N 3.03Å
418	I	95.9	Very high	93.7	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.015	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	153.7	176.4	67.7	170.6	0	0	0	109.6	A382 V383 F388 F407 F410 D411	A382-I418 CarbonylContact C-O 3.56Å; A382-I418 WeakPolarHBondContact CA-O 3.37Å; V383-I418 HydrophobicContact CG2-CG1 3.83Å; V383-I418 PolarHBondContact N-O 3.19Å; V383-I418 PolarHBondContact O-N 3.37Å; F388-I418 HydrophobicContact CB-CD1 4.47Å; F388-I418 HydrophobicContact CD1-CD1 4.11Å; F388-I418 HydrophobicContact CD2-CD1 3.65Å; F388-I418 HydrophobicContact CE1-CD1 4.15Å; F388-I418 HydrophobicContact CE2-CD1 3.71Å; F388-I418 HydrophobicContact CG-CD1 3.83Å; F388-I418 HydrophobicContact CZ-CD1 3.94Å; F407-I418 HydrophobicContact CD1-CG2 4.02Å; F407-I418 HydrophobicContact CD2-CD1 3.72Å; F407-I418 HydrophobicContact CD2-CG1 4.02Å; F407-I418 HydrophobicContact CD2-CG2 3.82Å; F407-I418 HydrophobicContact CE1-CG2 3.83Å; F407-I418 HydrophobicContact CE2-CB 4.23Å; F407-I418 HydrophobicContact CE2-CD1 3.94Å; F407-I418 HydrophobicContact CE2-CG1 3.7Å; F407-I418 HydrophobicContact CE2-CG2 3.64Å; F407-I418 HydrophobicContact CG-CG2 4.03Å; F407-I418 HydrophobicContact CZ-CB 4.5Å; F407-I418 HydrophobicContact CZ-CG1 4.41Å; F407-I418 HydrophobicContact CZ-CG2 3.64Å; F407-I418 WeakPolarHBondContact O-CG2 3.33Å; F410-I418 HydrophobicContact CB-CB 3.75Å; F410-I418 HydrophobicContact CB-CD1 4.41Å; F410-I418 HydrophobicContact CB-CG2 3.59Å; D411-I418 HydrophobicContact CB-CG2 3.92Å
419	D	96.3	Very high	93.5	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.043	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	115.8	173.8	-163.3	-39	0	0	0	109.4	R421 E422 F423 K461	D419-R421 PolarHBondContact O-N 3.12Å; D419-R421 VanDerWaalsContact O-N 3.14Å; D419-R421 WeakPolarHBondContact OD1-CB 3.29Å; D419-R421 WeakPolarHBondContact OD1-CG 3.28Å; D419-R421 IonicContact OD1-CZ 3.68Å; D419-R421 PolarHBondContact OD1-N 3.17Å; D419-R421 IonicContact OD1-NE 3.91Å; D419-R421 PolarHBondContact OD1-NE 2.97Å; D419-R421 IonicContact OD1-NH2 3.87Å; D419-R421 IonicContact OD2-CZ 2.69Å; D419-R421 IonicContact OD2-NE 2.66Å; D419-R421 PolarHBondContact OD2-NE 2.8Å; D419-R421 IonicContact OD2-NH2 2.6Å; D419-R421 PolarHBondContact OD2-NH2 3.4Å; D419-E422 HydrophobicContact CB-CB 4.28Å; D419-E422 WeakPolarHBondContact O-CB 3.43Å; D419-E422 PolarHBondContact O-N 3.04Å; D419-F423 PolarHBondContact O-N 3.01Å; D419-K461 HydrophobicContact CB-CD 4.02Å; D419-K461 IonicContact OD2-NZ 3.68Å; D419-K461 PolarHBondContact OD2-NZ 2.8Å
420	L	97	Very high	93.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61	-23.9	179.7	-69.4	-179.7	0	0	0	112.6	L370 L376 Y381 V383 F388 Y391 F423 L424	L370-L420 HydrophobicContact CD1-CB 4.32Å; L370-L420 HydrophobicContact CD1-CD1 3.84Å; L370-L420 HydrophobicContact CD2-CB 3.82Å; L376-L420 HydrophobicContact CD1-CD1 4.02Å; L376-L420 HydrophobicContact CD2-CD1 4.13Å; Y381-L420 PolarHBondContact O-N 3.13Å; V383-L420 HydrophobicContact CB-CG 4.49Å; V383-L420 HydrophobicContact CG1-CD1 3.77Å; V383-L420 HydrophobicContact CG1-CG 4.01Å; V383-L420 HydrophobicContact CG2-CD1 4.16Å; V383-L420 HydrophobicContact CG2-CD2 3.69Å; V383-L420 HydrophobicContact CG2-CG 3.66Å; F388-L420 HydrophobicContact CD2-CD2 3.72Å; F388-L420 HydrophobicContact CE2-CD2 4.1Å; Y391-L420 HydrophobicContact CD1-CD1 4.39Å; Y391-L420 HydrophobicContact CD1-CD2 3.8Å; Y391-L420 HydrophobicContact CD2-CD1 4.05Å; Y391-L420 HydrophobicContact CE1-CD2 4.12Å; Y391-L420 HydrophobicContact CE2-CD1 4.41Å; Y391-L420 HydrophobicContact CG-CD1 4.04Å; Y391-L420 HydrophobicContact CG-CD2 4.21Å; L420-F423 PolarHBondContact O-N 2.81Å; L420-L424 WeakPolarHBondContact O-CG 3.45Å; L420-L424 PolarHBondContact O-N 2.83Å
421	R	96.2	Very high	92.5	Very high	28 Å²	28	24.3 Å²	24.3	11%	0.106	10%	0.102	C	C	.	.	H	α-helix	trans	-66.4	-40.9	175	-60.6	171.4	-69.6	178	-2.2	111.4	W367 L370 E380 Y381 D419 F423 L424 I425 I445 F446	W367-R421 HydrophobicContact CE3-CG 4.33Å; W367-R421 HydrophobicContact CH2-CG 4.22Å; W367-R421 HydrophobicContact CZ3-CG 3.65Å; L370-R421 HydrophobicContact CD2-CG 4.48Å; E380-R421 PolarHBondContact O-NH2 3.33Å; Y381-R421 HydrophobicContact CD2-CG 4Å; Y381-R421 HydrophobicContact CG-CG 4.08Å; D419-R421 PolarHBondContact O-N 3.12Å; D419-R421 VanDerWaalsContact O-N 3.14Å; D419-R421 WeakPolarHBondContact OD1-CB 3.29Å; D419-R421 WeakPolarHBondContact OD1-CG 3.28Å; D419-R421 IonicContact OD1-CZ 3.68Å; D419-R421 PolarHBondContact OD1-N 3.17Å; D419-R421 IonicContact OD1-NE 3.91Å; D419-R421 PolarHBondContact OD1-NE 2.97Å; D419-R421 IonicContact OD1-NH2 3.87Å; D419-R421 IonicContact OD2-CZ 2.69Å; D419-R421 IonicContact OD2-NE 2.66Å; D419-R421 PolarHBondContact OD2-NE 2.8Å; D419-R421 IonicContact OD2-NH2 2.6Å; D419-R421 PolarHBondContact OD2-NH2 3.4Å; R421-F423 VanDerWaalsContact C-N 3.34Å; R421-L424 PolarHBondContact O-N 3.03Å; R421-I425 WeakPolarHBondContact O-CG1 3.27Å; R421-I425 PolarHBondContact O-N 2.6Å; R421-I425 VanDerWaalsContact O-N 3.09Å; R421-I445 HydrophobicContact CB-CG2 3.92Å; R421-I445 HydrophobicContact CG-CG2 3.91Å; R421-F446 HydrophobicContact CB-CE1 4.05Å; R421-F446 HydrophobicContact CB-CE2 3.99Å; R421-F446 HydrophobicContact CB-CZ 3.49Å; R421-F446 VanDerWaalsContact CB-CZ 3.49Å; R421-F446 VanDerWaalsContact CZ-CE1 3.48Å
422	E	95.7	Very high	91.9	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-45.5	174.3	-170.7	178.9	178.9	0	0	110.5	F410 D419 L424 I425 V426 K461 R464	F410-E422 HydrophobicContact CD1-CB 4.17Å; F410-E422 HydrophobicContact CD1-CG 3.73Å; F410-E422 HydrophobicContact CE1-CG 4.16Å; D419-E422 HydrophobicContact CB-CB 4.28Å; D419-E422 WeakPolarHBondContact O-CB 3.43Å; D419-E422 PolarHBondContact O-N 3.04Å; E422-L424 PolarHBondContact O-N 3.38Å; E422-I425 PolarHBondContact O-N 2.84Å; E422-V426 WeakPolarHBondContact O-CG2 3.4Å; E422-V426 PolarHBondContact O-N 2.82Å; E422-V426 VanDerWaalsContact O-N 3.14Å; E422-K461 HydrophobicContact CB-CB 4Å; E422-K461 HydrophobicContact CB-CG 4.32Å; E422-K461 HydrophobicContact CG-CB 3.84Å; E422-K461 HydrophobicContact CG-CG 4.31Å; E422-K461 WeakPolarHBondContact CG-O 3.35Å; E422-R464 IonicContact OE1-CZ 2.71Å; E422-R464 IonicContact OE1-NE 3.97Å; E422-R464 IonicContact OE1-NH2 3.74Å; E422-R464 PolarHBondContact OE1-NH2 3.34Å
423	F	95.7	Very high	91.5	Very high	7 Å²	7	33.4 Å²	33.4	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-58.1	-47.3	176.4	177.1	-101.5	0	0	0	112.3	F343 L352 F388 Y391 L392 L406 F410 D419 L420 R421 I425 V426 C427	F343-F423 HydrophobicContact CE2-CD2 4.32Å; F343-F423 HydrophobicContact CE2-CE2 4.01Å; F343-F423 HydrophobicContact CZ-CE2 4.37Å; L352-F423 HydrophobicContact CD1-CZ 4.39Å; F388-F423 HydrophobicContact CE2-CD1 4.24Å; F388-F423 HydrophobicContact CE2-CD2 4.09Å; F388-F423 HydrophobicContact CE2-CE1 4.29Å; F388-F423 HydrophobicContact CE2-CE2 4.16Å; F388-F423 HydrophobicContact CE2-CG 4.13Å; F388-F423 HydrophobicContact CE2-CZ 4.26Å; F388-F423 AromaticContact CZ-CD2 3.98Å; F388-F423 HydrophobicContact CZ-CD2 3.98Å; F388-F423 AromaticContact CZ-CE2 3.84Å; F388-F423 HydrophobicContact CZ-CE2 3.84Å; F388-F423 HydrophobicContact CZ-CG 4.49Å; F388-F423 HydrophobicContact CZ-CZ 4.21Å; Y391-F423 HydrophobicContact CE1-CD1 4.1Å; Y391-F423 HydrophobicContact CE1-CE1 4.03Å; L392-F423 HydrophobicContact CD2-CE1 3.88Å; L392-F423 HydrophobicContact CD2-CZ 3.76Å; L406-F423 HydrophobicContact CD2-CE2 4.31Å; F410-F423 HydrophobicContact CD1-CB 4.46Å; F410-F423 HydrophobicContact CD2-CD2 4.31Å; F410-F423 HydrophobicContact CE1-CB 4.2Å; F410-F423 HydrophobicContact CE1-CD2 4.36Å; F410-F423 AromaticContact CE2-CD2 3.64Å; F410-F423 HydrophobicContact CE2-CD2 3.64Å; F410-F423 HydrophobicContact CE2-CE2 4.34Å; F410-F423 HydrophobicContact CZ-CB 4.34Å; F410-F423 AromaticContact CZ-CD2 3.67Å; F410-F423 HydrophobicContact CZ-CD2 3.67Å; F410-F423 HydrophobicContact CZ-CG 4.47Å; D419-F423 PolarHBondContact O-N 3.01Å; L420-F423 PolarHBondContact O-N 2.81Å; R421-F423 VanDerWaalsContact C-N 3.34Å; F423-I425 PolarHBondContact O-N 3.04Å; F423-V426 PolarHBondContact O-N 2.97Å; F423-C427 VanDerWaalsContact CE1-SG 3.5Å; F423-C427 WeakPolarHBondContact CZ-SG 3.26Å; F423-C427 PolarHBondContact O-N 2.73Å; F423-C427 PolarHBondContact O-SG 3.18Å; F423-C427 VanDerWaalsContact O-SG 3.34Å
424	L	95.1	Very high	91.4	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-43.8	178.7	-77	-172.7	0	0	0	113.2	L363 K366 L370 Y391 L420 R421 E422 V426 C427 C428	L363-L424 HydrophobicContact CD1-CB 4.09Å; K366-L424 HydrophobicContact CB-CD1 4.24Å; K366-L424 HydrophobicContact CB-CD2 3.82Å; K366-L424 HydrophobicContact CD-CD2 3.98Å; K366-L424 HydrophobicContact CG-CD2 4.43Å; L370-L424 HydrophobicContact CB-CD1 4.01Å; L370-L424 HydrophobicContact CD2-CD1 3.55Å; L370-L424 HydrophobicContact CD2-CG 4.34Å; L370-L424 HydrophobicContact CG-CD1 4.35Å; Y391-L424 VanDerWaalsContact OH-CD2 3.31Å; Y391-L424 WeakPolarHBondContact OH-CD2 3.29Å; L420-L424 WeakPolarHBondContact O-CG 3.45Å; L420-L424 PolarHBondContact O-N 2.83Å; R421-L424 PolarHBondContact O-N 3.03Å; E422-L424 PolarHBondContact O-N 3.38Å; L424-V426 VanDerWaalsContact C-N 3.31Å; L424-V426 PolarHBondContact O-N 2.71Å; L424-C427 PolarHBondContact O-N 2.93Å; L424-C428 PolarHBondContact O-N 3.1Å
