A0A087XLG5_POEFO Loading...

Sulfotransferase

AlphaFold DB (A0A3B3UKZ0), UniProt , Accession A0A087XLG5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 310 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	V	40.3	Very low	67.4	Low	197 Å²	197	130.1 Å²	130.1	100%	1.194	67%	0.669	S	S	*	*				0	92.5	0	-174.4	0	0	0	0	106.3	A3	V1-A3 PolarHBondContact O-N 3.24Å
2	M	42.4	Very low	69.6	Low	184 Å²	184	125.3 Å²	125.3	91%	0.906	64%	0.642	S	S	*	*			trans	-67.7	119	169.6	-78.2	177.4	34.1	0	0	105.9	E4	M2-E4 PolarHBondContact O-N 2.98Å
3	A	44.5	Very low	71.4	Confident	85 Å²	85	115.8 Å²	115.8	70%	0.702	59%	0.594	S	S	*	*			trans	-57	122.8	170.5	0	0	0	0	0	107	V1 E5	V1-A3 PolarHBondContact O-N 3.24Å; A3-E5 PolarHBondContact O-N 2.98Å
4	E	47.7	Very low	72.9	Confident	191 Å²	191	107.9 Å²	107.9	89%	0.893	55%	0.553	S	S	*	*			trans	-57.2	107.1	165.3	-76.8	175.4	159.1	0	0	106.3	M2 K6	M2-E4 PolarHBondContact O-N 2.98Å; E4-K6 PolarHBondContact O-N 3.05Å
5	E	56.3	Low	74.3	Confident	189 Å²	189	106.8 Å²	106.8	88%	0.883	54%	0.544	S	S	*	.			trans	-59.3	112.2	170.5	-80.4	-172.3	154.6	0	0	106.8	A3 E7	A3-E5 PolarHBondContact O-N 2.98Å; E5-E7 PolarHBondContact O-N 3.14Å
6	K	72.1	Confident	75.6	Confident	171 Å²	171	109.2 Å²	109.2	74%	0.743	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-54.5	117.2	176.7	-175.6	-173.9	176.9	-163.4	0	108.4	E4 L8	E4-K6 PolarHBondContact O-N 3.05Å; K6-L8 PolarHBondContact O-N 3.05Å
7	E	82.2	Confident	76.7	Confident	143 Å²	143	102.9 Å²	102.9	67%	0.668	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-60.3	124.8	177.2	-167	171.3	-164.5	0	0	109.1	E5 K113	E5-E7 PolarHBondContact O-N 3.14Å; E7-K113 IonicContact OE1-NZ 2.8Å; E7-K113 PolarHBondContact OE1-NZ 3.01Å
8	L	87.4	Confident	77.7	Confident	72 Å²	72	100 Å²	100	38%	0.377	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-68.3	135.5	-179.8	-63	173.9	0	0	0	109.3	K6 E12 A13 K16 P103	K6-L8 PolarHBondContact O-N 3.05Å; L8-E12 HydrophobicContact CB-CB 4.29Å; L8-E12 HydrophobicContact CD2-CB 4.24Å; L8-A13 HydrophobicContact CB-CB 4.27Å; L8-K16 HydrophobicContact CD1-CD 3.98Å; L8-P103 HydrophobicContact CD1-CB 4.29Å; L8-P103 HydrophobicContact CD1-CG 3.89Å
9	S	89.7	Confident	78.5	Confident	55 Å²	55	100.5 Å²	100.5	39%	0.385	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-61.3	157	164.8	67.7	0	0	0	0	110.3	K11 E12 A13	S9-K11 PolarHBondContact O-N 3.32Å; S9-K11 VanDerWaalsContact O-N 3.14Å; S9-E12 WeakPolarHBondContact CB-OE2 3.46Å; S9-E12 PolarHBondContact N-OE2 2.92Å; S9-E12 PolarHBondContact O-N 3.23Å; S9-E12 VanDerWaalsContact O-N 3.1Å; S9-E12 WeakPolarHBondContact OG-CB 3.49Å; S9-E12 VanDerWaalsContact OG-CD 3.23Å; S9-E12 WeakPolarHBondContact OG-CG 3.42Å; S9-E12 PolarHBondContact OG-N 3.35Å; S9-E12 PolarHBondContact OG-OE2 3.1Å; S9-A13 WeakPolarHBondContact O-CB 3.38Å; S9-A13 PolarHBondContact O-N 2.86Å
10	Y	87.6	Confident	79.3	Confident	44 Å²	44	98.4 Å²	98.4	17%	0.173	52%	0.517	C	S	.	.	H	α-helix	trans	-55.1	-36.3	179.1	-164.8	-102	0	0	0	112.5	I14 P90 V91 I104 P105 L110 I258	Y10-I14 HydrophobicContact CD1-CD1 3.76Å; Y10-I14 HydrophobicContact CE1-CD1 3.58Å; Y10-I14 WeakPolarHBondContact O-CG1 3.24Å; Y10-I14 PolarHBondContact O-N 2.64Å; Y10-P90 HydrophobicContact CE1-CB 4.33Å; Y10-V91 HydrophobicContact CG-CG2 4.4Å; Y10-I104 HydrophobicContact CE2-CG2 4.09Å; Y10-P105 HydrophobicContact CD2-CG 3.67Å; Y10-P105 HydrophobicContact CE2-CG 3.85Å; Y10-L110 HydrophobicContact CE2-CD1 4.47Å; Y10-I258 HydrophobicContact CD1-CD1 3.94Å; Y10-I258 HydrophobicContact CE1-CD1 3.56Å
11	K	91.4	Very high	80.1	Confident	100 Å²	100	94.6 Å²	94.6	44%	0.435	50%	0.497	S	S	.	.	H	α-helix	trans	-67.9	-49.9	176.2	-175.4	179.2	170.8	-179.6	0	111.9	S9 A13 I14 E15 P259	S9-K11 PolarHBondContact O-N 3.32Å; S9-K11 VanDerWaalsContact O-N 3.14Å; K11-A13 VanDerWaalsContact C-N 3.26Å; K11-A13 PolarHBondContact O-N 3.29Å; K11-I14 PolarHBondContact O-N 3.39Å; K11-I14 VanDerWaalsContact O-N 3.15Å; K11-E15 WeakPolarHBondContact CE-OE1 3.16Å; K11-E15 IonicContact NZ-OE1 3.68Å; K11-E15 WeakPolarHBondContact O-CG 3.19Å; K11-E15 PolarHBondContact O-N 3.4Å; K11-P259 HydrophobicContact CG-CG 3.8Å
12	E	93.5	Very high	82.7	Confident	73 Å²	73	89 Å²	89	34%	0.341	46%	0.463	S	S	.	.	H	α-helix	trans	-60.5	-37.7	178.2	-72	162.9	138.7	0	0	111.4	L8 S9 I14 E15 K16	L8-E12 HydrophobicContact CB-CB 4.29Å; L8-E12 HydrophobicContact CD2-CB 4.24Å; S9-E12 WeakPolarHBondContact CB-OE2 3.46Å; S9-E12 PolarHBondContact N-OE2 2.92Å; S9-E12 PolarHBondContact O-N 3.23Å; S9-E12 VanDerWaalsContact O-N 3.1Å; S9-E12 WeakPolarHBondContact OG-CB 3.49Å; S9-E12 VanDerWaalsContact OG-CD 3.23Å; S9-E12 WeakPolarHBondContact OG-CG 3.42Å; S9-E12 PolarHBondContact OG-N 3.35Å; S9-E12 PolarHBondContact OG-OE2 3.1Å; E12-I14 PolarHBondContact O-N 3.19Å; E12-E15 PolarHBondContact O-N 2.89Å; E12-K16 WeakPolarHBondContact O-CB 3.33Å; E12-K16 PolarHBondContact O-N 2.83Å
13	A	93.1	Very high	85.2	Confident	2 Å²	2	82.5 Å²	82.5	2%	0.017	43%	0.429	C	S	.	.	H	α-helix	trans	-62.4	-41.5	175.9	0	0	0	0	0	112.1	L8 S9 K11 A17 P103	L8-A13 HydrophobicContact CB-CB 4.27Å; S9-A13 WeakPolarHBondContact O-CB 3.38Å; S9-A13 PolarHBondContact O-N 2.86Å; K11-A13 VanDerWaalsContact C-N 3.26Å; K11-A13 PolarHBondContact O-N 3.29Å; A13-A17 WeakPolarHBondContact O-CB 3.28Å; A13-A17 PolarHBondContact O-N 3.35Å; A13-P103 HydrophobicContact CB-CG 4.44Å
14	I	92.9	Very high	87.7	Confident	4 Å²	4	78.8 Å²	78.8	2%	0.021	40%	0.397	C	S	.	.	H	α-helix	trans	-67.4	-44.3	175.5	-66.1	164.5	0	0	0	111.4	Y10 K11 E12 K16 A17 S18 I104 I258 P259 V262	Y10-I14 HydrophobicContact CD1-CD1 3.76Å; Y10-I14 HydrophobicContact CE1-CD1 3.58Å; Y10-I14 WeakPolarHBondContact O-CG1 3.24Å; Y10-I14 PolarHBondContact O-N 2.64Å; K11-I14 PolarHBondContact O-N 3.39Å; K11-I14 VanDerWaalsContact O-N 3.15Å; E12-I14 PolarHBondContact O-N 3.19Å; I14-K16 VanDerWaalsContact C-N 3.26Å; I14-K16 PolarHBondContact O-N 3.02Å; I14-A17 CarbonylContact O-C 3.51Å; I14-A17 PolarHBondContact O-N 2.95Å; I14-A17 VanDerWaalsContact O-N 3.12Å; I14-S18 PolarHBondContact O-N 3.42Å; I14-I104 HydrophobicContact CB-CD1 4.34Å; I14-I104 HydrophobicContact CB-CG1 4.41Å; I14-I104 HydrophobicContact CG1-CD1 3.84Å; I14-I104 HydrophobicContact CG1-CG1 3.85Å; I14-I104 HydrophobicContact CG1-CG2 4.29Å; I14-I258 HydrophobicContact CD1-CD1 3.86Å; I14-I258 HydrophobicContact CD1-CG2 4.35Å; I14-P259 HydrophobicContact CB-CG 3.97Å; I14-P259 HydrophobicContact CG2-CB 4.05Å; I14-P259 HydrophobicContact CG2-CG 3.77Å; I14-V262 HydrophobicContact CG2-CB 4.35Å; I14-V262 HydrophobicContact CG2-CG2 3.48Å; I14-V262 VanDerWaalsContact CG2-CG2 3.48Å
15	E	93.9	Very high	90.1	Very high	92 Å²	92	73.6 Å²	73.6	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-59.6	-41	178.2	-71.3	174.1	171.7	0	0	111.1	K11 E12 A17 S18 P259	K11-E15 WeakPolarHBondContact CE-OE1 3.16Å; K11-E15 IonicContact NZ-OE1 3.68Å; K11-E15 WeakPolarHBondContact O-CG 3.19Å; K11-E15 PolarHBondContact O-N 3.4Å; E12-E15 PolarHBondContact O-N 2.89Å; E15-A17 PolarHBondContact O-N 3.2Å; E15-S18 WeakPolarHBondContact O-CB 3.37Å; E15-S18 PolarHBondContact O-N 3.33Å; E15-S18 PolarHBondContact O-OG 3.49Å; E15-P259 HydrophobicContact CG-CB 4.11Å; E15-P259 HydrophobicContact CG-CG 3.7Å
16	K	95.2	Very high	92.1	Very high	145 Å²	145	66.9 Å²	66.9	63%	0.63	35%	0.349	S	S	*	.	H	α-helix	trans	-67.8	-31.4	175.8	-171.4	166.3	173.7	-175	0	113.4	L8 E12 I14 S18 P103	L8-K16 HydrophobicContact CD1-CD 3.98Å; E12-K16 WeakPolarHBondContact O-CB 3.33Å; E12-K16 PolarHBondContact O-N 2.83Å; I14-K16 VanDerWaalsContact C-N 3.26Å; I14-K16 PolarHBondContact O-N 3.02Å; K16-S18 VanDerWaalsContact C-N 3.34Å; K16-P103 HydrophobicContact CB-CG 4.15Å; K16-P103 HydrophobicContact CD-CG 4.01Å; K16-P103 HydrophobicContact CG-CG 4.11Å
17	A	94.5	Very high	93.3	Very high	2 Å²	2	62 Å²	62	2%	0.017	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1.1	175.6	0	0	0	0	0	114.1	A13 I14 E15 S19 S20 I21 I104	A13-A17 WeakPolarHBondContact O-CB 3.28Å; A13-A17 PolarHBondContact O-N 3.35Å; I14-A17 CarbonylContact O-C 3.51Å; I14-A17 PolarHBondContact O-N 2.95Å; I14-A17 VanDerWaalsContact O-N 3.12Å; E15-A17 PolarHBondContact O-N 3.2Å; A17-S19 VanDerWaalsContact C-N 3.28Å; A17-S19 PolarHBondContact O-N 3.39Å; A17-S19 VanDerWaalsContact O-N 3.11Å; A17-S20 WeakPolarHBondContact O-CA 3.49Å; A17-S20 WeakPolarHBondContact O-CB 3.44Å; A17-S20 PolarHBondContact O-N 3.43Å; A17-I21 PolarHBondContact O-N 3Å; A17-I104 HydrophobicContact CB-CD1 3.66Å; A17-I104 HydrophobicContact CB-CG1 3.77Å
18	S	93.5	Very high	94.1	Very high	51 Å²	51	61 Å²	61	36%	0.357	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-52.3	-39.1	-168.8	53.9	0	0	0	0	114.8	I14 E15 K16 S20 I21	I14-S18 PolarHBondContact O-N 3.42Å; E15-S18 WeakPolarHBondContact O-CB 3.37Å; E15-S18 PolarHBondContact O-N 3.33Å; E15-S18 PolarHBondContact O-OG 3.49Å; K16-S18 VanDerWaalsContact C-N 3.34Å; S18-S20 PolarHBondContact O-N 2.63Å; S18-I21 PolarHBondContact O-N 3.37Å
19	S	93.8	Very high	94.6	Very high	109 Å²	109	58.8 Å²	58.8	76%	0.762	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-68.5	-19	177.7	59.9	0	0	0	0	114.2	A17	A17-S19 VanDerWaalsContact C-N 3.28Å; A17-S19 PolarHBondContact O-N 3.39Å; A17-S19 VanDerWaalsContact O-N 3.11Å
20	S	94.9	Very high	95	Very high	58 Å²	58	63.5 Å²	63.5	41%	0.406	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-94.9	-7.7	177.4	-57.2	0	0	0	0	112.6	A17 S18 T22	A17-S20 WeakPolarHBondContact O-CA 3.49Å; A17-S20 WeakPolarHBondContact O-CB 3.44Å; A17-S20 PolarHBondContact O-N 3.43Å; S18-S20 PolarHBondContact O-N 2.63Å; S20-T22 PolarHBondContact O-N 3.38Å
21	I	94.6	Very high	95.4	Very high	19 Å²	19	64.3 Å²	64.3	10%	0.097	35%	0.345	C	S	.	.			trans	-78.7	118.7	176.2	-55.9	-58.4	0	0	0	109.3	A17 S18 F24 P101 I104 T163 P261 V262	A17-I21 PolarHBondContact O-N 3Å; S18-I21 PolarHBondContact O-N 3.37Å; I21-F24 HydrophobicContact CD1-CZ 4.37Å; I21-P101 HydrophobicContact CD1-CG 4.38Å; I21-I104 HydrophobicContact CD1-CD1 3.86Å; I21-T163 HydrophobicContact CG2-CG2 3.9Å; I21-P261 WeakPolarHBondContact CG2-O 3.43Å; I21-V262 HydrophobicContact CD1-CG2 3.89Å; I21-V262 HydrophobicContact CG1-CG2 3.87Å; I21-V262 HydrophobicContact CG2-CG2 4.03Å
22	T	94.7	Very high	95.8	Very high	79 Å²	79	60.1 Å²	60.1	49%	0.485	33%	0.328	S	S	.	.			trans	-139.6	171.4	176.8	59.4	0	0	0	0	108.5	S20 F24 K162 T163	S20-T22 PolarHBondContact O-N 3.38Å; T22-F24 VanDerWaalsContact O-CD1 3.27Å; T22-F24 WeakPolarHBondContact O-CD1 3.13Å; T22-F24 WeakPolarHBondContact O-CE1 3.27Å; T22-F24 PolarHBondContact O-N 3.23Å; T22-F24 VanDerWaalsContact O-N 3.13Å; T22-K162 CarbonylContact C-O 3.55Å; T22-T163 WeakPolarHBondContact O-CA 3.4Å
23	R	96.4	Very high	96	Very high	49 Å²	49	56.8 Å²	56.8	19%	0.185	31%	0.313	C	S	.	.			trans	-72.2	106.9	169.4	-68.7	-164.7	175.7	-91.4	20.7	109.2	D158 N161 K162 Q164 P165 E166	R23-D158 PolarHBondContact NH1-O 3.36Å; R23-D158 PolarHBondContact NH2-O 3.26Å; R23-D158 VanDerWaalsContact NH2-O 3.16Å; R23-N161 PolarHBondContact NH1-O 3.39Å; R23-K162 VanDerWaalsContact CA-O 3.27Å; R23-K162 WeakPolarHBondContact CA-O 3.43Å; R23-K162 VanDerWaalsContact CG-O 3.24Å; R23-K162 WeakPolarHBondContact CG-O 3.45Å; R23-K162 PolarHBondContact N-O 2.94Å; R23-K162 VanDerWaalsContact N-O 3.11Å; R23-Q164 WeakPolarHBondContact CB-O 3.39Å; R23-Q164 WeakPolarHBondContact CD-O 3.42Å; R23-Q164 WeakPolarHBondContact CG-O 3.43Å; R23-Q164 PolarHBondContact NH1-O 3.31Å; R23-P165 PolarHBondContact NH1-O 3.33Å; R23-E166 WeakPolarHBondContact CD-OE1 3.18Å; R23-E166 IonicContact CZ-OE1 3.01Å; R23-E166 IonicContact CZ-OE2 3.48Å; R23-E166 VanDerWaalsContact CZ-OE2 3.31Å; R23-E166 IonicContact NE-OE1 3.46Å; R23-E166 PolarHBondContact NE-OE1 3.37Å; R23-E166 IonicContact NE-OE2 3.99Å; R23-E166 PolarHBondContact NE-OE2 3.11Å; R23-E166 VanDerWaalsContact NE-OE2 3.15Å; R23-E166 IonicContact NH2-OE1 3.36Å; R23-E166 IonicContact NH2-OE2 2.7Å; R23-E166 PolarHBondContact NH2-OE2 2.86Å
24	F	96.7	Very high	96.3	Very high	6 Å²	6	56.7 Å²	56.7	3%	0.026	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-75.2	131.5	-171.4	-57.2	-44.3	0	0	0	110.6	I21 T22 M35 H37 P101 T163	I21-F24 HydrophobicContact CD1-CZ 4.37Å; T22-F24 VanDerWaalsContact O-CD1 3.27Å; T22-F24 WeakPolarHBondContact O-CD1 3.13Å; T22-F24 WeakPolarHBondContact O-CE1 3.27Å; T22-F24 PolarHBondContact O-N 3.23Å; T22-F24 VanDerWaalsContact O-N 3.13Å; F24-M35 HydrophobicContact CB-CB 4.35Å; F24-M35 HydrophobicContact CD2-SD 4.33Å; F24-H37 AromaticContact CD1-CD2 3.63Å; F24-H37 AromaticContact CD1-NE2 3.71Å; F24-H37 AromaticContact CD2-CD2 3.87Å; F24-H37 AromaticContact CE1-CD2 3.6Å; F24-H37 AromaticContact CE1-NE2 3.43Å; F24-H37 WeakPolarHBondContact CE1-NE2 3.35Å; F24-H37 AromaticContact CE2-CD2 3.84Å; F24-H37 AromaticContact CG-CD2 3.78Å; F24-H37 AromaticContact CZ-CD2 3.72Å; F24-H37 AromaticContact CZ-NE2 3.83Å; F24-P101 HydrophobicContact CE1-CG 4.25Å; F24-P101 HydrophobicContact CZ-CG 3.92Å; F24-T163 WeakPolarHBondContact CB-O 3.24Å; F24-T163 HydrophobicContact CD2-CG2 4.21Å; F24-T163 WeakPolarHBondContact CD2-O 3.29Å; F24-T163 HydrophobicContact CE2-CG2 3.57Å; F24-T163 HydrophobicContact CZ-CG2 4.22Å; F24-T163 PolarHBondContact N-O 3.35Å
25	P	97.1	Very high	96.5	Very high	83 Å²	83	56.8 Å²	56.8	54%	0.539	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-65.1	156.6	174.8	27.5	-34.1	0	0	0	110.9	C36	P25-C36 HydrophobicContact CG-CB 4.12Å; P25-C36 WeakPolarHBondContact O-CB 3.31Å; P25-C36 PolarHBondContact O-N 2.67Å
26	L	98.3	Very high	96.7	Very high	47 Å²	47	53.1 Å²	53.1	25%	0.246	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	137.5	176.1	-54.3	-178.7	0	0	0	110.7	P33 L34 M35 P165 E181 P183	L26-P33 HydrophobicContact CB-CB 4.12Å; L26-P33 HydrophobicContact CD1-CB 3.95Å; L26-L34 CarbonylContact C-O 3.57Å; L26-L34 VanDerWaalsContact CA-O 3.29Å; L26-L34 WeakPolarHBondContact CA-O 3.22Å; L26-M35 HydrophobicContact CD2-CG 4.29Å; L26-P165 HydrophobicContact CD1-CG 3.97Å; L26-P165 HydrophobicContact CD2-CG 3.68Å; L26-P165 HydrophobicContact CG-CG 3.62Å; L26-E181 WeakPolarHBondContact CD1-O 3.41Å; L26-P183 HydrophobicContact CD1-CG 4.43Å; L26-P183 HydrophobicContact CD2-CB 3.92Å; L26-P183 HydrophobicContact CD2-CG 3.96Å
27	I	98.4	Very high	96.8	Very high	68 Å²	68	48.5 Å²	48.5	35%	0.349	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.5	172.5	-61	178.1	0	0	0	107.2	L34 C36 A39	I27-L34 PolarHBondContact N-O 2.83Å; I27-L34 PolarHBondContact O-N 3.37Å; I27-C36 HydrophobicContact CD1-CB 3.65Å; I27-C36 HydrophobicContact CG1-CB 4.07Å; I27-A39 HydrophobicContact CB-CB 3.6Å; I27-A39 HydrophobicContact CD1-CB 4.31Å; I27-A39 HydrophobicContact CG1-CB 4.44Å; I27-A39 HydrophobicContact CG2-CB 3.82Å
28	H	98.4	Very high	97	Very high	124 Å²	124	48.4 Å²	48.4	57%	0.574	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.6	-178.3	-72.3	69.5	0	0	0	110.7	V32	H28-V32 WeakPolarHBondContact CA-O 3.4Å
29	I	98.4	Very high	97.2	Very high	25 Å²	25	46.4 Å²	46.4	13%	0.128	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.2	169.7	-63.1	-58.8	0	0	0	107.8	G31 V32 L34 A39 W42	I29-G31 PolarHBondContact O-N 2.86Å; I29-G31 VanDerWaalsContact O-N 3.15Å; I29-V32 PolarHBondContact N-O 3.48Å; I29-V32 PolarHBondContact O-N 3.49Å; I29-L34 HydrophobicContact CB-CD1 3.98Å; I29-L34 HydrophobicContact CG1-CD1 3.99Å; I29-A39 HydrophobicContact CD1-CB 3.94Å; I29-A39 HydrophobicContact CG1-CB 3.85Å; I29-W42 HydrophobicContact CB-CD2 4.48Å; I29-W42 HydrophobicContact CD1-CB 4.17Å; I29-W42 HydrophobicContact CD1-CG 4.21Å; I29-W42 HydrophobicContact CG1-CB 4.46Å; I29-W42 HydrophobicContact CG1-CD2 4.38Å; I29-W42 HydrophobicContact CG1-CG 4.26Å; I29-W42 HydrophobicContact CG2-CD2 3.57Å; I29-W42 VanDerWaalsContact CG2-CE2 3.41Å; I29-W42 HydrophobicContact CG2-CE3 4.23Å; I29-W42 HydrophobicContact CG2-CG 3.76Å; I29-W42 HydrophobicContact CG2-CZ2 3.98Å
30	R	97.3	Very high	97.4	Very high	153 Å²	153	46.6 Å²	46.6	58%	0.577	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	42.2	-178.7	-56.7	-178.9	-178	165.8	4.3	112.6	V32 W46 L128	R30-V32 VanDerWaalsContact C-N 3.34Å; R30-V32 PolarHBondContact O-N 3.01Å; R30-W46 VanDerWaalsContact NH1-CH2 3.31Å; R30-L128 HydrophobicContact CB-CD2 4.13Å; R30-L128 HydrophobicContact CG-CD2 4.45Å
31	G	97.3	Very high	97.6	Very high	61 Å²	61	47.2 Å²	47.2	63%	0.629	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-2.8	179.8	0	0	0	0	0	115.7	I29	I29-G31 PolarHBondContact O-N 2.86Å; I29-G31 VanDerWaalsContact O-N 3.15Å
32	V	98.6	Very high	97.8	Very high	13 Å²	13	47 Å²	47	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.5	177.9	-178.5	0	0	0	0	109.9	H28 I29 R30 L34 P125 L128	H28-V32 WeakPolarHBondContact CA-O 3.4Å; I29-V32 PolarHBondContact N-O 3.48Å; I29-V32 PolarHBondContact O-N 3.49Å; R30-V32 VanDerWaalsContact C-N 3.34Å; R30-V32 PolarHBondContact O-N 3.01Å; V32-L34 HydrophobicContact CG1-CD2 4.12Å; V32-L34 HydrophobicContact CG1-CG 4.42Å; V32-L34 PolarHBondContact O-N 2.98Å; V32-P125 HydrophobicContact CG1-CG 4.1Å; V32-P125 HydrophobicContact CG2-CG 3.88Å; V32-L128 HydrophobicContact CB-CD1 3.63Å; V32-L128 HydrophobicContact CG1-CD1 4.11Å; V32-L128 HydrophobicContact CG2-CD1 3.55Å; V32-L128 HydrophobicContact CG2-CG 4.34Å
33	P	98.5	Very high	97.9	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.019	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	121.8	176.6	29.7	-35.7	0	0	0	110.9	L26 L182 P183 W184	L26-P33 HydrophobicContact CB-CB 4.12Å; L26-P33 HydrophobicContact CD1-CB 3.95Å; P33-L182 WeakPolarHBondContact CG-O 3.19Å; P33-P183 CarbonylContact O-C 3.57Å; P33-P183 WeakPolarHBondContact O-CA 3.5Å; P33-W184 PolarHBondContact O-N 3.18Å
34	L	98.5	Very high	98	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	152.3	176.7	-61.7	178.1	0	0	0	110	L26 I27 I29 V32 I38 W42 L124 W184	L26-L34 CarbonylContact C-O 3.57Å; L26-L34 VanDerWaalsContact CA-O 3.29Å; L26-L34 WeakPolarHBondContact CA-O 3.22Å; I27-L34 PolarHBondContact N-O 2.83Å; I27-L34 PolarHBondContact O-N 3.37Å; I29-L34 HydrophobicContact CB-CD1 3.98Å; I29-L34 HydrophobicContact CG1-CD1 3.99Å; V32-L34 HydrophobicContact CG1-CD2 4.12Å; V32-L34 HydrophobicContact CG1-CG 4.42Å; V32-L34 PolarHBondContact O-N 2.98Å; L34-I38 HydrophobicContact CB-CB 4.38Å; L34-I38 HydrophobicContact CB-CG2 4.3Å; L34-I38 HydrophobicContact CD1-CG2 4.03Å; L34-W42 HydrophobicContact CD1-CE3 3.93Å; L34-W42 HydrophobicContact CD1-CZ3 3.79Å; L34-L124 HydrophobicContact CD1-CD2 4.34Å; L34-L124 HydrophobicContact CD2-CD2 4.35Å; L34-W184 HydrophobicContact CD2-CG 4.23Å
35	M	97.7	Very high	98.1	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.025	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	141.7	174	-64.9	-176.3	-65.1	0	0	110.4	F24 L26 H37 I38 A39 I98 W184	F24-M35 HydrophobicContact CB-CB 4.35Å; F24-M35 HydrophobicContact CD2-SD 4.33Å; L26-M35 HydrophobicContact CD2-CG 4.29Å; M35-H37 VanDerWaalsContact C-N 3.27Å; M35-H37 PolarHBondContact O-N 3.4Å; M35-H37 VanDerWaalsContact O-N 3.13Å; M35-I38 HydrophobicContact CB-CD1 4.31Å; M35-I38 HydrophobicContact CB-CG1 4.28Å; M35-I38 HydrophobicContact CE-CD1 3.59Å; M35-I38 HydrophobicContact CE-CG1 4.27Å; M35-I38 WeakPolarHBondContact O-CA 3.37Å; M35-I38 WeakPolarHBondContact O-CB 3.19Å; M35-I38 PolarHBondContact O-N 3.33Å; M35-A39 PolarHBondContact O-N 3.15Å; M35-I98 HydrophobicContact CE-CD1 3.71Å; M35-W184 HydrophobicContact CE-CH2 4.1Å; M35-W184 HydrophobicContact CE-CZ2 4.34Å
36	C	97.7	Very high	98.1	Very high	15 Å²	15	48.9 Å²	48.9	10%	0.101	26%	0.26	C	S	.	.	H	α-helix	trans	-55.3	-37.4	-171.3	65.4	0	0	0	0	114.1	P25 I27 I38 A39 N40	P25-C36 HydrophobicContact CG-CB 4.12Å; P25-C36 WeakPolarHBondContact O-CB 3.31Å; P25-C36 PolarHBondContact O-N 2.67Å; I27-C36 HydrophobicContact CD1-CB 3.65Å; I27-C36 HydrophobicContact CG1-CB 4.07Å; C36-I38 VanDerWaalsContact C-N 3.3Å; C36-I38 PolarHBondContact O-N 2.83Å; C36-A39 PolarHBondContact O-N 3.2Å; C36-N40 VanDerWaalsContact O-CB 3.26Å; C36-N40 WeakPolarHBondContact O-CB 3.24Å; C36-N40 PolarHBondContact O-N 3.4Å; C36-N40 PolarHBondContact O-ND2 2.88Å; C36-N40 PolarHBondContact O-OD1 3.34Å
37	H	97.7	Very high	98.1	Very high	48 Å²	48	49.4 Å²	49.4	22%	0.222	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-34.3	176.6	-72.1	-74.6	0	0	0	112.8	F24 M35 N41 C99	F24-H37 AromaticContact CD1-CD2 3.63Å; F24-H37 AromaticContact CD1-NE2 3.71Å; F24-H37 AromaticContact CD2-CD2 3.87Å; F24-H37 AromaticContact CE1-CD2 3.6Å; F24-H37 AromaticContact CE1-NE2 3.43Å; F24-H37 WeakPolarHBondContact CE1-NE2 3.35Å; F24-H37 AromaticContact CE2-CD2 3.84Å; F24-H37 AromaticContact CG-CD2 3.78Å; F24-H37 AromaticContact CZ-CD2 3.72Å; F24-H37 AromaticContact CZ-NE2 3.83Å; M35-H37 VanDerWaalsContact C-N 3.27Å; M35-H37 PolarHBondContact O-N 3.4Å; M35-H37 VanDerWaalsContact O-N 3.13Å; H37-N41 PolarHBondContact O-ND2 2.94Å; H37-C99 HydrophobicContact CB-CB 4.11Å; H37-C99 WeakPolarHBondContact CB-O 3.35Å; H37-C99 VanDerWaalsContact O-CB 3.27Å; H37-C99 WeakPolarHBondContact O-CB 3.34Å
38	I	98.2	Very high	98.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68.9	-50.8	173.5	-56.7	-175.8	0	0	0	109.2	L34 M35 C36 N40 N41 W42 I45 E97 I98 W184	L34-I38 HydrophobicContact CB-CB 4.38Å; L34-I38 HydrophobicContact CB-CG2 4.3Å; L34-I38 HydrophobicContact CD1-CG2 4.03Å; M35-I38 HydrophobicContact CB-CD1 4.31Å; M35-I38 HydrophobicContact CB-CG1 4.28Å; M35-I38 HydrophobicContact CE-CD1 3.59Å; M35-I38 HydrophobicContact CE-CG1 4.27Å; M35-I38 WeakPolarHBondContact O-CA 3.37Å; M35-I38 WeakPolarHBondContact O-CB 3.19Å; M35-I38 PolarHBondContact O-N 3.33Å; C36-I38 VanDerWaalsContact C-N 3.3Å; C36-I38 PolarHBondContact O-N 2.83Å; I38-N40 VanDerWaalsContact C-N 3.33Å; I38-N40 PolarHBondContact O-N 3.49Å; I38-N41 CarbonylContact O-C 3.58Å; I38-N41 PolarHBondContact O-N 2.93Å; I38-N41 VanDerWaalsContact O-N 3.1Å; I38-W42 PolarHBondContact O-N 3.29Å; I38-W42 VanDerWaalsContact O-N 3.15Å; I38-I45 HydrophobicContact CG2-CD1 3.79Å; I38-E97 HydrophobicContact CD1-CG 4.05Å; I38-E97 WeakPolarHBondContact CG1-O 3.19Å; I38-E97 HydrophobicContact CG2-CB 3.99Å; I38-E97 HydrophobicContact CG2-CG 4.24Å; I38-I98 HydrophobicContact CD1-CD1 4.44Å; I38-W184 HydrophobicContact CD1-CZ2 4.22Å
39	A	98.3	Very high	98	Very high	10 Å²	10	48.2 Å²	48.2	8%	0.083	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-40.3	-178	0	0	0	0	0	112.8	I27 I29 M35 C36 N41 W42	I27-A39 HydrophobicContact CB-CB 3.6Å; I27-A39 HydrophobicContact CD1-CB 4.31Å; I27-A39 HydrophobicContact CG1-CB 4.44Å; I27-A39 HydrophobicContact CG2-CB 3.82Å; I29-A39 HydrophobicContact CD1-CB 3.94Å; I29-A39 HydrophobicContact CG1-CB 3.85Å; M35-A39 PolarHBondContact O-N 3.15Å; C36-A39 PolarHBondContact O-N 3.2Å; A39-N41 PolarHBondContact O-N 3.04Å; A39-W42 WeakPolarHBondContact O-CB 3.49Å; A39-W42 PolarHBondContact O-N 2.89Å
40	N	98	Very high	98	Very high	113 Å²	113	47.3 Å²	47.3	60%	0.604	25%	0.254	S	S	*	.	H	α-helix	trans	-68.3	-19.3	178.6	-68.7	-13.1	0	0	0	113.2	C36 I38	C36-N40 VanDerWaalsContact O-CB 3.26Å; C36-N40 WeakPolarHBondContact O-CB 3.24Å; C36-N40 PolarHBondContact O-N 3.4Å; C36-N40 PolarHBondContact O-ND2 2.88Å; C36-N40 PolarHBondContact O-OD1 3.34Å; I38-N40 VanDerWaalsContact C-N 3.33Å; I38-N40 PolarHBondContact O-N 3.49Å
41	N	98.2	Very high	98.1	Very high	71 Å²	71	42.9 Å²	42.9	38%	0.38	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	16.9	177.4	-69.2	-82.4	0	0	0	112.1	H37 I38 A39 D43 S44 I45 C99	H37-N41 PolarHBondContact O-ND2 2.94Å; I38-N41 CarbonylContact O-C 3.58Å; I38-N41 PolarHBondContact O-N 2.93Å; I38-N41 VanDerWaalsContact O-N 3.1Å; A39-N41 PolarHBondContact O-N 3.04Å; N41-D43 VanDerWaalsContact C-N 3.31Å; N41-D43 PolarHBondContact O-N 3.28Å; N41-S44 PolarHBondContact O-N 2.95Å; N41-I45 WeakPolarHBondContact O-CG1 2.97Å; N41-I45 PolarHBondContact O-N 3.33Å; N41-C99 HydrophobicContact CB-CB 4.46Å
42	W	98.6	Very high	98.1	Very high	15 Å²	15	43.6 Å²	43.6	6%	0.057	24%	0.235	C	C	.	.	H	α-helix	trans	-58.5	-39.7	-170.7	-177.4	-107.6	0	0	0	113.6	I29 L34 I38 A39 S44 I45 W46 L124 L128	I29-W42 HydrophobicContact CB-CD2 4.48Å; I29-W42 HydrophobicContact CD1-CB 4.17Å; I29-W42 HydrophobicContact CD1-CG 4.21Å; I29-W42 HydrophobicContact CG1-CB 4.46Å; I29-W42 HydrophobicContact CG1-CD2 4.38Å; I29-W42 HydrophobicContact CG1-CG 4.26Å; I29-W42 HydrophobicContact CG2-CD2 3.57Å; I29-W42 VanDerWaalsContact CG2-CE2 3.41Å; I29-W42 HydrophobicContact CG2-CE3 4.23Å; I29-W42 HydrophobicContact CG2-CG 3.76Å; I29-W42 HydrophobicContact CG2-CZ2 3.98Å; L34-W42 HydrophobicContact CD1-CE3 3.93Å; L34-W42 HydrophobicContact CD1-CZ3 3.79Å; I38-W42 PolarHBondContact O-N 3.29Å; I38-W42 VanDerWaalsContact O-N 3.15Å; A39-W42 WeakPolarHBondContact O-CB 3.49Å; A39-W42 PolarHBondContact O-N 2.89Å; W42-S44 VanDerWaalsContact C-N 3.33Å; W42-S44 PolarHBondContact O-N 2.97Å; W42-I45 HydrophobicContact CE3-CB 4.4Å; W42-I45 HydrophobicContact CE3-CD1 4.38Å; W42-I45 HydrophobicContact CE3-CG2 4.41Å; W42-I45 HydrophobicContact CZ3-CG2 4.09Å; W42-I45 PolarHBondContact O-N 3.44Å; W42-I45 VanDerWaalsContact O-N 3.16Å; W42-W46 HydrophobicContact CZ2-CB 4.49Å; W42-W46 HydrophobicContact CZ2-CD2 4.47Å; W42-W46 AromaticContact CZ2-CE3 3.79Å; W42-W46 HydrophobicContact CZ2-CE3 3.79Å; W42-W46 WeakPolarHBondContact O-CB 3.32Å; W42-W46 PolarHBondContact O-N 2.91Å; W42-L124 HydrophobicContact CH2-CD1 4.02Å; W42-L124 HydrophobicContact CH2-CD2 3.93Å; W42-L124 HydrophobicContact CZ3-CD1 4.14Å; W42-L124 HydrophobicContact CZ3-CD2 3.72Å; W42-L128 HydrophobicContact CH2-CB 3.83Å; W42-L128 HydrophobicContact CH2-CD1 4.29Å; W42-L128 HydrophobicContact CH2-CG 4.45Å; W42-L128 WeakPolarHBondContact CH2-O 3.43Å; W42-L128 HydrophobicContact CZ2-CB 4.15Å; W42-L128 HydrophobicContact CZ2-CD1 4.5Å; W42-L128 HydrophobicContact CZ2-CD2 4.1Å; W42-L128 HydrophobicContact CZ2-CG 4.48Å
43	D	98.2	Very high	98.1	Very high	133 Å²	133	45.8 Å²	45.8	71%	0.711	25%	0.251	S	S	*	.	H	α-helix	trans	-61.6	-41.8	-178	-69.2	-24.1	0	0	0	111.9	N41 W46 A47	N41-D43 VanDerWaalsContact C-N 3.31Å; N41-D43 PolarHBondContact O-N 3.28Å; D43-W46 PolarHBondContact O-N 3.47Å; D43-A47 WeakPolarHBondContact O-CB 3.35Å; D43-A47 PolarHBondContact O-N 2.89Å
44	S	98.1	Very high	98.1	Very high	68 Å²	68	45.7 Å²	45.7	48%	0.476	25%	0.25	S	S	.	.	H	α-helix	trans	-64.9	-40.6	175.6	-59.1	0	0	0	0	112	N41 W42 A47 F48	N41-S44 PolarHBondContact O-N 2.95Å; W42-S44 VanDerWaalsContact C-N 3.33Å; W42-S44 PolarHBondContact O-N 2.97Å; S44-A47 PolarHBondContact O-N 3.02Å; S44-F48 PolarHBondContact O-N 3.22Å
45	I	98.5	Very high	98.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-48.9	177.9	-61.9	163.5	0	0	0	109.8	I38 N41 W42 A47 F48 E97 L108 L124 P130	I38-I45 HydrophobicContact CG2-CD1 3.79Å; N41-I45 WeakPolarHBondContact O-CG1 2.97Å; N41-I45 PolarHBondContact O-N 3.33Å; W42-I45 HydrophobicContact CE3-CB 4.4Å; W42-I45 HydrophobicContact CE3-CD1 4.38Å; W42-I45 HydrophobicContact CE3-CG2 4.41Å; W42-I45 HydrophobicContact CZ3-CG2 4.09Å; W42-I45 PolarHBondContact O-N 3.44Å; W42-I45 VanDerWaalsContact O-N 3.16Å; I45-A47 VanDerWaalsContact C-N 3.29Å; I45-A47 PolarHBondContact O-N 3.48Å; I45-F48 WeakPolarHBondContact O-CB 3.43Å; I45-F48 PolarHBondContact O-N 3.22Å; I45-F48 VanDerWaalsContact O-N 3.14Å; I45-E97 HydrophobicContact CD1-CB 4.06Å; I45-E97 HydrophobicContact CG2-CB 3.99Å; I45-L108 HydrophobicContact CG1-CD1 4.13Å; I45-L124 HydrophobicContact CG2-CD1 4.21Å; I45-P130 WeakPolarHBondContact O-CG 3.39Å
46	W	98.1	Very high	98.2	Very high	55 Å²	55	46.2 Å²	46.2	21%	0.208	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-31.6	179.7	-173.8	-108.2	0	0	0	112.8	R30 W42 D43 F48 L128 V129 L131	R30-W46 VanDerWaalsContact NH1-CH2 3.31Å; W42-W46 HydrophobicContact CZ2-CB 4.49Å; W42-W46 HydrophobicContact CZ2-CD2 4.47Å; W42-W46 AromaticContact CZ2-CE3 3.79Å; W42-W46 HydrophobicContact CZ2-CE3 3.79Å; W42-W46 WeakPolarHBondContact O-CB 3.32Å; W42-W46 PolarHBondContact O-N 2.91Å; D43-W46 PolarHBondContact O-N 3.47Å; W46-F48 VanDerWaalsContact C-N 3.27Å; W46-F48 PolarHBondContact O-N 3.43Å; W46-L128 WeakPolarHBondContact CZ3-O 3.31Å; W46-V129 WeakPolarHBondContact CZ3-O 3.33Å; W46-L131 HydrophobicContact CH2-CD1 4.47Å; W46-L131 HydrophobicContact CH2-CD2 4.01Å; W46-L131 HydrophobicContact CH2-CG 3.87Å; W46-L131 HydrophobicContact CZ2-CD1 3.96Å; W46-L131 HydrophobicContact CZ2-CD2 4.32Å; W46-L131 HydrophobicContact CZ2-CG 3.79Å
47	A	97.8	Very high	98.2	Very high	58 Å²	58	45.5 Å²	45.5	48%	0.479	25%	0.248	S	C	.	.	H	α-helix	trans	-76.3	-10.4	175.7	0	0	0	0	0	113.7	D43 S44 I45 R49	D43-A47 WeakPolarHBondContact O-CB 3.35Å; D43-A47 PolarHBondContact O-N 2.89Å; S44-A47 PolarHBondContact O-N 3.02Å; I45-A47 VanDerWaalsContact C-N 3.29Å; I45-A47 PolarHBondContact O-N 3.48Å; A47-R49 PolarHBondContact O-N 3.48Å; A47-R49 PolarHBondContact O-NH1 3.46Å; A47-R49 VanDerWaalsContact O-NH1 3.13Å
48	F	98.3	Very high	98.3	Very high	15 Å²	15	43.2 Å²	43.2	7%	0.066	24%	0.238	C	C	.	.			trans	-53.2	139.3	179	-177.2	-102.4	0	0	0	111.4	S44 I45 W46 P50 L96 L108 L111 I120 P130 F133	S44-F48 PolarHBondContact O-N 3.22Å; I45-F48 WeakPolarHBondContact O-CB 3.43Å; I45-F48 PolarHBondContact O-N 3.22Å; I45-F48 VanDerWaalsContact O-N 3.14Å; W46-F48 VanDerWaalsContact C-N 3.27Å; W46-F48 PolarHBondContact O-N 3.43Å; F48-P50 HydrophobicContact CE1-CB 3.96Å; F48-L96 HydrophobicContact CB-CD1 4.31Å; F48-L96 HydrophobicContact CD1-CD1 3.65Å; F48-L96 HydrophobicContact CD2-CD1 4.28Å; F48-L96 HydrophobicContact CE1-CD1 3.96Å; F48-L96 HydrophobicContact CG-CD1 3.82Å; F48-L96 HydrophobicContact CZ-CD1 4.39Å; F48-L108 HydrophobicContact CB-CD2 4.26Å; F48-L108 HydrophobicContact CD2-CD2 3.66Å; F48-L108 HydrophobicContact CE2-CD2 4.31Å; F48-L108 HydrophobicContact CG-CD2 4.15Å; F48-L111 HydrophobicContact CE2-CB 4.12Å; F48-L111 HydrophobicContact CE2-CD1 3.99Å; F48-L111 HydrophobicContact CZ-CB 4.44Å; F48-L111 HydrophobicContact CZ-CD1 3.94Å; F48-I120 HydrophobicContact CE1-CD1 4.03Å; F48-I120 HydrophobicContact CZ-CD1 4.01Å; F48-P130 HydrophobicContact CB-CB 4.41Å; F48-P130 HydrophobicContact CB-CG 4.19Å; F48-F133 AromaticContact CD1-CE2 3.91Å; F48-F133 HydrophobicContact CD1-CE2 3.91Å; F48-F133 HydrophobicContact CD1-CZ 4.2Å; F48-F133 AromaticContact CE1-CE2 3.99Å; F48-F133 HydrophobicContact CE1-CE2 3.99Å; F48-F133 AromaticContact CE1-CZ 3.79Å; F48-F133 HydrophobicContact CE1-CZ 3.79Å
49	R	97.1	Very high	98.3	Very high	152 Å²	152	43.2 Å²	43.2	57%	0.574	24%	0.238	S	C	*	.			trans	-120.7	107.8	178	-65	-63.6	177	-101.7	5.1	108.4	A47	A47-R49 PolarHBondContact O-N 3.48Å; A47-R49 PolarHBondContact O-NH1 3.46Å; A47-R49 VanDerWaalsContact O-NH1 3.13Å
