A0A087WZ88_HUMAN Loading...

Retinoid X receptor gamma

AlphaFold DB , UniProt , Accession A0A087WZ88, Species HUMAN (Homo sapiens, Human), Gene RXRG, Length 340 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	41	Very low	228 Å²	228	134.9 Å²	134.9	100%	1.123	79%	0.786	S	S	*	*				0	106.7	0	-78	176.6	174.5	0	0	107.4
2	N	32	Very low	42.5	Very low	169 Å²	169	132.8 Å²	132.8	90%	0.904	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-92.1	118.8	177.2	-81.6	-2.5	0	0	0	109
3	Y	32.8	Very low	43.9	Very low	219 Å²	219	131.8 Å²	131.8	86%	0.859	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-79	131.9	166.3	-87.1	-91.3	0	0	0	109.5
4	P	44.1	Very low	46.7	Very low	115 Å²	115	130.6 Å²	130.6	75%	0.747	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-83.2	121.6	167.6	26.2	-17.8	0	0	0	109.8
5	S	34.1	Very low	50	Low	114 Å²	114	127.7 Å²	127.7	80%	0.797	72%	0.721	S	S	*	*			trans	-80.5	106.7	169.5	48.9	0	0	0	0	110.2
6	T	39.2	Very low	52.9	Low	136 Å²	136	119.8 Å²	119.8	83%	0.834	68%	0.677	S	S	*	*			trans	-89.1	108.9	171.7	25.1	0	0	0	0	110.8
7	S	39.8	Very low	55.5	Low	95 Å²	95	115.5 Å²	115.5	66%	0.664	66%	0.659	S	S	*	*			trans	-76.8	130.3	170.9	-54	0	0	0	0	110.8	G9	S7-G9 PolarHBondContact O-N 3.04Å
8	P	42.9	Very low	57.9	Low	135 Å²	135	109.1 Å²	109.1	88%	0.877	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-3.8	-175.3	-18.3	30.5	0	0	0	116.1
9	G	48.2	Very low	60	Low	56 Å²	56	103.6 Å²	103.6	58%	0.577	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-2.8	-170.1	0	0	0	0	0	116.8	S7	S7-G9 PolarHBondContact O-N 3.04Å
10	S	50.5	Low	61.8	Low	75 Å²	75	101 Å²	101	52%	0.524	59%	0.588	S	S	.	*	S	Bend	trans	-87.6	-15.6	-170.3	-164.5	0	0	0	0	115.1
11	L	54.1	Low	63.4	Low	142 Å²	142	97.4 Å²	97.4	74%	0.743	57%	0.567	S	S	*	*	S	Bend	trans	-77.9	-25.7	-176	-103.4	83.3	0	0	0	114.2	K13 H14	L11-K13 VanDerWaalsContact C-N 3.26Å; L11-K13 PolarHBondContact O-N 2.79Å; L11-H14 PolarHBondContact O-N 3.41Å
12	V	58	Low	66.4	Low	109 Å²	109	96.2 Å²	96.2	66%	0.661	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-71.1	-21.9	-173.7	-166.6	0	0	0	0	112.2	H14 I15	V12-H14 PolarHBondContact O-N 3.01Å; V12-H14 VanDerWaalsContact O-N 3.14Å; V12-I15 PolarHBondContact O-N 3.44Å
13	K	61.4	Low	69.5	Low	120 Å²	120	88.7 Å²	88.7	52%	0.522	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-68.4	-9.3	178.7	-67.7	-177.5	-179.2	177.5	0	113.9	L11 Y31	L11-K13 VanDerWaalsContact C-N 3.26Å; L11-K13 PolarHBondContact O-N 2.79Å; K13-Y31 HydrophobicContact CB-CE1 4.41Å; K13-Y31 WeakPolarHBondContact O-CD1 3.45Å
14	H	82.9	Confident	72.5	Confident	116 Å²	116	81.4 Å²	81.4	54%	0.537	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-111	4.1	-178	-65.5	-65.9	0	0	0	114.4	L11 V12 S23	L11-H14 PolarHBondContact O-N 3.41Å; V12-H14 PolarHBondContact O-N 3.01Å; V12-H14 VanDerWaalsContact O-N 3.14Å; H14-S23 PolarHBondContact O-N 3.5Å
15	I	95.6	Very high	74.8	Confident	86 Å²	86	77 Å²	77	44%	0.441	47%	0.467	S	S	.	.	B	Isolated β-bridge	trans	-115.1	136.9	-178	-57	179	0	0	0	110.2	V12 A17	V12-I15 PolarHBondContact O-N 3.44Å; I15-A17 PolarHBondContact O-N 2.72Å
16	C	97.6	Very high	77.7	Confident	2 Å²	2	78.1 Å²	78.1	1%	0.014	46%	0.458	C	S	.	.			trans	-70.5	116.7	176.4	176	0	0	0	0	110.1	I18 C19 G20 D21 C33	C16-I18 PolarHBondContact O-N 3.2Å; C16-C19 PolarHBondContact O-N 3.09Å; C16-G20 WeakPolarHBondContact O-CA 3.42Å; C16-G20 PolarHBondContact O-N 3.47Å; C16-D21 HydrophobicContact CB-CB 4.47Å; C16-D21 WeakPolarHBondContact CB-O 3.24Å; C16-D21 PolarHBondContact N-O 3.27Å; C16-C33 HydrophobicContact CB-CB 3.99Å; C16-C33 PolarHBondContact SG-N 3.32Å; C16-C33 VanDerWaalsContact SG-SG 3.67Å
17	A	96.9	Very high	80.4	Confident	46 Å²	46	73.1 Å²	73.1	38%	0.38	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.9	-178.8	0	0	0	0	0	114	I15 V30 Y31 M79	I15-A17 PolarHBondContact O-N 2.72Å; A17-V30 HydrophobicContact CB-CG1 3.74Å; A17-Y31 PolarHBondContact N-O 3.47Å; A17-M79 HydrophobicContact CB-CB 4.48Å; A17-M79 HydrophobicContact CB-CG 4.4Å; A17-M79 HydrophobicContact CB-SD 4.37Å
18	I	98.1	Very high	83.1	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.005	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-49.8	-176.2	-63.7	81.4	0	0	0	111.4	C16 V30 C36 I60 R72 K75 M81	C16-I18 PolarHBondContact O-N 3.2Å; I18-V30 HydrophobicContact CD1-CG1 4.21Å; I18-C36 HydrophobicContact CB-CB 4.25Å; I18-C36 HydrophobicContact CG1-CB 4.48Å; I18-C36 HydrophobicContact CG2-CB 4.38Å; I18-C36 VanDerWaalsContact CG2-SG 3.6Å; I18-I60 HydrophobicContact CG2-CG2 4.03Å; I18-I60 WeakPolarHBondContact O-CG2 3.42Å; I18-R72 HydrophobicContact CG2-CG 4.46Å; I18-K75 HydrophobicContact CG2-CD 4.48Å; I18-K75 HydrophobicContact CG2-CG 4.48Å; I18-K75 VanDerWaalsContact O-CD 3.25Å; I18-K75 WeakPolarHBondContact O-CD 3.49Å; I18-K75 WeakPolarHBondContact O-CE 3.44Å; I18-K75 PolarHBondContact O-NZ 3.42Å; I18-M81 HydrophobicContact CD1-CE 3.67Å; I18-M81 HydrophobicContact CD1-SD 4.25Å
19	C	97.4	Very high	85.5	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.034	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	2.3	-170.6	64.9	0	0	0	0	114.5	C16 D21 C33 C36 I60 D61 K62 R65	C16-C19 PolarHBondContact O-N 3.09Å; C19-D21 PolarHBondContact O-N 3.24Å; C19-C33 VanDerWaalsContact SG-SG 3.67Å; C19-C36 VanDerWaalsContact SG-SG 3.65Å; C19-I60 HydrophobicContact CB-CG2 4.12Å; C19-D61 CarbonylContact O-C 3.59Å; C19-D61 VanDerWaalsContact O-C 3.29Å; C19-D61 WeakPolarHBondContact O-CA 3.28Å; C19-K62 PolarHBondContact O-N 3.32Å; C19-R65 HydrophobicContact CB-CB 4.11Å; C19-R65 PolarHBondContact SG-NH1 2.81Å
20	G	96.1	Very high	87.8	Confident	51 Å²	51	63.6 Å²	63.6	53%	0.526	35%	0.352	S	S	.	.	S	Bend	trans	73.6	2.6	179.7	0	0	0	0	0	115.4	C16	C16-G20 WeakPolarHBondContact O-CA 3.42Å; C16-G20 PolarHBondContact O-N 3.47Å
21	D	96.8	Very high	90	Very high	26 Å²	26	64.5 Å²	64.5	14%	0.139	35%	0.345	C	S	.	.	S	Bend	trans	-70.9	169.2	173.9	-162	7.6	0	0	0	111.9	C16 C19 S23 C33 K62 R65	C16-D21 HydrophobicContact CB-CB 4.47Å; C16-D21 WeakPolarHBondContact CB-O 3.24Å; C16-D21 PolarHBondContact N-O 3.27Å; C19-D21 PolarHBondContact O-N 3.24Å; D21-S23 PolarHBondContact O-N 3.01Å; D21-C33 HydrophobicContact CB-CB 4.14Å; D21-K62 HydrophobicContact CB-CB 4.34Å; D21-K62 HydrophobicContact CB-CD 4.19Å; D21-K62 HydrophobicContact CB-CG 4.17Å; D21-K62 WeakPolarHBondContact OD1-CD 3.47Å; D21-K62 WeakPolarHBondContact OD1-CE 3.37Å; D21-K62 IonicContact OD1-NZ 2.8Å; D21-K62 PolarHBondContact OD1-NZ 3.25Å; D21-R65 IonicContact OD2-CZ 3.74Å; D21-R65 IonicContact OD2-NH1 2.94Å; D21-R65 PolarHBondContact OD2-NH1 3.22Å; D21-R65 IonicContact OD2-NH2 3.68Å
22	R	96.6	Very high	92.1	Very high	203 Å²	203	57.7 Å²	57.7	77%	0.766	31%	0.309	S	S	*	.	B	Isolated β-bridge	trans	-61.9	124.3	176	-169.3	179.3	-176.9	-161.2	1.5	110.1	C33	R22-C33 VanDerWaalsContact O-CB 3.28Å; R22-C33 WeakPolarHBondContact O-CB 3.44Å
23	S	96.4	Very high	94	Very high	11 Å²	11	52.7 Å²	52.7	8%	0.077	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-76.6	140.7	175.2	178.3	0	0	0	0	110.6	H14 D21 G25 S32	H14-S23 PolarHBondContact O-N 3.5Å; D21-S23 PolarHBondContact O-N 3.01Å; S23-G25 VanDerWaalsContact C-N 3.34Å; S23-G25 PolarHBondContact OG-N 3.34Å; S23-G25 PolarHBondContact OG-O 3.17Å; S23-S32 WeakPolarHBondContact CA-O 3.19Å; S23-S32 PolarHBondContact OG-N 3.35Å; S23-S32 PolarHBondContact OG-O 3.28Å
24	S	95.2	Very high	95.7	Very high	66 Å²	66	51.7 Å²	51.7	46%	0.462	28%	0.276	S	S	.	.			trans	-92.6	4.4	170.1	52.2	0	0	0	0	112.7	H27 S32 E34	S24-H27 PolarHBondContact OG-NE2 3.37Å; S24-S32 PolarHBondContact N-O 3.29Å; S24-S32 VanDerWaalsContact N-O 3.09Å; S24-E34 WeakPolarHBondContact CB-OE1 3.42Å; S24-E34 PolarHBondContact OG-OE1 3.01Å
25	G	93.4	Very high	96.4	Very high	22 Å²	22	47.5 Å²	47.5	23%	0.227	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	125.3	-166.6	-175.3	0	0	0	0	0	112.8	S23 Y31 S32	S23-G25 VanDerWaalsContact C-N 3.34Å; S23-G25 PolarHBondContact OG-N 3.34Å; S23-G25 PolarHBondContact OG-O 3.17Å; G25-Y31 WeakPolarHBondContact O-CA 3.13Å; G25-S32 PolarHBondContact O-N 3.43Å
26	K	94.8	Very high	96.5	Very high	138 Å²	138	43.4 Å²	43.4	60%	0.6	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.1	-178.1	-164.9	177.1	-173.3	179.2	0	109.9	G29 V30	K26-G29 WeakPolarHBondContact CE-O 3.46Å; K26-V30 WeakPolarHBondContact CA-O 3.4Å
27	H	95.6	Very high	96.6	Very high	30 Å²	30	45.9 Å²	45.9	14%	0.139	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.5	174	-54	-69.7	0	0	0	109.2	S24 G29 V30 S32 E34 K37	S24-H27 PolarHBondContact OG-NE2 3.37Å; H27-G29 PolarHBondContact O-N 3.05Å; H27-G29 VanDerWaalsContact O-N 3.12Å; H27-V30 PolarHBondContact N-O 2.91Å; H27-V30 PolarHBondContact O-N 2.78Å; H27-V30 VanDerWaalsContact O-O 3.04Å; H27-S32 WeakPolarHBondContact CB-OG 3.12Å; H27-S32 PolarHBondContact CD2-OG 3.31Å; H27-E34 IonicContact CE1-OE1 3.61Å; H27-E34 IonicContact NE2-OE1 3.37Å; H27-E34 PolarHBondContact NE2-OE1 3.01Å; H27-K37 HydrophobicContact CB-CB 4.03Å; H27-K37 HydrophobicContact CB-CD 4.33Å; H27-K37 HydrophobicContact CB-CG 3.83Å; H27-K37 WeakPolarHBondContact ND1-CD 3.37Å; H27-K37 WeakPolarHBondContact ND1-CE 3.31Å
28	Y	96.3	Very high	96.6	Very high	37 Å²	37	44.5 Å²	44.5	15%	0.145	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	33.5	180	-47.1	-60.3	0	0	0	113.8	K37 F40 K41 M81 K82 A85 V86	Y28-K37 HydrophobicContact CE2-CG 3.87Å; Y28-F40 HydrophobicContact CD2-CB 4.41Å; Y28-F40 AromaticContact CD2-CD1 3.62Å; Y28-F40 HydrophobicContact CD2-CD1 3.62Å; Y28-F40 HydrophobicContact CD2-CE1 4.36Å; Y28-F40 HydrophobicContact CD2-CG 4.38Å; Y28-F40 HydrophobicContact CE2-CD1 4.16Å; Y28-F40 AromaticContact CG-CD1 3.9Å; Y28-F40 HydrophobicContact CG-CD1 3.9Å; Y28-F40 HydrophobicContact CG-CE1 4.19Å; Y28-K41 HydrophobicContact CE2-CB 4.33Å; Y28-K41 WeakPolarHBondContact OH-CB 3.48Å; Y28-K41 WeakPolarHBondContact OH-CG 3.34Å; Y28-M81 CarbonylContact O-C 3.39Å; Y28-M81 WeakPolarHBondContact O-CA 3.4Å; Y28-K82 PolarHBondContact O-N 3Å; Y28-A85 HydrophobicContact CD1-CB 3.93Å; Y28-V86 HydrophobicContact CD1-CG2 3.69Å; Y28-V86 HydrophobicContact CE1-CB 4.2Å; Y28-V86 HydrophobicContact CE1-CG2 3.56Å; Y28-V86 HydrophobicContact CE2-CG2 4.5Å; Y28-V86 HydrophobicContact CG-CG2 4.25Å
29	G	94.1	Very high	96.6	Very high	37 Å²	37	44.8 Å²	44.8	38%	0.381	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.7	-10	179.2	0	0	0	0	0	115.7	K26 H27	K26-G29 WeakPolarHBondContact CE-O 3.46Å; H27-G29 PolarHBondContact O-N 3.05Å; H27-G29 VanDerWaalsContact O-N 3.12Å
30	V	96.1	Very high	96.6	Very high	13 Å²	13	44.5 Å²	44.5	8%	0.079	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.2	-172.6	-173.2	0	0	0	0	112.1	A17 I18 K26 H27 S32 M79 G80 M81	A17-V30 HydrophobicContact CB-CG1 3.74Å; I18-V30 HydrophobicContact CD1-CG1 4.21Å; K26-V30 WeakPolarHBondContact CA-O 3.4Å; H27-V30 PolarHBondContact N-O 2.91Å; H27-V30 PolarHBondContact O-N 2.78Å; H27-V30 VanDerWaalsContact O-O 3.04Å; V30-S32 PolarHBondContact O-N 3.3Å; V30-S32 VanDerWaalsContact O-N 3.17Å; V30-M79 HydrophobicContact CG1-CB 4.37Å; V30-M79 WeakPolarHBondContact CG2-O 3.3Å; V30-G80 WeakPolarHBondContact CG2-O 3.2Å; V30-M81 HydrophobicContact CB-CG 4.06Å; V30-M81 HydrophobicContact CG2-CG 3.87Å
31	Y	97	Very high	96.7	Very high	93 Å²	93	45.6 Å²	45.6	37%	0.365	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	114.1	169.8	-74.4	-83	0	0	0	110.5	K13 A17 G25	K13-Y31 HydrophobicContact CB-CE1 4.41Å; K13-Y31 WeakPolarHBondContact O-CD1 3.45Å; A17-Y31 PolarHBondContact N-O 3.47Å; G25-Y31 WeakPolarHBondContact O-CA 3.13Å
32	S	97.4	Very high	96.6	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	162.3	-176.2	59.7	0	0	0	0	112.4	S23 S24 G25 H27 V30 M81	S23-S32 WeakPolarHBondContact CA-O 3.19Å; S23-S32 PolarHBondContact OG-N 3.35Å; S23-S32 PolarHBondContact OG-O 3.28Å; S24-S32 PolarHBondContact N-O 3.29Å; S24-S32 VanDerWaalsContact N-O 3.09Å; G25-S32 PolarHBondContact O-N 3.43Å; H27-S32 WeakPolarHBondContact CB-OG 3.12Å; H27-S32 PolarHBondContact CD2-OG 3.31Å; V30-S32 PolarHBondContact O-N 3.3Å; V30-S32 VanDerWaalsContact O-N 3.17Å; S32-M81 WeakPolarHBondContact OG-CE 3.44Å
33	C	97.9	Very high	96.6	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.027	22%	0.216	C	C	.	.			trans	-83.2	161.4	171.6	69.3	0	0	0	0	110.6	C16 C19 D21 R22 G35 C36 K37 R65	C16-C33 HydrophobicContact CB-CB 3.99Å; C16-C33 PolarHBondContact SG-N 3.32Å; C16-C33 VanDerWaalsContact SG-SG 3.67Å; C19-C33 VanDerWaalsContact SG-SG 3.67Å; D21-C33 HydrophobicContact CB-CB 4.14Å; R22-C33 VanDerWaalsContact O-CB 3.28Å; R22-C33 WeakPolarHBondContact O-CB 3.44Å; C33-G35 PolarHBondContact O-N 3.35Å; C33-G35 VanDerWaalsContact O-N 3.12Å; C33-C36 PolarHBondContact O-N 3.4Å; C33-C36 VanDerWaalsContact O-N 3.12Å; C33-C36 PolarHBondContact SG-N 3.4Å; C33-C36 VanDerWaalsContact SG-N 3.4Å; C33-K37 PolarHBondContact O-N 3.11Å; C33-R65 PolarHBondContact SG-NH1 2.86Å
34	E	97.7	Very high	96.5	Very high	99 Å²	99	42.6 Å²	42.6	46%	0.463	22%	0.221	S	C	.	.	H	α-helix	trans	-55.6	-31.9	176.5	-68.7	-57.3	126.2	0	0	112.9	S24 H27 K37 G38	S24-E34 WeakPolarHBondContact CB-OE1 3.42Å; S24-E34 PolarHBondContact OG-OE1 3.01Å; H27-E34 IonicContact CE1-OE1 3.61Å; H27-E34 IonicContact NE2-OE1 3.37Å; H27-E34 PolarHBondContact NE2-OE1 3.01Å; E34-K37 IonicContact OE1-NZ 2.72Å; E34-K37 PolarHBondContact OE1-NZ 2.81Å; E34-K37 WeakPolarHBondContact OE2-CD 3.48Å; E34-K37 IonicContact OE2-NZ 3.39Å; E34-K37 PolarHBondContact OE2-NZ 3.04Å; E34-G38 PolarHBondContact O-N 3.28Å
35	G	97.9	Very high	96.3	Very high	27 Å²	27	43.8 Å²	43.8	28%	0.278	22%	0.215	S	C	.	.	H	α-helix	trans	-64.6	-44.3	177.3	0	0	0	0	0	113.6	C33 F39 R72	C33-G35 PolarHBondContact O-N 3.35Å; C33-G35 VanDerWaalsContact O-N 3.12Å; G35-F39 VanDerWaalsContact O-CB 3.26Å; G35-F39 WeakPolarHBondContact O-CB 3.36Å; G35-F39 PolarHBondContact O-N 2.96Å; G35-F39 VanDerWaalsContact O-N 3.08Å; G35-R72 VanDerWaalsContact C-NH2 3.33Å; G35-R72 PolarHBondContact O-NH2 3.47Å; G35-R72 VanDerWaalsContact O-NH2 3.17Å