425	I	95.2	Very high	91.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.7	-47.8	177.5	-71.6	171.6	0	0	0	109.8	L363 R421 E422 F423 C427 C428 A429 F438 C442 I445 F446 I462 P466	L363-I425 HydrophobicContact CD1-CG1 4.34Å; L363-I425 HydrophobicContact CD2-CG1 4.42Å; R421-I425 WeakPolarHBondContact O-CG1 3.27Å; R421-I425 PolarHBondContact O-N 2.6Å; R421-I425 VanDerWaalsContact O-N 3.09Å; E422-I425 PolarHBondContact O-N 2.84Å; F423-I425 PolarHBondContact O-N 3.04Å; I425-C427 VanDerWaalsContact C-N 3.34Å; I425-C427 PolarHBondContact O-N 2.69Å; I425-C428 CarbonylContact O-C 3.6Å; I425-C428 PolarHBondContact O-N 3.09Å; I425-A429 WeakPolarHBondContact O-CB 3.38Å; I425-A429 PolarHBondContact O-N 3.37Å; I425-F438 HydrophobicContact CG2-CE1 4.12Å; I425-F438 HydrophobicContact CG2-CZ 4.45Å; I425-C442 HydrophobicContact CD1-CB 3.86Å; I425-C442 HydrophobicContact CG1-CB 4.45Å; I425-I445 HydrophobicContact CG1-CD1 4.39Å; I425-F446 HydrophobicContact CD1-CD2 4.44Å; I425-F446 HydrophobicContact CD1-CE2 3.64Å; I425-I462 HydrophobicContact CD1-CG1 4.09Å; I425-P466 HydrophobicContact CG2-CG 3.75Å
426	V	93.8	Very high	91.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.2	-34.3	-178.7	179.4	0	0	0	0	112.1	L340 F343 F410 E422 F423 L424 C428 A429 L465 P466	L340-V426 HydrophobicContact CD2-CG1 3.91Å; F343-V426 HydrophobicContact CD1-CG1 3.79Å; F343-V426 HydrophobicContact CD2-CG1 3.97Å; F343-V426 HydrophobicContact CE1-CG1 3.75Å; F343-V426 HydrophobicContact CE2-CG1 3.93Å; F343-V426 HydrophobicContact CG-CG1 3.9Å; F343-V426 HydrophobicContact CZ-CB 4.4Å; F343-V426 HydrophobicContact CZ-CG1 3.81Å; F410-V426 HydrophobicContact CE1-CB 4.02Å; F410-V426 HydrophobicContact CE1-CG1 4.48Å; F410-V426 HydrophobicContact CE1-CG2 3.84Å; F410-V426 HydrophobicContact CZ-CB 4.13Å; F410-V426 HydrophobicContact CZ-CG1 4.24Å; F410-V426 HydrophobicContact CZ-CG2 4.39Å; E422-V426 WeakPolarHBondContact O-CG2 3.4Å; E422-V426 PolarHBondContact O-N 2.82Å; E422-V426 VanDerWaalsContact O-N 3.14Å; F423-V426 PolarHBondContact O-N 2.97Å; L424-V426 VanDerWaalsContact C-N 3.31Å; L424-V426 PolarHBondContact O-N 2.71Å; V426-C428 PolarHBondContact O-N 3.03Å; V426-A429 PolarHBondContact O-N 2.78Å; V426-L465 HydrophobicContact CG1-CB 4.38Å; V426-L465 HydrophobicContact CG1-CD1 4.5Å; V426-L465 HydrophobicContact CG2-CB 3.55Å; V426-L465 HydrophobicContact CG2-CD1 3.87Å; V426-L465 HydrophobicContact CG2-CG 4.36Å; V426-P466 HydrophobicContact CG2-CG 4.1Å
427	C	93.9	Very high	91.7	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.02	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-26.4	174.3	-75.2	0	0	0	0	114.3	T355 F423 L424 I425	T355-C427 PolarHBondContact N-O 2.8Å; T355-C427 PolarHBondContact OG1-O 2.72Å; F423-C427 VanDerWaalsContact CE1-SG 3.5Å; F423-C427 WeakPolarHBondContact CZ-SG 3.26Å; F423-C427 PolarHBondContact O-N 2.73Å; F423-C427 PolarHBondContact O-SG 3.18Å; F423-C427 VanDerWaalsContact O-SG 3.34Å; L424-C427 PolarHBondContact O-N 2.93Å; I425-C427 VanDerWaalsContact C-N 3.34Å; I425-C427 PolarHBondContact O-N 2.69Å
428	C	93.4	Very high	91.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-114.7	1.9	-174.6	-66.3	0	0	0	0	113	E358 E359 L363 L424 I425 V426 F438	E358-C428 WeakPolarHBondContact CA-O 3.29Å; E359-C428 PolarHBondContact N-O 2.92Å; L363-C428 HydrophobicContact CB-CB 3.9Å; L424-C428 PolarHBondContact O-N 3.1Å; I425-C428 CarbonylContact O-C 3.6Å; I425-C428 PolarHBondContact O-N 3.09Å; V426-C428 PolarHBondContact O-N 3.03Å; C428-F438 HydrophobicContact CB-CE2 4.14Å; C428-F438 HydrophobicContact CB-CZ 4.27Å; C428-F438 WeakPolarHBondContact O-CE2 3.3Å
429	A	90.2	Very high	91.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.			trans	-80.1	138.6	177.3	0	0	0	0	0	110.2	I425 V426 F438 P466	I425-A429 WeakPolarHBondContact O-CB 3.38Å; I425-A429 PolarHBondContact O-N 3.37Å; V426-A429 PolarHBondContact O-N 2.78Å; A429-F438 HydrophobicContact CB-CE1 4.35Å; A429-F438 HydrophobicContact CB-CZ 4.33Å; A429-P466 HydrophobicContact CB-CB 3.86Å; A429-P466 HydrophobicContact CB-CG 4.08Å
430	G	83.7	Confident	91.6	Very high	6 Å²	6	38.9 Å²	38.9	6%	0.062	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-76.8	162.8	172.6	0	0	0	0	0	112.7	S356 D432	S356-G430 WeakPolarHBondContact O-CA 3.36Å; G430-D432 VanDerWaalsContact C-N 3.31Å; G430-D432 PolarHBondContact O-N 3.2Å
431	N	82.3	Confident	91.5	Very high	47 Å²	47	41.2 Å²	41.2	25%	0.251	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-24	175.7	-75.2	-36	0	0	0	113.9	L340 S356 G433	L340-N431 WeakPolarHBondContact CB-OD1 3.38Å; S356-N431 PolarHBondContact O-N 2.77Å; N431-G433 PolarHBondContact O-N 3.11Å
432	D	80.6	Confident	91.5	Very high	172 Å²	172	39.9 Å²	39.9	92%	0.92	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	19.3	-169.9	-59.7	-43.5	0	0	0	113.9	G430	G430-D432 VanDerWaalsContact C-N 3.31Å; G430-D432 PolarHBondContact O-N 3.2Å
433	G	79	Confident	91.5	Very high	27 Å²	27	41.1 Å²	41.1	28%	0.278	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	101.9	-165.8	-177.5	0	0	0	0	0	112.8	N431	N431-G433 PolarHBondContact O-N 3.11Å
434	M	88.7	Confident	91.4	Very high	33 Å²	33	44 Å²	44	16%	0.163	23%	0.234	C	C	.	.			trans	-117.9	129.6	-178.9	-68.5	-169.5	-59.4	0	0	110.9	E358 F438 Y439 I462 V463 P466 K467	E358-M434 WeakPolarHBondContact OE2-CA 3.37Å; M434-F438 HydrophobicContact CB-CD1 4.3Å; M434-F438 HydrophobicContact CG-CD1 3.99Å; M434-F438 HydrophobicContact CG-CE1 4.27Å; M434-F438 HydrophobicContact SD-CD1 3.9Å; M434-F438 HydrophobicContact SD-CE1 3.97Å; M434-Y439 HydrophobicContact CE-CD2 3.61Å; M434-Y439 HydrophobicContact CE-CE2 4.34Å; M434-Y439 HydrophobicContact CE-CG 4.45Å; M434-I462 HydrophobicContact CE-CG2 4.35Å; M434-V463 HydrophobicContact CE-CG1 4.23Å; M434-P466 HydrophobicContact CE-CB 4.34Å; M434-P466 HydrophobicContact CG-CB 3.82Å; M434-P466 HydrophobicContact SD-CB 3.54Å; M434-P466 VanDerWaalsContact SD-CB 3.54Å; M434-P466 HydrophobicContact SD-CG 4.16Å; M434-K467 HydrophobicContact CE-CD 4.1Å; M434-K467 HydrophobicContact CE-CG 3.74Å
435	S	92.5	Very high	91.4	Very high	45 Å²	45	44.2 Å²	44.2	32%	0.315	24%	0.236	S	C	.	.			trans	-63.8	157.5	169.1	77.5	0	0	0	0	111	E358 E437 F438 Y439	E358-S435 WeakPolarHBondContact OE1-CB 3.31Å; E358-S435 PolarHBondContact OE1-OG 3.18Å; E358-S435 PolarHBondContact OE2-N 3.03Å; S435-E437 VanDerWaalsContact C-N 3.27Å; S435-E437 PolarHBondContact O-N 3.21Å; S435-F438 PolarHBondContact O-N 3.15Å; S435-F438 VanDerWaalsContact OG-CB 3.29Å; S435-F438 WeakPolarHBondContact OG-CB 3.16Å; S435-F438 PolarHBondContact OG-N 3.43Å; S435-F438 VanDerWaalsContact OG-N 3.12Å; S435-Y439 VanDerWaalsContact O-CB 3.29Å; S435-Y439 WeakPolarHBondContact O-CB 3.27Å; S435-Y439 PolarHBondContact O-N 3.35Å
436	K	92.2	Very high	91.4	Very high	179 Å²	179	44.5 Å²	44.5	78%	0.778	24%	0.237	S	C	*	.	H	α-helix	trans	-60.4	-38.4	177.8	-173.6	178.4	179.1	-178	0	111.8	T440	K436-T440 WeakPolarHBondContact O-CB 3.47Å; K436-T440 PolarHBondContact O-N 3.38Å; K436-T440 PolarHBondContact O-OG1 3.26Å
437	E	94.4	Very high	91.3	Very high	146 Å²	146	46.6 Å²	46.6	68%	0.682	25%	0.252	S	S	*	.	H	α-helix	trans	-67.6	-47.2	179.3	-64.6	-175.5	-179	0	0	111.5	L360 S435 T440 Y441	L360-E437 HydrophobicContact CD2-CB 4.16Å; S435-E437 VanDerWaalsContact C-N 3.27Å; S435-E437 PolarHBondContact O-N 3.21Å; E437-T440 PolarHBondContact O-N 3.28Å; E437-Y441 PolarHBondContact O-N 3.14Å
438	F	95.1	Very high	90.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-45.3	177	-173.5	-87.7	0	0	0	111.7	E358 L360 L363 I425 C428 A429 M434 S435 T440 Y441 C442	E358-F438 HydrophobicContact CG-CB 4.06Å; E358-F438 HydrophobicContact CG-CD1 4.4Å; E358-F438 HydrophobicContact CG-CD2 3.4Å; E358-F438 VanDerWaalsContact CG-CD2 3.4Å; E358-F438 HydrophobicContact CG-CE2 3.85Å; E358-F438 HydrophobicContact CG-CG 3.72Å; E358-F438 VanDerWaalsContact OE1-CB 3.25Å; E358-F438 WeakPolarHBondContact OE1-CB 3.33Å; E358-F438 WeakPolarHBondContact OE2-CB 3.33Å; L360-F438 HydrophobicContact CB-CD2 4.18Å; L360-F438 HydrophobicContact CD1-CD2 4.14Å; L363-F438 HydrophobicContact CB-CE2 4.27Å; L363-F438 HydrophobicContact CD2-CD2 4.2Å; L363-F438 HydrophobicContact CD2-CE1 4.37Å; L363-F438 HydrophobicContact CD2-CE2 3.55Å; L363-F438 HydrophobicContact CD2-CZ 3.65Å; I425-F438 HydrophobicContact CG2-CE1 4.12Å; I425-F438 HydrophobicContact CG2-CZ 4.45Å; C428-F438 HydrophobicContact CB-CE2 4.14Å; C428-F438 HydrophobicContact CB-CZ 4.27Å; C428-F438 WeakPolarHBondContact O-CE2 3.3Å; A429-F438 HydrophobicContact CB-CE1 4.35Å; A429-F438 HydrophobicContact CB-CZ 4.33Å; M434-F438 HydrophobicContact CB-CD1 4.3Å; M434-F438 HydrophobicContact CG-CD1 3.99Å; M434-F438 HydrophobicContact CG-CE1 4.27Å; M434-F438 HydrophobicContact SD-CD1 3.9Å; M434-F438 HydrophobicContact SD-CE1 3.97Å; S435-F438 PolarHBondContact O-N 3.15Å; S435-F438 VanDerWaalsContact OG-CB 3.29Å; S435-F438 WeakPolarHBondContact OG-CB 3.16Å; S435-F438 PolarHBondContact OG-N 3.43Å; S435-F438 VanDerWaalsContact OG-N 3.12Å; F438-T440 PolarHBondContact O-N 3.32Å; F438-Y441 PolarHBondContact O-N 3.04Å; F438-C442 WeakPolarHBondContact CE1-SG 3.48Å; F438-C442 PolarHBondContact O-N 3.03Å; F438-C442 PolarHBondContact O-SG 3.43Å