50	P	98.1	Very high	98.3	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.039	23%	0.234	C	C	.	.			trans	-72.9	151.1	174.5	31	-32.8	0	0	0	110.2	F48 D54 F133 N136	F48-P50 HydrophobicContact CE1-CB 3.96Å; P50-D54 WeakPolarHBondContact CA-OD2 3.37Å; P50-D54 HydrophobicContact CB-CB 4.33Å; P50-F133 HydrophobicContact CB-CD1 3.72Å; P50-F133 HydrophobicContact CB-CD2 4.34Å; P50-F133 HydrophobicContact CB-CE1 3.53Å; P50-F133 HydrophobicContact CB-CE2 4.19Å; P50-F133 HydrophobicContact CB-CG 4.13Å; P50-F133 HydrophobicContact CB-CZ 3.79Å; P50-F133 HydrophobicContact CG-CB 4.17Å; P50-F133 HydrophobicContact CG-CD1 3.73Å; P50-F133 HydrophobicContact CG-CD2 3.86Å; P50-F133 HydrophobicContact CG-CE1 4.02Å; P50-F133 HydrophobicContact CG-CE2 4.13Å; P50-F133 HydrophobicContact CG-CG 3.65Å; P50-F133 HydrophobicContact CG-CZ 4.21Å; P50-F133 VanDerWaalsContact CG-N 3.26Å; P50-N136 PolarHBondContact O-ND2 3.42Å
51	D	98.3	Very high	98.4	Very high	59 Å²	59	37.5 Å²	37.5	32%	0.316	21%	0.206	S	C	.	.			trans	-73.8	145.5	165.5	-174.7	-88.1	0	0	0	108.9	S53 D54 P116 C138	D51-S53 PolarHBondContact O-N 3.4Å; D51-S53 VanDerWaalsContact OD1-CB 3.27Å; D51-S53 WeakPolarHBondContact OD1-CB 3.48Å; D51-S53 PolarHBondContact OD1-N 3.24Å; D51-S53 PolarHBondContact OD1-OG 3.18Å; D51-D54 PolarHBondContact N-OD2 3.47Å; D51-D54 WeakPolarHBondContact O-CB 3.42Å; D51-D54 PolarHBondContact O-N 3.43Å; D51-P116 HydrophobicContact CB-CB 3.66Å; D51-P116 HydrophobicContact CB-CG 3.5Å; D51-P116 VanDerWaalsContact CB-CG 3.5Å; D51-C138 PolarHBondContact O-SG 3.13Å
52	P	97.9	Very high	98.4	Very high	77 Å²	77	35.4 Å²	35.4	50%	0.5	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.7	176.6	-25.4	34.3	0	0	0	114.7	N136	P52-N136 HydrophobicContact CB-CB 4.29Å; P52-N136 HydrophobicContact CG-CB 4.1Å
53	S	98.1	Very high	98.4	Very high	59 Å²	59	34.7 Å²	34.7	41%	0.413	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-6.6	177	70.4	0	0	0	0	114.5	D51 P116 P117	D51-S53 PolarHBondContact O-N 3.4Å; D51-S53 VanDerWaalsContact OD1-CB 3.27Å; D51-S53 WeakPolarHBondContact OD1-CB 3.48Å; D51-S53 PolarHBondContact OD1-N 3.24Å; D51-S53 PolarHBondContact OD1-OG 3.18Å; S53-P116 WeakPolarHBondContact OG-CB 3.24Å; S53-P117 VanDerWaalsContact O-CB 3.23Å; S53-P117 WeakPolarHBondContact O-CB 3.46Å; S53-P117 WeakPolarHBondContact OG-CA 3.47Å
54	D	98.6	Very high	98.4	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.163	C	C	.	.			trans	-66.6	147.4	176.3	-69.4	-29.3	0	0	0	111.9	P50 D51 R118 I120	P50-D54 WeakPolarHBondContact CA-OD2 3.37Å; P50-D54 HydrophobicContact CB-CB 4.33Å; D51-D54 PolarHBondContact N-OD2 3.47Å; D51-D54 WeakPolarHBondContact O-CB 3.42Å; D51-D54 PolarHBondContact O-N 3.43Å; D54-R118 WeakPolarHBondContact OD1-CB 3.41Å; D54-R118 WeakPolarHBondContact OD1-CG 3.38Å; D54-R118 IonicContact OD1-CZ 2.67Å; D54-R118 PolarHBondContact OD1-N 3.28Å; D54-R118 IonicContact OD1-NE 3.53Å; D54-R118 PolarHBondContact OD1-NE 3.03Å; D54-R118 IonicContact OD1-NH2 3.62Å; D54-R118 IonicContact OD2-CZ 3.52Å; D54-R118 IonicContact OD2-NE 3.58Å; D54-R118 PolarHBondContact OD2-NE 3.27Å; D54-R118 VanDerWaalsContact OD2-NE 3.16Å; D54-R118 IonicContact OD2-NH2 3.66Å; D54-R118 PolarHBondContact OD2-NH2 3.39Å; D54-I120 HydrophobicContact CB-CD1 4.03Å
55	L	98.8	Very high	98.4	Very high	16 Å²	16	26.1 Å²	26.1	8%	0.084	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.2	176.2	175.2	59.7	0	0	0	110.1	I72 R118 L119 I120 K139 I141 L226	L55-I72 HydrophobicContact CD2-CD1 4.31Å; L55-I72 HydrophobicContact CD2-CG2 3.64Å; L55-R118 PolarHBondContact N-O 2.96Å; L55-L119 HydrophobicContact CB-CD1 4.01Å; L55-L119 HydrophobicContact CD2-CD1 3.65Å; L55-L119 HydrophobicContact CG-CD1 3.75Å; L55-I120 PolarHBondContact O-N 3.23Å; L55-K139 HydrophobicContact CD1-CB 3.69Å; L55-K139 WeakPolarHBondContact CD1-O 3.47Å; L55-I141 HydrophobicContact CD1-CD1 4.25Å; L55-I141 HydrophobicContact CD1-CG1 4.28Å; L55-L226 HydrophobicContact CD1-CD2 4.01Å; L55-L226 HydrophobicContact CD2-CD1 4.33Å; L55-L226 HydrophobicContact CD2-CD2 3.49Å; L55-L226 VanDerWaalsContact CD2-CD2 3.49Å; L55-L226 HydrophobicContact CG-CD2 4.42Å
56	L	98.9	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	122.6	177.7	-172	67.1	0	0	0	111.1	I120 T122 V129 F133 W134 K139 A140 I141	L56-I120 CarbonylContact C-O 3.56Å; L56-I120 WeakPolarHBondContact CA-O 3.46Å; L56-I120 HydrophobicContact CD1-CB 4.28Å; L56-I120 HydrophobicContact CD1-CG2 4.15Å; L56-T122 HydrophobicContact CD1-CG2 3.67Å; L56-T122 HydrophobicContact CD2-CG2 4.16Å; L56-T122 HydrophobicContact CG-CG2 4.08Å; L56-V129 HydrophobicContact CD2-CG1 3.78Å; L56-F133 HydrophobicContact CB-CD1 3.99Å; L56-F133 HydrophobicContact CB-CE1 3.95Å; L56-F133 HydrophobicContact CD1-CD1 4.37Å; L56-F133 HydrophobicContact CD1-CE1 3.86Å; L56-F133 HydrophobicContact CD1-CE2 4.31Å; L56-F133 HydrophobicContact CD1-CZ 3.82Å; L56-F133 HydrophobicContact CD2-CD1 4.12Å; L56-F133 HydrophobicContact CD2-CD2 4.48Å; L56-F133 HydrophobicContact CD2-CE1 4.43Å; L56-F133 HydrophobicContact CD2-CG 4.14Å; L56-F133 HydrophobicContact CG-CD1 4.39Å; L56-F133 HydrophobicContact CG-CE1 4.3Å; L56-W134 HydrophobicContact CD2-CH2 3.78Å; L56-W134 HydrophobicContact CD2-CZ2 4.5Å; L56-W134 HydrophobicContact CD2-CZ3 4.29Å; L56-K139 PolarHBondContact N-O 2.62Å; L56-A140 HydrophobicContact CB-CB 4.12Å; L56-A140 CarbonylContact O-C 3.55Å; L56-A140 WeakPolarHBondContact O-CA 3.21Å; L56-I141 PolarHBondContact O-N 3.43Å
57	I	98.9	Very high	98.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	110.2	165.8	-58.3	167.3	0	0	0	107.5	T65 T68 Q69 I72 L119 I120 K121 T122 I141	I57-T65 HydrophobicContact CG2-CG2 3.97Å; I57-T68 HydrophobicContact CG2-CG2 4.16Å; I57-Q69 HydrophobicContact CD1-CB 4.19Å; I57-Q69 HydrophobicContact CD1-CG 3.45Å; I57-Q69 VanDerWaalsContact CD1-CG 3.45Å; I57-I72 HydrophobicContact CD1-CD1 3.61Å; I57-I72 HydrophobicContact CG1-CD1 3.73Å; I57-L119 HydrophobicContact CD1-CD1 3.51Å; I57-L119 HydrophobicContact CD1-CD2 4.07Å; I57-L119 HydrophobicContact CD1-CG 3.84Å; I57-L119 HydrophobicContact CG1-CD1 3.83Å; I57-I120 PolarHBondContact N-O 2.92Å; I57-K121 CarbonylContact O-C 3.59Å; I57-K121 WeakPolarHBondContact O-CA 3.39Å; I57-T122 PolarHBondContact O-N 3.15Å; I57-I141 WeakPolarHBondContact CA-O 3.47Å
58	A	98.9	Very high	98.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.4	179.3	0	0	0	0	0	110.5	T122 I141 Y142 V143 Y194	A58-T122 WeakPolarHBondContact CA-O 3.45Å; A58-T122 HydrophobicContact CB-CG2 3.85Å; A58-I141 PolarHBondContact N-O 3.45Å; A58-Y142 HydrophobicContact CB-CD2 3.87Å; A58-Y142 VanDerWaalsContact O-CA 3.23Å; A58-Y142 WeakPolarHBondContact O-CA 3.4Å; A58-Y142 WeakPolarHBondContact O-CD2 3.48Å; A58-V143 PolarHBondContact O-N 3.36Å; A58-V143 VanDerWaalsContact O-N 3.16Å; A58-Y194 HydrophobicContact CB-CD1 4.41Å; A58-Y194 HydrophobicContact CB-CE1 3.53Å; A58-Y194 HydrophobicContact CB-CE2 4.48Å; A58-Y194 WeakPolarHBondContact CB-OH 3.49Å
59	T	98.9	Very high	98.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	152.3	171.6	73.6	0	0	0	0	109.1	T65 T122 H123 V143	T59-T65 HydrophobicContact CG2-CG2 4.04Å; T59-T65 PolarHBondContact OG1-OG1 2.76Å; T59-T122 PolarHBondContact N-O 3.4Å; T59-H123 WeakPolarHBondContact O-CA 3.47Å; T59-H123 PolarHBondContact O-ND1 3.28Å; T59-H123 PolarHBondContact OG1-CE1 3.23Å; T59-H123 PolarHBondContact OG1-ND1 3.26Å; T59-V143 WeakPolarHBondContact CB-O 3.36Å; T59-V143 HydrophobicContact CG2-CB 3.79Å; T59-V143 HydrophobicContact CG2-CG2 4.32Å
60	Y	98.9	Very high	98.6	Very high	1 Å²	1	15 Å²	15	0%	0.004	9%	0.09	C	C	.	.	S	Bend	trans	-59.6	147.3	154.3	-172.2	-98.3	0	0	0	108.4	K62 A63 N150 Y154 F177 G185 W187 H190	Y60-K62 PolarHBondContact O-N 3.01Å; Y60-A63 WeakPolarHBondContact O-CB 3.48Å; Y60-A63 PolarHBondContact O-N 3.27Å; Y60-N150 WeakPolarHBondContact CD1-OD1 3.48Å; Y60-Y154 AromaticContact CE1-CD1 3.72Å; Y60-Y154 HydrophobicContact CE1-CD1 3.72Å; Y60-Y154 AromaticContact CE1-CE1 3.85Å; Y60-Y154 HydrophobicContact CE1-CE1 3.85Å; Y60-Y154 AromaticContact CZ-CE1 3.86Å; Y60-F177 AromaticContact CE1-CE2 3.85Å; Y60-F177 HydrophobicContact CE1-CE2 3.85Å; Y60-F177 HydrophobicContact CE1-CZ 4.34Å; Y60-G185 WeakPolarHBondContact CE2-O 3.48Å; Y60-G185 PolarHBondContact OH-O 3.36Å; Y60-W187 HydrophobicContact CD1-CB 4.35Å; Y60-W187 AromaticContact CD1-CD1 3.54Å; Y60-W187 HydrophobicContact CD1-CG 4.34Å; Y60-W187 HydrophobicContact CD2-CB 4.4Å; Y60-W187 HydrophobicContact CE1-CB 4.05Å; Y60-W187 AromaticContact CE1-CD1 3.93Å; Y60-W187 HydrophobicContact CE1-CG 4.42Å; Y60-W187 HydrophobicContact CE2-CB 4.15Å; Y60-W187 HydrophobicContact CG-CB 4.49Å; Y60-W187 AromaticContact CG-CD1 3.88Å; Y60-H190 HydrophobicContact CD2-CB 3.86Å; Y60-H190 AromaticContact CD2-CD2 3.83Å; Y60-H190 AromaticContact CD2-CG 3.81Å; Y60-H190 PolarHBondContact N-CE1 2.87Å
61	P	98.8	Very high	98.6	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.006	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	139	-179.8	-26.5	32.8	0	0	0	111.5	A63 H123 N150 Y154 W184	P61-A63 PolarHBondContact O-N 2.81Å; P61-H123 HydrophobicContact CG-CB 4.16Å; P61-N150 PolarHBondContact O-ND2 2.82Å; P61-Y154 HydrophobicContact CB-CD1 4.14Å; P61-Y154 HydrophobicContact CB-CE1 3.59Å; P61-Y154 HydrophobicContact CB-CE2 4.28Å; P61-Y154 HydrophobicContact CG-CE1 3.76Å; P61-W184 HydrophobicContact CB-CE3 4.31Å; P61-W184 HydrophobicContact CB-CZ3 4.46Å; P61-W184 HydrophobicContact CG-CB 4.3Å; P61-W184 HydrophobicContact CG-CD2 3.8Å; P61-W184 HydrophobicContact CG-CE3 3.24Å; P61-W184 HydrophobicContact CG-CG 4.26Å; P61-W184 HydrophobicContact CG-CZ3 3.8Å
62	K	98.7	Very high	98.7	Very high	28 Å²	28	12.1 Å²	12.1	12%	0.122	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	18.7	175.4	-36.9	-53.8	-61.5	-175.9	0	117	Y60 R145 Y154 F157	Y60-K62 PolarHBondContact O-N 3.01Å; K62-R145 PolarHBondContact O-NH1 3.29Å; K62-Y154 HydrophobicContact CG-CD2 4.16Å; K62-Y154 HydrophobicContact CG-CG 3.97Å; K62-F157 HydrophobicContact CD-CB 3.83Å; K62-F157 HydrophobicContact CD-CD1 3.75Å; K62-F157 HydrophobicContact CD-CD2 4.35Å; K62-F157 HydrophobicContact CD-CE1 4.35Å; K62-F157 HydrophobicContact CD-CG 3.71Å; K62-F157 HydrophobicContact CG-CB 4.46Å; K62-F157 VanDerWaalsContact NZ-CG 3.33Å
63	A	98.6	Very high	98.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.051	C	C	.	.	S	Bend	trans	-93	10	174	0	0	0	0	0	115.3	Y60 P61 V143 R145	Y60-A63 WeakPolarHBondContact O-CB 3.48Å; Y60-A63 PolarHBondContact O-N 3.27Å; P61-A63 PolarHBondContact O-N 2.81Å; A63-V143 WeakPolarHBondContact CB-O 3.34Å; A63-V143 WeakPolarHBondContact O-CG1 3.43Å; A63-R145 HydrophobicContact CB-CB 3.73Å
64	G	97.9	Very high	98.7	Very high	13 Å²	13	6.1 Å²	6.1	13%	0.134	3%	0.033	C	C	.	.	S	Bend	trans	108.6	23.6	175.8	0	0	0	0	0	115.8	T66 W67 T68	G64-T66 PolarHBondContact O-N 2.85Å; G64-W67 WeakPolarHBondContact O-CB 3.28Å; G64-W67 PolarHBondContact O-N 2.97Å; G64-T68 PolarHBondContact O-N 3.42Å; G64-T68 VanDerWaalsContact O-N 3.07Å; G64-T68 PolarHBondContact O-OG1 3.06Å
65	T	98.6	Very high	98.7	Very high	8 Å²	8	6.2 Å²	6.2	5%	0.049	3%	0.033	C	C	.	.	H	α-helix	trans	-55.6	-52.5	-178.3	-25.3	0	0	0	0	113	I57 T59 W67 T68 Q69 K121 H123	I57-T65 HydrophobicContact CG2-CG2 3.97Å; T59-T65 HydrophobicContact CG2-CG2 4.04Å; T59-T65 PolarHBondContact OG1-OG1 2.76Å; T65-W67 VanDerWaalsContact C-N 3.29Å; T65-W67 PolarHBondContact O-N 2.86Å; T65-T68 WeakPolarHBondContact O-CB 3.48Å; T65-T68 PolarHBondContact O-N 3.28Å; T65-T68 VanDerWaalsContact O-N 3.16Å; T65-Q69 VanDerWaalsContact O-CG 3.31Å; T65-Q69 WeakPolarHBondContact O-CG 3.24Å; T65-Q69 PolarHBondContact O-N 2.97Å; T65-K121 HydrophobicContact CG2-CD 3.82Å; T65-K121 HydrophobicContact CG2-CG 3.78Å; T65-H123 PolarHBondContact OG1-CE1 3.5Å
66	T	98.6	Very high	98.7	Very high	13 Å²	13	9.7 Å²	9.7	8%	0.08	5%	0.052	C	C	.	.	H	α-helix	trans	-61.4	-38.6	-179.2	-50.8	0	0	0	0	112	G64 T68 Q69 E70 M247 A253 Y255 F270 M271	G64-T66 PolarHBondContact O-N 2.85Å; T66-T68 VanDerWaalsContact C-N 3.34Å; T66-T68 PolarHBondContact O-N 3.24Å; T66-Q69 PolarHBondContact O-N 2.88Å; T66-E70 PolarHBondContact O-N 3Å; T66-E70 VanDerWaalsContact O-N 3.07Å; T66-M247 HydrophobicContact CG2-CE 4.03Å; T66-A253 HydrophobicContact CG2-CB 4.47Å; T66-A253 WeakPolarHBondContact CG2-O 3.41Å; T66-Y255 HydrophobicContact CG2-CE2 3.88Å; T66-Y255 WeakPolarHBondContact OG1-CE2 3.29Å; T66-F270 HydrophobicContact CG2-CE1 4.26Å; T66-F270 WeakPolarHBondContact OG1-CZ 3.49Å; T66-M271 HydrophobicContact CG2-CE 4.01Å
67	W	98.8	Very high	98.6	Very high	28 Å²	28	12.7 Å²	12.7	11%	0.106	7%	0.066	C	C	.	.	H	α-helix	trans	-62.5	-45.1	176.9	-170.5	14.2	0	0	0	111.4	G64 T65 E70 I71 Y208 M211 K212 T242 M247	G64-W67 WeakPolarHBondContact O-CB 3.28Å; G64-W67 PolarHBondContact O-N 2.97Å; T65-W67 VanDerWaalsContact C-N 3.29Å; T65-W67 PolarHBondContact O-N 2.86Å; W67-E70 PolarHBondContact O-N 3.13Å; W67-I71 HydrophobicContact CG-CD1 4.32Å; W67-I71 WeakPolarHBondContact O-CG1 3.3Å; W67-I71 PolarHBondContact O-N 3.41Å; W67-Y208 AromaticContact CE3-CD2 3.99Å; W67-Y208 HydrophobicContact CE3-CD2 3.99Å; W67-Y208 AromaticContact CE3-CE2 3.6Å; W67-Y208 HydrophobicContact CE3-CE2 3.6Å; W67-Y208 HydrophobicContact CZ3-CD2 4.07Å; W67-Y208 AromaticContact CZ3-CE2 3.74Å; W67-Y208 HydrophobicContact CZ3-CE2 3.74Å; W67-M211 HydrophobicContact CD2-CE 3.83Å; W67-M211 HydrophobicContact CE3-CB 4.22Å; W67-M211 HydrophobicContact CE3-CE 3.79Å; W67-M211 HydrophobicContact CG-CE 4.23Å; W67-M211 VanDerWaalsContact CH2-C 3.41Å; W67-M211 HydrophobicContact CH2-CB 3.63Å; W67-M211 VanDerWaalsContact CH2-O 3.27Å; W67-M211 WeakPolarHBondContact CH2-O 3.35Å; W67-M211 HydrophobicContact CZ2-CB 4.38Å; W67-M211 HydrophobicContact CZ3-CB 3.51Å; W67-M211 HydrophobicContact CZ3-CE 4.25Å; W67-K212 HydrophobicContact CH2-CD 3.63Å; W67-K212 HydrophobicContact CH2-CG 4Å; W67-K212 HydrophobicContact CZ3-CD 3.73Å; W67-K212 HydrophobicContact CZ3-CG 3.83Å; W67-T242 PolarHBondContact NE1-O 2.98Å; W67-M247 HydrophobicContact CB-SD 4.48Å; W67-M247 VanDerWaalsContact CD1-SD 3.59Å; W67-M247 HydrophobicContact CG-SD 4.29Å
68	T	98.8	Very high	98.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.9	-40.6	178.1	-51.5	0	0	0	0	111.9	I57 G64 T65 T66 E70 I71 I72 I141 V143	I57-T68 HydrophobicContact CG2-CG2 4.16Å; G64-T68 PolarHBondContact O-N 3.42Å; G64-T68 VanDerWaalsContact O-N 3.07Å; G64-T68 PolarHBondContact O-OG1 3.06Å; T65-T68 WeakPolarHBondContact O-CB 3.48Å; T65-T68 PolarHBondContact O-N 3.28Å; T65-T68 VanDerWaalsContact O-N 3.16Å; T66-T68 VanDerWaalsContact C-N 3.34Å; T66-T68 PolarHBondContact O-N 3.24Å; T68-E70 PolarHBondContact O-N 3.32Å; T68-I71 PolarHBondContact O-N 3.19Å; T68-I72 HydrophobicContact CG2-CD1 3.66Å; T68-I72 HydrophobicContact CG2-CG1 4.46Å; T68-I72 WeakPolarHBondContact O-CB 3.39Å; T68-I72 WeakPolarHBondContact O-CD1 3.42Å; T68-I72 VanDerWaalsContact O-CG1 3.28Å; T68-I72 WeakPolarHBondContact O-CG1 3.42Å; T68-I72 PolarHBondContact O-N 2.82Å; T68-I141 HydrophobicContact CG2-CG2 3.97Å; T68-V143 HydrophobicContact CG2-CG2 4.01Å; T68-V143 WeakPolarHBondContact OG1-CG2 3.49Å
69	Q	98.8	Very high	98.4	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-57.5	-47.5	174.3	-72.8	172.3	-66.5	0	0	111.6	I57 T65 T66 I72 D73 T89 S93	I57-Q69 HydrophobicContact CD1-CB 4.19Å; I57-Q69 HydrophobicContact CD1-CG 3.45Å; I57-Q69 VanDerWaalsContact CD1-CG 3.45Å; T65-Q69 VanDerWaalsContact O-CG 3.31Å; T65-Q69 WeakPolarHBondContact O-CG 3.24Å; T65-Q69 PolarHBondContact O-N 2.97Å; T66-Q69 PolarHBondContact O-N 2.88Å; Q69-I72 PolarHBondContact O-N 3.44Å; Q69-D73 WeakPolarHBondContact O-CB 3.47Å; Q69-D73 PolarHBondContact O-N 2.87Å; Q69-T89 HydrophobicContact CB-CG2 3.83Å; Q69-T89 HydrophobicContact CG-CG2 4.25Å; Q69-S93 PolarHBondContact NE2-O 3.33Å
70	E	98.8	Very high	98.4	Very high	5 Å²	5	20.7 Å²	20.7	2%	0.023	11%	0.108	C	C	.	.	H	α-helix	trans	-67.2	-40.1	178.3	-64.8	-43.3	129.9	0	0	113.1	T66 W67 T68 I72 D73 L74 T89 R92 T242 M247 A253	T66-E70 PolarHBondContact O-N 3Å; T66-E70 VanDerWaalsContact O-N 3.07Å; W67-E70 PolarHBondContact O-N 3.13Å; T68-E70 PolarHBondContact O-N 3.32Å; E70-I72 VanDerWaalsContact C-N 3.33Å; E70-I72 PolarHBondContact O-N 3.36Å; E70-D73 PolarHBondContact O-N 3.39Å; E70-L74 WeakPolarHBondContact O-CB 3.17Å; E70-L74 WeakPolarHBondContact O-CG 3.39Å; E70-L74 PolarHBondContact O-N 3.41Å; E70-T89 PolarHBondContact OE1-OG1 3Å; E70-R92 IonicContact OE1-CZ 2.76Å; E70-R92 IonicContact OE1-NH1 2.94Å; E70-R92 PolarHBondContact OE1-NH1 3.29Å; E70-R92 IonicContact OE1-NH2 3.38Å; E70-R92 PolarHBondContact OE1-NH2 3.25Å; E70-R92 IonicContact OE2-CZ 3.74Å; E70-R92 IonicContact OE2-NH1 2.72Å; E70-R92 PolarHBondContact OE2-NH1 3.47Å; E70-R92 IonicContact OE2-NH2 3.24Å; E70-R92 PolarHBondContact OE2-NH2 3.37Å; E70-T242 HydrophobicContact CB-CG2 4.08Å; E70-M247 HydrophobicContact CB-CE 3.93Å; E70-M247 HydrophobicContact CB-SD 4.25Å; E70-M247 HydrophobicContact CG-CE 3.32Å; E70-M247 HydrophobicContact CG-SD 4.22Å; E70-A253 HydrophobicContact CG-CB 3.75Å
71	I	98.9	Very high	98.2	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.015	12%	0.12	C	C	.	.	H	α-helix	trans	-57.9	-49.1	175.5	-70.6	165.5	0	0	0	110.3	W67 T68 L75 M211 V219 I222 I238 T242	W67-I71 HydrophobicContact CG-CD1 4.32Å; W67-I71 WeakPolarHBondContact O-CG1 3.3Å; W67-I71 PolarHBondContact O-N 3.41Å; T68-I71 PolarHBondContact O-N 3.19Å; I71-L75 HydrophobicContact CG2-CD1 3.9Å; I71-L75 WeakPolarHBondContact O-CB 3.44Å; I71-L75 WeakPolarHBondContact O-CG 3.49Å; I71-L75 PolarHBondContact O-N 2.83Å; I71-M211 HydrophobicContact CD1-CE 3.64Å; I71-V219 HydrophobicContact CD1-CG2 4.26Å; I71-V219 HydrophobicContact CG1-CG2 4.32Å; I71-V219 HydrophobicContact CG2-CG2 3.94Å; I71-I222 HydrophobicContact CG2-CD1 3.84Å; I71-I238 HydrophobicContact CG2-CG2 4.44Å; I71-T242 HydrophobicContact CB-CG2 4.49Å; I71-T242 HydrophobicContact CG1-CG2 3.71Å
72	I	98.8	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.7	-45.5	-177.2	-67.1	162.1	0	0	0	110.7	L55 I57 T68 Q69 E70 L74 L75 L76 L119 I141 I222 L226	L55-I72 HydrophobicContact CD2-CD1 4.31Å; L55-I72 HydrophobicContact CD2-CG2 3.64Å; I57-I72 HydrophobicContact CD1-CD1 3.61Å; I57-I72 HydrophobicContact CG1-CD1 3.73Å; T68-I72 HydrophobicContact CG2-CD1 3.66Å; T68-I72 HydrophobicContact CG2-CG1 4.46Å; T68-I72 WeakPolarHBondContact O-CB 3.39Å; T68-I72 WeakPolarHBondContact O-CD1 3.42Å; T68-I72 VanDerWaalsContact O-CG1 3.28Å; T68-I72 WeakPolarHBondContact O-CG1 3.42Å; T68-I72 PolarHBondContact O-N 2.82Å; Q69-I72 PolarHBondContact O-N 3.44Å; E70-I72 VanDerWaalsContact C-N 3.33Å; E70-I72 PolarHBondContact O-N 3.36Å; I72-L74 VanDerWaalsContact C-N 3.29Å; I72-L74 PolarHBondContact O-N 2.82Å; I72-L75 WeakPolarHBondContact O-CB 3.5Å; I72-L75 PolarHBondContact O-N 3.31Å; I72-L75 VanDerWaalsContact O-N 3.15Å; I72-L76 HydrophobicContact CG2-CD1 3.85Å; I72-L76 HydrophobicContact CG2-CG 4.21Å; I72-L76 VanDerWaalsContact O-CG 3.3Å; I72-L76 WeakPolarHBondContact O-CG 3.47Å; I72-L76 PolarHBondContact O-N 2.81Å; I72-L119 HydrophobicContact CB-CD2 4.17Å; I72-L119 HydrophobicContact CG2-CD1 3.89Å; I72-L119 HydrophobicContact CG2-CD2 3.79Å; I72-I141 HydrophobicContact CD1-CD1 3.52Å; I72-I141 HydrophobicContact CG1-CD1 4.13Å; I72-I222 HydrophobicContact CG1-CG2 3.81Å; I72-L226 HydrophobicContact CG1-CD1 4.33Å; I72-L226 HydrophobicContact CG2-CD1 3.96Å
73	D	98.4	Very high	98.1	Very high	3 Å²	3	28 Å²	28	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-61.8	-40.2	-179.4	-164.4	55.1	0	0	0	111.4	Q69 E70 L76 H77 C84 R86 R92	Q69-D73 WeakPolarHBondContact O-CB 3.47Å; Q69-D73 PolarHBondContact O-N 2.87Å; E70-D73 PolarHBondContact O-N 3.39Å; D73-L76 PolarHBondContact O-N 2.96Å; D73-H77 PolarHBondContact O-N 3Å; D73-H77 PolarHBondContact O-ND1 3.3Å; D73-H77 IonicContact OD1-CE1 2.85Å; D73-H77 PolarHBondContact OD1-CE1 3.39Å; D73-H77 IonicContact OD1-ND1 3.32Å; D73-C84 PolarHBondContact OD2-SG 3.27Å; D73-R86 IonicContact OD1-CZ 3.71Å; D73-R86 IonicContact OD1-NH1 3.73Å; D73-R86 PolarHBondContact OD1-NH1 2.67Å; D73-R86 IonicContact OD1-NH2 3.7Å; D73-R86 PolarHBondContact OD1-NH2 2.72Å; D73-R86 IonicContact OD2-CZ 3.68Å; D73-R86 IonicContact OD2-NH1 3Å; D73-R86 PolarHBondContact OD2-NH1 2.85Å; D73-R86 IonicContact OD2-NH2 2.72Å; D73-R92 VanDerWaalsContact CG-NH1 3.35Å; D73-R92 WeakPolarHBondContact OD2-CD 3.37Å; D73-R92 IonicContact OD2-CZ 2.64Å; D73-R92 IonicContact OD2-NE 2.95Å; D73-R92 IonicContact OD2-NH1 3.97Å; D73-R92 PolarHBondContact OD2-NH1 2.9Å
74	L	98.6	Very high	98	Very high	8 Å²	8	28.3 Å²	28.3	4%	0.042	16%	0.155	C	C	.	.	H	α-helix	trans	-65.9	-42	173.7	-76.3	163.7	0	0	0	112.2	E70 I72 L76 H77 N78 G79 C84 I238 L241 T242	E70-L74 WeakPolarHBondContact O-CB 3.17Å; E70-L74 WeakPolarHBondContact O-CG 3.39Å; E70-L74 PolarHBondContact O-N 3.41Å; I72-L74 VanDerWaalsContact C-N 3.29Å; I72-L74 PolarHBondContact O-N 2.82Å; L74-L76 VanDerWaalsContact C-N 3.33Å; L74-L76 PolarHBondContact O-N 3.36Å; L74-H77 CarbonylContact O-C 3.35Å; L74-H77 PolarHBondContact O-N 2.88Å; L74-H77 VanDerWaalsContact O-N 3.16Å; L74-N78 PolarHBondContact O-N 3.03Å; L74-N78 VanDerWaalsContact O-N 3.12Å; L74-G79 WeakPolarHBondContact O-CA 3.34Å; L74-G79 PolarHBondContact O-N 3.26Å; L74-C84 HydrophobicContact CD2-CB 4.18Å; L74-C84 VanDerWaalsContact CD2-SG 3.59Å; L74-I238 HydrophobicContact CB-CD1 4.19Å; L74-I238 HydrophobicContact CB-CG1 3.93Å; L74-I238 HydrophobicContact CB-CG2 4.37Å; L74-I238 HydrophobicContact CD1-CG2 4.43Å; L74-L241 HydrophobicContact CD1-CB 3.91Å; L74-L241 HydrophobicContact CD1-CD1 4.25Å; L74-L241 HydrophobicContact CD2-CD1 3.9Å; L74-T242 HydrophobicContact CD1-CG2 3.53Å
75	L	98.6	Very high	98	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-59.1	-44.4	175.5	-79.5	169.4	0	0	0	111.6	I71 I72 H77 N78 V219 I222 M223 L228 V230 I238	I71-L75 HydrophobicContact CG2-CD1 3.9Å; I71-L75 WeakPolarHBondContact O-CB 3.44Å; I71-L75 WeakPolarHBondContact O-CG 3.49Å; I71-L75 PolarHBondContact O-N 2.83Å; I72-L75 WeakPolarHBondContact O-CB 3.5Å; I72-L75 PolarHBondContact O-N 3.31Å; I72-L75 VanDerWaalsContact O-N 3.15Å; L75-H77 PolarHBondContact O-N 2.9Å; L75-N78 PolarHBondContact O-N 3.45Å; L75-V219 HydrophobicContact CD2-CG1 4.32Å; L75-I222 HydrophobicContact CD1-CB 4.16Å; L75-I222 HydrophobicContact CD1-CG2 3.63Å; L75-M223 HydrophobicContact CD1-CB 4.24Å; L75-M223 HydrophobicContact CD2-CB 3.89Å; L75-M223 HydrophobicContact CD2-CG 4.09Å; L75-L228 HydrophobicContact CB-CD1 3.9Å; L75-V230 HydrophobicContact CD2-CG2 4.32Å; L75-I238 HydrophobicContact CD2-CD1 3.58Å; L75-I238 HydrophobicContact CG-CD1 3.85Å
76	L	97.8	Very high	97.9	Very high	89 Å²	89	38.2 Å²	38.2	47%	0.466	19%	0.19	S	C	.	.	H	α-helix	trans	-64.7	-23	178.2	-68	173.7	0	0	0	113.1	I72 D73 L74 L228	I72-L76 HydrophobicContact CG2-CD1 3.85Å; I72-L76 HydrophobicContact CG2-CG 4.21Å; I72-L76 VanDerWaalsContact O-CG 3.3Å; I72-L76 WeakPolarHBondContact O-CG 3.47Å; I72-L76 PolarHBondContact O-N 2.81Å; D73-L76 PolarHBondContact O-N 2.96Å; L74-L76 VanDerWaalsContact C-N 3.33Å; L74-L76 PolarHBondContact O-N 3.36Å; L76-L228 HydrophobicContact CD2-CD1 4.27Å
77	H	97.8	Very high	97.7	Very high	63 Å²	63	38.5 Å²	38.5	29%	0.292	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	24.3	177.1	-61.8	84.6	0	0	0	112.7	D73 L74 L75 G79 D80 A83 R86	D73-H77 PolarHBondContact O-N 3Å; D73-H77 PolarHBondContact O-ND1 3.3Å; D73-H77 IonicContact OD1-CE1 2.85Å; D73-H77 PolarHBondContact OD1-CE1 3.39Å; D73-H77 IonicContact OD1-ND1 3.32Å; L74-H77 CarbonylContact O-C 3.35Å; L74-H77 PolarHBondContact O-N 2.88Å; L74-H77 VanDerWaalsContact O-N 3.16Å; L75-H77 PolarHBondContact O-N 2.9Å; H77-G79 PolarHBondContact O-N 3.31Å; H77-G79 VanDerWaalsContact O-N 3.08Å; H77-D80 HydrophobicContact CB-CB 4.34Å; H77-D80 WeakPolarHBondContact O-CB 3.4Å; H77-D80 PolarHBondContact O-N 2.74Å; H77-A83 HydrophobicContact CB-CB 3.99Å; H77-R86 PolarHBondContact CE1-NH1 3.04Å
78	N	97.4	Very high	97.6	Very high	93 Å²	93	38.6 Å²	38.6	50%	0.497	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	33.6	176.7	-163.7	37.1	0	0	0	113.9	L74 L75 D80 V230 V234 R237	L74-N78 PolarHBondContact O-N 3.03Å; L74-N78 VanDerWaalsContact O-N 3.12Å; L75-N78 PolarHBondContact O-N 3.45Å; N78-D80 VanDerWaalsContact C-N 3.35Å; N78-V230 WeakPolarHBondContact OD1-CG1 3.23Å; N78-V234 WeakPolarHBondContact O-CG1 3.38Å; N78-R237 PolarHBondContact O-NH2 3.2Å
79	G	96.9	Very high	97.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	15.3	-176.9	0	0	0	0	0	115.3	L74 H77 A81 R237	L74-G79 WeakPolarHBondContact O-CA 3.34Å; L74-G79 PolarHBondContact O-N 3.26Å; H77-G79 PolarHBondContact O-N 3.31Å; H77-G79 VanDerWaalsContact O-N 3.08Å; G79-A81 PolarHBondContact O-N 2.94Å; G79-R237 VanDerWaalsContact C-NH2 3.32Å; G79-R237 PolarHBondContact O-NE 2.84Å; G79-R237 VanDerWaalsContact O-NE 3.08Å; G79-R237 PolarHBondContact O-NH2 3.11Å
80	D	97.6	Very high	97.3	Very high	75 Å²	75	39.4 Å²	39.4	40%	0.401	20%	0.203	S	C	.	.			trans	-71.9	104.4	175.2	-173.3	-17.1	0	0	0	111.2	H77 N78 E82 A83 C84	H77-D80 HydrophobicContact CB-CB 4.34Å; H77-D80 WeakPolarHBondContact O-CB 3.4Å; H77-D80 PolarHBondContact O-N 2.74Å; N78-D80 VanDerWaalsContact C-N 3.35Å; D80-E82 VanDerWaalsContact C-N 3.32Å; D80-E82 PolarHBondContact O-N 3.22Å; D80-E82 PolarHBondContact OD1-N 3.4Å; D80-A83 HydrophobicContact CB-CB 3.92Å; D80-A83 PolarHBondContact O-N 3.01Å; D80-A83 PolarHBondContact OD1-N 2.93Å; D80-A83 VanDerWaalsContact OD1-N 3.14Å; D80-C84 PolarHBondContact O-N 3.36Å
81	A	96.1	Very high	97.2	Very high	30 Å²	30	41.4 Å²	41.4	25%	0.248	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-29.5	179.4	0	0	0	0	0	113.3	G79 C84 K85 L241	G79-A81 PolarHBondContact O-N 2.94Å; A81-C84 PolarHBondContact O-N 2.7Å; A81-K85 VanDerWaalsContact O-CG 3.31Å; A81-K85 WeakPolarHBondContact O-CG 3.35Å; A81-K85 PolarHBondContact O-N 2.86Å; A81-L241 HydrophobicContact CB-CD1 3.97Å; A81-L241 HydrophobicContact CB-CD2 4.48Å
82	E	97.4	Very high	97.1	Very high	126 Å²	126	41.6 Å²	41.6	59%	0.589	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-39.3	179	-64.9	-52.9	124.9	0	0	110.6	D80 C84 K85	D80-E82 VanDerWaalsContact C-N 3.32Å; D80-E82 PolarHBondContact O-N 3.22Å; D80-E82 PolarHBondContact OD1-N 3.4Å; E82-C84 VanDerWaalsContact C-N 3.26Å; E82-C84 PolarHBondContact O-N 3.36Å; E82-K85 WeakPolarHBondContact O-CB 3.2Å; E82-K85 PolarHBondContact O-N 2.98Å; E82-K85 IonicContact OE1-NZ 2.68Å; E82-K85 PolarHBondContact OE1-NZ 3.17Å; E82-K85 IonicContact OE2-NZ 3.84Å
83	A	97.3	Very high	97	Very high	26 Å²	26	41.7 Å²	41.7	22%	0.215	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-60.3	-36.7	172.3	0	0	0	0	0	112.3	H77 D80 K85 R86	H77-A83 HydrophobicContact CB-CB 3.99Å; D80-A83 HydrophobicContact CB-CB 3.92Å; D80-A83 PolarHBondContact O-N 3.01Å; D80-A83 PolarHBondContact OD1-N 2.93Å; D80-A83 VanDerWaalsContact OD1-N 3.14Å; A83-K85 VanDerWaalsContact C-N 3.25Å; A83-K85 PolarHBondContact O-N 2.83Å; A83-R86 WeakPolarHBondContact O-CB 3.47Å; A83-R86 WeakPolarHBondContact O-CD 3.48Å; A83-R86 VanDerWaalsContact O-CG 3.28Å; A83-R86 WeakPolarHBondContact O-CG 3.28Å; A83-R86 PolarHBondContact O-N 2.83Å; A83-R86 PolarHBondContact O-NH1 3.32Å
84	C	97.1	Very high	97	Very high	8 Å²	8	41.5 Å²	41.5	5%	0.054	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-73.2	-12.8	174.9	-68.5	0	0	0	0	114	D73 L74 D80 A81 E82 R86 R92	D73-C84 PolarHBondContact OD2-SG 3.27Å; L74-C84 HydrophobicContact CD2-CB 4.18Å; L74-C84 VanDerWaalsContact CD2-SG 3.59Å; D80-C84 PolarHBondContact O-N 3.36Å; A81-C84 PolarHBondContact O-N 2.7Å; E82-C84 VanDerWaalsContact C-N 3.26Å; E82-C84 PolarHBondContact O-N 3.36Å; C84-R86 VanDerWaalsContact C-N 3.34Å; C84-R92 WeakPolarHBondContact O-CD 3.38Å; C84-R92 PolarHBondContact O-NE 3.48Å
85	K	96.9	Very high	97	Very high	103 Å²	103	42.4 Å²	42.4	45%	0.448	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-87	0.9	174.9	-72.3	169.1	-171.8	173.5	0	114.3	A81 E82 A83 A87 M252	A81-K85 VanDerWaalsContact O-CG 3.31Å; A81-K85 WeakPolarHBondContact O-CG 3.35Å; A81-K85 PolarHBondContact O-N 2.86Å; E82-K85 WeakPolarHBondContact O-CB 3.2Å; E82-K85 PolarHBondContact O-N 2.98Å; E82-K85 IonicContact OE1-NZ 2.68Å; E82-K85 PolarHBondContact OE1-NZ 3.17Å; E82-K85 IonicContact OE2-NZ 3.84Å; A83-K85 VanDerWaalsContact C-N 3.25Å; A83-K85 PolarHBondContact O-N 2.83Å; K85-A87 PolarHBondContact O-N 3.39Å; K85-A87 VanDerWaalsContact O-N 3.1Å; K85-M252 HydrophobicContact CB-CG 4.42Å; K85-M252 HydrophobicContact CG-CG 4.3Å
86	R	95.9	Very high	97	Very high	125 Å²	125	42.3 Å²	42.3	47%	0.472	22%	0.219	S	C	.	.	S	Bend	trans	-54.9	-29.4	-179.9	68.8	-171.8	-179.7	-75.4	-0.3	114.5	D73 H77 A83 C84 R92	D73-R86 IonicContact OD1-CZ 3.71Å; D73-R86 IonicContact OD1-NH1 3.73Å; D73-R86 PolarHBondContact OD1-NH1 2.67Å; D73-R86 IonicContact OD1-NH2 3.7Å; D73-R86 PolarHBondContact OD1-NH2 2.72Å; D73-R86 IonicContact OD2-CZ 3.68Å; D73-R86 IonicContact OD2-NH1 3Å; D73-R86 PolarHBondContact OD2-NH1 2.85Å; D73-R86 IonicContact OD2-NH2 2.72Å; H77-R86 PolarHBondContact CE1-NH1 3.04Å; A83-R86 WeakPolarHBondContact O-CB 3.47Å; A83-R86 WeakPolarHBondContact O-CD 3.48Å; A83-R86 VanDerWaalsContact O-CG 3.28Å; A83-R86 WeakPolarHBondContact O-CG 3.28Å; A83-R86 PolarHBondContact O-N 2.83Å; A83-R86 PolarHBondContact O-NH1 3.32Å; C84-R86 VanDerWaalsContact C-N 3.34Å; R86-R92 HydrophobicContact CG-CG 4.14Å
87	A	96.1	Very high	97.1	Very high	20 Å²	20	38 Å²	38	17%	0.165	20%	0.197	C	C	.	.	S	Bend	trans	-164.5	165.5	173.5	0	0	0	0	0	111.4	K85 V91 R92 M252	K85-A87 PolarHBondContact O-N 3.39Å; K85-A87 VanDerWaalsContact O-N 3.1Å; A87-V91 HydrophobicContact CB-CB 3.9Å; A87-V91 HydrophobicContact CB-CG1 3.85Å; A87-R92 HydrophobicContact CB-CG 4.09Å; A87-R92 VanDerWaalsContact O-CD 3.29Å; A87-R92 WeakPolarHBondContact O-CD 3.2Å; A87-R92 WeakPolarHBondContact O-CG 3.23Å; A87-R92 PolarHBondContact O-NE 2.71Å; A87-M252 VanDerWaalsContact C-SD 3.5Å
88	P	96.4	Very high	97.1	Very high	30 Å²	30	36.3 Å²	36.3	20%	0.195	19%	0.189	C	C	.	.			trans	-64	156.7	171.5	-22.2	34.2	0	0	0	113.5	P90 V91 R92 M252 C257	P88-P90 VanDerWaalsContact C-CD 3.45Å; P88-V91 WeakPolarHBondContact O-CB 3.46Å; P88-V91 PolarHBondContact O-N 2.93Å; P88-R92 PolarHBondContact O-N 3.13Å; P88-M252 CarbonylContact C-O 3.53Å; P88-M252 WeakPolarHBondContact CA-O 3.44Å; P88-M252 HydrophobicContact CB-SD 4.45Å; P88-M252 HydrophobicContact CG-CE 4.3Å; P88-M252 HydrophobicContact CG-SD 3.97Å; P88-C257 HydrophobicContact CB-CB 4.13Å; P88-C257 VanDerWaalsContact CB-SG 3.54Å; P88-C257 HydrophobicContact CG-CB 3.9Å
89	T	96.2	Very high	97	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-50.7	-43.2	-176.8	-46.3	0	0	0	0	114	Q69 E70 V91 R92 S93 M252 A253	Q69-T89 HydrophobicContact CB-CG2 3.83Å; Q69-T89 HydrophobicContact CG-CG2 4.25Å; E70-T89 PolarHBondContact OE1-OG1 3Å; T89-V91 PolarHBondContact O-N 3.13Å; T89-V91 VanDerWaalsContact O-N 3.14Å; T89-R92 PolarHBondContact O-N 3.07Å; T89-R92 PolarHBondContact OG1-NH2 3.16Å; T89-S93 PolarHBondContact O-N 3.25Å; T89-M252 PolarHBondContact N-O 2.92Å; T89-M252 PolarHBondContact OG1-O 2.8Å; T89-A253 WeakPolarHBondContact OG1-CA 3.44Å