36	C	98.4	Very high	96.1	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-78	-34.8	178.8	-67.5	0	0	0	0	112.1	I18 C19 C33 F39 F40 R72	I18-C36 HydrophobicContact CB-CB 4.25Å; I18-C36 HydrophobicContact CG1-CB 4.48Å; I18-C36 HydrophobicContact CG2-CB 4.38Å; I18-C36 VanDerWaalsContact CG2-SG 3.6Å; C19-C36 VanDerWaalsContact SG-SG 3.65Å; C33-C36 PolarHBondContact O-N 3.4Å; C33-C36 VanDerWaalsContact O-N 3.12Å; C33-C36 PolarHBondContact SG-N 3.4Å; C33-C36 VanDerWaalsContact SG-N 3.4Å; C36-F39 PolarHBondContact O-N 3.17Å; C36-F40 WeakPolarHBondContact O-CB 3.41Å; C36-F40 PolarHBondContact O-N 3.04Å; C36-R72 PolarHBondContact SG-NH2 2.69Å
37	K	97.9	Very high	95.9	Very high	55 Å²	55	49.2 Å²	49.2	24%	0.239	24%	0.239	C	C	.	.	H	α-helix	trans	-55.6	-55.7	169	172.7	-160.1	-174.5	-178.8	0	111.2	H27 Y28 C33 E34 F39 F40 K41	H27-K37 HydrophobicContact CB-CB 4.03Å; H27-K37 HydrophobicContact CB-CD 4.33Å; H27-K37 HydrophobicContact CB-CG 3.83Å; H27-K37 WeakPolarHBondContact ND1-CD 3.37Å; H27-K37 WeakPolarHBondContact ND1-CE 3.31Å; Y28-K37 HydrophobicContact CE2-CG 3.87Å; C33-K37 PolarHBondContact O-N 3.11Å; E34-K37 IonicContact OE1-NZ 2.72Å; E34-K37 PolarHBondContact OE1-NZ 2.81Å; E34-K37 WeakPolarHBondContact OE2-CD 3.48Å; E34-K37 IonicContact OE2-NZ 3.39Å; E34-K37 PolarHBondContact OE2-NZ 3.04Å; K37-F39 VanDerWaalsContact C-N 3.33Å; K37-F39 PolarHBondContact O-N 3.23Å; K37-F40 PolarHBondContact O-N 3.05Å; K37-K41 WeakPolarHBondContact O-CB 3.24Å; K37-K41 PolarHBondContact O-N 3.21Å
38	G	97.4	Very high	95.8	Very high	16 Å²	16	51 Å²	51	17%	0.165	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-36.7	-178.4	0	0	0	0	0	113	E34 R42	E34-G38 PolarHBondContact O-N 3.28Å; G38-R42 WeakPolarHBondContact O-CG 3.34Å; G38-R42 PolarHBondContact O-N 2.61Å; G38-R42 VanDerWaalsContact O-N 3.11Å; G38-R42 PolarHBondContact O-NH1 3.47Å
39	F	98.4	Very high	95.6	Very high	7 Å²	7	56.5 Å²	56.5	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-59.5	-56.1	172.7	172.9	-102.2	0	0	0	111.2	G35 C36 K37 K41 R42 T43 Y50 Q69 R72 Y73	G35-F39 VanDerWaalsContact O-CB 3.26Å; G35-F39 WeakPolarHBondContact O-CB 3.36Å; G35-F39 PolarHBondContact O-N 2.96Å; G35-F39 VanDerWaalsContact O-N 3.08Å; C36-F39 PolarHBondContact O-N 3.17Å; K37-F39 VanDerWaalsContact C-N 3.33Å; K37-F39 PolarHBondContact O-N 3.23Å; F39-K41 VanDerWaalsContact C-N 3.34Å; F39-K41 PolarHBondContact O-N 3.28Å; F39-R42 PolarHBondContact O-N 2.84Å; F39-R42 VanDerWaalsContact O-N 3.16Å; F39-T43 PolarHBondContact O-N 2.94Å; F39-T43 PolarHBondContact O-OG1 3.4Å; F39-Y50 AromaticContact CE2-CE2 3.91Å; F39-Y50 HydrophobicContact CE2-CE2 3.91Å; F39-Y50 HydrophobicContact CZ-CD2 4.31Å; F39-Y50 AromaticContact CZ-CE2 3.63Å; F39-Y50 HydrophobicContact CZ-CE2 3.63Å; F39-Q69 HydrophobicContact CE2-CB 4.04Å; F39-Q69 HydrophobicContact CE2-CG 4.08Å; F39-Q69 HydrophobicContact CZ-CB 4.14Å; F39-Q69 WeakPolarHBondContact CZ-O 3.42Å; F39-R72 HydrophobicContact CD1-CG 4.02Å; F39-R72 HydrophobicContact CE1-CB 4.01Å; F39-R72 HydrophobicContact CE1-CG 3.8Å; F39-R72 HydrophobicContact CZ-CB 4.18Å; F39-R72 HydrophobicContact CZ-CG 4.33Å; F39-Y73 HydrophobicContact CE1-CD2 4.36Å
40	F	98	Very high	95.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.8	-45.2	-179.7	-168.9	-98.1	0	0	0	112	Y28 C36 K37 R42 T43 I44 Y73 C76 L77 M81 K82 R83 V86	Y28-F40 HydrophobicContact CD2-CB 4.41Å; Y28-F40 AromaticContact CD2-CD1 3.62Å; Y28-F40 HydrophobicContact CD2-CD1 3.62Å; Y28-F40 HydrophobicContact CD2-CE1 4.36Å; Y28-F40 HydrophobicContact CD2-CG 4.38Å; Y28-F40 HydrophobicContact CE2-CD1 4.16Å; Y28-F40 AromaticContact CG-CD1 3.9Å; Y28-F40 HydrophobicContact CG-CD1 3.9Å; Y28-F40 HydrophobicContact CG-CE1 4.19Å; C36-F40 WeakPolarHBondContact O-CB 3.41Å; C36-F40 PolarHBondContact O-N 3.04Å; K37-F40 PolarHBondContact O-N 3.05Å; F40-R42 PolarHBondContact O-N 3.25Å; F40-T43 PolarHBondContact O-N 3.08Å; F40-I44 HydrophobicContact CD1-CG1 4.18Å; F40-I44 HydrophobicContact CE1-CG1 3.91Å; F40-I44 HydrophobicContact CZ-CD1 4.29Å; F40-I44 HydrophobicContact CZ-CG1 4.16Å; F40-I44 WeakPolarHBondContact O-CG1 3.38Å; F40-I44 PolarHBondContact O-N 3.28Å; F40-Y73 HydrophobicContact CD2-CD2 4.03Å; F40-Y73 AromaticContact CD2-CE2 3.78Å; F40-Y73 HydrophobicContact CD2-CE2 3.78Å; F40-Y73 HydrophobicContact CE2-CD2 4.25Å; F40-Y73 AromaticContact CE2-CE2 3.66Å; F40-Y73 HydrophobicContact CE2-CE2 3.66Å; F40-C76 HydrophobicContact CD2-CB 3.6Å; F40-C76 HydrophobicContact CE2-CB 4Å; F40-L77 HydrophobicContact CE2-CD2 3.89Å; F40-L77 HydrophobicContact CZ-CD2 4.26Å; F40-M81 HydrophobicContact CB-SD 3.91Å; F40-M81 HydrophobicContact CD1-CB 4.34Å; F40-M81 HydrophobicContact CD1-SD 4.35Å; F40-M81 HydrophobicContact CD2-CB 3.96Å; F40-M81 HydrophobicContact CD2-SD 3.86Å; F40-M81 HydrophobicContact CE1-CB 4Å; F40-M81 HydrophobicContact CE2-CB 3.59Å; F40-M81 HydrophobicContact CE2-SD 4.46Å; F40-M81 HydrophobicContact CG-CB 4.31Å; F40-M81 HydrophobicContact CG-SD 3.78Å; F40-M81 HydrophobicContact CZ-CB 3.61Å; F40-M81 WeakPolarHBondContact CZ-O 3.34Å; F40-K82 WeakPolarHBondContact CE1-O 3.29Å; F40-R83 HydrophobicContact CZ-CG 4.13Å; F40-V86 HydrophobicContact CD1-CG2 3.85Å; F40-V86 HydrophobicContact CE1-CG2 3.8Å
41	K	96.6	Very high	95.6	Very high	73 Å²	73	61.7 Å²	61.7	32%	0.317	30%	0.3	S	S	.	.	H	α-helix	trans	-54.6	-48.3	175.6	-168.4	-168	-157.9	-151.5	0	112.7	Y28 K37 F39 R45 V86	Y28-K41 HydrophobicContact CE2-CB 4.33Å; Y28-K41 WeakPolarHBondContact OH-CB 3.48Å; Y28-K41 WeakPolarHBondContact OH-CG 3.34Å; K37-K41 WeakPolarHBondContact O-CB 3.24Å; K37-K41 PolarHBondContact O-N 3.21Å; F39-K41 VanDerWaalsContact C-N 3.34Å; F39-K41 PolarHBondContact O-N 3.28Å; K41-R45 VanDerWaalsContact CE-NH2 3.34Å; K41-R45 WeakPolarHBondContact O-CB 3.34Å; K41-R45 WeakPolarHBondContact O-CG 3.26Å; K41-R45 PolarHBondContact O-N 3.35Å; K41-V86 HydrophobicContact CG-CG1 4.15Å
42	R	96.3	Very high	95.5	Very high	140 Å²	140	58 Å²	58	53%	0.528	29%	0.288	S	S	.	.	H	α-helix	trans	-69.7	-38.7	-179	-74	-172.5	-59.7	-88.9	0.8	111.9	G38 F39 F40 I44 K46	G38-R42 WeakPolarHBondContact O-CG 3.34Å; G38-R42 PolarHBondContact O-N 2.61Å; G38-R42 VanDerWaalsContact O-N 3.11Å; G38-R42 PolarHBondContact O-NH1 3.47Å; F39-R42 PolarHBondContact O-N 2.84Å; F39-R42 VanDerWaalsContact O-N 3.16Å; F40-R42 PolarHBondContact O-N 3.25Å; R42-I44 VanDerWaalsContact C-N 3.34Å; R42-K46 WeakPolarHBondContact O-CB 3.3Å; R42-K46 PolarHBondContact O-N 2.83Å
43	T	96.3	Very high	95.5	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.012	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-46.8	176	-56.1	0	0	0	0	110.9	F39 F40 D47 L48 Y50 Y73	F39-T43 PolarHBondContact O-N 2.94Å; F39-T43 PolarHBondContact O-OG1 3.4Å; F40-T43 PolarHBondContact O-N 3.08Å; T43-D47 PolarHBondContact O-N 2.89Å; T43-L48 HydrophobicContact CG2-CB 4.42Å; T43-L48 PolarHBondContact O-N 2.86Å; T43-Y50 HydrophobicContact CG2-CD2 4.32Å; T43-Y50 HydrophobicContact CG2-CE2 3.49Å; T43-Y50 VanDerWaalsContact CG2-CE2 3.49Å; T43-Y50 WeakPolarHBondContact OG1-CE2 3.46Å; T43-Y50 PolarHBondContact OG1-OH 3.44Å; T43-Y73 HydrophobicContact CG2-CD1 4.15Å; T43-Y73 HydrophobicContact CG2-CD2 3.67Å; T43-Y73 HydrophobicContact CG2-CE1 4.02Å; T43-Y73 HydrophobicContact CG2-CE2 3.55Å; T43-Y73 HydrophobicContact CG2-CG 3.96Å
44	I	94.8	Very high	95.3	Very high	36 Å²	36	73.9 Å²	73.9	19%	0.185	35%	0.354	C	S	.	.	H	α-helix	trans	-70.1	-46.7	179.7	-60.3	-58.7	0	0	0	112.1	F40 R42 K46 D47 Y73 R83 V86	F40-I44 HydrophobicContact CD1-CG1 4.18Å; F40-I44 HydrophobicContact CE1-CG1 3.91Å; F40-I44 HydrophobicContact CZ-CD1 4.29Å; F40-I44 HydrophobicContact CZ-CG1 4.16Å; F40-I44 WeakPolarHBondContact O-CG1 3.38Å; F40-I44 PolarHBondContact O-N 3.28Å; R42-I44 VanDerWaalsContact C-N 3.34Å; I44-K46 VanDerWaalsContact C-N 3.3Å; I44-K46 PolarHBondContact O-N 3.11Å; I44-D47 PolarHBondContact O-N 3.34Å; I44-Y73 HydrophobicContact CD1-CE2 4.17Å; I44-Y73 WeakPolarHBondContact CD1-OH 3.42Å; I44-R83 HydrophobicContact CD1-CB 3.94Å; I44-R83 HydrophobicContact CD1-CG 3.64Å; I44-V86 HydrophobicContact CB-CB 4.21Å; I44-V86 HydrophobicContact CB-CG1 4.19Å; I44-V86 HydrophobicContact CB-CG2 4.06Å; I44-V86 HydrophobicContact CG1-CG2 3.99Å; I44-V86 HydrophobicContact CG2-CB 3.89Å; I44-V86 HydrophobicContact CG2-CG1 4.11Å; I44-V86 HydrophobicContact CG2-CG2 4.17Å
45	R	89.4	Confident	95.2	Very high	91 Å²	91	76.5 Å²	76.5	34%	0.343	37%	0.371	S	S	.	.	H	α-helix	trans	-66.9	-29.2	-174.7	-76.7	-174.3	176.7	-176.9	-9.3	115.3	K41 V86 Q87	K41-R45 VanDerWaalsContact CE-NH2 3.34Å; K41-R45 WeakPolarHBondContact O-CB 3.34Å; K41-R45 WeakPolarHBondContact O-CG 3.26Å; K41-R45 PolarHBondContact O-N 3.35Å; R45-V86 HydrophobicContact CG-CG1 3.96Å; R45-Q87 PolarHBondContact NE-O 2.95Å; R45-Q87 VanDerWaalsContact NE-O 3.13Å; R45-Q87 PolarHBondContact NH2-O 3.19Å
46	K	90.4	Very high	95.1	Very high	153 Å²	153	81.8 Å²	81.8	67%	0.665	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	12.3	-179.6	-65.5	-172.4	174.5	-158.9	0	111.8	R42 I44 L48	R42-K46 WeakPolarHBondContact O-CB 3.3Å; R42-K46 PolarHBondContact O-N 2.83Å; I44-K46 VanDerWaalsContact C-N 3.3Å; I44-K46 PolarHBondContact O-N 3.11Å; K46-L48 HydrophobicContact CB-CD1 4.13Å; K46-L48 HydrophobicContact CB-CD2 3.85Å; K46-L48 HydrophobicContact CB-CG 3.68Å; K46-L48 PolarHBondContact O-N 2.81Å; K46-L48 VanDerWaalsContact O-N 3.07Å
47	D	89.1	Confident	95	Very high	121 Å²	121	88.6 Å²	88.6	65%	0.647	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.9	49.7	-173.2	-160.9	32.3	0	0	0	113.7	T43 I44 I49	T43-D47 PolarHBondContact O-N 2.89Å; I44-D47 PolarHBondContact O-N 3.34Å; D47-I49 PolarHBondContact O-N 3.14Å
48	L	94	Very high	94.9	Very high	68 Å²	68	86.9 Å²	86.9	36%	0.356	42%	0.418	S	S	.	.			trans	-77.1	124.7	-171.6	-62.2	174.7	0	0	0	110.8	T43 K46 Y50	T43-L48 HydrophobicContact CG2-CB 4.42Å; T43-L48 PolarHBondContact O-N 2.86Å; K46-L48 HydrophobicContact CB-CD1 4.13Å; K46-L48 HydrophobicContact CB-CD2 3.85Å; K46-L48 HydrophobicContact CB-CG 3.68Å; K46-L48 PolarHBondContact O-N 2.81Å; K46-L48 VanDerWaalsContact O-N 3.07Å; L48-Y50 HydrophobicContact CB-CE1 3.89Å; L48-Y50 HydrophobicContact CB-CE2 4.5Å; L48-Y50 HydrophobicContact CD1-CE1 4.3Å; L48-Y50 VanDerWaalsContact CD1-OH 3.29Å; L48-Y50 WeakPolarHBondContact CD1-OH 3.48Å
49	I	91.9	Very high	94.9	Very high	152 Å²	152	91.6 Å²	91.6	78%	0.779	44%	0.438	S	S	*	.			trans	-96	128.3	171.9	-54.4	176.4	0	0	0	108.7	D47	D47-I49 PolarHBondContact O-N 3.14Å
50	Y	95.7	Very high	94.9	Very high	34 Å²	34	91.6 Å²	91.6	13%	0.133	44%	0.438	C	S	.	.			trans	-112.5	150.9	178.7	-56.6	-54.4	0	0	0	111.1	F39 T43 L48 Q69 Y70	F39-Y50 AromaticContact CE2-CE2 3.91Å; F39-Y50 HydrophobicContact CE2-CE2 3.91Å; F39-Y50 HydrophobicContact CZ-CD2 4.31Å; F39-Y50 AromaticContact CZ-CE2 3.63Å; F39-Y50 HydrophobicContact CZ-CE2 3.63Å; T43-Y50 HydrophobicContact CG2-CD2 4.32Å; T43-Y50 HydrophobicContact CG2-CE2 3.49Å; T43-Y50 VanDerWaalsContact CG2-CE2 3.49Å; T43-Y50 WeakPolarHBondContact OG1-CE2 3.46Å; T43-Y50 PolarHBondContact OG1-OH 3.44Å; L48-Y50 HydrophobicContact CB-CE1 3.89Å; L48-Y50 HydrophobicContact CB-CE2 4.5Å; L48-Y50 HydrophobicContact CD1-CE1 4.3Å; L48-Y50 VanDerWaalsContact CD1-OH 3.29Å; L48-Y50 WeakPolarHBondContact CD1-OH 3.48Å; Y50-Q69 HydrophobicContact CD1-CB 3.74Å; Y50-Q69 HydrophobicContact CD2-CB 3.85Å; Y50-Q69 HydrophobicContact CE1-CB 3.99Å; Y50-Q69 HydrophobicContact CE1-CG 4.46Å; Y50-Q69 HydrophobicContact CE2-CB 4.07Å; Y50-Q69 HydrophobicContact CG-CB 3.68Å; Y50-Y70 VanDerWaalsContact O-CD2 3.25Å; Y50-Y70 WeakPolarHBondContact O-CD2 3.41Å
51	T	94.7	Very high	94.8	Very high	125 Å²	125	93.7 Å²	93.7	77%	0.767	45%	0.45	S	S	*	.			trans	-120	131.5	173.9	-55.2	0	0	0	0	109.8
52	C	96.4	Very high	94.8	Very high	15 Å²	15	96.2 Å²	96.2	10%	0.101	46%	0.461	C	S	.	.			trans	-77.3	137.2	170.9	-167.8	0	0	0	0	109.5	D54 K56 C58 C68 Y70 C71	C52-D54 PolarHBondContact SG-N 2.82Å; C52-D54 VanDerWaalsContact SG-N 3.42Å; C52-K56 HydrophobicContact CB-CG 3.83Å; C52-K56 PolarHBondContact SG-N 3.07Å; C52-C58 VanDerWaalsContact SG-SG 3.68Å; C52-C68 VanDerWaalsContact SG-SG 3.64Å; C52-Y70 HydrophobicContact CB-CD1 3.59Å; C52-Y70 HydrophobicContact CB-CE1 4.28Å; C52-Y70 HydrophobicContact CB-CG 3.93Å; C52-C71 VanDerWaalsContact SG-SG 3.69Å
53	R	95.5	Very high	94.8	Very high	245 Å²	245	101.1 Å²	101.1	93%	0.925	48%	0.479	S	S	*	.	S	Bend	trans	-93.5	-6	174.6	-63	-176	-179.7	-179.3	-1.6	113.6
54	D	94.5	Very high	94.7	Very high	92 Å²	92	104 Å²	104	49%	0.492	49%	0.492	S	S	.	.	S	Bend	trans	-114.7	-152.7	177	-55.1	-44.5	0	0	0	109.3	C52 K56	C52-D54 PolarHBondContact SG-N 2.82Å; C52-D54 VanDerWaalsContact SG-N 3.42Å; D54-K56 VanDerWaalsContact C-N 3.3Å; D54-K56 PolarHBondContact O-N 3.47Å
55	N	95.3	Very high	94.8	Very high	154 Å²	154	104.2 Å²	104.2	82%	0.824	49%	0.491	S	S	*	.	S	Bend	trans	-87.9	24.4	-174.1	-61.3	-25.7	0	0	0	114.8	D57	N55-D57 PolarHBondContact O-N 2.85Å; N55-D57 VanDerWaalsContact O-N 3.1Å
56	K	95.8	Very high	95.2	Very high	138 Å²	138	105.7 Å²	105.7	60%	0.6	51%	0.506	S	S	*	.	S	Bend	trans	60	16.5	-176.7	-59.7	177.8	175.8	177.1	0	115.1	C52 D54 Y70 C71	C52-K56 HydrophobicContact CB-CG 3.83Å; C52-K56 PolarHBondContact SG-N 3.07Å; D54-K56 VanDerWaalsContact C-N 3.3Å; D54-K56 PolarHBondContact O-N 3.47Å; K56-Y70 HydrophobicContact CB-CD1 4.45Å; K56-Y70 HydrophobicContact CB-CE1 3.8Å; K56-Y70 HydrophobicContact CD-CE1 3.77Å; K56-Y70 HydrophobicContact CG-CD1 4.16Å; K56-Y70 HydrophobicContact CG-CE1 3.51Å; K56-C71 VanDerWaalsContact C-SG 3.52Å
57	D	96.3	Very high	95.5	Very high	143 Å²	143	107.4 Å²	107.4	77%	0.765	51%	0.508	S	S	*	.			trans	-121.2	53.6	177.2	171.7	22.7	0	0	0	110.1	N55	N55-D57 PolarHBondContact O-N 2.85Å; N55-D57 VanDerWaalsContact O-N 3.1Å
58	C	97.3	Very high	95.9	Very high	20 Å²	20	102.1 Å²	102.1	14%	0.135	48%	0.48	C	S	.	.			trans	-85.1	128	176.9	-53	0	0	0	0	109.3	C52 I60 C68 C71	C52-C58 VanDerWaalsContact SG-SG 3.68Å; C58-I60 WeakPolarHBondContact O-CG1 3.44Å; C58-I60 PolarHBondContact O-N 3.44Å; C58-C68 HydrophobicContact CB-CB 3.76Å; C58-C68 VanDerWaalsContact SG-CB 3.55Å; C58-C68 VanDerWaalsContact SG-SG 3.66Å; C58-C71 HydrophobicContact CB-CB 3.71Å; C58-C71 PolarHBondContact N-SG 3.3Å; C58-C71 PolarHBondContact SG-SG 2.95Å
59	L	96.5	Very high	96.1	Very high	114 Å²	114	103.7 Å²	103.7	60%	0.597	49%	0.486	S	S	*	.			trans	-61.2	126.1	175	-175.1	65.4	0	0	0	111.2	Q64	L59-Q64 WeakPolarHBondContact O-CG 3.29Å