439	Y	94.5	Very high	90.4	Very high	42 Å²	42	59 Å²	59	17%	0.165	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-45	175.6	176.2	-113.2	0	0	0	112.5	M434 S435 Y441 C442 L443 F459 I462 V463	M434-Y439 HydrophobicContact CE-CD2 3.61Å; M434-Y439 HydrophobicContact CE-CE2 4.34Å; M434-Y439 HydrophobicContact CE-CG 4.45Å; S435-Y439 VanDerWaalsContact O-CB 3.29Å; S435-Y439 WeakPolarHBondContact O-CB 3.27Å; S435-Y439 PolarHBondContact O-N 3.35Å; Y439-Y441 VanDerWaalsContact C-N 3.31Å; Y439-Y441 PolarHBondContact O-N 3.01Å; Y439-C442 WeakPolarHBondContact O-CB 3.19Å; Y439-C442 PolarHBondContact O-N 3.45Å; Y439-C442 VanDerWaalsContact O-N 3.17Å; Y439-L443 HydrophobicContact CD1-CD1 4.22Å; Y439-L443 HydrophobicContact CE1-CD1 3.71Å; Y439-L443 HydrophobicContact CE1-CG 4.35Å; Y439-L443 HydrophobicContact CE2-CD2 4.38Å; Y439-L443 HydrophobicContact CE2-CG 4.37Å; Y439-L443 WeakPolarHBondContact O-CG 3.38Å; Y439-L443 PolarHBondContact O-N 3.27Å; Y439-F459 WeakPolarHBondContact OH-CE2 3.25Å; Y439-I462 HydrophobicContact CD2-CG2 4.03Å; Y439-I462 HydrophobicContact CE2-CG2 4.03Å; Y439-V463 HydrophobicContact CE2-CG1 3.89Å
440	T	93.9	Very high	89.8	Confident	77 Å²	77	67.7 Å²	67.7	47%	0.472	34%	0.344	S	S	.	.	H	α-helix	trans	-62.2	-39.9	177.9	-56.8	0	0	0	0	111.3	K436 E437 F438 L443 S444	K436-T440 WeakPolarHBondContact O-CB 3.47Å; K436-T440 PolarHBondContact O-N 3.38Å; K436-T440 PolarHBondContact O-OG1 3.26Å; E437-T440 PolarHBondContact O-N 3.28Å; F438-T440 PolarHBondContact O-N 3.32Å; T440-L443 WeakPolarHBondContact O-CB 3.49Å; T440-L443 PolarHBondContact O-N 2.97Å; T440-S444 PolarHBondContact O-N 3.46Å
441	Y	96.1	Very high	89.8	Confident	49 Å²	49	74.3 Å²	74.3	19%	0.192	37%	0.371	C	S	.	.	H	α-helix	trans	-68.5	-36.6	175	-169.8	-104	0	0	0	112.5	L360 L363 K364 E437 F438 Y439 L443 S444 I445	L360-Y441 HydrophobicContact CD1-CD1 3.7Å; L360-Y441 HydrophobicContact CD1-CG 3.76Å; L363-Y441 HydrophobicContact CD2-CD1 3.9Å; L363-Y441 HydrophobicContact CD2-CE1 4.31Å; L363-Y441 HydrophobicContact CG-CD1 4.17Å; L363-Y441 HydrophobicContact CG-CE1 4.07Å; K364-Y441 WeakPolarHBondContact CA-OH 3.46Å; K364-Y441 HydrophobicContact CB-CE1 4.42Å; K364-Y441 HydrophobicContact CG-CD1 4.28Å; K364-Y441 HydrophobicContact CG-CD2 4.41Å; K364-Y441 HydrophobicContact CG-CE1 3.64Å; K364-Y441 HydrophobicContact CG-CE2 3.8Å; K364-Y441 WeakPolarHBondContact CG-OH 3.17Å; E437-Y441 PolarHBondContact O-N 3.14Å; F438-Y441 PolarHBondContact O-N 3.04Å; Y439-Y441 VanDerWaalsContact C-N 3.31Å; Y439-Y441 PolarHBondContact O-N 3.01Å; Y441-L443 VanDerWaalsContact C-N 3.31Å; Y441-L443 PolarHBondContact O-N 3.16Å; Y441-S444 PolarHBondContact O-N 3.47Å; Y441-S444 VanDerWaalsContact O-N 3.15Å; Y441-S444 PolarHBondContact O-OG 2.95Å; Y441-I445 HydrophobicContact CD1-CD1 4.11Å; Y441-I445 HydrophobicContact CD1-CG1 4.47Å; Y441-I445 HydrophobicContact CE1-CD1 3.92Å; Y441-I445 HydrophobicContact CE1-CG1 4.19Å; Y441-I445 WeakPolarHBondContact O-CG1 3.49Å; Y441-I445 PolarHBondContact O-N 3.14Å
442	C	96.2	Very high	90	Very high	0 Å²	0	77.9 Å²	77.9	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-61.4	-40.2	173	-67	0	0	0	0	111.9	I425 F438 Y439 S444 I445 I462	I425-C442 HydrophobicContact CD1-CB 3.86Å; I425-C442 HydrophobicContact CG1-CB 4.45Å; F438-C442 WeakPolarHBondContact CE1-SG 3.48Å; F438-C442 PolarHBondContact O-N 3.03Å; F438-C442 PolarHBondContact O-SG 3.43Å; Y439-C442 WeakPolarHBondContact O-CB 3.19Å; Y439-C442 PolarHBondContact O-N 3.45Å; Y439-C442 VanDerWaalsContact O-N 3.17Å; C442-S444 VanDerWaalsContact C-N 3.3Å; C442-S444 PolarHBondContact O-N 3.38Å; C442-I445 WeakPolarHBondContact O-CB 3.32Å; C442-I445 PolarHBondContact O-N 2.88Å; C442-I462 HydrophobicContact CB-CB 4.5Å; C442-I462 HydrophobicContact CB-CD1 4.47Å; C442-I462 HydrophobicContact CB-CG1 4.24Å; C442-I462 HydrophobicContact CB-CG2 3.56Å; C442-I462 WeakPolarHBondContact O-CD1 3.47Å
443	L	94.6	Very high	90.5	Very high	28 Å²	28	72.1 Å²	72.1	15%	0.147	36%	0.358	C	S	.	.	H	α-helix	trans	-60	-40.5	173.6	-67.7	172.2	0	0	0	111.5	Y439 T440 Y441 I445 F446 S447 I454 I462 Y481	Y439-L443 HydrophobicContact CD1-CD1 4.22Å; Y439-L443 HydrophobicContact CE1-CD1 3.71Å; Y439-L443 HydrophobicContact CE1-CG 4.35Å; Y439-L443 HydrophobicContact CE2-CD2 4.38Å; Y439-L443 HydrophobicContact CE2-CG 4.37Å; Y439-L443 WeakPolarHBondContact O-CG 3.38Å; Y439-L443 PolarHBondContact O-N 3.27Å; T440-L443 WeakPolarHBondContact O-CB 3.49Å; T440-L443 PolarHBondContact O-N 2.97Å; Y441-L443 VanDerWaalsContact C-N 3.31Å; Y441-L443 PolarHBondContact O-N 3.16Å; L443-I445 VanDerWaalsContact C-N 3.3Å; L443-I445 PolarHBondContact O-N 3.37Å; L443-F446 PolarHBondContact O-N 3.09Å; L443-S447 WeakPolarHBondContact O-CB 3.42Å; L443-S447 PolarHBondContact O-N 3.48Å; L443-I454 HydrophobicContact CD2-CD1 3.5Å; L443-I454 VanDerWaalsContact CD2-CD1 3.5Å; L443-I454 HydrophobicContact CD2-CG1 4.27Å; L443-I462 HydrophobicContact CD2-CD1 3.91Å; L443-Y481 HydrophobicContact CD1-CE2 4.19Å; L443-Y481 HydrophobicContact CD2-CE2 4.11Å
444	S	93.8	Very high	91.2	Very high	66 Å²	66	71.3 Å²	71.3	46%	0.462	35%	0.347	S	S	.	.	H	α-helix	trans	-68.9	-24.7	179.9	79.1	0	0	0	0	113.8	T440 Y441 C442 F446	T440-S444 PolarHBondContact O-N 3.46Å; Y441-S444 PolarHBondContact O-N 3.47Å; Y441-S444 VanDerWaalsContact O-N 3.15Å; Y441-S444 PolarHBondContact O-OG 2.95Å; C442-S444 VanDerWaalsContact C-N 3.3Å; C442-S444 PolarHBondContact O-N 3.38Å; S444-F446 VanDerWaalsContact C-N 3.29Å; S444-F446 PolarHBondContact O-N 3.38Å
445	I	95.5	Very high	91.5	Very high	9 Å²	9	72.2 Å²	72.2	5%	0.046	36%	0.357	C	S	.	.	H	α-helix	trans	-65.2	-32.2	173.2	-68.3	171.2	0	0	0	111.8	L363 W367 R421 I425 Y441 C442 L443	L363-I445 HydrophobicContact CD1-CD1 4.18Å; L363-I445 HydrophobicContact CD2-CD1 4.2Å; L363-I445 HydrophobicContact CG-CD1 4.22Å; W367-I445 HydrophobicContact CD2-CG1 4.24Å; W367-I445 HydrophobicContact CD2-CG2 4.18Å; W367-I445 HydrophobicContact CE3-CG2 4.21Å; W367-I445 HydrophobicContact CG-CD1 4.33Å; W367-I445 HydrophobicContact CG-CG1 4.11Å; W367-I445 HydrophobicContact CH2-CG2 4.25Å; W367-I445 HydrophobicContact CZ2-CG2 4.18Å; W367-I445 HydrophobicContact CZ3-CG2 4.27Å; R421-I445 HydrophobicContact CB-CG2 3.92Å; R421-I445 HydrophobicContact CG-CG2 3.91Å; I425-I445 HydrophobicContact CG1-CD1 4.39Å; Y441-I445 HydrophobicContact CD1-CD1 4.11Å; Y441-I445 HydrophobicContact CD1-CG1 4.47Å; Y441-I445 HydrophobicContact CE1-CD1 3.92Å; Y441-I445 HydrophobicContact CE1-CG1 4.19Å; Y441-I445 WeakPolarHBondContact O-CG1 3.49Å; Y441-I445 PolarHBondContact O-N 3.14Å; C442-I445 WeakPolarHBondContact O-CB 3.32Å; C442-I445 PolarHBondContact O-N 2.88Å; L443-I445 VanDerWaalsContact C-N 3.3Å; L443-I445 PolarHBondContact O-N 3.37Å
446	F	94.8	Very high	91.5	Very high	5 Å²	5	72.8 Å²	72.8	2%	0.022	36%	0.355	C	S	.	.	H	α-helix	trans	-102.4	-15.7	-178.4	-71.9	-88.8	0	0	0	114	R421 I425 L443 S444 R448 I454 D458 K461 I462	R421-F446 HydrophobicContact CB-CE1 4.05Å; R421-F446 HydrophobicContact CB-CE2 3.99Å; R421-F446 HydrophobicContact CB-CZ 3.49Å; R421-F446 VanDerWaalsContact CB-CZ 3.49Å; R421-F446 VanDerWaalsContact CZ-CE1 3.48Å; I425-F446 HydrophobicContact CD1-CD2 4.44Å; I425-F446 HydrophobicContact CD1-CE2 3.64Å; L443-F446 PolarHBondContact O-N 3.09Å; S444-F446 VanDerWaalsContact C-N 3.29Å; S444-F446 PolarHBondContact O-N 3.38Å; F446-R448 PolarHBondContact O-N 2.92Å; F446-I454 HydrophobicContact CB-CG2 4.13Å; F446-D458 HydrophobicContact CB-CB 4.03Å; F446-D458 HydrophobicContact CD1-CB 3.59Å; F446-D458 WeakPolarHBondContact CD1-OD1 3.44Å; F446-D458 HydrophobicContact CE1-CB 4.3Å; F446-D458 HydrophobicContact CG-CB 3.98Å; F446-K461 HydrophobicContact CE1-CB 4.42Å; F446-K461 HydrophobicContact CE1-CD 3.61Å; F446-K461 HydrophobicContact CZ-CB 4.02Å; F446-K461 HydrophobicContact CZ-CD 3.94Å; F446-I462 HydrophobicContact CB-CD1 4.41Å; F446-I462 HydrophobicContact CD2-CD1 3.66Å; F446-I462 HydrophobicContact CD2-CG1 3.61Å; F446-I462 HydrophobicContact CE2-CD1 4.28Å; F446-I462 HydrophobicContact CE2-CG1 3.7Å; F446-I462 HydrophobicContact CG-CD1 4.29Å
447	S	91.4	Very high	91.5	Very high	45 Å²	45	66.4 Å²	66.4	32%	0.315	33%	0.331	S	S	.	.			trans	-65.1	126.7	176.8	-177.4	0	0	0	0	111.1	L443 N449	L443-S447 WeakPolarHBondContact O-CB 3.42Å; L443-S447 PolarHBondContact O-N 3.48Å; S447-N449 PolarHBondContact OG-N 3.18Å; S447-N449 PolarHBondContact OG-O 3.36Å
448	R	86.1	Confident	91.6	Very high	196 Å²	196	60.3 Å²	60.3	74%	0.74	30%	0.303	S	S	*	.	S	Bend	trans	-89.4	-30.1	171.9	-64.1	178.2	177.7	-161.7	-9.8	111.4	E380 F446	E380-R448 IonicContact OE1-CZ 3.28Å; E380-R448 IonicContact OE1-NH2 3.97Å; E380-R448 PolarHBondContact OE1-NH2 2.94Å; E380-R448 IonicContact OE2-NH2 3.89Å; E380-R448 PolarHBondContact OE2-NH2 3.26Å; F446-R448 PolarHBondContact O-N 2.92Å