90	P	94.6	Very high	96.9	Very high	16 Å²	16	33.8 Å²	33.8	10%	0.104	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-23.3	178.3	-25.2	36.3	0	0	0	114.6	Y10 P88 P94 Y255 I258	Y10-P90 HydrophobicContact CE1-CB 4.33Å; P88-P90 VanDerWaalsContact C-CD 3.45Å; P90-P94 WeakPolarHBondContact O-CA 3.14Å; P90-Y255 HydrophobicContact CG-CD1 4.21Å; P90-Y255 HydrophobicContact CG-CE1 3.63Å; P90-I258 HydrophobicContact CG-CD1 4.49Å
91	V	96	Very high	96.7	Very high	48 Å²	48	30.5 Å²	30.5	29%	0.291	16%	0.161	S	C	.	.	H	α-helix	trans	-92.1	-42	178.6	-178.5	0	0	0	0	110.8	Y10 A87 P88 T89 S93	Y10-V91 HydrophobicContact CG-CG2 4.4Å; A87-V91 HydrophobicContact CB-CB 3.9Å; A87-V91 HydrophobicContact CB-CG1 3.85Å; P88-V91 WeakPolarHBondContact O-CB 3.46Å; P88-V91 PolarHBondContact O-N 2.93Å; T89-V91 PolarHBondContact O-N 3.13Å; T89-V91 VanDerWaalsContact O-N 3.14Å; V91-S93 VanDerWaalsContact C-N 3.3Å; V91-S93 PolarHBondContact O-N 2.8Å
92	R	97	Very high	96.6	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-66.8	-32	176.7	-73.3	-173.4	-73	125.5	3.8	113	E70 D73 C84 R86 A87 P88 T89	E70-R92 IonicContact OE1-CZ 2.76Å; E70-R92 IonicContact OE1-NH1 2.94Å; E70-R92 PolarHBondContact OE1-NH1 3.29Å; E70-R92 IonicContact OE1-NH2 3.38Å; E70-R92 PolarHBondContact OE1-NH2 3.25Å; E70-R92 IonicContact OE2-CZ 3.74Å; E70-R92 IonicContact OE2-NH1 2.72Å; E70-R92 PolarHBondContact OE2-NH1 3.47Å; E70-R92 IonicContact OE2-NH2 3.24Å; E70-R92 PolarHBondContact OE2-NH2 3.37Å; D73-R92 VanDerWaalsContact CG-NH1 3.35Å; D73-R92 WeakPolarHBondContact OD2-CD 3.37Å; D73-R92 IonicContact OD2-CZ 2.64Å; D73-R92 IonicContact OD2-NE 2.95Å; D73-R92 IonicContact OD2-NH1 3.97Å; D73-R92 PolarHBondContact OD2-NH1 2.9Å; C84-R92 WeakPolarHBondContact O-CD 3.38Å; C84-R92 PolarHBondContact O-NE 3.48Å; R86-R92 HydrophobicContact CG-CG 4.14Å; A87-R92 HydrophobicContact CB-CG 4.09Å; A87-R92 VanDerWaalsContact O-CD 3.29Å; A87-R92 WeakPolarHBondContact O-CD 3.2Å; A87-R92 WeakPolarHBondContact O-CG 3.23Å; A87-R92 PolarHBondContact O-NE 2.71Å; P88-R92 PolarHBondContact O-N 3.13Å; T89-R92 PolarHBondContact O-N 3.07Å; T89-R92 PolarHBondContact OG1-NH2 3.16Å
93	S	97.7	Very high	96.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	17%	0.172	C	C	.	.	S	Bend	trans	-136.3	78.8	-178	-56.3	0	0	0	0	110.4	Q69 T89 V91 L119	Q69-S93 PolarHBondContact NE2-O 3.33Å; T89-S93 PolarHBondContact O-N 3.25Å; V91-S93 VanDerWaalsContact C-N 3.3Å; V91-S93 PolarHBondContact O-N 2.8Å; S93-L119 WeakPolarHBondContact CA-O 3.22Å; S93-L119 VanDerWaalsContact OG-CD2 3.23Å; S93-L119 WeakPolarHBondContact OG-CD2 3.32Å; S93-L119 WeakPolarHBondContact OG-CG 3.47Å
94	P	98.1	Very high	96.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.			trans	-54.3	143.2	-174.7	-27.9	36.1	0	0	0	113	P90 L96 L110 L111 M114 K121	P90-P94 WeakPolarHBondContact O-CA 3.14Å; P94-L96 PolarHBondContact O-N 2.84Å; P94-L110 HydrophobicContact CB-CB 3.93Å; P94-L110 HydrophobicContact CB-CD1 4.3Å; P94-L110 HydrophobicContact CG-CB 3.74Å; P94-L110 HydrophobicContact CG-CD1 4.4Å; P94-L111 HydrophobicContact CB-CD1 4.46Å; P94-L111 HydrophobicContact CB-CD2 3.88Å; P94-L111 HydrophobicContact CB-CG 3.78Å; P94-L111 HydrophobicContact CG-CD2 3.9Å; P94-L111 HydrophobicContact CG-CG 4.15Å; P94-M114 HydrophobicContact CG-SD 3.45Å; P94-M114 WeakPolarHBondContact CG-SD 3.26Å; P94-K121 PolarHBondContact O-N 2.79Å
95	F	98.6	Very high	96.3	Very high	27 Å²	27	31.1 Å²	31.1	12%	0.118	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-88.3	100.3	179.1	-172.9	-171.5	0	0	0	109.3	E97 I98 G107 K121 H123 W184	F95-E97 VanDerWaalsContact C-N 3.32Å; F95-E97 WeakPolarHBondContact CD2-OE2 3.46Å; F95-E97 HydrophobicContact CE2-CG 4.05Å; F95-E97 WeakPolarHBondContact CE2-OE1 3.45Å; F95-E97 WeakPolarHBondContact CE2-OE2 3.48Å; F95-E97 HydrophobicContact CZ-CG 4.36Å; F95-E97 PolarHBondContact O-N 3.22Å; F95-E97 VanDerWaalsContact O-N 3.1Å; F95-I98 HydrophobicContact CB-CB 4Å; F95-I98 HydrophobicContact CB-CG2 3.8Å; F95-I98 HydrophobicContact CD1-CB 3.65Å; F95-I98 HydrophobicContact CD1-CD1 4.1Å; F95-I98 HydrophobicContact CD1-CG1 4.06Å; F95-I98 HydrophobicContact CD1-CG2 4.3Å; F95-I98 HydrophobicContact CE1-CB 4.32Å; F95-I98 HydrophobicContact CE1-CD1 4.07Å; F95-I98 HydrophobicContact CG-CB 3.91Å; F95-I98 HydrophobicContact CG-CG2 4.29Å; F95-I98 VanDerWaalsContact O-CG2 3.27Å; F95-I98 WeakPolarHBondContact O-CG2 3.38Å; F95-I98 PolarHBondContact O-N 3.48Å; F95-G107 VanDerWaalsContact O-CA 3.3Å; F95-G107 WeakPolarHBondContact O-CA 3.34Å; F95-K121 CarbonylContact C-O 3.52Å; F95-K121 HydrophobicContact CB-CD 4.27Å; F95-K121 HydrophobicContact CD2-CB 4.47Å; F95-K121 HydrophobicContact CD2-CD 4.02Å; F95-K121 HydrophobicContact CD2-CG 3.86Å; F95-K121 HydrophobicContact CE2-CD 4.48Å; F95-K121 HydrophobicContact CE2-CG 4.32Å; F95-K121 HydrophobicContact CG-CD 4.04Å; F95-K121 HydrophobicContact CG-CG 4.34Å; F95-H123 HydrophobicContact CE2-CB 4.17Å; F95-H123 AromaticContact CE2-CD2 3.88Å; F95-H123 HydrophobicContact CZ-CB 4.06Å; F95-H123 AromaticContact CZ-CD2 3.27Å; F95-H123 WeakPolarHBondContact CZ-CD2 3.42Å; F95-H123 AromaticContact CZ-CG 3.81Å; F95-W184 HydrophobicContact CE1-CH2 4.38Å; F95-W184 AromaticContact CE1-CZ2 3.98Å; F95-W184 HydrophobicContact CE1-CZ2 3.98Å; F95-W184 HydrophobicContact CZ-CH2 4.24Å; F95-W184 AromaticContact CZ-CZ2 3.52Å; F95-W184 HydrophobicContact CZ-CZ2 3.52Å
96	L	98.8	Very high	96.3	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.8	-54.9	-167.9	176.3	64.3	0	0	0	114.1	F48 P94 L108 L111 I120 K121 L124 P130 F133	F48-L96 HydrophobicContact CB-CD1 4.31Å; F48-L96 HydrophobicContact CD1-CD1 3.65Å; F48-L96 HydrophobicContact CD2-CD1 4.28Å; F48-L96 HydrophobicContact CE1-CD1 3.96Å; F48-L96 HydrophobicContact CG-CD1 3.82Å; F48-L96 HydrophobicContact CZ-CD1 4.39Å; P94-L96 PolarHBondContact O-N 2.84Å; L96-L108 HydrophobicContact CD1-CD2 3.87Å; L96-L111 HydrophobicContact CD1-CD1 3.81Å; L96-I120 HydrophobicContact CB-CG2 3.86Å; L96-I120 HydrophobicContact CD1-CG2 4.44Å; L96-K121 WeakPolarHBondContact CB-O 3.18Å; L96-K121 PolarHBondContact N-O 3.26Å; L96-L124 HydrophobicContact CD2-CD1 4.42Å; L96-P130 HydrophobicContact CD2-CG 4.01Å; L96-F133 HydrophobicContact CD2-CE2 3.88Å; L96-F133 HydrophobicContact CD2-CZ 4.41Å
97	E	98.7	Very high	96.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-5.4	-173.1	71.2	-93.6	-147.7	0	0	114.4	I38 I45 F95 C99 T122 H123 L124 W184	I38-E97 HydrophobicContact CD1-CG 4.05Å; I38-E97 WeakPolarHBondContact CG1-O 3.19Å; I38-E97 HydrophobicContact CG2-CB 3.99Å; I38-E97 HydrophobicContact CG2-CG 4.24Å; I45-E97 HydrophobicContact CD1-CB 4.06Å; I45-E97 HydrophobicContact CG2-CB 3.99Å; F95-E97 VanDerWaalsContact C-N 3.32Å; F95-E97 WeakPolarHBondContact CD2-OE2 3.46Å; F95-E97 HydrophobicContact CE2-CG 4.05Å; F95-E97 WeakPolarHBondContact CE2-OE1 3.45Å; F95-E97 WeakPolarHBondContact CE2-OE2 3.48Å; F95-E97 HydrophobicContact CZ-CG 4.36Å; F95-E97 PolarHBondContact O-N 3.22Å; F95-E97 VanDerWaalsContact O-N 3.1Å; E97-C99 PolarHBondContact O-N 3.41Å; E97-T122 PolarHBondContact OE1-OG1 3.21Å; E97-T122 WeakPolarHBondContact OE2-CA 3.31Å; E97-T122 WeakPolarHBondContact OE2-CB 3.38Å; E97-T122 PolarHBondContact OE2-OG1 3.1Å; E97-H123 WeakPolarHBondContact OE1-CA 3.41Å; E97-H123 PolarHBondContact OE1-N 3.37Å; E97-L124 HydrophobicContact CB-CD1 4.13Å; E97-L124 HydrophobicContact CB-CD2 4.18Å; E97-L124 HydrophobicContact CB-CG 4.2Å; E97-L124 HydrophobicContact CG-CD2 4.05Å; E97-L124 HydrophobicContact CG-CG 4.13Å; E97-L124 PolarHBondContact OE1-N 3.13Å; E97-W184 PolarHBondContact OE1-NE1 2.86Å
98	I	97.4	Very high	96.5	Very high	26 Å²	26	21 Å²	21	13%	0.133	13%	0.13	C	C	.	.			trans	-68.4	123	-173.9	-158.1	63.5	0	0	0	110.3	M35 I38 F95 S106 G107	M35-I98 HydrophobicContact CE-CD1 3.71Å; I38-I98 HydrophobicContact CD1-CD1 4.44Å; F95-I98 HydrophobicContact CB-CB 4Å; F95-I98 HydrophobicContact CB-CG2 3.8Å; F95-I98 HydrophobicContact CD1-CB 3.65Å; F95-I98 HydrophobicContact CD1-CD1 4.1Å; F95-I98 HydrophobicContact CD1-CG1 4.06Å; F95-I98 HydrophobicContact CD1-CG2 4.3Å; F95-I98 HydrophobicContact CE1-CB 4.32Å; F95-I98 HydrophobicContact CE1-CD1 4.07Å; F95-I98 HydrophobicContact CG-CB 3.91Å; F95-I98 HydrophobicContact CG-CG2 4.29Å; F95-I98 VanDerWaalsContact O-CG2 3.27Å; F95-I98 WeakPolarHBondContact O-CG2 3.38Å; F95-I98 PolarHBondContact O-N 3.48Å; I98-S106 CarbonylContact O-C 3.57Å; I98-S106 WeakPolarHBondContact O-CA 3.37Å; I98-S106 WeakPolarHBondContact O-CB 3.41Å; I98-G107 PolarHBondContact O-N 3.46Å
99	C	96.4	Very high	96.5	Very high	10 Å²	10	23.2 Å²	23.2	7%	0.068	14%	0.14	C	C	.	.			trans	-127.3	138.5	171.5	-63.7	0	0	0	0	107.5	H37 N41 E97	H37-C99 HydrophobicContact CB-CB 4.11Å; H37-C99 WeakPolarHBondContact CB-O 3.35Å; H37-C99 VanDerWaalsContact O-CB 3.27Å; H37-C99 WeakPolarHBondContact O-CB 3.34Å; N41-C99 HydrophobicContact CB-CB 4.46Å; E97-C99 PolarHBondContact O-N 3.41Å
100	S	93.6	Very high	96.6	Very high	30 Å²	30	24.5 Å²	24.5	21%	0.21	15%	0.146	C	C	.	.			trans	-138	162.2	-175.3	-66.2	0	0	0	0	109.9
101	P	94.7	Very high	96.7	Very high	6 Å²	6	23.7 Å²	23.7	4%	0.039	14%	0.141	C	C	.	.	S	Bend	trans	-54.8	141.4	171.8	-25.4	33.6	0	0	0	112.1	I21 F24 I104	I21-P101 HydrophobicContact CD1-CG 4.38Å; F24-P101 HydrophobicContact CE1-CG 4.25Å; F24-P101 HydrophobicContact CZ-CG 3.92Å; P101-I104 WeakPolarHBondContact O-CB 3.29Å; P101-I104 WeakPolarHBondContact O-CG1 3.42Å; P101-I104 PolarHBondContact O-N 3.06Å
102	P	93.8	Very high	96.7	Very high	110 Å²	110	27.1 Å²	27.1	71%	0.714	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	150.9	175.6	27.3	-34.7	0	0	0	110.9
103	P	95	Very high	96.7	Very high	55 Å²	55	33.2 Å²	33.2	36%	0.357	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	cis	-92.4	21.4	5.3	37.5	-36.7	0	0	0	114.2	L8 A13 K16 P105	L8-P103 HydrophobicContact CD1-CB 4.29Å; L8-P103 HydrophobicContact CD1-CG 3.89Å; A13-P103 HydrophobicContact CB-CG 4.44Å; K16-P103 HydrophobicContact CB-CG 4.15Å; K16-P103 HydrophobicContact CD-CG 4.01Å; K16-P103 HydrophobicContact CG-CG 4.11Å; P103-P105 WeakPolarHBondContact O-CD 3.15Å
104	I	94.9	Very high	96.6	Very high	9 Å²	9	36 Å²	36	5%	0.046	20%	0.198	C	C	.	.	S	Bend	trans	-65	123.2	177.9	-57.1	166.2	0	0	0	108.6	Y10 I14 A17 I21 P101	Y10-I104 HydrophobicContact CE2-CG2 4.09Å; I14-I104 HydrophobicContact CB-CD1 4.34Å; I14-I104 HydrophobicContact CB-CG1 4.41Å; I14-I104 HydrophobicContact CG1-CD1 3.84Å; I14-I104 HydrophobicContact CG1-CG1 3.85Å; I14-I104 HydrophobicContact CG1-CG2 4.29Å; A17-I104 HydrophobicContact CB-CD1 3.66Å; A17-I104 HydrophobicContact CB-CG1 3.77Å; I21-I104 HydrophobicContact CD1-CD1 3.86Å; P101-I104 WeakPolarHBondContact O-CB 3.29Å; P101-I104 WeakPolarHBondContact O-CG1 3.42Å; P101-I104 PolarHBondContact O-N 3.06Å
105	P	95.1	Very high	96.6	Very high	29 Å²	29	43 Å²	43	19%	0.188	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-66.6	139.2	178.5	28.1	-33.7	0	0	0	110.3	Y10 P103 D109 L110	Y10-P105 HydrophobicContact CD2-CG 3.67Å; Y10-P105 HydrophobicContact CE2-CG 3.85Å; P103-P105 WeakPolarHBondContact O-CD 3.15Å; P105-D109 HydrophobicContact CB-CB 4.05Å; P105-L110 HydrophobicContact CB-CD2 4.15Å; P105-L110 HydrophobicContact CB-CG 4.32Å; P105-L110 HydrophobicContact CG-CD2 4.06Å; P105-L110 HydrophobicContact CG-CG 4.44Å
106	S	97.3	Very high	96.5	Very high	18 Å²	18	44.3 Å²	44.3	13%	0.126	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-70.8	166.7	171.2	68.7	0	0	0	0	111.3	I98 L108 D109 L110	I98-S106 CarbonylContact O-C 3.57Å; I98-S106 WeakPolarHBondContact O-CA 3.37Å; I98-S106 WeakPolarHBondContact O-CB 3.41Å; S106-L108 PolarHBondContact O-N 3.47Å; S106-L108 PolarHBondContact OG-N 2.82Å; S106-D109 WeakPolarHBondContact CB-OD2 3.48Å; S106-D109 PolarHBondContact N-OD2 3.37Å; S106-D109 PolarHBondContact O-N 3.27Å; S106-D109 PolarHBondContact OG-N 3.06Å; S106-D109 PolarHBondContact OG-OD2 2.89Å; S106-L110 PolarHBondContact O-N 3.36Å
107	G	97.9	Very high	96.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-55.6	-40.9	170.3	0	0	0	0	0	112.3	F95 I98 L110 L111	F95-G107 VanDerWaalsContact O-CA 3.3Å; F95-G107 WeakPolarHBondContact O-CA 3.34Å; I98-G107 PolarHBondContact O-N 3.46Å; G107-L110 PolarHBondContact O-N 3.4Å; G107-L111 WeakPolarHBondContact O-CB 3.35Å; G107-L111 VanDerWaalsContact O-CG 3.24Å; G107-L111 WeakPolarHBondContact O-CG 3.4Å; G107-L111 PolarHBondContact O-N 2.78Å
108	L	98.1	Very high	96.3	Very high	19 Å²	19	50.2 Å²	50.2	10%	0.099	28%	0.282	C	S	.	.	H	α-helix	trans	-66.8	-39.4	177.9	-59.5	-176.3	0	0	0	112.2	I45 F48 L96 S106 L110 L111 N112	I45-L108 HydrophobicContact CG1-CD1 4.13Å; F48-L108 HydrophobicContact CB-CD2 4.26Å; F48-L108 HydrophobicContact CD2-CD2 3.66Å; F48-L108 HydrophobicContact CE2-CD2 4.31Å; F48-L108 HydrophobicContact CG-CD2 4.15Å; L96-L108 HydrophobicContact CD1-CD2 3.87Å; S106-L108 PolarHBondContact O-N 3.47Å; S106-L108 PolarHBondContact OG-N 2.82Å; L108-L110 VanDerWaalsContact C-N 3.27Å; L108-L110 PolarHBondContact O-N 2.99Å; L108-L111 HydrophobicContact CD2-CD1 4.43Å; L108-L111 PolarHBondContact O-N 2.71Å; L108-N112 WeakPolarHBondContact O-CB 3.44Å; L108-N112 PolarHBondContact O-N 3.45Å; L108-N112 PolarHBondContact O-ND2 3.48Å
109	D	97.2	Very high	96.4	Very high	76 Å²	76	49.4 Å²	49.4	41%	0.406	28%	0.278	S	S	.	.	H	α-helix	trans	-60.1	-39.9	176.6	-63.6	-43.1	0	0	0	111.7	P105 S106 K113	P105-D109 HydrophobicContact CB-CB 4.05Å; S106-D109 WeakPolarHBondContact CB-OD2 3.48Å; S106-D109 PolarHBondContact N-OD2 3.37Å; S106-D109 PolarHBondContact O-N 3.27Å; S106-D109 PolarHBondContact OG-N 3.06Å; S106-D109 PolarHBondContact OG-OD2 2.89Å; D109-K113 WeakPolarHBondContact O-CG 3.42Å
110	L	97.1	Very high	96.5	Very high	27 Å²	27	49 Å²	49	14%	0.141	28%	0.275	C	S	.	.	H	α-helix	trans	-69.4	-46.7	175.4	-63.1	177.8	0	0	0	111.2	Y10 P94 P105 S106 G107 L108 N112 K113 M114	Y10-L110 HydrophobicContact CE2-CD1 4.47Å; P94-L110 HydrophobicContact CB-CB 3.93Å; P94-L110 HydrophobicContact CB-CD1 4.3Å; P94-L110 HydrophobicContact CG-CB 3.74Å; P94-L110 HydrophobicContact CG-CD1 4.4Å; P105-L110 HydrophobicContact CB-CD2 4.15Å; P105-L110 HydrophobicContact CB-CG 4.32Å; P105-L110 HydrophobicContact CG-CD2 4.06Å; P105-L110 HydrophobicContact CG-CG 4.44Å; S106-L110 PolarHBondContact O-N 3.36Å; G107-L110 PolarHBondContact O-N 3.4Å; L108-L110 VanDerWaalsContact C-N 3.27Å; L108-L110 PolarHBondContact O-N 2.99Å; L110-N112 VanDerWaalsContact C-N 3.29Å; L110-N112 PolarHBondContact O-N 2.99Å; L110-K113 PolarHBondContact O-N 2.91Å; L110-K113 VanDerWaalsContact O-N 3.12Å; L110-M114 WeakPolarHBondContact O-CG 3.23Å; L110-M114 PolarHBondContact O-N 2.78Å
111	L	98	Very high	96.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.5	-32.5	-178.9	-71.6	167.6	0	0	0	113.4	F48 P94 L96 G107 L108 K113 M114 R118 I120	F48-L111 HydrophobicContact CE2-CB 4.12Å; F48-L111 HydrophobicContact CE2-CD1 3.99Å; F48-L111 HydrophobicContact CZ-CB 4.44Å; F48-L111 HydrophobicContact CZ-CD1 3.94Å; P94-L111 HydrophobicContact CB-CD1 4.46Å; P94-L111 HydrophobicContact CB-CD2 3.88Å; P94-L111 HydrophobicContact CB-CG 3.78Å; P94-L111 HydrophobicContact CG-CD2 3.9Å; P94-L111 HydrophobicContact CG-CG 4.15Å; L96-L111 HydrophobicContact CD1-CD1 3.81Å; G107-L111 WeakPolarHBondContact O-CB 3.35Å; G107-L111 VanDerWaalsContact O-CG 3.24Å; G107-L111 WeakPolarHBondContact O-CG 3.4Å; G107-L111 PolarHBondContact O-N 2.78Å; L108-L111 HydrophobicContact CD2-CD1 4.43Å; L108-L111 PolarHBondContact O-N 2.71Å; L111-K113 VanDerWaalsContact C-N 3.25Å; L111-K113 PolarHBondContact O-N 3.49Å; L111-M114 PolarHBondContact O-N 3.44Å; L111-R118 HydrophobicContact CD2-CB 4.4Å; L111-R118 PolarHBondContact O-NH1 3.18Å; L111-I120 HydrophobicContact CD1-CD1 4.48Å; L111-I120 HydrophobicContact CD1-CG2 4.17Å; L111-I120 HydrophobicContact CD2-CD1 3.86Å; L111-I120 HydrophobicContact CD2-CG1 3.72Å; L111-I120 HydrophobicContact CD2-CG2 4.4Å
112	N	96.1	Very high	97	Very high	119 Å²	119	48.1 Å²	48.1	64%	0.636	27%	0.267	S	S	*	.	H	α-helix	trans	-71.3	-20	177.6	-72.6	-22.4	0	0	0	113	L108 L110	L108-N112 WeakPolarHBondContact O-CB 3.44Å; L108-N112 PolarHBondContact O-N 3.45Å; L108-N112 PolarHBondContact O-ND2 3.48Å; L110-N112 VanDerWaalsContact C-N 3.29Å; L110-N112 PolarHBondContact O-N 2.99Å
113	K	95.6	Very high	97.2	Very high	135 Å²	135	43.5 Å²	43.5	59%	0.587	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-6.8	176.1	-66.4	175.1	180	-179.3	0	113	E7 D109 L110 L111	E7-K113 IonicContact OE1-NZ 2.8Å; E7-K113 PolarHBondContact OE1-NZ 3.01Å; D109-K113 WeakPolarHBondContact O-CG 3.42Å; L110-K113 PolarHBondContact O-N 2.91Å; L110-K113 VanDerWaalsContact O-N 3.12Å; L111-K113 VanDerWaalsContact C-N 3.25Å; L111-K113 PolarHBondContact O-N 3.49Å
114	M	96.6	Very high	97.4	Very high	60 Å²	60	40.9 Å²	40.9	30%	0.296	22%	0.219	S	C	.	.	S	Bend	trans	-101.5	140	-177.3	-67.9	175.4	75.5	0	0	111.4	P94 L110 L111 R118	P94-M114 HydrophobicContact CG-SD 3.45Å; P94-M114 WeakPolarHBondContact CG-SD 3.26Å; L110-M114 WeakPolarHBondContact O-CG 3.23Å; L110-M114 PolarHBondContact O-N 2.78Å; L111-M114 PolarHBondContact O-N 3.44Å; M114-R118 HydrophobicContact CB-CG 3.99Å
115	N	96.7	Very high	97.6	Very high	146 Å²	146	40.7 Å²	40.7	78%	0.781	22%	0.218	S	C	*	.	P	Polyproline II helix	trans	-82.5	142.4	169.6	-65.1	-41.3	0	0	0	110.4
116	P	96.8	Very high	97.7	Very high	56 Å²	56	40.3 Å²	40.3	36%	0.364	21%	0.214	S	C	.	.	S	Bend	trans	-59.3	152	165.8	-23	34.5	0	0	0	112.9	D51 S53	D51-P116 HydrophobicContact CB-CB 3.66Å; D51-P116 HydrophobicContact CB-CG 3.5Å; D51-P116 VanDerWaalsContact CB-CG 3.5Å; S53-P116 WeakPolarHBondContact OG-CB 3.24Å
117	P	96.6	Very high	97.8	Very high	100 Å²	100	44.3 Å²	44.3	65%	0.649	23%	0.23	S	C	*	.	S	Bend	cis	-74.6	131.2	-3	29.7	-34.2	0	0	0	112.4	S53	S53-P117 VanDerWaalsContact O-CB 3.23Å; S53-P117 WeakPolarHBondContact O-CB 3.46Å; S53-P117 WeakPolarHBondContact OG-CA 3.47Å
118	R	98.3	Very high	97.8	Very high	23 Å²	23	44.4 Å²	44.4	9%	0.087	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-101	143.4	178.5	-57.4	168.5	-68.3	-169.6	-0.6	111	D54 L55 L111 M114 I120	D54-R118 WeakPolarHBondContact OD1-CB 3.41Å; D54-R118 WeakPolarHBondContact OD1-CG 3.38Å; D54-R118 IonicContact OD1-CZ 2.67Å; D54-R118 PolarHBondContact OD1-N 3.28Å; D54-R118 IonicContact OD1-NE 3.53Å; D54-R118 PolarHBondContact OD1-NE 3.03Å; D54-R118 IonicContact OD1-NH2 3.62Å; D54-R118 IonicContact OD2-CZ 3.52Å; D54-R118 IonicContact OD2-NE 3.58Å; D54-R118 PolarHBondContact OD2-NE 3.27Å; D54-R118 VanDerWaalsContact OD2-NE 3.16Å; D54-R118 IonicContact OD2-NH2 3.66Å; D54-R118 PolarHBondContact OD2-NH2 3.39Å; L55-R118 PolarHBondContact N-O 2.96Å; L111-R118 HydrophobicContact CD2-CB 4.4Å; L111-R118 PolarHBondContact O-NH1 3.18Å; M114-R118 HydrophobicContact CB-CG 3.99Å; R118-I120 HydrophobicContact CB-CD1 4.19Å; R118-I120 HydrophobicContact CB-CG1 3.91Å
119	L	98.5	Very high	97.8	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.052	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	113.3	167	-171.2	53.8	0	0	0	109.1	L55 I57 I72 S93	L55-L119 HydrophobicContact CB-CD1 4.01Å; L55-L119 HydrophobicContact CD2-CD1 3.65Å; L55-L119 HydrophobicContact CG-CD1 3.75Å; I57-L119 HydrophobicContact CD1-CD1 3.51Å; I57-L119 HydrophobicContact CD1-CD2 4.07Å; I57-L119 HydrophobicContact CD1-CG 3.84Å; I57-L119 HydrophobicContact CG1-CD1 3.83Å; I72-L119 HydrophobicContact CB-CD2 4.17Å; I72-L119 HydrophobicContact CG2-CD1 3.89Å; I72-L119 HydrophobicContact CG2-CD2 3.79Å; S93-L119 WeakPolarHBondContact CA-O 3.22Å; S93-L119 VanDerWaalsContact OG-CD2 3.23Å; S93-L119 WeakPolarHBondContact OG-CD2 3.32Å; S93-L119 WeakPolarHBondContact OG-CG 3.47Å
120	I	98.9	Very high	97.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.1	-170	-51.4	-175.1	0	0	0	109.3	F48 D54 L55 L56 I57 L96 L111 R118 F133	F48-I120 HydrophobicContact CE1-CD1 4.03Å; F48-I120 HydrophobicContact CZ-CD1 4.01Å; D54-I120 HydrophobicContact CB-CD1 4.03Å; L55-I120 PolarHBondContact O-N 3.23Å; L56-I120 CarbonylContact C-O 3.56Å; L56-I120 WeakPolarHBondContact CA-O 3.46Å; L56-I120 HydrophobicContact CD1-CB 4.28Å; L56-I120 HydrophobicContact CD1-CG2 4.15Å; I57-I120 PolarHBondContact N-O 2.92Å; L96-I120 HydrophobicContact CB-CG2 3.86Å; L96-I120 HydrophobicContact CD1-CG2 4.44Å; L111-I120 HydrophobicContact CD1-CD1 4.48Å; L111-I120 HydrophobicContact CD1-CG2 4.17Å; L111-I120 HydrophobicContact CD2-CD1 3.86Å; L111-I120 HydrophobicContact CD2-CG1 3.72Å; L111-I120 HydrophobicContact CD2-CG2 4.4Å; R118-I120 HydrophobicContact CB-CD1 4.19Å; R118-I120 HydrophobicContact CB-CG1 3.91Å; I120-F133 HydrophobicContact CD1-CE1 4.11Å; I120-F133 HydrophobicContact CD1-CZ 3.89Å; I120-F133 HydrophobicContact CG2-CZ 4.3Å
121	K	98.8	Very high	97.9	Very high	19 Å²	19	42.4 Å²	42.4	8%	0.083	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	143.4	173.8	168.4	-173.1	167.4	-171.7	0	110.3	I57 T65 P94 F95 L96 H123	I57-K121 CarbonylContact O-C 3.59Å; I57-K121 WeakPolarHBondContact O-CA 3.39Å; T65-K121 HydrophobicContact CG2-CD 3.82Å; T65-K121 HydrophobicContact CG2-CG 3.78Å; P94-K121 PolarHBondContact O-N 2.79Å; F95-K121 CarbonylContact C-O 3.52Å; F95-K121 HydrophobicContact CB-CD 4.27Å; F95-K121 HydrophobicContact CD2-CB 4.47Å; F95-K121 HydrophobicContact CD2-CD 4.02Å; F95-K121 HydrophobicContact CD2-CG 3.86Å; F95-K121 HydrophobicContact CE2-CD 4.48Å; F95-K121 HydrophobicContact CE2-CG 4.32Å; F95-K121 HydrophobicContact CG-CD 4.04Å; F95-K121 HydrophobicContact CG-CG 4.34Å; L96-K121 WeakPolarHBondContact CB-O 3.18Å; L96-K121 PolarHBondContact N-O 3.26Å; K121-H123 VanDerWaalsContact CE-CE1 3.41Å; K121-H123 WeakPolarHBondContact CE-CE1 3.37Å; K121-H123 WeakPolarHBondContact CE-NE2 3.26Å; K121-H123 PolarHBondContact NZ-NE2 3.17Å; K121-H123 VanDerWaalsContact NZ-NE2 3.18Å
122	T	98.9	Very high	97.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	156.3	164.1	-166.3	0	0	0	0	113.1	L56 I57 A58 T59 E97 L124 V129	L56-T122 HydrophobicContact CD1-CG2 3.67Å; L56-T122 HydrophobicContact CD2-CG2 4.16Å; L56-T122 HydrophobicContact CG-CG2 4.08Å; I57-T122 PolarHBondContact O-N 3.15Å; A58-T122 WeakPolarHBondContact CA-O 3.45Å; A58-T122 HydrophobicContact CB-CG2 3.85Å; T59-T122 PolarHBondContact N-O 3.4Å; E97-T122 PolarHBondContact OE1-OG1 3.21Å; E97-T122 WeakPolarHBondContact OE2-CA 3.31Å; E97-T122 WeakPolarHBondContact OE2-CB 3.38Å; E97-T122 PolarHBondContact OE2-OG1 3.1Å; T122-L124 WeakPolarHBondContact OG1-CB 3.29Å; T122-L124 WeakPolarHBondContact OG1-CG 3.27Å; T122-L124 PolarHBondContact OG1-N 3.39Å; T122-V129 HydrophobicContact CG2-CG2 4.32Å
123	H	98.9	Very high	98	Very high	12 Å²	12	36.8 Å²	36.8	6%	0.056	19%	0.19	C	C	.	.			trans	-117.4	9.8	166.1	-67.2	-32.7	0	0	0	111.2	T59 P61 T65 F95 E97 K121 W184 H190	T59-H123 WeakPolarHBondContact O-CA 3.47Å; T59-H123 PolarHBondContact O-ND1 3.28Å; T59-H123 PolarHBondContact OG1-CE1 3.23Å; T59-H123 PolarHBondContact OG1-ND1 3.26Å; P61-H123 HydrophobicContact CG-CB 4.16Å; T65-H123 PolarHBondContact OG1-CE1 3.5Å; F95-H123 HydrophobicContact CE2-CB 4.17Å; F95-H123 AromaticContact CE2-CD2 3.88Å; F95-H123 HydrophobicContact CZ-CB 4.06Å; F95-H123 AromaticContact CZ-CD2 3.27Å; F95-H123 WeakPolarHBondContact CZ-CD2 3.42Å; F95-H123 AromaticContact CZ-CG 3.81Å; E97-H123 WeakPolarHBondContact OE1-CA 3.41Å; E97-H123 PolarHBondContact OE1-N 3.37Å; K121-H123 VanDerWaalsContact CE-CE1 3.41Å; K121-H123 WeakPolarHBondContact CE-CE1 3.37Å; K121-H123 WeakPolarHBondContact CE-NE2 3.26Å; K121-H123 PolarHBondContact NZ-NE2 3.17Å; K121-H123 VanDerWaalsContact NZ-NE2 3.18Å; H123-W184 HydrophobicContact CB-CD2 3.77Å; H123-W184 HydrophobicContact CB-CG 3.77Å; H123-W184 HydrophobicContact CB-CZ2 4.24Å; H123-H190 PolarHBondContact O-NE2 2.86Å
124	L	98.9	Very high	98.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.			trans	-65	134.8	175.9	-64.2	174.6	0	0	0	109.9	L34 W42 I45 L96 E97 T122 L128 V129 H190 Y194	L34-L124 HydrophobicContact CD1-CD2 4.34Å; L34-L124 HydrophobicContact CD2-CD2 4.35Å; W42-L124 HydrophobicContact CH2-CD1 4.02Å; W42-L124 HydrophobicContact CH2-CD2 3.93Å; W42-L124 HydrophobicContact CZ3-CD1 4.14Å; W42-L124 HydrophobicContact CZ3-CD2 3.72Å; I45-L124 HydrophobicContact CG2-CD1 4.21Å; L96-L124 HydrophobicContact CD2-CD1 4.42Å; E97-L124 HydrophobicContact CB-CD1 4.13Å; E97-L124 HydrophobicContact CB-CD2 4.18Å; E97-L124 HydrophobicContact CB-CG 4.2Å; E97-L124 HydrophobicContact CG-CD2 4.05Å; E97-L124 HydrophobicContact CG-CG 4.13Å; E97-L124 PolarHBondContact OE1-N 3.13Å; T122-L124 WeakPolarHBondContact OG1-CB 3.29Å; T122-L124 WeakPolarHBondContact OG1-CG 3.27Å; T122-L124 PolarHBondContact OG1-N 3.39Å; L124-L128 HydrophobicContact CB-CB 4.25Å; L124-L128 WeakPolarHBondContact CD1-O 3.4Å; L124-L128 HydrophobicContact CD2-CB 4.49Å; L124-V129 HydrophobicContact CB-CG2 4.07Å; L124-H190 PolarHBondContact O-NE2 3.05Å; L124-Y194 PolarHBondContact O-OH 3.05Å
125	P	98.8	Very high	98.2	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.032	18%	0.181	C	C	.	.			trans	-62.3	153.8	169.4	28.9	-34.3	0	0	0	109.2	V32 Q127 L128 V129	V32-P125 HydrophobicContact CG1-CG 4.1Å; V32-P125 HydrophobicContact CG2-CG 3.88Å; P125-Q127 VanDerWaalsContact C-N 3.26Å; P125-Q127 PolarHBondContact O-N 2.89Å; P125-L128 HydrophobicContact CG-CB 4.1Å; P125-L128 HydrophobicContact CG-CD1 3.94Å; P125-L128 HydrophobicContact CG-CG 3.97Å; P125-L128 WeakPolarHBondContact O-CA 3.49Å; P125-L128 PolarHBondContact O-N 3.46Å; P125-V129 PolarHBondContact O-N 2.92Å
126	F	98.6	Very high	98.2	Very high	22 Å²	22	31.1 Å²	31.1	10%	0.096	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-47.9	-45.6	-167.3	175.7	-89.6	0	0	0	114	L128 V129 W134 Y194 E197 K201 I203	F126-L128 PolarHBondContact O-N 3.35Å; F126-V129 PolarHBondContact O-N 3.16Å; F126-W134 AromaticContact CD2-CE2 3.97Å; F126-W134 HydrophobicContact CD2-CH2 4.15Å; F126-W134 AromaticContact CD2-CZ2 3.57Å; F126-W134 HydrophobicContact CD2-CZ2 3.57Å; F126-W134 AromaticContact CE2-CD2 3.99Å; F126-W134 HydrophobicContact CE2-CD2 3.99Å; F126-W134 AromaticContact CE2-CE2 3.5Å; F126-W134 VanDerWaalsContact CE2-CE2 3.5Å; F126-W134 HydrophobicContact CE2-CE3 4.44Å; F126-W134 HydrophobicContact CE2-CH2 4.03Å; F126-W134 AromaticContact CE2-CZ2 3.5Å; F126-W134 HydrophobicContact CE2-CZ2 3.5Å; F126-W134 VanDerWaalsContact CE2-CZ2 3.5Å; F126-W134 HydrophobicContact CE2-CZ3 4.47Å; F126-W134 AromaticContact CE2-NE1 3.85Å; F126-W134 HydrophobicContact CG-CZ2 4.45Å; F126-W134 HydrophobicContact CZ-CD2 4.28Å; F126-W134 AromaticContact CZ-CE2 3.92Å; F126-W134 HydrophobicContact CZ-CG 4.38Å; F126-W134 HydrophobicContact CZ-CZ2 4.34Å; F126-W134 AromaticContact CZ-NE1 3.81Å; F126-Y194 HydrophobicContact CB-CD1 4.5Å; F126-Y194 HydrophobicContact CB-CD2 4.02Å; F126-Y194 HydrophobicContact CB-CE1 4.44Å; F126-Y194 HydrophobicContact CB-CE2 3.97Å; F126-Y194 HydrophobicContact CB-CG 4.3Å; F126-Y194 HydrophobicContact CD2-CD1 4.16Å; F126-Y194 HydrophobicContact CD2-CE1 4.19Å; F126-Y194 VanDerWaalsContact N-CE2 3.32Å; F126-E197 HydrophobicContact CD1-CB 4.36Å; F126-E197 HydrophobicContact CD1-CG 3.6Å; F126-E197 HydrophobicContact CD2-CB 3.87Å; F126-E197 HydrophobicContact CD2-CG 4.02Å; F126-E197 HydrophobicContact CE1-CB 4.06Å; F126-E197 HydrophobicContact CE1-CG 3.35Å; F126-E197 HydrophobicContact CE2-CB 3.52Å; F126-E197 HydrophobicContact CE2-CG 3.79Å; F126-E197 HydrophobicContact CG-CB 4.27Å; F126-E197 HydrophobicContact CG-CG 3.93Å; F126-E197 HydrophobicContact CZ-CB 3.61Å; F126-E197 HydrophobicContact CZ-CG 3.44Å; F126-E197 VanDerWaalsContact CZ-CG 3.44Å; F126-E197 VanDerWaalsContact CZ-OE2 3.29Å; F126-E197 WeakPolarHBondContact CZ-OE2 3.34Å; F126-K201 HydrophobicContact CE2-CG 4.05Å; F126-K201 HydrophobicContact CZ-CG 3.93Å; F126-I203 HydrophobicContact CD2-CD1 4.33Å; F126-I203 HydrophobicContact CE2-CD1 4.06Å
127	Q	98.1	Very high	98.2	Very high	101 Å²	101	36.1 Å²	36.1	47%	0.472	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-68	-13.5	-178.3	74.1	-77.6	8.7	0	0	114.4	P125	P125-Q127 VanDerWaalsContact C-N 3.26Å; P125-Q127 PolarHBondContact O-N 2.89Å
128	L	98.8	Very high	98.3	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-106	-7.7	179.3	-66	-164.4	0	0	0	113.2	R30 V32 W42 W46 L124 P125 F126	R30-L128 HydrophobicContact CB-CD2 4.13Å; R30-L128 HydrophobicContact CG-CD2 4.45Å; V32-L128 HydrophobicContact CB-CD1 3.63Å; V32-L128 HydrophobicContact CG1-CD1 4.11Å; V32-L128 HydrophobicContact CG2-CD1 3.55Å; V32-L128 HydrophobicContact CG2-CG 4.34Å; W42-L128 HydrophobicContact CH2-CB 3.83Å; W42-L128 HydrophobicContact CH2-CD1 4.29Å; W42-L128 HydrophobicContact CH2-CG 4.45Å; W42-L128 WeakPolarHBondContact CH2-O 3.43Å; W42-L128 HydrophobicContact CZ2-CB 4.15Å; W42-L128 HydrophobicContact CZ2-CD1 4.5Å; W42-L128 HydrophobicContact CZ2-CD2 4.1Å; W42-L128 HydrophobicContact CZ2-CG 4.48Å; W46-L128 WeakPolarHBondContact CZ3-O 3.31Å; L124-L128 HydrophobicContact CB-CB 4.25Å; L124-L128 WeakPolarHBondContact CD1-O 3.4Å; L124-L128 HydrophobicContact CD2-CB 4.49Å; P125-L128 HydrophobicContact CG-CB 4.1Å; P125-L128 HydrophobicContact CG-CD1 3.94Å; P125-L128 HydrophobicContact CG-CG 3.97Å; P125-L128 WeakPolarHBondContact O-CA 3.49Å; P125-L128 PolarHBondContact O-N 3.46Å; F126-L128 PolarHBondContact O-N 3.35Å
129	V	98.8	Very high	98.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-64.7	136.2	169.4	177.4	0	0	0	0	109.4	W46 L56 T122 L124 P125 F126 L131 F133 W134 Y194	W46-V129 WeakPolarHBondContact CZ3-O 3.33Å; L56-V129 HydrophobicContact CD2-CG1 3.78Å; T122-V129 HydrophobicContact CG2-CG2 4.32Å; L124-V129 HydrophobicContact CB-CG2 4.07Å; P125-V129 PolarHBondContact O-N 2.92Å; F126-V129 PolarHBondContact O-N 3.16Å; V129-L131 PolarHBondContact O-N 2.92Å; V129-F133 HydrophobicContact CG1-CB 4.1Å; V129-F133 HydrophobicContact CG1-CD2 3.57Å; V129-F133 HydrophobicContact CG1-CE2 4.31Å; V129-F133 HydrophobicContact CG1-CG 4.06Å; V129-W134 HydrophobicContact CB-CH2 4.45Å; V129-W134 HydrophobicContact CB-CZ2 3.51Å; V129-W134 HydrophobicContact CG1-CH2 4.06Å; V129-W134 HydrophobicContact CG1-CZ2 3.47Å; V129-W134 VanDerWaalsContact CG1-CZ2 3.47Å; V129-W134 HydrophobicContact CG2-CZ2 3.82Å; V129-Y194 WeakPolarHBondContact CG2-OH 3.4Å
130	P	98.6	Very high	98.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.151	C	C	.	.			trans	-52.6	128.7	177.9	-29	37.1	0	0	0	112.1	I45 F48 L96 G132 F133	I45-P130 WeakPolarHBondContact O-CG 3.39Å; F48-P130 HydrophobicContact CB-CB 4.41Å; F48-P130 HydrophobicContact CB-CG 4.19Å; L96-P130 HydrophobicContact CD2-CG 4.01Å; P130-G132 PolarHBondContact O-N 3.04Å; P130-F133 HydrophobicContact CB-CD2 4.22Å; P130-F133 HydrophobicContact CB-CE2 4.44Å; P130-F133 HydrophobicContact CG-CE2 4.39Å; P130-F133 WeakPolarHBondContact O-CD2 3.32Å; P130-F133 PolarHBondContact O-N 3.04Å
131	L	97.3	Very high	98.4	Very high	81 Å²	81	32.3 Å²	32.3	42%	0.424	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-29	-170.6	-64.7	176.9	0	0	0	113.8	W46 V129 F133 W134 E135	W46-L131 HydrophobicContact CH2-CD1 4.47Å; W46-L131 HydrophobicContact CH2-CD2 4.01Å; W46-L131 HydrophobicContact CH2-CG 3.87Å; W46-L131 HydrophobicContact CZ2-CD1 3.96Å; W46-L131 HydrophobicContact CZ2-CD2 4.32Å; W46-L131 HydrophobicContact CZ2-CG 3.79Å; V129-L131 PolarHBondContact O-N 2.92Å; L131-F133 PolarHBondContact O-N 3.01Å; L131-F133 VanDerWaalsContact O-N 3.13Å; L131-W134 PolarHBondContact O-N 3.17Å; L131-E135 WeakPolarHBondContact O-CG 3.45Å; L131-E135 PolarHBondContact O-N 3.29Å