60	I	98.1	Very high	96.4	Very high	7 Å²	7	98.9 Å²	98.9	4%	0.036	46%	0.458	C	S	.	.			trans	-109	100.2	178	-51.2	-57.7	0	0	0	109.8	I18 C19 C58 R65 C71 R72 K75	I18-I60 HydrophobicContact CG2-CG2 4.03Å; I18-I60 WeakPolarHBondContact O-CG2 3.42Å; C19-I60 HydrophobicContact CB-CG2 4.12Å; C58-I60 WeakPolarHBondContact O-CG1 3.44Å; C58-I60 PolarHBondContact O-N 3.44Å; I60-R65 HydrophobicContact CG2-CB 3.88Å; I60-C71 HydrophobicContact CD1-CB 4.06Å; I60-R72 HydrophobicContact CD1-CB 3.97Å; I60-R72 HydrophobicContact CG2-CG 4.2Å; I60-K75 HydrophobicContact CB-CD 3.67Å; I60-K75 HydrophobicContact CG1-CB 4.45Å; I60-K75 HydrophobicContact CG1-CD 3.92Å; I60-K75 HydrophobicContact CG2-CD 4.17Å; I60-K75 PolarHBondContact O-NZ 3.14Å; I60-K75 VanDerWaalsContact O-NZ 3.11Å
61	D	97.1	Very high	96.6	Very high	44 Å²	44	97.6 Å²	97.6	24%	0.235	46%	0.455	C	S	.	.			trans	-126.4	176.2	173.5	68.6	45.4	0	0	0	111.7	C19 R63 Q64 R65	C19-D61 CarbonylContact O-C 3.59Å; C19-D61 VanDerWaalsContact O-C 3.29Å; C19-D61 WeakPolarHBondContact O-CA 3.28Å; D61-R63 PolarHBondContact O-N 3.26Å; D61-R63 WeakPolarHBondContact OD1-CA 3.45Å; D61-R63 WeakPolarHBondContact OD1-CB 3.5Å; D61-R63 PolarHBondContact OD1-N 2.94Å; D61-Q64 PolarHBondContact O-N 3.07Å; D61-Q64 PolarHBondContact OD1-N 2.96Å; D61-Q64 PolarHBondContact OD2-NE2 3.16Å; D61-R65 WeakPolarHBondContact O-CA 3.33Å; D61-R65 WeakPolarHBondContact O-CB 3.45Å; D61-R65 PolarHBondContact O-N 2.67Å
62	K	96	Very high	96.7	Very high	127 Å²	127	92.1 Å²	92.1	55%	0.552	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-35.3	-178.3	179.7	175	-179.6	155.7	0	113.4	C19 D21	C19-K62 PolarHBondContact O-N 3.32Å; D21-K62 HydrophobicContact CB-CB 4.34Å; D21-K62 HydrophobicContact CB-CD 4.19Å; D21-K62 HydrophobicContact CB-CG 4.17Å; D21-K62 WeakPolarHBondContact OD1-CD 3.47Å; D21-K62 WeakPolarHBondContact OD1-CE 3.37Å; D21-K62 IonicContact OD1-NZ 2.8Å; D21-K62 PolarHBondContact OD1-NZ 3.25Å
63	R	95.9	Very high	96.8	Very high	242 Å²	242	92.2 Å²	92.2	91%	0.913	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-41.7	-174.3	-62.7	-178.9	179.5	-176.4	-0.1	111.4	D61	D61-R63 PolarHBondContact O-N 3.26Å; D61-R63 WeakPolarHBondContact OD1-CA 3.45Å; D61-R63 WeakPolarHBondContact OD1-CB 3.5Å; D61-R63 PolarHBondContact OD1-N 2.94Å
64	Q	95.4	Very high	97	Very high	62 Å²	62	83.9 Å²	83.9	29%	0.29	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	11.6	-171.3	73.8	-169.4	-47.7	0	0	115.6	L59 D61 N66 R67	L59-Q64 WeakPolarHBondContact O-CG 3.29Å; D61-Q64 PolarHBondContact O-N 3.07Å; D61-Q64 PolarHBondContact OD1-N 2.96Å; D61-Q64 PolarHBondContact OD2-NE2 3.16Å; Q64-N66 PolarHBondContact O-N 3.21Å; Q64-R67 VanDerWaalsContact O-CB 3.31Å; Q64-R67 WeakPolarHBondContact O-CB 3.46Å; Q64-R67 PolarHBondContact O-N 3.21Å
65	R	96.9	Very high	97.2	Very high	41 Å²	41	82.6 Å²	82.6	16%	0.155	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-17.3	174.9	61.6	-173.4	-171.1	-160.3	-3.6	115.5	C19 D21 C33 I60 D61 R72	C19-R65 HydrophobicContact CB-CB 4.11Å; C19-R65 PolarHBondContact SG-NH1 2.81Å; D21-R65 IonicContact OD2-CZ 3.74Å; D21-R65 IonicContact OD2-NH1 2.94Å; D21-R65 PolarHBondContact OD2-NH1 3.22Å; D21-R65 IonicContact OD2-NH2 3.68Å; C33-R65 PolarHBondContact SG-NH1 2.86Å; I60-R65 HydrophobicContact CG2-CB 3.88Å; D61-R65 WeakPolarHBondContact O-CA 3.33Å; D61-R65 WeakPolarHBondContact O-CB 3.45Å; D61-R65 PolarHBondContact O-N 2.67Å; R65-R72 VanDerWaalsContact O-CD 3.27Å; R65-R72 WeakPolarHBondContact O-CD 3.06Å; R65-R72 PolarHBondContact O-NH1 3.26Å
66	N	96.9	Very high	97.3	Very high	123 Å²	123	75.2 Å²	75.2	66%	0.658	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-8.2	177.9	-66.3	-23.1	0	0	0	113.7	Q64 C68 R72	Q64-N66 PolarHBondContact O-N 3.21Å; N66-C68 PolarHBondContact O-N 3.47Å; N66-R72 PolarHBondContact OD1-NH1 3.37Å
67	R	96.9	Very high	97.4	Very high	188 Å²	188	71 Å²	71	71%	0.709	32%	0.324	S	S	*	.	S	Bend	trans	-66	-37.1	-176.6	-176.7	174	176.5	166.1	0.8	112.8	Q64	Q64-R67 VanDerWaalsContact O-CB 3.31Å; Q64-R67 WeakPolarHBondContact O-CB 3.46Å; Q64-R67 PolarHBondContact O-N 3.21Å
68	C	97.9	Very high	97.4	Very high	10 Å²	10	69.5 Å²	69.5	7%	0.068	32%	0.32	C	S	.	.			trans	-138	108.5	179.6	-176.8	0	0	0	0	111	C52 C58 N66 C71 R72	C52-C68 VanDerWaalsContact SG-SG 3.64Å; C58-C68 HydrophobicContact CB-CB 3.76Å; C58-C68 VanDerWaalsContact SG-CB 3.55Å; C58-C68 VanDerWaalsContact SG-SG 3.66Å; N66-C68 PolarHBondContact O-N 3.47Å; C68-C71 HydrophobicContact CB-CB 4.28Å; C68-C71 PolarHBondContact SG-N 3.37Å; C68-R72 WeakPolarHBondContact O-CB 3.2Å; C68-R72 PolarHBondContact O-N 3.05Å; C68-R72 VanDerWaalsContact O-N 3.15Å
69	Q	98.1	Very high	97.4	Very high	102 Å²	102	72.4 Å²	72.4	48%	0.477	33%	0.332	S	S	.	.	H	α-helix	trans	-68.2	-36.2	179.4	-65	172.8	-57.7	0	0	111.6	F39 Y50 R72 Y73	F39-Q69 HydrophobicContact CE2-CB 4.04Å; F39-Q69 HydrophobicContact CE2-CG 4.08Å; F39-Q69 HydrophobicContact CZ-CB 4.14Å; F39-Q69 WeakPolarHBondContact CZ-O 3.42Å; Y50-Q69 HydrophobicContact CD1-CB 3.74Å; Y50-Q69 HydrophobicContact CD2-CB 3.85Å; Y50-Q69 HydrophobicContact CE1-CB 3.99Å; Y50-Q69 HydrophobicContact CE1-CG 4.46Å; Y50-Q69 HydrophobicContact CE2-CB 4.07Å; Y50-Q69 HydrophobicContact CG-CB 3.68Å; Q69-R72 PolarHBondContact O-N 3.5Å; Q69-Y73 WeakPolarHBondContact O-CB 3.46Å; Q69-Y73 PolarHBondContact O-N 3.19Å
70	Y	98.4	Very high	97.4	Very high	50 Å²	50	68.8 Å²	68.8	20%	0.196	32%	0.323	C	S	.	.	H	α-helix	trans	-57.3	-59.3	175.9	176	-91.7	0	0	0	111.4	Y50 C52 K56 R72 Y73 Q74	Y50-Y70 VanDerWaalsContact O-CD2 3.25Å; Y50-Y70 WeakPolarHBondContact O-CD2 3.41Å; C52-Y70 HydrophobicContact CB-CD1 3.59Å; C52-Y70 HydrophobicContact CB-CE1 4.28Å; C52-Y70 HydrophobicContact CB-CG 3.93Å; K56-Y70 HydrophobicContact CB-CD1 4.45Å; K56-Y70 HydrophobicContact CB-CE1 3.8Å; K56-Y70 HydrophobicContact CD-CE1 3.77Å; K56-Y70 HydrophobicContact CG-CD1 4.16Å; K56-Y70 HydrophobicContact CG-CE1 3.51Å; Y70-R72 VanDerWaalsContact C-N 3.27Å; Y70-R72 PolarHBondContact O-N 3.2Å; Y70-Y73 PolarHBondContact O-N 3.46Å; Y70-Y73 VanDerWaalsContact O-N 3.1Å; Y70-Q74 HydrophobicContact CD1-CG 4.1Å; Y70-Q74 HydrophobicContact CD2-CG 4.42Å; Y70-Q74 HydrophobicContact CE1-CG 3.7Å; Y70-Q74 HydrophobicContact CE2-CG 4.07Å; Y70-Q74 HydrophobicContact CG-CG 4.46Å; Y70-Q74 WeakPolarHBondContact O-CG 3.45Å; Y70-Q74 PolarHBondContact O-N 2.94Å
71	C	98.3	Very high	97.4	Very high	8 Å²	8	68.7 Å²	68.7	5%	0.054	32%	0.322	C	S	.	.	H	α-helix	trans	-64	-34.3	-177.2	-63.5	0	0	0	0	111.8	C52 K56 C58 I60 C68 K75	C52-C71 VanDerWaalsContact SG-SG 3.69Å; K56-C71 VanDerWaalsContact C-SG 3.52Å; C58-C71 HydrophobicContact CB-CB 3.71Å; C58-C71 PolarHBondContact N-SG 3.3Å; C58-C71 PolarHBondContact SG-SG 2.95Å; I60-C71 HydrophobicContact CD1-CB 4.06Å; C68-C71 HydrophobicContact CB-CB 4.28Å; C68-C71 PolarHBondContact SG-N 3.37Å; C71-K75 WeakPolarHBondContact O-CB 3.37Å; C71-K75 PolarHBondContact O-N 3.44Å
72	R	98.5	Very high	97.3	Very high	9 Å²	9	72 Å²	72	3%	0.034	33%	0.334	C	S	.	.	H	α-helix	trans	-62.8	-45.5	173.7	-169.8	-168.4	-170.3	160.9	-3.6	111.8	I18 G35 C36 F39 I60 R65 N66 C68 Q69 Y70 K75 C76	I18-R72 HydrophobicContact CG2-CG 4.46Å; G35-R72 VanDerWaalsContact C-NH2 3.33Å; G35-R72 PolarHBondContact O-NH2 3.47Å; G35-R72 VanDerWaalsContact O-NH2 3.17Å; C36-R72 PolarHBondContact SG-NH2 2.69Å; F39-R72 HydrophobicContact CD1-CG 4.02Å; F39-R72 HydrophobicContact CE1-CB 4.01Å; F39-R72 HydrophobicContact CE1-CG 3.8Å; F39-R72 HydrophobicContact CZ-CB 4.18Å; F39-R72 HydrophobicContact CZ-CG 4.33Å; I60-R72 HydrophobicContact CD1-CB 3.97Å; I60-R72 HydrophobicContact CG2-CG 4.2Å; R65-R72 VanDerWaalsContact O-CD 3.27Å; R65-R72 WeakPolarHBondContact O-CD 3.06Å; R65-R72 PolarHBondContact O-NH1 3.26Å; N66-R72 PolarHBondContact OD1-NH1 3.37Å; C68-R72 WeakPolarHBondContact O-CB 3.2Å; C68-R72 PolarHBondContact O-N 3.05Å; C68-R72 VanDerWaalsContact O-N 3.15Å; Q69-R72 PolarHBondContact O-N 3.5Å; Y70-R72 VanDerWaalsContact C-N 3.27Å; Y70-R72 PolarHBondContact O-N 3.2Å; R72-K75 PolarHBondContact O-N 3.14Å; R72-C76 PolarHBondContact O-N 3.42Å; R72-C76 PolarHBondContact O-SG 2.99Å
73	Y	98.4	Very high	97.2	Very high	17 Å²	17	71.3 Å²	71.3	7%	0.067	33%	0.328	C	S	.	.	H	α-helix	trans	-67.7	-44	179.7	-178.3	-125.6	0	0	0	112	F39 F40 T43 I44 Q69 Y70 K75 C76 L77 R83	F39-Y73 HydrophobicContact CE1-CD2 4.36Å; F40-Y73 HydrophobicContact CD2-CD2 4.03Å; F40-Y73 AromaticContact CD2-CE2 3.78Å; F40-Y73 HydrophobicContact CD2-CE2 3.78Å; F40-Y73 HydrophobicContact CE2-CD2 4.25Å; F40-Y73 AromaticContact CE2-CE2 3.66Å; F40-Y73 HydrophobicContact CE2-CE2 3.66Å; T43-Y73 HydrophobicContact CG2-CD1 4.15Å; T43-Y73 HydrophobicContact CG2-CD2 3.67Å; T43-Y73 HydrophobicContact CG2-CE1 4.02Å; T43-Y73 HydrophobicContact CG2-CE2 3.55Å; T43-Y73 HydrophobicContact CG2-CG 3.96Å; I44-Y73 HydrophobicContact CD1-CE2 4.17Å; I44-Y73 WeakPolarHBondContact CD1-OH 3.42Å; Q69-Y73 WeakPolarHBondContact O-CB 3.46Å; Q69-Y73 PolarHBondContact O-N 3.19Å; Y70-Y73 PolarHBondContact O-N 3.46Å; Y70-Y73 VanDerWaalsContact O-N 3.1Å; Y73-K75 VanDerWaalsContact C-N 3.29Å; Y73-K75 PolarHBondContact O-N 3.49Å; Y73-C76 VanDerWaalsContact O-CB 3.3Å; Y73-C76 WeakPolarHBondContact O-CB 3.26Å; Y73-C76 PolarHBondContact O-N 3.22Å; Y73-C76 VanDerWaalsContact O-N 3.07Å; Y73-L77 HydrophobicContact CD1-CD1 4.36Å; Y73-L77 HydrophobicContact CE1-CD1 3.98Å; Y73-L77 HydrophobicContact CE2-CD2 4.42Å; Y73-L77 HydrophobicContact CE2-CG 4.42Å; Y73-L77 PolarHBondContact O-N 3.43Å; Y73-L77 VanDerWaalsContact O-N 3.12Å; Y73-R83 PolarHBondContact OH-NE 2.88Å; Y73-R83 VanDerWaalsContact OH-NE 3.16Å; Y73-R83 PolarHBondContact OH-NH1 3.33Å; Y73-R83 VanDerWaalsContact OH-NH1 3.15Å; Y73-R83 PolarHBondContact OH-NH2 3.48Å; Y73-R83 VanDerWaalsContact OH-NH2 3.08Å
74	Q	98.2	Very high	97	Very high	70 Å²	70	66.5 Å²	66.5	33%	0.327	32%	0.316	S	S	.	.	H	α-helix	trans	-57	-44.6	172.7	-67.5	-55.3	-37.5	0	0	111.1	Y70 C76 L77 V78	Y70-Q74 HydrophobicContact CD1-CG 4.1Å; Y70-Q74 HydrophobicContact CD2-CG 4.42Å; Y70-Q74 HydrophobicContact CE1-CG 3.7Å; Y70-Q74 HydrophobicContact CE2-CG 4.07Å; Y70-Q74 HydrophobicContact CG-CG 4.46Å; Y70-Q74 WeakPolarHBondContact O-CG 3.45Å; Y70-Q74 PolarHBondContact O-N 2.94Å; Q74-C76 VanDerWaalsContact C-N 3.32Å; Q74-C76 PolarHBondContact O-N 3Å; Q74-L77 PolarHBondContact O-N 3.48Å; Q74-L77 VanDerWaalsContact O-N 3.1Å; Q74-V78 VanDerWaalsContact O-CG2 3.31Å; Q74-V78 WeakPolarHBondContact O-CG2 3.47Å; Q74-V78 PolarHBondContact O-N 3.44Å
75	K	98.2	Very high	96.7	Very high	65 Å²	65	65.7 Å²	65.7	28%	0.283	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-35.4	175.8	-165.4	172.9	-175.3	-177.6	0	113	I18 I60 C71 R72 Y73 L77 M79	I18-K75 HydrophobicContact CG2-CD 4.48Å; I18-K75 HydrophobicContact CG2-CG 4.48Å; I18-K75 VanDerWaalsContact O-CD 3.25Å; I18-K75 WeakPolarHBondContact O-CD 3.49Å; I18-K75 WeakPolarHBondContact O-CE 3.44Å; I18-K75 PolarHBondContact O-NZ 3.42Å; I60-K75 HydrophobicContact CB-CD 3.67Å; I60-K75 HydrophobicContact CG1-CB 4.45Å; I60-K75 HydrophobicContact CG1-CD 3.92Å; I60-K75 HydrophobicContact CG2-CD 4.17Å; I60-K75 PolarHBondContact O-NZ 3.14Å; I60-K75 VanDerWaalsContact O-NZ 3.11Å; C71-K75 WeakPolarHBondContact O-CB 3.37Å; C71-K75 PolarHBondContact O-N 3.44Å; R72-K75 PolarHBondContact O-N 3.14Å; Y73-K75 VanDerWaalsContact C-N 3.29Å; Y73-K75 PolarHBondContact O-N 3.49Å; K75-L77 VanDerWaalsContact C-N 3.34Å; K75-M79 HydrophobicContact CG-CG 4.26Å; K75-M79 WeakPolarHBondContact O-CB 3.43Å; K75-M79 WeakPolarHBondContact O-CG 3.34Å; K75-M79 PolarHBondContact O-N 3.02Å
76	C	98.2	Very high	96.4	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.7	-46	171.9	-67.7	0	0	0	0	111.6	F40 R72 Y73 Q74 M79 G80 M81	F40-C76 HydrophobicContact CD2-CB 3.6Å; F40-C76 HydrophobicContact CE2-CB 4Å; R72-C76 PolarHBondContact O-N 3.42Å; R72-C76 PolarHBondContact O-SG 2.99Å; Y73-C76 VanDerWaalsContact O-CB 3.3Å; Y73-C76 WeakPolarHBondContact O-CB 3.26Å; Y73-C76 PolarHBondContact O-N 3.22Å; Y73-C76 VanDerWaalsContact O-N 3.07Å; Q74-C76 VanDerWaalsContact C-N 3.32Å; Q74-C76 PolarHBondContact O-N 3Å; C76-M79 PolarHBondContact O-N 3.42Å; C76-G80 PolarHBondContact O-N 2.92Å; C76-M81 HydrophobicContact CB-CB 4.22Å; C76-M81 HydrophobicContact CB-CG 4.21Å; C76-M81 HydrophobicContact CB-SD 3.63Å; C76-M81 VanDerWaalsContact O-CB 3.3Å; C76-M81 WeakPolarHBondContact O-CB 3.49Å; C76-M81 PolarHBondContact O-N 3.13Å
77	L	97.8	Very high	95.7	Very high	49 Å²	49	65.6 Å²	65.6	26%	0.257	32%	0.318	S	S	.	.	H	α-helix	trans	-66.6	-46.5	179.2	-62.6	173.9	0	0	0	111.7	F40 Y73 Q74 K75 M79 G80 R83	F40-L77 HydrophobicContact CE2-CD2 3.89Å; F40-L77 HydrophobicContact CZ-CD2 4.26Å; Y73-L77 HydrophobicContact CD1-CD1 4.36Å; Y73-L77 HydrophobicContact CE1-CD1 3.98Å; Y73-L77 HydrophobicContact CE2-CD2 4.42Å; Y73-L77 HydrophobicContact CE2-CG 4.42Å; Y73-L77 PolarHBondContact O-N 3.43Å; Y73-L77 VanDerWaalsContact O-N 3.12Å; Q74-L77 PolarHBondContact O-N 3.48Å; Q74-L77 VanDerWaalsContact O-N 3.1Å; K75-L77 VanDerWaalsContact C-N 3.34Å; L77-M79 VanDerWaalsContact C-N 3.25Å; L77-M79 PolarHBondContact O-N 3.36Å; L77-G80 WeakPolarHBondContact O-CA 3.24Å; L77-G80 PolarHBondContact O-N 3.39Å; L77-R83 HydrophobicContact CD2-CG 4.07Å
78	V	97.4	Very high	94.6	Very high	111 Å²	111	64.4 Å²	64.4	67%	0.673	32%	0.321	S	S	*	.	H	α-helix	trans	-60.6	-36.1	178.6	174.1	0	0	0	0	111.5	Q74 G80	Q74-V78 VanDerWaalsContact O-CG2 3.31Å; Q74-V78 WeakPolarHBondContact O-CG2 3.47Å; Q74-V78 PolarHBondContact O-N 3.44Å; V78-G80 PolarHBondContact O-N 2.9Å
79	M	97.1	Very high	93.2	Very high	81 Å²	81	70.8 Å²	70.8	40%	0.399	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-2	175	-64	-65.1	97.1	0	0	113.6	A17 V30 K75 C76 L77	A17-M79 HydrophobicContact CB-CB 4.48Å; A17-M79 HydrophobicContact CB-CG 4.4Å; A17-M79 HydrophobicContact CB-SD 4.37Å; V30-M79 HydrophobicContact CG1-CB 4.37Å; V30-M79 WeakPolarHBondContact CG2-O 3.3Å; K75-M79 HydrophobicContact CG-CG 4.26Å; K75-M79 WeakPolarHBondContact O-CB 3.43Å; K75-M79 WeakPolarHBondContact O-CG 3.34Å; K75-M79 PolarHBondContact O-N 3.02Å; C76-M79 PolarHBondContact O-N 3.42Å; L77-M79 VanDerWaalsContact C-N 3.25Å; L77-M79 PolarHBondContact O-N 3.36Å