449	N	82.3	Confident	91.6	Very high	66 Å²	66	60.3 Å²	60.3	35%	0.353	30%	0.303	S	S	.	.			trans	-149.8	132.9	-177.7	-178.6	-1.5	0	0	0	108	S447 K451 E452	S447-N449 PolarHBondContact OG-N 3.18Å; S447-N449 PolarHBondContact OG-O 3.36Å; N449-K451 PolarHBondContact O-N 3.44Å; N449-K451 VanDerWaalsContact O-N 3.09Å; N449-K451 PolarHBondContact OD1-N 3.31Å; N449-K451 VanDerWaalsContact OD1-N 3.1Å; N449-E452 HydrophobicContact CB-CB 4.48Å; N449-E452 PolarHBondContact O-N 2.96Å
450	E	79.3	Confident	91.6	Very high	184 Å²	184	58.3 Å²	58.3	86%	0.86	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.1	177.9	-63.8	-177	171.4	0	0	113.1
451	K	82.3	Confident	91.6	Very high	145 Å²	145	55.6 Å²	55.6	63%	0.63	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-10.2	-178.7	-60.1	-178	-179.6	177.9	0	114.6	N449	N449-K451 PolarHBondContact O-N 3.44Å; N449-K451 VanDerWaalsContact O-N 3.09Å; N449-K451 PolarHBondContact OD1-N 3.31Å; N449-K451 VanDerWaalsContact OD1-N 3.1Å
452	E	87.7	Confident	91.5	Very high	121 Å²	121	53.3 Å²	53.3	57%	0.565	27%	0.267	S	S	*	.	S	Bend	trans	-119	136.8	-176.2	-70.2	177.6	-168.5	0	0	110.7	N449	N449-E452 HydrophobicContact CB-CB 4.48Å; N449-E452 PolarHBondContact O-N 2.96Å
453	P	90.8	Very high	91.3	Very high	52 Å²	52	53.3 Å²	53.3	34%	0.338	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-64.4	147.2	172.4	28.5	-33.7	0	0	0	110	Y481 F485	P453-Y481 HydrophobicContact CB-CE1 4.01Å; P453-F485 HydrophobicContact CB-CD1 4.24Å; P453-F485 HydrophobicContact CB-CD2 4.05Å; P453-F485 HydrophobicContact CB-CE1 4.44Å; P453-F485 HydrophobicContact CB-CE2 4.27Å; P453-F485 HydrophobicContact CB-CG 4.04Å; P453-F485 HydrophobicContact CB-CZ 4.46Å; P453-F485 HydrophobicContact CG-CD1 4.5Å
454	I	93.5	Very high	91.1	Very high	9 Å²	9	52 Å²	52	5%	0.046	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-64.9	157.9	172.6	61.9	170.3	0	0	0	110.8	L443 F446 D458 F459 I462 Y478 Y481	L443-I454 HydrophobicContact CD2-CD1 3.5Å; L443-I454 VanDerWaalsContact CD2-CD1 3.5Å; L443-I454 HydrophobicContact CD2-CG1 4.27Å; F446-I454 HydrophobicContact CB-CG2 4.13Å; I454-D458 HydrophobicContact CB-CB 4.49Å; I454-F459 HydrophobicContact CD1-CB 3.92Å; I454-F459 HydrophobicContact CD1-CD2 4.19Å; I454-F459 HydrophobicContact CG1-CB 4.28Å; I454-I462 HydrophobicContact CD1-CD1 3.51Å; I454-Y478 WeakPolarHBondContact O-CE2 3.25Å; I454-Y478 PolarHBondContact O-OH 2.88Å; I454-Y481 HydrophobicContact CG1-CE1 3.94Å
455	S	93.7	Very high	90.9	Very high	52 Å²	52	49 Å²	49	36%	0.364	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-64.9	154.4	177.9	79.2	0	0	0	0	112.2	V457 D458 F459	S455-V457 PolarHBondContact O-N 3.47Å; S455-D458 PolarHBondContact O-N 3.27Å; S455-D458 VanDerWaalsContact O-N 3.13Å; S455-D458 WeakPolarHBondContact OG-CB 3.37Å; S455-D458 PolarHBondContact OG-N 3.49Å; S455-D458 VanDerWaalsContact OG-N 3.13Å; S455-D458 PolarHBondContact OG-OD2 3.34Å; S455-F459 PolarHBondContact O-N 3.25Å
456	E	93.6	Very high	90.6	Very high	58 Å²	58	48.6 Å²	48.6	27%	0.271	24%	0.237	S	C	.	.	H	α-helix	trans	-51.9	-43	173.7	-175.2	-172.6	105.6	0	0	111.3	F459 V460 R475 Y478	E456-F459 WeakPolarHBondContact O-CB 3.42Å; E456-F459 PolarHBondContact O-N 3.07Å; E456-V460 VanDerWaalsContact O-CG2 3.23Å; E456-V460 WeakPolarHBondContact O-CG2 3.46Å; E456-V460 PolarHBondContact O-N 3.11Å; E456-R475 HydrophobicContact CG-CG 3.99Å; E456-R475 WeakPolarHBondContact OE1-CD 3.49Å; E456-R475 VanDerWaalsContact OE1-CG 3.23Å; E456-R475 WeakPolarHBondContact OE1-CG 3.49Å; E456-R475 IonicContact OE1-CZ 3.7Å; E456-R475 IonicContact OE1-NE 3.38Å; E456-R475 PolarHBondContact OE1-NE 3.04Å; E456-Y478 HydrophobicContact CB-CD1 3.59Å; E456-Y478 HydrophobicContact CB-CE1 3.41Å; E456-Y478 VanDerWaalsContact CB-CE1 3.41Å; E456-Y478 HydrophobicContact CB-CE2 4.45Å; E456-Y478 HydrophobicContact CB-CG 4.18Å; E456-Y478 HydrophobicContact CG-CD1 3.53Å; E456-Y478 HydrophobicContact CG-CE1 3.92Å; E456-Y478 HydrophobicContact CG-CG 4.01Å; E456-Y478 VanDerWaalsContact N-CZ 3.33Å; E456-Y478 PolarHBondContact N-OH 3.28Å
457	V	92.9	Very high	90.3	Very high	45 Å²	45	51.7 Å²	51.7	27%	0.273	25%	0.251	S	S	.	.	H	α-helix	trans	-64.7	-43.7	-178	174.7	0	0	0	0	110.9	W412 S455 V460 K461	W412-V457 HydrophobicContact CH2-CG1 4.47Å; W412-V457 HydrophobicContact CZ2-CG1 4.36Å; S455-V457 PolarHBondContact O-N 3.47Å; V457-V460 PolarHBondContact O-N 3.37Å; V457-K461 WeakPolarHBondContact O-CG 3.37Å; V457-K461 PolarHBondContact O-N 2.85Å
458	D	95.2	Very high	90.1	Very high	18 Å²	18	52.1 Å²	52.1	10%	0.096	25%	0.248	C	C	.	.	H	α-helix	trans	-69.9	-36.2	178.1	-64.7	-41.1	0	0	0	111.8	F446 I454 S455 V460 K461 I462	F446-D458 HydrophobicContact CB-CB 4.03Å; F446-D458 HydrophobicContact CD1-CB 3.59Å; F446-D458 WeakPolarHBondContact CD1-OD1 3.44Å; F446-D458 HydrophobicContact CE1-CB 4.3Å; F446-D458 HydrophobicContact CG-CB 3.98Å; I454-D458 HydrophobicContact CB-CB 4.49Å; S455-D458 PolarHBondContact O-N 3.27Å; S455-D458 VanDerWaalsContact O-N 3.13Å; S455-D458 WeakPolarHBondContact OG-CB 3.37Å; S455-D458 PolarHBondContact OG-N 3.49Å; S455-D458 VanDerWaalsContact OG-N 3.13Å; S455-D458 PolarHBondContact OG-OD2 3.34Å; D458-V460 VanDerWaalsContact C-N 3.35Å; D458-V460 PolarHBondContact O-N 3.35Å; D458-K461 WeakPolarHBondContact O-CB 3.43Å; D458-K461 PolarHBondContact O-N 2.92Å; D458-K461 IonicContact OD1-NZ 2.81Å; D458-K461 PolarHBondContact OD1-NZ 3.07Å; D458-I462 WeakPolarHBondContact O-CG1 3.34Å; D458-I462 PolarHBondContact O-N 3Å
459	F	95.8	Very high	90.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-47.2	171.8	-175	-86.3	0	0	0	111.3	Y439 I454 S455 E456 K461 I462 V463 A474 E477 Y478 Y481	Y439-F459 WeakPolarHBondContact OH-CE2 3.25Å; I454-F459 HydrophobicContact CD1-CB 3.92Å; I454-F459 HydrophobicContact CD1-CD2 4.19Å; I454-F459 HydrophobicContact CG1-CB 4.28Å; S455-F459 PolarHBondContact O-N 3.25Å; E456-F459 WeakPolarHBondContact O-CB 3.42Å; E456-F459 PolarHBondContact O-N 3.07Å; F459-K461 VanDerWaalsContact C-N 3.29Å; F459-K461 PolarHBondContact O-N 2.84Å; F459-I462 WeakPolarHBondContact O-CB 3.4Å; F459-I462 PolarHBondContact O-N 3.08Å; F459-V463 HydrophobicContact CD1-CG1 4.46Å; F459-V463 HydrophobicContact CD1-CG2 3.85Å; F459-V463 HydrophobicContact CE1-CB 4.45Å; F459-V463 HydrophobicContact CE1-CG1 3.96Å; F459-V463 HydrophobicContact CE1-CG2 3.64Å; F459-V463 HydrophobicContact CZ-CG1 4.04Å; F459-V463 WeakPolarHBondContact O-CG2 3.38Å; F459-V463 PolarHBondContact O-N 3.12Å; F459-V463 VanDerWaalsContact O-N 3.15Å; F459-A474 WeakPolarHBondContact CE1-O 3.41Å; F459-E477 HydrophobicContact CE1-CB 4.12Å; F459-E477 HydrophobicContact CE1-CG 4.28Å; F459-E477 HydrophobicContact CZ-CB 4.38Å; F459-E477 HydrophobicContact CZ-CG 4.07Å; F459-Y478 HydrophobicContact CB-CD2 3.49Å; F459-Y478 VanDerWaalsContact CB-CD2 3.49Å; F459-Y478 HydrophobicContact CB-CE2 4.03Å; F459-Y478 HydrophobicContact CB-CG 4.32Å; F459-Y478 HydrophobicContact CD1-CD2 4.02Å; F459-Y478 HydrophobicContact CD1-CG 4.3Å; F459-Y478 AromaticContact CD2-CD2 3.82Å; F459-Y478 HydrophobicContact CD2-CD2 3.82Å; F459-Y478 AromaticContact CG-CD2 3.52Å; F459-Y478 HydrophobicContact CG-CD2 3.52Å; F459-Y478 HydrophobicContact CG-CE2 4.41Å; F459-Y478 HydrophobicContact CG-CG 4.25Å; F459-Y481 AromaticContact CD2-CD1 3.77Å; F459-Y481 HydrophobicContact CD2-CD1 3.77Å; F459-Y481 HydrophobicContact CD2-CD2 4.31Å; F459-Y481 HydrophobicContact CD2-CE1 4.2Å; F459-Y481 AromaticContact CD2-CG 3.83Å; F459-Y481 HydrophobicContact CD2-CG 3.83Å; F459-Y481 VanDerWaalsContact CE2-CB 3.48Å; F459-Y481 AromaticContact CE2-CD1 3.9Å; F459-Y481 HydrophobicContact CE2-CD1 3.9Å; F459-Y481 AromaticContact CE2-CD2 3.83Å; F459-Y481 HydrophobicContact CE2-CD2 3.83Å; F459-Y481 AromaticContact CE2-CG 3.45Å; F459-Y481 HydrophobicContact CE2-CG 3.45Å; F459-Y481 VanDerWaalsContact CE2-CG 3.45Å; F459-Y481 HydrophobicContact CZ-CG 4.39Å
460	V	93.6	Very high	90.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.9	-42.1	176.9	172.8	0	0	0	0	111.1	W412 E456 V457 D458 I462 V463 R464 V471 A474 R475	W412-V460 HydrophobicContact CH2-CB 4.19Å; W412-V460 HydrophobicContact CH2-CG1 3.74Å; W412-V460 HydrophobicContact CZ2-CB 4.05Å; W412-V460 HydrophobicContact CZ2-CG1 3.54Å; W412-V460 HydrophobicContact CZ3-CG1 4.41Å; E456-V460 VanDerWaalsContact O-CG2 3.23Å; E456-V460 WeakPolarHBondContact O-CG2 3.46Å; E456-V460 PolarHBondContact O-N 3.11Å; V457-V460 PolarHBondContact O-N 3.37Å; D458-V460 VanDerWaalsContact C-N 3.35Å; D458-V460 PolarHBondContact O-N 3.35Å; V460-I462 VanDerWaalsContact C-N 3.26Å; V460-I462 PolarHBondContact O-N 3.18Å; V460-V463 PolarHBondContact O-N 3.15Å; V460-R464 HydrophobicContact CG1-CB 3.98Å; V460-R464 HydrophobicContact CG1-CG 4.39Å; V460-R464 WeakPolarHBondContact O-CB 3.36Å; V460-R464 PolarHBondContact O-N 3.44Å; V460-V471 HydrophobicContact CG1-CG1 4.25Å; V460-V471 HydrophobicContact CG1-CG2 4.39Å; V460-A474 HydrophobicContact CB-CB 4.24Å; V460-A474 HydrophobicContact CG1-CB 4.12Å; V460-A474 HydrophobicContact CG2-CB 3.78Å; V460-R475 HydrophobicContact CG2-CG 4.11Å