132	G	97.8	Very high	98.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-55.9	-29.4	178.6	0	0	0	0	0	113.8	P130 W134 N136	P130-G132 PolarHBondContact O-N 3.04Å; G132-W134 VanDerWaalsContact C-N 3.26Å; G132-W134 PolarHBondContact O-N 2.83Å; G132-N136 WeakPolarHBondContact O-CB 3.33Å; G132-N136 PolarHBondContact O-N 3.02Å
133	F	98.6	Very high	98.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-38.9	175.3	-78.8	-77.6	0	0	0	111.2	F48 P50 L56 L96 I120 V129 P130 L131 K137 C138	F48-F133 AromaticContact CD1-CE2 3.91Å; F48-F133 HydrophobicContact CD1-CE2 3.91Å; F48-F133 HydrophobicContact CD1-CZ 4.2Å; F48-F133 AromaticContact CE1-CE2 3.99Å; F48-F133 HydrophobicContact CE1-CE2 3.99Å; F48-F133 AromaticContact CE1-CZ 3.79Å; F48-F133 HydrophobicContact CE1-CZ 3.79Å; P50-F133 HydrophobicContact CB-CD1 3.72Å; P50-F133 HydrophobicContact CB-CD2 4.34Å; P50-F133 HydrophobicContact CB-CE1 3.53Å; P50-F133 HydrophobicContact CB-CE2 4.19Å; P50-F133 HydrophobicContact CB-CG 4.13Å; P50-F133 HydrophobicContact CB-CZ 3.79Å; P50-F133 HydrophobicContact CG-CB 4.17Å; P50-F133 HydrophobicContact CG-CD1 3.73Å; P50-F133 HydrophobicContact CG-CD2 3.86Å; P50-F133 HydrophobicContact CG-CE1 4.02Å; P50-F133 HydrophobicContact CG-CE2 4.13Å; P50-F133 HydrophobicContact CG-CG 3.65Å; P50-F133 HydrophobicContact CG-CZ 4.21Å; P50-F133 VanDerWaalsContact CG-N 3.26Å; L56-F133 HydrophobicContact CB-CD1 3.99Å; L56-F133 HydrophobicContact CB-CE1 3.95Å; L56-F133 HydrophobicContact CD1-CD1 4.37Å; L56-F133 HydrophobicContact CD1-CE1 3.86Å; L56-F133 HydrophobicContact CD1-CE2 4.31Å; L56-F133 HydrophobicContact CD1-CZ 3.82Å; L56-F133 HydrophobicContact CD2-CD1 4.12Å; L56-F133 HydrophobicContact CD2-CD2 4.48Å; L56-F133 HydrophobicContact CD2-CE1 4.43Å; L56-F133 HydrophobicContact CD2-CG 4.14Å; L56-F133 HydrophobicContact CG-CD1 4.39Å; L56-F133 HydrophobicContact CG-CE1 4.3Å; L96-F133 HydrophobicContact CD2-CE2 3.88Å; L96-F133 HydrophobicContact CD2-CZ 4.41Å; I120-F133 HydrophobicContact CD1-CE1 4.11Å; I120-F133 HydrophobicContact CD1-CZ 3.89Å; I120-F133 HydrophobicContact CG2-CZ 4.3Å; V129-F133 HydrophobicContact CG1-CB 4.1Å; V129-F133 HydrophobicContact CG1-CD2 3.57Å; V129-F133 HydrophobicContact CG1-CE2 4.31Å; V129-F133 HydrophobicContact CG1-CG 4.06Å; P130-F133 HydrophobicContact CB-CD2 4.22Å; P130-F133 HydrophobicContact CB-CE2 4.44Å; P130-F133 HydrophobicContact CG-CE2 4.39Å; P130-F133 WeakPolarHBondContact O-CD2 3.32Å; P130-F133 PolarHBondContact O-N 3.04Å; L131-F133 PolarHBondContact O-N 3.01Å; L131-F133 VanDerWaalsContact O-N 3.13Å; F133-K137 PolarHBondContact O-N 3.3Å; F133-C138 HydrophobicContact CD1-CB 3.97Å; F133-C138 WeakPolarHBondContact O-CB 3.36Å; F133-C138 PolarHBondContact O-N 2.89Å
134	W	97.9	Very high	98.4	Very high	27 Å²	27	30.8 Å²	30.8	10%	0.102	15%	0.145	C	C	.	.	H	α-helix	trans	-83.2	-39.1	-177.9	-45.5	140.7	0	0	0	111.8	L56 F126 V129 L131 G132 K137 A140 Y194 K201	L56-W134 HydrophobicContact CD2-CH2 3.78Å; L56-W134 HydrophobicContact CD2-CZ2 4.5Å; L56-W134 HydrophobicContact CD2-CZ3 4.29Å; F126-W134 AromaticContact CD2-CE2 3.97Å; F126-W134 HydrophobicContact CD2-CH2 4.15Å; F126-W134 AromaticContact CD2-CZ2 3.57Å; F126-W134 HydrophobicContact CD2-CZ2 3.57Å; F126-W134 AromaticContact CE2-CD2 3.99Å; F126-W134 HydrophobicContact CE2-CD2 3.99Å; F126-W134 AromaticContact CE2-CE2 3.5Å; F126-W134 VanDerWaalsContact CE2-CE2 3.5Å; F126-W134 HydrophobicContact CE2-CE3 4.44Å; F126-W134 HydrophobicContact CE2-CH2 4.03Å; F126-W134 AromaticContact CE2-CZ2 3.5Å; F126-W134 HydrophobicContact CE2-CZ2 3.5Å; F126-W134 VanDerWaalsContact CE2-CZ2 3.5Å; F126-W134 HydrophobicContact CE2-CZ3 4.47Å; F126-W134 AromaticContact CE2-NE1 3.85Å; F126-W134 HydrophobicContact CG-CZ2 4.45Å; F126-W134 HydrophobicContact CZ-CD2 4.28Å; F126-W134 AromaticContact CZ-CE2 3.92Å; F126-W134 HydrophobicContact CZ-CG 4.38Å; F126-W134 HydrophobicContact CZ-CZ2 4.34Å; F126-W134 AromaticContact CZ-NE1 3.81Å; V129-W134 HydrophobicContact CB-CH2 4.45Å; V129-W134 HydrophobicContact CB-CZ2 3.51Å; V129-W134 HydrophobicContact CG1-CH2 4.06Å; V129-W134 HydrophobicContact CG1-CZ2 3.47Å; V129-W134 VanDerWaalsContact CG1-CZ2 3.47Å; V129-W134 HydrophobicContact CG2-CZ2 3.82Å; L131-W134 PolarHBondContact O-N 3.17Å; G132-W134 VanDerWaalsContact C-N 3.26Å; G132-W134 PolarHBondContact O-N 2.83Å; W134-K137 PolarHBondContact O-N 3.28Å; W134-A140 HydrophobicContact CH2-CB 4.48Å; W134-A140 HydrophobicContact CZ3-CB 4.08Å; W134-Y194 HydrophobicContact CH2-CE1 4.27Å; W134-K201 HydrophobicContact CB-CD 4.41Å
135	E	97.3	Very high	98.4	Very high	128 Å²	128	31.4 Å²	31.4	60%	0.598	15%	0.147	S	C	*	.	H	α-helix	trans	-64.1	-44	176.7	-68.6	170.1	168.7	0	0	111.5	L131 K137	L131-E135 WeakPolarHBondContact O-CG 3.45Å; L131-E135 PolarHBondContact O-N 3.29Å; E135-K137 PolarHBondContact O-N 3.4Å
136	N	97.4	Very high	98.4	Very high	67 Å²	67	31.4 Å²	31.4	36%	0.358	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-0.6	178.3	-67.4	-17.9	0	0	0	113.5	P50 P52 G132 C138	P50-N136 PolarHBondContact O-ND2 3.42Å; P52-N136 HydrophobicContact CB-CB 4.29Å; P52-N136 HydrophobicContact CG-CB 4.1Å; G132-N136 WeakPolarHBondContact O-CB 3.33Å; G132-N136 PolarHBondContact O-N 3.02Å; N136-C138 PolarHBondContact O-N 2.89Å
137	K	97.3	Very high	98.4	Very high	162 Å²	162	30.5 Å²	30.5	70%	0.704	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	34	-177.8	-53.9	179.6	-179.3	179.1	0	113.3	F133 W134 E135 N202	F133-K137 PolarHBondContact O-N 3.3Å; W134-K137 PolarHBondContact O-N 3.28Å; E135-K137 PolarHBondContact O-N 3.4Å; K137-N202 PolarHBondContact O-ND2 3.35Å
138	C	98.6	Very high	98.4	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.02	12%	0.124	C	C	.	.			trans	-51.6	143.9	174.4	-61.4	0	0	0	0	109.6	D51 F133 N136	D51-C138 PolarHBondContact O-SG 3.13Å; F133-C138 HydrophobicContact CD1-CB 3.97Å; F133-C138 WeakPolarHBondContact O-CB 3.36Å; F133-C138 PolarHBondContact O-N 2.89Å; N136-C138 PolarHBondContact O-N 2.89Å
139	K	98.8	Very high	98.4	Very high	48 Å²	48	26.4 Å²	26.4	21%	0.209	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	139.8	171.6	-73.5	-177.5	-175.7	-174.4	0	109.1	L55 L56 N202 Y225 L226 D227	L55-K139 HydrophobicContact CD1-CB 3.69Å; L55-K139 WeakPolarHBondContact CD1-O 3.47Å; L56-K139 PolarHBondContact N-O 2.62Å; K139-N202 WeakPolarHBondContact CG-ND2 3.49Å; K139-Y225 WeakPolarHBondContact CA-OH 3.47Å; K139-Y225 HydrophobicContact CB-CE1 3.97Å; K139-Y225 HydrophobicContact CD-CE1 4.3Å; K139-Y225 WeakPolarHBondContact CE-O 3.31Å; K139-Y225 HydrophobicContact CG-CE1 4.29Å; K139-Y225 PolarHBondContact NZ-O 3.24Å; K139-L226 HydrophobicContact CD-CD2 4.41Å; K139-L226 VanDerWaalsContact NZ-C 3.33Å; K139-L226 PolarHBondContact NZ-O 3.43Å; K139-D227 IonicContact NZ-OD2 3.53Å; K139-D227 PolarHBondContact NZ-OD2 3.17Å
140	A	98.9	Very high	98.4	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.8	173.9	0	0	0	0	0	110.8	L56 W134 N202 I203 L204 Y225	L56-A140 HydrophobicContact CB-CB 4.12Å; L56-A140 CarbonylContact O-C 3.55Å; L56-A140 WeakPolarHBondContact O-CA 3.21Å; W134-A140 HydrophobicContact CH2-CB 4.48Å; W134-A140 HydrophobicContact CZ3-CB 4.08Å; A140-N202 PolarHBondContact N-O 3.23Å; A140-I203 HydrophobicContact CB-CG1 4.11Å; A140-I203 CarbonylContact O-C 3.47Å; A140-I203 VanDerWaalsContact O-CA 3.28Å; A140-I203 WeakPolarHBondContact O-CA 3.48Å; A140-L204 PolarHBondContact O-N 3.4Å; A140-Y225 PolarHBondContact N-OH 2.88Å; A140-Y225 VanDerWaalsContact N-OH 3.09Å; A140-Y225 PolarHBondContact O-OH 3.42Å
141	I	98.9	Very high	98.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116.1	171.5	-64.7	170.3	0	0	0	107.1	L55 L56 I57 A58 T68 I72 V143 L204 L206 I222 Y225 L226	L55-I141 HydrophobicContact CD1-CD1 4.25Å; L55-I141 HydrophobicContact CD1-CG1 4.28Å; L56-I141 PolarHBondContact O-N 3.43Å; I57-I141 WeakPolarHBondContact CA-O 3.47Å; A58-I141 PolarHBondContact N-O 3.45Å; T68-I141 HydrophobicContact CG2-CG2 3.97Å; I72-I141 HydrophobicContact CD1-CD1 3.52Å; I72-I141 HydrophobicContact CG1-CD1 4.13Å; I141-V143 HydrophobicContact CG2-CG2 4.17Å; I141-L204 WeakPolarHBondContact CA-O 3.31Å; I141-L204 HydrophobicContact CG1-CB 4.23Å; I141-L204 HydrophobicContact CG1-CD2 4.31Å; I141-L206 HydrophobicContact CG2-CD1 3.81Å; I141-L206 HydrophobicContact CG2-CG 4.42Å; I141-I222 HydrophobicContact CD1-CG2 3.98Å; I141-Y225 HydrophobicContact CD1-CD1 4.07Å; I141-Y225 HydrophobicContact CD1-CE1 4.31Å; I141-Y225 HydrophobicContact CG1-CD1 3.82Å; I141-Y225 HydrophobicContact CG1-CE1 3.68Å; I141-L226 HydrophobicContact CD1-CD2 4.24Å
142	Y	98.9	Very high	98.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.2	172.9	-172.5	-96.3	0	0	0	110.6	A58 A144 H190 V191 Y194 L204 Y205 L206	A58-Y142 HydrophobicContact CB-CD2 3.87Å; A58-Y142 VanDerWaalsContact O-CA 3.23Å; A58-Y142 WeakPolarHBondContact O-CA 3.4Å; A58-Y142 WeakPolarHBondContact O-CD2 3.48Å; Y142-A144 HydrophobicContact CD1-CB 4.3Å; Y142-A144 HydrophobicContact CE1-CB 3.77Å; Y142-H190 AromaticContact CE2-CE1 3.66Å; Y142-H190 AromaticContact CE2-ND1 3.62Å; Y142-H190 AromaticContact CZ-ND1 3.68Å; Y142-H190 PolarHBondContact OH-ND1 3.05Å; Y142-V191 WeakPolarHBondContact OH-CA 3.4Å; Y142-V191 WeakPolarHBondContact OH-CG1 3.47Å; Y142-Y194 HydrophobicContact CD1-CG 4.4Å; Y142-Y194 AromaticContact CD2-CD1 3.38Å; Y142-Y194 HydrophobicContact CD2-CD1 3.38Å; Y142-Y194 AromaticContact CD2-CD2 3.51Å; Y142-Y194 HydrophobicContact CD2-CD2 3.51Å; Y142-Y194 AromaticContact CD2-CE1 3.82Å; Y142-Y194 HydrophobicContact CD2-CE1 3.82Å; Y142-Y194 AromaticContact CD2-CE2 3.93Å; Y142-Y194 HydrophobicContact CD2-CE2 3.93Å; Y142-Y194 AromaticContact CD2-CG 3.2Å; Y142-Y194 HydrophobicContact CD2-CG 3.2Å; Y142-Y194 AromaticContact CE2-CD1 4Å; Y142-Y194 HydrophobicContact CE2-CD1 4Å; Y142-Y194 AromaticContact CE2-CD2 3.17Å; Y142-Y194 HydrophobicContact CE2-CD2 3.17Å; Y142-Y194 HydrophobicContact CE2-CE1 4.37Å; Y142-Y194 AromaticContact CE2-CE2 3.62Å; Y142-Y194 HydrophobicContact CE2-CE2 3.62Å; Y142-Y194 AromaticContact CE2-CG 3.38Å; Y142-Y194 HydrophobicContact CE2-CG 3.38Å; Y142-Y194 AromaticContact CG-CD1 3.92Å; Y142-Y194 HydrophobicContact CG-CD1 3.92Å; Y142-Y194 HydrophobicContact CG-CD2 4.42Å; Y142-Y194 AromaticContact CG-CG 3.76Å; Y142-Y194 HydrophobicContact CG-CG 3.76Å; Y142-Y194 AromaticContact CZ-CD2 3.85Å; Y142-L204 PolarHBondContact N-O 3.38Å; Y142-Y205 HydrophobicContact CD1-CD1 4.39Å; Y142-Y205 AromaticContact CD1-CD2 3.5Å; Y142-Y205 HydrophobicContact CD1-CD2 3.5Å; Y142-Y205 VanDerWaalsContact CD1-CD2 3.5Å; Y142-Y205 HydrophobicContact CD1-CE1 4.11Å; Y142-Y205 AromaticContact CD1-CE2 3.15Å; Y142-Y205 HydrophobicContact CD1-CE2 3.15Å; Y142-Y205 HydrophobicContact CD1-CG 4.12Å; Y142-Y205 AromaticContact CD1-CZ 3.5Å; Y142-Y205 HydrophobicContact CE1-CD2 4.26Å; Y142-Y205 HydrophobicContact CE1-CE1 4.37Å; Y142-Y205 AromaticContact CE1-CE2 3.45Å; Y142-Y205 HydrophobicContact CE1-CE2 3.45Å; Y142-Y205 VanDerWaalsContact CE1-CE2 3.45Å; Y142-Y205 AromaticContact CE1-CZ 3.52Å; Y142-Y205 WeakPolarHBondContact CE1-OH 3.42Å; Y142-Y205 HydrophobicContact CG-CD2 4.17Å; Y142-Y205 HydrophobicContact CG-CE2 4.13Å; Y142-Y205 WeakPolarHBondContact O-CA 3.35Å; Y142-L206 PolarHBondContact O-N 3.02Å
143	V	98.9	Very high	98.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.6	173.1	-168.3	0	0	0	0	110.3	A58 T59 A63 T68 I141 L206 M211	A58-V143 PolarHBondContact O-N 3.36Å; A58-V143 VanDerWaalsContact O-N 3.16Å; T59-V143 WeakPolarHBondContact CB-O 3.36Å; T59-V143 HydrophobicContact CG2-CB 3.79Å; T59-V143 HydrophobicContact CG2-CG2 4.32Å; A63-V143 WeakPolarHBondContact CB-O 3.34Å; A63-V143 WeakPolarHBondContact O-CG1 3.43Å; T68-V143 HydrophobicContact CG2-CG2 4.01Å; T68-V143 WeakPolarHBondContact OG1-CG2 3.49Å; I141-V143 HydrophobicContact CG2-CG2 4.17Å; V143-L206 HydrophobicContact CG1-CB 4.47Å; V143-L206 HydrophobicContact CG2-CB 4.22Å; V143-L206 HydrophobicContact CG2-CD1 4.37Å; V143-M211 HydrophobicContact CG1-SD 3.86Å
144	A	98.9	Very high	98.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	151.4	175.7	0	0	0	0	0	110.5	Y142 V191 Y205 L206 F207 Y208 F306	Y142-A144 HydrophobicContact CD1-CB 4.3Å; Y142-A144 HydrophobicContact CE1-CB 3.77Å; A144-V191 HydrophobicContact CB-CG1 4.33Å; A144-Y205 HydrophobicContact CB-CE1 3.55Å; A144-Y205 VanDerWaalsContact CB-OH 3.24Å; A144-Y205 WeakPolarHBondContact CB-OH 3.36Å; A144-L206 PolarHBondContact N-O 2.87Å; A144-F207 HydrophobicContact CB-CD1 4.29Å; A144-F207 HydrophobicContact CB-CE1 4.4Å; A144-F207 CarbonylContact O-C 3.56Å; A144-F207 WeakPolarHBondContact O-CA 3.18Å; A144-Y208 PolarHBondContact O-N 2.68Å; A144-F306 HydrophobicContact CB-CE1 3.48Å; A144-F306 VanDerWaalsContact CB-CE1 3.48Å; A144-F306 HydrophobicContact CB-CZ 3.72Å
145	R	98.8	Very high	98.6	Very high	12 Å²	12	23.6 Å²	23.6	5%	0.045	11%	0.111	C	C	.	.			trans	-134.8	148	173.6	-175.1	176.5	-172.5	-169.9	2.8	108.7	K62 A63 A147 N150 W187 Y208 E209 E275	K62-R145 PolarHBondContact O-NH1 3.29Å; A63-R145 HydrophobicContact CB-CB 3.73Å; R145-A147 PolarHBondContact O-N 3.32Å; R145-N150 HydrophobicContact CB-CB 4.47Å; R145-W187 VanDerWaalsContact O-CZ2 3.29Å; R145-W187 WeakPolarHBondContact O-CZ2 3.2Å; R145-W187 PolarHBondContact O-NE1 2.82Å; R145-Y208 HydrophobicContact CB-CG 4.36Å; R145-Y208 HydrophobicContact CG-CD1 3.94Å; R145-Y208 HydrophobicContact CG-CG 3.97Å; R145-E209 WeakPolarHBondContact CG-OE1 3.43Å; R145-E275 PolarHBondContact NH2-O 3.41Å
146	N	98.8	Very high	98.7	Very high	5 Å²	5	20.6 Å²	20.6	3%	0.027	9%	0.094	C	C	.	.			trans	-52.8	140.5	177.2	79.1	84.1	0	0	0	111.5	K148 D149 N150 E209 F306 R307	N146-K148 VanDerWaalsContact C-N 3.31Å; N146-K148 PolarHBondContact O-N 3.13Å; N146-K148 PolarHBondContact OD1-N 3Å; N146-D149 PolarHBondContact ND2-OD2 3.46Å; N146-D149 PolarHBondContact O-N 3.29Å; N146-D149 PolarHBondContact OD1-N 2.95Å; N146-N150 VanDerWaalsContact O-CB 3.23Å; N146-N150 WeakPolarHBondContact O-CB 3.42Å; N146-N150 PolarHBondContact O-N 3.43Å; N146-E209 WeakPolarHBondContact CB-OE1 3.44Å; N146-E209 PolarHBondContact N-OE1 3.42Å; N146-E209 PolarHBondContact ND2-OE1 2.61Å; N146-F306 HydrophobicContact CB-CB 4.4Å; N146-F306 HydrophobicContact CB-CD1 4.49Å; N146-R307 VanDerWaalsContact CB-O 3.28Å; N146-R307 WeakPolarHBondContact CB-O 3.5Å; N146-R307 PolarHBondContact ND2-O 3.31Å
147	A	98.7	Very high	98.7	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.033	8%	0.082	C	C	.	.	H	α-helix	trans	-61.2	-36.9	-168.1	0	0	0	0	0	113.5	R145 N150 L151 F177 W187 F291 Y295	R145-A147 PolarHBondContact O-N 3.32Å; A147-N150 PolarHBondContact O-N 3.04Å; A147-L151 VanDerWaalsContact O-CB 3.24Å; A147-L151 WeakPolarHBondContact O-CB 3.37Å; A147-L151 PolarHBondContact O-N 3.47Å; A147-F177 HydrophobicContact CB-CE1 4.33Å; A147-W187 HydrophobicContact CB-CD2 3.72Å; A147-W187 HydrophobicContact CB-CE3 3.67Å; A147-W187 HydrophobicContact CB-CH2 3.75Å; A147-W187 HydrophobicContact CB-CZ2 3.73Å; A147-W187 HydrophobicContact CB-CZ3 3.71Å; A147-F291 HydrophobicContact CB-CE1 3.87Å; A147-F291 HydrophobicContact CB-CZ 3.62Å; A147-Y295 HydrophobicContact CB-CD2 4.26Å; A147-Y295 HydrophobicContact CB-CE2 4.16Å
148	K	98.8	Very high	98.8	Very high	15 Å²	15	10.9 Å²	10.9	7%	0.065	5%	0.049	C	C	.	.	H	α-helix	trans	-68.6	-48.5	-176.2	-64.4	-172.1	-179.7	176.1	0	112.3	N146 N150 L151 V152 W279 F283 S288 F291 D292	N146-K148 VanDerWaalsContact C-N 3.31Å; N146-K148 PolarHBondContact O-N 3.13Å; N146-K148 PolarHBondContact OD1-N 3Å; K148-N150 VanDerWaalsContact C-N 3.29Å; K148-N150 PolarHBondContact O-N 3.43Å; K148-L151 PolarHBondContact O-N 2.79Å; K148-V152 WeakPolarHBondContact O-CG2 3.19Å; K148-V152 PolarHBondContact O-N 3.23Å; K148-V152 VanDerWaalsContact O-N 3.13Å; K148-W279 HydrophobicContact CB-CB 3.69Å; K148-W279 HydrophobicContact CB-CD2 3.81Å; K148-W279 HydrophobicContact CB-CE3 4.29Å; K148-W279 HydrophobicContact CB-CG 3.53Å; K148-W279 HydrophobicContact CD-CD2 3.61Å; K148-W279 HydrophobicContact CD-CE3 3.49Å; K148-W279 VanDerWaalsContact CD-CE3 3.49Å; K148-W279 HydrophobicContact CD-CG 4.28Å; K148-W279 HydrophobicContact CD-CH2 3.94Å; K148-W279 HydrophobicContact CD-CZ2 4.05Å; K148-W279 HydrophobicContact CD-CZ3 3.66Å; K148-W279 HydrophobicContact CG-CD2 4.37Å; K148-W279 HydrophobicContact CG-CE3 4.49Å; K148-F283 HydrophobicContact CB-CE2 4.21Å; K148-F283 HydrophobicContact CB-CZ 4.28Å; K148-F283 HydrophobicContact CG-CZ 4.26Å; K148-S288 PolarHBondContact NZ-OG 3.47Å; K148-F291 HydrophobicContact CD-CD1 4.34Å; K148-F291 HydrophobicContact CG-CD1 3.79Å; K148-F291 HydrophobicContact CG-CE1 3.77Å; K148-F291 HydrophobicContact CG-CZ 4.49Å; K148-D292 WeakPolarHBondContact CE-OD1 3.49Å; K148-D292 IonicContact NZ-OD1 3.57Å; K148-D292 PolarHBondContact NZ-OD1 3.44Å; K148-D292 IonicContact NZ-OD2 3.99Å; K148-D292 PolarHBondContact NZ-OD2 2.89Å
149	D	98.9	Very high	98.8	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-66.7	-35.2	173.6	-79.3	-42.3	0	0	0	111.7	N146 S153 V276 G277 D278 W279	N146-D149 PolarHBondContact ND2-OD2 3.46Å; N146-D149 PolarHBondContact O-N 3.29Å; N146-D149 PolarHBondContact OD1-N 2.95Å; D149-S153 VanDerWaalsContact O-CB 3.26Å; D149-S153 WeakPolarHBondContact O-CB 3.42Å; D149-S153 PolarHBondContact O-N 3.07Å; D149-V276 WeakPolarHBondContact OD2-CA 3.46Å; D149-G277 PolarHBondContact OD1-N 3.01Å; D149-G277 PolarHBondContact OD2-N 3.12Å; D149-D278 PolarHBondContact OD1-N 2.97Å; D149-W279 PolarHBondContact OD1-N 3.09Å
150	N	98.7	Very high	98.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.7	-46.7	177.9	-159.9	160.7	0	0	0	110.9	Y60 P61 R145 N146 A147 K148 S153 Y154 W187	Y60-N150 WeakPolarHBondContact CD1-OD1 3.48Å; P61-N150 PolarHBondContact O-ND2 2.82Å; R145-N150 HydrophobicContact CB-CB 4.47Å; N146-N150 VanDerWaalsContact O-CB 3.23Å; N146-N150 WeakPolarHBondContact O-CB 3.42Å; N146-N150 PolarHBondContact O-N 3.43Å; A147-N150 PolarHBondContact O-N 3.04Å; K148-N150 VanDerWaalsContact C-N 3.29Å; K148-N150 PolarHBondContact O-N 3.43Å; N150-S153 PolarHBondContact O-N 3.49Å; N150-Y154 WeakPolarHBondContact O-CB 3.41Å; N150-Y154 PolarHBondContact O-N 2.97Å; N150-W187 VanDerWaalsContact OD1-CD1 3.32Å; N150-W187 PolarHBondContact OD1-NE1 2.83Å
151	L	98.8	Very high	98.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.3	-51.7	176.7	-178.2	165.5	0	0	0	111.1	A147 K148 S153 Y154 Y155 F170 Y173 I174 F177 F283 F291	A147-L151 VanDerWaalsContact O-CB 3.24Å; A147-L151 WeakPolarHBondContact O-CB 3.37Å; A147-L151 PolarHBondContact O-N 3.47Å; K148-L151 PolarHBondContact O-N 2.79Å; L151-S153 VanDerWaalsContact C-N 3.31Å; L151-S153 PolarHBondContact O-N 2.75Å; L151-Y154 WeakPolarHBondContact O-CB 3.49Å; L151-Y154 PolarHBondContact O-N 2.91Å; L151-Y155 PolarHBondContact O-N 2.92Å; L151-F170 HydrophobicContact CD2-CE2 3.59Å; L151-F170 HydrophobicContact CD2-CZ 3.82Å; L151-Y173 HydrophobicContact CD2-CD1 4.18Å; L151-I174 HydrophobicContact CD1-CB 4.44Å; L151-I174 HydrophobicContact CD1-CG1 4.26Å; L151-I174 HydrophobicContact CD1-CG2 4.32Å; L151-I174 HydrophobicContact CD2-CG1 4.07Å; L151-F177 HydrophobicContact CB-CD1 4.28Å; L151-F177 HydrophobicContact CB-CD2 3.69Å; L151-F177 HydrophobicContact CB-CE1 4.29Å; L151-F177 HydrophobicContact CB-CE2 3.7Å; L151-F177 HydrophobicContact CB-CG 4Å; L151-F177 HydrophobicContact CB-CZ 4Å; L151-F177 HydrophobicContact CD1-CB 3.69Å; L151-F177 HydrophobicContact CD1-CD1 3.69Å; L151-F177 HydrophobicContact CD1-CD2 4.13Å; L151-F177 HydrophobicContact CD1-CE1 4.33Å; L151-F177 HydrophobicContact CD1-CG 3.58Å; L151-F177 HydrophobicContact CG-CB 3.9Å; L151-F177 HydrophobicContact CG-CD1 4.2Å; L151-F177 HydrophobicContact CG-CD2 3.71Å; L151-F177 HydrophobicContact CG-CE2 4.26Å; L151-F177 HydrophobicContact CG-CG 3.68Å; L151-F283 HydrophobicContact CD1-CZ 4.05Å; L151-F283 HydrophobicContact CD2-CE2 4.43Å; L151-F283 HydrophobicContact CD2-CZ 4.24Å; L151-F291 HydrophobicContact CD1-CD2 4.19Å; L151-F291 HydrophobicContact CD1-CE2 3.69Å
152	V	98.8	Very high	98.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59.6	-45.3	178.7	167.7	0	0	0	0	110.5	K148 Y154 Y155 Y156 F170 W279 H282 F283	K148-V152 WeakPolarHBondContact O-CG2 3.19Å; K148-V152 PolarHBondContact O-N 3.23Å; K148-V152 VanDerWaalsContact O-N 3.13Å; V152-Y154 PolarHBondContact O-N 3.23Å; V152-Y155 PolarHBondContact O-N 3.32Å; V152-Y156 HydrophobicContact CG1-CD2 4.07Å; V152-Y156 HydrophobicContact CG1-CE2 4.05Å; V152-Y156 VanDerWaalsContact O-CD2 3.3Å; V152-Y156 WeakPolarHBondContact O-CD2 3.4Å; V152-Y156 PolarHBondContact O-N 3.07Å; V152-F170 HydrophobicContact CG2-CE2 3.98Å; V152-F170 HydrophobicContact CG2-CZ 3.71Å; V152-W279 HydrophobicContact CG2-CB 4.17Å; V152-H282 WeakPolarHBondContact CG1-CD2 3.5Å; V152-H282 HydrophobicContact CG2-CB 4Å; V152-F283 HydrophobicContact CG2-CD2 4.13Å; V152-F283 HydrophobicContact CG2-CE2 3.69Å
153	S	98.8	Very high	98.4	Very high	18 Å²	18	14.4 Å²	14.4	13%	0.126	7%	0.067	C	C	.	.	H	α-helix	trans	-64.6	-28.2	177.7	-169	0	0	0	0	113.2	D149 N150 L151 F157	D149-S153 VanDerWaalsContact O-CB 3.26Å; D149-S153 WeakPolarHBondContact O-CB 3.42Å; D149-S153 PolarHBondContact O-N 3.07Å; N150-S153 PolarHBondContact O-N 3.49Å; L151-S153 VanDerWaalsContact C-N 3.31Å; L151-S153 PolarHBondContact O-N 2.75Å; S153-F157 WeakPolarHBondContact O-CB 3.34Å; S153-F157 PolarHBondContact O-N 3.11Å
154	Y	98.8	Very high	98.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-76.5	-45.1	176.8	-149.9	161.2	0	0	0	110.9	Y60 P61 K62 N150 L151 V152 Y156 F157 D158 Y173 L182 P183 W184	Y60-Y154 AromaticContact CE1-CD1 3.72Å; Y60-Y154 HydrophobicContact CE1-CD1 3.72Å; Y60-Y154 AromaticContact CE1-CE1 3.85Å; Y60-Y154 HydrophobicContact CE1-CE1 3.85Å; Y60-Y154 AromaticContact CZ-CE1 3.86Å; P61-Y154 HydrophobicContact CB-CD1 4.14Å; P61-Y154 HydrophobicContact CB-CE1 3.59Å; P61-Y154 HydrophobicContact CB-CE2 4.28Å; P61-Y154 HydrophobicContact CG-CE1 3.76Å; K62-Y154 HydrophobicContact CG-CD2 4.16Å; K62-Y154 HydrophobicContact CG-CG 3.97Å; N150-Y154 WeakPolarHBondContact O-CB 3.41Å; N150-Y154 PolarHBondContact O-N 2.97Å; L151-Y154 WeakPolarHBondContact O-CB 3.49Å; L151-Y154 PolarHBondContact O-N 2.91Å; V152-Y154 PolarHBondContact O-N 3.23Å; Y154-Y156 PolarHBondContact O-N 2.88Å; Y154-F157 HydrophobicContact CD2-CD1 4.21Å; Y154-F157 HydrophobicContact CE2-CD1 4.21Å; Y154-F157 CarbonylContact O-C 3.06Å; Y154-F157 WeakPolarHBondContact O-CA 3.44Å; Y154-F157 WeakPolarHBondContact O-CB 3.33Å; Y154-F157 PolarHBondContact O-N 3.14Å; Y154-D158 WeakPolarHBondContact CD2-OD1 3.46Å; Y154-D158 WeakPolarHBondContact CE2-OD1 3.09Å; Y154-D158 PolarHBondContact O-N 3.3Å; Y154-Y173 VanDerWaalsContact C-OH 3.29Å; Y154-Y173 WeakPolarHBondContact CB-OH 3.21Å; Y154-Y173 VanDerWaalsContact CD2-OH 3.31Å; Y154-Y173 WeakPolarHBondContact CD2-OH 3.27Å; Y154-L182 HydrophobicContact CD1-CD1 4.18Å; Y154-L182 HydrophobicContact CE1-CB 4.45Å; Y154-L182 HydrophobicContact CE1-CD1 4.4Å; Y154-P183 WeakPolarHBondContact OH-CG 3.15Å; Y154-P183 PolarHBondContact OH-O 3.24Å; Y154-W184 VanDerWaalsContact OH-CZ3 3.32Å; Y154-W184 WeakPolarHBondContact OH-CZ3 3.41Å
155	Y	98.8	Very high	98.1	Very high	32 Å²	32	16.2 Å²	16.2	13%	0.125	8%	0.079	C	C	.	.	H	α-helix	trans	-51.1	-52.2	174.9	176.5	-108	0	0	0	112.7	L151 V152 F157 D158 L159 P167 G168 F170 Y173	L151-Y155 PolarHBondContact O-N 2.92Å; V152-Y155 PolarHBondContact O-N 3.32Å; Y155-F157 VanDerWaalsContact C-N 3.26Å; Y155-F157 PolarHBondContact O-N 2.83Å; Y155-D158 PolarHBondContact O-N 2.7Å; Y155-L159 HydrophobicContact CD1-CD1 4.13Å; Y155-L159 HydrophobicContact CE1-CD1 3.65Å; Y155-L159 HydrophobicContact CE1-CG 4.38Å; Y155-L159 WeakPolarHBondContact O-CG 3.45Å; Y155-L159 PolarHBondContact O-N 3.44Å; Y155-L159 VanDerWaalsContact O-N 3.12Å; Y155-P167 HydrophobicContact CD2-CB 4.07Å; Y155-P167 HydrophobicContact CE2-CB 4.06Å; Y155-G168 WeakPolarHBondContact CE2-O 3.06Å; Y155-G168 PolarHBondContact OH-O 3Å; Y155-F170 AromaticContact CD1-CD2 3.62Å; Y155-F170 HydrophobicContact CD1-CD2 3.62Å; Y155-F170 HydrophobicContact CD1-CE2 4.28Å; Y155-F170 AromaticContact CD2-CD2 3.99Å; Y155-F170 HydrophobicContact CD2-CD2 3.99Å; Y155-F170 HydrophobicContact CE1-CB 4.15Å; Y155-F170 AromaticContact CE1-CD2 3.97Å; Y155-F170 HydrophobicContact CE1-CD2 3.97Å; Y155-F170 HydrophobicContact CE1-CG 4.49Å; Y155-F170 HydrophobicContact CE2-CB 4.17Å; Y155-F170 HydrophobicContact CE2-CD2 4.29Å; Y155-F170 AromaticContact CG-CD2 3.63Å; Y155-F170 HydrophobicContact CG-CD2 3.63Å; Y155-F170 HydrophobicContact CG-CE2 4.21Å; Y155-F170 PolarHBondContact OH-N 2.72Å; Y155-Y173 AromaticContact CD2-CD1 3.91Å; Y155-Y173 HydrophobicContact CD2-CD1 3.91Å; Y155-Y173 AromaticContact CD2-CD2 3.79Å; Y155-Y173 HydrophobicContact CD2-CD2 3.79Å; Y155-Y173 HydrophobicContact CD2-CE1 4.43Å; Y155-Y173 HydrophobicContact CD2-CE2 4.33Å; Y155-Y173 AromaticContact CD2-CG 3.55Å; Y155-Y173 HydrophobicContact CD2-CG 3.55Å; Y155-Y173 HydrophobicContact CE2-CG 4.36Å; Y155-Y173 HydrophobicContact CG-CD1 4.32Å; Y155-Y173 HydrophobicContact CG-CG 4.39Å; Y155-Y173 PolarHBondContact N-OH 2.94Å
156	Y	98.8	Very high	98	Very high	64 Å²	64	21.5 Å²	21.5	25%	0.251	10%	0.104	S	C	.	.	H	α-helix	trans	-66.6	-28.2	178.1	-78.6	-74.2	0	0	0	113.5	V152 Y154 L159 M160 S268 H282	V152-Y156 HydrophobicContact CG1-CD2 4.07Å; V152-Y156 HydrophobicContact CG1-CE2 4.05Å; V152-Y156 VanDerWaalsContact O-CD2 3.3Å; V152-Y156 WeakPolarHBondContact O-CD2 3.4Å; V152-Y156 PolarHBondContact O-N 3.07Å; Y154-Y156 PolarHBondContact O-N 2.88Å; Y156-L159 HydrophobicContact CD1-CD1 3.96Å; Y156-L159 HydrophobicContact CE1-CD1 4.31Å; Y156-M160 WeakPolarHBondContact O-CG 3.37Å; Y156-M160 PolarHBondContact O-N 3.25Å; Y156-S268 WeakPolarHBondContact O-CB 3.27Å; Y156-H282 AromaticContact CE2-CE1 3.39Å; Y156-H282 WeakPolarHBondContact CE2-CE1 3.38Å; Y156-H282 AromaticContact CE2-ND1 3.63Å; Y156-H282 AromaticContact CZ-CE1 3.7Å; Y156-H282 AromaticContact CZ-ND1 3.92Å; Y156-H282 PolarHBondContact OH-CE1 3.22Å; Y156-H282 PolarHBondContact OH-ND1 2.71Å
157	F	98.6	Very high	97.9	Very high	23 Å²	23	21.4 Å²	21.4	10%	0.101	10%	0.103	C	C	.	.	H	α-helix	trans	-70.3	-39.7	173.6	-179.1	-114.7	0	0	0	111.8	K62 S153 Y154 Y155 L159 M160 N161 F263 F270	K62-F157 HydrophobicContact CD-CB 3.83Å; K62-F157 HydrophobicContact CD-CD1 3.75Å; K62-F157 HydrophobicContact CD-CD2 4.35Å; K62-F157 HydrophobicContact CD-CE1 4.35Å; K62-F157 HydrophobicContact CD-CG 3.71Å; K62-F157 HydrophobicContact CG-CB 4.46Å; K62-F157 VanDerWaalsContact NZ-CG 3.33Å; S153-F157 WeakPolarHBondContact O-CB 3.34Å; S153-F157 PolarHBondContact O-N 3.11Å; Y154-F157 HydrophobicContact CD2-CD1 4.21Å; Y154-F157 HydrophobicContact CE2-CD1 4.21Å; Y154-F157 CarbonylContact O-C 3.06Å; Y154-F157 WeakPolarHBondContact O-CA 3.44Å; Y154-F157 WeakPolarHBondContact O-CB 3.33Å; Y154-F157 PolarHBondContact O-N 3.14Å; Y155-F157 VanDerWaalsContact C-N 3.26Å; Y155-F157 PolarHBondContact O-N 2.83Å; F157-L159 VanDerWaalsContact C-N 3.3Å; F157-L159 PolarHBondContact O-N 2.86Å; F157-M160 HydrophobicContact CD2-CG 4.43Å; F157-M160 HydrophobicContact CD2-SD 3.74Å; F157-M160 HydrophobicContact CE2-SD 3.96Å; F157-M160 WeakPolarHBondContact O-CG 3.47Å; F157-M160 PolarHBondContact O-N 3.22Å; F157-N161 HydrophobicContact CD1-CB 4.45Å; F157-N161 HydrophobicContact CD2-CB 4.38Å; F157-N161 HydrophobicContact CE1-CB 4.24Å; F157-N161 VanDerWaalsContact CE1-ND2 3.32Å; F157-N161 WeakPolarHBondContact CE1-ND2 3.32Å; F157-N161 HydrophobicContact CE2-CB 4.15Å; F157-N161 HydrophobicContact CZ-CB 4.09Å; F157-N161 WeakPolarHBondContact CZ-ND2 3.41Å; F157-N161 WeakPolarHBondContact O-CB 3.21Å; F157-N161 PolarHBondContact O-N 2.7Å; F157-F263 AromaticContact CE2-CE1 3.96Å; F157-F263 HydrophobicContact CE2-CE1 3.96Å; F157-F263 HydrophobicContact CE2-CE2 4.07Å; F157-F263 AromaticContact CE2-CZ 3.61Å; F157-F263 HydrophobicContact CE2-CZ 3.61Å; F157-F263 AromaticContact CZ-CE1 3.98Å; F157-F263 HydrophobicContact CZ-CE1 3.98Å; F157-F263 AromaticContact CZ-CZ 3.72Å; F157-F263 HydrophobicContact CZ-CZ 3.72Å; F157-F270 HydrophobicContact CD2-CD2 4.28Å; F157-F270 HydrophobicContact CD2-CE2 4.47Å; F157-F270 AromaticContact CE2-CD2 3.95Å; F157-F270 HydrophobicContact CE2-CD2 3.95Å; F157-F270 AromaticContact CE2-CE2 3.96Å; F157-F270 HydrophobicContact CE2-CE2 3.96Å
158	D	98.5	Very high	97.8	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.016	12%	0.119	C	C	.	.	H	α-helix	trans	-72.1	-24.5	178.6	-68.9	-7.9	0	0	0	112.7	R23 Y154 Y155 Q164 P167 Y173	R23-D158 PolarHBondContact NH1-O 3.36Å; R23-D158 PolarHBondContact NH2-O 3.26Å; R23-D158 VanDerWaalsContact NH2-O 3.16Å; Y154-D158 WeakPolarHBondContact CD2-OD1 3.46Å; Y154-D158 WeakPolarHBondContact CE2-OD1 3.09Å; Y154-D158 PolarHBondContact O-N 3.3Å; Y155-D158 PolarHBondContact O-N 2.7Å; D158-Q164 HydrophobicContact CB-CB 4.29Å; D158-Q164 WeakPolarHBondContact OD1-CG 3.27Å; D158-P167 HydrophobicContact CB-CB 3.95Å; D158-P167 HydrophobicContact CB-CG 4.15Å; D158-Y173 HydrophobicContact CB-CE2 4.37Å; D158-Y173 VanDerWaalsContact OD2-CE2 3.27Å; D158-Y173 WeakPolarHBondContact OD2-CE2 3.37Å; D158-Y173 PolarHBondContact OD2-OH 3.12Å
159	L	98.3	Very high	97.8	Very high	43 Å²	43	26.9 Å²	26.9	23%	0.225	15%	0.147	C	C	.	.	H	α-helix	trans	-64.1	-44.7	170.9	-72.7	175.9	0	0	0	112.1	Y155 Y156 F157 P167 I267	Y155-L159 HydrophobicContact CD1-CD1 4.13Å; Y155-L159 HydrophobicContact CE1-CD1 3.65Å; Y155-L159 HydrophobicContact CE1-CG 4.38Å; Y155-L159 WeakPolarHBondContact O-CG 3.45Å; Y155-L159 PolarHBondContact O-N 3.44Å; Y155-L159 VanDerWaalsContact O-N 3.12Å; Y156-L159 HydrophobicContact CD1-CD1 3.96Å; Y156-L159 HydrophobicContact CE1-CD1 4.31Å; F157-L159 VanDerWaalsContact C-N 3.3Å; F157-L159 PolarHBondContact O-N 2.86Å; L159-P167 HydrophobicContact CD2-CG 3.61Å; L159-P167 HydrophobicContact CG-CG 4.09Å; L159-I267 HydrophobicContact CB-CG2 3.84Å
160	M	97.8	Very high	97.7	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-87.3	-29.5	-178	67.6	82.2	65.2	0	0	113.5	Y156 F157 K162 F263 D264 Q265 I267 S268	Y156-M160 WeakPolarHBondContact O-CG 3.37Å; Y156-M160 PolarHBondContact O-N 3.25Å; F157-M160 HydrophobicContact CD2-CG 4.43Å; F157-M160 HydrophobicContact CD2-SD 3.74Å; F157-M160 HydrophobicContact CE2-SD 3.96Å; F157-M160 WeakPolarHBondContact O-CG 3.47Å; F157-M160 PolarHBondContact O-N 3.22Å; M160-K162 PolarHBondContact O-N 2.85Å; M160-F263 HydrophobicContact CE-CB 3.52Å; M160-F263 HydrophobicContact CE-CD1 4.38Å; M160-F263 HydrophobicContact CE-CD2 3.91Å; M160-F263 HydrophobicContact CE-CG 3.68Å; M160-F263 HydrophobicContact SD-CB 4.24Å; M160-F263 HydrophobicContact SD-CD1 4.04Å; M160-F263 HydrophobicContact SD-CD2 4.3Å; M160-F263 HydrophobicContact SD-CG 3.92Å; M160-D264 VanDerWaalsContact CB-O 3.28Å; M160-D264 WeakPolarHBondContact CB-O 3.34Å; M160-D264 PolarHBondContact O-N 3.16Å; M160-Q265 HydrophobicContact CE-CB 4.44Å; M160-Q265 HydrophobicContact CE-CG 3.67Å; M160-I267 HydrophobicContact CB-CB 4.41Å; M160-S268 VanDerWaalsContact CB-O 3.31Å; M160-S268 WeakPolarHBondContact CB-O 3.3Å; M160-S268 WeakPolarHBondContact CG-O 3.49Å