80	G	96.5	Very high	91.2	Very high	38 Å²	38	76.8 Å²	76.8	39%	0.392	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	22.5	173	0	0	0	0	0	115.5	V30 C76 L77 V78 K82	V30-G80 WeakPolarHBondContact CG2-O 3.2Å; C76-G80 PolarHBondContact O-N 2.92Å; L77-G80 WeakPolarHBondContact O-CA 3.24Å; L77-G80 PolarHBondContact O-N 3.39Å; V78-G80 PolarHBondContact O-N 2.9Å; G80-K82 PolarHBondContact O-N 3.11Å
81	M	97.8	Very high	89	Confident	6 Å²	6	79.6 Å²	79.6	3%	0.03	38%	0.383	C	S	.	.			trans	-67.2	123.2	171.1	-73.8	-170.8	155.6	0	0	110.4	I18 Y28 V30 S32 F40 C76	I18-M81 HydrophobicContact CD1-CE 3.67Å; I18-M81 HydrophobicContact CD1-SD 4.25Å; Y28-M81 CarbonylContact O-C 3.39Å; Y28-M81 WeakPolarHBondContact O-CA 3.4Å; V30-M81 HydrophobicContact CB-CG 4.06Å; V30-M81 HydrophobicContact CG2-CG 3.87Å; S32-M81 WeakPolarHBondContact OG-CE 3.44Å; F40-M81 HydrophobicContact CB-SD 3.91Å; F40-M81 HydrophobicContact CD1-CB 4.34Å; F40-M81 HydrophobicContact CD1-SD 4.35Å; F40-M81 HydrophobicContact CD2-CB 3.96Å; F40-M81 HydrophobicContact CD2-SD 3.86Å; F40-M81 HydrophobicContact CE1-CB 4Å; F40-M81 HydrophobicContact CE2-CB 3.59Å; F40-M81 HydrophobicContact CE2-SD 4.46Å; F40-M81 HydrophobicContact CG-CB 4.31Å; F40-M81 HydrophobicContact CG-SD 3.78Å; F40-M81 HydrophobicContact CZ-CB 3.61Å; F40-M81 WeakPolarHBondContact CZ-O 3.34Å; C76-M81 HydrophobicContact CB-CB 4.22Å; C76-M81 HydrophobicContact CB-CG 4.21Å; C76-M81 HydrophobicContact CB-SD 3.63Å; C76-M81 VanDerWaalsContact O-CB 3.3Å; C76-M81 WeakPolarHBondContact O-CB 3.49Å; C76-M81 PolarHBondContact O-N 3.13Å
82	K	95.2	Very high	86.6	Confident	112 Å²	112	89.8 Å²	89.8	49%	0.487	42%	0.42	S	S	.	.			trans	-85.8	120.4	-175.3	-72.7	-175.8	169.2	-149	0	111.4	Y28 F40 G80 E84 A85	Y28-K82 PolarHBondContact O-N 3Å; F40-K82 WeakPolarHBondContact CE1-O 3.29Å; G80-K82 PolarHBondContact O-N 3.11Å; K82-E84 VanDerWaalsContact C-N 3.34Å; K82-E84 HydrophobicContact CB-CG 4.47Å; K82-E84 WeakPolarHBondContact CB-OE1 3.21Å; K82-E84 VanDerWaalsContact CD-OE1 3.28Å; K82-E84 WeakPolarHBondContact CD-OE1 3.34Å; K82-E84 WeakPolarHBondContact CG-OE1 3.25Å; K82-E84 IonicContact NZ-OE1 3.5Å; K82-A85 HydrophobicContact CB-CB 3.9Å; K82-A85 PolarHBondContact O-N 3.48Å
83	R	93.8	Very high	84.3	Confident	114 Å²	114	94.2 Å²	94.2	43%	0.43	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-64.2	-43.1	179.6	-61.1	-167.8	176	-148.5	7	110.7	F40 I44 Y73 L77 A85 V86	F40-R83 HydrophobicContact CZ-CG 4.13Å; I44-R83 HydrophobicContact CD1-CB 3.94Å; I44-R83 HydrophobicContact CD1-CG 3.64Å; Y73-R83 PolarHBondContact OH-NE 2.88Å; Y73-R83 VanDerWaalsContact OH-NE 3.16Å; Y73-R83 PolarHBondContact OH-NH1 3.33Å; Y73-R83 VanDerWaalsContact OH-NH1 3.15Å; Y73-R83 PolarHBondContact OH-NH2 3.48Å; Y73-R83 VanDerWaalsContact OH-NH2 3.08Å; L77-R83 HydrophobicContact CD2-CG 4.07Å; R83-A85 PolarHBondContact O-N 3.34Å; R83-A85 VanDerWaalsContact O-N 3.17Å; R83-V86 WeakPolarHBondContact O-CB 3.49Å; R83-V86 PolarHBondContact O-N 2.86Å
84	E	90.4	Very high	82	Confident	141 Å²	141	103.1 Å²	103.1	66%	0.659	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-63.4	-18.2	179.3	70.6	-80.3	-170.8	0	0	113.8	K82 V86	K82-E84 VanDerWaalsContact C-N 3.34Å; K82-E84 HydrophobicContact CB-CG 4.47Å; K82-E84 WeakPolarHBondContact CB-OE1 3.21Å; K82-E84 VanDerWaalsContact CD-OE1 3.28Å; K82-E84 WeakPolarHBondContact CD-OE1 3.34Å; K82-E84 WeakPolarHBondContact CG-OE1 3.25Å; K82-E84 IonicContact NZ-OE1 3.5Å; E84-V86 VanDerWaalsContact C-N 3.26Å; E84-V86 PolarHBondContact O-N 3.42Å
85	A	90.2	Very high	79.8	Confident	44 Å²	44	106 Å²	106	36%	0.364	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-79.8	-7.4	175.4	0	0	0	0	0	113	Y28 K82 R83 Q87	Y28-A85 HydrophobicContact CD1-CB 3.93Å; K82-A85 HydrophobicContact CB-CB 3.9Å; K82-A85 PolarHBondContact O-N 3.48Å; R83-A85 PolarHBondContact O-N 3.34Å; R83-A85 VanDerWaalsContact O-N 3.17Å; A85-Q87 PolarHBondContact O-N 3.07Å
86	V	89.5	Confident	77.4	Confident	15 Å²	15	110.1 Å²	110.1	9%	0.091	51%	0.513	C	S	.	.	S	Bend	trans	-85.2	100.8	174.2	-176.2	0	0	0	0	108.6	Y28 F40 K41 I44 R45 R83 E84	Y28-V86 HydrophobicContact CD1-CG2 3.69Å; Y28-V86 HydrophobicContact CE1-CB 4.2Å; Y28-V86 HydrophobicContact CE1-CG2 3.56Å; Y28-V86 HydrophobicContact CE2-CG2 4.5Å; Y28-V86 HydrophobicContact CG-CG2 4.25Å; F40-V86 HydrophobicContact CD1-CG2 3.85Å; F40-V86 HydrophobicContact CE1-CG2 3.8Å; K41-V86 HydrophobicContact CG-CG1 4.15Å; I44-V86 HydrophobicContact CB-CB 4.21Å; I44-V86 HydrophobicContact CB-CG1 4.19Å; I44-V86 HydrophobicContact CB-CG2 4.06Å; I44-V86 HydrophobicContact CG1-CG2 3.99Å; I44-V86 HydrophobicContact CG2-CB 3.89Å; I44-V86 HydrophobicContact CG2-CG1 4.11Å; I44-V86 HydrophobicContact CG2-CG2 4.17Å; R45-V86 HydrophobicContact CG-CG1 3.96Å; R83-V86 WeakPolarHBondContact O-CB 3.49Å; R83-V86 PolarHBondContact O-N 2.86Å; E84-V86 VanDerWaalsContact C-N 3.26Å; E84-V86 PolarHBondContact O-N 3.42Å
87	Q	82.9	Confident	74.9	Confident	147 Å²	147	112.6 Å²	112.6	69%	0.687	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-62.7	139.6	171.5	-66.7	175.7	-3.9	0	0	110.6	R45 A85	R45-Q87 PolarHBondContact NE-O 2.95Å; R45-Q87 VanDerWaalsContact NE-O 3.13Å; R45-Q87 PolarHBondContact NH2-O 3.19Å; A85-Q87 PolarHBondContact O-N 3.07Å
88	E	74.4	Confident	72.6	Confident	164 Å²	164	116.2 Å²	116.2	77%	0.766	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-53.6	157.6	167.1	-84.3	177.9	161.6	0	0	110.9	R90	E88-R90 PolarHBondContact O-N 3.18Å
89	E	66.9	Low	70	Confident	144 Å²	144	114.1 Å²	114.1	67%	0.673	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-59	133.5	175	-169.5	151.6	-162.4	0	0	109.3	Q91	E89-Q91 PolarHBondContact O-N 3.29Å
90	R	57	Low	67.6	Low	227 Å²	227	116.8 Å²	116.8	86%	0.857	55%	0.551	S	S	*	*			trans	-66.3	88	164.6	-74.1	-178.3	-179	179.5	-2	105.9	E88 R92	E88-R90 PolarHBondContact O-N 3.18Å; R90-R92 PolarHBondContact O-N 2.95Å
91	Q	51.6	Low	65.1	Low	110 Å²	110	117.3 Å²	117.3	51%	0.514	55%	0.551	S	S	.	*			trans	-52.8	128.4	162.5	-85.9	174.9	-24.7	0	0	106.5	E89 S93	E89-Q91 PolarHBondContact O-N 3.29Å; Q91-S93 PolarHBondContact O-N 2.97Å; Q91-S93 VanDerWaalsContact O-N 3.17Å
92	R	49.6	Very low	62.5	Low	222 Å²	222	123.4 Å²	123.4	84%	0.838	58%	0.58	S	S	*	*			trans	-58.3	123.4	167	-84.4	176.2	164.4	-180	-4.8	105.7	R90 R94	R90-R92 PolarHBondContact O-N 2.95Å; R92-R94 PolarHBondContact O-N 3.15Å
93	S	49.1	Very low	60.1	Low	102 Å²	102	123.8 Å²	123.8	71%	0.713	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	11.8	-175	-32.1	0	0	0	0	115.9	Q91 A97	Q91-S93 PolarHBondContact O-N 2.97Å; Q91-S93 VanDerWaalsContact O-N 3.17Å; S93-A97 VanDerWaalsContact O-CB 3.27Å; S93-A97 WeakPolarHBondContact O-CB 3.17Å; S93-A97 PolarHBondContact O-N 3.04Å
94	R	50.8	Low	57.8	Low	203 Å²	203	122.1 Å²	122.1	77%	0.766	61%	0.606	S	S	*	*	H	α-helix	trans	-78.6	-40.3	177	-86.9	-175.9	169.7	-177.3	-5.7	112.3	R92 A97 E98	R92-R94 PolarHBondContact O-N 3.15Å; R94-A97 PolarHBondContact O-N 3.01Å; R94-E98 PolarHBondContact O-N 3.48Å; R94-E98 VanDerWaalsContact O-N 3.11Å
95	E	51.5	Low	55.6	Low	132 Å²	132	121 Å²	121	62%	0.617	61%	0.609	S	S	*	*	H	α-helix	trans	-73.8	-35.7	-177.4	-70.5	168.8	178.8	0	0	112.5	E98 S99	E95-E98 PolarHBondContact O-N 3.47Å; E95-S99 PolarHBondContact O-N 2.88Å; E95-S99 VanDerWaalsContact O-N 3.1Å
96	R	47.3	Very low	53.1	Low	150 Å²	150	122.6 Å²	122.6	57%	0.566	62%	0.618	S	S	*	*	H	α-helix	trans	-71.9	-32.5	172.6	-88.1	-174.3	-176.3	172.7	1.2	113.6	E98 S99 E100	R96-E98 VanDerWaalsContact C-N 3.31Å; R96-S99 WeakPolarHBondContact CA-OG 3.33Å; R96-S99 PolarHBondContact O-N 2.85Å; R96-S99 PolarHBondContact O-OG 3.37Å; R96-E100 VanDerWaalsContact O-CB 3.29Å; R96-E100 WeakPolarHBondContact O-CB 3.42Å; R96-E100 WeakPolarHBondContact O-CG 3.34Å; R96-E100 PolarHBondContact O-N 3.07Å
97	A	45.7	Very low	50.8	Low	52 Å²	52	126.2 Å²	126.2	43%	0.43	66%	0.658	S	S	.	*	H	α-helix	trans	-71	-30.7	176.2	0	0	0	0	0	111.4	S93 R94 A101	S93-A97 VanDerWaalsContact O-CB 3.27Å; S93-A97 WeakPolarHBondContact O-CB 3.17Å; S93-A97 PolarHBondContact O-N 3.04Å; R94-A97 PolarHBondContact O-N 3.01Å; A97-A101 WeakPolarHBondContact O-CB 3.45Å; A97-A101 PolarHBondContact O-N 3.27Å
98	E	49	Very low	49	Very low	126 Å²	126	127.3 Å²	127.3	59%	0.589	66%	0.662	S	S	*	*	H	α-helix	trans	-70.5	-42.7	170.7	-76.3	169.5	177.7	0	0	111.1	R94 E95 R96 A101 E102	R94-E98 PolarHBondContact O-N 3.48Å; R94-E98 VanDerWaalsContact O-N 3.11Å; E95-E98 PolarHBondContact O-N 3.47Å; R96-E98 VanDerWaalsContact C-N 3.31Å; E98-A101 PolarHBondContact O-N 3.28Å; E98-E102 VanDerWaalsContact O-CB 3.3Å; E98-E102 WeakPolarHBondContact O-CB 3.12Å; E98-E102 VanDerWaalsContact O-CG 3.31Å; E98-E102 WeakPolarHBondContact O-CG 3.06Å; E98-E102 PolarHBondContact O-N 3.07Å
99	S	44	Very low	48.4	Very low	66 Å²	66	125.5 Å²	125.5	46%	0.462	65%	0.654	S	S	.	*	H	α-helix	trans	-68	-36.5	176.2	71.7	0	0	0	0	114.2	E95 R96 C103	E95-S99 PolarHBondContact O-N 2.88Å; E95-S99 VanDerWaalsContact O-N 3.1Å; R96-S99 WeakPolarHBondContact CA-OG 3.33Å; R96-S99 PolarHBondContact O-N 2.85Å; R96-S99 PolarHBondContact O-OG 3.37Å; S99-C103 PolarHBondContact O-N 3.4Å
100	E	46.3	Very low	48.9	Very low	138 Å²	138	122.3 Å²	122.3	65%	0.645	64%	0.642	S	S	*	*	H	α-helix	trans	-77.6	-29.9	177.2	-72.2	174.9	177.5	0	0	112.1	R96	R96-E100 VanDerWaalsContact O-CB 3.29Å; R96-E100 WeakPolarHBondContact O-CB 3.42Å; R96-E100 WeakPolarHBondContact O-CG 3.34Å; R96-E100 PolarHBondContact O-N 3.07Å
101	A	44.6	Very low	50.7	Low	48 Å²	48	111.7 Å²	111.7	40%	0.397	60%	0.602	S	S	.	*	H	α-helix	trans	-82.9	-31.1	176.7	0	0	0	0	0	113.3	A97 E98 C103 A104 T105	A97-A101 WeakPolarHBondContact O-CB 3.45Å; A97-A101 PolarHBondContact O-N 3.27Å; E98-A101 PolarHBondContact O-N 3.28Å; A101-C103 VanDerWaalsContact C-N 3.32Å; A101-A104 PolarHBondContact O-N 2.92Å; A101-T105 PolarHBondContact O-N 3.41Å; A101-T105 VanDerWaalsContact O-N 3.12Å; A101-T105 PolarHBondContact O-OG1 3.45Å
102	E	43.4	Very low	52.7	Low	134 Å²	134	107.6 Å²	107.6	63%	0.626	59%	0.585	S	S	*	*	H	α-helix	trans	-64.7	-37.9	171.8	-80.3	-180	167.8	0	0	111.1	E98 A104 T105 S106	E98-E102 VanDerWaalsContact O-CB 3.3Å; E98-E102 WeakPolarHBondContact O-CB 3.12Å; E98-E102 VanDerWaalsContact O-CG 3.31Å; E98-E102 WeakPolarHBondContact O-CG 3.06Å; E98-E102 PolarHBondContact O-N 3.07Å; E102-A104 PolarHBondContact O-N 2.97Å; E102-T105 PolarHBondContact O-N 2.85Å; E102-S106 PolarHBondContact O-OG 3.34Å
103	C	44.3	Very low	55	Low	121 Å²	121	97.7 Å²	97.7	82%	0.818	55%	0.549	S	S	*	.	H	α-helix	trans	-64.4	-23	174.4	-163	0	0	0	0	113.1	S99 A101	S99-C103 PolarHBondContact O-N 3.4Å; A101-C103 VanDerWaalsContact C-N 3.32Å
104	A	46	Very low	57.2	Low	79 Å²	79	97.4 Å²	97.4	65%	0.653	54%	0.536	S	S	*	.	H	α-helix	trans	-102.2	-9.2	-176.8	0	0	0	0	0	114.7	A101 E102	A101-A104 PolarHBondContact O-N 2.92Å; E102-A104 PolarHBondContact O-N 2.97Å
105	T	42.7	Very low	59.4	Low	118 Å²	118	94.2 Å²	94.2	72%	0.724	52%	0.524	S	S	*	.	H	α-helix	trans	-137.7	1.7	-167.1	61.3	0	0	0	0	118.5	A101 E102	A101-T105 PolarHBondContact O-N 3.41Å; A101-T105 VanDerWaalsContact O-N 3.12Å; A101-T105 PolarHBondContact O-OG1 3.45Å; E102-T105 PolarHBondContact O-N 2.85Å
106	S	38.9	Very low	61.6	Low	77 Å²	77	88 Å²	88	54%	0.538	50%	0.495	S	S	.	.			trans	-118.3	110.8	171.3	52.3	0	0	0	0	111.9	E102 H108	E102-S106 PolarHBondContact O-OG 3.34Å; S106-H108 PolarHBondContact O-N 3.44Å
107	G	40.5	Very low	64	Low	91 Å²	91	83.4 Å²	83.4	94%	0.938	48%	0.482	S	S	*	.			trans	-70.1	43.3	170.9	0	0	0	0	0	113.8
108	H	46.4	Very low	66.5	Low	169 Å²	169	85.6 Å²	85.6	78%	0.782	48%	0.483	S	S	*	.			trans	-105.1	107.1	163.6	-107	-83.1	0	0	0	106.8	S106 D110	S106-H108 PolarHBondContact O-N 3.44Å; H108-D110 PolarHBondContact O-N 3.39Å
109	E	60.4	Low	68.8	Low	126 Å²	126	79.6 Å²	79.6	59%	0.589	46%	0.455	S	S	*	.			trans	-63.1	100.9	170.9	-68.4	-165.8	173.2	0	0	108.6	M111 P112	E109-M111 VanDerWaalsContact C-N 3.28Å; E109-M111 PolarHBondContact O-N 2.66Å; E109-P112 HydrophobicContact CB-CB 3.94Å; E109-P112 WeakPolarHBondContact O-CD 3.48Å; E109-P112 WeakPolarHBondContact OE2-CA 3.42Å; E109-P112 WeakPolarHBondContact OE2-CB 3.14Å
110	D	78.8	Confident	71.4	Confident	78 Å²	78	76.8 Å²	76.8	42%	0.417	44%	0.435	S	S	.	.	S	Bend	trans	-66.4	-34.2	-180	-155.4	32	0	0	0	110.3	H108 P112 H166 K273	H108-D110 PolarHBondContact O-N 3.39Å; D110-P112 WeakPolarHBondContact O-CD 3.41Å; D110-H166 PolarHBondContact O-CD2 3Å; D110-H166 PolarHBondContact O-NE2 3.37Å; D110-H166 IonicContact OD1-CE1 3.2Å; D110-H166 PolarHBondContact OD1-CE1 3.32Å; D110-H166 IonicContact OD1-NE2 2.77Å; D110-H166 PolarHBondContact OD1-NE2 2.78Å; D110-H166 VanDerWaalsContact OD1-NE2 3.13Å; D110-H166 IonicContact OD2-NE2 3.79Å; D110-K273 WeakPolarHBondContact OD2-CE 3.45Å; D110-K273 IonicContact OD2-NZ 2.66Å; D110-K273 PolarHBondContact OD2-NZ 3.48Å
111	M	93.2	Very high	73.7	Confident	4 Å²	4	74.3 Å²	74.3	2%	0.02	43%	0.425	C	S	.	.	S	Bend	trans	-122.5	74.2	174.6	-172.2	64.7	65.8	0	0	111.2	E109 I116 P165 F254 L270 K273 V274 T277	E109-M111 VanDerWaalsContact C-N 3.28Å; E109-M111 PolarHBondContact O-N 2.66Å; M111-I116 HydrophobicContact CG-CD1 4.23Å; M111-I116 HydrophobicContact SD-CD1 4.21Å; M111-P165 HydrophobicContact CE-CB 4.31Å; M111-P165 HydrophobicContact SD-CB 3.71Å; M111-P165 HydrophobicContact SD-CG 3.87Å; M111-F254 HydrophobicContact CE-CE2 4.12Å; M111-L270 HydrophobicContact CE-CD2 4.18Å; M111-K273 HydrophobicContact CB-CB 3.87Å; M111-K273 HydrophobicContact CG-CB 4.36Å; M111-V274 HydrophobicContact CE-CG2 4.05Å; M111-V274 HydrophobicContact CG-CG2 3.8Å; M111-V274 HydrophobicContact SD-CG2 3.91Å; M111-T277 WeakPolarHBondContact O-CG2 3.41Å; M111-T277 PolarHBondContact O-OG1 3.48Å
112	P	94.7	Very high	76.1	Confident	24 Å²	24	74.7 Å²	74.7	16%	0.156	43%	0.428	C	S	.	.			trans	-72.8	133.3	-172.9	28.6	-33.8	0	0	0	112	E109 D110 E114 R115 I116 P165	E109-P112 HydrophobicContact CB-CB 3.94Å; E109-P112 WeakPolarHBondContact O-CD 3.48Å; E109-P112 WeakPolarHBondContact OE2-CA 3.42Å; E109-P112 WeakPolarHBondContact OE2-CB 3.14Å; D110-P112 WeakPolarHBondContact O-CD 3.41Å; P112-E114 PolarHBondContact O-N 3.45Å; P112-R115 HydrophobicContact CB-CG 4.26Å; P112-R115 HydrophobicContact CG-CB 3.93Å; P112-R115 HydrophobicContact CG-CG 3.45Å; P112-R115 VanDerWaalsContact CG-CG 3.45Å; P112-R115 PolarHBondContact O-N 2.98Å; P112-I116 PolarHBondContact O-N 3.03Å; P112-P165 HydrophobicContact CG-CG 4.34Å