461	K	94.2	Very high	90.5	Very high	20 Å²	20	32.5 Å²	32.5	9%	0.087	16%	0.164	C	C	.	.	H	α-helix	trans	-57.9	-39.4	176.5	-65.2	171.7	-170.2	164.1	0	112.1	D419 E422 F446 V457 D458 F459	D419-K461 HydrophobicContact CB-CD 4.02Å; D419-K461 IonicContact OD2-NZ 3.68Å; D419-K461 PolarHBondContact OD2-NZ 2.8Å; E422-K461 HydrophobicContact CB-CB 4Å; E422-K461 HydrophobicContact CB-CG 4.32Å; E422-K461 HydrophobicContact CG-CB 3.84Å; E422-K461 HydrophobicContact CG-CG 4.31Å; E422-K461 WeakPolarHBondContact CG-O 3.35Å; F446-K461 HydrophobicContact CE1-CB 4.42Å; F446-K461 HydrophobicContact CE1-CD 3.61Å; F446-K461 HydrophobicContact CZ-CB 4.02Å; F446-K461 HydrophobicContact CZ-CD 3.94Å; V457-K461 WeakPolarHBondContact O-CG 3.37Å; V457-K461 PolarHBondContact O-N 2.85Å; D458-K461 WeakPolarHBondContact O-CB 3.43Å; D458-K461 PolarHBondContact O-N 2.92Å; D458-K461 IonicContact OD1-NZ 2.81Å; D458-K461 PolarHBondContact OD1-NZ 3.07Å; F459-K461 VanDerWaalsContact C-N 3.29Å; F459-K461 PolarHBondContact O-N 2.84Å
462	I	94.7	Very high	90.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69.6	-43.4	-178.8	-65.3	166.6	0	0	0	111.6	I425 M434 Y439 C442 L443 F446 I454 D458 F459 V460 P466	I425-I462 HydrophobicContact CD1-CG1 4.09Å; M434-I462 HydrophobicContact CE-CG2 4.35Å; Y439-I462 HydrophobicContact CD2-CG2 4.03Å; Y439-I462 HydrophobicContact CE2-CG2 4.03Å; C442-I462 HydrophobicContact CB-CB 4.5Å; C442-I462 HydrophobicContact CB-CD1 4.47Å; C442-I462 HydrophobicContact CB-CG1 4.24Å; C442-I462 HydrophobicContact CB-CG2 3.56Å; C442-I462 WeakPolarHBondContact O-CD1 3.47Å; L443-I462 HydrophobicContact CD2-CD1 3.91Å; F446-I462 HydrophobicContact CB-CD1 4.41Å; F446-I462 HydrophobicContact CD2-CD1 3.66Å; F446-I462 HydrophobicContact CD2-CG1 3.61Å; F446-I462 HydrophobicContact CE2-CD1 4.28Å; F446-I462 HydrophobicContact CE2-CG1 3.7Å; F446-I462 HydrophobicContact CG-CD1 4.29Å; I454-I462 HydrophobicContact CD1-CD1 3.51Å; D458-I462 WeakPolarHBondContact O-CG1 3.34Å; D458-I462 PolarHBondContact O-N 3Å; F459-I462 WeakPolarHBondContact O-CB 3.4Å; F459-I462 PolarHBondContact O-N 3.08Å; V460-I462 VanDerWaalsContact C-N 3.26Å; V460-I462 PolarHBondContact O-N 3.18Å; I462-P466 WeakPolarHBondContact O-CD 3.5Å; I462-P466 VanDerWaalsContact O-CG 3.28Å; I462-P466 WeakPolarHBondContact O-CG 3.43Å
463	V	92.3	Very high	90.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-98.5	-31.2	-168	-61.4	0	0	0	0	114.3	M434 Y439 F459 V460 L465 K467 M469 A474	M434-V463 HydrophobicContact CE-CG1 4.23Å; Y439-V463 HydrophobicContact CE2-CG1 3.89Å; F459-V463 HydrophobicContact CD1-CG1 4.46Å; F459-V463 HydrophobicContact CD1-CG2 3.85Å; F459-V463 HydrophobicContact CE1-CB 4.45Å; F459-V463 HydrophobicContact CE1-CG1 3.96Å; F459-V463 HydrophobicContact CE1-CG2 3.64Å; F459-V463 HydrophobicContact CZ-CG1 4.04Å; F459-V463 WeakPolarHBondContact O-CG2 3.38Å; F459-V463 PolarHBondContact O-N 3.12Å; F459-V463 VanDerWaalsContact O-N 3.15Å; V460-V463 PolarHBondContact O-N 3.15Å; V463-L465 PolarHBondContact O-N 3.18Å; V463-K467 HydrophobicContact CB-CD 4.04Å; V463-K467 HydrophobicContact CB-CG 4.36Å; V463-K467 HydrophobicContact CG1-CD 4.15Å; V463-K467 WeakPolarHBondContact O-CA 3.02Å; V463-K467 VanDerWaalsContact O-CB 3.24Å; V463-K467 WeakPolarHBondContact O-CB 3.22Å; V463-K467 PolarHBondContact O-N 3.48Å; V463-M469 HydrophobicContact CB-CE 4.35Å; V463-M469 HydrophobicContact CB-SD 3.88Å; V463-M469 HydrophobicContact CG2-CE 4.48Å; V463-M469 HydrophobicContact CG2-SD 3.46Å; V463-M469 WeakPolarHBondContact CG2-SD 3.35Å; V463-A474 HydrophobicContact CG2-CB 3.64Å
464	R	89.7	Confident	90.5	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-54.2	-165.1	-177.1	-172.7	63.1	101.3	6.6	113.5	M409 E422 V460 Q468 M469	M409-R464 PolarHBondContact O-NH1 2.82Å; M409-R464 PolarHBondContact O-NH2 2.69Å; E422-R464 IonicContact OE1-CZ 2.71Å; E422-R464 IonicContact OE1-NE 3.97Å; E422-R464 IonicContact OE1-NH2 3.74Å; E422-R464 PolarHBondContact OE1-NH2 3.34Å; V460-R464 HydrophobicContact CG1-CB 3.98Å; V460-R464 HydrophobicContact CG1-CG 4.39Å; V460-R464 WeakPolarHBondContact O-CB 3.36Å; V460-R464 PolarHBondContact O-N 3.44Å; R464-Q468 CarbonylContact O-C 3.5Å; R464-Q468 WeakPolarHBondContact O-CA 3.41Å; R464-Q468 PolarHBondContact O-N 3.44Å; R464-M469 WeakPolarHBondContact CG-O 3.48Å; R464-M469 PolarHBondContact O-N 3.18Å; R464-M469 VanDerWaalsContact O-O 3.1Å
465	L	89.7	Confident	90.3	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-47.9	179.9	-71.1	175.4	0	0	0	112.5	R339 M409 F410 V426 V463 K467 Q468	R339-L465 HydrophobicContact CB-CD2 3.89Å; R339-L465 HydrophobicContact CG-CD2 4.29Å; M409-L465 HydrophobicContact CE-CD2 4.39Å; F410-L465 HydrophobicContact CD1-CD1 3.89Å; F410-L465 HydrophobicContact CE1-CD1 3.56Å; F410-L465 HydrophobicContact CZ-CD1 4.04Å; V426-L465 HydrophobicContact CG1-CB 4.38Å; V426-L465 HydrophobicContact CG1-CD1 4.5Å; V426-L465 HydrophobicContact CG2-CB 3.55Å; V426-L465 HydrophobicContact CG2-CD1 3.87Å; V426-L465 HydrophobicContact CG2-CG 4.36Å; V463-L465 PolarHBondContact O-N 3.18Å; L465-K467 PolarHBondContact O-N 2.95Å; L465-Q468 PolarHBondContact O-N 3.11Å
466	P	89.7	Confident	90	Very high	1 Å²	1	26 Å²	26	1%	0.006	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-44	-179.2	-28.6	39.8	0	0	0	114	I425 V426 A429 M434 I462 Q468	I425-P466 HydrophobicContact CG2-CG 3.75Å; V426-P466 HydrophobicContact CG2-CG 4.1Å; A429-P466 HydrophobicContact CB-CB 3.86Å; A429-P466 HydrophobicContact CB-CG 4.08Å; M434-P466 HydrophobicContact CE-CB 4.34Å; M434-P466 HydrophobicContact CG-CB 3.82Å; M434-P466 HydrophobicContact SD-CB 3.54Å; M434-P466 VanDerWaalsContact SD-CB 3.54Å; M434-P466 HydrophobicContact SD-CG 4.16Å; I462-P466 WeakPolarHBondContact O-CD 3.5Å; I462-P466 VanDerWaalsContact O-CG 3.28Å; I462-P466 WeakPolarHBondContact O-CG 3.43Å; P466-Q468 PolarHBondContact O-N 2.85Å
467	K	88.8	Confident	89.9	Confident	70 Å²	70	26.2 Å²	26.2	30%	0.304	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	1.6	174.8	-59.8	-171.8	167.8	171	0	113.1	M434 V463 L465 M469 E477	M434-K467 HydrophobicContact CE-CD 4.1Å; M434-K467 HydrophobicContact CE-CG 3.74Å; V463-K467 HydrophobicContact CB-CD 4.04Å; V463-K467 HydrophobicContact CB-CG 4.36Å; V463-K467 HydrophobicContact CG1-CD 4.15Å; V463-K467 WeakPolarHBondContact O-CA 3.02Å; V463-K467 VanDerWaalsContact O-CB 3.24Å; V463-K467 WeakPolarHBondContact O-CB 3.22Å; V463-K467 PolarHBondContact O-N 3.48Å; L465-K467 PolarHBondContact O-N 2.95Å; K467-M469 HydrophobicContact CB-CE 3.49Å; K467-M469 VanDerWaalsContact CB-CE 3.49Å; K467-M469 HydrophobicContact CD-CE 3.63Å; K467-M469 HydrophobicContact CG-CE 4.16Å; K467-M469 PolarHBondContact O-N 2.86Å; K467-E477 IonicContact NZ-OE1 2.82Å; K467-E477 PolarHBondContact NZ-OE1 3.44Å; K467-E477 IonicContact NZ-OE2 3.73Å
468	Q	86.3	Confident	90	Very high	55 Å²	55	25.4 Å²	25.4	26%	0.257	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	62.7	-178.9	-54.5	-178	73	0	0	111.7	Y334 L340 R464 L465 P466	Y334-Q468 HydrophobicContact CE2-CB 4.26Å; Y334-Q468 WeakPolarHBondContact CE2-O 3.47Å; Y334-Q468 PolarHBondContact OH-O 3.16Å; L340-Q468 HydrophobicContact CD1-CG 4.03Å; L340-Q468 HydrophobicContact CG-CG 4.12Å; R464-Q468 CarbonylContact O-C 3.5Å; R464-Q468 WeakPolarHBondContact O-CA 3.41Å; R464-Q468 PolarHBondContact O-N 3.44Å; L465-Q468 PolarHBondContact O-N 3.11Å; P466-Q468 PolarHBondContact O-N 2.85Å
469	M	86.1	Confident	89.7	Confident	20 Å²	20	27.9 Å²	27.9	10%	0.099	14%	0.141	C	C	.	.			trans	-126.3	159	177.7	61.9	179.4	54.6	0	0	111.7	Y334 V463 R464 K467 E473 A474 E477	Y334-M469 VanDerWaalsContact CD2-C 3.5Å; Y334-M469 WeakPolarHBondContact CD2-O 3.41Å; V463-M469 HydrophobicContact CB-CE 4.35Å; V463-M469 HydrophobicContact CB-SD 3.88Å; V463-M469 HydrophobicContact CG2-CE 4.48Å; V463-M469 HydrophobicContact CG2-SD 3.46Å; V463-M469 WeakPolarHBondContact CG2-SD 3.35Å; R464-M469 WeakPolarHBondContact CG-O 3.48Å; R464-M469 PolarHBondContact O-N 3.18Å; R464-M469 VanDerWaalsContact O-O 3.1Å; K467-M469 HydrophobicContact CB-CE 3.49Å; K467-M469 VanDerWaalsContact CB-CE 3.49Å; K467-M469 HydrophobicContact CD-CE 3.63Å; K467-M469 HydrophobicContact CG-CE 4.16Å; K467-M469 PolarHBondContact O-N 2.86Å; M469-E473 HydrophobicContact CB-CB 3.96Å; M469-A474 HydrophobicContact CG-CB 4.12Å; M469-A474 WeakPolarHBondContact SD-CA 3.4Å; M469-A474 HydrophobicContact SD-CB 3.56Å; M469-A474 VanDerWaalsContact SD-CB 3.56Å; M469-E477 WeakPolarHBondContact CE-OE2 3.5Å
470	S	84.7	Confident	89.5	Confident	12 Å²	12	31.8 Å²	31.8	8%	0.084	17%	0.168	C	C	.	.			trans	-68.5	159.7	168.8	60.6	0	0	0	0	111.8	E265 A472 E473 A474	E265-S470 WeakPolarHBondContact OE1-CB 3.49Å; S470-A472 PolarHBondContact O-N 2.88Å; S470-E473 WeakPolarHBondContact CB-OE2 3.2Å; S470-E473 PolarHBondContact N-OE2 3.41Å; S470-E473 PolarHBondContact O-N 3.36Å; S470-E473 WeakPolarHBondContact OG-CB 3.29Å; S470-E473 WeakPolarHBondContact OG-CG 3.38Å; S470-E473 PolarHBondContact OG-N 2.89Å; S470-E473 VanDerWaalsContact OG-N 3.12Å; S470-E473 PolarHBondContact OG-OE2 3Å; S470-A474 WeakPolarHBondContact O-CB 3.39Å; S470-A474 PolarHBondContact O-N 2.95Å