161	N	97.8	Very high	97.7	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.027	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-87.3	103.7	-178.5	-175.2	-5.1	0	0	0	110.8	R23 F157 T163 Q164 V262 F263	R23-N161 PolarHBondContact NH1-O 3.39Å; F157-N161 HydrophobicContact CD1-CB 4.45Å; F157-N161 HydrophobicContact CD2-CB 4.38Å; F157-N161 HydrophobicContact CE1-CB 4.24Å; F157-N161 VanDerWaalsContact CE1-ND2 3.32Å; F157-N161 WeakPolarHBondContact CE1-ND2 3.32Å; F157-N161 HydrophobicContact CE2-CB 4.15Å; F157-N161 HydrophobicContact CZ-CB 4.09Å; F157-N161 WeakPolarHBondContact CZ-ND2 3.41Å; F157-N161 WeakPolarHBondContact O-CB 3.21Å; F157-N161 PolarHBondContact O-N 2.7Å; N161-T163 PolarHBondContact ND2-OG1 3.35Å; N161-T163 PolarHBondContact O-N 3.18Å; N161-T163 WeakPolarHBondContact OD1-CB 3.48Å; N161-T163 PolarHBondContact OD1-N 3.38Å; N161-T163 PolarHBondContact OD1-OG1 2.77Å; N161-Q164 HydrophobicContact CB-CG 4.08Å; N161-Q164 WeakPolarHBondContact ND2-CG 3.46Å; N161-Q164 PolarHBondContact O-N 3.2Å; N161-V262 CarbonylContact C-O 3.45Å; N161-V262 WeakPolarHBondContact CA-O 3.44Å; N161-V262 PolarHBondContact OD1-O 3.1Å; N161-F263 HydrophobicContact CB-CD1 4.02Å; N161-F263 HydrophobicContact CB-CE1 3.97Å; N161-F263 VanDerWaalsContact CG-CE1 3.41Å; N161-F263 WeakPolarHBondContact ND2-CE1 3.48Å
162	K	96.8	Very high	97.6	Very high	60 Å²	60	33.8 Å²	33.8	26%	0.261	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-2.4	-177.4	-57.4	-56.7	-174.4	-173.2	0	114.3	T22 R23 M160 P261 V262	T22-K162 CarbonylContact C-O 3.55Å; R23-K162 VanDerWaalsContact CA-O 3.27Å; R23-K162 WeakPolarHBondContact CA-O 3.43Å; R23-K162 VanDerWaalsContact CG-O 3.24Å; R23-K162 WeakPolarHBondContact CG-O 3.45Å; R23-K162 PolarHBondContact N-O 2.94Å; R23-K162 VanDerWaalsContact N-O 3.11Å; M160-K162 PolarHBondContact O-N 2.85Å; K162-P261 WeakPolarHBondContact CB-O 3.35Å; K162-V262 PolarHBondContact N-O 2.77Å
163	T	96.4	Very high	97.6	Very high	15 Å²	15	33.8 Å²	33.8	9%	0.092	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-19.6	173.4	64.3	0	0	0	0	113.2	I21 T22 F24 N161 V262	I21-T163 HydrophobicContact CG2-CG2 3.9Å; T22-T163 WeakPolarHBondContact O-CA 3.4Å; F24-T163 WeakPolarHBondContact CB-O 3.24Å; F24-T163 HydrophobicContact CD2-CG2 4.21Å; F24-T163 WeakPolarHBondContact CD2-O 3.29Å; F24-T163 HydrophobicContact CE2-CG2 3.57Å; F24-T163 HydrophobicContact CZ-CG2 4.22Å; F24-T163 PolarHBondContact N-O 3.35Å; N161-T163 PolarHBondContact ND2-OG1 3.35Å; N161-T163 PolarHBondContact O-N 3.18Å; N161-T163 WeakPolarHBondContact OD1-CB 3.48Å; N161-T163 PolarHBondContact OD1-N 3.38Å; N161-T163 PolarHBondContact OD1-OG1 2.77Å; T163-V262 HydrophobicContact CG2-CG1 3.97Å; T163-V262 HydrophobicContact CG2-CG2 4.45Å
164	Q	95	Very high	97.6	Very high	2 Å²	2	33 Å²	33	1%	0.009	18%	0.184	C	C	.	.	S	Bend	trans	-82.3	153.2	179.6	-62.4	-64.8	-11.8	0	0	110.8	R23 D158 N161	R23-Q164 WeakPolarHBondContact CB-O 3.39Å; R23-Q164 WeakPolarHBondContact CD-O 3.42Å; R23-Q164 WeakPolarHBondContact CG-O 3.43Å; R23-Q164 PolarHBondContact NH1-O 3.31Å; D158-Q164 HydrophobicContact CB-CB 4.29Å; D158-Q164 WeakPolarHBondContact OD1-CG 3.27Å; N161-Q164 HydrophobicContact CB-CG 4.08Å; N161-Q164 WeakPolarHBondContact ND2-CG 3.46Å; N161-Q164 PolarHBondContact O-N 3.2Å
165	P	95.4	Very high	97.6	Very high	36 Å²	36	36.3 Å²	36.3	23%	0.234	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-52	156.5	170.3	-24.6	33.2	0	0	0	112.5	R23 L26 P167	R23-P165 PolarHBondContact NH1-O 3.33Å; L26-P165 HydrophobicContact CD1-CG 3.97Å; L26-P165 HydrophobicContact CD2-CG 3.68Å; L26-P165 HydrophobicContact CG-CG 3.62Å; P165-P167 WeakPolarHBondContact O-CD 3.27Å
166	E	95.8	Very high	97.6	Very high	124 Å²	124	37.9 Å²	37.9	58%	0.579	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-60	123.8	177.4	-80	-61.6	164.2	0	0	110.3	R23 G168 K176	R23-E166 WeakPolarHBondContact CD-OE1 3.18Å; R23-E166 IonicContact CZ-OE1 3.01Å; R23-E166 IonicContact CZ-OE2 3.48Å; R23-E166 VanDerWaalsContact CZ-OE2 3.31Å; R23-E166 IonicContact NE-OE1 3.46Å; R23-E166 PolarHBondContact NE-OE1 3.37Å; R23-E166 IonicContact NE-OE2 3.99Å; R23-E166 PolarHBondContact NE-OE2 3.11Å; R23-E166 VanDerWaalsContact NE-OE2 3.15Å; R23-E166 IonicContact NH2-OE1 3.36Å; R23-E166 IonicContact NH2-OE2 2.7Å; R23-E166 PolarHBondContact NH2-OE2 2.86Å; E166-G168 VanDerWaalsContact C-N 3.29Å; E166-G168 PolarHBondContact O-N 3.24Å; E166-K176 PolarHBondContact O-NZ 2.66Å
167	P	96.9	Very high	97.6	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.013	20%	0.195	C	C	.	.			trans	-65	-36.8	-179.2	22.9	-31.7	0	0	0	111.4	Y155 D158 L159 P165 Y173 K176	Y155-P167 HydrophobicContact CD2-CB 4.07Å; Y155-P167 HydrophobicContact CE2-CB 4.06Å; D158-P167 HydrophobicContact CB-CB 3.95Å; D158-P167 HydrophobicContact CB-CG 4.15Å; L159-P167 HydrophobicContact CD2-CG 3.61Å; L159-P167 HydrophobicContact CG-CG 4.09Å; P165-P167 WeakPolarHBondContact O-CD 3.27Å; P167-Y173 HydrophobicContact CB-CD2 3.7Å; P167-Y173 HydrophobicContact CB-CE2 3.83Å; P167-K176 PolarHBondContact O-NZ 3.15Å
168	G	97.4	Very high	97.6	Very high	35 Å²	35	34.9 Å²	34.9	36%	0.361	20%	0.195	S	C	.	.			trans	72.3	-165.2	-168.6	0	0	0	0	0	111.7	Y155 E166	Y155-G168 WeakPolarHBondContact CE2-O 3.06Å; Y155-G168 PolarHBondContact OH-O 3Å; E166-G168 VanDerWaalsContact C-N 3.29Å; E166-G168 PolarHBondContact O-N 3.24Å
169	P	98	Very high	97.6	Very high	100 Å²	100	42.4 Å²	42.4	65%	0.649	22%	0.224	S	C	*	.			trans	-64.8	151.3	174.5	-20.4	33.1	0	0	0	112.5	D171 G172 Y173	P169-D171 VanDerWaalsContact C-N 3.29Å; P169-D171 PolarHBondContact O-N 2.8Å; P169-G172 PolarHBondContact O-N 2.68Å; P169-Y173 PolarHBondContact O-N 3.21Å
170	F	98.3	Very high	97.6	Very high	29 Å²	29	40.9 Å²	40.9	13%	0.127	22%	0.218	C	C	.	.	H	α-helix	trans	-55	-41.4	-179.1	-173.7	-112.8	0	0	0	113.3	L151 V152 Y155 G172 Y173 I174 H282 F283	L151-F170 HydrophobicContact CD2-CE2 3.59Å; L151-F170 HydrophobicContact CD2-CZ 3.82Å; V152-F170 HydrophobicContact CG2-CE2 3.98Å; V152-F170 HydrophobicContact CG2-CZ 3.71Å; Y155-F170 AromaticContact CD1-CD2 3.62Å; Y155-F170 HydrophobicContact CD1-CD2 3.62Å; Y155-F170 HydrophobicContact CD1-CE2 4.28Å; Y155-F170 AromaticContact CD2-CD2 3.99Å; Y155-F170 HydrophobicContact CD2-CD2 3.99Å; Y155-F170 HydrophobicContact CE1-CB 4.15Å; Y155-F170 AromaticContact CE1-CD2 3.97Å; Y155-F170 HydrophobicContact CE1-CD2 3.97Å; Y155-F170 HydrophobicContact CE1-CG 4.49Å; Y155-F170 HydrophobicContact CE2-CB 4.17Å; Y155-F170 HydrophobicContact CE2-CD2 4.29Å; Y155-F170 AromaticContact CG-CD2 3.63Å; Y155-F170 HydrophobicContact CG-CD2 3.63Å; Y155-F170 HydrophobicContact CG-CE2 4.21Å; Y155-F170 PolarHBondContact OH-N 2.72Å; F170-G172 PolarHBondContact O-N 2.82Å; F170-Y173 WeakPolarHBondContact O-CA 3.38Å; F170-Y173 WeakPolarHBondContact O-CB 3.21Å; F170-Y173 PolarHBondContact O-N 2.88Å; F170-I174 HydrophobicContact CD1-CD1 4Å; F170-I174 HydrophobicContact CD1-CG1 4.42Å; F170-I174 HydrophobicContact CE1-CD1 3.66Å; F170-I174 HydrophobicContact CE1-CG1 4.09Å; F170-I174 HydrophobicContact CZ-CD1 4.19Å; F170-I174 HydrophobicContact CZ-CG1 4.17Å; F170-I174 WeakPolarHBondContact O-CG1 3.32Å; F170-I174 PolarHBondContact O-N 3.29Å; F170-H282 HydrophobicContact CE1-CB 3.91Å; F170-H282 WeakPolarHBondContact CE1-O 3.13Å; F170-H282 HydrophobicContact CZ-CB 3.87Å; F170-F283 HydrophobicContact CE1-CD2 4.28Å; F170-F283 HydrophobicContact CE1-CE2 4.48Å; F170-F283 HydrophobicContact CZ-CD2 4.08Å; F170-F283 AromaticContact CZ-CE2 3.93Å; F170-F283 HydrophobicContact CZ-CE2 3.93Å
171	D	97.1	Very high	97.6	Very high	87 Å²	87	44.8 Å²	44.8	47%	0.465	24%	0.236	S	C	.	.	H	α-helix	trans	-57	-49.3	178.4	-172	60.2	0	0	0	112.4	P169 Y173 I174 H175 Q287	P169-D171 VanDerWaalsContact C-N 3.29Å; P169-D171 PolarHBondContact O-N 2.8Å; D171-Y173 VanDerWaalsContact C-N 3.29Å; D171-Y173 PolarHBondContact O-N 3.34Å; D171-I174 PolarHBondContact O-N 3.2Å; D171-H175 PolarHBondContact O-CD2 3.06Å; D171-H175 VanDerWaalsContact O-CD2 3.27Å; D171-Q287 PolarHBondContact OD1-NE2 2.83Å
172	G	98.1	Very high	97.6	Very high	30 Å²	30	44.9 Å²	44.9	31%	0.309	24%	0.237	S	C	.	.	H	α-helix	trans	-66.4	-31	174.2	0	0	0	0	0	113.2	P169 F170 H175 K176	P169-G172 PolarHBondContact O-N 2.68Å; F170-G172 PolarHBondContact O-N 2.82Å; G172-H175 PolarHBondContact O-N 2.93Å; G172-K176 PolarHBondContact O-N 2.88Å
173	Y	98.7	Very high	97.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.6	-35.9	178.1	-165.5	-90.5	0	0	0	112.5	L151 Y154 Y155 D158 P167 P169 F170 D171 H175 K176 F177 L182	L151-Y173 HydrophobicContact CD2-CD1 4.18Å; Y154-Y173 VanDerWaalsContact C-OH 3.29Å; Y154-Y173 WeakPolarHBondContact CB-OH 3.21Å; Y154-Y173 VanDerWaalsContact CD2-OH 3.31Å; Y154-Y173 WeakPolarHBondContact CD2-OH 3.27Å; Y155-Y173 AromaticContact CD2-CD1 3.91Å; Y155-Y173 HydrophobicContact CD2-CD1 3.91Å; Y155-Y173 AromaticContact CD2-CD2 3.79Å; Y155-Y173 HydrophobicContact CD2-CD2 3.79Å; Y155-Y173 HydrophobicContact CD2-CE1 4.43Å; Y155-Y173 HydrophobicContact CD2-CE2 4.33Å; Y155-Y173 AromaticContact CD2-CG 3.55Å; Y155-Y173 HydrophobicContact CD2-CG 3.55Å; Y155-Y173 HydrophobicContact CE2-CG 4.36Å; Y155-Y173 HydrophobicContact CG-CD1 4.32Å; Y155-Y173 HydrophobicContact CG-CG 4.39Å; Y155-Y173 PolarHBondContact N-OH 2.94Å; D158-Y173 HydrophobicContact CB-CE2 4.37Å; D158-Y173 VanDerWaalsContact OD2-CE2 3.27Å; D158-Y173 WeakPolarHBondContact OD2-CE2 3.37Å; D158-Y173 PolarHBondContact OD2-OH 3.12Å; P167-Y173 HydrophobicContact CB-CD2 3.7Å; P167-Y173 HydrophobicContact CB-CE2 3.83Å; P169-Y173 PolarHBondContact O-N 3.21Å; F170-Y173 WeakPolarHBondContact O-CA 3.38Å; F170-Y173 WeakPolarHBondContact O-CB 3.21Å; F170-Y173 PolarHBondContact O-N 2.88Å; D171-Y173 VanDerWaalsContact C-N 3.29Å; D171-Y173 PolarHBondContact O-N 3.34Å; Y173-H175 VanDerWaalsContact C-N 3.3Å; Y173-H175 PolarHBondContact O-N 3.13Å; Y173-K176 PolarHBondContact O-N 3.16Å; Y173-F177 PolarHBondContact O-N 3.36Å; Y173-L182 HydrophobicContact CD2-CD2 4.26Å; Y173-L182 HydrophobicContact CE1-CD1 3.74Å; Y173-L182 HydrophobicContact CE1-CD2 4.46Å; Y173-L182 HydrophobicContact CE2-CD1 4.36Å; Y173-L182 HydrophobicContact CE2-CD2 3.67Å; Y173-L182 WeakPolarHBondContact OH-CD1 3.23Å
174	I	98.6	Very high	97.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.4	-46.7	175.6	-66.5	168.8	0	0	0	110.4	L151 F170 D171 K176 F177 M178 F283 Q287 M290 F291	L151-I174 HydrophobicContact CD1-CB 4.44Å; L151-I174 HydrophobicContact CD1-CG1 4.26Å; L151-I174 HydrophobicContact CD1-CG2 4.32Å; L151-I174 HydrophobicContact CD2-CG1 4.07Å; F170-I174 HydrophobicContact CD1-CD1 4Å; F170-I174 HydrophobicContact CD1-CG1 4.42Å; F170-I174 HydrophobicContact CE1-CD1 3.66Å; F170-I174 HydrophobicContact CE1-CG1 4.09Å; F170-I174 HydrophobicContact CZ-CD1 4.19Å; F170-I174 HydrophobicContact CZ-CG1 4.17Å; F170-I174 WeakPolarHBondContact O-CG1 3.32Å; F170-I174 PolarHBondContact O-N 3.29Å; D171-I174 PolarHBondContact O-N 3.2Å; I174-K176 PolarHBondContact O-N 3Å; I174-F177 WeakPolarHBondContact O-CB 3.42Å; I174-F177 PolarHBondContact O-N 3.26Å; I174-M178 HydrophobicContact CG2-CG 4.34Å; I174-M178 HydrophobicContact CG2-SD 3.62Å; I174-M178 VanDerWaalsContact O-CG 3.32Å; I174-M178 WeakPolarHBondContact O-CG 3.48Å; I174-M178 PolarHBondContact O-N 2.63Å; I174-F283 HydrophobicContact CD1-CD1 4.27Å; I174-F283 HydrophobicContact CD1-CE1 4.03Å; I174-F283 HydrophobicContact CD1-CZ 4.48Å; I174-F283 HydrophobicContact CG1-CE1 4.42Å; I174-Q287 HydrophobicContact CD1-CB 4.04Å; I174-Q287 HydrophobicContact CD1-CG 3.99Å; I174-M290 HydrophobicContact CG2-CE 3.76Å; I174-F291 HydrophobicContact CG2-CD2 4.22Å
175	H	98.5	Very high	98	Very high	70 Å²	70	41.8 Å²	41.8	32%	0.324	22%	0.223	S	C	.	.	H	α-helix	trans	-64.3	-40.3	178.2	-65.3	-66.3	0	0	0	113	D171 G172 Y173 F177 M178 R179 M290	D171-H175 PolarHBondContact O-CD2 3.06Å; D171-H175 VanDerWaalsContact O-CD2 3.27Å; G172-H175 PolarHBondContact O-N 2.93Å; Y173-H175 VanDerWaalsContact C-N 3.3Å; Y173-H175 PolarHBondContact O-N 3.13Å; H175-F177 VanDerWaalsContact C-N 3.31Å; H175-F177 PolarHBondContact O-N 2.81Å; H175-M178 PolarHBondContact O-N 2.84Å; H175-R179 WeakPolarHBondContact O-CB 3.48Å; H175-R179 WeakPolarHBondContact O-CG 3.27Å; H175-R179 PolarHBondContact O-N 2.95Å; H175-R179 PolarHBondContact O-NE 3.28Å; H175-M290 PolarHBondContact CE1-SD 3.14Å
176	K	98.6	Very high	98.1	Very high	65 Å²	65	41.1 Å²	41.1	28%	0.283	22%	0.219	S	C	.	.	H	α-helix	trans	-59.7	-43.3	174.1	-68.2	174.6	-175.3	173.6	0	111.4	E166 P167 G172 Y173 I174 R179 G180 E181 L182	E166-K176 PolarHBondContact O-NZ 2.66Å; P167-K176 PolarHBondContact O-NZ 3.15Å; G172-K176 PolarHBondContact O-N 2.88Å; Y173-K176 PolarHBondContact O-N 3.16Å; I174-K176 PolarHBondContact O-N 3Å; K176-R179 PolarHBondContact O-N 3.32Å; K176-G180 PolarHBondContact O-N 3.18Å; K176-E181 HydrophobicContact CB-CB 4.29Å; K176-E181 PolarHBondContact O-N 3.35Å; K176-L182 HydrophobicContact CB-CD2 3.83Å; K176-L182 HydrophobicContact CB-CG 4.34Å; K176-L182 HydrophobicContact CD-CD2 4.43Å
177	F	98.8	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-50.3	177	-174.1	-78.4	0	0	0	111.6	Y60 A147 L151 Y173 I174 H175 R179 G180 L182 W187 F291	Y60-F177 AromaticContact CE1-CE2 3.85Å; Y60-F177 HydrophobicContact CE1-CE2 3.85Å; Y60-F177 HydrophobicContact CE1-CZ 4.34Å; A147-F177 HydrophobicContact CB-CE1 4.33Å; L151-F177 HydrophobicContact CB-CD1 4.28Å; L151-F177 HydrophobicContact CB-CD2 3.69Å; L151-F177 HydrophobicContact CB-CE1 4.29Å; L151-F177 HydrophobicContact CB-CE2 3.7Å; L151-F177 HydrophobicContact CB-CG 4Å; L151-F177 HydrophobicContact CB-CZ 4Å; L151-F177 HydrophobicContact CD1-CB 3.69Å; L151-F177 HydrophobicContact CD1-CD1 3.69Å; L151-F177 HydrophobicContact CD1-CD2 4.13Å; L151-F177 HydrophobicContact CD1-CE1 4.33Å; L151-F177 HydrophobicContact CD1-CG 3.58Å; L151-F177 HydrophobicContact CG-CB 3.9Å; L151-F177 HydrophobicContact CG-CD1 4.2Å; L151-F177 HydrophobicContact CG-CD2 3.71Å; L151-F177 HydrophobicContact CG-CE2 4.26Å; L151-F177 HydrophobicContact CG-CG 3.68Å; Y173-F177 PolarHBondContact O-N 3.36Å; I174-F177 WeakPolarHBondContact O-CB 3.42Å; I174-F177 PolarHBondContact O-N 3.26Å; H175-F177 VanDerWaalsContact C-N 3.31Å; H175-F177 PolarHBondContact O-N 2.81Å; F177-R179 PolarHBondContact O-N 3.03Å; F177-G180 PolarHBondContact O-N 2.92Å; F177-L182 HydrophobicContact CB-CD1 3.8Å; F177-L182 HydrophobicContact CD2-CD1 3.58Å; F177-L182 HydrophobicContact CG-CD1 4.11Å; F177-W187 HydrophobicContact CE1-CB 3.68Å; F177-W187 HydrophobicContact CE1-CG 4.07Å; F177-W187 HydrophobicContact CE2-CB 4.2Å; F177-W187 HydrophobicContact CZ-CB 3.38Å; F177-W187 AromaticContact CZ-CD1 3.87Å; F177-W187 HydrophobicContact CZ-CD2 4.39Å; F177-W187 AromaticContact CZ-CG 3.59Å; F177-W187 HydrophobicContact CZ-CG 3.59Å; F177-F291 HydrophobicContact CD1-CE2 4.08Å; F177-F291 HydrophobicContact CD1-CZ 4.46Å; F177-F291 HydrophobicContact CE1-CE2 4.27Å; F177-F291 HydrophobicContact CE1-CZ 4.19Å
178	M	98.7	Very high	98.4	Very high	24 Å²	24	35.2 Å²	35.2	12%	0.118	19%	0.191	C	C	.	.	H	α-helix	trans	-60	-35.2	-179.6	-70.3	167.8	61.8	0	0	112.3	I174 H175 G180 M290 F291 D294	I174-M178 HydrophobicContact CG2-CG 4.34Å; I174-M178 HydrophobicContact CG2-SD 3.62Å; I174-M178 VanDerWaalsContact O-CG 3.32Å; I174-M178 WeakPolarHBondContact O-CG 3.48Å; I174-M178 PolarHBondContact O-N 2.63Å; H175-M178 PolarHBondContact O-N 2.84Å; M178-G180 VanDerWaalsContact C-N 3.32Å; M178-M290 HydrophobicContact CE-CE 4.44Å; M178-M290 HydrophobicContact CE-CG 4.37Å; M178-M290 HydrophobicContact SD-CE 3.82Å; M178-F291 HydrophobicContact CG-CD2 3.8Å; M178-F291 HydrophobicContact CG-CE2 3.87Å; M178-F291 HydrophobicContact SD-CD2 3.96Å; M178-D294 HydrophobicContact CE-CB 3.33Å
179	R	98.4	Very high	98.4	Very high	162 Å²	162	37.5 Å²	37.5	61%	0.611	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-1.4	178.2	-65.1	-174.2	-60.3	-169.9	9.5	114.1	H175 K176 F177 E181	H175-R179 WeakPolarHBondContact O-CB 3.48Å; H175-R179 WeakPolarHBondContact O-CG 3.27Å; H175-R179 PolarHBondContact O-N 2.95Å; H175-R179 PolarHBondContact O-NE 3.28Å; K176-R179 PolarHBondContact O-N 3.32Å; F177-R179 PolarHBondContact O-N 3.03Å; R179-E181 VanDerWaalsContact C-N 3.28Å; R179-E181 HydrophobicContact CB-CG 3.81Å; R179-E181 IonicContact CZ-OE1 2.66Å; R179-E181 IonicContact CZ-OE2 3.31Å; R179-E181 VanDerWaalsContact NE-CD 3.34Å; R179-E181 IonicContact NE-OE1 2.63Å; R179-E181 PolarHBondContact NE-OE1 2.85Å; R179-E181 IonicContact NE-OE2 3.67Å; R179-E181 PolarHBondContact NE-OE2 2.93Å; R179-E181 IonicContact NH1-OE1 3.05Å; R179-E181 IonicContact NH2-OE1 3.15Å; R179-E181 PolarHBondContact NH2-OE1 3.29Å; R179-E181 IonicContact NH2-OE2 3Å; R179-E181 PolarHBondContact NH2-OE2 3.43Å; R179-E181 PolarHBondContact O-N 3.11Å
180	G	98.3	Very high	98.4	Very high	10 Å²	10	32.8 Å²	32.8	10%	0.103	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	29.1	-177.6	0	0	0	0	0	113.7	K176 F177 M178 L182 G185	K176-G180 PolarHBondContact O-N 3.18Å; F177-G180 PolarHBondContact O-N 2.92Å; M178-G180 VanDerWaalsContact C-N 3.32Å; G180-L182 VanDerWaalsContact C-N 3.31Å; G180-G185 WeakPolarHBondContact O-CA 3.37Å
181	E	98.3	Very high	98.5	Very high	84 Å²	84	31.4 Å²	31.4	39%	0.393	16%	0.159	S	C	.	.			trans	-87	-2.6	-178.5	-64.2	171.4	166.4	0	0	112.8	L26 K176 R179	L26-E181 WeakPolarHBondContact CD1-O 3.41Å; K176-E181 HydrophobicContact CB-CB 4.29Å; K176-E181 PolarHBondContact O-N 3.35Å; R179-E181 VanDerWaalsContact C-N 3.28Å; R179-E181 HydrophobicContact CB-CG 3.81Å; R179-E181 IonicContact CZ-OE1 2.66Å; R179-E181 IonicContact CZ-OE2 3.31Å; R179-E181 VanDerWaalsContact NE-CD 3.34Å; R179-E181 IonicContact NE-OE1 2.63Å; R179-E181 PolarHBondContact NE-OE1 2.85Å; R179-E181 IonicContact NE-OE2 3.67Å; R179-E181 PolarHBondContact NE-OE2 2.93Å; R179-E181 IonicContact NH1-OE1 3.05Å; R179-E181 IonicContact NH2-OE1 3.15Å; R179-E181 PolarHBondContact NH2-OE1 3.29Å; R179-E181 IonicContact NH2-OE2 3Å; R179-E181 PolarHBondContact NH2-OE2 3.43Å; R179-E181 PolarHBondContact O-N 3.11Å
182	L	98.3	Very high	98.6	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.037	15%	0.145	C	C	.	.	S	Bend	trans	-81.5	156.9	175.5	-60.9	-177.2	0	0	0	110.9	P33 Y154 Y173 K176 F177 G180 W184 G185	P33-L182 WeakPolarHBondContact CG-O 3.19Å; Y154-L182 HydrophobicContact CD1-CD1 4.18Å; Y154-L182 HydrophobicContact CE1-CB 4.45Å; Y154-L182 HydrophobicContact CE1-CD1 4.4Å; Y173-L182 HydrophobicContact CD2-CD2 4.26Å; Y173-L182 HydrophobicContact CE1-CD1 3.74Å; Y173-L182 HydrophobicContact CE1-CD2 4.46Å; Y173-L182 HydrophobicContact CE2-CD1 4.36Å; Y173-L182 HydrophobicContact CE2-CD2 3.67Å; Y173-L182 WeakPolarHBondContact OH-CD1 3.23Å; K176-L182 HydrophobicContact CB-CD2 3.83Å; K176-L182 HydrophobicContact CB-CG 4.34Å; K176-L182 HydrophobicContact CD-CD2 4.43Å; F177-L182 HydrophobicContact CB-CD1 3.8Å; F177-L182 HydrophobicContact CD2-CD1 3.58Å; F177-L182 HydrophobicContact CG-CD1 4.11Å; G180-L182 VanDerWaalsContact C-N 3.31Å; L182-W184 PolarHBondContact O-N 2.95Å; L182-G185 WeakPolarHBondContact O-CA 3.28Å; L182-G185 PolarHBondContact O-N 3.25Å
183	P	98.3	Very high	98.6	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.013	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	143.8	175.8	-0.4	-1.2	0	0	0	112.1	L26 P33 Y154 G185	L26-P183 HydrophobicContact CD1-CG 4.43Å; L26-P183 HydrophobicContact CD2-CB 3.92Å; L26-P183 HydrophobicContact CD2-CG 3.96Å; P33-P183 CarbonylContact O-C 3.57Å; P33-P183 WeakPolarHBondContact O-CA 3.5Å; Y154-P183 WeakPolarHBondContact OH-CG 3.15Å; Y154-P183 PolarHBondContact OH-O 3.24Å; P183-G185 PolarHBondContact O-N 3.01Å
184	W	98.6	Very high	98.6	Very high	7 Å²	7	28.9 Å²	28.9	3%	0.027	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	1.5	-169.2	-55.5	-85.5	0	0	0	115.6	P33 L34 M35 I38 P61 F95 E97 H123 Y154 L182	P33-W184 PolarHBondContact O-N 3.18Å; L34-W184 HydrophobicContact CD2-CG 4.23Å; M35-W184 HydrophobicContact CE-CH2 4.1Å; M35-W184 HydrophobicContact CE-CZ2 4.34Å; I38-W184 HydrophobicContact CD1-CZ2 4.22Å; P61-W184 HydrophobicContact CB-CE3 4.31Å; P61-W184 HydrophobicContact CB-CZ3 4.46Å; P61-W184 HydrophobicContact CG-CB 4.3Å; P61-W184 HydrophobicContact CG-CD2 3.8Å; P61-W184 HydrophobicContact CG-CE3 3.24Å; P61-W184 HydrophobicContact CG-CG 4.26Å; P61-W184 HydrophobicContact CG-CZ3 3.8Å; F95-W184 HydrophobicContact CE1-CH2 4.38Å; F95-W184 AromaticContact CE1-CZ2 3.98Å; F95-W184 HydrophobicContact CE1-CZ2 3.98Å; F95-W184 HydrophobicContact CZ-CH2 4.24Å; F95-W184 AromaticContact CZ-CZ2 3.52Å; F95-W184 HydrophobicContact CZ-CZ2 3.52Å; E97-W184 PolarHBondContact OE1-NE1 2.86Å; H123-W184 HydrophobicContact CB-CD2 3.77Å; H123-W184 HydrophobicContact CB-CG 3.77Å; H123-W184 HydrophobicContact CB-CZ2 4.24Å; Y154-W184 VanDerWaalsContact OH-CZ3 3.32Å; Y154-W184 WeakPolarHBondContact OH-CZ3 3.41Å; L182-W184 PolarHBondContact O-N 2.95Å
185	G	98.5	Very high	98.6	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.031	15%	0.148	C	C	.	.			trans	85.6	-147.1	163.4	0	0	0	0	0	115.1	Y60 G180 L182 P183 W187	Y60-G185 WeakPolarHBondContact CE2-O 3.48Å; Y60-G185 PolarHBondContact OH-O 3.36Å; G180-G185 WeakPolarHBondContact O-CA 3.37Å; L182-G185 WeakPolarHBondContact O-CA 3.28Å; L182-G185 PolarHBondContact O-N 3.25Å; P183-G185 PolarHBondContact O-N 3.01Å; G185-W187 PolarHBondContact O-N 2.58Å
186	S	98.8	Very high	98.5	Very high	23 Å²	23	31 Å²	31	16%	0.161	16%	0.155	C	C	.	.			trans	-69.6	119.7	-176.5	170.3	0	0	0	0	111.9	Y188 D189 H190	S186-Y188 PolarHBondContact O-N 2.88Å; S186-Y188 PolarHBondContact OG-N 3.29Å; S186-D189 WeakPolarHBondContact CB-OD2 3.48Å; S186-D189 PolarHBondContact O-N 3.27Å; S186-D189 PolarHBondContact OG-N 3.25Å; S186-D189 PolarHBondContact OG-OD2 3.47Å; S186-H190 VanDerWaalsContact O-CB 3.3Å; S186-H190 WeakPolarHBondContact O-CB 3.2Å; S186-H190 PolarHBondContact O-N 2.67Å
187	W	98.9	Very high	98.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-54.7	-42	170.4	173.2	93.5	0	0	0	111	Y60 R145 A147 N150 F177 G185 H190 V191 Y295 M299 F306	Y60-W187 HydrophobicContact CD1-CB 4.35Å; Y60-W187 AromaticContact CD1-CD1 3.54Å; Y60-W187 HydrophobicContact CD1-CG 4.34Å; Y60-W187 HydrophobicContact CD2-CB 4.4Å; Y60-W187 HydrophobicContact CE1-CB 4.05Å; Y60-W187 AromaticContact CE1-CD1 3.93Å; Y60-W187 HydrophobicContact CE1-CG 4.42Å; Y60-W187 HydrophobicContact CE2-CB 4.15Å; Y60-W187 HydrophobicContact CG-CB 4.49Å; Y60-W187 AromaticContact CG-CD1 3.88Å; R145-W187 VanDerWaalsContact O-CZ2 3.29Å; R145-W187 WeakPolarHBondContact O-CZ2 3.2Å; R145-W187 PolarHBondContact O-NE1 2.82Å; A147-W187 HydrophobicContact CB-CD2 3.72Å; A147-W187 HydrophobicContact CB-CE3 3.67Å; A147-W187 HydrophobicContact CB-CH2 3.75Å; A147-W187 HydrophobicContact CB-CZ2 3.73Å; A147-W187 HydrophobicContact CB-CZ3 3.71Å; N150-W187 VanDerWaalsContact OD1-CD1 3.32Å; N150-W187 PolarHBondContact OD1-NE1 2.83Å; F177-W187 HydrophobicContact CE1-CB 3.68Å; F177-W187 HydrophobicContact CE1-CG 4.07Å; F177-W187 HydrophobicContact CE2-CB 4.2Å; F177-W187 HydrophobicContact CZ-CB 3.38Å; F177-W187 AromaticContact CZ-CD1 3.87Å; F177-W187 HydrophobicContact CZ-CD2 4.39Å; F177-W187 AromaticContact CZ-CG 3.59Å; F177-W187 HydrophobicContact CZ-CG 3.59Å; G185-W187 PolarHBondContact O-N 2.58Å; W187-H190 PolarHBondContact O-N 3.16Å; W187-V191 HydrophobicContact CD2-CG1 4.21Å; W187-V191 HydrophobicContact CD2-CG2 4.34Å; W187-V191 HydrophobicContact CE3-CG2 4.17Å; W187-V191 HydrophobicContact CH2-CG2 3.84Å; W187-V191 HydrophobicContact CZ2-CG1 3.87Å; W187-V191 HydrophobicContact CZ2-CG2 4.06Å; W187-V191 HydrophobicContact CZ3-CG2 3.91Å; W187-V191 WeakPolarHBondContact O-CG2 3.41Å; W187-V191 PolarHBondContact O-N 2.92Å; W187-Y295 AromaticContact CH2-CE2 3.64Å; W187-Y295 HydrophobicContact CH2-CE2 3.64Å; W187-Y295 HydrophobicContact CZ3-CD2 4.18Å; W187-Y295 AromaticContact CZ3-CE2 3.53Å; W187-Y295 HydrophobicContact CZ3-CE2 3.53Å; W187-M299 HydrophobicContact CZ3-CE 4.39Å; W187-M299 HydrophobicContact CZ3-SD 4.1Å; W187-F306 AromaticContact CH2-CD2 3.91Å; W187-F306 HydrophobicContact CH2-CD2 3.91Å; W187-F306 HydrophobicContact CH2-CE1 4.45Å; W187-F306 AromaticContact CH2-CE2 3.51Å; W187-F306 HydrophobicContact CH2-CE2 3.51Å; W187-F306 AromaticContact CH2-CZ 3.82Å; W187-F306 HydrophobicContact CH2-CZ 3.82Å; W187-F306 HydrophobicContact CZ2-CD1 4.42Å; W187-F306 HydrophobicContact CZ2-CD2 4.3Å; W187-F306 AromaticContact CZ2-CE1 3.91Å; W187-F306 HydrophobicContact CZ2-CE1 3.91Å; W187-F306 AromaticContact CZ2-CE2 3.77Å; W187-F306 HydrophobicContact CZ2-CE2 3.77Å; W187-F306 AromaticContact CZ2-CZ 3.56Å; W187-F306 HydrophobicContact CZ2-CZ 3.56Å
188	Y	98.7	Very high	98.5	Very high	1 Å²	1	34 Å²	34	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-51.6	-178.1	-52.2	-74.6	0	0	0	111	S186 H190 V191 K192 D294 Y295 Q298 M299	S186-Y188 PolarHBondContact O-N 2.88Å; S186-Y188 PolarHBondContact OG-N 3.29Å; Y188-H190 VanDerWaalsContact C-N 3.31Å; Y188-H190 PolarHBondContact O-N 3.26Å; Y188-V191 WeakPolarHBondContact O-CG2 3.35Å; Y188-K192 VanDerWaalsContact O-CB 3.31Å; Y188-K192 WeakPolarHBondContact O-CB 3.28Å; Y188-K192 WeakPolarHBondContact O-CE 3.49Å; Y188-K192 VanDerWaalsContact O-CG 3.22Å; Y188-K192 WeakPolarHBondContact O-CG 3.5Å; Y188-K192 PolarHBondContact O-N 3.39Å; Y188-D294 PolarHBondContact OH-OD2 3.44Å; Y188-Y295 HydrophobicContact CD1-CD2 4.48Å; Y188-Y295 AromaticContact CE1-CD2 3.79Å; Y188-Y295 HydrophobicContact CE1-CD2 3.79Å; Y188-Y295 HydrophobicContact CE1-CG 4.42Å; Y188-Q298 HydrophobicContact CD1-CB 3.61Å; Y188-Q298 HydrophobicContact CD1-CG 4.21Å; Y188-Q298 HydrophobicContact CD2-CB 4.07Å; Y188-Q298 HydrophobicContact CD2-CG 3.89Å; Y188-Q298 HydrophobicContact CE1-CB 3.88Å; Y188-Q298 HydrophobicContact CE1-CG 4.15Å; Y188-Q298 HydrophobicContact CE2-CB 4.27Å; Y188-Q298 HydrophobicContact CE2-CG 3.79Å; Y188-Q298 HydrophobicContact CG-CB 3.73Å; Y188-Q298 HydrophobicContact CG-CG 4.09Å; Y188-M299 HydrophobicContact CD1-CG 4.05Å; Y188-M299 HydrophobicContact CD1-SD 3.89Å
189	D	98.5	Very high	98.4	Very high	83 Å²	83	40.2 Å²	40.2	44%	0.444	19%	0.193	S	C	.	.	H	α-helix	trans	-71	-33.4	-177.2	-58.5	-38.1	0	0	0	111.2	S186 K192 G193	S186-D189 WeakPolarHBondContact CB-OD2 3.48Å; S186-D189 PolarHBondContact O-N 3.27Å; S186-D189 PolarHBondContact OG-N 3.25Å; S186-D189 PolarHBondContact OG-OD2 3.47Å; D189-K192 WeakPolarHBondContact OD1-CE 3.35Å; D189-K192 IonicContact OD1-NZ 3.98Å; D189-K192 PolarHBondContact OD1-NZ 2.99Å; D189-G193 PolarHBondContact O-N 3.36Å
190	H	98.8	Very high	98.3	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.009	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-53.3	175.2	-159.1	-65.6	0	0	0	111.6	Y60 H123 L124 Y142 S186 W187 Y188 G193 Y194	Y60-H190 HydrophobicContact CD2-CB 3.86Å; Y60-H190 AromaticContact CD2-CD2 3.83Å; Y60-H190 AromaticContact CD2-CG 3.81Å; Y60-H190 PolarHBondContact N-CE1 2.87Å; H123-H190 PolarHBondContact O-NE2 2.86Å; L124-H190 PolarHBondContact O-NE2 3.05Å; Y142-H190 AromaticContact CE2-CE1 3.66Å; Y142-H190 AromaticContact CE2-ND1 3.62Å; Y142-H190 AromaticContact CZ-ND1 3.68Å; Y142-H190 PolarHBondContact OH-ND1 3.05Å; S186-H190 VanDerWaalsContact O-CB 3.3Å; S186-H190 WeakPolarHBondContact O-CB 3.2Å; S186-H190 PolarHBondContact O-N 2.67Å; W187-H190 PolarHBondContact O-N 3.16Å; Y188-H190 VanDerWaalsContact C-N 3.31Å; Y188-H190 PolarHBondContact O-N 3.26Å; H190-G193 PolarHBondContact O-N 2.93Å; H190-Y194 AromaticContact CE1-CD2 3.94Å; H190-Y194 AromaticContact CE1-CE2 3.47Å; H190-Y194 VanDerWaalsContact CE1-CE2 3.47Å; H190-Y194 WeakPolarHBondContact CE1-CE2 3.24Å; H190-Y194 AromaticContact ND1-CD2 3.84Å; H190-Y194 AromaticContact ND1-CE2 3.83Å; H190-Y194 WeakPolarHBondContact O-CD2 3.2Å; H190-Y194 PolarHBondContact O-N 3.16Å
191	V	98.9	Very high	98.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.5	-39	179.7	-60.7	0	0	0	0	112.1	Y142 A144 W187 Y188 W195 Y205 M299 I304 F306	Y142-V191 WeakPolarHBondContact OH-CA 3.4Å; Y142-V191 WeakPolarHBondContact OH-CG1 3.47Å; A144-V191 HydrophobicContact CB-CG1 4.33Å; W187-V191 HydrophobicContact CD2-CG1 4.21Å; W187-V191 HydrophobicContact CD2-CG2 4.34Å; W187-V191 HydrophobicContact CE3-CG2 4.17Å; W187-V191 HydrophobicContact CH2-CG2 3.84Å; W187-V191 HydrophobicContact CZ2-CG1 3.87Å; W187-V191 HydrophobicContact CZ2-CG2 4.06Å; W187-V191 HydrophobicContact CZ3-CG2 3.91Å; W187-V191 WeakPolarHBondContact O-CG2 3.41Å; W187-V191 PolarHBondContact O-N 2.92Å; Y188-V191 WeakPolarHBondContact O-CG2 3.35Å; V191-W195 WeakPolarHBondContact O-CB 3.2Å; V191-W195 PolarHBondContact O-N 3.36Å; V191-Y205 PolarHBondContact O-OH 2.96Å; V191-M299 HydrophobicContact CG2-CE 4.19Å; V191-I304 HydrophobicContact CB-CD1 4.42Å; V191-I304 HydrophobicContact CG2-CD1 4.14Å; V191-F306 HydrophobicContact CB-CE2 4.44Å; V191-F306 HydrophobicContact CB-CZ 4Å; V191-F306 HydrophobicContact CG1-CZ 3.97Å; V191-F306 HydrophobicContact CG2-CE2 4.11Å; V191-F306 HydrophobicContact CG2-CZ 4.13Å
192	K	98.7	Very high	98.3	Very high	41 Å²	41	42.3 Å²	42.3	18%	0.178	21%	0.208	C	C	.	.	H	α-helix	trans	-64.2	-43	177.5	-74.6	-179.1	-61.8	-177.5	0	111.9	Y188 D189 W195 V196 Q298 M299 V302 I304	Y188-K192 VanDerWaalsContact O-CB 3.31Å; Y188-K192 WeakPolarHBondContact O-CB 3.28Å; Y188-K192 WeakPolarHBondContact O-CE 3.49Å; Y188-K192 VanDerWaalsContact O-CG 3.22Å; Y188-K192 WeakPolarHBondContact O-CG 3.5Å; Y188-K192 PolarHBondContact O-N 3.39Å; D189-K192 WeakPolarHBondContact OD1-CE 3.35Å; D189-K192 IonicContact OD1-NZ 3.98Å; D189-K192 PolarHBondContact OD1-NZ 2.99Å; K192-W195 WeakPolarHBondContact O-CB 3.31Å; K192-W195 PolarHBondContact O-N 2.87Å; K192-V196 WeakPolarHBondContact O-CG2 3.24Å; K192-V196 PolarHBondContact O-N 3.39Å; K192-Q298 PolarHBondContact NZ-O 3.49Å; K192-Q298 VanDerWaalsContact NZ-O 3.14Å; K192-M299 HydrophobicContact CD-SD 4.1Å; K192-M299 HydrophobicContact CG-CE 4.23Å; K192-M299 HydrophobicContact CG-SD 4.13Å; K192-V302 HydrophobicContact CD-CB 4.39Å; K192-V302 HydrophobicContact CD-CG2 3.86Å; K192-V302 HydrophobicContact CG-CB 4.23Å; K192-V302 HydrophobicContact CG-CG2 3.96Å; K192-I304 HydrophobicContact CG-CD1 4.44Å
193	G	98.3	Very high	98.3	Very high	21 Å²	21	42.7 Å²	42.7	22%	0.216	21%	0.21	C	C	.	.	H	α-helix	trans	-58.5	-55.6	-179	0	0	0	0	0	111.9	D189 H190 W195 V196 E197	D189-G193 PolarHBondContact O-N 3.36Å; H190-G193 PolarHBondContact O-N 2.93Å; G193-W195 VanDerWaalsContact C-N 3.28Å; G193-W195 PolarHBondContact O-N 3.07Å; G193-V196 PolarHBondContact O-N 3.5Å; G193-E197 WeakPolarHBondContact O-CB 3.27Å; G193-E197 VanDerWaalsContact O-CG 3.27Å; G193-E197 WeakPolarHBondContact O-CG 3.45Å; G193-E197 PolarHBondContact O-N 3.47Å; G193-E197 VanDerWaalsContact O-N 3.11Å