113	V	96.7	Very high	78.5	Confident	13 Å²	13	69.1 Å²	69.1	8%	0.079	40%	0.404	C	S	.	.	H	α-helix	trans	-66.7	-27.5	-177.7	66.8	0	0	0	0	112	I116 L117 T277 Y281	V113-I116 PolarHBondContact O-N 3.37Å; V113-L117 WeakPolarHBondContact O-CB 3.38Å; V113-L117 PolarHBondContact O-N 3.44Å; V113-T277 HydrophobicContact CB-CG2 3.69Å; V113-T277 HydrophobicContact CG2-CG2 4.36Å; V113-Y281 HydrophobicContact CB-CD2 4.36Å; V113-Y281 HydrophobicContact CG1-CD2 3.95Å; V113-Y281 HydrophobicContact CG1-CE2 4.42Å; V113-Y281 HydrophobicContact CG2-CD2 3.73Å; V113-Y281 HydrophobicContact CG2-CE2 4.08Å; V113-Y281 HydrophobicContact CG2-CG 4.15Å
114	E	96.4	Very high	80.4	Confident	97 Å²	97	67.3 Å²	67.3	45%	0.453	38%	0.383	S	S	.	.	H	α-helix	trans	-64.2	-41.4	177.8	-64.7	69.6	-153.2	0	0	110.8	P112 I116 L117 E118	P112-E114 PolarHBondContact O-N 3.45Å; E114-I116 VanDerWaalsContact C-N 3.34Å; E114-L117 WeakPolarHBondContact O-CB 3.32Å; E114-L117 PolarHBondContact O-N 3.46Å; E114-E118 WeakPolarHBondContact O-CB 3.43Å; E114-E118 VanDerWaalsContact O-CG 3.32Å; E114-E118 WeakPolarHBondContact O-CG 3.43Å; E114-E118 PolarHBondContact O-N 3.46Å
115	R	97.1	Very high	82	Confident	136 Å²	136	65.1 Å²	65.1	51%	0.513	36%	0.362	S	S	.	.	H	α-helix	trans	-70	-34.9	178.8	-60.9	-69.4	-97.1	149.8	-2.6	111.5	P112 E118 A119 P165	P112-R115 HydrophobicContact CB-CG 4.26Å; P112-R115 HydrophobicContact CG-CB 3.93Å; P112-R115 HydrophobicContact CG-CG 3.45Å; P112-R115 VanDerWaalsContact CG-CG 3.45Å; P112-R115 PolarHBondContact O-N 2.98Å; R115-E118 WeakPolarHBondContact CD-OE2 3.34Å; R115-E118 IonicContact CZ-OE2 3.38Å; R115-E118 IonicContact NH1-OE2 3.03Å; R115-E118 PolarHBondContact NH1-OE2 3.16Å; R115-E118 PolarHBondContact O-N 3.08Å; R115-A119 WeakPolarHBondContact O-CB 3.19Å; R115-A119 PolarHBondContact O-N 3.08Å; R115-P165 HydrophobicContact CB-CG 3.81Å
116	I	97.9	Very high	83.3	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-64.2	-43.8	171.9	-63	175	0	0	0	110.2	M111 P112 V113 E114 A119 E120 I164	M111-I116 HydrophobicContact CG-CD1 4.23Å; M111-I116 HydrophobicContact SD-CD1 4.21Å; P112-I116 PolarHBondContact O-N 3.03Å; V113-I116 PolarHBondContact O-N 3.37Å; E114-I116 VanDerWaalsContact C-N 3.34Å; I116-A119 WeakPolarHBondContact O-CB 3.36Å; I116-A119 PolarHBondContact O-N 3.07Å; I116-E120 PolarHBondContact O-N 3.23Å; I116-E120 VanDerWaalsContact O-N 3.09Å; I116-I164 HydrophobicContact CG1-CD1 4.47Å; I116-I164 HydrophobicContact CG2-CD1 4.42Å
117	L	98.1	Very high	84.3	Confident	55 Å²	55	68.2 Å²	68.2	29%	0.288	36%	0.362	S	S	.	.	H	α-helix	trans	-63.5	-45.5	175.6	175.5	62.1	0	0	0	112	V113 E114 A119 E120 L121 K242	V113-L117 WeakPolarHBondContact O-CB 3.38Å; V113-L117 PolarHBondContact O-N 3.44Å; E114-L117 WeakPolarHBondContact O-CB 3.32Å; E114-L117 PolarHBondContact O-N 3.46Å; L117-A119 VanDerWaalsContact C-N 3.27Å; L117-A119 PolarHBondContact O-N 3.49Å; L117-E120 PolarHBondContact O-N 3.14Å; L117-L121 HydrophobicContact CD1-CD1 4.13Å; L117-L121 HydrophobicContact CD1-CG 4.14Å; L117-L121 HydrophobicContact CG-CD1 4.01Å; L117-L121 HydrophobicContact CG-CG 4.44Å; L117-L121 WeakPolarHBondContact O-CG 3.21Å; L117-L121 PolarHBondContact O-N 2.91Å; L117-K242 HydrophobicContact CD1-CB 3.69Å
118	E	97.5	Very high	84.5	Confident	97 Å²	97	73 Å²	73	45%	0.453	36%	0.361	S	S	.	.	H	α-helix	trans	-57	-42.1	174.6	-76.3	174.1	-173.7	0	0	111.4	E114 R115 L121 A122	E114-E118 WeakPolarHBondContact O-CB 3.43Å; E114-E118 VanDerWaalsContact O-CG 3.32Å; E114-E118 WeakPolarHBondContact O-CG 3.43Å; E114-E118 PolarHBondContact O-N 3.46Å; R115-E118 WeakPolarHBondContact CD-OE2 3.34Å; R115-E118 IonicContact CZ-OE2 3.38Å; R115-E118 IonicContact NH1-OE2 3.03Å; R115-E118 PolarHBondContact NH1-OE2 3.16Å; R115-E118 PolarHBondContact O-N 3.08Å; E118-L121 PolarHBondContact O-N 3.15Å; E118-A122 VanDerWaalsContact O-CB 3.25Å; E118-A122 WeakPolarHBondContact O-CB 3.47Å; E118-A122 PolarHBondContact O-N 2.95Å
119	A	97.8	Very high	84.4	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.008	36%	0.356	C	S	.	.	H	α-helix	trans	-61.6	-43.9	176.8	0	0	0	0	0	111.9	R115 I116 L117 V123 R163 I164	R115-A119 WeakPolarHBondContact O-CB 3.19Å; R115-A119 PolarHBondContact O-N 3.08Å; I116-A119 WeakPolarHBondContact O-CB 3.36Å; I116-A119 PolarHBondContact O-N 3.07Å; L117-A119 VanDerWaalsContact C-N 3.27Å; L117-A119 PolarHBondContact O-N 3.49Å; A119-V123 WeakPolarHBondContact O-CG2 3.42Å; A119-R163 HydrophobicContact CB-CB 3.61Å; A119-I164 HydrophobicContact CB-CD1 3.83Å
120	E	96.9	Very high	83.8	Confident	6 Å²	6	69.5 Å²	69.5	3%	0.028	35%	0.35	C	S	.	.	H	α-helix	trans	-61.5	-50.2	174.8	-72.8	-62.5	144	0	0	111.5	I116 L117 A122 V123 E124 W160 G246 R249	I116-E120 PolarHBondContact O-N 3.23Å; I116-E120 VanDerWaalsContact O-N 3.09Å; L117-E120 PolarHBondContact O-N 3.14Å; E120-A122 VanDerWaalsContact C-N 3.3Å; E120-A122 PolarHBondContact O-N 3.24Å; E120-V123 WeakPolarHBondContact O-CG2 3.46Å; E120-V123 PolarHBondContact O-N 3.11Å; E120-E124 WeakPolarHBondContact O-CG 3.36Å; E120-E124 PolarHBondContact O-N 2.97Å; E120-W160 PolarHBondContact OE1-NE1 2.98Å; E120-G246 WeakPolarHBondContact OE1-CA 3.4Å; E120-R249 VanDerWaalsContact CD-NH1 3.34Å; E120-R249 WeakPolarHBondContact OE1-CD 3.1Å; E120-R249 IonicContact OE1-CZ 3Å; E120-R249 IonicContact OE1-NE 3.82Å; E120-R249 PolarHBondContact OE1-NE 3.27Å; E120-R249 IonicContact OE1-NH1 2.69Å; E120-R249 PolarHBondContact OE1-NH1 2.88Å; E120-R249 VanDerWaalsContact OE1-NH1 3.15Å; E120-R249 IonicContact OE2-CZ 3.21Å; E120-R249 IonicContact OE2-NH1 3.62Å; E120-R249 PolarHBondContact OE2-NH1 2.87Å
121	L	95.9	Very high	82	Confident	86 Å²	86	69.7 Å²	69.7	45%	0.45	37%	0.371	S	S	.	.	H	α-helix	trans	-62.9	-34.8	-178.8	-67.1	174.2	0	0	0	112.8	L117 E118 V123 K242	L117-L121 HydrophobicContact CD1-CD1 4.13Å; L117-L121 HydrophobicContact CD1-CG 4.14Å; L117-L121 HydrophobicContact CG-CD1 4.01Å; L117-L121 HydrophobicContact CG-CG 4.44Å; L117-L121 WeakPolarHBondContact O-CG 3.21Å; L117-L121 PolarHBondContact O-N 2.91Å; E118-L121 PolarHBondContact O-N 3.15Å; L121-V123 VanDerWaalsContact C-N 3.27Å; L121-V123 PolarHBondContact O-N 2.93Å; L121-K242 HydrophobicContact CD2-CD 3.64Å
122	A	95.1	Very high	79.4	Confident	56 Å²	56	76.4 Å²	76.4	46%	0.463	41%	0.407	S	S	.	.	H	α-helix	trans	-67.4	-26.2	-178.1	0	0	0	0	0	113.6	E118 E120	E118-A122 VanDerWaalsContact O-CB 3.25Å; E118-A122 WeakPolarHBondContact O-CB 3.47Å; E118-A122 PolarHBondContact O-N 2.95Å; E120-A122 VanDerWaalsContact C-N 3.3Å; E120-A122 PolarHBondContact O-N 3.24Å
123	V	92.6	Very high	76.7	Confident	18 Å²	18	82 Å²	82	11%	0.109	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	7.2	-176.1	-57.4	0	0	0	0	113.3	A119 E120 L121 E159 W160	A119-V123 WeakPolarHBondContact O-CG2 3.42Å; E120-V123 WeakPolarHBondContact O-CG2 3.46Å; E120-V123 PolarHBondContact O-N 3.11Å; L121-V123 VanDerWaalsContact C-N 3.27Å; L121-V123 PolarHBondContact O-N 2.93Å; V123-E159 HydrophobicContact CG1-CB 4.49Å; V123-W160 HydrophobicContact CB-CB 4.41Å; V123-W160 HydrophobicContact CG1-CB 3.8Å; V123-W160 HydrophobicContact CG2-CB 4.01Å; V123-W160 HydrophobicContact CG2-CG 4.26Å
124	E	85.1	Confident	74	Confident	83 Å²	83	87.4 Å²	87.4	39%	0.388	46%	0.461	S	S	.	.			trans	-64.8	127.2	177.2	-74.1	-166.1	148.5	0	0	111.2	E120 K126 K242	E120-E124 WeakPolarHBondContact O-CG 3.36Å; E120-E124 PolarHBondContact O-N 2.97Å; E124-K126 PolarHBondContact O-N 2.88Å; E124-K242 VanDerWaalsContact OE1-CD 3.28Å; E124-K242 WeakPolarHBondContact OE1-CD 3.46Å; E124-K242 WeakPolarHBondContact OE1-CE 3.25Å; E124-K242 IonicContact OE1-NZ 3.13Å; E124-K242 PolarHBondContact OE1-NZ 2.85Å; E124-K242 IonicContact OE2-NZ 3.59Å; E124-K242 PolarHBondContact OE2-NZ 3.48Å
125	P	79.9	Confident	71.6	Confident	32 Å²	32	91.1 Å²	91.1	21%	0.208	48%	0.481	C	S	.	.			trans	-64.2	125	175	24.4	-30.2	0	0	0	109.1	T127 A205	P125-T127 PolarHBondContact O-N 3.49Å; P125-A205 HydrophobicContact CB-CB 4.21Å; P125-A205 HydrophobicContact CG-CB 4.13Å
126	K	68.7	Low	69	Low	185 Å²	185	92.2 Å²	92.2	80%	0.804	49%	0.492	S	S	*	.			trans	-67.9	92.7	174.4	-64.7	-179	-178.8	179.6	0	109.2	E124 E128	E124-K126 PolarHBondContact O-N 2.88Å; K126-E128 VanDerWaalsContact C-N 3.25Å; K126-E128 PolarHBondContact O-N 3.28Å
127	T	60	Low	66.4	Low	75 Å²	75	99.8 Å²	99.8	46%	0.46	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-75	-11	-177.9	44.1	0	0	0	0	113.7	P125 S129 L203	P125-T127 PolarHBondContact O-N 3.49Å; T127-S129 PolarHBondContact O-N 3.14Å; T127-L203 HydrophobicContact CG2-CD2 4.24Å
128	E	46.3	Very low	64.2	Low	193 Å²	193	99.5 Å²	99.5	90%	0.902	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-79.3	-6.6	-172.7	-64.5	-175.4	163.1	0	0	115.3	K126	K126-E128 VanDerWaalsContact C-N 3.25Å; K126-E128 PolarHBondContact O-N 3.28Å
129	S	42.7	Very low	62.3	Low	97 Å²	97	98.2 Å²	98.2	68%	0.678	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-108	3.1	-173.2	-171.5	0	0	0	0	115.8	T127	T127-S129 PolarHBondContact O-N 3.14Å
130	Y	48.4	Very low	60.8	Low	123 Å²	123	106.2 Å²	106.2	48%	0.482	58%	0.576	S	S	.	*			trans	-106.9	26.4	-171.9	-75.5	-80.7	0	0	0	114.2	D132 M133	Y130-D132 PolarHBondContact O-N 2.91Å; Y130-M133 HydrophobicContact CD1-CB 4.23Å; Y130-M133 HydrophobicContact CD1-CG 4.06Å; Y130-M133 HydrophobicContact CE1-CG 4.32Å
131	G	40.8	Very low	60.4	Low	82 Å²	82	108.4 Å²	108.4	85%	0.845	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-2	172.1	0	0	0	0	0	115.1
132	D	38.6	Very low	60	Low	145 Å²	145	104.9 Å²	104.9	78%	0.775	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.6	24.8	-168.2	-143.8	9.4	0	0	0	115.2	Y130	Y130-D132 PolarHBondContact O-N 2.91Å
133	M	39.1	Very low	59.7	Low	143 Å²	143	102.8 Å²	102.8	70%	0.704	55%	0.552	S	S	*	*	S	Bend	trans	-104.5	107.7	174.4	-74.1	-79.8	97	0	0	110.7	Y130 M135	Y130-M133 HydrophobicContact CD1-CB 4.23Å; Y130-M133 HydrophobicContact CD1-CG 4.06Å; Y130-M133 HydrophobicContact CE1-CG 4.32Å; M133-M135 PolarHBondContact O-N 3.31Å
134	N	39.3	Very low	59.5	Low	125 Å²	125	103.2 Å²	103.2	67%	0.668	55%	0.554	S	S	*	*			trans	-3.7	104.4	169.4	-78.2	4.9	0	0	0	116	E136	N134-E136 HydrophobicContact CB-CB 4.41Å; N134-E136 PolarHBondContact O-N 2.93Å
135	M	46.2	Very low	59.7	Low	175 Å²	175	100.3 Å²	100.3	86%	0.862	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	25.2	165.7	-149.8	169.9	107	0	0	112.8	M133	M133-M135 PolarHBondContact O-N 3.31Å
136	E	42.1	Very low	60.2	Low	160 Å²	160	101.1 Å²	101.1	75%	0.748	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-13.2	-174.1	-67.5	-173.8	155.8	0	0	113.1	N134	N134-E136 HydrophobicContact CB-CB 4.41Å; N134-E136 PolarHBondContact O-N 2.93Å
137	N	44.3	Very low	61.3	Low	158 Å²	158	92.6 Å²	92.6	85%	0.845	51%	0.508	S	S	*	.	S	Bend	trans	-114.4	5.6	178.1	-84.8	-8.6	0	0	0	114.4	T139	N137-T139 PolarHBondContact O-N 3.13Å; N137-T139 VanDerWaalsContact O-N 3.13Å
138	S	51.2	Low	62.6	Low	50 Å²	50	93.7 Å²	93.7	35%	0.35	51%	0.507	S	S	.	.			trans	-71.8	108.8	173.7	55.9	0	0	0	0	109.3	N140	S138-N140 PolarHBondContact O-N 3.45Å
139	T	56.6	Low	64.7	Low	69 Å²	69	84.8 Å²	84.8	42%	0.423	47%	0.467	S	S	.	.			trans	-56.5	134.9	164	60.8	0	0	0	0	108.4	N137 D141 N145	N137-T139 PolarHBondContact O-N 3.13Å; N137-T139 VanDerWaalsContact O-N 3.13Å; T139-D141 PolarHBondContact O-N 3.01Å; T139-D141 VanDerWaalsContact O-N 3.08Å; T139-N145 PolarHBondContact O-ND2 3.4Å
140	N	68	Low	67.1	Low	169 Å²	169	81.1 Å²	81.1	90%	0.904	44%	0.442	S	S	*	.	S	Bend	trans	-67.5	-3.2	177.4	-86.6	-25.1	0	0	0	113	S138 P142	S138-N140 PolarHBondContact O-N 3.45Å; N140-P142 WeakPolarHBondContact O-CD 3.39Å
141	D	86.9	Confident	68.9	Low	52 Å²	52	76.3 Å²	76.3	28%	0.278	43%	0.425	S	S	.	.			trans	-85.8	112.4	-179.2	175.9	36.2	0	0	0	111.3	T139 V143 T144 N145	T139-D141 PolarHBondContact O-N 3.01Å; T139-D141 VanDerWaalsContact O-N 3.08Å; D141-V143 PolarHBondContact O-N 2.95Å; D141-V143 PolarHBondContact OD1-N 3.16Å; D141-T144 PolarHBondContact O-N 2.9Å; D141-T144 VanDerWaalsContact OD2-CB 3.3Å; D141-T144 WeakPolarHBondContact OD2-CB 3.36Å; D141-T144 PolarHBondContact OD2-N 3.45Å; D141-T144 PolarHBondContact OD2-OG1 2.89Å; D141-N145 PolarHBondContact O-N 3.29Å; D141-N145 PolarHBondContact O-ND2 2.97Å
142	P	87.3	Confident	71.2	Confident	12 Å²	12	76.6 Å²	76.6	8%	0.078	40%	0.402	C	S	.	.	H	α-helix	trans	-63.3	-27.7	178.5	27.4	-35.8	0	0	0	112.7	N140 N145 I146 V210 A218	N140-P142 WeakPolarHBondContact O-CD 3.39Å; P142-N145 PolarHBondContact O-N 3.03Å; P142-I146 WeakPolarHBondContact O-CD1 3.48Å; P142-I146 WeakPolarHBondContact O-CG1 3.25Å; P142-I146 PolarHBondContact O-N 3.23Å; P142-V210 HydrophobicContact CB-CG1 3.75Å; P142-A218 HydrophobicContact CG-CB 3.43Å; P142-A218 VanDerWaalsContact CG-CB 3.43Å
143	V	89.3	Confident	73.7	Confident	13 Å²	13	70.5 Å²	70.5	8%	0.079	37%	0.37	C	S	.	.	H	α-helix	trans	-68.9	-49.4	-179.3	-177.8	0	0	0	0	110.3	D141 N145 I146 C147 A218 V220 F317 T323	D141-V143 PolarHBondContact O-N 2.95Å; D141-V143 PolarHBondContact OD1-N 3.16Å; V143-N145 VanDerWaalsContact C-N 3.3Å; V143-N145 PolarHBondContact O-N 3.42Å; V143-I146 PolarHBondContact O-N 2.94Å; V143-I146 VanDerWaalsContact O-N 3.14Å; V143-C147 PolarHBondContact O-N 3.31Å; V143-C147 PolarHBondContact O-SG 3.28Å; V143-C147 VanDerWaalsContact O-SG 3.39Å; V143-A218 HydrophobicContact CG2-CB 4.24Å; V143-V220 HydrophobicContact CG2-CG1 4.04Å; V143-V220 HydrophobicContact CG2-CG2 4.02Å; V143-F317 HydrophobicContact CG1-CD2 4.03Å; V143-F317 HydrophobicContact CG1-CE2 3.75Å; V143-F317 HydrophobicContact CG1-CZ 4.19Å; V143-F317 HydrophobicContact CG2-CZ 4.41Å; V143-T323 HydrophobicContact CG1-CG2 4.25Å
144	T	88	Confident	76.2	Confident	26 Å²	26	63.9 Å²	63.9	16%	0.16	34%	0.337	C	S	.	.	H	α-helix	trans	-55.7	-44.6	174.3	-61.2	0	0	0	0	111.5	D141 I146 C147 H148 T323 P324	D141-T144 PolarHBondContact O-N 2.9Å; D141-T144 VanDerWaalsContact OD2-CB 3.3Å; D141-T144 WeakPolarHBondContact OD2-CB 3.36Å; D141-T144 PolarHBondContact OD2-N 3.45Å; D141-T144 PolarHBondContact OD2-OG1 2.89Å; T144-I146 PolarHBondContact O-N 3.4Å; T144-C147 PolarHBondContact O-N 3.41Å; T144-H148 WeakPolarHBondContact O-CB 3.4Å; T144-H148 PolarHBondContact O-N 2.95Å; T144-T323 WeakPolarHBondContact OG1-CG2 3.28Å; T144-P324 HydrophobicContact CG2-CG 4.23Å