471	V	85.1	Confident	89.4	Confident	1 Å²	1	33 Å²	33	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-55.5	-42.4	169.4	179.3	0	0	0	0	109.6	E265 W412 V460 E473 A474 R475	E265-V471 WeakPolarHBondContact OE1-CA 3.36Å; E265-V471 WeakPolarHBondContact OE1-CB 3.49Å; E265-V471 WeakPolarHBondContact OE1-CG2 3.11Å; E265-V471 PolarHBondContact OE1-N 3.03Å; W412-V471 HydrophobicContact CD2-CG2 4.02Å; W412-V471 HydrophobicContact CE3-CB 4.47Å; W412-V471 HydrophobicContact CE3-CG1 4.09Å; W412-V471 HydrophobicContact CE3-CG2 3.51Å; W412-V471 HydrophobicContact CH2-CG1 4.22Å; W412-V471 HydrophobicContact CZ3-CB 4.43Å; W412-V471 HydrophobicContact CZ3-CG1 3.59Å; W412-V471 HydrophobicContact CZ3-CG2 3.9Å; V460-V471 HydrophobicContact CG1-CG1 4.25Å; V460-V471 HydrophobicContact CG1-CG2 4.39Å; V471-E473 PolarHBondContact O-N 3.33Å; V471-A474 PolarHBondContact O-N 3.25Å; V471-R475 HydrophobicContact CG1-CG 4.41Å; V471-R475 VanDerWaalsContact O-CG 3.25Å; V471-R475 WeakPolarHBondContact O-CG 3.1Å; V471-R475 PolarHBondContact O-N 2.9Å
472	A	82.9	Confident	89.1	Confident	25 Å²	25	35.7 Å²	35.7	21%	0.207	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-44.2	177.7	0	0	0	0	0	112.6	S470 R475 M476	S470-A472 PolarHBondContact O-N 2.88Å; A472-R475 PolarHBondContact O-N 3.47Å; A472-M476 WeakPolarHBondContact O-CG 3.49Å; A472-M476 PolarHBondContact O-N 2.91Å; A472-M476 VanDerWaalsContact O-N 3.12Å
473	E	87.1	Confident	88.8	Confident	63 Å²	63	41.8 Å²	41.8	29%	0.294	23%	0.225	S	C	.	.	H	α-helix	trans	-64.9	-43.2	175	-74.7	156.9	164.5	0	0	111.9	M469 S470 V471 R475 M476 E477 R536	M469-E473 HydrophobicContact CB-CB 3.96Å; S470-E473 WeakPolarHBondContact CB-OE2 3.2Å; S470-E473 PolarHBondContact N-OE2 3.41Å; S470-E473 PolarHBondContact O-N 3.36Å; S470-E473 WeakPolarHBondContact OG-CB 3.29Å; S470-E473 WeakPolarHBondContact OG-CG 3.38Å; S470-E473 PolarHBondContact OG-N 2.89Å; S470-E473 VanDerWaalsContact OG-N 3.12Å; S470-E473 PolarHBondContact OG-OE2 3Å; V471-E473 PolarHBondContact O-N 3.33Å; E473-R475 VanDerWaalsContact C-N 3.31Å; E473-R475 PolarHBondContact O-N 3.39Å; E473-M476 HydrophobicContact CB-CE 4.29Å; E473-M476 HydrophobicContact CG-CE 3.85Å; E473-M476 WeakPolarHBondContact O-CB 3.15Å; E473-M476 PolarHBondContact O-N 3.23Å; E473-M476 VanDerWaalsContact O-N 3.12Å; E473-E477 PolarHBondContact O-N 2.95Å; E473-R536 IonicContact OE1-NH1 2.62Å
474	A	90.5	Very high	88.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-39.5	175.8	0	0	0	0	0	112.6	F459 V460 V463 M469 S470 V471 E477 Y478	F459-A474 WeakPolarHBondContact CE1-O 3.41Å; V460-A474 HydrophobicContact CB-CB 4.24Å; V460-A474 HydrophobicContact CG1-CB 4.12Å; V460-A474 HydrophobicContact CG2-CB 3.78Å; V463-A474 HydrophobicContact CG2-CB 3.64Å; M469-A474 HydrophobicContact CG-CB 4.12Å; M469-A474 WeakPolarHBondContact SD-CA 3.4Å; M469-A474 HydrophobicContact SD-CB 3.56Å; M469-A474 VanDerWaalsContact SD-CB 3.56Å; S470-A474 WeakPolarHBondContact O-CB 3.39Å; S470-A474 PolarHBondContact O-N 2.95Å; V471-A474 PolarHBondContact O-N 3.25Å; A474-E477 PolarHBondContact O-N 3.35Å; A474-Y478 WeakPolarHBondContact O-CB 3.47Å; A474-Y478 PolarHBondContact O-N 3.33Å
475	R	89.6	Confident	88.2	Confident	44 Å²	44	47.7 Å²	47.7	17%	0.166	26%	0.261	C	S	.	.	H	α-helix	trans	-67.1	-35.5	174.9	-70.5	-178.4	175.8	136.8	5.3	112.9	E21 E456 V460 V471 A472 E473 Y478 S479	E21-R475 IonicContact OE1-CZ 2.78Å; E21-R475 IonicContact OE1-NH1 2.79Å; E21-R475 PolarHBondContact OE1-NH1 3.29Å; E21-R475 IonicContact OE1-NH2 3.44Å; E456-R475 HydrophobicContact CG-CG 3.99Å; E456-R475 WeakPolarHBondContact OE1-CD 3.49Å; E456-R475 VanDerWaalsContact OE1-CG 3.23Å; E456-R475 WeakPolarHBondContact OE1-CG 3.49Å; E456-R475 IonicContact OE1-CZ 3.7Å; E456-R475 IonicContact OE1-NE 3.38Å; E456-R475 PolarHBondContact OE1-NE 3.04Å; V460-R475 HydrophobicContact CG2-CG 4.11Å; V471-R475 HydrophobicContact CG1-CG 4.41Å; V471-R475 VanDerWaalsContact O-CG 3.25Å; V471-R475 WeakPolarHBondContact O-CG 3.1Å; V471-R475 PolarHBondContact O-N 2.9Å; A472-R475 PolarHBondContact O-N 3.47Å; E473-R475 VanDerWaalsContact C-N 3.31Å; E473-R475 PolarHBondContact O-N 3.39Å; R475-Y478 WeakPolarHBondContact O-CB 3.31Å; R475-Y478 PolarHBondContact O-N 3.48Å; R475-S479 PolarHBondContact O-N 3.28Å; R475-S479 PolarHBondContact O-OG 3.35Å
476	M	87.9	Confident	87.6	Confident	112 Å²	112	52.3 Å²	52.3	55%	0.552	29%	0.291	S	S	*	.	H	α-helix	trans	-65.8	-43.6	173.6	-70.4	-174	-66.6	0	0	110.7	A472 E473 Y478 S479	A472-M476 WeakPolarHBondContact O-CG 3.49Å; A472-M476 PolarHBondContact O-N 2.91Å; A472-M476 VanDerWaalsContact O-N 3.12Å; E473-M476 HydrophobicContact CB-CE 4.29Å; E473-M476 HydrophobicContact CG-CE 3.85Å; E473-M476 WeakPolarHBondContact O-CB 3.15Å; E473-M476 PolarHBondContact O-N 3.23Å; E473-M476 VanDerWaalsContact O-N 3.12Å; M476-Y478 VanDerWaalsContact C-N 3.31Å; M476-Y478 PolarHBondContact O-N 3.02Å; M476-S479 WeakPolarHBondContact O-CB 3.49Å; M476-S479 PolarHBondContact O-N 3.18Å
477	E	91	Very high	86.2	Confident	62 Å²	62	59.5 Å²	59.5	29%	0.29	33%	0.329	S	S	.	.	H	α-helix	trans	-65.2	-34.7	176.2	-166.4	176.7	159.3	0	0	112.3	F459 K467 M469 E473 A474 S479 S480 Y481	F459-E477 HydrophobicContact CE1-CB 4.12Å; F459-E477 HydrophobicContact CE1-CG 4.28Å; F459-E477 HydrophobicContact CZ-CB 4.38Å; F459-E477 HydrophobicContact CZ-CG 4.07Å; K467-E477 IonicContact NZ-OE1 2.82Å; K467-E477 PolarHBondContact NZ-OE1 3.44Å; K467-E477 IonicContact NZ-OE2 3.73Å; M469-E477 WeakPolarHBondContact CE-OE2 3.5Å; E473-E477 PolarHBondContact O-N 2.95Å; A474-E477 PolarHBondContact O-N 3.35Å; E477-S479 PolarHBondContact O-N 3.28Å; E477-S480 WeakPolarHBondContact O-CB 3.41Å; E477-S480 PolarHBondContact O-N 3.37Å; E477-S480 VanDerWaalsContact O-N 3.1Å; E477-Y481 PolarHBondContact O-N 3.3Å
478	Y	94.4	Very high	84.2	Confident	27 Å²	27	63.6 Å²	63.6	11%	0.106	35%	0.349	C	S	.	.	H	α-helix	trans	-58.6	-35.4	173.4	178.9	-111.7	0	0	0	112.8	I454 E456 F459 A474 R475 M476 S480 Y481 I482	I454-Y478 WeakPolarHBondContact O-CE2 3.25Å; I454-Y478 PolarHBondContact O-OH 2.88Å; E456-Y478 HydrophobicContact CB-CD1 3.59Å; E456-Y478 HydrophobicContact CB-CE1 3.41Å; E456-Y478 VanDerWaalsContact CB-CE1 3.41Å; E456-Y478 HydrophobicContact CB-CE2 4.45Å; E456-Y478 HydrophobicContact CB-CG 4.18Å; E456-Y478 HydrophobicContact CG-CD1 3.53Å; E456-Y478 HydrophobicContact CG-CE1 3.92Å; E456-Y478 HydrophobicContact CG-CG 4.01Å; E456-Y478 VanDerWaalsContact N-CZ 3.33Å; E456-Y478 PolarHBondContact N-OH 3.28Å; F459-Y478 HydrophobicContact CB-CD2 3.49Å; F459-Y478 VanDerWaalsContact CB-CD2 3.49Å; F459-Y478 HydrophobicContact CB-CE2 4.03Å; F459-Y478 HydrophobicContact CB-CG 4.32Å; F459-Y478 HydrophobicContact CD1-CD2 4.02Å; F459-Y478 HydrophobicContact CD1-CG 4.3Å; F459-Y478 AromaticContact CD2-CD2 3.82Å; F459-Y478 HydrophobicContact CD2-CD2 3.82Å; F459-Y478 AromaticContact CG-CD2 3.52Å; F459-Y478 HydrophobicContact CG-CD2 3.52Å; F459-Y478 HydrophobicContact CG-CE2 4.41Å; F459-Y478 HydrophobicContact CG-CG 4.25Å; A474-Y478 WeakPolarHBondContact O-CB 3.47Å; A474-Y478 PolarHBondContact O-N 3.33Å; R475-Y478 WeakPolarHBondContact O-CB 3.31Å; R475-Y478 PolarHBondContact O-N 3.48Å; M476-Y478 VanDerWaalsContact C-N 3.31Å; M476-Y478 PolarHBondContact O-N 3.02Å; Y478-S480 VanDerWaalsContact C-N 3.31Å; Y478-S480 PolarHBondContact O-N 3.4Å; Y478-Y481 AromaticContact CD2-CD1 3.68Å; Y478-Y481 HydrophobicContact CD2-CD1 3.68Å; Y478-Y481 HydrophobicContact CD2-CE1 4.36Å; Y478-Y481 AromaticContact CE2-CD1 3.71Å; Y478-Y481 HydrophobicContact CE2-CD1 3.71Å; Y478-Y481 HydrophobicContact CE2-CE1 4.01Å; Y478-Y481 WeakPolarHBondContact O-CB 3.44Å; Y478-Y481 PolarHBondContact O-N 3.45Å; Y478-I482 HydrophobicContact CD1-CD1 3.66Å; Y478-I482 HydrophobicContact CD1-CG1 4.32Å; Y478-I482 HydrophobicContact CD2-CG1 4.43Å; Y478-I482 HydrophobicContact CE1-CD1 3.06Å; Y478-I482 HydrophobicContact CE1-CG1 3.83Å; Y478-I482 HydrophobicContact CE2-CD1 4.12Å; Y478-I482 HydrophobicContact CE2-CG1 3.95Å; Y478-I482 HydrophobicContact CG-CD1 4.4Å; Y478-I482 PolarHBondContact O-N 3.21Å
479	S	90.4	Very high	81.9	Confident	70 Å²	70	65.6 Å²	65.6	49%	0.49	37%	0.369	S	S	.	.	H	α-helix	trans	-63	-40.3	176.3	-58.1	0	0	0	0	111.4	R475 M476 E477 V483	R475-S479 PolarHBondContact O-N 3.28Å; R475-S479 PolarHBondContact O-OG 3.35Å; M476-S479 WeakPolarHBondContact O-CB 3.49Å; M476-S479 PolarHBondContact O-N 3.18Å; E477-S479 PolarHBondContact O-N 3.28Å; S479-V483 WeakPolarHBondContact O-CG2 3.3Å; S479-V483 PolarHBondContact O-N 3.04Å
480	S	90.5	Very high	79.6	Confident	82 Å²	82	69.8 Å²	69.8	57%	0.573	40%	0.4	S	S	*	.	H	α-helix	trans	-67.5	-40.2	173.4	-58.4	0	0	0	0	111.8	E477 Y478 V483 S484	E477-S480 WeakPolarHBondContact O-CB 3.41Å; E477-S480 PolarHBondContact O-N 3.37Å; E477-S480 VanDerWaalsContact O-N 3.1Å; Y478-S480 VanDerWaalsContact C-N 3.31Å; Y478-S480 PolarHBondContact O-N 3.4Å; S480-V483 PolarHBondContact O-N 3.35Å; S480-S484 PolarHBondContact O-N 3.28Å; S480-S484 PolarHBondContact O-OG 3.03Å