194	Y	98.8	Very high	98.3	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-33.5	176.2	-77.6	-88.2	0	0	0	112.6	A58 L124 F126 V129 W134 Y142 H190 R198 I203	A58-Y194 HydrophobicContact CB-CD1 4.41Å; A58-Y194 HydrophobicContact CB-CE1 3.53Å; A58-Y194 HydrophobicContact CB-CE2 4.48Å; A58-Y194 WeakPolarHBondContact CB-OH 3.49Å; L124-Y194 PolarHBondContact O-OH 3.05Å; F126-Y194 HydrophobicContact CB-CD1 4.5Å; F126-Y194 HydrophobicContact CB-CD2 4.02Å; F126-Y194 HydrophobicContact CB-CE1 4.44Å; F126-Y194 HydrophobicContact CB-CE2 3.97Å; F126-Y194 HydrophobicContact CB-CG 4.3Å; F126-Y194 HydrophobicContact CD2-CD1 4.16Å; F126-Y194 HydrophobicContact CD2-CE1 4.19Å; F126-Y194 VanDerWaalsContact N-CE2 3.32Å; V129-Y194 WeakPolarHBondContact CG2-OH 3.4Å; W134-Y194 HydrophobicContact CH2-CE1 4.27Å; Y142-Y194 HydrophobicContact CD1-CG 4.4Å; Y142-Y194 AromaticContact CD2-CD1 3.38Å; Y142-Y194 HydrophobicContact CD2-CD1 3.38Å; Y142-Y194 AromaticContact CD2-CD2 3.51Å; Y142-Y194 HydrophobicContact CD2-CD2 3.51Å; Y142-Y194 AromaticContact CD2-CE1 3.82Å; Y142-Y194 HydrophobicContact CD2-CE1 3.82Å; Y142-Y194 AromaticContact CD2-CE2 3.93Å; Y142-Y194 HydrophobicContact CD2-CE2 3.93Å; Y142-Y194 AromaticContact CD2-CG 3.2Å; Y142-Y194 HydrophobicContact CD2-CG 3.2Å; Y142-Y194 AromaticContact CE2-CD1 4Å; Y142-Y194 HydrophobicContact CE2-CD1 4Å; Y142-Y194 AromaticContact CE2-CD2 3.17Å; Y142-Y194 HydrophobicContact CE2-CD2 3.17Å; Y142-Y194 HydrophobicContact CE2-CE1 4.37Å; Y142-Y194 AromaticContact CE2-CE2 3.62Å; Y142-Y194 HydrophobicContact CE2-CE2 3.62Å; Y142-Y194 AromaticContact CE2-CG 3.38Å; Y142-Y194 HydrophobicContact CE2-CG 3.38Å; Y142-Y194 AromaticContact CG-CD1 3.92Å; Y142-Y194 HydrophobicContact CG-CD1 3.92Å; Y142-Y194 HydrophobicContact CG-CD2 4.42Å; Y142-Y194 AromaticContact CG-CG 3.76Å; Y142-Y194 HydrophobicContact CG-CG 3.76Å; Y142-Y194 AromaticContact CZ-CD2 3.85Å; H190-Y194 AromaticContact CE1-CD2 3.94Å; H190-Y194 AromaticContact CE1-CE2 3.47Å; H190-Y194 VanDerWaalsContact CE1-CE2 3.47Å; H190-Y194 WeakPolarHBondContact CE1-CE2 3.24Å; H190-Y194 AromaticContact ND1-CD2 3.84Å; H190-Y194 AromaticContact ND1-CE2 3.83Å; H190-Y194 WeakPolarHBondContact O-CD2 3.2Å; H190-Y194 PolarHBondContact O-N 3.16Å; Y194-R198 WeakPolarHBondContact O-CB 3.3Å; Y194-R198 PolarHBondContact O-N 3.35Å; Y194-R198 VanDerWaalsContact O-N 3.13Å; Y194-I203 HydrophobicContact CD1-CD1 4.27Å
195	W	98.6	Very high	98.4	Very high	38 Å²	38	44 Å²	44	14%	0.144	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-54.8	176.1	-178.4	-105.7	0	0	0	110.5	V191 K192 G193 E197 R198 Y205 F207 V302 I304 P305	V191-W195 WeakPolarHBondContact O-CB 3.2Å; V191-W195 PolarHBondContact O-N 3.36Å; K192-W195 WeakPolarHBondContact O-CB 3.31Å; K192-W195 PolarHBondContact O-N 2.87Å; G193-W195 VanDerWaalsContact C-N 3.28Å; G193-W195 PolarHBondContact O-N 3.07Å; W195-E197 VanDerWaalsContact C-N 3.32Å; W195-E197 PolarHBondContact O-N 2.82Å; W195-R198 VanDerWaalsContact CE2-NH1 3.26Å; W195-R198 VanDerWaalsContact CG-NH1 3.34Å; W195-R198 VanDerWaalsContact CH2-NH2 3.32Å; W195-R198 VanDerWaalsContact O-CD 3.24Å; W195-R198 WeakPolarHBondContact O-CD 3.36Å; W195-R198 WeakPolarHBondContact O-CG 3.49Å; W195-R198 PolarHBondContact O-N 3.06Å; W195-R198 PolarHBondContact O-NH1 3.28Å; W195-Y205 HydrophobicContact CB-CD2 4.46Å; W195-Y205 HydrophobicContact CB-CE2 3.84Å; W195-Y205 AromaticContact CE3-CD1 3.76Å; W195-Y205 HydrophobicContact CE3-CD1 3.76Å; W195-Y205 AromaticContact CE3-CD2 3.94Å; W195-Y205 HydrophobicContact CE3-CD2 3.94Å; W195-Y205 AromaticContact CE3-CE1 3.75Å; W195-Y205 HydrophobicContact CE3-CE1 3.75Å; W195-Y205 AromaticContact CE3-CE2 3.92Å; W195-Y205 HydrophobicContact CE3-CE2 3.92Å; W195-Y205 AromaticContact CE3-CG 3.85Å; W195-Y205 HydrophobicContact CE3-CG 3.85Å; W195-Y205 AromaticContact CE3-CZ 3.82Å; W195-Y205 AromaticContact CZ3-CD1 3.87Å; W195-Y205 HydrophobicContact CZ3-CD1 3.87Å; W195-Y205 HydrophobicContact CZ3-CE1 4.08Å; W195-Y205 HydrophobicContact CZ3-CG 4.22Å; W195-F207 HydrophobicContact CE3-CZ 4.44Å; W195-F207 HydrophobicContact CH2-CZ 4.22Å; W195-F207 HydrophobicContact CZ3-CE2 4.14Å; W195-F207 AromaticContact CZ3-CZ 3.71Å; W195-F207 HydrophobicContact CZ3-CZ 3.71Å; W195-V302 HydrophobicContact CG-CG1 4.35Å; W195-I304 HydrophobicContact CB-CD1 3.67Å; W195-I304 HydrophobicContact CB-CG1 4.34Å; W195-I304 HydrophobicContact CD2-CD1 4.15Å; W195-I304 HydrophobicContact CD2-CG1 3.91Å; W195-I304 HydrophobicContact CD2-CG2 4.16Å; W195-I304 HydrophobicContact CE3-CG2 4.04Å; W195-I304 HydrophobicContact CG-CD1 3.7Å; W195-I304 HydrophobicContact CG-CG1 3.8Å; W195-I304 HydrophobicContact CH2-CG2 4.4Å; W195-I304 HydrophobicContact CZ2-CG2 4.5Å; W195-I304 HydrophobicContact CZ3-CG2 4.19Å; W195-P305 HydrophobicContact CH2-CG 4.44Å
196	V	98.1	Very high	98.4	Very high	78 Å²	78	43.9 Å²	43.9	47%	0.473	22%	0.215	S	C	.	.	H	α-helix	trans	-57.8	-47.4	-178.6	170.9	0	0	0	0	111.1	K192 G193 R198 K199	K192-V196 WeakPolarHBondContact O-CG2 3.24Å; K192-V196 PolarHBondContact O-N 3.39Å; G193-V196 PolarHBondContact O-N 3.5Å; V196-R198 VanDerWaalsContact C-N 3.3Å; V196-R198 PolarHBondContact O-N 2.93Å; V196-K199 PolarHBondContact O-N 3.38Å
197	E	97.9	Very high	98.4	Very high	58 Å²	58	43.5 Å²	43.5	27%	0.271	21%	0.21	S	C	.	.	H	α-helix	trans	-72.2	-21	-172.5	-68.2	-74.3	156.4	0	0	113.7	F126 G193 W195 K199 E200 K201 I203	F126-E197 HydrophobicContact CD1-CB 4.36Å; F126-E197 HydrophobicContact CD1-CG 3.6Å; F126-E197 HydrophobicContact CD2-CB 3.87Å; F126-E197 HydrophobicContact CD2-CG 4.02Å; F126-E197 HydrophobicContact CE1-CB 4.06Å; F126-E197 HydrophobicContact CE1-CG 3.35Å; F126-E197 HydrophobicContact CE2-CB 3.52Å; F126-E197 HydrophobicContact CE2-CG 3.79Å; F126-E197 HydrophobicContact CG-CB 4.27Å; F126-E197 HydrophobicContact CG-CG 3.93Å; F126-E197 HydrophobicContact CZ-CB 3.61Å; F126-E197 HydrophobicContact CZ-CG 3.44Å; F126-E197 VanDerWaalsContact CZ-CG 3.44Å; F126-E197 VanDerWaalsContact CZ-OE2 3.29Å; F126-E197 WeakPolarHBondContact CZ-OE2 3.34Å; G193-E197 WeakPolarHBondContact O-CB 3.27Å; G193-E197 VanDerWaalsContact O-CG 3.27Å; G193-E197 WeakPolarHBondContact O-CG 3.45Å; G193-E197 PolarHBondContact O-N 3.47Å; G193-E197 VanDerWaalsContact O-N 3.11Å; W195-E197 VanDerWaalsContact C-N 3.32Å; W195-E197 PolarHBondContact O-N 2.82Å; E197-K199 PolarHBondContact O-N 3.42Å; E197-E200 PolarHBondContact O-N 2.78Å; E197-K201 HydrophobicContact CB-CG 4.24Å; E197-K201 WeakPolarHBondContact O-CB 3.27Å; E197-K201 PolarHBondContact O-N 3.21Å; E197-I203 HydrophobicContact CB-CD1 4.3Å
198	R	97.7	Very high	98.4	Very high	69 Å²	69	44.2 Å²	44.2	26%	0.26	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-18.7	176.4	88.3	-162.3	-174.2	-78.4	7.4	114.1	Y194 W195 V196 I203	Y194-R198 WeakPolarHBondContact O-CB 3.3Å; Y194-R198 PolarHBondContact O-N 3.35Å; Y194-R198 VanDerWaalsContact O-N 3.13Å; W195-R198 VanDerWaalsContact CE2-NH1 3.26Å; W195-R198 VanDerWaalsContact CG-NH1 3.34Å; W195-R198 VanDerWaalsContact CH2-NH2 3.32Å; W195-R198 VanDerWaalsContact O-CD 3.24Å; W195-R198 WeakPolarHBondContact O-CD 3.36Å; W195-R198 WeakPolarHBondContact O-CG 3.49Å; W195-R198 PolarHBondContact O-N 3.06Å; W195-R198 PolarHBondContact O-NH1 3.28Å; V196-R198 VanDerWaalsContact C-N 3.3Å; V196-R198 PolarHBondContact O-N 2.93Å; R198-I203 HydrophobicContact CB-CB 3.98Å; R198-I203 HydrophobicContact CB-CG2 4.25Å
199	K	96.9	Very high	98.4	Very high	155 Å²	155	44.2 Å²	44.2	67%	0.674	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-32.5	178.1	-65.7	-178.5	178.3	-179.6	0	112.1	V196 E197	V196-K199 PolarHBondContact O-N 3.38Å; E197-K199 PolarHBondContact O-N 3.42Å
200	E	96.7	Very high	98.4	Very high	159 Å²	159	41.6 Å²	41.6	74%	0.743	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-25.2	-173.6	-58	-56	137.1	0	0	112.5	E197	E197-E200 PolarHBondContact O-N 2.78Å
201	K	97.9	Very high	98.4	Very high	78 Å²	78	41.6 Å²	41.6	34%	0.339	20%	0.199	S	C	.	.	S	Bend	trans	-104.5	158.5	-178.3	-53.5	-54.2	-178.1	-172.8	0	111	F126 W134 E197 I203	F126-K201 HydrophobicContact CE2-CG 4.05Å; F126-K201 HydrophobicContact CZ-CG 3.93Å; W134-K201 HydrophobicContact CB-CD 4.41Å; E197-K201 HydrophobicContact CB-CG 4.24Å; E197-K201 WeakPolarHBondContact O-CB 3.27Å; E197-K201 PolarHBondContact O-N 3.21Å; K201-I203 HydrophobicContact CB-CD1 3.75Å; K201-I203 HydrophobicContact CB-CG1 3.84Å; K201-I203 HydrophobicContact CG-CD1 4.46Å; K201-I203 PolarHBondContact O-N 3.36Å
202	N	98.3	Very high	98.4	Very high	63 Å²	63	44.5 Å²	44.5	34%	0.337	21%	0.212	S	C	.	.	S	Bend	trans	-75.6	75.1	176.8	-170.4	1.8	0	0	0	110.7	K137 K139 A140 Y225	K137-N202 PolarHBondContact O-ND2 3.35Å; K139-N202 WeakPolarHBondContact CG-ND2 3.49Å; A140-N202 PolarHBondContact N-O 3.23Å; N202-Y225 PolarHBondContact O-OH 3.06Å; N202-Y225 WeakPolarHBondContact OD1-CE2 3.4Å; N202-Y225 PolarHBondContact OD1-OH 3.48Å
203	I	98.8	Very high	98.3	Very high	15 Å²	15	47 Å²	47	8%	0.077	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.3	-176.1	-55	172.2	0	0	0	110.2	F126 A140 Y194 E197 R198 K201	F126-I203 HydrophobicContact CD2-CD1 4.33Å; F126-I203 HydrophobicContact CE2-CD1 4.06Å; A140-I203 HydrophobicContact CB-CG1 4.11Å; A140-I203 CarbonylContact O-C 3.47Å; A140-I203 VanDerWaalsContact O-CA 3.28Å; A140-I203 WeakPolarHBondContact O-CA 3.48Å; Y194-I203 HydrophobicContact CD1-CD1 4.27Å; E197-I203 HydrophobicContact CB-CD1 4.3Å; R198-I203 HydrophobicContact CB-CB 3.98Å; R198-I203 HydrophobicContact CB-CG2 4.25Å; K201-I203 HydrophobicContact CB-CD1 3.75Å; K201-I203 HydrophobicContact CB-CG1 3.84Å; K201-I203 HydrophobicContact CG-CD1 4.46Å; K201-I203 PolarHBondContact O-N 3.36Å
204	L	98.9	Very high	98.3	Very high	23 Å²	23	49 Å²	49	12%	0.12	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	112.3	162.2	174.3	62.5	0	0	0	109.3	A140 I141 Y142 L206 I222 Y225	A140-L204 PolarHBondContact O-N 3.4Å; I141-L204 WeakPolarHBondContact CA-O 3.31Å; I141-L204 HydrophobicContact CG1-CB 4.23Å; I141-L204 HydrophobicContact CG1-CD2 4.31Å; Y142-L204 PolarHBondContact N-O 3.38Å; L204-L206 HydrophobicContact CD1-CD2 3.89Å; L204-L206 HydrophobicContact CD2-CD1 4.21Å; L204-L206 HydrophobicContact CD2-CD2 3.99Å; L204-L206 HydrophobicContact CD2-CG 4.21Å; L204-L206 HydrophobicContact CG-CD1 4.48Å; L204-L206 HydrophobicContact CG-CD2 3.82Å; L204-L206 HydrophobicContact CG-CG 3.98Å; L204-I222 HydrophobicContact CD2-CG1 4.22Å; L204-Y225 HydrophobicContact CB-CD1 3.65Å; L204-Y225 HydrophobicContact CB-CD2 3.75Å; L204-Y225 HydrophobicContact CB-CE1 3.7Å; L204-Y225 HydrophobicContact CB-CE2 3.81Å; L204-Y225 HydrophobicContact CB-CG 3.68Å; L204-Y225 HydrophobicContact CD2-CD1 3.78Å; L204-Y225 HydrophobicContact CD2-CD2 4.45Å; L204-Y225 HydrophobicContact CD2-CG 3.69Å; L204-Y225 HydrophobicContact CG-CD1 4.35Å; L204-Y225 HydrophobicContact CG-CG 4.2Å
205	Y	98.9	Very high	98.3	Very high	13 Å²	13	50.9 Å²	50.9	5%	0.051	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.4	177	-160.2	-69.5	0	0	0	110.6	Y142 A144 V191 W195 F207	Y142-Y205 HydrophobicContact CD1-CD1 4.39Å; Y142-Y205 AromaticContact CD1-CD2 3.5Å; Y142-Y205 HydrophobicContact CD1-CD2 3.5Å; Y142-Y205 VanDerWaalsContact CD1-CD2 3.5Å; Y142-Y205 HydrophobicContact CD1-CE1 4.11Å; Y142-Y205 AromaticContact CD1-CE2 3.15Å; Y142-Y205 HydrophobicContact CD1-CE2 3.15Å; Y142-Y205 HydrophobicContact CD1-CG 4.12Å; Y142-Y205 AromaticContact CD1-CZ 3.5Å; Y142-Y205 HydrophobicContact CE1-CD2 4.26Å; Y142-Y205 HydrophobicContact CE1-CE1 4.37Å; Y142-Y205 AromaticContact CE1-CE2 3.45Å; Y142-Y205 HydrophobicContact CE1-CE2 3.45Å; Y142-Y205 VanDerWaalsContact CE1-CE2 3.45Å; Y142-Y205 AromaticContact CE1-CZ 3.52Å; Y142-Y205 WeakPolarHBondContact CE1-OH 3.42Å; Y142-Y205 HydrophobicContact CG-CD2 4.17Å; Y142-Y205 HydrophobicContact CG-CE2 4.13Å; Y142-Y205 WeakPolarHBondContact O-CA 3.35Å; A144-Y205 HydrophobicContact CB-CE1 3.55Å; A144-Y205 VanDerWaalsContact CB-OH 3.24Å; A144-Y205 WeakPolarHBondContact CB-OH 3.36Å; V191-Y205 PolarHBondContact O-OH 2.96Å; W195-Y205 HydrophobicContact CB-CD2 4.46Å; W195-Y205 HydrophobicContact CB-CE2 3.84Å; W195-Y205 AromaticContact CE3-CD1 3.76Å; W195-Y205 HydrophobicContact CE3-CD1 3.76Å; W195-Y205 AromaticContact CE3-CD2 3.94Å; W195-Y205 HydrophobicContact CE3-CD2 3.94Å; W195-Y205 AromaticContact CE3-CE1 3.75Å; W195-Y205 HydrophobicContact CE3-CE1 3.75Å; W195-Y205 AromaticContact CE3-CE2 3.92Å; W195-Y205 HydrophobicContact CE3-CE2 3.92Å; W195-Y205 AromaticContact CE3-CG 3.85Å; W195-Y205 HydrophobicContact CE3-CG 3.85Å; W195-Y205 AromaticContact CE3-CZ 3.82Å; W195-Y205 AromaticContact CZ3-CD1 3.87Å; W195-Y205 HydrophobicContact CZ3-CD1 3.87Å; W195-Y205 HydrophobicContact CZ3-CE1 4.08Å; W195-Y205 HydrophobicContact CZ3-CG 4.22Å; Y205-F207 HydrophobicContact CD1-CE1 4.38Å; Y205-F207 HydrophobicContact CD1-CE2 4.11Å; Y205-F207 AromaticContact CD1-CZ 3.92Å; Y205-F207 HydrophobicContact CD1-CZ 3.92Å; Y205-F207 HydrophobicContact CE1-CD1 4.38Å; Y205-F207 AromaticContact CE1-CE1 3.71Å; Y205-F207 HydrophobicContact CE1-CE1 3.71Å; Y205-F207 HydrophobicContact CE1-CE2 4.24Å; Y205-F207 AromaticContact CE1-CZ 3.61Å; Y205-F207 HydrophobicContact CE1-CZ 3.61Å
206	L	98.9	Very high	98.3	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	159.7	-178.9	-57.2	177.6	0	0	0	111.3	I141 Y142 V143 A144 L204 I222	I141-L206 HydrophobicContact CG2-CD1 3.81Å; I141-L206 HydrophobicContact CG2-CG 4.42Å; Y142-L206 PolarHBondContact O-N 3.02Å; V143-L206 HydrophobicContact CG1-CB 4.47Å; V143-L206 HydrophobicContact CG2-CB 4.22Å; V143-L206 HydrophobicContact CG2-CD1 4.37Å; A144-L206 PolarHBondContact N-O 2.87Å; L204-L206 HydrophobicContact CD1-CD2 3.89Å; L204-L206 HydrophobicContact CD2-CD1 4.21Å; L204-L206 HydrophobicContact CD2-CD2 3.99Å; L204-L206 HydrophobicContact CD2-CG 4.21Å; L204-L206 HydrophobicContact CG-CD1 4.48Å; L204-L206 HydrophobicContact CG-CD2 3.82Å; L204-L206 HydrophobicContact CG-CG 3.98Å; L206-I222 HydrophobicContact CD1-CD1 3.75Å; L206-I222 HydrophobicContact CD1-CG1 3.65Å
207	F	98.9	Very high	98.4	Very high	15 Å²	15	52.1 Å²	52.1	7%	0.066	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.5	173.7	-63.5	-83.7	0	0	0	109.9	A144 W195 Y205 E209 D210 M211 I304 P305 F306	A144-F207 HydrophobicContact CB-CD1 4.29Å; A144-F207 HydrophobicContact CB-CE1 4.4Å; A144-F207 CarbonylContact O-C 3.56Å; A144-F207 WeakPolarHBondContact O-CA 3.18Å; W195-F207 HydrophobicContact CE3-CZ 4.44Å; W195-F207 HydrophobicContact CH2-CZ 4.22Å; W195-F207 HydrophobicContact CZ3-CE2 4.14Å; W195-F207 AromaticContact CZ3-CZ 3.71Å; W195-F207 HydrophobicContact CZ3-CZ 3.71Å; Y205-F207 HydrophobicContact CD1-CE1 4.38Å; Y205-F207 HydrophobicContact CD1-CE2 4.11Å; Y205-F207 AromaticContact CD1-CZ 3.92Å; Y205-F207 HydrophobicContact CD1-CZ 3.92Å; Y205-F207 HydrophobicContact CE1-CD1 4.38Å; Y205-F207 AromaticContact CE1-CE1 3.71Å; Y205-F207 HydrophobicContact CE1-CE1 3.71Å; Y205-F207 HydrophobicContact CE1-CE2 4.24Å; Y205-F207 AromaticContact CE1-CZ 3.61Å; Y205-F207 HydrophobicContact CE1-CZ 3.61Å; F207-E209 PolarHBondContact O-N 3.48Å; F207-D210 HydrophobicContact CB-CB 4.12Å; F207-D210 WeakPolarHBondContact O-CB 3.32Å; F207-D210 PolarHBondContact O-N 3.4Å; F207-D210 VanDerWaalsContact O-N 3.11Å; F207-M211 WeakPolarHBondContact O-CG 3.31Å; F207-M211 PolarHBondContact O-N 3.47Å; F207-I304 HydrophobicContact CE1-CG2 3.55Å; F207-I304 HydrophobicContact CZ-CG2 3.64Å; F207-P305 HydrophobicContact CE2-CG 4.11Å; F207-P305 HydrophobicContact CZ-CG 3.91Å; F207-F306 AromaticContact CD1-CD1 3.92Å; F207-F306 HydrophobicContact CD1-CD1 3.92Å; F207-F306 AromaticContact CD1-CE1 3.91Å; F207-F306 HydrophobicContact CD1-CE1 3.91Å; F207-F306 AromaticContact CE1-CD1 3.99Å; F207-F306 HydrophobicContact CE1-CD1 3.99Å; F207-F306 AromaticContact CE1-CE1 3.85Å; F207-F306 HydrophobicContact CE1-CE1 3.85Å; F207-F306 HydrophobicContact CE1-CG 4.48Å; F207-F306 HydrophobicContact CE1-CZ 4.23Å
208	Y	98.8	Very high	98.4	Very high	15 Å²	15	49.4 Å²	49.4	6%	0.059	23%	0.226	C	C	.	.	H	α-helix	trans	-55.1	-37	174.5	179.8	-93.4	0	0	0	111.3	W67 A144 R145 M211 K212 G274 V276	W67-Y208 AromaticContact CE3-CD2 3.99Å; W67-Y208 HydrophobicContact CE3-CD2 3.99Å; W67-Y208 AromaticContact CE3-CE2 3.6Å; W67-Y208 HydrophobicContact CE3-CE2 3.6Å; W67-Y208 HydrophobicContact CZ3-CD2 4.07Å; W67-Y208 AromaticContact CZ3-CE2 3.74Å; W67-Y208 HydrophobicContact CZ3-CE2 3.74Å; A144-Y208 PolarHBondContact O-N 2.68Å; R145-Y208 HydrophobicContact CB-CG 4.36Å; R145-Y208 HydrophobicContact CG-CD1 3.94Å; R145-Y208 HydrophobicContact CG-CG 3.97Å; Y208-M211 WeakPolarHBondContact O-CB 3.48Å; Y208-M211 PolarHBondContact O-N 3.39Å; Y208-K212 HydrophobicContact CD1-CG 3.99Å; Y208-K212 HydrophobicContact CE1-CD 4.18Å; Y208-K212 HydrophobicContact CE1-CG 3.48Å; Y208-K212 VanDerWaalsContact CE1-CG 3.48Å; Y208-K212 WeakPolarHBondContact O-CB 3.49Å; Y208-K212 WeakPolarHBondContact O-CG 3.43Å; Y208-K212 PolarHBondContact O-N 3.2Å; Y208-G274 VanDerWaalsContact OH-C 3.27Å; Y208-G274 WeakPolarHBondContact OH-CA 3.08Å; Y208-G274 PolarHBondContact OH-O 3.12Å; Y208-V276 HydrophobicContact CD1-CG2 4.05Å; Y208-V276 HydrophobicContact CE1-CG2 4.02Å
209	E	98.8	Very high	98.5	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-40.8	178.7	-63.2	75.6	-157.8	0	0	112.3	R145 N146 F207 M211 K212 E213 V276 R307 I310	R145-E209 WeakPolarHBondContact CG-OE1 3.43Å; N146-E209 WeakPolarHBondContact CB-OE1 3.44Å; N146-E209 PolarHBondContact N-OE1 3.42Å; N146-E209 PolarHBondContact ND2-OE1 2.61Å; F207-E209 PolarHBondContact O-N 3.48Å; E209-M211 VanDerWaalsContact C-N 3.33Å; E209-K212 PolarHBondContact O-N 3.11Å; E209-E213 WeakPolarHBondContact O-CB 3.45Å; E209-E213 PolarHBondContact O-N 2.82Å; E209-V276 HydrophobicContact CB-CG2 4.36Å; E209-V276 HydrophobicContact CG-CG1 3.77Å; E209-V276 HydrophobicContact CG-CG2 3.91Å; E209-R307 HydrophobicContact CB-CB 4.34Å; E209-R307 HydrophobicContact CG-CB 4.26Å; E209-R307 VanDerWaalsContact CG-O 3.29Å; E209-R307 WeakPolarHBondContact CG-O 3.37Å; E209-I310 HydrophobicContact CB-CG2 4.06Å
210	D	98.8	Very high	98.6	Very high	29 Å²	29	41.3 Å²	41.3	16%	0.155	19%	0.193	C	C	.	.	H	α-helix	trans	-63.8	-42	174.5	-69.4	-5	0	0	0	110.9	F207 K212 E213 N214 R217 E218 R307	F207-D210 HydrophobicContact CB-CB 4.12Å; F207-D210 WeakPolarHBondContact O-CB 3.32Å; F207-D210 PolarHBondContact O-N 3.4Å; F207-D210 VanDerWaalsContact O-N 3.11Å; D210-K212 VanDerWaalsContact C-N 3.28Å; D210-K212 PolarHBondContact O-N 3.49Å; D210-E213 PolarHBondContact O-N 3.04Å; D210-N214 PolarHBondContact O-N 2.79Å; D210-R217 PolarHBondContact O-NH2 3.32Å; D210-R217 IonicContact OD1-NH2 2.84Å; D210-E218 HydrophobicContact CB-CG 4.08Å; D210-R307 IonicContact OD1-CZ 3.29Å; D210-R307 IonicContact OD1-NE 3.32Å; D210-R307 IonicContact OD1-NH2 2.95Å; D210-R307 PolarHBondContact OD1-NH2 3.44Å
211	M	98.6	Very high	98.6	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-36.9	176.4	-63.6	172	69.3	0	0	111.1	W67 I71 V143 F207 Y208 E209 P215 E218	W67-M211 HydrophobicContact CD2-CE 3.83Å; W67-M211 HydrophobicContact CE3-CB 4.22Å; W67-M211 HydrophobicContact CE3-CE 3.79Å; W67-M211 HydrophobicContact CG-CE 4.23Å; W67-M211 VanDerWaalsContact CH2-C 3.41Å; W67-M211 HydrophobicContact CH2-CB 3.63Å; W67-M211 VanDerWaalsContact CH2-O 3.27Å; W67-M211 WeakPolarHBondContact CH2-O 3.35Å; W67-M211 HydrophobicContact CZ2-CB 4.38Å; W67-M211 HydrophobicContact CZ3-CB 3.51Å; W67-M211 HydrophobicContact CZ3-CE 4.25Å; I71-M211 HydrophobicContact CD1-CE 3.64Å; V143-M211 HydrophobicContact CG1-SD 3.86Å; F207-M211 WeakPolarHBondContact O-CG 3.31Å; F207-M211 PolarHBondContact O-N 3.47Å; Y208-M211 WeakPolarHBondContact O-CB 3.48Å; Y208-M211 PolarHBondContact O-N 3.39Å; E209-M211 VanDerWaalsContact C-N 3.33Å; M211-P215 WeakPolarHBondContact O-CA 3.33Å; M211-P215 WeakPolarHBondContact O-CD 3.24Å; M211-P215 WeakPolarHBondContact O-CG 3.28Å; M211-E218 HydrophobicContact CB-CB 4.41Å; M211-E218 HydrophobicContact CB-CG 4.23Å; M211-E218 HydrophobicContact CG-CB 3.84Å; M211-E218 HydrophobicContact CG-CG 3.83Å
212	K	98.4	Very high	98.7	Very high	62 Å²	62	33.5 Å²	33.5	27%	0.27	16%	0.155	S	C	.	.	H	α-helix	trans	-72.8	-41.5	177.6	-80.9	-61.6	-49.9	-170.7	0	113.2	W67 Y208 E209 D210 G274 V276 I310	W67-K212 HydrophobicContact CH2-CD 3.63Å; W67-K212 HydrophobicContact CH2-CG 4Å; W67-K212 HydrophobicContact CZ3-CD 3.73Å; W67-K212 HydrophobicContact CZ3-CG 3.83Å; Y208-K212 HydrophobicContact CD1-CG 3.99Å; Y208-K212 HydrophobicContact CE1-CD 4.18Å; Y208-K212 HydrophobicContact CE1-CG 3.48Å; Y208-K212 VanDerWaalsContact CE1-CG 3.48Å; Y208-K212 WeakPolarHBondContact O-CB 3.49Å; Y208-K212 WeakPolarHBondContact O-CG 3.43Å; Y208-K212 PolarHBondContact O-N 3.2Å; E209-K212 PolarHBondContact O-N 3.11Å; D210-K212 VanDerWaalsContact C-N 3.28Å; D210-K212 PolarHBondContact O-N 3.49Å; K212-G274 WeakPolarHBondContact CD-O 3.27Å; K212-G274 VanDerWaalsContact CE-O 3.24Å; K212-G274 WeakPolarHBondContact CE-O 3.36Å; K212-G274 PolarHBondContact NZ-O 2.8Å; K212-V276 HydrophobicContact CB-CG2 3.98Å; K212-V276 HydrophobicContact CG-CG2 3.96Å; K212-I310 HydrophobicContact CB-CD1 3.64Å
213	E	98.3	Very high	98.7	Very high	92 Å²	92	31.5 Å²	31.5	43%	0.43	14%	0.144	S	C	.	.	H	α-helix	trans	-69	-46.7	-179.7	175.5	-174.6	-114.3	0	0	111.7	E209 D210 R217 R307	E209-E213 WeakPolarHBondContact O-CB 3.45Å; E209-E213 PolarHBondContact O-N 2.82Å; D210-E213 PolarHBondContact O-N 3.04Å; E213-R217 IonicContact OE2-NH1 2.67Å; E213-R217 IonicContact OE2-NH2 3.93Å; E213-R307 IonicContact OE1-CZ 2.73Å; E213-R307 IonicContact OE1-NH1 3.51Å; E213-R307 PolarHBondContact OE1-NH1 3.38Å; E213-R307 IonicContact OE1-NH2 3.86Å; E213-R307 IonicContact OE2-CZ 3.91Å; E213-R307 IonicContact OE2-NH1 3.05Å; E213-R307 PolarHBondContact OE2-NH1 2.86Å; E213-R307 IonicContact OE2-NH2 3.16Å; E213-R307 PolarHBondContact OE2-NH2 2.73Å
214	N	98.4	Very high	98.7	Very high	65 Å²	65	38.3 Å²	38.3	35%	0.348	17%	0.168	S	C	.	.			trans	-140.6	81.8	179.5	-167.1	-28.2	0	0	0	111	D210 R216 R217 E218	D210-N214 PolarHBondContact O-N 2.79Å; N214-R216 VanDerWaalsContact C-N 3.25Å; N214-R216 PolarHBondContact O-N 3.3Å; N214-R216 PolarHBondContact OD1-N 2.71Å; N214-R217 HydrophobicContact CB-CB 4Å; N214-R217 VanDerWaalsContact CG-CB 3.5Å; N214-R217 PolarHBondContact O-N 2.96Å; N214-R217 WeakPolarHBondContact OD1-CB 3.03Å; N214-R217 PolarHBondContact OD1-N 3.37Å; N214-E218 PolarHBondContact O-N 3.4Å
215	P	98.5	Very high	98.7	Very high	40 Å²	40	39.1 Å²	39.1	26%	0.26	17%	0.17	S	C	.	.	H	α-helix	trans	-56.5	-39.5	-179	-22.2	28.5	0	0	0	112.8	M211 E218 V219 V239	M211-P215 WeakPolarHBondContact O-CA 3.33Å; M211-P215 WeakPolarHBondContact O-CD 3.24Å; M211-P215 WeakPolarHBondContact O-CG 3.28Å; P215-E218 PolarHBondContact O-N 2.91Å; P215-V219 VanDerWaalsContact O-CG2 3.28Å; P215-V219 WeakPolarHBondContact O-CG2 3.42Å; P215-V219 PolarHBondContact O-N 3.41Å; P215-V239 HydrophobicContact CB-CG1 4.02Å; P215-V239 HydrophobicContact CB-CG2 4.41Å
216	R	98.6	Very high	98.7	Very high	60 Å²	60	39.5 Å²	39.5	23%	0.226	17%	0.173	C	C	.	.	H	α-helix	trans	-60.8	-48.2	-179.3	179.4	169.5	173.4	105.2	14.2	111.7	N214 E218 V219 E220 D232 I235 N236 V239	N214-R216 VanDerWaalsContact C-N 3.25Å; N214-R216 PolarHBondContact O-N 3.3Å; N214-R216 PolarHBondContact OD1-N 2.71Å; R216-E218 VanDerWaalsContact C-N 3.29Å; R216-E218 PolarHBondContact O-N 3.46Å; R216-V219 PolarHBondContact O-N 2.9Å; R216-E220 IonicContact CZ-OE1 2.87Å; R216-E220 VanDerWaalsContact CZ-OE1 3.29Å; R216-E220 IonicContact NE-OE1 3.3Å; R216-E220 PolarHBondContact NE-OE1 3.18Å; R216-E220 IonicContact NH2-OE1 2.7Å; R216-E220 PolarHBondContact NH2-OE1 3.41Å; R216-E220 WeakPolarHBondContact O-CG 3.32Å; R216-E220 PolarHBondContact O-N 2.67Å; R216-D232 IonicContact CZ-OD1 3.67Å; R216-D232 PolarHBondContact NH1-O 3.45Å; R216-D232 IonicContact NH2-OD1 3.89Å; R216-D232 PolarHBondContact NH2-OD1 3.22Å; R216-I235 HydrophobicContact CG-CG2 3.85Å; R216-N236 PolarHBondContact NH1-ND2 3.44Å; R216-N236 PolarHBondContact NH1-OD1 3.15Å; R216-V239 HydrophobicContact CB-CG2 4.03Å
217	R	98.7	Very high	98.6	Very high	82 Å²	82	45.8 Å²	45.8	31%	0.309	21%	0.206	S	C	.	.	H	α-helix	trans	-56.7	-43.8	176.8	-177.9	-173.7	72.1	-153.5	-4.8	111.3	D210 E213 N214 E220 R221	D210-R217 PolarHBondContact O-NH2 3.32Å; D210-R217 IonicContact OD1-NH2 2.84Å; E213-R217 IonicContact OE2-NH1 2.67Å; E213-R217 IonicContact OE2-NH2 3.93Å; N214-R217 HydrophobicContact CB-CB 4Å; N214-R217 VanDerWaalsContact CG-CB 3.5Å; N214-R217 PolarHBondContact O-N 2.96Å; N214-R217 WeakPolarHBondContact OD1-CB 3.03Å; N214-R217 PolarHBondContact OD1-N 3.37Å; R217-E220 PolarHBondContact O-N 2.94Å; R217-R221 VanDerWaalsContact O-CG 3.32Å; R217-R221 WeakPolarHBondContact O-CG 3.35Å; R217-R221 PolarHBondContact O-N 3.29Å
218	E	98.8	Very high	98.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-73.7	-35.7	-178.7	-59.4	-47.8	129.9	0	0	112.8	D210 M211 N214 P215 R216 R221 I222	D210-E218 HydrophobicContact CB-CG 4.08Å; M211-E218 HydrophobicContact CB-CB 4.41Å; M211-E218 HydrophobicContact CB-CG 4.23Å; M211-E218 HydrophobicContact CG-CB 3.84Å; M211-E218 HydrophobicContact CG-CG 3.83Å; N214-E218 PolarHBondContact O-N 3.4Å; P215-E218 PolarHBondContact O-N 2.91Å; R216-E218 VanDerWaalsContact C-N 3.29Å; R216-E218 PolarHBondContact O-N 3.46Å; E218-R221 PolarHBondContact O-N 3.49Å; E218-R221 IonicContact OE1-NH1 3.36Å; E218-R221 PolarHBondContact OE1-NH1 3.46Å; E218-R221 WeakPolarHBondContact OE2-CD 3.44Å; E218-R221 IonicContact OE2-CZ 2.67Å; E218-R221 IonicContact OE2-NE 2.76Å; E218-R221 IonicContact OE2-NH1 2.88Å; E218-R221 PolarHBondContact OE2-NH1 3.44Å; E218-I222 WeakPolarHBondContact O-CG1 3.34Å; E218-I222 PolarHBondContact O-N 3.01Å
219	V	98.9	Very high	98.5	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-44.4	170.9	171.3	0	0	0	0	110.7	I71 L75 P215 R216 R221 I222 M223 I235 I238 V239	I71-V219 HydrophobicContact CD1-CG2 4.26Å; I71-V219 HydrophobicContact CG1-CG2 4.32Å; I71-V219 HydrophobicContact CG2-CG2 3.94Å; L75-V219 HydrophobicContact CD2-CG1 4.32Å; P215-V219 VanDerWaalsContact O-CG2 3.28Å; P215-V219 WeakPolarHBondContact O-CG2 3.42Å; P215-V219 PolarHBondContact O-N 3.41Å; R216-V219 PolarHBondContact O-N 2.9Å; V219-R221 VanDerWaalsContact C-N 3.32Å; V219-R221 PolarHBondContact O-N 2.92Å; V219-I222 PolarHBondContact O-N 3.07Å; V219-M223 WeakPolarHBondContact O-CB 3.5Å; V219-M223 PolarHBondContact O-N 3.13Å; V219-I235 HydrophobicContact CG1-CG2 4.17Å; V219-I238 HydrophobicContact CG1-CB 4.45Å; V219-I238 HydrophobicContact CG1-CG2 3.98Å; V219-I238 HydrophobicContact CG2-CG2 4.23Å; V219-V239 HydrophobicContact CB-CG2 4.47Å; V219-V239 HydrophobicContact CG2-CG2 4.07Å
220	E	98.8	Very high	98.4	Very high	52 Å²	52	53.6 Å²	53.6	24%	0.243	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-34.9	175.4	-75.5	169.8	-178.5	0	0	112.8	R216 R217 R224 I235	R216-E220 IonicContact CZ-OE1 2.87Å; R216-E220 VanDerWaalsContact CZ-OE1 3.29Å; R216-E220 IonicContact NE-OE1 3.3Å; R216-E220 PolarHBondContact NE-OE1 3.18Å; R216-E220 IonicContact NH2-OE1 2.7Å; R216-E220 PolarHBondContact NH2-OE1 3.41Å; R216-E220 WeakPolarHBondContact O-CG 3.32Å; R216-E220 PolarHBondContact O-N 2.67Å; R217-E220 PolarHBondContact O-N 2.94Å; E220-R224 WeakPolarHBondContact O-CG 3.47Å; E220-R224 PolarHBondContact O-N 3.15Å; E220-R224 VanDerWaalsContact O-N 3.11Å; E220-R224 PolarHBondContact O-NE 3.34Å; E220-I235 HydrophobicContact CG-CD1 3.83Å; E220-I235 HydrophobicContact CG-CG2 4.23Å
221	R	98.7	Very high	98.3	Very high	73 Å²	73	55 Å²	55	28%	0.275	27%	0.272	S	S	.	.	H	α-helix	trans	-66.8	-45	173.8	-75.2	175.5	70.8	-164.1	4.9	111.5	R217 E218 V219 Y225	R217-R221 VanDerWaalsContact O-CG 3.32Å; R217-R221 WeakPolarHBondContact O-CG 3.35Å; R217-R221 PolarHBondContact O-N 3.29Å; E218-R221 PolarHBondContact O-N 3.49Å; E218-R221 IonicContact OE1-NH1 3.36Å; E218-R221 PolarHBondContact OE1-NH1 3.46Å; E218-R221 WeakPolarHBondContact OE2-CD 3.44Å; E218-R221 IonicContact OE2-CZ 2.67Å; E218-R221 IonicContact OE2-NE 2.76Å; E218-R221 IonicContact OE2-NH1 2.88Å; E218-R221 PolarHBondContact OE2-NH1 3.44Å; V219-R221 VanDerWaalsContact C-N 3.32Å; V219-R221 PolarHBondContact O-N 2.92Å; R221-Y225 WeakPolarHBondContact O-CB 3.39Å; R221-Y225 PolarHBondContact O-N 3.33Å
222	I	98.9	Very high	98.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.4	-49.1	176	-67.4	165.5	0	0	0	110	I71 I72 L75 I141 L204 L206 E218 V219 R224 Y225 L226	I71-I222 HydrophobicContact CG2-CD1 3.84Å; I72-I222 HydrophobicContact CG1-CG2 3.81Å; L75-I222 HydrophobicContact CD1-CB 4.16Å; L75-I222 HydrophobicContact CD1-CG2 3.63Å; I141-I222 HydrophobicContact CD1-CG2 3.98Å; L204-I222 HydrophobicContact CD2-CG1 4.22Å; L206-I222 HydrophobicContact CD1-CD1 3.75Å; L206-I222 HydrophobicContact CD1-CG1 3.65Å; E218-I222 WeakPolarHBondContact O-CG1 3.34Å; E218-I222 PolarHBondContact O-N 3.01Å; V219-I222 PolarHBondContact O-N 3.07Å; I222-R224 PolarHBondContact O-N 3.45Å; I222-Y225 PolarHBondContact O-N 3.42Å; I222-Y225 VanDerWaalsContact O-N 3.13Å; I222-L226 HydrophobicContact CG2-CD1 3.86Å; I222-L226 HydrophobicContact CG2-CG 4.22Å; I222-L226 VanDerWaalsContact O-CG 3.32Å; I222-L226 WeakPolarHBondContact O-CG 3.3Å; I222-L226 PolarHBondContact O-N 3.32Å
223	M	98.7	Very high	98.3	Very high	22 Å²	22	62.7 Å²	62.7	11%	0.108	32%	0.316	C	S	.	.	H	α-helix	trans	-52.2	-51.6	178.3	-179.8	-160.1	67.9	0	0	111.8	L75 V219 Y225 L226 D227 L228 V230 I235	L75-M223 HydrophobicContact CD1-CB 4.24Å; L75-M223 HydrophobicContact CD2-CB 3.89Å; L75-M223 HydrophobicContact CD2-CG 4.09Å; V219-M223 WeakPolarHBondContact O-CB 3.5Å; V219-M223 PolarHBondContact O-N 3.13Å; M223-Y225 PolarHBondContact O-N 2.96Å; M223-L226 PolarHBondContact O-N 3.14Å; M223-D227 PolarHBondContact O-N 2.64Å; M223-L228 HydrophobicContact CG-CB 3.84Å; M223-L228 WeakPolarHBondContact CG-O 3.33Å; M223-L228 PolarHBondContact O-N 2.85Å; M223-V230 HydrophobicContact CG-CG2 4.45Å; M223-V230 HydrophobicContact SD-CG2 3.69Å; M223-I235 HydrophobicContact SD-CD1 4.21Å
224	R	98.7	Very high	98.3	Very high	157 Å²	157	58.8 Å²	58.8	59%	0.592	30%	0.298	S	S	*	.	H	α-helix	trans	-62.4	-41.8	178.7	-75.2	-176.4	-69.5	164.1	-6.4	112.2	E220 I222 L226 D227	E220-R224 WeakPolarHBondContact O-CG 3.47Å; E220-R224 PolarHBondContact O-N 3.15Å; E220-R224 VanDerWaalsContact O-N 3.11Å; E220-R224 PolarHBondContact O-NE 3.34Å; I222-R224 PolarHBondContact O-N 3.45Å; R224-L226 PolarHBondContact O-N 3.12Å; R224-D227 PolarHBondContact O-N 2.89Å