145	N	89.6	Confident	78.6	Confident	22 Å²	22	63.5 Å²	63.5	12%	0.118	33%	0.329	C	S	.	.	H	α-helix	trans	-63.3	-39.9	178.2	-69.9	-48.4	0	0	0	112.5	T139 D141 P142 V143 A149 L204 L208	T139-N145 PolarHBondContact O-ND2 3.4Å; D141-N145 PolarHBondContact O-N 3.29Å; D141-N145 PolarHBondContact O-ND2 2.97Å; P142-N145 PolarHBondContact O-N 3.03Å; V143-N145 VanDerWaalsContact C-N 3.3Å; V143-N145 PolarHBondContact O-N 3.42Å; N145-A149 WeakPolarHBondContact O-CB 3.35Å; N145-A149 PolarHBondContact O-N 2.62Å; N145-L204 HydrophobicContact CB-CD1 3.99Å; N145-L204 WeakPolarHBondContact O-CD1 3.23Å; N145-L208 HydrophobicContact CB-CD1 4.22Å
146	I	91.8	Very high	80.8	Confident	49 Å²	49	56.9 Å²	56.9	25%	0.251	30%	0.299	S	S	.	.	H	α-helix	trans	-64.5	-45.7	174.9	-70.5	163.7	0	0	0	110.6	P142 V143 T144 A149 A150 L204 V210	P142-I146 WeakPolarHBondContact O-CD1 3.48Å; P142-I146 WeakPolarHBondContact O-CG1 3.25Å; P142-I146 PolarHBondContact O-N 3.23Å; V143-I146 PolarHBondContact O-N 2.94Å; V143-I146 VanDerWaalsContact O-N 3.14Å; T144-I146 PolarHBondContact O-N 3.4Å; I146-A149 PolarHBondContact O-N 3.17Å; I146-A150 WeakPolarHBondContact O-CB 3.43Å; I146-A150 PolarHBondContact O-N 3.11Å; I146-L204 HydrophobicContact CG1-CD1 4.32Å; I146-L204 HydrophobicContact CG1-CD2 4.02Å; I146-V210 HydrophobicContact CG1-CG2 4.33Å
147	C	90.3	Very high	83.4	Confident	7 Å²	7	49.5 Å²	49.5	5%	0.047	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-46.6	178.9	-70.2	0	0	0	0	111.9	V143 T144 A149 A150 D151 L329	V143-C147 PolarHBondContact O-N 3.31Å; V143-C147 PolarHBondContact O-SG 3.28Å; V143-C147 VanDerWaalsContact O-SG 3.39Å; T144-C147 PolarHBondContact O-N 3.41Å; C147-A149 VanDerWaalsContact C-N 3.34Å; C147-A149 PolarHBondContact O-N 3Å; C147-A150 WeakPolarHBondContact O-CB 2.86Å; C147-A150 PolarHBondContact O-N 2.69Å; C147-A150 VanDerWaalsContact O-N 3.14Å; C147-D151 PolarHBondContact O-N 3.05Å; C147-L329 HydrophobicContact CB-CD2 4.13Å
148	H	88.3	Confident	85.8	Confident	98 Å²	98	44.1 Å²	44.1	45%	0.454	24%	0.238	S	C	.	.	H	α-helix	trans	-62.7	-40.5	176.6	177.5	-156.9	0	0	0	111.8	T144 A150 D151 K152	T144-H148 WeakPolarHBondContact O-CB 3.4Å; T144-H148 PolarHBondContact O-N 2.95Å; H148-A150 VanDerWaalsContact C-N 3.33Å; H148-A150 PolarHBondContact O-N 2.94Å; H148-D151 PolarHBondContact O-N 3.38Å; H148-K152 PolarHBondContact O-N 3.1Å; H148-K152 VanDerWaalsContact O-N 3.13Å
149	A	90.8	Very high	87.9	Confident	6 Å²	6	46.3 Å²	46.3	5%	0.05	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-36.9	174.2	0	0	0	0	0	112.3	N145 I146 C147 Q153 L204 T206	N145-A149 WeakPolarHBondContact O-CB 3.35Å; N145-A149 PolarHBondContact O-N 2.62Å; I146-A149 PolarHBondContact O-N 3.17Å; C147-A149 VanDerWaalsContact C-N 3.34Å; C147-A149 PolarHBondContact O-N 3Å; A149-Q153 WeakPolarHBondContact O-CB 3.33Å; A149-Q153 WeakPolarHBondContact O-CG 3.45Å; A149-Q153 PolarHBondContact O-N 3.5Å; A149-Q153 VanDerWaalsContact O-N 3.13Å; A149-L204 HydrophobicContact CB-CB 3.89Å; A149-L204 HydrophobicContact CB-CD1 4.08Å; A149-L204 HydrophobicContact CB-CD2 4.36Å; A149-L204 HydrophobicContact CB-CG 4.33Å; A149-T206 HydrophobicContact CB-CG2 4.03Å
150	A	91.4	Very high	89.9	Confident	19 Å²	19	43 Å²	43	16%	0.157	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-47.2	176	0	0	0	0	0	111.3	I146 C147 H148 K152 Q153 L154 L187	I146-A150 WeakPolarHBondContact O-CB 3.43Å; I146-A150 PolarHBondContact O-N 3.11Å; C147-A150 WeakPolarHBondContact O-CB 2.86Å; C147-A150 PolarHBondContact O-N 2.69Å; C147-A150 VanDerWaalsContact O-N 3.14Å; H148-A150 VanDerWaalsContact C-N 3.33Å; H148-A150 PolarHBondContact O-N 2.94Å; A150-K152 PolarHBondContact O-N 3.02Å; A150-Q153 CarbonylContact O-C 3.55Å; A150-Q153 WeakPolarHBondContact O-CA 3.31Å; A150-Q153 PolarHBondContact O-N 3.14Å; A150-L154 WeakPolarHBondContact O-CG 3.33Å; A150-L154 PolarHBondContact O-N 3.01Å; A150-L187 HydrophobicContact CB-CD1 4.05Å
151	D	88	Confident	91.3	Very high	23 Å²	23	35 Å²	35	12%	0.123	18%	0.179	C	C	.	.	H	α-helix	trans	-56.5	-50.1	178	-171.4	81.2	0	0	0	111.6	C147 H148 Q153 L154 D326 F328 L329	C147-D151 PolarHBondContact O-N 3.05Å; H148-D151 PolarHBondContact O-N 3.38Å; D151-Q153 PolarHBondContact O-N 2.64Å; D151-L154 WeakPolarHBondContact O-CB 3.49Å; D151-L154 PolarHBondContact O-N 3.39Å; D151-L154 VanDerWaalsContact O-N 3.08Å; D151-D326 HydrophobicContact CB-CB 4.18Å; D151-D326 WeakPolarHBondContact OD1-CB 3.28Å; D151-F328 WeakPolarHBondContact OD1-CB 3.38Å; D151-L329 PolarHBondContact OD1-N 3.43Å
152	K	87.6	Confident	91.8	Very high	87 Å²	87	38.3 Å²	38.3	38%	0.378	19%	0.191	S	C	.	.	H	α-helix	trans	-57.4	-35.6	174.8	-174.6	177.1	-179.3	-178.6	0	112.8	H148 A150	H148-K152 PolarHBondContact O-N 3.1Å; H148-K152 VanDerWaalsContact O-N 3.13Å; A150-K152 PolarHBondContact O-N 3.02Å
153	Q	92.1	Very high	92.3	Very high	18 Å²	18	42.9 Å²	42.9	8%	0.084	21%	0.207	C	C	.	.	H	α-helix	trans	-84.3	-14.1	-179.1	-69.2	-68.8	-86.1	0	0	114	A149 A150 D151 F155 T156 L157 L187 A205	A149-Q153 WeakPolarHBondContact O-CB 3.33Å; A149-Q153 WeakPolarHBondContact O-CG 3.45Å; A149-Q153 PolarHBondContact O-N 3.5Å; A149-Q153 VanDerWaalsContact O-N 3.13Å; A150-Q153 CarbonylContact O-C 3.55Å; A150-Q153 WeakPolarHBondContact O-CA 3.31Å; A150-Q153 PolarHBondContact O-N 3.14Å; D151-Q153 PolarHBondContact O-N 2.64Å; Q153-F155 VanDerWaalsContact C-N 3.32Å; Q153-T156 WeakPolarHBondContact CA-OG1 3.48Å; Q153-T156 PolarHBondContact NE2-OG1 2.97Å; Q153-T156 PolarHBondContact O-N 3.03Å; Q153-T156 PolarHBondContact O-OG1 2.85Å; Q153-L157 VanDerWaalsContact O-CB 3.3Å; Q153-L157 WeakPolarHBondContact O-CB 3.41Å; Q153-L157 PolarHBondContact O-N 3.12Å; Q153-L187 HydrophobicContact CB-CD2 3.62Å; Q153-A205 HydrophobicContact CG-CB 3.38Å
154	L	91.5	Very high	92.7	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-65.1	-38.8	174.3	-77.3	173.2	0	0	0	111.2	A150 D151 L157 V158 W183 L187 F328 L329 M332	A150-L154 WeakPolarHBondContact O-CG 3.33Å; A150-L154 PolarHBondContact O-N 3.01Å; D151-L154 WeakPolarHBondContact O-CB 3.49Å; D151-L154 PolarHBondContact O-N 3.39Å; D151-L154 VanDerWaalsContact O-N 3.08Å; L154-L157 HydrophobicContact CD2-CD2 4.49Å; L154-L157 WeakPolarHBondContact O-CB 3.45Å; L154-L157 PolarHBondContact O-N 3.23Å; L154-V158 PolarHBondContact O-N 3.41Å; L154-W183 HydrophobicContact CD2-CB 3.88Å; L154-W183 HydrophobicContact CD2-CD2 4.02Å; L154-W183 HydrophobicContact CD2-CE3 3.67Å; L154-W183 HydrophobicContact CD2-CG 4.14Å; L154-L187 HydrophobicContact CD2-CD1 4.06Å; L154-L187 HydrophobicContact CG-CD1 4.26Å; L154-F328 HydrophobicContact CB-CD1 3.64Å; L154-F328 HydrophobicContact CB-CE1 3.62Å; L154-F328 HydrophobicContact CD1-CD1 3.73Å; L154-F328 HydrophobicContact CD1-CE1 4.24Å; L154-F328 HydrophobicContact CG-CD1 4.32Å; L154-F328 HydrophobicContact CG-CE1 4.49Å; L154-L329 HydrophobicContact CD1-CB 4.29Å; L154-L329 HydrophobicContact CD1-CD1 4.05Å; L154-M332 HydrophobicContact CD1-CG 4.04Å; L154-M332 HydrophobicContact CD2-CG 4.43Å
155	F	88.8	Confident	93.2	Very high	116 Å²	116	42 Å²	42	51%	0.509	20%	0.202	S	C	.	.	H	α-helix	trans	-63.6	-45	174	-66	-82.6	0	0	0	112	Q153 L157 V158 E159 F328	Q153-F155 VanDerWaalsContact C-N 3.32Å; F155-L157 PolarHBondContact O-N 2.64Å; F155-V158 PolarHBondContact O-N 2.94Å; F155-E159 PolarHBondContact O-N 3.12Å; F155-F328 HydrophobicContact CE2-CD1 4.11Å; F155-F328 HydrophobicContact CE2-CG 4.45Å; F155-F328 HydrophobicContact CZ-CB 4.37Å; F155-F328 HydrophobicContact CZ-CD1 4.09Å; F155-F328 HydrophobicContact CZ-CG 4.13Å
156	T	93.2	Very high	93.5	Very high	36 Å²	36	43.3 Å²	43.3	22%	0.221	21%	0.207	C	C	.	.	H	α-helix	trans	-68.4	-25.2	177.3	61.7	0	0	0	0	112.1	Q153 E159 W160	Q153-T156 WeakPolarHBondContact CA-OG1 3.48Å; Q153-T156 PolarHBondContact NE2-OG1 2.97Å; Q153-T156 PolarHBondContact O-N 3.03Å; Q153-T156 PolarHBondContact O-OG1 2.85Å; T156-E159 WeakPolarHBondContact O-CB 3.18Å; T156-E159 PolarHBondContact O-N 2.89Å; T156-W160 WeakPolarHBondContact O-CB 3.4Å; T156-W160 PolarHBondContact O-N 3.15Å
157	L	96.2	Very high	93.8	Very high	5 Å²	5	41 Å²	41	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-67.4	-40.8	174	-178.1	66.6	0	0	0	112.1	Q153 L154 F155 E159 W160 A161 L179 W183 L186 L187	Q153-L157 VanDerWaalsContact O-CB 3.3Å; Q153-L157 WeakPolarHBondContact O-CB 3.41Å; Q153-L157 PolarHBondContact O-N 3.12Å; L154-L157 HydrophobicContact CD2-CD2 4.49Å; L154-L157 WeakPolarHBondContact O-CB 3.45Å; L154-L157 PolarHBondContact O-N 3.23Å; F155-L157 PolarHBondContact O-N 2.64Å; L157-E159 VanDerWaalsContact C-N 3.3Å; L157-E159 PolarHBondContact O-N 2.91Å; L157-W160 HydrophobicContact CD1-CD2 4.44Å; L157-W160 HydrophobicContact CD1-CE3 3.68Å; L157-W160 HydrophobicContact CD1-CZ3 4.16Å; L157-W160 WeakPolarHBondContact O-CB 3.47Å; L157-W160 PolarHBondContact O-N 3.46Å; L157-A161 WeakPolarHBondContact O-CB 3.48Å; L157-A161 PolarHBondContact O-N 3.19Å; L157-L179 HydrophobicContact CD2-CD2 4.46Å; L157-L179 HydrophobicContact CG-CD2 4.28Å; L157-W183 HydrophobicContact CD2-CB 3.82Å; L157-L186 HydrophobicContact CD1-CB 3.72Å; L157-L186 HydrophobicContact CD1-CD1 3.99Å; L157-L186 HydrophobicContact CD1-CG 4.39Å; L157-L186 HydrophobicContact CD2-CB 4.18Å; L157-L186 HydrophobicContact CD2-CD1 4.14Å; L157-L186 HydrophobicContact CG-CD1 4.48Å; L157-L187 HydrophobicContact CB-CD2 4.43Å; L157-L187 HydrophobicContact CD2-CD2 4.49Å
158	V	95.4	Very high	94.1	Very high	46 Å²	46	43.5 Å²	43.5	28%	0.279	21%	0.213	S	C	.	.	H	α-helix	trans	-62.5	-42.8	174.2	-179.4	0	0	0	0	110.2	L154 F155 A161 K162 L179	L154-V158 PolarHBondContact O-N 3.41Å; F155-V158 PolarHBondContact O-N 2.94Å; V158-A161 PolarHBondContact O-N 3.13Å; V158-K162 HydrophobicContact CG1-CD 4.45Å; V158-K162 WeakPolarHBondContact O-CG 3.43Å; V158-K162 PolarHBondContact O-N 2.9Å; V158-L179 HydrophobicContact CG2-CD1 4.25Å
159	E	95.1	Very high	94.5	Very high	96 Å²	96	44.4 Å²	44.4	45%	0.449	22%	0.221	S	C	.	.	H	α-helix	trans	-61.8	-40.3	175.3	-82.4	-165.1	-152	0	0	113.5	V123 F155 T156 L157 R163	V123-E159 HydrophobicContact CG1-CB 4.49Å; F155-E159 PolarHBondContact O-N 3.12Å; T156-E159 WeakPolarHBondContact O-CB 3.18Å; T156-E159 PolarHBondContact O-N 2.89Å; L157-E159 VanDerWaalsContact C-N 3.3Å; L157-E159 PolarHBondContact O-N 2.91Å; E159-R163 WeakPolarHBondContact O-CG 3.32Å; E159-R163 PolarHBondContact O-NH1 3.21Å; E159-R163 IonicContact OE2-NH1 2.64Å; E159-R163 IonicContact OE2-NH2 2.88Å
160	W	98.1	Very high	94.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.2	-50.4	173.2	170.5	83.1	0	0	0	110.8	E120 V123 T156 L157 K162 R163 I164 L186 R249 L253	E120-W160 PolarHBondContact OE1-NE1 2.98Å; V123-W160 HydrophobicContact CB-CB 4.41Å; V123-W160 HydrophobicContact CG1-CB 3.8Å; V123-W160 HydrophobicContact CG2-CB 4.01Å; V123-W160 HydrophobicContact CG2-CG 4.26Å; T156-W160 WeakPolarHBondContact O-CB 3.4Å; T156-W160 PolarHBondContact O-N 3.15Å; L157-W160 HydrophobicContact CD1-CD2 4.44Å; L157-W160 HydrophobicContact CD1-CE3 3.68Å; L157-W160 HydrophobicContact CD1-CZ3 4.16Å; L157-W160 WeakPolarHBondContact O-CB 3.47Å; L157-W160 PolarHBondContact O-N 3.46Å; W160-K162 VanDerWaalsContact C-N 3.32Å; W160-K162 PolarHBondContact O-N 3.2Å; W160-R163 WeakPolarHBondContact O-CB 3.35Å; W160-R163 PolarHBondContact O-N 3.02Å; W160-I164 HydrophobicContact CD2-CD1 4.47Å; W160-I164 HydrophobicContact CD2-CG1 4.25Å; W160-I164 HydrophobicContact CE3-CG1 4.47Å; W160-I164 HydrophobicContact CH2-CD1 4.38Å; W160-I164 HydrophobicContact CH2-CG1 4.12Å; W160-I164 HydrophobicContact CZ2-CD1 3.7Å; W160-I164 HydrophobicContact CZ2-CG1 3.9Å; W160-I164 HydrophobicContact CZ3-CG1 4.42Å; W160-I164 PolarHBondContact O-N 3.4Å; W160-L186 HydrophobicContact CH2-CD2 3.83Å; W160-L186 HydrophobicContact CZ3-CD1 4.19Å; W160-L186 HydrophobicContact CZ3-CD2 3.87Å; W160-R249 HydrophobicContact CH2-CB 3.67Å; W160-R249 HydrophobicContact CZ2-CB 3.51Å; W160-L253 HydrophobicContact CH2-CB 4.16Å; W160-L253 HydrophobicContact CH2-CD2 4.04Å; W160-L253 HydrophobicContact CZ3-CB 4.21Å; W160-L253 HydrophobicContact CZ3-CD1 4.32Å; W160-L253 HydrophobicContact CZ3-CD2 3.78Å; W160-L253 HydrophobicContact CZ3-CG 4.33Å
161	A	98.3	Very high	95	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-41.2	-177.3	0	0	0	0	0	111.9	L157 V158 R163 I164 F167 L179 L253	L157-A161 WeakPolarHBondContact O-CB 3.48Å; L157-A161 PolarHBondContact O-N 3.19Å; V158-A161 PolarHBondContact O-N 3.13Å; A161-R163 PolarHBondContact O-N 2.9Å; A161-R163 VanDerWaalsContact O-N 3.16Å; A161-I164 WeakPolarHBondContact O-CB 3.45Å; A161-I164 PolarHBondContact O-N 3.41Å; A161-F167 VanDerWaalsContact C-CD1 3.44Å; A161-F167 HydrophobicContact CB-CD1 3.83Å; A161-F167 HydrophobicContact CB-CE1 3.62Å; A161-F167 HydrophobicContact CB-CE2 4.47Å; A161-F167 HydrophobicContact CB-CG 4.33Å; A161-F167 HydrophobicContact CB-CZ 3.97Å; A161-F167 VanDerWaalsContact O-CB 3.27Å; A161-F167 WeakPolarHBondContact O-CB 3.34Å; A161-F167 WeakPolarHBondContact O-CD1 3.5Å; A161-F167 WeakPolarHBondContact O-CG 3.34Å; A161-L179 HydrophobicContact CB-CD2 3.83Å; A161-L253 HydrophobicContact CB-CD1 4.36Å; A161-L253 HydrophobicContact CB-CD2 4.19Å
162	K	97.1	Very high	95.3	Very high	121 Å²	121	52.1 Å²	52.1	53%	0.526	26%	0.26	S	S	.	.	H	α-helix	trans	-60	-24.4	175.1	-75.1	178.2	177	-179.8	0	114.3	V158 W160 S168	V158-K162 HydrophobicContact CG1-CD 4.45Å; V158-K162 WeakPolarHBondContact O-CG 3.43Å; V158-K162 PolarHBondContact O-N 2.9Å; W160-K162 VanDerWaalsContact C-N 3.32Å; W160-K162 PolarHBondContact O-N 3.2Å; K162-S168 PolarHBondContact O-OG 3.45Å
163	R	97.8	Very high	95.7	Very high	108 Å²	108	54.3 Å²	54.3	41%	0.408	27%	0.272	S	S	.	.	H	α-helix	trans	-88.3	-15.5	177.6	-68.8	172.5	173.5	85	-10.2	112.9	A119 E159 W160 A161	A119-R163 HydrophobicContact CB-CB 3.61Å; E159-R163 WeakPolarHBondContact O-CG 3.32Å; E159-R163 PolarHBondContact O-NH1 3.21Å; E159-R163 IonicContact OE2-NH1 2.64Å; E159-R163 IonicContact OE2-NH2 2.88Å; W160-R163 WeakPolarHBondContact O-CB 3.35Å; W160-R163 PolarHBondContact O-N 3.02Å; A161-R163 PolarHBondContact O-N 2.9Å; A161-R163 VanDerWaalsContact O-N 3.16Å