481	Y	90.6	Very high	77.1	Confident	25 Å²	25	78.6 Å²	78.6	10%	0.098	44%	0.437	C	S	.	.	H	α-helix	trans	-57.8	-49.2	175.8	165.5	-103	0	0	0	111.9	L443 P453 I454 F459 E477 Y478 V483 S484 F485	L443-Y481 HydrophobicContact CD1-CE2 4.19Å; L443-Y481 HydrophobicContact CD2-CE2 4.11Å; P453-Y481 HydrophobicContact CB-CE1 4.01Å; I454-Y481 HydrophobicContact CG1-CE1 3.94Å; F459-Y481 AromaticContact CD2-CD1 3.77Å; F459-Y481 HydrophobicContact CD2-CD1 3.77Å; F459-Y481 HydrophobicContact CD2-CD2 4.31Å; F459-Y481 HydrophobicContact CD2-CE1 4.2Å; F459-Y481 AromaticContact CD2-CG 3.83Å; F459-Y481 HydrophobicContact CD2-CG 3.83Å; F459-Y481 VanDerWaalsContact CE2-CB 3.48Å; F459-Y481 AromaticContact CE2-CD1 3.9Å; F459-Y481 HydrophobicContact CE2-CD1 3.9Å; F459-Y481 AromaticContact CE2-CD2 3.83Å; F459-Y481 HydrophobicContact CE2-CD2 3.83Å; F459-Y481 AromaticContact CE2-CG 3.45Å; F459-Y481 HydrophobicContact CE2-CG 3.45Å; F459-Y481 VanDerWaalsContact CE2-CG 3.45Å; F459-Y481 HydrophobicContact CZ-CG 4.39Å; E477-Y481 PolarHBondContact O-N 3.3Å; Y478-Y481 AromaticContact CD2-CD1 3.68Å; Y478-Y481 HydrophobicContact CD2-CD1 3.68Å; Y478-Y481 HydrophobicContact CD2-CE1 4.36Å; Y478-Y481 AromaticContact CE2-CD1 3.71Å; Y478-Y481 HydrophobicContact CE2-CD1 3.71Å; Y478-Y481 HydrophobicContact CE2-CE1 4.01Å; Y478-Y481 WeakPolarHBondContact O-CB 3.44Å; Y478-Y481 PolarHBondContact O-N 3.45Å; Y481-V483 VanDerWaalsContact C-N 3.34Å; Y481-V483 PolarHBondContact O-N 3.06Å; Y481-S484 CarbonylContact O-C 3.6Å; Y481-S484 PolarHBondContact O-N 3.37Å; Y481-S484 PolarHBondContact O-OG 2.66Å; Y481-F485 HydrophobicContact CE2-CD2 4.26Å; Y481-F485 AromaticContact CZ-CD2 3.93Å; Y481-F485 PolarHBondContact O-N 2.75Å
482	I	90	Very high	74.5	Confident	77 Å²	77	80.9 Å²	80.9	40%	0.395	46%	0.461	S	S	.	.	H	α-helix	trans	-58.5	-46.1	178.1	-70.4	165.3	0	0	0	111.2	Y478 S484 F485	Y478-I482 HydrophobicContact CD1-CD1 3.66Å; Y478-I482 HydrophobicContact CD1-CG1 4.32Å; Y478-I482 HydrophobicContact CD2-CG1 4.43Å; Y478-I482 HydrophobicContact CE1-CD1 3.06Å; Y478-I482 HydrophobicContact CE1-CG1 3.83Å; Y478-I482 HydrophobicContact CE2-CD1 4.12Å; Y478-I482 HydrophobicContact CE2-CG1 3.95Å; Y478-I482 HydrophobicContact CG-CD1 4.4Å; Y478-I482 PolarHBondContact O-N 3.21Å; I482-S484 PolarHBondContact O-N 3.44Å; I482-F485 WeakPolarHBondContact O-CB 3.35Å; I482-F485 PolarHBondContact O-N 3.4Å; I482-F485 VanDerWaalsContact O-N 3.14Å
483	V	88.2	Confident	71.8	Confident	129 Å²	129	85.4 Å²	85.4	78%	0.782	49%	0.49	S	S	*	.	H	α-helix	trans	-63.2	-34.1	-178.6	172.7	0	0	0	0	111.5	S479 S480 Y481	S479-V483 WeakPolarHBondContact O-CG2 3.3Å; S479-V483 PolarHBondContact O-N 3.04Å; S480-V483 PolarHBondContact O-N 3.35Å; Y481-V483 VanDerWaalsContact C-N 3.34Å; Y481-V483 PolarHBondContact O-N 3.06Å
484	S	85.2	Confident	68.9	Low	85 Å²	85	91.3 Å²	91.3	59%	0.594	52%	0.515	S	S	*	.	H	α-helix	trans	-83.8	-10.7	177.4	70.2	0	0	0	0	114.6	S480 Y481 I482 P486	S480-S484 PolarHBondContact O-N 3.28Å; S480-S484 PolarHBondContact O-OG 3.03Å; Y481-S484 CarbonylContact O-C 3.6Å; Y481-S484 PolarHBondContact O-N 3.37Å; Y481-S484 PolarHBondContact O-OG 2.66Å; I482-S484 PolarHBondContact O-N 3.44Å; S484-P486 WeakPolarHBondContact O-CD 3.46Å
485	F	84.3	Confident	65.9	Low	40 Å²	40	95.9 Å²	95.9	18%	0.175	55%	0.546	C	S	.	.	S	Bend	trans	-67.4	122.4	-175.8	-170.2	-94.6	0	0	0	109.2	P453 Y481 I482 L487	P453-F485 HydrophobicContact CB-CD1 4.24Å; P453-F485 HydrophobicContact CB-CD2 4.05Å; P453-F485 HydrophobicContact CB-CE1 4.44Å; P453-F485 HydrophobicContact CB-CE2 4.27Å; P453-F485 HydrophobicContact CB-CG 4.04Å; P453-F485 HydrophobicContact CB-CZ 4.46Å; P453-F485 HydrophobicContact CG-CD1 4.5Å; Y481-F485 HydrophobicContact CE2-CD2 4.26Å; Y481-F485 AromaticContact CZ-CD2 3.93Å; Y481-F485 PolarHBondContact O-N 2.75Å; I482-F485 WeakPolarHBondContact O-CB 3.35Å; I482-F485 PolarHBondContact O-N 3.4Å; I482-F485 VanDerWaalsContact O-N 3.14Å; F485-L487 PolarHBondContact O-N 3.28Å
486	P	75.6	Confident	63.2	Low	98 Å²	98	104.1 Å²	104.1	64%	0.636	58%	0.578	S	S	*	*			trans	-64.7	101.3	177.5	-17.4	30.3	0	0	0	109	S484 Q488	S484-P486 WeakPolarHBondContact O-CD 3.46Å; P486-Q488 VanDerWaalsContact C-N 3.26Å; P486-Q488 PolarHBondContact O-N 2.97Å
487	L	60.6	Low	60.2	Low	152 Å²	152	109.7 Å²	109.7	80%	0.796	59%	0.593	S	S	*	*			trans	-63.4	99.1	158.4	-71.4	169.1	0	0	0	105	F485 S489	F485-L487 PolarHBondContact O-N 3.28Å; L487-S489 PolarHBondContact O-N 2.78Å
488	Q	46.8	Very low	57.1	Low	157 Å²	157	112.8 Å²	112.8	73%	0.734	62%	0.62	S	S	*	*			trans	-59.2	105.8	158.6	-80.2	-170.9	-6	0	0	104.4	P486 S490	P486-Q488 VanDerWaalsContact C-N 3.26Å; P486-Q488 PolarHBondContact O-N 2.97Å; Q488-S490 PolarHBondContact O-N 3.35Å
489	S	39	Very low	53.8	Low	97 Å²	97	119.7 Å²	119.7	68%	0.678	65%	0.654	S	S	*	*			trans	-42.7	122.4	161.5	55	0	0	0	0	104.3	L487 K491	L487-S489 PolarHBondContact O-N 2.78Å; S489-K491 VanDerWaalsContact C-N 3.31Å; S489-K491 PolarHBondContact O-N 3.18Å
490	S	36.6	Very low	50.8	Low	107 Å²	107	123.7 Å²	123.7	75%	0.748	67%	0.669	S	S	*	*			trans	-42.6	115.4	159.2	43.4	0	0	0	0	103.7	Q488 G492	Q488-S490 PolarHBondContact O-N 3.35Å; S490-G492 PolarHBondContact O-N 3.44Å
491	K	32.8	Very low	47.7	Very low	197 Å²	197	128.8 Å²	128.8	86%	0.857	68%	0.684	S	S	*	*			trans	-50.9	107.5	165	-81.3	-175.8	175.5	-178.2	0	101.3	S489 C493	S489-K491 VanDerWaalsContact C-N 3.31Å; S489-K491 PolarHBondContact O-N 3.18Å; K491-C493 PolarHBondContact O-N 2.86Å
492	G	30.3	Very low	44.6	Very low	50 Å²	50	133 Å²	133	52%	0.515	72%	0.717	S	S	.	*			trans	-45	127.2	171.4	0	0	0	0	0	103	S490 F494	S490-G492 PolarHBondContact O-N 3.44Å; G492-F494 PolarHBondContact O-N 3.46Å
493	C	25.9	Very low	41.5	Very low	119 Å²	119	140.2 Å²	140.2	80%	0.804	74%	0.739	S	S	*	*			trans	-56.9	87.2	168.9	-165.2	0	0	0	0	104.5	K491 C495	K491-C493 PolarHBondContact O-N 2.86Å; C493-C495 PolarHBondContact O-N 2.92Å
494	F	27.3	Very low	38.6	Very low	188 Å²	188	139.7 Å²	139.7	83%	0.825	74%	0.736	S	S	*	*			trans	-73.7	82.3	171.1	-117	-86.9	0	0	0	101.5	G492 Y496	G492-F494 PolarHBondContact O-N 3.46Å; F494-Y496 PolarHBondContact O-N 2.86Å
495	C	27.5	Very low	35.7	Very low	96 Å²	96	145.8 Å²	145.8	65%	0.649	75%	0.748	S	S	*	*			trans	-52	113.7	162.4	-83.4	0	0	0	0	105.5	C493 R497	C493-C495 PolarHBondContact O-N 2.92Å; C495-R497 PolarHBondContact O-N 3.49Å
496	Y	31.4	Very low	32.8	Very low	217 Å²	217	148.2 Å²	148.2	85%	0.851	78%	0.776	S	S	*	*	S	Bend	trans	-70.2	41.1	178.2	-114	-86.7	0	0	0	111.6	F494	F494-Y496 PolarHBondContact O-N 2.86Å
497	R	25.8	Very low	30.3	Very low	228 Å²	228	150.9 Å²	150.9	86%	0.86	78%	0.784	S	S	*	*			trans	-147.1	36.8	-169.6	-139	177.9	-167.8	177.7	3.1	115.7	C495	C495-R497 PolarHBondContact O-N 3.49Å
498	C	26.5	Very low	28.5	Very low	127 Å²	127	147.5 Å²	147.5	86%	0.858	79%	0.786	S	S	*	*			trans	-141.8	57.5	158.1	-72	0	0	0	0	108.1	D500	C498-D500 VanDerWaalsContact C-N 3.33Å; C498-D500 PolarHBondContact O-N 3.06Å
499	E	24.3	Very low	27.6	Very low	173 Å²	173	144.5 Å²	144.5	81%	0.808	79%	0.788	S	S	*	*			trans	-77.6	95.3	150.5	-78.1	-176.5	163.3	0	0	105.5
500	D	26.7	Very low	26.8	Very low	153 Å²	153	147.1 Å²	147.1	82%	0.818	79%	0.793	S	S	*	*			trans	172	90.7	152.7	-90.2	-24.7	0	0	0	107.1	C498	C498-D500 VanDerWaalsContact C-N 3.33Å; C498-D500 PolarHBondContact O-N 3.06Å
501	E	26.8	Very low	26.1	Very low	189 Å²	189	146.7 Å²	146.7	88%	0.883	80%	0.796	S	S	*	*			trans	171.3	62.6	146.4	-93.8	176	-168.4	0	0	108.7
502	S	25.2	Very low	25.8	Very low	113 Å²	113	143 Å²	143	79%	0.79	79%	0.79	S	S	*	*			trans	-87.7	114.5	152	50.8	0	0	0	0	106.8
503	R	24.9	Very low	25.5	Very low	229 Å²	229	145.1 Å²	145.1	86%	0.864	80%	0.797	S	S	*	*			trans	106.7	100.8	-170.2	-66.2	159.4	176.7	-172.6	0.3	107.6
504	V	27	Very low	25.6	Very low	118 Å²	118	147.5 Å²	147.5	72%	0.715	80%	0.801	S	S	*	*	S	Bend		-158.8	153.5	74.3	-176.2	0	0	0	0	108.7
505	Y	25.4	Very low	25.4	Very low	213 Å²	213	147.4 Å²	147.4	84%	0.835	80%	0.804	S	S	*	*			trans	92.1	61.3	175.4	-59	-77.1	0	0	0	116.8
506	A	23.1	Very low	25.5	Very low	92 Å²	92	151.1 Å²	151.1	76%	0.76	81%	0.811	S	S	*	*				-73.9	109.8	128.1	0	0	0	0	0	107.5
507	D	23	Very low	25.2	Very low	154 Å²	154	150.3 Å²	150.3	82%	0.824	82%	0.815	S	S	*	*			trans	160.4	120.4	141.6	-84.4	-20.7	0	0	0	111.3
508	G	23.3	Very low	25.4	Very low	80 Å²	80	147.6 Å²	147.6	83%	0.825	81%	0.813	S	S	*	*			trans	67.4	104.6	149.8	0	0	0	0	0	119.2
509	A	26.4	Very low	25.6	Very low	94 Å²	94	147 Å²	147	78%	0.777	81%	0.809	S	S	*	*				165.1	114.7	117	0	0	0	0	0	112.5
510	I	23.4	Very low	25.8	Very low	152 Å²	152	145.2 Å²	145.2	78%	0.779	81%	0.805	S	S	*	*			trans	51.5	106.1	132	-53	173.4	0	0	0	117.3	T512	I510-T512 HydrophobicContact CG2-CG2 4.5Å; I510-T512 PolarHBondContact O-N 3.4Å
511	A	22.1	Very low	26.1	Very low	98 Å²	98	142.3 Å²	142.3	81%	0.81	79%	0.794	S	S	*	*			trans	-55.4	120.6	158	0	0	0	0	0	112.3
512	T	24.6	Very low	26.3	Very low	120 Å²	120	139.8 Å²	139.8	74%	0.736	78%	0.781	S	S	*	*			trans	-140.9	113.8	151.2	46.8	0	0	0	0	111.2	I510	I510-T512 HydrophobicContact CG2-CG2 4.5Å; I510-T512 PolarHBondContact O-N 3.4Å