225	Y	98.7	Very high	98.3	Very high	41 Å²	41	55.9 Å²	55.9	16%	0.161	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-30.9	177.2	177.9	-106.3	0	0	0	112.8	K139 A140 I141 N202 L204 R221 I222 M223 D227	K139-Y225 WeakPolarHBondContact CA-OH 3.47Å; K139-Y225 HydrophobicContact CB-CE1 3.97Å; K139-Y225 HydrophobicContact CD-CE1 4.3Å; K139-Y225 WeakPolarHBondContact CE-O 3.31Å; K139-Y225 HydrophobicContact CG-CE1 4.29Å; K139-Y225 PolarHBondContact NZ-O 3.24Å; A140-Y225 PolarHBondContact N-OH 2.88Å; A140-Y225 VanDerWaalsContact N-OH 3.09Å; A140-Y225 PolarHBondContact O-OH 3.42Å; I141-Y225 HydrophobicContact CD1-CD1 4.07Å; I141-Y225 HydrophobicContact CD1-CE1 4.31Å; I141-Y225 HydrophobicContact CG1-CD1 3.82Å; I141-Y225 HydrophobicContact CG1-CE1 3.68Å; N202-Y225 PolarHBondContact O-OH 3.06Å; N202-Y225 WeakPolarHBondContact OD1-CE2 3.4Å; N202-Y225 PolarHBondContact OD1-OH 3.48Å; L204-Y225 HydrophobicContact CB-CD1 3.65Å; L204-Y225 HydrophobicContact CB-CD2 3.75Å; L204-Y225 HydrophobicContact CB-CE1 3.7Å; L204-Y225 HydrophobicContact CB-CE2 3.81Å; L204-Y225 HydrophobicContact CB-CG 3.68Å; L204-Y225 HydrophobicContact CD2-CD1 3.78Å; L204-Y225 HydrophobicContact CD2-CD2 4.45Å; L204-Y225 HydrophobicContact CD2-CG 3.69Å; L204-Y225 HydrophobicContact CG-CD1 4.35Å; L204-Y225 HydrophobicContact CG-CG 4.2Å; R221-Y225 WeakPolarHBondContact O-CB 3.39Å; R221-Y225 PolarHBondContact O-N 3.33Å; I222-Y225 PolarHBondContact O-N 3.42Å; I222-Y225 VanDerWaalsContact O-N 3.13Å; M223-Y225 PolarHBondContact O-N 2.96Å; Y225-D227 PolarHBondContact O-N 3.46Å
226	L	98.4	Very high	98.3	Very high	20 Å²	20	57.9 Å²	57.9	11%	0.105	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	1.9	173.9	-62.4	-177.4	0	0	0	113.6	L55 I72 K139 I141 I222 M223 R224 L228	L55-L226 HydrophobicContact CD1-CD2 4.01Å; L55-L226 HydrophobicContact CD2-CD1 4.33Å; L55-L226 HydrophobicContact CD2-CD2 3.49Å; L55-L226 VanDerWaalsContact CD2-CD2 3.49Å; L55-L226 HydrophobicContact CG-CD2 4.42Å; I72-L226 HydrophobicContact CG1-CD1 4.33Å; I72-L226 HydrophobicContact CG2-CD1 3.96Å; K139-L226 HydrophobicContact CD-CD2 4.41Å; K139-L226 VanDerWaalsContact NZ-C 3.33Å; K139-L226 PolarHBondContact NZ-O 3.43Å; I141-L226 HydrophobicContact CD1-CD2 4.24Å; I222-L226 HydrophobicContact CG2-CD1 3.86Å; I222-L226 HydrophobicContact CG2-CG 4.22Å; I222-L226 VanDerWaalsContact O-CG 3.32Å; I222-L226 WeakPolarHBondContact O-CG 3.3Å; I222-L226 PolarHBondContact O-N 3.32Å; M223-L226 PolarHBondContact O-N 3.14Å; R224-L226 PolarHBondContact O-N 3.12Å; L226-L228 HydrophobicContact CB-CD1 3.85Å; L226-L228 HydrophobicContact CB-CG 3.84Å; L226-L228 HydrophobicContact CD1-CD1 4.11Å; L226-L228 PolarHBondContact O-N 2.67Å
227	D	97.9	Very high	98.3	Very high	132 Å²	132	60 Å²	60	71%	0.706	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	32.3	-173.4	-55.5	-50	0	0	0	113	K139 M223 R224 Y225	K139-D227 IonicContact NZ-OD2 3.53Å; K139-D227 PolarHBondContact NZ-OD2 3.17Å; M223-D227 PolarHBondContact O-N 2.64Å; R224-D227 PolarHBondContact O-N 2.89Å; Y225-D227 PolarHBondContact O-N 3.46Å
228	L	98	Very high	98.3	Very high	53 Å²	53	56.1 Å²	56.1	28%	0.277	29%	0.285	S	S	.	.			trans	-94.7	153.9	177.2	-61.9	174.9	0	0	0	110.9	L75 L76 M223 L226	L75-L228 HydrophobicContact CB-CD1 3.9Å; L76-L228 HydrophobicContact CD2-CD1 4.27Å; M223-L228 HydrophobicContact CG-CB 3.84Å; M223-L228 WeakPolarHBondContact CG-O 3.33Å; M223-L228 PolarHBondContact O-N 2.85Å; L226-L228 HydrophobicContact CB-CD1 3.85Å; L226-L228 HydrophobicContact CB-CG 3.84Å; L226-L228 HydrophobicContact CD1-CD1 4.11Å; L226-L228 PolarHBondContact O-N 2.67Å
229	S	96.3	Very high	98.3	Very high	118 Å²	118	57.8 Å²	57.8	83%	0.825	30%	0.295	S	S	*	.			trans	-133.1	111.8	171.5	178.2	0	0	0	0	108.5
230	V	96.8	Very high	98.3	Very high	24 Å²	24	64.2 Å²	64.2	15%	0.145	33%	0.325	C	S	.	.			trans	-127.4	161.6	176.1	-51.5	0	0	0	0	109.8	L75 N78 M223 V234 I235	L75-V230 HydrophobicContact CD2-CG2 4.32Å; N78-V230 WeakPolarHBondContact OD1-CG1 3.23Å; M223-V230 HydrophobicContact CG-CG2 4.45Å; M223-V230 HydrophobicContact SD-CG2 3.69Å; V230-V234 HydrophobicContact CB-CB 3.98Å; V230-V234 HydrophobicContact CB-CG1 3.79Å; V230-V234 HydrophobicContact CG1-CG1 4.3Å; V230-V234 HydrophobicContact CG2-CB 3.96Å; V230-V234 HydrophobicContact CG2-CG1 3.69Å; V230-I235 HydrophobicContact CG2-CD1 4.43Å; V230-I235 HydrophobicContact CG2-CG1 3.81Å
231	S	98	Very high	98.3	Very high	58 Å²	58	64.5 Å²	64.5	41%	0.406	33%	0.327	S	S	.	.			trans	-73	161.1	-179.6	67.5	0	0	0	0	112.5	D233 V234 I235	S231-D233 PolarHBondContact O-N 3.47Å; S231-V234 WeakPolarHBondContact O-CB 3.37Å; S231-V234 PolarHBondContact O-N 2.92Å; S231-V234 WeakPolarHBondContact OG-CG2 3.4Å; S231-V234 PolarHBondContact OG-N 3.1Å; S231-I235 PolarHBondContact O-N 2.89Å
232	D	98.1	Very high	98.3	Very high	101 Å²	101	61 Å²	61	54%	0.54	32%	0.315	S	S	.	.	H	α-helix	trans	-57.4	-34.4	174.4	-78.3	-24.7	0	0	0	113.1	R216 I235 N236	R216-D232 IonicContact CZ-OD1 3.67Å; R216-D232 PolarHBondContact NH1-O 3.45Å; R216-D232 IonicContact NH2-OD1 3.89Å; R216-D232 PolarHBondContact NH2-OD1 3.22Å; D232-I235 PolarHBondContact O-N 3.22Å; D232-N236 WeakPolarHBondContact O-CB 3.45Å; D232-N236 VanDerWaalsContact O-CG 3.3Å; D232-N236 PolarHBondContact O-N 2.91Å; D232-N236 PolarHBondContact O-ND2 3.2Å
233	D	98.2	Very high	98.2	Very high	124 Å²	124	63 Å²	63	66%	0.663	33%	0.328	S	S	*	.	H	α-helix	trans	-65.5	-40.2	175.5	-65.2	-32	0	0	0	111.6	S231 N236 R237	S231-D233 PolarHBondContact O-N 3.47Å; D233-N236 PolarHBondContact O-N 3.01Å; D233-R237 WeakPolarHBondContact O-CB 3.31Å; D233-R237 PolarHBondContact O-N 2.93Å
234	V	98.4	Very high	98.2	Very high	10 Å²	10	64.6 Å²	64.6	6%	0.061	33%	0.334	C	S	.	.	H	α-helix	trans	-64.3	-43.7	174.3	172.8	0	0	0	0	110	N78 V230 S231 N236 R237 I238	N78-V234 WeakPolarHBondContact O-CG1 3.38Å; V230-V234 HydrophobicContact CB-CB 3.98Å; V230-V234 HydrophobicContact CB-CG1 3.79Å; V230-V234 HydrophobicContact CG1-CG1 4.3Å; V230-V234 HydrophobicContact CG2-CB 3.96Å; V230-V234 HydrophobicContact CG2-CG1 3.69Å; S231-V234 WeakPolarHBondContact O-CB 3.37Å; S231-V234 PolarHBondContact O-N 2.92Å; S231-V234 WeakPolarHBondContact OG-CG2 3.4Å; S231-V234 PolarHBondContact OG-N 3.1Å; V234-N236 PolarHBondContact O-N 3.26Å; V234-R237 PolarHBondContact O-N 2.83Å; V234-I238 HydrophobicContact CG1-CD1 3.81Å; V234-I238 HydrophobicContact CG1-CG1 4.36Å; V234-I238 VanDerWaalsContact O-CG1 3.24Å; V234-I238 WeakPolarHBondContact O-CG1 3.45Å; V234-I238 PolarHBondContact O-N 3.48Å
235	I	98.7	Very high	98.1	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-59.8	-47.9	176.5	-66	164.7	0	0	0	110.9	R216 V219 E220 M223 V230 S231 D232 R237 I238 V239	R216-I235 HydrophobicContact CG-CG2 3.85Å; V219-I235 HydrophobicContact CG1-CG2 4.17Å; E220-I235 HydrophobicContact CG-CD1 3.83Å; E220-I235 HydrophobicContact CG-CG2 4.23Å; M223-I235 HydrophobicContact SD-CD1 4.21Å; V230-I235 HydrophobicContact CG2-CD1 4.43Å; V230-I235 HydrophobicContact CG2-CG1 3.81Å; S231-I235 PolarHBondContact O-N 2.89Å; D232-I235 PolarHBondContact O-N 3.22Å; I235-R237 VanDerWaalsContact C-N 3.32Å; I235-R237 PolarHBondContact O-N 3.18Å; I235-I238 PolarHBondContact O-N 3.01Å; I235-V239 WeakPolarHBondContact O-CG2 3.38Å; I235-V239 PolarHBondContact O-N 3.22Å
236	N	98.4	Very high	98.1	Very high	82 Å²	82	65.1 Å²	65.1	44%	0.439	35%	0.347	S	S	.	.	H	α-helix	trans	-58.9	-44.7	178.3	-75.8	-30.6	0	0	0	111.6	R216 D232 D233 V234 I238 V239 E240	R216-N236 PolarHBondContact NH1-ND2 3.44Å; R216-N236 PolarHBondContact NH1-OD1 3.15Å; D232-N236 WeakPolarHBondContact O-CB 3.45Å; D232-N236 VanDerWaalsContact O-CG 3.3Å; D232-N236 PolarHBondContact O-N 2.91Å; D232-N236 PolarHBondContact O-ND2 3.2Å; D233-N236 PolarHBondContact O-N 3.01Å; V234-N236 PolarHBondContact O-N 3.26Å; N236-I238 PolarHBondContact O-N 3.14Å; N236-V239 PolarHBondContact O-N 3.31Å; N236-E240 PolarHBondContact O-N 3.35Å
237	R	98.5	Very high	98.1	Very high	106 Å²	106	64.5 Å²	64.5	40%	0.4	34%	0.344	S	S	.	.	H	α-helix	trans	-61.1	-42.7	175.8	-179.9	169.6	63.7	170.2	3	112	N78 G79 D233 V234 I235 E240 L241	N78-R237 PolarHBondContact O-NH2 3.2Å; G79-R237 VanDerWaalsContact C-NH2 3.32Å; G79-R237 PolarHBondContact O-NE 2.84Å; G79-R237 VanDerWaalsContact O-NE 3.08Å; G79-R237 PolarHBondContact O-NH2 3.11Å; D233-R237 WeakPolarHBondContact O-CB 3.31Å; D233-R237 PolarHBondContact O-N 2.93Å; V234-R237 PolarHBondContact O-N 2.83Å; I235-R237 VanDerWaalsContact C-N 3.32Å; I235-R237 PolarHBondContact O-N 3.18Å; R237-E240 PolarHBondContact O-N 3.03Å; R237-L241 HydrophobicContact CG-CD1 3.75Å; R237-L241 HydrophobicContact CG-CG 4.25Å; R237-L241 WeakPolarHBondContact O-CB 3.23Å; R237-L241 VanDerWaalsContact O-CG 3.26Å; R237-L241 WeakPolarHBondContact O-CG 3.43Å; R237-L241 PolarHBondContact O-N 3.37Å
238	I	98.8	Very high	98	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-43.8	177.4	-68.3	173.7	0	0	0	110.7	I71 L74 L75 V219 V234 I235 N236 E240 L241 T242	I71-I238 HydrophobicContact CG2-CG2 4.44Å; L74-I238 HydrophobicContact CB-CD1 4.19Å; L74-I238 HydrophobicContact CB-CG1 3.93Å; L74-I238 HydrophobicContact CB-CG2 4.37Å; L74-I238 HydrophobicContact CD1-CG2 4.43Å; L75-I238 HydrophobicContact CD2-CD1 3.58Å; L75-I238 HydrophobicContact CG-CD1 3.85Å; V219-I238 HydrophobicContact CG1-CB 4.45Å; V219-I238 HydrophobicContact CG1-CG2 3.98Å; V219-I238 HydrophobicContact CG2-CG2 4.23Å; V234-I238 HydrophobicContact CG1-CD1 3.81Å; V234-I238 HydrophobicContact CG1-CG1 4.36Å; V234-I238 VanDerWaalsContact O-CG1 3.24Å; V234-I238 WeakPolarHBondContact O-CG1 3.45Å; V234-I238 PolarHBondContact O-N 3.48Å; I235-I238 PolarHBondContact O-N 3.01Å; N236-I238 PolarHBondContact O-N 3.14Å; I238-E240 VanDerWaalsContact C-N 3.31Å; I238-E240 PolarHBondContact O-N 2.6Å; I238-L241 PolarHBondContact O-N 3.21Å; I238-T242 HydrophobicContact CG2-CG2 4.23Å; I238-T242 WeakPolarHBondContact O-CB 3.47Å; I238-T242 VanDerWaalsContact O-CG2 3.31Å; I238-T242 WeakPolarHBondContact O-CG2 3.32Å; I238-T242 PolarHBondContact O-N 3.1Å; I238-T242 PolarHBondContact O-OG1 3.08Å
239	V	98.8	Very high	98	Very high	35 Å²	35	66.4 Å²	66.4	21%	0.212	35%	0.346	C	S	.	.	H	α-helix	trans	-58.9	-42.7	176.3	168.9	0	0	0	0	111.4	P215 R216 V219 I235 N236 S243	P215-V239 HydrophobicContact CB-CG1 4.02Å; P215-V239 HydrophobicContact CB-CG2 4.41Å; R216-V239 HydrophobicContact CB-CG2 4.03Å; V219-V239 HydrophobicContact CB-CG2 4.47Å; V219-V239 HydrophobicContact CG2-CG2 4.07Å; I235-V239 WeakPolarHBondContact O-CG2 3.38Å; I235-V239 PolarHBondContact O-N 3.22Å; N236-V239 PolarHBondContact O-N 3.31Å; V239-S243 PolarHBondContact O-N 3.12Å; V239-S243 VanDerWaalsContact O-N 3.13Å
240	E	98.5	Very high	98	Very high	136 Å²	136	62.7 Å²	62.7	64%	0.636	32%	0.317	S	S	*	.	H	α-helix	trans	-66.6	-49.7	177.7	-175.2	-178.8	179.4	0	0	112.4	N236 R237 I238 T242 S243 S246	N236-E240 PolarHBondContact O-N 3.35Å; R237-E240 PolarHBondContact O-N 3.03Å; I238-E240 VanDerWaalsContact C-N 3.31Å; I238-E240 PolarHBondContact O-N 2.6Å; E240-T242 VanDerWaalsContact C-N 3.26Å; E240-T242 PolarHBondContact O-N 3.18Å; E240-S243 VanDerWaalsContact O-CB 3.31Å; E240-S243 WeakPolarHBondContact O-CB 3.5Å; E240-S243 PolarHBondContact O-N 3.26Å; E240-S243 VanDerWaalsContact O-N 3.15Å; E240-S243 PolarHBondContact O-OG 3.04Å; E240-S246 WeakPolarHBondContact O-CB 3.29Å; E240-S246 PolarHBondContact O-OG 3.25Å
241	L	98.4	Very high	98	Very high	58 Å²	58	64.7 Å²	64.7	30%	0.304	33%	0.33	S	S	.	.	H	α-helix	trans	-64.7	-30.8	-178.8	-71.3	174	0	0	0	112.6	L74 A81 R237 I238 S246	L74-L241 HydrophobicContact CD1-CB 3.91Å; L74-L241 HydrophobicContact CD1-CD1 4.25Å; L74-L241 HydrophobicContact CD2-CD1 3.9Å; A81-L241 HydrophobicContact CB-CD1 3.97Å; A81-L241 HydrophobicContact CB-CD2 4.48Å; R237-L241 HydrophobicContact CG-CD1 3.75Å; R237-L241 HydrophobicContact CG-CG 4.25Å; R237-L241 WeakPolarHBondContact O-CB 3.23Å; R237-L241 VanDerWaalsContact O-CG 3.26Å; R237-L241 WeakPolarHBondContact O-CG 3.43Å; R237-L241 PolarHBondContact O-N 3.37Å; I238-L241 PolarHBondContact O-N 3.21Å; L241-S246 VanDerWaalsContact O-CB 3.27Å; L241-S246 WeakPolarHBondContact O-CB 3.45Å
242	T	98.6	Very high	98	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.006	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	7.7	178.3	64.4	0	0	0	0	113.1	W67 E70 I71 L74 I238 E240	W67-T242 PolarHBondContact NE1-O 2.98Å; E70-T242 HydrophobicContact CB-CG2 4.08Å; I71-T242 HydrophobicContact CB-CG2 4.49Å; I71-T242 HydrophobicContact CG1-CG2 3.71Å; L74-T242 HydrophobicContact CD1-CG2 3.53Å; I238-T242 HydrophobicContact CG2-CG2 4.23Å; I238-T242 WeakPolarHBondContact O-CB 3.47Å; I238-T242 VanDerWaalsContact O-CG2 3.31Å; I238-T242 WeakPolarHBondContact O-CG2 3.32Å; I238-T242 PolarHBondContact O-N 3.1Å; I238-T242 PolarHBondContact O-OG1 3.08Å; E240-T242 VanDerWaalsContact C-N 3.26Å; E240-T242 PolarHBondContact O-N 3.18Å
243	S	98.4	Very high	97.9	Very high	40 Å²	40	59.1 Å²	59.1	28%	0.28	30%	0.295	S	S	.	.	S	Bend	trans	-61.6	149.4	169.7	78.7	0	0	0	0	110.3	V239 E240 K245 S246 M247	V239-S243 PolarHBondContact O-N 3.12Å; V239-S243 VanDerWaalsContact O-N 3.13Å; E240-S243 VanDerWaalsContact O-CB 3.31Å; E240-S243 WeakPolarHBondContact O-CB 3.5Å; E240-S243 PolarHBondContact O-N 3.26Å; E240-S243 VanDerWaalsContact O-N 3.15Å; E240-S243 PolarHBondContact O-OG 3.04Å; S243-K245 PolarHBondContact O-N 3.32Å; S243-S246 PolarHBondContact O-N 2.91Å; S243-S246 VanDerWaalsContact O-N 3.1Å; S243-S246 WeakPolarHBondContact OG-CB 3.5Å; S243-S246 PolarHBondContact OG-N 3.48Å; S243-S246 PolarHBondContact OG-OG 3.42Å; S243-M247 PolarHBondContact O-N 3.31Å
244	F	97.3	Very high	97.8	Very high	56 Å²	56	54.3 Å²	54.3	25%	0.246	27%	0.269	C	S	.	.	H	α-helix	trans	-55.9	-39.3	-179.9	179.3	-99.5	0	0	0	112.2	K248 M271 K273	F244-K248 HydrophobicContact CE1-CD 4.08Å; F244-K248 HydrophobicContact CZ-CD 4.36Å; F244-K248 VanDerWaalsContact O-CB 3.23Å; F244-K248 WeakPolarHBondContact O-CB 3.4Å; F244-K248 PolarHBondContact O-N 2.9Å; F244-M271 HydrophobicContact CE2-CB 4.01Å; F244-M271 HydrophobicContact CE2-SD 4.27Å; F244-M271 HydrophobicContact CZ-CB 4.12Å; F244-M271 WeakPolarHBondContact CZ-O 3.34Å; F244-K273 VanDerWaalsContact CE1-O 3.31Å; F244-K273 WeakPolarHBondContact CE1-O 3.39Å; F244-K273 VanDerWaalsContact CZ-C 3.44Å; F244-K273 WeakPolarHBondContact CZ-O 3.4Å
245	K	97.7	Very high	97.7	Very high	168 Å²	168	54.7 Å²	54.7	73%	0.73	27%	0.27	S	S	*	.	H	α-helix	trans	-60	-51.1	176.3	-178.6	-177.7	175.5	-173	0	111.1	S243 K248	S243-K245 PolarHBondContact O-N 3.32Å; K245-K248 PolarHBondContact O-N 2.95Å
246	S	97.9	Very high	97.4	Very high	42 Å²	42	57.4 Å²	57.4	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-45.5	179.5	-59.5	0	0	0	0	111.9	E240 L241 S243 K248 E249 N250	E240-S246 WeakPolarHBondContact O-CB 3.29Å; E240-S246 PolarHBondContact O-OG 3.25Å; L241-S246 VanDerWaalsContact O-CB 3.27Å; L241-S246 WeakPolarHBondContact O-CB 3.45Å; S243-S246 PolarHBondContact O-N 2.91Å; S243-S246 VanDerWaalsContact O-N 3.1Å; S243-S246 WeakPolarHBondContact OG-CB 3.5Å; S243-S246 PolarHBondContact OG-N 3.48Å; S243-S246 PolarHBondContact OG-OG 3.42Å; S246-K248 VanDerWaalsContact C-N 3.33Å; S246-K248 PolarHBondContact O-N 3.22Å; S246-E249 PolarHBondContact O-N 3.4Å; S246-N250 PolarHBondContact O-N 3.42Å; S246-N250 VanDerWaalsContact O-N 3.15Å
247	M	98.1	Very high	97.2	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.03	28%	0.275	C	S	.	.	H	α-helix	trans	-68.5	-30.4	-179.1	-70.2	-170.7	61.6	0	0	113.3	T66 W67 E70 S243 E249 N250 A253 M271	T66-M247 HydrophobicContact CG2-CE 4.03Å; W67-M247 HydrophobicContact CB-SD 4.48Å; W67-M247 VanDerWaalsContact CD1-SD 3.59Å; W67-M247 HydrophobicContact CG-SD 4.29Å; E70-M247 HydrophobicContact CB-CE 3.93Å; E70-M247 HydrophobicContact CB-SD 4.25Å; E70-M247 HydrophobicContact CG-CE 3.32Å; E70-M247 HydrophobicContact CG-SD 4.22Å; S243-M247 PolarHBondContact O-N 3.31Å; M247-E249 VanDerWaalsContact C-N 3.29Å; M247-E249 PolarHBondContact O-N 2.79Å; M247-N250 PolarHBondContact O-N 3.16Å; M247-A253 HydrophobicContact CE-CB 3.96Å; M247-M271 HydrophobicContact CB-CE 4.1Å; M247-M271 HydrophobicContact CE-CE 3.9Å
248	K	97.3	Very high	97	Very high	83 Å²	83	50 Å²	50	36%	0.361	26%	0.259	S	S	.	.	H	α-helix	trans	-62.4	-38.1	175.5	-175	170.7	-177.2	177.8	0	112.1	F244 K245 S246 N254 M271	F244-K248 HydrophobicContact CE1-CD 4.08Å; F244-K248 HydrophobicContact CZ-CD 4.36Å; F244-K248 VanDerWaalsContact O-CB 3.23Å; F244-K248 WeakPolarHBondContact O-CB 3.4Å; F244-K248 PolarHBondContact O-N 2.9Å; K245-K248 PolarHBondContact O-N 2.95Å; S246-K248 VanDerWaalsContact C-N 3.33Å; S246-K248 PolarHBondContact O-N 3.22Å; K248-N254 WeakPolarHBondContact O-CB 3.45Å; K248-N254 PolarHBondContact O-ND2 2.87Å; K248-M271 HydrophobicContact CB-CB 4.07Å; K248-M271 HydrophobicContact CB-CG 4.47Å; K248-M271 HydrophobicContact CD-CB 4.46Å; K248-M271 HydrophobicContact CG-CB 3.9Å
249	E	96.9	Very high	96.8	Very high	143 Å²	143	50.6 Å²	50.6	67%	0.668	26%	0.263	S	S	*	.	H	α-helix	trans	-86.8	-9.8	178.3	-55.4	-51	139.3	0	0	113.3	S246 M247 P251	S246-E249 PolarHBondContact O-N 3.4Å; M247-E249 VanDerWaalsContact C-N 3.29Å; M247-E249 PolarHBondContact O-N 2.79Å; E249-P251 VanDerWaalsContact O-CD 3.24Å; E249-P251 WeakPolarHBondContact O-CD 3.5Å
250	N	97.4	Very high	96.6	Very high	40 Å²	40	52.8 Å²	52.8	21%	0.214	28%	0.279	C	S	.	.			trans	-82.2	109.7	-179.8	-178.5	2.4	0	0	0	111.5	S246 M247 M252 A253 N254	S246-N250 PolarHBondContact O-N 3.42Å; S246-N250 VanDerWaalsContact O-N 3.15Å; M247-N250 PolarHBondContact O-N 3.16Å; N250-M252 PolarHBondContact O-N 3.08Å; N250-M252 VanDerWaalsContact O-N 3.12Å; N250-M252 WeakPolarHBondContact OD1-CB 3.4Å; N250-M252 PolarHBondContact OD1-N 2.76Å; N250-A253 HydrophobicContact CB-CB 4.32Å; N250-A253 PolarHBondContact O-N 3.31Å; N250-N254 WeakPolarHBondContact O-CB 3.38Å; N250-N254 PolarHBondContact O-N 3.47Å; N250-N254 PolarHBondContact O-ND2 3.3Å; N250-N254 PolarHBondContact O-OD1 3.19Å
251	P	96.2	Very high	96.4	Very high	66 Å²	66	48.2 Å²	48.2	43%	0.429	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.6	-179.3	28.4	-36.1	0	0	0	113.3	E249 A253 N254	E249-P251 VanDerWaalsContact O-CD 3.24Å; E249-P251 WeakPolarHBondContact O-CD 3.5Å; P251-A253 VanDerWaalsContact C-N 3.3Å; P251-N254 WeakPolarHBondContact CA-OD1 3.42Å
252	M	96.9	Very high	96.3	Very high	41 Å²	41	46.2 Å²	46.2	20%	0.202	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-18.2	177.6	-60.2	-61.7	109.4	0	0	112.5	K85 A87 P88 T89 N250	K85-M252 HydrophobicContact CB-CG 4.42Å; K85-M252 HydrophobicContact CG-CG 4.3Å; A87-M252 VanDerWaalsContact C-SD 3.5Å; P88-M252 CarbonylContact C-O 3.53Å; P88-M252 WeakPolarHBondContact CA-O 3.44Å; P88-M252 HydrophobicContact CB-SD 4.45Å; P88-M252 HydrophobicContact CG-CE 4.3Å; P88-M252 HydrophobicContact CG-SD 3.97Å; T89-M252 PolarHBondContact N-O 2.92Å; T89-M252 PolarHBondContact OG1-O 2.8Å; N250-M252 PolarHBondContact O-N 3.08Å; N250-M252 VanDerWaalsContact O-N 3.12Å; N250-M252 WeakPolarHBondContact OD1-CB 3.4Å; N250-M252 PolarHBondContact OD1-N 2.76Å
253	A	96.1	Very high	96.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-24.9	-176.1	0	0	0	0	0	114.4	T66 E70 T89 M247 N250 P251 Y255 M271	T66-A253 HydrophobicContact CG2-CB 4.47Å; T66-A253 WeakPolarHBondContact CG2-O 3.41Å; E70-A253 HydrophobicContact CG-CB 3.75Å; T89-A253 WeakPolarHBondContact OG1-CA 3.44Å; M247-A253 HydrophobicContact CE-CB 3.96Å; N250-A253 HydrophobicContact CB-CB 4.32Å; N250-A253 PolarHBondContact O-N 3.31Å; P251-A253 VanDerWaalsContact C-N 3.3Å; A253-Y255 WeakPolarHBondContact O-CD2 3.45Å; A253-Y255 PolarHBondContact O-N 3.03Å; A253-M271 VanDerWaalsContact O-CE 3.29Å; A253-M271 WeakPolarHBondContact O-CE 3.26Å
254	N	96.1	Very high	96.1	Very high	24 Å²	24	47 Å²	47	13%	0.128	25%	0.252	C	S	.	.	S	Bend	trans	-81	5.3	-175.7	71.3	9.4	0	0	0	114.9	K248 N250 P251 S256 Q265 M271	K248-N254 WeakPolarHBondContact O-CB 3.45Å; K248-N254 PolarHBondContact O-ND2 2.87Å; N250-N254 WeakPolarHBondContact O-CB 3.38Å; N250-N254 PolarHBondContact O-N 3.47Å; N250-N254 PolarHBondContact O-ND2 3.3Å; N250-N254 PolarHBondContact O-OD1 3.19Å; P251-N254 WeakPolarHBondContact CA-OD1 3.42Å; N254-S256 PolarHBondContact O-N 2.92Å; N254-S256 WeakPolarHBondContact OD1-CB 3.49Å; N254-S256 PolarHBondContact OD1-N 2.76Å; N254-S256 PolarHBondContact OD1-OG 3.14Å; N254-Q265 PolarHBondContact O-NE2 2.7Å; N254-M271 HydrophobicContact CB-CG 3.98Å
255	Y	96.2	Very high	96	Very high	18 Å²	18	47 Å²	47	7%	0.071	25%	0.253	C	S	.	.	S	Bend	trans	61.2	18.4	-178.4	-75.2	-103.5	0	0	0	115.5	T66 P90 A253 C257 I258 F263 Q265 F270	T66-Y255 HydrophobicContact CG2-CE2 3.88Å; T66-Y255 WeakPolarHBondContact OG1-CE2 3.29Å; P90-Y255 HydrophobicContact CG-CD1 4.21Å; P90-Y255 HydrophobicContact CG-CE1 3.63Å; A253-Y255 WeakPolarHBondContact O-CD2 3.45Å; A253-Y255 PolarHBondContact O-N 3.03Å; Y255-C257 PolarHBondContact O-N 3.35Å; Y255-I258 HydrophobicContact CD1-CG1 3.65Å; Y255-I258 HydrophobicContact CG-CG1 4.45Å; Y255-I258 WeakPolarHBondContact O-CB 3.43Å; Y255-I258 PolarHBondContact O-N 2.81Å; Y255-F263 HydrophobicContact CD1-CD2 4.2Å; Y255-F263 AromaticContact CD1-CE2 3.47Å; Y255-F263 HydrophobicContact CD1-CE2 3.47Å; Y255-F263 VanDerWaalsContact CD1-CE2 3.47Å; Y255-F263 HydrophobicContact CD1-CZ 4.31Å; Y255-F263 HydrophobicContact CE1-CE2 4.16Å; Y255-F263 HydrophobicContact CG-CD2 4.46Å; Y255-F263 AromaticContact CG-CE2 3.96Å; Y255-F263 HydrophobicContact CG-CE2 3.96Å; Y255-Q265 VanDerWaalsContact C-NE2 3.3Å; Y255-Q265 PolarHBondContact O-NE2 2.96Å; Y255-Q265 VanDerWaalsContact O-NE2 3.12Å; Y255-F270 AromaticContact CD2-CD1 3.56Å; Y255-F270 HydrophobicContact CD2-CD1 3.56Å; Y255-F270 HydrophobicContact CD2-CD2 4.08Å; Y255-F270 AromaticContact CD2-CE1 3.31Å; Y255-F270 HydrophobicContact CD2-CE1 3.31Å; Y255-F270 AromaticContact CD2-CE2 3.85Å; Y255-F270 HydrophobicContact CD2-CE2 3.85Å; Y255-F270 AromaticContact CD2-CG 3.95Å; Y255-F270 HydrophobicContact CD2-CG 3.95Å; Y255-F270 AromaticContact CD2-CZ 3.47Å; Y255-F270 HydrophobicContact CD2-CZ 3.47Å; Y255-F270 VanDerWaalsContact CD2-CZ 3.47Å; Y255-F270 HydrophobicContact CE2-CD1 4.25Å; Y255-F270 AromaticContact CE2-CE1 3.52Å; Y255-F270 HydrophobicContact CE2-CE1 3.52Å; Y255-F270 AromaticContact CE2-CE2 3.94Å; Y255-F270 HydrophobicContact CE2-CE2 3.94Å; Y255-F270 AromaticContact CE2-CZ 3.34Å; Y255-F270 HydrophobicContact CE2-CZ 3.34Å; Y255-F270 HydrophobicContact CG-CD1 4.23Å; Y255-F270 HydrophobicContact CG-CD2 4.13Å; Y255-F270 HydrophobicContact CG-CE1 4.28Å; Y255-F270 HydrophobicContact CG-CE2 4.17Å; Y255-F270 HydrophobicContact CG-CG 4.16Å; Y255-F270 HydrophobicContact CG-CZ 4.25Å
256	S	94	Very high	95.9	Very high	60 Å²	60	44 Å²	44	42%	0.42	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.7	170.3	58.3	0	0	0	0	113.6	N254 I258	N254-S256 PolarHBondContact O-N 2.92Å; N254-S256 WeakPolarHBondContact OD1-CB 3.49Å; N254-S256 PolarHBondContact OD1-N 2.76Å; N254-S256 PolarHBondContact OD1-OG 3.14Å; S256-I258 PolarHBondContact O-N 2.98Å
257	C	93.3	Very high	95.9	Very high	21 Å²	21	45.7 Å²	45.7	14%	0.142	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.7	170.4	65.2	0	0	0	0	114	P88 Y255 P259	P88-C257 HydrophobicContact CB-CB 4.13Å; P88-C257 VanDerWaalsContact CB-SG 3.54Å; P88-C257 HydrophobicContact CG-CB 3.9Å; Y255-C257 PolarHBondContact O-N 3.35Å; C257-P259 WeakPolarHBondContact O-CD 3.47Å
258	I	95.1	Very high	95.9	Very high	12 Å²	12	45.8 Å²	45.8	6%	0.062	26%	0.259	C	S	.	.	S	Bend	trans	-90.2	116.2	177.6	-54.8	-50.6	0	0	0	109.3	Y10 I14 P90 Y255 S256 V262 F263	Y10-I258 HydrophobicContact CD1-CD1 3.94Å; Y10-I258 HydrophobicContact CE1-CD1 3.56Å; I14-I258 HydrophobicContact CD1-CD1 3.86Å; I14-I258 HydrophobicContact CD1-CG2 4.35Å; P90-I258 HydrophobicContact CG-CD1 4.49Å; Y255-I258 HydrophobicContact CD1-CG1 3.65Å; Y255-I258 HydrophobicContact CG-CG1 4.45Å; Y255-I258 WeakPolarHBondContact O-CB 3.43Å; Y255-I258 PolarHBondContact O-N 2.81Å; S256-I258 PolarHBondContact O-N 2.98Å; I258-V262 HydrophobicContact CG2-CB 3.65Å; I258-V262 HydrophobicContact CG2-CG1 3.58Å; I258-F263 HydrophobicContact CB-CB 4.17Å; I258-F263 HydrophobicContact CB-CD2 3.89Å; I258-F263 HydrophobicContact CB-CE2 4.5Å; I258-F263 HydrophobicContact CB-CG 4.12Å; I258-F263 HydrophobicContact CG1-CD2 4.15Å; I258-F263 HydrophobicContact CG1-CE2 4.29Å; I258-F263 HydrophobicContact CG2-CB 3.75Å; I258-F263 HydrophobicContact CG2-CD1 4.09Å; I258-F263 HydrophobicContact CG2-CD2 3.87Å; I258-F263 HydrophobicContact CG2-CE2 4.46Å; I258-F263 HydrophobicContact CG2-CG 3.64Å
259	P	94.4	Very high	95.8	Very high	13 Å²	13	44.6 Å²	44.6	8%	0.084	26%	0.26	C	S	.	.			trans	-61.2	158.8	178.6	-26.9	36.6	0	0	0	114.7	K11 I14 E15 C257 V262 F263	K11-P259 HydrophobicContact CG-CG 3.8Å; I14-P259 HydrophobicContact CB-CG 3.97Å; I14-P259 HydrophobicContact CG2-CB 4.05Å; I14-P259 HydrophobicContact CG2-CG 3.77Å; E15-P259 HydrophobicContact CG-CB 4.11Å; E15-P259 HydrophobicContact CG-CG 3.7Å; C257-P259 WeakPolarHBondContact O-CD 3.47Å; P259-V262 PolarHBondContact O-N 2.97Å; P259-F263 PolarHBondContact O-N 3.19Å
260	S	94.6	Very high	95.9	Very high	80 Å²	80	39.3 Å²	39.3	56%	0.559	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.6	-179	60.3	0	0	0	0	116.4	V262 F263	S260-V262 PolarHBondContact O-N 3.25Å; S260-V262 VanDerWaalsContact O-N 3.14Å; S260-F263 WeakPolarHBondContact CA-O 3.24Å
261	P	93.5	Very high	95.8	Very high	41 Å²	41	38.3 Å²	38.3	27%	0.266	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.4	171.1	-28.5	36.9	0	0	0	113.4	I21 K162	I21-P261 WeakPolarHBondContact CG2-O 3.43Å; K162-P261 WeakPolarHBondContact CB-O 3.35Å
262	V	96.3	Very high	95.9	Very high	15 Å²	15	37.1 Å²	37.1	9%	0.091	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-57.1	175.4	176.3	0	0	0	0	110.2	I14 I21 N161 K162 T163 I258 P259 S260	I14-V262 HydrophobicContact CG2-CB 4.35Å; I14-V262 HydrophobicContact CG2-CG2 3.48Å; I14-V262 VanDerWaalsContact CG2-CG2 3.48Å; I21-V262 HydrophobicContact CD1-CG2 3.89Å; I21-V262 HydrophobicContact CG1-CG2 3.87Å; I21-V262 HydrophobicContact CG2-CG2 4.03Å; N161-V262 CarbonylContact C-O 3.45Å; N161-V262 WeakPolarHBondContact CA-O 3.44Å; N161-V262 PolarHBondContact OD1-O 3.1Å; K162-V262 PolarHBondContact N-O 2.77Å; T163-V262 HydrophobicContact CG2-CG1 3.97Å; T163-V262 HydrophobicContact CG2-CG2 4.45Å; I258-V262 HydrophobicContact CG2-CB 3.65Å; I258-V262 HydrophobicContact CG2-CG1 3.58Å; P259-V262 PolarHBondContact O-N 2.97Å; S260-V262 PolarHBondContact O-N 3.25Å; S260-V262 VanDerWaalsContact O-N 3.14Å
263	F	96.9	Very high	95.9	Very high	19 Å²	19	38.8 Å²	38.8	8%	0.083	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-118.1	97.6	-176.8	-80	11.2	0	0	0	111.2	F157 M160 N161 Y255 I258 P259 S260 Q265 F270	F157-F263 AromaticContact CE2-CE1 3.96Å; F157-F263 HydrophobicContact CE2-CE1 3.96Å; F157-F263 HydrophobicContact CE2-CE2 4.07Å; F157-F263 AromaticContact CE2-CZ 3.61Å; F157-F263 HydrophobicContact CE2-CZ 3.61Å; F157-F263 AromaticContact CZ-CE1 3.98Å; F157-F263 HydrophobicContact CZ-CE1 3.98Å; F157-F263 AromaticContact CZ-CZ 3.72Å; F157-F263 HydrophobicContact CZ-CZ 3.72Å; M160-F263 HydrophobicContact CE-CB 3.52Å; M160-F263 HydrophobicContact CE-CD1 4.38Å; M160-F263 HydrophobicContact CE-CD2 3.91Å; M160-F263 HydrophobicContact CE-CG 3.68Å; M160-F263 HydrophobicContact SD-CB 4.24Å; M160-F263 HydrophobicContact SD-CD1 4.04Å; M160-F263 HydrophobicContact SD-CD2 4.3Å; M160-F263 HydrophobicContact SD-CG 3.92Å; N161-F263 HydrophobicContact CB-CD1 4.02Å; N161-F263 HydrophobicContact CB-CE1 3.97Å; N161-F263 VanDerWaalsContact CG-CE1 3.41Å; N161-F263 WeakPolarHBondContact ND2-CE1 3.48Å; Y255-F263 HydrophobicContact CD1-CD2 4.2Å; Y255-F263 AromaticContact CD1-CE2 3.47Å; Y255-F263 HydrophobicContact CD1-CE2 3.47Å; Y255-F263 VanDerWaalsContact CD1-CE2 3.47Å; Y255-F263 HydrophobicContact CD1-CZ 4.31Å; Y255-F263 HydrophobicContact CE1-CE2 4.16Å; Y255-F263 HydrophobicContact CG-CD2 4.46Å; Y255-F263 AromaticContact CG-CE2 3.96Å; Y255-F263 HydrophobicContact CG-CE2 3.96Å; I258-F263 HydrophobicContact CB-CB 4.17Å; I258-F263 HydrophobicContact CB-CD2 3.89Å; I258-F263 HydrophobicContact CB-CE2 4.5Å; I258-F263 HydrophobicContact CB-CG 4.12Å; I258-F263 HydrophobicContact CG1-CD2 4.15Å; I258-F263 HydrophobicContact CG1-CE2 4.29Å; I258-F263 HydrophobicContact CG2-CB 3.75Å; I258-F263 HydrophobicContact CG2-CD1 4.09Å; I258-F263 HydrophobicContact CG2-CD2 3.87Å; I258-F263 HydrophobicContact CG2-CE2 4.46Å; I258-F263 HydrophobicContact CG2-CG 3.64Å; P259-F263 PolarHBondContact O-N 3.19Å; S260-F263 WeakPolarHBondContact CA-O 3.24Å; F263-Q265 VanDerWaalsContact C-N 3.34Å; F263-Q265 HydrophobicContact CB-CG 4.43Å; F263-Q265 PolarHBondContact O-N 3.05Å; F263-F270 HydrophobicContact CD2-CD2 4.5Å; F263-F270 AromaticContact CE2-CD2 3.95Å; F263-F270 HydrophobicContact CE2-CD2 3.95Å; F263-F270 HydrophobicContact CE2-CE2 4.3Å
264	D	96.6	Very high	95.8	Very high	40 Å²	40	39.4 Å²	39.4	21%	0.214	23%	0.228	C	C	.	.			trans	-81.3	81.7	173	-171.5	-8.1	0	0	0	110.8	M160 S266 I267	M160-D264 VanDerWaalsContact CB-O 3.28Å; M160-D264 WeakPolarHBondContact CB-O 3.34Å; M160-D264 PolarHBondContact O-N 3.16Å; D264-S266 PolarHBondContact O-N 2.94Å; D264-S266 VanDerWaalsContact O-N 3.08Å; D264-S266 WeakPolarHBondContact OD1-CB 3.36Å; D264-S266 PolarHBondContact OD1-N 3.3Å; D264-S266 PolarHBondContact OD1-OG 3.42Å; D264-I267 HydrophobicContact CB-CD1 3.98Å; D264-I267 HydrophobicContact CB-CG1 4.3Å; D264-I267 PolarHBondContact O-N 2.95Å; D264-I267 VanDerWaalsContact O-N 3.1Å; D264-I267 WeakPolarHBondContact OD2-CD1 3.39Å
265	Q	94.7	Very high	95.8	Very high	55 Å²	55	43 Å²	43	26%	0.257	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-11	-177.8	-57.6	-146.8	47	0	0	113.9	M160 N254 Y255 F263 I267 S268 F270	M160-Q265 HydrophobicContact CE-CB 4.44Å; M160-Q265 HydrophobicContact CE-CG 3.67Å; N254-Q265 PolarHBondContact O-NE2 2.7Å; Y255-Q265 VanDerWaalsContact C-NE2 3.3Å; Y255-Q265 PolarHBondContact O-NE2 2.96Å; Y255-Q265 VanDerWaalsContact O-NE2 3.12Å; F263-Q265 VanDerWaalsContact C-N 3.34Å; F263-Q265 HydrophobicContact CB-CG 4.43Å; F263-Q265 PolarHBondContact O-N 3.05Å; Q265-I267 VanDerWaalsContact C-N 3.31Å; Q265-S268 WeakPolarHBondContact CA-O 3.46Å; Q265-S268 CarbonylContact O-C 3.37Å; Q265-F270 VanDerWaalsContact OE1-N 3.14Å
266	S	96.3	Very high	95.9	Very high	106 Å²	106	43.1 Å²	43.1	74%	0.741	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-27.4	173.8	78.1	0	0	0	0	112.5	D264	D264-S266 PolarHBondContact O-N 2.94Å; D264-S266 VanDerWaalsContact O-N 3.08Å; D264-S266 WeakPolarHBondContact OD1-CB 3.36Å; D264-S266 PolarHBondContact OD1-N 3.3Å; D264-S266 PolarHBondContact OD1-OG 3.42Å
267	I	97.1	Very high	96.1	Very high	77 Å²	77	40.8 Å²	40.8	40%	0.395	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-48.6	175	-62.9	174.8	0	0	0	110.4	L159 M160 D264 Q265	L159-I267 HydrophobicContact CB-CG2 3.84Å; M160-I267 HydrophobicContact CB-CB 4.41Å; D264-I267 HydrophobicContact CB-CD1 3.98Å; D264-I267 HydrophobicContact CB-CG1 4.3Å; D264-I267 PolarHBondContact O-N 2.95Å; D264-I267 VanDerWaalsContact O-N 3.1Å; D264-I267 WeakPolarHBondContact OD2-CD1 3.39Å; Q265-I267 VanDerWaalsContact C-N 3.31Å