164	I	98.3	Very high	95.9	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	27%	0.269	C	S	.	.	S	Bend	trans	-68.5	131.6	173.8	-61.2	-59	0	0	0	108.9	I116 A119 W160 A161 H166 F167 A250 L253 F254	I116-I164 HydrophobicContact CG1-CD1 4.47Å; I116-I164 HydrophobicContact CG2-CD1 4.42Å; A119-I164 HydrophobicContact CB-CD1 3.83Å; W160-I164 HydrophobicContact CD2-CD1 4.47Å; W160-I164 HydrophobicContact CD2-CG1 4.25Å; W160-I164 HydrophobicContact CE3-CG1 4.47Å; W160-I164 HydrophobicContact CH2-CD1 4.38Å; W160-I164 HydrophobicContact CH2-CG1 4.12Å; W160-I164 HydrophobicContact CZ2-CD1 3.7Å; W160-I164 HydrophobicContact CZ2-CG1 3.9Å; W160-I164 HydrophobicContact CZ3-CG1 4.42Å; W160-I164 PolarHBondContact O-N 3.4Å; A161-I164 WeakPolarHBondContact O-CB 3.45Å; A161-I164 PolarHBondContact O-N 3.41Å; I164-H166 PolarHBondContact O-N 3.07Å; I164-F167 HydrophobicContact CB-CB 4.31Å; I164-F167 PolarHBondContact O-N 3.45Å; I164-A250 HydrophobicContact CG2-CB 4.42Å; I164-L253 HydrophobicContact CB-CD2 4.36Å; I164-L253 HydrophobicContact CG1-CD2 4.25Å; I164-L253 HydrophobicContact CG2-CD2 4.36Å; I164-F254 HydrophobicContact CG2-CE2 3.73Å; I164-F254 HydrophobicContact CG2-CZ 3.83Å
165	P	97.1	Very high	96.3	Very high	20 Å²	20	54.4 Å²	54.4	13%	0.13	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	138.6	179.8	-24.8	32.7	0	0	0	112.1	M111 P112 R115 F167	M111-P165 HydrophobicContact CE-CB 4.31Å; M111-P165 HydrophobicContact SD-CB 3.71Å; M111-P165 HydrophobicContact SD-CG 3.87Å; P112-P165 HydrophobicContact CG-CG 4.34Å; R115-P165 HydrophobicContact CB-CG 3.81Å; P165-F167 PolarHBondContact O-N 2.88Å
166	H	96.9	Very high	96.6	Very high	48 Å²	48	52.2 Å²	52.2	22%	0.222	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	-6.7	-180	-52.1	-63	0	0	0	118.1	D110 I164 S168 D169 L270	D110-H166 PolarHBondContact O-CD2 3Å; D110-H166 PolarHBondContact O-NE2 3.37Å; D110-H166 IonicContact OD1-CE1 3.2Å; D110-H166 PolarHBondContact OD1-CE1 3.32Å; D110-H166 IonicContact OD1-NE2 2.77Å; D110-H166 PolarHBondContact OD1-NE2 2.78Å; D110-H166 VanDerWaalsContact OD1-NE2 3.13Å; D110-H166 IonicContact OD2-NE2 3.79Å; I164-H166 PolarHBondContact O-N 3.07Å; H166-S168 VanDerWaalsContact C-N 3.29Å; H166-S168 PolarHBondContact O-N 3.29Å; H166-D169 WeakPolarHBondContact CA-OD2 3.34Å; H166-D169 IonicContact CG-OD2 3.72Å; H166-D169 IonicContact ND1-OD2 3.44Å; H166-D169 PolarHBondContact ND1-OD2 3.09Å; H166-D169 WeakPolarHBondContact O-CB 3.49Å; H166-D169 PolarHBondContact O-N 3.34Å; H166-D169 VanDerWaalsContact O-N 3.12Å; H166-L270 HydrophobicContact CB-CD1 4.18Å; H166-L270 HydrophobicContact CB-CD2 3.6Å
167	F	98.2	Very high	96.8	Very high	1 Å²	1	52 Å²	52	0%	0.004	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-62	-41	178.2	-179.7	-98.7	0	0	0	111.9	A161 I164 P165 D169 L170 Q175 L178 L179 L253 F254	A161-F167 VanDerWaalsContact C-CD1 3.44Å; A161-F167 HydrophobicContact CB-CD1 3.83Å; A161-F167 HydrophobicContact CB-CE1 3.62Å; A161-F167 HydrophobicContact CB-CE2 4.47Å; A161-F167 HydrophobicContact CB-CG 4.33Å; A161-F167 HydrophobicContact CB-CZ 3.97Å; A161-F167 VanDerWaalsContact O-CB 3.27Å; A161-F167 WeakPolarHBondContact O-CB 3.34Å; A161-F167 WeakPolarHBondContact O-CD1 3.5Å; A161-F167 WeakPolarHBondContact O-CG 3.34Å; I164-F167 HydrophobicContact CB-CB 4.31Å; I164-F167 PolarHBondContact O-N 3.45Å; P165-F167 PolarHBondContact O-N 2.88Å; F167-D169 PolarHBondContact O-N 3.33Å; F167-L170 HydrophobicContact CD2-CD1 4.42Å; F167-L170 WeakPolarHBondContact O-CB 3.35Å; F167-L170 PolarHBondContact O-N 2.99Å; F167-Q175 HydrophobicContact CD1-CG 4.28Å; F167-Q175 HydrophobicContact CE1-CB 3.93Å; F167-Q175 HydrophobicContact CE1-CG 3.77Å; F167-Q175 HydrophobicContact CE2-CB 4.31Å; F167-Q175 HydrophobicContact CE2-CG 4.22Å; F167-Q175 HydrophobicContact CZ-CB 3.6Å; F167-Q175 HydrophobicContact CZ-CG 3.75Å; F167-Q175 WeakPolarHBondContact O-CG 3.22Å; F167-Q175 PolarHBondContact O-NE2 3.38Å; F167-L178 HydrophobicContact CE2-CB 4.35Å; F167-L178 HydrophobicContact CE2-CD1 4.18Å; F167-L179 HydrophobicContact CE1-CD1 4.35Å; F167-L179 HydrophobicContact CZ-CD1 3.94Å; F167-L179 HydrophobicContact CZ-CG 3.94Å; F167-L253 HydrophobicContact CD2-CD1 4.25Å; F167-L253 HydrophobicContact CD2-CD2 3.71Å; F167-L253 HydrophobicContact CD2-CG 4.08Å; F167-L253 HydrophobicContact CE2-CD1 3.79Å; F167-L253 HydrophobicContact CE2-CD2 4.11Å; F167-L253 HydrophobicContact CE2-CG 4.09Å; F167-L253 HydrophobicContact CG-CD2 4.24Å; F167-L253 HydrophobicContact CZ-CD1 4.41Å; F167-F254 HydrophobicContact CB-CE1 4.28Å; F167-F254 HydrophobicContact CB-CZ 4.18Å; F167-F254 HydrophobicContact CD2-CE1 4Å
168	S	96.9	Very high	96.9	Very high	60 Å²	60	51.7 Å²	51.7	42%	0.42	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-73	-12.2	178.8	-60.5	0	0	0	0	113.7	K162 H166 Q175	K162-S168 PolarHBondContact O-OG 3.45Å; H166-S168 VanDerWaalsContact C-N 3.29Å; H166-S168 PolarHBondContact O-N 3.29Å; S168-Q175 PolarHBondContact O-NE2 3.02Å
169	D	95.6	Very high	96.9	Very high	116 Å²	116	50.4 Å²	50.4	62%	0.62	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-82.4	-24	178.1	-57.5	-21.6	0	0	0	111.4	H166 F167	H166-D169 WeakPolarHBondContact CA-OD2 3.34Å; H166-D169 IonicContact CG-OD2 3.72Å; H166-D169 IonicContact ND1-OD2 3.44Å; H166-D169 PolarHBondContact ND1-OD2 3.09Å; H166-D169 WeakPolarHBondContact O-CB 3.49Å; H166-D169 PolarHBondContact O-N 3.34Å; H166-D169 VanDerWaalsContact O-N 3.12Å; F167-D169 PolarHBondContact O-N 3.33Å
170	L	96	Very high	96.9	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.042	25%	0.245	C	C	.	.	S	Bend	trans	-64	158	173.8	-62.1	176.8	0	0	0	111.4	F167 D174 Q175 L178 F254 E266 V267 L270	F167-L170 HydrophobicContact CD2-CD1 4.42Å; F167-L170 WeakPolarHBondContact O-CB 3.35Å; F167-L170 PolarHBondContact O-N 2.99Å; L170-D174 HydrophobicContact CB-CB 4.5Å; L170-Q175 HydrophobicContact CB-CG 4.11Å; L170-Q175 PolarHBondContact O-NE2 2.96Å; L170-L178 HydrophobicContact CD1-CD1 3.63Å; L170-F254 HydrophobicContact CD1-CD1 4.45Å; L170-F254 HydrophobicContact CD1-CE1 4.15Å; L170-E266 HydrophobicContact CD2-CG 3.97Å; L170-V267 HydrophobicContact CD1-CG2 4.46Å; L170-L270 HydrophobicContact CD1-CD1 4.18Å; L170-L270 HydrophobicContact CD2-CD1 3.96Å; L170-L270 HydrophobicContact CG-CD1 4.22Å
171	T	96.8	Very high	96.7	Very high	69 Å²	69	50.7 Å²	50.7	42%	0.423	26%	0.261	S	S	.	.			trans	-59.2	147	173.9	74.3	0	0	0	0	111	E173 D174 Q175	T171-E173 PolarHBondContact O-N 3.25Å; T171-D174 PolarHBondContact O-N 3.13Å; T171-D174 VanDerWaalsContact O-N 3.11Å; T171-D174 WeakPolarHBondContact OG1-CB 3.25Å; T171-D174 PolarHBondContact OG1-N 3.47Å; T171-D174 VanDerWaalsContact OG1-N 3.15Å; T171-D174 PolarHBondContact OG1-OD2 3.3Å; T171-Q175 WeakPolarHBondContact O-CG 3.38Å; T171-Q175 PolarHBondContact O-N 3.29Å
172	L	95.5	Very high	96.7	Very high	133 Å²	133	50.8 Å²	50.8	70%	0.696	26%	0.262	S	S	*	.	H	α-helix	trans	-58.5	-34.2	179	-173.9	67.4	0	0	0	112	Q175 V176	L172-Q175 PolarHBondContact O-N 3.5Å; L172-V176 WeakPolarHBondContact O-CG2 3.42Å; L172-V176 PolarHBondContact O-N 3.42Å; L172-V176 VanDerWaalsContact O-N 3.11Å
173	E	95.4	Very high	96.7	Very high	134 Å²	134	45.6 Å²	45.6	63%	0.626	24%	0.239	S	C	*	.	H	α-helix	trans	-63	-48.3	175.5	-174.9	171.3	-168.4	0	0	111.3	T171 Q175 V176 I177	T171-E173 PolarHBondContact O-N 3.25Å; E173-Q175 PolarHBondContact O-N 2.91Å; E173-V176 PolarHBondContact O-N 3.5Å; E173-I177 HydrophobicContact CG-CD1 4.02Å; E173-I177 VanDerWaalsContact O-CG1 3.31Å; E173-I177 WeakPolarHBondContact O-CG1 3.41Å; E173-I177 PolarHBondContact O-N 3.33Å
174	D	96.9	Very high	96.6	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.011	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-40.7	176.9	-66.5	-34.3	0	0	0	111.8	L170 T171 V176 I177 L178 L261 S262	L170-D174 HydrophobicContact CB-CB 4.5Å; T171-D174 PolarHBondContact O-N 3.13Å; T171-D174 VanDerWaalsContact O-N 3.11Å; T171-D174 WeakPolarHBondContact OG1-CB 3.25Å; T171-D174 PolarHBondContact OG1-N 3.47Å; T171-D174 VanDerWaalsContact OG1-N 3.15Å; T171-D174 PolarHBondContact OG1-OD2 3.3Å; D174-V176 VanDerWaalsContact C-N 3.3Å; D174-V176 PolarHBondContact O-N 2.87Å; D174-I177 PolarHBondContact O-N 2.94Å; D174-L178 WeakPolarHBondContact O-CB 3.46Å; D174-L178 VanDerWaalsContact O-CG 3.22Å; D174-L178 WeakPolarHBondContact O-CG 3.36Å; D174-L178 PolarHBondContact O-N 2.85Å; D174-L261 HydrophobicContact CB-CD2 3.83Å; D174-L261 VanDerWaalsContact OD1-CA 3.25Å; D174-L261 WeakPolarHBondContact OD1-CA 3.08Å; D174-L261 WeakPolarHBondContact OD1-CD2 3.49Å; D174-S262 PolarHBondContact OD1-N 3.07Å; D174-S262 PolarHBondContact OD2-OG 3.03Å
175	Q	98	Very high	96.6	Very high	22 Å²	22	41.1 Å²	41.1	10%	0.103	22%	0.223	C	C	.	.	H	α-helix	trans	-56.4	-44.8	175.5	-70.1	179.7	41.7	0	0	111.6	F167 S168 L170 T171 L172 E173 L179	F167-Q175 HydrophobicContact CD1-CG 4.28Å; F167-Q175 HydrophobicContact CE1-CB 3.93Å; F167-Q175 HydrophobicContact CE1-CG 3.77Å; F167-Q175 HydrophobicContact CE2-CB 4.31Å; F167-Q175 HydrophobicContact CE2-CG 4.22Å; F167-Q175 HydrophobicContact CZ-CB 3.6Å; F167-Q175 HydrophobicContact CZ-CG 3.75Å; F167-Q175 WeakPolarHBondContact O-CG 3.22Å; F167-Q175 PolarHBondContact O-NE2 3.38Å; S168-Q175 PolarHBondContact O-NE2 3.02Å; L170-Q175 HydrophobicContact CB-CG 4.11Å; L170-Q175 PolarHBondContact O-NE2 2.96Å; T171-Q175 WeakPolarHBondContact O-CG 3.38Å; T171-Q175 PolarHBondContact O-N 3.29Å; L172-Q175 PolarHBondContact O-N 3.5Å; E173-Q175 PolarHBondContact O-N 2.91Å; Q175-L179 WeakPolarHBondContact O-CB 3.48Å; Q175-L179 WeakPolarHBondContact O-CG 3.37Å; Q175-L179 PolarHBondContact O-N 2.8Å; Q175-L179 VanDerWaalsContact O-N 3.1Å
176	V	96.1	Very high	96.7	Very high	69 Å²	69	40.1 Å²	40.1	42%	0.418	22%	0.217	S	C	.	.	H	α-helix	trans	-65.9	-43.4	177.4	171	0	0	0	0	111.2	L172 E173 D174 L179 R180	L172-V176 WeakPolarHBondContact O-CG2 3.42Å; L172-V176 PolarHBondContact O-N 3.42Å; L172-V176 VanDerWaalsContact O-N 3.11Å; E173-V176 PolarHBondContact O-N 3.5Å; D174-V176 VanDerWaalsContact C-N 3.3Å; D174-V176 PolarHBondContact O-N 2.87Å; V176-L179 PolarHBondContact O-N 2.66Å; V176-R180 HydrophobicContact CG1-CG 4.32Å; V176-R180 VanDerWaalsContact O-CB 3.31Å; V176-R180 WeakPolarHBondContact O-CB 3.49Å; V176-R180 WeakPolarHBondContact O-CG 3.32Å; V176-R180 PolarHBondContact O-N 3.13Å
177	I	96.4	Very high	96.7	Very high	31 Å²	31	38.6 Å²	38.6	16%	0.159	21%	0.21	C	C	.	.	H	α-helix	trans	-60.2	-46.9	178.3	-71.6	166.4	0	0	0	111	E173 D174 R180 A181 A258 G260 L261	E173-I177 HydrophobicContact CG-CD1 4.02Å; E173-I177 VanDerWaalsContact O-CG1 3.31Å; E173-I177 WeakPolarHBondContact O-CG1 3.41Å; E173-I177 PolarHBondContact O-N 3.33Å; D174-I177 PolarHBondContact O-N 2.94Å; I177-R180 PolarHBondContact O-N 3.02Å; I177-A181 VanDerWaalsContact O-CB 3.27Å; I177-A181 WeakPolarHBondContact O-CB 3.23Å; I177-A181 PolarHBondContact O-N 3.06Å; I177-A258 HydrophobicContact CG2-CB 3.7Å; I177-G260 VanDerWaalsContact CD1-C 3.46Å; I177-G260 VanDerWaalsContact CD1-O 3.28Å; I177-G260 WeakPolarHBondContact CD1-O 3.3Å; I177-L261 HydrophobicContact CB-CD2 4.21Å; I177-L261 HydrophobicContact CG2-CD2 3.82Å; I177-L261 HydrophobicContact CG2-CG 4.1Å
178	L	98.1	Very high	96.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-44.7	-179.3	-67.5	172.4	0	0	0	111.8	F167 L170 D174 A181 G182 L253 N255 A258 L261 V267	F167-L178 HydrophobicContact CE2-CB 4.35Å; F167-L178 HydrophobicContact CE2-CD1 4.18Å; L170-L178 HydrophobicContact CD1-CD1 3.63Å; D174-L178 WeakPolarHBondContact O-CB 3.46Å; D174-L178 VanDerWaalsContact O-CG 3.22Å; D174-L178 WeakPolarHBondContact O-CG 3.36Å; D174-L178 PolarHBondContact O-N 2.85Å; L178-A181 PolarHBondContact O-N 2.99Å; L178-G182 PolarHBondContact O-N 3.46Å; L178-L253 WeakPolarHBondContact CD2-O 3.36Å; L178-N255 HydrophobicContact CD2-CB 4.39Å; L178-N255 WeakPolarHBondContact CD2-O 3.06Å; L178-A258 HydrophobicContact CD2-CB 4.27Å; L178-L261 HydrophobicContact CD2-CD1 4.25Å; L178-L261 HydrophobicContact CD2-CD2 3.99Å; L178-L261 HydrophobicContact CG-CD2 4.04Å; L178-V267 HydrophobicContact CD1-CG1 4.39Å; L178-V267 HydrophobicContact CD1-CG2 4.24Å; L178-V267 HydrophobicContact CD2-CG1 3.9Å
179	L	97.1	Very high	96.8	Very high	19 Å²	19	36.3 Å²	36.3	10%	0.099	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-45.2	175.7	-74.5	168.2	0	0	0	111.6	L157 V158 A161 F167 Q175 V176 A181 G182 W183 L253	L157-L179 HydrophobicContact CD2-CD2 4.46Å; L157-L179 HydrophobicContact CG-CD2 4.28Å; V158-L179 HydrophobicContact CG2-CD1 4.25Å; A161-L179 HydrophobicContact CB-CD2 3.83Å; F167-L179 HydrophobicContact CE1-CD1 4.35Å; F167-L179 HydrophobicContact CZ-CD1 3.94Å; F167-L179 HydrophobicContact CZ-CG 3.94Å; Q175-L179 WeakPolarHBondContact O-CB 3.48Å; Q175-L179 WeakPolarHBondContact O-CG 3.37Å; Q175-L179 PolarHBondContact O-N 2.8Å; Q175-L179 VanDerWaalsContact O-N 3.1Å; V176-L179 PolarHBondContact O-N 2.66Å; L179-A181 VanDerWaalsContact C-N 3.29Å; L179-A181 PolarHBondContact O-N 3.45Å; L179-G182 PolarHBondContact O-N 3.2Å; L179-W183 VanDerWaalsContact O-CB 3.31Å; L179-W183 WeakPolarHBondContact O-CB 3.33Å; L179-W183 PolarHBondContact O-N 3.13Å; L179-L253 HydrophobicContact CD2-CD1 4.05Å
180	R	93.9	Very high	96.9	Very high	62 Å²	62	31.7 Å²	31.7	23%	0.234	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-34.6	175.8	-77.9	179.1	169.1	-96.7	-1.5	112.9	V176 I177 W183 E331 M332 E334	V176-R180 HydrophobicContact CG1-CG 4.32Å; V176-R180 VanDerWaalsContact O-CB 3.31Å; V176-R180 WeakPolarHBondContact O-CB 3.49Å; V176-R180 WeakPolarHBondContact O-CG 3.32Å; V176-R180 PolarHBondContact O-N 3.13Å; I177-R180 PolarHBondContact O-N 3.02Å; R180-W183 VanDerWaalsContact O-CD1 3.31Å; R180-E331 IonicContact CZ-OE1 3.41Å; R180-E331 PolarHBondContact NH1-O 2.89Å; R180-E331 PolarHBondContact NH2-O 2.89Å; R180-E331 IonicContact NH2-OE1 3.1Å; R180-E331 PolarHBondContact NH2-OE1 3.24Å; R180-M332 HydrophobicContact CB-CE 4.37Å; R180-M332 HydrophobicContact CG-CE 3.92Å; R180-M332 HydrophobicContact CG-SD 3.94Å; R180-E334 PolarHBondContact NH1-O 3.17Å; R180-E334 VanDerWaalsContact NH1-O 3.17Å