513	S	24.3	Very low	26.8	Very low	95 Å²	95	139.5 Å²	139.5	66%	0.664	77%	0.774	S	S	*	*			trans	56.4	82.4	141.4	66.1	0	0	0	0	119.2
514	N	27.6	Very low	27	Very low	168 Å²	168	139.6 Å²	139.6	90%	0.898	77%	0.774	S	S	*	*			trans	-88.9	93.3	138.1	-90	-25.8	0	0	0	108	Q516	N514-Q516 PolarHBondContact O-N 3.21Å
515	Q	24.1	Very low	27.2	Very low	187 Å²	187	140.4 Å²	140.4	87%	0.874	77%	0.77	S	S	*	*			trans	-65.9	78.6	166.4	-74.8	-177.5	-17.8	0	0	109.3
516	Q	29	Very low	27.4	Very low	173 Å²	173	134 Å²	134	81%	0.808	75%	0.75	S	S	*	*			trans	-83	118.3	153.3	-81.7	-175.3	-17.1	0	0	107.1	N514 Q518	N514-Q516 PolarHBondContact O-N 3.21Å; Q516-Q518 PolarHBondContact O-N 3.05Å
517	Q	26.1	Very low	27.9	Very low	200 Å²	200	132.3 Å²	132.3	94%	0.935	74%	0.741	S	S	*	*			trans	-49.8	83.7	174.4	-73.3	164	-40.7	0	0	111.1	S519	Q517-S519 PolarHBondContact O-N 3.04Å
518	Q	29.2	Very low	28.5	Very low	172 Å²	172	130.3 Å²	130.3	80%	0.804	74%	0.737	S	S	*	*			trans	-71.4	110.4	156.7	-71.6	-176.6	-1.8	0	0	105.7	Q516 L520	Q516-Q518 PolarHBondContact O-N 3.05Å; Q518-L520 PolarHBondContact O-N 3.27Å; Q518-L520 VanDerWaalsContact O-N 3.07Å
519	S	31	Very low	28.8	Very low	113 Å²	113	132.4 Å²	132.4	79%	0.79	73%	0.728	S	S	*	*			trans	-43.9	118	167	40.3	0	0	0	0	109.1	Q517	Q517-S519 PolarHBondContact O-N 3.04Å
520	L	28.9	Very low	29	Very low	137 Å²	137	133.2 Å²	133.2	72%	0.717	72%	0.719	S	S	*	*			trans	-45.9	122.2	-175.5	-82.3	149.9	0	0	0	110.6	Q518 F522 V523	Q518-L520 PolarHBondContact O-N 3.27Å; Q518-L520 VanDerWaalsContact O-N 3.07Å; L520-F522 PolarHBondContact O-N 3.33Å; L520-V523 PolarHBondContact O-N 3.11Å
521	P	33.9	Very low	29.3	Very low	91 Å²	91	131.1 Å²	131.1	59%	0.591	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-16.4	178.7	-23.6	31.5	0	0	0	113.7	V523 R524 Q525	P521-V523 PolarHBondContact O-N 3.06Å; P521-R524 PolarHBondContact O-N 3.27Å; P521-R524 VanDerWaalsContact O-N 3.11Å; P521-Q525 PolarHBondContact O-N 3.06Å
522	F	29.4	Very low	29.6	Very low	136 Å²	136	132.8 Å²	132.8	60%	0.596	71%	0.71	S	S	*	*	H	α-helix	trans	-58.7	-30.4	179.5	-160.4	-106.2	0	0	0	113.6	L520 Q525 L526	L520-F522 PolarHBondContact O-N 3.33Å; F522-Q525 PolarHBondContact O-N 3.37Å; F522-L526 HydrophobicContact CD1-CD1 4.37Å; F522-L526 HydrophobicContact CE1-CD1 4.17Å
523	V	35.2	Very low	29.7	Very low	107 Å²	107	133.6 Å²	133.6	65%	0.648	71%	0.714	S	S	*	*	H	α-helix	trans	-75.1	-27	178.6	-176	0	0	0	0	112.1	L520 P521	L520-V523 PolarHBondContact O-N 3.11Å; P521-V523 PolarHBondContact O-N 3.06Å
524	R	30.9	Very low	29.9	Very low	231 Å²	231	137 Å²	137	87%	0.872	72%	0.718	S	S	*	*	H	α-helix	trans	-76.2	-28.1	173.5	-82.9	-174.4	174.4	179.2	-0.9	112.7	P521 L526 G527	P521-R524 PolarHBondContact O-N 3.27Å; P521-R524 VanDerWaalsContact O-N 3.11Å; R524-L526 VanDerWaalsContact C-N 3.33Å; R524-L526 PolarHBondContact O-N 3.41Å; R524-G527 PolarHBondContact O-N 3.02Å
525	Q	30.1	Very low	29.9	Very low	135 Å²	135	131.9 Å²	131.9	63%	0.631	70%	0.704	S	S	*	*	H	α-helix	trans	-77.7	-13.9	180	-73.3	-173.7	-8.1	0	0	114.3	P521 F522 G527 P528	P521-Q525 PolarHBondContact O-N 3.06Å; F522-Q525 PolarHBondContact O-N 3.37Å; Q525-G527 VanDerWaalsContact C-N 3.33Å; Q525-P528 WeakPolarHBondContact O-CD 3.48Å
526	L	29.3	Very low	30.3	Very low	79 Å²	79	130.6 Å²	130.6	41%	0.414	69%	0.692	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.4	-7	174.5	-70.2	169.7	0	0	0	113.6	F522 R524 P528 I529	F522-L526 HydrophobicContact CD1-CD1 4.37Å; F522-L526 HydrophobicContact CE1-CD1 4.17Å; R524-L526 VanDerWaalsContact C-N 3.33Å; R524-L526 PolarHBondContact O-N 3.41Å; L526-P528 VanDerWaalsContact C-N 3.32Å; L526-I529 HydrophobicContact CD2-CB 4.49Å; L526-I529 HydrophobicContact CD2-CD1 4.41Å; L526-I529 PolarHBondContact O-N 3.44Å
527	G	34.8	Very low	30.1	Very low	56 Å²	56	133.5 Å²	133.5	58%	0.577	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-36.3	175.6	0	0	0	0	0	115.1	R524 Q525	R524-G527 PolarHBondContact O-N 3.02Å; Q525-G527 VanDerWaalsContact C-N 3.33Å
528	P	34.5	Very low	30.3	Very low	112 Å²	112	132.7 Å²	132.7	73%	0.727	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-8.2	177.1	-3.1	23.2	0	0	0	114.9	Q525 L526	Q525-P528 WeakPolarHBondContact O-CD 3.48Å; L526-P528 VanDerWaalsContact C-N 3.32Å
529	I	30.5	Very low	30.1	Very low	124 Å²	124	130.1 Å²	130.1	64%	0.636	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-8.9	-174.8	-57.5	178.7	0	0	0	112.1	L526 P531	L526-I529 HydrophobicContact CD2-CB 4.49Å; L526-I529 HydrophobicContact CD2-CD1 4.41Å; L526-I529 PolarHBondContact O-N 3.44Å; I529-P531 WeakPolarHBondContact O-CD 3.35Å
530	L	29.9	Very low	30.2	Very low	111 Å²	111	128 Å²	128	58%	0.581	67%	0.666	S	S	*	*	S	Bend	trans	-82.3	105	163.9	-80.2	158	0	0	0	108.7
531	P	30.2	Very low	30	Very low	108 Å²	108	131.4 Å²	131.4	70%	0.701	67%	0.674	S	S	*	*			trans	-63.3	147.4	169	31.2	-32.1	0	0	0	106.9	I529	I529-P531 WeakPolarHBondContact O-CD 3.35Å
532	L	27.9	Very low	29.8	Very low	134 Å²	134	129 Å²	129	70%	0.702	66%	0.662	S	S	*	*			trans	94.3	48.1	177.9	-43.9	-176.9	0	0	0	116.5	F534	L532-F534 HydrophobicContact CB-CD2 3.95Å; L532-F534 HydrophobicContact CB-CE2 4.42Å; L532-F534 HydrophobicContact CD1-CD2 4.33Å; L532-F534 HydrophobicContact CD1-CE2 4.17Å; L532-F534 HydrophobicContact CD2-CD2 3.67Å; L532-F534 HydrophobicContact CD2-CE2 3.3Å; L532-F534 HydrophobicContact CD2-CZ 4.13Å; L532-F534 HydrophobicContact CG-CD2 4.17Å; L532-F534 HydrophobicContact CG-CE2 4.14Å; L532-F534 PolarHBondContact O-N 2.71Å
533	T	27.8	Very low	29.8	Very low	136 Å²	136	126.2 Å²	126.2	83%	0.834	66%	0.659	S	S	*	*			trans	-69.5	69.4	136.5	57.5	0	0	0	0	108.3	G535	T533-G535 VanDerWaalsContact C-N 3.32Å; T533-G535 PolarHBondContact O-N 3.29Å
534	F	28.2	Very low	29.5	Very low	168 Å²	168	127.2 Å²	127.2	74%	0.737	66%	0.659	S	S	*	*			trans	-61.3	104.7	162.6	-93.6	-70.5	0	0	0	105.7	L532 R536	L532-F534 HydrophobicContact CB-CD2 3.95Å; L532-F534 HydrophobicContact CB-CE2 4.42Å; L532-F534 HydrophobicContact CD1-CD2 4.33Å; L532-F534 HydrophobicContact CD1-CE2 4.17Å; L532-F534 HydrophobicContact CD2-CD2 3.67Å; L532-F534 HydrophobicContact CD2-CE2 3.3Å; L532-F534 HydrophobicContact CD2-CZ 4.13Å; L532-F534 HydrophobicContact CG-CD2 4.17Å; L532-F534 HydrophobicContact CG-CE2 4.14Å; L532-F534 PolarHBondContact O-N 2.71Å; F534-R536 PolarHBondContact O-N 3.44Å; F534-R536 VanDerWaalsContact O-N 3.12Å
535	G	27.1	Very low	29.5	Very low	60 Å²	60	121.7 Å²	121.7	62%	0.619	65%	0.648	S	S	*	*			trans	-45.3	125.7	171.7	0	0	0	0	0	108	T533 R537	T533-G535 VanDerWaalsContact C-N 3.32Å; T533-G535 PolarHBondContact O-N 3.29Å; G535-R537 PolarHBondContact O-N 3.43Å
536	R	31.8	Very low	29.4	Very low	160 Å²	160	121 Å²	121	60%	0.604	65%	0.649	S	S	*	*			trans	-54.6	75.2	-174.1	-70.6	176.8	173.1	-176.7	-4.3	111.2	E473 F534 R538	E473-R536 IonicContact OE1-NH1 2.62Å; F534-R536 PolarHBondContact O-N 3.44Å; F534-R536 VanDerWaalsContact O-N 3.12Å; R536-R538 PolarHBondContact O-N 3.48Å; R536-R538 VanDerWaalsContact O-N 3.12Å
537	R	25.4	Very low	29.5	Very low	234 Å²	234	123.5 Å²	123.5	88%	0.883	66%	0.663	S	S	*	*			trans	-73.7	105.4	169.8	-81.2	-168.4	-179.4	-169.6	1.9	106.4	G535 C539	G535-R537 PolarHBondContact O-N 3.43Å; R537-C539 VanDerWaalsContact C-N 3.34Å; R537-C539 PolarHBondContact O-N 3.25Å
538	R	31.3	Very low	29.1	Very low	183 Å²	183	127.7 Å²	127.7	69%	0.691	67%	0.668	S	S	*	*			trans	-56.4	88	176.6	-69.6	176.2	176.9	174.1	-1.7	110.6	R536	R536-R538 PolarHBondContact O-N 3.48Å; R536-R538 VanDerWaalsContact O-N 3.12Å
539	C	24.3	Very low	28.8	Very low	118 Å²	118	128.7 Å²	128.7	80%	0.797	66%	0.664	S	S	*	*			trans	-123.8	76.8	169	-83.1	0	0	0	0	110.1	R537	R537-C539 VanDerWaalsContact C-N 3.34Å; R537-C539 PolarHBondContact O-N 3.25Å
540	V	32.4	Very low	28.6	Very low	69 Å²	69	129.1 Å²	129.1	42%	0.418	67%	0.666	S	S	.	*			trans	-135	87.7	153	-172.5	0	0	0	0	108.5	W262 A542	W262-V540 HydrophobicContact CH2-CG1 3.9Å; W262-V540 HydrophobicContact CZ2-CG1 3.92Å; W262-V540 HydrophobicContact CZ2-CG2 4.17Å; V540-A542 VanDerWaalsContact C-N 3.31Å; V540-A542 HydrophobicContact CG1-CB 4.48Å
541	K	25.8	Very low	28.5	Very low	208 Å²	208	130.5 Å²	130.5	90%	0.904	67%	0.673	S	S	*	*			trans	-94.8	14.9	156.5	-96.5	-174.6	178.3	177.5	0	111.7
542	A	28.6	Very low	28.4	Very low	39 Å²	39	132.3 Å²	132.3	32%	0.322	67%	0.67	S	S	.	*			trans	-95.8	-9.6	-173.7	0	0	0	0	0	115.8	L165 V540	L165-A542 VanDerWaalsContact CD2-O 3.26Å; L165-A542 WeakPolarHBondContact CD2-O 3.48Å; V540-A542 VanDerWaalsContact C-N 3.31Å; V540-A542 HydrophobicContact CG1-CB 4.48Å
543	C	30.1	Very low	28.4	Very low	79 Å²	79	132.2 Å²	132.2	53%	0.534	67%	0.668	S	S	.	*			trans	-83.8	0	171.1	-80.8	0	0	0	0	112.7	K162 W262	K162-C543 WeakPolarHBondContact CD-OXT 3.35Å; K162-C543 PolarHBondContact NZ-O 3.06Å; K162-C543 PolarHBondContact NZ-OXT 2.86Å; W262-C543 WeakPolarHBondContact CH2-SG 3.28Å; W262-C543 WeakPolarHBondContact CZ3-SG 3.21Å

Retrieved 543 of 543 residues in 280.8 ms (Link to these results)

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