268	S	97.3	Very high	96.3	Very high	8 Å²	8	40 Å²	40	6%	0.056	23%	0.226	C	C	.	.	S	Bend	trans	-154.5	126.7	173.8	-158	0	0	0	0	109.6	Y156 M160 Q265	Y156-S268 WeakPolarHBondContact O-CB 3.27Å; M160-S268 VanDerWaalsContact CB-O 3.31Å; M160-S268 WeakPolarHBondContact CB-O 3.3Å; M160-S268 WeakPolarHBondContact CG-O 3.49Å; Q265-S268 WeakPolarHBondContact CA-O 3.46Å; Q265-S268 CarbonylContact O-C 3.37Å
269	P	96.8	Very high	96.5	Very high	57 Å²	57	40.4 Å²	40.4	37%	0.37	23%	0.227	S	C	.	.			trans	-68.2	144.9	177.6	26.5	-32.5	0	0	0	110.7	M271 R272	P269-M271 VanDerWaalsContact C-N 3.32Å; P269-M271 PolarHBondContact O-N 3.15Å; P269-R272 PolarHBondContact O-N 3.43Å
270	F	97.3	Very high	96.7	Very high	32 Å²	32	45.1 Å²	45.1	14%	0.14	25%	0.246	C	C	.	.	S	Bend	trans	-59.8	-45.7	177.3	-179.3	-90.2	0	0	0	111.3	T66 F157 Y255 F263 Q265 R272	T66-F270 HydrophobicContact CG2-CE1 4.26Å; T66-F270 WeakPolarHBondContact OG1-CZ 3.49Å; F157-F270 HydrophobicContact CD2-CD2 4.28Å; F157-F270 HydrophobicContact CD2-CE2 4.47Å; F157-F270 AromaticContact CE2-CD2 3.95Å; F157-F270 HydrophobicContact CE2-CD2 3.95Å; F157-F270 AromaticContact CE2-CE2 3.96Å; F157-F270 HydrophobicContact CE2-CE2 3.96Å; Y255-F270 AromaticContact CD2-CD1 3.56Å; Y255-F270 HydrophobicContact CD2-CD1 3.56Å; Y255-F270 HydrophobicContact CD2-CD2 4.08Å; Y255-F270 AromaticContact CD2-CE1 3.31Å; Y255-F270 HydrophobicContact CD2-CE1 3.31Å; Y255-F270 AromaticContact CD2-CE2 3.85Å; Y255-F270 HydrophobicContact CD2-CE2 3.85Å; Y255-F270 AromaticContact CD2-CG 3.95Å; Y255-F270 HydrophobicContact CD2-CG 3.95Å; Y255-F270 AromaticContact CD2-CZ 3.47Å; Y255-F270 HydrophobicContact CD2-CZ 3.47Å; Y255-F270 VanDerWaalsContact CD2-CZ 3.47Å; Y255-F270 HydrophobicContact CE2-CD1 4.25Å; Y255-F270 AromaticContact CE2-CE1 3.52Å; Y255-F270 HydrophobicContact CE2-CE1 3.52Å; Y255-F270 AromaticContact CE2-CE2 3.94Å; Y255-F270 HydrophobicContact CE2-CE2 3.94Å; Y255-F270 AromaticContact CE2-CZ 3.34Å; Y255-F270 HydrophobicContact CE2-CZ 3.34Å; Y255-F270 HydrophobicContact CG-CD1 4.23Å; Y255-F270 HydrophobicContact CG-CD2 4.13Å; Y255-F270 HydrophobicContact CG-CE1 4.28Å; Y255-F270 HydrophobicContact CG-CE2 4.17Å; Y255-F270 HydrophobicContact CG-CG 4.16Å; Y255-F270 HydrophobicContact CG-CZ 4.25Å; F263-F270 HydrophobicContact CD2-CD2 4.5Å; F263-F270 AromaticContact CE2-CD2 3.95Å; F263-F270 HydrophobicContact CE2-CD2 3.95Å; F263-F270 HydrophobicContact CE2-CE2 4.3Å; Q265-F270 VanDerWaalsContact OE1-N 3.14Å; F270-R272 VanDerWaalsContact C-N 3.33Å; F270-R272 PolarHBondContact O-N 2.64Å; F270-R272 VanDerWaalsContact O-N 3.12Å
271	M	97.1	Very high	96.8	Very high	20 Å²	20	46.9 Å²	46.9	10%	0.099	25%	0.25	C	C	.	.	S	Bend	trans	-83.4	76.3	170.7	-64.9	-65.7	-175.7	0	0	109.7	T66 F244 M247 K248 A253 N254 P269	T66-M271 HydrophobicContact CG2-CE 4.01Å; F244-M271 HydrophobicContact CE2-CB 4.01Å; F244-M271 HydrophobicContact CE2-SD 4.27Å; F244-M271 HydrophobicContact CZ-CB 4.12Å; F244-M271 WeakPolarHBondContact CZ-O 3.34Å; M247-M271 HydrophobicContact CB-CE 4.1Å; M247-M271 HydrophobicContact CE-CE 3.9Å; K248-M271 HydrophobicContact CB-CB 4.07Å; K248-M271 HydrophobicContact CB-CG 4.47Å; K248-M271 HydrophobicContact CD-CB 4.46Å; K248-M271 HydrophobicContact CG-CB 3.9Å; A253-M271 VanDerWaalsContact O-CE 3.29Å; A253-M271 WeakPolarHBondContact O-CE 3.26Å; N254-M271 HydrophobicContact CB-CG 3.98Å; P269-M271 VanDerWaalsContact C-N 3.32Å; P269-M271 PolarHBondContact O-N 3.15Å
272	R	97.2	Very high	97.1	Very high	40 Å²	40	46.9 Å²	46.9	15%	0.151	25%	0.246	C	C	.	.			trans	-72.5	-73	-170.4	-165.4	-175	65.7	86.5	3.2	114.5	P269 F270 D278	P269-R272 PolarHBondContact O-N 3.43Å; F270-R272 VanDerWaalsContact C-N 3.33Å; F270-R272 PolarHBondContact O-N 2.64Å; F270-R272 VanDerWaalsContact O-N 3.12Å; R272-D278 IonicContact CZ-OD2 2.67Å; R272-D278 VanDerWaalsContact CZ-OD2 3.24Å; R272-D278 IonicContact NH1-OD2 3.42Å; R272-D278 PolarHBondContact NH1-OD2 3.27Å; R272-D278 IonicContact NH2-OD2 3.47Å; R272-D278 PolarHBondContact NH2-OD2 3.47Å
273	K	96.4	Very high	97.1	Very high	77 Å²	77	47 Å²	47	34%	0.335	25%	0.245	S	C	.	.			trans	-129.6	-41.4	-179	-68.3	-162	-175.9	-175.8	0	114.2	F244 D278	F244-K273 VanDerWaalsContact CE1-O 3.31Å; F244-K273 WeakPolarHBondContact CE1-O 3.39Å; F244-K273 VanDerWaalsContact CZ-C 3.44Å; F244-K273 WeakPolarHBondContact CZ-O 3.4Å; K273-D278 HydrophobicContact CD-CB 4.42Å; K273-D278 WeakPolarHBondContact CD-OD1 3.44Å; K273-D278 WeakPolarHBondContact CD-OD2 3.35Å; K273-D278 WeakPolarHBondContact CE-OD1 3.46Å; K273-D278 IonicContact NZ-OD1 3.64Å; K273-D278 PolarHBondContact NZ-OD1 3.4Å; K273-D278 IonicContact NZ-OD2 3.61Å
274	G	94.9	Very high	97.2	Very high	12 Å²	12	48.9 Å²	48.9	12%	0.124	26%	0.259	C	S	.	.			trans	67.1	35.8	177.7	0	0	0	0	0	114.1	Y208 K212	Y208-G274 VanDerWaalsContact OH-C 3.27Å; Y208-G274 WeakPolarHBondContact OH-CA 3.08Å; Y208-G274 PolarHBondContact OH-O 3.12Å; K212-G274 WeakPolarHBondContact CD-O 3.27Å; K212-G274 VanDerWaalsContact CE-O 3.24Å; K212-G274 WeakPolarHBondContact CE-O 3.36Å; K212-G274 PolarHBondContact NZ-O 2.8Å
275	E	96.2	Very high	97.3	Very high	100 Å²	100	51.7 Å²	51.7	47%	0.467	28%	0.279	S	S	.	.			trans	-122.7	161.5	-174.8	-69.6	170.2	172.3	0	0	111.3	R145	R145-E275 PolarHBondContact NH2-O 3.41Å
276	V	98.1	Very high	97.5	Very high	21 Å²	21	55.3 Å²	55.3	13%	0.127	30%	0.296	C	S	.	.	S	Bend	trans	-104.3	135.4	169.6	-178.5	0	0	0	0	108	D149 Y208 E209 K212 I310	D149-V276 WeakPolarHBondContact OD2-CA 3.46Å; Y208-V276 HydrophobicContact CD1-CG2 4.05Å; Y208-V276 HydrophobicContact CE1-CG2 4.02Å; E209-V276 HydrophobicContact CB-CG2 4.36Å; E209-V276 HydrophobicContact CG-CG1 3.77Å; E209-V276 HydrophobicContact CG-CG2 3.91Å; K212-V276 HydrophobicContact CB-CG2 3.98Å; K212-V276 HydrophobicContact CG-CG2 3.96Å; V276-I310 HydrophobicContact CB-CD1 3.99Å; V276-I310 HydrophobicContact CB-CG1 3.99Å; V276-I310 HydrophobicContact CB-CG2 4.41Å; V276-I310 HydrophobicContact CG1-CG2 4.21Å; V276-I310 HydrophobicContact CG2-CD1 3.79Å; V276-I310 HydrophobicContact CG2-CG1 4.31Å; V276-I310 HydrophobicContact CG2-CG2 4.41Å
277	G	98.1	Very high	97.6	Very high	11 Å²	11	51.3 Å²	51.3	11%	0.113	27%	0.266	C	S	.	.	S	Bend	trans	94.3	2.2	179	0	0	0	0	0	115.3	D149 W279 K280 S308	D149-G277 PolarHBondContact OD1-N 3.01Å; D149-G277 PolarHBondContact OD2-N 3.12Å; G277-W279 PolarHBondContact O-N 3.47Å; G277-K280 PolarHBondContact O-N 2.9Å; G277-S308 WeakPolarHBondContact CA-O 3.03Å
278	D	98.3	Very high	97.7	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.016	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-62.6	-24.2	178.7	-176.3	51.2	0	0	0	111.9	D149 R272 K273 K280 N281 H282	D149-D278 PolarHBondContact OD1-N 2.97Å; R272-D278 IonicContact CZ-OD2 2.67Å; R272-D278 VanDerWaalsContact CZ-OD2 3.24Å; R272-D278 IonicContact NH1-OD2 3.42Å; R272-D278 PolarHBondContact NH1-OD2 3.27Å; R272-D278 IonicContact NH2-OD2 3.47Å; R272-D278 PolarHBondContact NH2-OD2 3.47Å; K273-D278 HydrophobicContact CD-CB 4.42Å; K273-D278 WeakPolarHBondContact CD-OD1 3.44Å; K273-D278 WeakPolarHBondContact CD-OD2 3.35Å; K273-D278 WeakPolarHBondContact CE-OD1 3.46Å; K273-D278 IonicContact NZ-OD1 3.64Å; K273-D278 PolarHBondContact NZ-OD1 3.4Å; K273-D278 IonicContact NZ-OD2 3.61Å; D278-K280 PolarHBondContact O-N 2.99Å; D278-N281 WeakPolarHBondContact O-CB 3.29Å; D278-N281 PolarHBondContact O-N 3.18Å; D278-N281 PolarHBondContact OD1-ND2 3.12Å; D278-H282 PolarHBondContact O-CD2 2.87Å; D278-H282 IonicContact OD1-NE2 3.18Å; D278-H282 IonicContact OD2-CD2 3.23Å; D278-H282 IonicContact OD2-NE2 3.26Å; D278-H282 PolarHBondContact OD2-NE2 3.5Å
279	W	98.4	Very high	97.7	Very high	22 Å²	22	54.5 Å²	54.5	8%	0.083	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-50.8	-30.6	176.1	69.1	-93.1	0	0	0	114.3	K148 D149 V152 G277 N281 H282 F283 S308	K148-W279 HydrophobicContact CB-CB 3.69Å; K148-W279 HydrophobicContact CB-CD2 3.81Å; K148-W279 HydrophobicContact CB-CE3 4.29Å; K148-W279 HydrophobicContact CB-CG 3.53Å; K148-W279 HydrophobicContact CD-CD2 3.61Å; K148-W279 HydrophobicContact CD-CE3 3.49Å; K148-W279 VanDerWaalsContact CD-CE3 3.49Å; K148-W279 HydrophobicContact CD-CG 4.28Å; K148-W279 HydrophobicContact CD-CH2 3.94Å; K148-W279 HydrophobicContact CD-CZ2 4.05Å; K148-W279 HydrophobicContact CD-CZ3 3.66Å; K148-W279 HydrophobicContact CG-CD2 4.37Å; K148-W279 HydrophobicContact CG-CE3 4.49Å; D149-W279 PolarHBondContact OD1-N 3.09Å; V152-W279 HydrophobicContact CG2-CB 4.17Å; G277-W279 PolarHBondContact O-N 3.47Å; W279-N281 PolarHBondContact O-N 2.93Å; W279-N281 VanDerWaalsContact O-N 3.16Å; W279-H282 PolarHBondContact O-N 3.14Å; W279-F283 HydrophobicContact CB-CD2 4.07Å; W279-F283 HydrophobicContact CB-CE2 4.12Å; W279-F283 HydrophobicContact CE3-CB 4.2Å; W279-F283 HydrophobicContact CE3-CD2 4.13Å; W279-F283 HydrophobicContact CE3-CG 4.2Å; W279-F283 WeakPolarHBondContact O-CD2 3.38Å; W279-F283 PolarHBondContact O-N 3.41Å; W279-S308 PolarHBondContact NE1-O 3Å
280	K	97.9	Very high	97.8	Very high	111 Å²	111	54.4 Å²	54.4	48%	0.483	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-60.7	-23.4	176.5	-71	178.9	167.3	176.1	0	113.8	G277 D278 H282 L309	G277-K280 PolarHBondContact O-N 2.9Å; D278-K280 PolarHBondContact O-N 2.99Å; K280-H282 VanDerWaalsContact C-N 3.28Å; K280-L309 HydrophobicContact CD-CD2 4.08Å; K280-L309 VanDerWaalsContact NZ-CD2 3.26Å
281	N	98.1	Very high	97.9	Very high	118 Å²	118	53 Å²	53	63%	0.631	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-82.1	-6.7	178	-61.4	-46.5	0	0	0	113.1	D278 W279	D278-N281 WeakPolarHBondContact O-CB 3.29Å; D278-N281 PolarHBondContact O-N 3.18Å; D278-N281 PolarHBondContact OD1-ND2 3.12Å; W279-N281 PolarHBondContact O-N 2.93Å; W279-N281 VanDerWaalsContact O-N 3.16Å
282	H	98.1	Very high	97.9	Very high	40 Å²	40	54.8 Å²	54.8	19%	0.185	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-36.7	-173.4	-55.6	-83.9	0	0	0	113.2	V152 Y156 F170 D278 W279 K280	V152-H282 WeakPolarHBondContact CG1-CD2 3.5Å; V152-H282 HydrophobicContact CG2-CB 4Å; Y156-H282 AromaticContact CE2-CE1 3.39Å; Y156-H282 WeakPolarHBondContact CE2-CE1 3.38Å; Y156-H282 AromaticContact CE2-ND1 3.63Å; Y156-H282 AromaticContact CZ-CE1 3.7Å; Y156-H282 AromaticContact CZ-ND1 3.92Å; Y156-H282 PolarHBondContact OH-CE1 3.22Å; Y156-H282 PolarHBondContact OH-ND1 2.71Å; F170-H282 HydrophobicContact CE1-CB 3.91Å; F170-H282 WeakPolarHBondContact CE1-O 3.13Å; F170-H282 HydrophobicContact CZ-CB 3.87Å; D278-H282 PolarHBondContact O-CD2 2.87Å; D278-H282 IonicContact OD1-NE2 3.18Å; D278-H282 IonicContact OD2-CD2 3.23Å; D278-H282 IonicContact OD2-NE2 3.26Å; D278-H282 PolarHBondContact OD2-NE2 3.5Å; W279-H282 PolarHBondContact O-N 3.14Å; K280-H282 VanDerWaalsContact C-N 3.28Å
283	F	98.3	Very high	98	Very high	17 Å²	17	58.1 Å²	58.1	8%	0.075	29%	0.294	C	S	.	.			trans	-77.9	134.4	178.3	-79.7	-108.8	0	0	0	111	K148 L151 V152 F170 I174 W279 Q287 F291	K148-F283 HydrophobicContact CB-CE2 4.21Å; K148-F283 HydrophobicContact CB-CZ 4.28Å; K148-F283 HydrophobicContact CG-CZ 4.26Å; L151-F283 HydrophobicContact CD1-CZ 4.05Å; L151-F283 HydrophobicContact CD2-CE2 4.43Å; L151-F283 HydrophobicContact CD2-CZ 4.24Å; V152-F283 HydrophobicContact CG2-CD2 4.13Å; V152-F283 HydrophobicContact CG2-CE2 3.69Å; F170-F283 HydrophobicContact CE1-CD2 4.28Å; F170-F283 HydrophobicContact CE1-CE2 4.48Å; F170-F283 HydrophobicContact CZ-CD2 4.08Å; F170-F283 AromaticContact CZ-CE2 3.93Å; F170-F283 HydrophobicContact CZ-CE2 3.93Å; I174-F283 HydrophobicContact CD1-CD1 4.27Å; I174-F283 HydrophobicContact CD1-CE1 4.03Å; I174-F283 HydrophobicContact CD1-CZ 4.48Å; I174-F283 HydrophobicContact CG1-CE1 4.42Å; W279-F283 HydrophobicContact CB-CD2 4.07Å; W279-F283 HydrophobicContact CB-CE2 4.12Å; W279-F283 HydrophobicContact CE3-CB 4.2Å; W279-F283 HydrophobicContact CE3-CD2 4.13Å; W279-F283 HydrophobicContact CE3-CG 4.2Å; W279-F283 WeakPolarHBondContact O-CD2 3.38Å; W279-F283 PolarHBondContact O-N 3.41Å; F283-Q287 HydrophobicContact CD1-CB 3.95Å; F283-F291 HydrophobicContact CE1-CB 4.12Å; F283-F291 HydrophobicContact CE1-CD2 4.25Å; F283-F291 HydrophobicContact CE1-CG 4.2Å
284	T	98.5	Very high	98.1	Very high	60 Å²	60	55.9 Å²	55.9	37%	0.368	29%	0.286	S	S	.	.			trans	-71.4	160.6	160.1	82	0	0	0	0	110.3	E286 Q287 S288	T284-E286 WeakPolarHBondContact CB-OE2 3.38Å; T284-E286 PolarHBondContact O-N 3.15Å; T284-E286 PolarHBondContact OG1-N 3.06Å; T284-E286 PolarHBondContact OG1-OE2 3.36Å; T284-Q287 VanDerWaalsContact N-OE1 3.07Å; T284-Q287 PolarHBondContact O-N 2.98Å; T284-Q287 PolarHBondContact OG1-N 3.26Å; T284-S288 PolarHBondContact O-N 3.06Å
285	P	98.3	Very high	98.3	Very high	99 Å²	99	57.8 Å²	57.8	64%	0.643	29%	0.29	S	S	*	.	H	α-helix	trans	-54.2	-39.2	173.7	-27.1	36.6	0	0	0	113.1	S288 K289	P285-S288 PolarHBondContact O-N 3.49Å; P285-K289 WeakPolarHBondContact O-CB 3.34Å; P285-K289 PolarHBondContact O-N 3.37Å
286	E	98.4	Very high	98.4	Very high	130 Å²	130	59.6 Å²	59.6	61%	0.607	30%	0.298	S	S	*	.	H	α-helix	trans	-68.2	-45.7	179.9	-59	69.3	-148	0	0	111.3	T284 S288 K289 M290	T284-E286 WeakPolarHBondContact CB-OE2 3.38Å; T284-E286 PolarHBondContact O-N 3.15Å; T284-E286 PolarHBondContact OG1-N 3.06Å; T284-E286 PolarHBondContact OG1-OE2 3.36Å; E286-S288 VanDerWaalsContact C-N 3.32Å; E286-S288 PolarHBondContact O-N 3.12Å; E286-K289 PolarHBondContact O-N 2.79Å; E286-M290 WeakPolarHBondContact O-CB 3.48Å; E286-M290 PolarHBondContact O-N 3.19Å
287	Q	98.6	Very high	98.3	Very high	23 Å²	23	65.7 Å²	65.7	11%	0.107	32%	0.323	C	S	.	.	H	α-helix	trans	-62.2	-41.4	175.4	-72.5	172.9	-22.2	0	0	111.4	D171 I174 F283 T284 F291	D171-Q287 PolarHBondContact OD1-NE2 2.83Å; I174-Q287 HydrophobicContact CD1-CB 4.04Å; I174-Q287 HydrophobicContact CD1-CG 3.99Å; F283-Q287 HydrophobicContact CD1-CB 3.95Å; T284-Q287 VanDerWaalsContact N-OE1 3.07Å; T284-Q287 PolarHBondContact O-N 2.98Å; T284-Q287 PolarHBondContact OG1-N 3.26Å; Q287-F291 VanDerWaalsContact O-CB 3.31Å; Q287-F291 WeakPolarHBondContact O-CB 3.15Å; Q287-F291 PolarHBondContact O-N 2.87Å
288	S	98.5	Very high	98.4	Very high	18 Å²	18	68.2 Å²	68.2	13%	0.126	33%	0.332	C	S	.	.	H	α-helix	trans	-61.3	-47.6	176.8	-178.7	0	0	0	0	110.9	K148 T284 P285 E286 F291 D292	K148-S288 PolarHBondContact NZ-OG 3.47Å; T284-S288 PolarHBondContact O-N 3.06Å; P285-S288 PolarHBondContact O-N 3.49Å; E286-S288 VanDerWaalsContact C-N 3.32Å; E286-S288 PolarHBondContact O-N 3.12Å; S288-F291 PolarHBondContact O-N 3.27Å; S288-D292 WeakPolarHBondContact O-CB 3.45Å; S288-D292 PolarHBondContact O-N 3.46Å; S288-D292 PolarHBondContact OG-OD2 2.9Å
289	K	98.5	Very high	98.3	Very high	134 Å²	134	68.7 Å²	68.7	58%	0.583	33%	0.334	S	S	*	.	H	α-helix	trans	-61.1	-47.8	179.5	-175.5	-175.6	176.1	-167.3	0	111.7	P285 E286 F291 D292 E293	P285-K289 WeakPolarHBondContact O-CB 3.34Å; P285-K289 PolarHBondContact O-N 3.37Å; E286-K289 PolarHBondContact O-N 2.79Å; K289-F291 VanDerWaalsContact C-N 3.29Å; K289-F291 PolarHBondContact O-N 2.82Å; K289-D292 PolarHBondContact O-N 3.2Å; K289-E293 WeakPolarHBondContact CE-OE1 3.21Å; K289-E293 IonicContact NZ-OE1 2.68Å; K289-E293 WeakPolarHBondContact O-CG 3.22Å; K289-E293 PolarHBondContact O-N 3.08Å
290	M	98.6	Very high	98.2	Very high	55 Å²	55	74.8 Å²	74.8	27%	0.271	36%	0.361	S	S	.	.	H	α-helix	trans	-57.5	-44	176	176.3	-166.1	68.4	0	0	111.6	I174 H175 M178 E286 E293 D294	I174-M290 HydrophobicContact CG2-CE 3.76Å; H175-M290 PolarHBondContact CE1-SD 3.14Å; M178-M290 HydrophobicContact CE-CE 4.44Å; M178-M290 HydrophobicContact CE-CG 4.37Å; M178-M290 HydrophobicContact SD-CE 3.82Å; E286-M290 WeakPolarHBondContact O-CB 3.48Å; E286-M290 PolarHBondContact O-N 3.19Å; M290-E293 PolarHBondContact O-N 3.42Å; M290-D294 PolarHBondContact O-N 3.39Å
291	F	98.6	Very high	98.1	Very high	1 Å²	1	76 Å²	76	0%	0.004	37%	0.373	C	S	.	.	H	α-helix	trans	-65.1	-41.3	178.1	-170.7	-82	0	0	0	111.6	A147 K148 L151 I174 F177 M178 F283 Q287 S288 K289 D294 Y295	A147-F291 HydrophobicContact CB-CE1 3.87Å; A147-F291 HydrophobicContact CB-CZ 3.62Å; K148-F291 HydrophobicContact CD-CD1 4.34Å; K148-F291 HydrophobicContact CG-CD1 3.79Å; K148-F291 HydrophobicContact CG-CE1 3.77Å; K148-F291 HydrophobicContact CG-CZ 4.49Å; L151-F291 HydrophobicContact CD1-CD2 4.19Å; L151-F291 HydrophobicContact CD1-CE2 3.69Å; I174-F291 HydrophobicContact CG2-CD2 4.22Å; F177-F291 HydrophobicContact CD1-CE2 4.08Å; F177-F291 HydrophobicContact CD1-CZ 4.46Å; F177-F291 HydrophobicContact CE1-CE2 4.27Å; F177-F291 HydrophobicContact CE1-CZ 4.19Å; M178-F291 HydrophobicContact CG-CD2 3.8Å; M178-F291 HydrophobicContact CG-CE2 3.87Å; M178-F291 HydrophobicContact SD-CD2 3.96Å; F283-F291 HydrophobicContact CE1-CB 4.12Å; F283-F291 HydrophobicContact CE1-CD2 4.25Å; F283-F291 HydrophobicContact CE1-CG 4.2Å; Q287-F291 VanDerWaalsContact O-CB 3.31Å; Q287-F291 WeakPolarHBondContact O-CB 3.15Å; Q287-F291 PolarHBondContact O-N 2.87Å; S288-F291 PolarHBondContact O-N 3.27Å; K289-F291 VanDerWaalsContact C-N 3.29Å; K289-F291 PolarHBondContact O-N 2.82Å; F291-D294 PolarHBondContact O-N 3.34Å; F291-Y295 HydrophobicContact CE1-CD2 4.07Å; F291-Y295 VanDerWaalsContact O-CB 3.24Å; F291-Y295 WeakPolarHBondContact O-CB 3.37Å; F291-Y295 PolarHBondContact O-N 3Å
292	D	98.5	Very high	97.9	Very high	59 Å²	59	71.9 Å²	71.9	32%	0.316	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-42	178.5	-69.5	-32.8	0	0	0	111.6	K148 S288 K289 Y295 E296	K148-D292 WeakPolarHBondContact CE-OD1 3.49Å; K148-D292 IonicContact NZ-OD1 3.57Å; K148-D292 PolarHBondContact NZ-OD1 3.44Å; K148-D292 IonicContact NZ-OD2 3.99Å; K148-D292 PolarHBondContact NZ-OD2 2.89Å; S288-D292 WeakPolarHBondContact O-CB 3.45Å; S288-D292 PolarHBondContact O-N 3.46Å; S288-D292 PolarHBondContact OG-OD2 2.9Å; K289-D292 PolarHBondContact O-N 3.2Å; D292-Y295 PolarHBondContact O-N 3.25Å; D292-E296 WeakPolarHBondContact O-CB 3.45Å; D292-E296 WeakPolarHBondContact O-CG 3.45Å; D292-E296 PolarHBondContact O-N 3.1Å
293	E	98.5	Very high	97.7	Very high	110 Å²	110	76.8 Å²	76.8	51%	0.514	38%	0.38	S	S	.	.	H	α-helix	trans	-62.3	-42.9	176	-70.8	172.7	-176.7	0	0	112.6	K289 M290 K297	K289-E293 WeakPolarHBondContact CE-OE1 3.21Å; K289-E293 IonicContact NZ-OE1 2.68Å; K289-E293 WeakPolarHBondContact O-CG 3.22Å; K289-E293 PolarHBondContact O-N 3.08Å; M290-E293 PolarHBondContact O-N 3.42Å; E293-K297 PolarHBondContact O-N 3.06Å
294	D	98.7	Very high	97.6	Very high	30 Å²	30	76.4 Å²	76.4	16%	0.16	38%	0.378	C	S	.	.	H	α-helix	trans	-67.5	-44.1	173.6	-179.6	64.8	0	0	0	111.5	M178 Y188 M290 F291 E296 K297 Q298	M178-D294 HydrophobicContact CE-CB 3.33Å; Y188-D294 PolarHBondContact OH-OD2 3.44Å; M290-D294 PolarHBondContact O-N 3.39Å; F291-D294 PolarHBondContact O-N 3.34Å; D294-E296 PolarHBondContact O-N 2.97Å; D294-K297 WeakPolarHBondContact O-CB 3.31Å; D294-K297 PolarHBondContact O-N 3.25Å; D294-K297 VanDerWaalsContact O-N 3.1Å; D294-Q298 VanDerWaalsContact O-CG 3.24Å; D294-Q298 WeakPolarHBondContact O-CG 3.24Å; D294-Q298 PolarHBondContact O-N 3.25Å; D294-Q298 PolarHBondContact OD1-NE2 2.9Å
295	Y	98.5	Very high	97.5	Very high	51 Å²	51	77.2 Å²	77.2	20%	0.2	38%	0.384	C	S	.	.	H	α-helix	trans	-57.4	-47.7	179.1	-177.5	-82.1	0	0	0	111.6	A147 W187 Y188 F291 D292 K297 Q298 M299 F306	A147-Y295 HydrophobicContact CB-CD2 4.26Å; A147-Y295 HydrophobicContact CB-CE2 4.16Å; W187-Y295 AromaticContact CH2-CE2 3.64Å; W187-Y295 HydrophobicContact CH2-CE2 3.64Å; W187-Y295 HydrophobicContact CZ3-CD2 4.18Å; W187-Y295 AromaticContact CZ3-CE2 3.53Å; W187-Y295 HydrophobicContact CZ3-CE2 3.53Å; Y188-Y295 HydrophobicContact CD1-CD2 4.48Å; Y188-Y295 AromaticContact CE1-CD2 3.79Å; Y188-Y295 HydrophobicContact CE1-CD2 3.79Å; Y188-Y295 HydrophobicContact CE1-CG 4.42Å; F291-Y295 HydrophobicContact CE1-CD2 4.07Å; F291-Y295 VanDerWaalsContact O-CB 3.24Å; F291-Y295 WeakPolarHBondContact O-CB 3.37Å; F291-Y295 PolarHBondContact O-N 3Å; D292-Y295 PolarHBondContact O-N 3.25Å; Y295-K297 VanDerWaalsContact C-N 3.27Å; Y295-K297 PolarHBondContact O-N 2.68Å; Y295-Q298 PolarHBondContact O-N 3.1Å; Y295-M299 HydrophobicContact CD1-CB 4.37Å; Y295-M299 HydrophobicContact CD1-CG 4.11Å; Y295-M299 HydrophobicContact CD2-CG 4.18Å; Y295-M299 HydrophobicContact CE1-CB 4.06Å; Y295-M299 HydrophobicContact CE1-CG 3.83Å; Y295-M299 HydrophobicContact CE2-CG 3.92Å; Y295-M299 HydrophobicContact CG-CG 4.26Å; Y295-M299 VanDerWaalsContact O-CB 3.28Å; Y295-M299 WeakPolarHBondContact O-CB 3.39Å; Y295-M299 WeakPolarHBondContact O-CG 3.22Å; Y295-M299 PolarHBondContact O-N 2.8Å; Y295-F306 WeakPolarHBondContact OH-CD2 3.28Å
296	E	97.9	Very high	97.5	Very high	139 Å²	139	74 Å²	74	65%	0.65	36%	0.36	S	S	*	.	H	α-helix	trans	-56.5	-43.4	176.3	-76.9	179.3	-175.9	0	0	111.3	D292 D294 K300	D292-E296 WeakPolarHBondContact O-CB 3.45Å; D292-E296 WeakPolarHBondContact O-CG 3.45Å; D292-E296 PolarHBondContact O-N 3.1Å; D294-E296 PolarHBondContact O-N 2.97Å; E296-K300 WeakPolarHBondContact O-CA 3.46Å; E296-K300 WeakPolarHBondContact O-CB 3.49Å; E296-K300 PolarHBondContact O-N 2.96Å
297	K	98.1	Very high	97.5	Very high	149 Å²	149	70.9 Å²	70.9	65%	0.648	34%	0.343	S	S	*	.	H	α-helix	trans	-66	-44.3	177.3	-176.4	-175.9	176.2	-173.4	0	112.7	E293 D294 Y295 K300	E293-K297 PolarHBondContact O-N 3.06Å; D294-K297 WeakPolarHBondContact O-CB 3.31Å; D294-K297 PolarHBondContact O-N 3.25Å; D294-K297 VanDerWaalsContact O-N 3.1Å; Y295-K297 VanDerWaalsContact C-N 3.27Å; Y295-K297 PolarHBondContact O-N 2.68Å; K297-K300 WeakPolarHBondContact O-CG 3.22Å
298	Q	98.3	Very high	97.2	Very high	63 Å²	63	72.3 Å²	72.3	29%	0.294	36%	0.355	S	S	.	.	H	α-helix	trans	-73.2	-27.9	-176.2	-65	-65.5	-13.3	0	0	113.2	Y188 K192 D294 Y295	Y188-Q298 HydrophobicContact CD1-CB 3.61Å; Y188-Q298 HydrophobicContact CD1-CG 4.21Å; Y188-Q298 HydrophobicContact CD2-CB 4.07Å; Y188-Q298 HydrophobicContact CD2-CG 3.89Å; Y188-Q298 HydrophobicContact CE1-CB 3.88Å; Y188-Q298 HydrophobicContact CE1-CG 4.15Å; Y188-Q298 HydrophobicContact CE2-CB 4.27Å; Y188-Q298 HydrophobicContact CE2-CG 3.79Å; Y188-Q298 HydrophobicContact CG-CB 3.73Å; Y188-Q298 HydrophobicContact CG-CG 4.09Å; K192-Q298 PolarHBondContact NZ-O 3.49Å; K192-Q298 VanDerWaalsContact NZ-O 3.14Å; D294-Q298 VanDerWaalsContact O-CG 3.24Å; D294-Q298 WeakPolarHBondContact O-CG 3.24Å; D294-Q298 PolarHBondContact O-N 3.25Å; D294-Q298 PolarHBondContact OD1-NE2 2.9Å; Y295-Q298 PolarHBondContact O-N 3.1Å
299	M	97.9	Very high	96.6	Very high	13 Å²	13	75.3 Å²	75.3	6%	0.064	37%	0.37	C	S	.	.	H	α-helix	trans	-106.9	-0.7	-174.1	-59.1	-63.9	-69.5	0	0	113.7	W187 Y188 V191 K192 Y295 D301 V302 I304 F306	W187-M299 HydrophobicContact CZ3-CE 4.39Å; W187-M299 HydrophobicContact CZ3-SD 4.1Å; Y188-M299 HydrophobicContact CD1-CG 4.05Å; Y188-M299 HydrophobicContact CD1-SD 3.89Å; V191-M299 HydrophobicContact CG2-CE 4.19Å; K192-M299 HydrophobicContact CD-SD 4.1Å; K192-M299 HydrophobicContact CG-CE 4.23Å; K192-M299 HydrophobicContact CG-SD 4.13Å; Y295-M299 HydrophobicContact CD1-CB 4.37Å; Y295-M299 HydrophobicContact CD1-CG 4.11Å; Y295-M299 HydrophobicContact CD2-CG 4.18Å; Y295-M299 HydrophobicContact CE1-CB 4.06Å; Y295-M299 HydrophobicContact CE1-CG 3.83Å; Y295-M299 HydrophobicContact CE2-CG 3.92Å; Y295-M299 HydrophobicContact CG-CG 4.26Å; Y295-M299 VanDerWaalsContact O-CB 3.28Å; Y295-M299 WeakPolarHBondContact O-CB 3.39Å; Y295-M299 WeakPolarHBondContact O-CG 3.22Å; Y295-M299 PolarHBondContact O-N 2.8Å; M299-D301 PolarHBondContact O-N 3.38Å; M299-V302 CarbonylContact O-C 3.52Å; M299-V302 PolarHBondContact O-N 2.68Å; M299-I304 HydrophobicContact CE-CB 4.44Å; M299-I304 HydrophobicContact CE-CD1 3.91Å; M299-I304 HydrophobicContact CE-CG1 4.13Å; M299-F306 HydrophobicContact CE-CE2 4.29Å
300	K	96.2	Very high	95.8	Very high	151 Å²	151	74.6 Å²	74.6	66%	0.657	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-33.6	-175.8	69.6	-179.8	-172.4	171.1	0	115.2	E296 K297	E296-K300 WeakPolarHBondContact O-CA 3.46Å; E296-K300 WeakPolarHBondContact O-CB 3.49Å; E296-K300 PolarHBondContact O-N 2.96Å; K297-K300 WeakPolarHBondContact O-CG 3.22Å
301	D	94.2	Very high	95.6	Very high	137 Å²	137	75.6 Å²	75.6	73%	0.733	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-3.9	-173.4	-58.6	-48.1	0	0	0	112.9	M299	M299-D301 PolarHBondContact O-N 3.38Å
302	V	94.2	Very high	95.5	Very high	30 Å²	30	79.5 Å²	79.5	18%	0.182	40%	0.395	C	S	.	.			trans	-137.4	117.3	-177	-169.4	0	0	0	0	110.9	K192 W195 M299 I304	K192-V302 HydrophobicContact CD-CB 4.39Å; K192-V302 HydrophobicContact CD-CG2 3.86Å; K192-V302 HydrophobicContact CG-CB 4.23Å; K192-V302 HydrophobicContact CG-CG2 3.96Å; W195-V302 HydrophobicContact CG-CG1 4.35Å; M299-V302 CarbonylContact O-C 3.52Å; M299-V302 PolarHBondContact O-N 2.68Å; V302-I304 HydrophobicContact CB-CG1 4.43Å; V302-I304 HydrophobicContact CG1-CD1 3.99Å; V302-I304 HydrophobicContact CG1-CG1 3.51Å; V302-I304 PolarHBondContact O-N 3.19Å
303	N	93.7	Very high	95.3	Very high	144 Å²	144	80.6 Å²	80.6	77%	0.77	40%	0.4	S	S	*	.			trans	-87.8	91.5	173.4	-168.3	8.7	0	0	0	110.7
304	I	97.4	Very high	95.1	Very high	9 Å²	9	78.9 Å²	78.9	5%	0.046	39%	0.393	C	S	.	.			trans	-102	123	170.4	-47.1	-173.6	0	0	0	108	V191 K192 W195 F207 M299 V302 F306	V191-I304 HydrophobicContact CB-CD1 4.42Å; V191-I304 HydrophobicContact CG2-CD1 4.14Å; K192-I304 HydrophobicContact CG-CD1 4.44Å; W195-I304 HydrophobicContact CB-CD1 3.67Å; W195-I304 HydrophobicContact CB-CG1 4.34Å; W195-I304 HydrophobicContact CD2-CD1 4.15Å; W195-I304 HydrophobicContact CD2-CG1 3.91Å; W195-I304 HydrophobicContact CD2-CG2 4.16Å; W195-I304 HydrophobicContact CE3-CG2 4.04Å; W195-I304 HydrophobicContact CG-CD1 3.7Å; W195-I304 HydrophobicContact CG-CG1 3.8Å; W195-I304 HydrophobicContact CH2-CG2 4.4Å; W195-I304 HydrophobicContact CZ2-CG2 4.5Å; W195-I304 HydrophobicContact CZ3-CG2 4.19Å; F207-I304 HydrophobicContact CE1-CG2 3.55Å; F207-I304 HydrophobicContact CZ-CG2 3.64Å; M299-I304 HydrophobicContact CE-CB 4.44Å; M299-I304 HydrophobicContact CE-CD1 3.91Å; M299-I304 HydrophobicContact CE-CG1 4.13Å; V302-I304 HydrophobicContact CB-CG1 4.43Å; V302-I304 HydrophobicContact CG1-CD1 3.99Å; V302-I304 HydrophobicContact CG1-CG1 3.51Å; V302-I304 PolarHBondContact O-N 3.19Å; I304-F306 HydrophobicContact CB-CD2 3.85Å; I304-F306 HydrophobicContact CB-CE2 3.64Å; I304-F306 HydrophobicContact CD1-CE2 4.12Å; I304-F306 HydrophobicContact CG1-CE2 4.42Å; I304-F306 HydrophobicContact CG2-CD2 3.77Å; I304-F306 HydrophobicContact CG2-CE2 3.38Å; I304-F306 HydrophobicContact CG2-CZ 3.85Å; I304-F306 PolarHBondContact O-N 2.95Å
305	P	96.8	Very high	94.9	Very high	76 Å²	76	81.9 Å²	81.9	49%	0.494	41%	0.408	S	S	.	.			trans	-79.6	58.3	-170	34.5	-39.1	0	0	0	113.3	W195 F207	W195-P305 HydrophobicContact CH2-CG 4.44Å; F207-P305 HydrophobicContact CE2-CG 4.11Å; F207-P305 HydrophobicContact CZ-CG 3.91Å
306	F	97.9	Very high	94.7	Very high	32 Å²	32	84 Å²	84	14%	0.14	42%	0.422	C	S	.	.			trans	-66.4	141.7	174.1	-71.4	-73.2	0	0	0	111.6	A144 N146 W187 V191 F207 Y295 M299 I304	A144-F306 HydrophobicContact CB-CE1 3.48Å; A144-F306 VanDerWaalsContact CB-CE1 3.48Å; A144-F306 HydrophobicContact CB-CZ 3.72Å; N146-F306 HydrophobicContact CB-CB 4.4Å; N146-F306 HydrophobicContact CB-CD1 4.49Å; W187-F306 AromaticContact CH2-CD2 3.91Å; W187-F306 HydrophobicContact CH2-CD2 3.91Å; W187-F306 HydrophobicContact CH2-CE1 4.45Å; W187-F306 AromaticContact CH2-CE2 3.51Å; W187-F306 HydrophobicContact CH2-CE2 3.51Å; W187-F306 AromaticContact CH2-CZ 3.82Å; W187-F306 HydrophobicContact CH2-CZ 3.82Å; W187-F306 HydrophobicContact CZ2-CD1 4.42Å; W187-F306 HydrophobicContact CZ2-CD2 4.3Å; W187-F306 AromaticContact CZ2-CE1 3.91Å; W187-F306 HydrophobicContact CZ2-CE1 3.91Å; W187-F306 AromaticContact CZ2-CE2 3.77Å; W187-F306 HydrophobicContact CZ2-CE2 3.77Å; W187-F306 AromaticContact CZ2-CZ 3.56Å; W187-F306 HydrophobicContact CZ2-CZ 3.56Å; V191-F306 HydrophobicContact CB-CE2 4.44Å; V191-F306 HydrophobicContact CB-CZ 4Å; V191-F306 HydrophobicContact CG1-CZ 3.97Å; V191-F306 HydrophobicContact CG2-CE2 4.11Å; V191-F306 HydrophobicContact CG2-CZ 4.13Å; F207-F306 AromaticContact CD1-CD1 3.92Å; F207-F306 HydrophobicContact CD1-CD1 3.92Å; F207-F306 AromaticContact CD1-CE1 3.91Å; F207-F306 HydrophobicContact CD1-CE1 3.91Å; F207-F306 AromaticContact CE1-CD1 3.99Å; F207-F306 HydrophobicContact CE1-CD1 3.99Å; F207-F306 AromaticContact CE1-CE1 3.85Å; F207-F306 HydrophobicContact CE1-CE1 3.85Å; F207-F306 HydrophobicContact CE1-CG 4.48Å; F207-F306 HydrophobicContact CE1-CZ 4.23Å; Y295-F306 WeakPolarHBondContact OH-CD2 3.28Å; M299-F306 HydrophobicContact CE-CE2 4.29Å; I304-F306 HydrophobicContact CB-CD2 3.85Å; I304-F306 HydrophobicContact CB-CE2 3.64Å; I304-F306 HydrophobicContact CD1-CE2 4.12Å; I304-F306 HydrophobicContact CG1-CE2 4.42Å; I304-F306 HydrophobicContact CG2-CD2 3.77Å; I304-F306 HydrophobicContact CG2-CE2 3.38Å; I304-F306 HydrophobicContact CG2-CZ 3.85Å; I304-F306 PolarHBondContact O-N 2.95Å
307	R	97.5	Very high	94.4	Very high	64 Å²	64	80.1 Å²	80.1	24%	0.242	41%	0.405	C	S	.	.			trans	-114.1	132	174.2	-60.3	-175.1	-72.9	162.8	-10.3	109.1	N146 E209 D210 E213	N146-R307 VanDerWaalsContact CB-O 3.28Å; N146-R307 WeakPolarHBondContact CB-O 3.5Å; N146-R307 PolarHBondContact ND2-O 3.31Å; E209-R307 HydrophobicContact CB-CB 4.34Å; E209-R307 HydrophobicContact CG-CB 4.26Å; E209-R307 VanDerWaalsContact CG-O 3.29Å; E209-R307 WeakPolarHBondContact CG-O 3.37Å; D210-R307 IonicContact OD1-CZ 3.29Å; D210-R307 IonicContact OD1-NE 3.32Å; D210-R307 IonicContact OD1-NH2 2.95Å; D210-R307 PolarHBondContact OD1-NH2 3.44Å; E213-R307 IonicContact OE1-CZ 2.73Å; E213-R307 IonicContact OE1-NH1 3.51Å; E213-R307 PolarHBondContact OE1-NH1 3.38Å; E213-R307 IonicContact OE1-NH2 3.86Å; E213-R307 IonicContact OE2-CZ 3.91Å; E213-R307 IonicContact OE2-NH1 3.05Å; E213-R307 PolarHBondContact OE2-NH1 2.86Å; E213-R307 IonicContact OE2-NH2 3.16Å; E213-R307 PolarHBondContact OE2-NH2 2.73Å
308	S	92	Very high	94.2	Very high	53 Å²	53	74.8 Å²	74.8	37%	0.371	39%	0.387	S	S	.	.	S	Bend	trans	-92.6	-5	177	59.1	0	0	0	0	112.7	G277 W279	G277-S308 WeakPolarHBondContact CA-O 3.03Å; W279-S308 PolarHBondContact NE1-O 3Å
309	L	87	Confident	93.8	Very high	81 Å²	81	75.8 Å²	75.8	42%	0.424	39%	0.394	S	S	.	.			trans	-150.4	150	-177.8	-58.7	170.8	0	0	0	109.1	K280	K280-L309 HydrophobicContact CD-CD2 4.08Å; K280-L309 VanDerWaalsContact NZ-CD2 3.26Å
310	I	81	Confident	93.4	Very high	119 Å²	119	81.5 Å²	81.5	61%	0.61	42%	0.424	S	S	*	.			trans	-131.4	0	170	63.7	-178.7	0	0	0	109.4	E209 K212 V276	E209-I310 HydrophobicContact CB-CG2 4.06Å; K212-I310 HydrophobicContact CB-CD1 3.64Å; V276-I310 HydrophobicContact CB-CD1 3.99Å; V276-I310 HydrophobicContact CB-CG1 3.99Å; V276-I310 HydrophobicContact CB-CG2 4.41Å; V276-I310 HydrophobicContact CG1-CG2 4.21Å; V276-I310 HydrophobicContact CG2-CD1 3.79Å; V276-I310 HydrophobicContact CG2-CG1 4.31Å; V276-I310 HydrophobicContact CG2-CG2 4.41Å

Retrieved 310 of 310 residues in 257.5 ms (Link to these results)

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