181	A	95.3	Very high	96.9	Very high	39 Å²	39	33 Å²	33	32%	0.322	18%	0.176	S	C	.	.	H	α-helix	trans	-75.8	-28.9	179.1	0	0	0	0	0	113.5	I177 L178 L179 A258	I177-A181 VanDerWaalsContact O-CB 3.27Å; I177-A181 WeakPolarHBondContact O-CB 3.23Å; I177-A181 PolarHBondContact O-N 3.06Å; L178-A181 PolarHBondContact O-N 2.99Å; L179-A181 VanDerWaalsContact C-N 3.29Å; L179-A181 PolarHBondContact O-N 3.45Å; A181-A258 HydrophobicContact CB-CB 3.95Å
182	G	96.8	Very high	96.9	Very high	3 Å²	3	29.7 Å²	29.7	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-116.9	-8.4	-169.2	0	0	0	0	0	116.7	L178 L179 N184 E185 L186	L178-G182 PolarHBondContact O-N 3.46Å; L179-G182 PolarHBondContact O-N 3.2Å; G182-N184 VanDerWaalsContact C-N 3.29Å; G182-N184 PolarHBondContact O-N 3.12Å; G182-N184 VanDerWaalsContact O-N 3.14Å; G182-E185 PolarHBondContact O-N 3.2Å; G182-E185 VanDerWaalsContact O-N 3.15Å; G182-L186 VanDerWaalsContact O-CG 3.23Å; G182-L186 WeakPolarHBondContact O-CG 3.45Å; G182-L186 PolarHBondContact O-N 3.38Å
183	W	96.8	Very high	97	Very high	11 Å²	11	24.5 Å²	24.5	4%	0.042	13%	0.128	C	C	.	.	H	α-helix	trans	-52.9	-42.7	-168.4	70.3	-86.3	0	0	0	114.2	L154 L157 L179 R180 L186 L187 L311 L314 L329 M332 L333	L154-W183 HydrophobicContact CD2-CB 3.88Å; L154-W183 HydrophobicContact CD2-CD2 4.02Å; L154-W183 HydrophobicContact CD2-CE3 3.67Å; L154-W183 HydrophobicContact CD2-CG 4.14Å; L157-W183 HydrophobicContact CD2-CB 3.82Å; L179-W183 VanDerWaalsContact O-CB 3.31Å; L179-W183 WeakPolarHBondContact O-CB 3.33Å; L179-W183 PolarHBondContact O-N 3.13Å; R180-W183 VanDerWaalsContact O-CD1 3.31Å; W183-L186 PolarHBondContact O-N 2.87Å; W183-L187 HydrophobicContact CE3-CD1 3.86Å; W183-L187 HydrophobicContact CZ3-CD1 4.16Å; W183-L187 WeakPolarHBondContact O-CB 3.15Å; W183-L187 VanDerWaalsContact O-CG 3.31Å; W183-L187 WeakPolarHBondContact O-CG 3.45Å; W183-L187 PolarHBondContact O-N 3.48Å; W183-L311 HydrophobicContact CH2-CD2 4.45Å; W183-L311 HydrophobicContact CZ2-CD2 3.7Å; W183-L314 HydrophobicContact CH2-CD1 3.73Å; W183-L314 HydrophobicContact CZ2-CD1 4.36Å; W183-L329 HydrophobicContact CE3-CD1 4.49Å; W183-L329 HydrophobicContact CH2-CD1 3.36Å; W183-L329 HydrophobicContact CZ2-CD1 4.07Å; W183-L329 HydrophobicContact CZ3-CD1 3.61Å; W183-M332 HydrophobicContact CB-CE 3.7Å; W183-M332 VanDerWaalsContact CD1-CE 3.4Å; W183-M332 HydrophobicContact CD2-CE 4.47Å; W183-M332 HydrophobicContact CG-CE 3.57Å; W183-L333 HydrophobicContact CZ2-CD2 4.2Å
184	N	96.4	Very high	97.1	Very high	8 Å²	8	20.4 Å²	20.4	4%	0.043	11%	0.106	C	C	.	.	H	α-helix	trans	-65.7	-46.6	-177.5	61.7	-40.9	0	0	0	111	G182 L186 L187 I188 G307 L311	G182-N184 VanDerWaalsContact C-N 3.29Å; G182-N184 PolarHBondContact O-N 3.12Å; G182-N184 VanDerWaalsContact O-N 3.14Å; N184-L186 VanDerWaalsContact C-N 3.35Å; N184-L187 PolarHBondContact O-N 3.38Å; N184-I188 WeakPolarHBondContact O-CB 3.27Å; N184-I188 WeakPolarHBondContact O-CD1 3.38Å; N184-I188 WeakPolarHBondContact O-CG1 3.31Å; N184-I188 PolarHBondContact O-N 2.91Å; N184-G307 VanDerWaalsContact ND2-C 3.28Å; N184-G307 PolarHBondContact ND2-O 3.46Å; N184-L311 HydrophobicContact CB-CD2 4.24Å; N184-L311 HydrophobicContact CB-CG 4.43Å; N184-L311 WeakPolarHBondContact ND2-CD1 3.42Å; N184-L311 WeakPolarHBondContact ND2-CG 3.29Å
185	E	98.4	Very high	97.1	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.037	11%	0.106	C	C	.	.	H	α-helix	trans	-64.7	-40	176.9	-74.7	170.1	-142	0	0	111.6	G182 I188 A189 V252 L303 R304	G182-E185 PolarHBondContact O-N 3.2Å; G182-E185 VanDerWaalsContact O-N 3.15Å; E185-I188 PolarHBondContact O-N 2.81Å; E185-A189 WeakPolarHBondContact O-CB 3.34Å; E185-A189 PolarHBondContact O-N 3.44Å; E185-V252 HydrophobicContact CB-CG1 3.72Å; E185-L303 HydrophobicContact CB-CD2 4.26Å; E185-L303 HydrophobicContact CB-CG 4.15Å; E185-L303 HydrophobicContact CG-CG 4.21Å; E185-R304 VanDerWaalsContact CD-NE 3.27Å; E185-R304 VanDerWaalsContact OE1-CD 3.25Å; E185-R304 WeakPolarHBondContact OE1-CD 3.5Å; E185-R304 IonicContact OE1-CZ 2.69Å; E185-R304 IonicContact OE1-NE 3.52Å; E185-R304 PolarHBondContact OE1-NE 3.01Å; E185-R304 IonicContact OE1-NH2 3.62Å; E185-R304 PolarHBondContact OE1-NH2 3.18Å; E185-R304 IonicContact OE2-CZ 3.83Å; E185-R304 IonicContact OE2-NE 3.74Å; E185-R304 PolarHBondContact OE2-NE 3.31Å; E185-R304 VanDerWaalsContact OE2-NE 3.14Å; E185-R304 IonicContact OE2-NH2 3.44Å; E185-R304 PolarHBondContact OE2-NH2 3Å; E185-R304 VanDerWaalsContact OE2-NH2 3.1Å
186	L	98.5	Very high	97	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.1	-45.6	177.7	-66.9	167	0	0	0	111.7	L157 W160 G182 W183 N184 S190 R249 V252 L253	L157-L186 HydrophobicContact CD1-CB 3.72Å; L157-L186 HydrophobicContact CD1-CD1 3.99Å; L157-L186 HydrophobicContact CD1-CG 4.39Å; L157-L186 HydrophobicContact CD2-CB 4.18Å; L157-L186 HydrophobicContact CD2-CD1 4.14Å; L157-L186 HydrophobicContact CG-CD1 4.48Å; W160-L186 HydrophobicContact CH2-CD2 3.83Å; W160-L186 HydrophobicContact CZ3-CD1 4.19Å; W160-L186 HydrophobicContact CZ3-CD2 3.87Å; G182-L186 VanDerWaalsContact O-CG 3.23Å; G182-L186 WeakPolarHBondContact O-CG 3.45Å; G182-L186 PolarHBondContact O-N 3.38Å; W183-L186 PolarHBondContact O-N 2.87Å; N184-L186 VanDerWaalsContact C-N 3.35Å; L186-S190 WeakPolarHBondContact O-CB 3.41Å; L186-S190 PolarHBondContact O-N 2.94Å; L186-S190 VanDerWaalsContact O-N 3.12Å; L186-R249 HydrophobicContact CD2-CB 3.82Å; L186-R249 HydrophobicContact CD2-CG 4.28Å; L186-R249 WeakPolarHBondContact CD2-O 3.47Å; L186-V252 HydrophobicContact CD2-CB 4.02Å; L186-V252 HydrophobicContact CD2-CG1 3.93Å; L186-V252 HydrophobicContact CG-CG1 3.98Å; L186-L253 HydrophobicContact CD1-CD1 4.17Å; L186-L253 HydrophobicContact CD2-CB 4.42Å
187	L	97.4	Very high	96.9	Very high	15 Å²	15	22.7 Å²	22.7	8%	0.079	13%	0.127	C	C	.	.	H	α-helix	trans	-66.9	-43.2	176.2	-68.6	-173.3	0	0	0	111.8	A150 Q153 L154 L157 W183 N184 S190 F191	A150-L187 HydrophobicContact CB-CD1 4.05Å; Q153-L187 HydrophobicContact CB-CD2 3.62Å; L154-L187 HydrophobicContact CD2-CD1 4.06Å; L154-L187 HydrophobicContact CG-CD1 4.26Å; L157-L187 HydrophobicContact CB-CD2 4.43Å; L157-L187 HydrophobicContact CD2-CD2 4.49Å; W183-L187 HydrophobicContact CE3-CD1 3.86Å; W183-L187 HydrophobicContact CZ3-CD1 4.16Å; W183-L187 WeakPolarHBondContact O-CB 3.15Å; W183-L187 VanDerWaalsContact O-CG 3.31Å; W183-L187 WeakPolarHBondContact O-CG 3.45Å; W183-L187 PolarHBondContact O-N 3.48Å; N184-L187 PolarHBondContact O-N 3.38Å; L187-S190 PolarHBondContact O-N 3.39Å; L187-F191 WeakPolarHBondContact O-CD1 3.3Å; L187-F191 PolarHBondContact O-N 2.9Å
188	I	98.3	Very high	96.7	Very high	10 Å²	10	22.6 Å²	22.6	5%	0.051	13%	0.127	C	C	.	.	H	α-helix	trans	-60.5	-46.7	178.3	-69.8	163.6	0	0	0	111.2	N184 E185 S190 F191 S192 L231 L303 I306 C310	N184-I188 WeakPolarHBondContact O-CB 3.27Å; N184-I188 WeakPolarHBondContact O-CD1 3.38Å; N184-I188 WeakPolarHBondContact O-CG1 3.31Å; N184-I188 PolarHBondContact O-N 2.91Å; E185-I188 PolarHBondContact O-N 2.81Å; I188-S190 VanDerWaalsContact C-N 3.33Å; I188-S190 PolarHBondContact O-N 3.22Å; I188-F191 VanDerWaalsContact CA-CE1 3.41Å; I188-F191 HydrophobicContact CB-CE1 4.07Å; I188-F191 HydrophobicContact CB-CZ 4.26Å; I188-F191 HydrophobicContact CG1-CE1 3.72Å; I188-F191 HydrophobicContact CG1-CZ 3.97Å; I188-F191 HydrophobicContact CG2-CZ 4.24Å; I188-S192 WeakPolarHBondContact O-CB 3.42Å; I188-S192 PolarHBondContact O-N 3.41Å; I188-S192 PolarHBondContact O-OG 2.72Å; I188-L231 HydrophobicContact CG2-CD1 3.49Å; I188-L231 VanDerWaalsContact CG2-CD1 3.49Å; I188-L303 HydrophobicContact CB-CD1 4.01Å; I188-L303 HydrophobicContact CG2-CD1 3.62Å; I188-I306 HydrophobicContact CD1-CG2 4.4Å; I188-I306 HydrophobicContact CG2-CG2 4.31Å; I188-C310 HydrophobicContact CD1-CB 4.11Å
189	A	98.4	Very high	96.4	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.033	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-45.1	176	0	0	0	0	0	111.5	E185 S192 H193 L245 R249 L303	E185-A189 WeakPolarHBondContact O-CB 3.34Å; E185-A189 PolarHBondContact O-N 3.44Å; A189-S192 PolarHBondContact O-N 2.84Å; A189-H193 PolarHBondContact O-N 3.15Å; A189-L245 HydrophobicContact CB-CD1 4.28Å; A189-R249 HydrophobicContact CB-CG 4.04Å; A189-L303 HydrophobicContact CB-CD1 4.31Å; A189-L303 HydrophobicContact CB-CD2 4Å
190	S	97.4	Very high	96.2	Very high	18 Å²	18	32.7 Å²	32.7	13%	0.126	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-53.7	-179.3	-179.9	0	0	0	0	112.9	L186 L187 I188 S192 H193 R194	L186-S190 WeakPolarHBondContact O-CB 3.41Å; L186-S190 PolarHBondContact O-N 2.94Å; L186-S190 VanDerWaalsContact O-N 3.12Å; L187-S190 PolarHBondContact O-N 3.39Å; I188-S190 VanDerWaalsContact C-N 3.33Å; I188-S190 PolarHBondContact O-N 3.22Å; S190-S192 VanDerWaalsContact C-N 3.31Å; S190-S192 PolarHBondContact O-N 3.14Å; S190-H193 PolarHBondContact O-N 2.7Å; S190-R194 PolarHBondContact O-N 3.4Å
191	F	96.3	Very high	96.2	Very high	35 Å²	35	29.9 Å²	29.9	15%	0.154	17%	0.167	C	C	.	.	H	α-helix	trans	-71.9	-27.7	-178.8	76.8	-114.4	0	0	0	112.4	L187 I188 R194 S195 I202 V227	L187-F191 WeakPolarHBondContact O-CD1 3.3Å; L187-F191 PolarHBondContact O-N 2.9Å; I188-F191 VanDerWaalsContact CA-CE1 3.41Å; I188-F191 HydrophobicContact CB-CE1 4.07Å; I188-F191 HydrophobicContact CB-CZ 4.26Å; I188-F191 HydrophobicContact CG1-CE1 3.72Å; I188-F191 HydrophobicContact CG1-CZ 3.97Å; I188-F191 HydrophobicContact CG2-CZ 4.24Å; F191-R194 PolarHBondContact O-N 2.96Å; F191-S195 WeakPolarHBondContact O-CB 3.44Å; F191-S195 PolarHBondContact O-N 3.35Å; F191-S195 VanDerWaalsContact O-N 3.08Å; F191-S195 PolarHBondContact O-OG 3.47Å; F191-I202 HydrophobicContact CD2-CB 4.42Å; F191-I202 HydrophobicContact CD2-CD1 4.12Å; F191-I202 HydrophobicContact CD2-CG2 4.38Å; F191-I202 HydrophobicContact CE2-CD1 3.9Å; F191-I202 HydrophobicContact CE2-CG2 4.33Å; F191-V227 HydrophobicContact CE2-CG1 3.88Å; F191-V227 HydrophobicContact CZ-CG1 4.45Å
192	S	98.1	Very high	96.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.3	-44.8	174.5	-63.1	0	0	0	0	110.9	I188 A189 S190 S195	I188-S192 WeakPolarHBondContact O-CB 3.42Å; I188-S192 PolarHBondContact O-N 3.41Å; I188-S192 PolarHBondContact O-OG 2.72Å; A189-S192 PolarHBondContact O-N 2.84Å; S190-S192 VanDerWaalsContact C-N 3.31Å; S190-S192 PolarHBondContact O-N 3.14Å; S192-S195 PolarHBondContact O-N 3.44Å
193	H	97.9	Very high	96.2	Very high	24 Å²	24	29.2 Å²	29.2	11%	0.111	16%	0.157	C	C	.	.	H	α-helix	trans	-67	-42.7	176.3	-174.9	-90.8	0	0	0	112.2	A189 S190 S195 V196 M235 M240 L245	A189-H193 PolarHBondContact O-N 3.15Å; S190-H193 PolarHBondContact O-N 2.7Å; H193-S195 PolarHBondContact O-N 3.35Å; H193-S195 VanDerWaalsContact O-N 3.08Å; H193-V196 VanDerWaalsContact O-CG1 3.25Å; H193-V196 WeakPolarHBondContact O-CG1 3.35Å; H193-V196 WeakPolarHBondContact O-CG2 3.38Å; H193-V196 PolarHBondContact O-N 2.69Å; H193-V196 VanDerWaalsContact O-N 3.16Å; H193-M235 HydrophobicContact CB-SD 3.9Å; H193-M240 PolarHBondContact NE2-O 3.21Å; H193-L245 HydrophobicContact CB-CD1 3.9Å; H193-L245 HydrophobicContact CB-CD2 3.57Å; H193-L245 HydrophobicContact CB-CG 4.29Å
194	R	95.7	Very high	96	Very high	48 Å²	48	28.9 Å²	28.9	18%	0.181	16%	0.156	C	C	.	.	H	α-helix	trans	-57.9	-25.5	173.9	-177.1	169.5	57.9	-106	1.3	113.1	S190 F191 L203	S190-R194 PolarHBondContact O-N 3.4Å; F191-R194 PolarHBondContact O-N 2.96Å; R194-L203 HydrophobicContact CG-CD2 4.27Å; R194-L203 PolarHBondContact NE-O 3.39Å; R194-L203 PolarHBondContact NH2-O 3.39Å; R194-L203 VanDerWaalsContact NH2-O 3.15Å
195	S	97.1	Very high	95.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	4.2	-176.5	-54.2	0	0	0	0	114.2	F191 S192 H193 S197 V198 I202 L203 V232	F191-S195 WeakPolarHBondContact O-CB 3.44Å; F191-S195 PolarHBondContact O-N 3.35Å; F191-S195 VanDerWaalsContact O-N 3.08Å; F191-S195 PolarHBondContact O-OG 3.47Å; S192-S195 PolarHBondContact O-N 3.44Å; H193-S195 PolarHBondContact O-N 3.35Å; H193-S195 VanDerWaalsContact O-N 3.08Å; S195-S197 PolarHBondContact O-N 3.05Å; S195-S197 VanDerWaalsContact O-N 3.16Å; S195-V198 WeakPolarHBondContact O-CB 3.28Å; S195-V198 PolarHBondContact O-N 3.32Å; S195-I202 VanDerWaalsContact OG-CA 3.29Å; S195-I202 WeakPolarHBondContact OG-CA 3.4Å; S195-I202 WeakPolarHBondContact OG-CB 3.44Å; S195-L203 PolarHBondContact OG-N 3.31Å; S195-V232 WeakPolarHBondContact O-CG1 3.36Å
196	V	96.6	Very high	95.2	Very high	37 Å²	37	29.7 Å²	29.7	22%	0.224	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.4	-176	-66.7	0	0	0	0	114.2	H193 M235 K236	H193-V196 VanDerWaalsContact O-CG1 3.25Å; H193-V196 WeakPolarHBondContact O-CG1 3.35Å; H193-V196 WeakPolarHBondContact O-CG2 3.38Å; H193-V196 PolarHBondContact O-N 2.69Å; H193-V196 VanDerWaalsContact O-N 3.16Å; V196-M235 HydrophobicContact CG1-CB 3.76Å; V196-K236 HydrophobicContact CB-CB 4.22Å; V196-K236 HydrophobicContact CG1-CB 4.43Å; V196-K236 WeakPolarHBondContact O-CD 3.46Å
197	S	93.4	Very high	94.6	Very high	105 Å²	105	30.9 Å²	30.9	73%	0.734	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-9.6	176	55.1	0	0	0	0	113.6	S195	S195-S197 PolarHBondContact O-N 3.05Å; S195-S197 VanDerWaalsContact O-N 3.16Å
198	V	92.9	Very high	94.3	Very high	28 Å²	28	33.3 Å²	33.3	17%	0.17	19%	0.187	C	C	.	.	S	Bend	trans	-85.6	133.7	-178.2	-175.9	0	0	0	0	109.5	S195 L203	S195-V198 WeakPolarHBondContact O-CB 3.28Å; S195-V198 PolarHBondContact O-N 3.32Å; V198-L203 HydrophobicContact CG2-CB 3.98Å
199	Q	90.9	Very high	94	Very high	159 Å²	159	39 Å²	39	74%	0.743	21%	0.214	S	C	*	.	S	Bend	trans	-88.3	132.2	175.5	-177	172.1	-7.7	0	0	110.5	G201	Q199-G201 PolarHBondContact O-N 3.31Å
200	D	93.1	Very high	93.8	Very high	73 Å²	73	39.2 Å²	39.2	39%	0.39	21%	0.214	S	C	.	.	S	Bend	trans	50.1	33.5	173.3	-66.5	-56.2	0	0	0	114.6	H211 R212	D200-H211 PolarHBondContact O-CD2 3.17Å; D200-R212 VanDerWaalsContact O-CB 3.24Å; D200-R212 WeakPolarHBondContact O-CB 3.45Å; D200-R212 PolarHBondContact O-N 2.77Å
201	G	95.3	Very high	93.7	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	-178.9	-176.8	0	0	0	0	0	113.9	Q199 V210	Q199-G201 PolarHBondContact O-N 3.31Å; G201-V210 CarbonylContact C-O 3.52Å; G201-V210 WeakPolarHBondContact CA-O 3.42Å
202	I	96.1	Very high	93.7	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	150.3	176	64.8	174.7	0	0	0	111.2	F191 S195 L204 H209 V210 F224 L228	F191-I202 HydrophobicContact CD2-CB 4.42Å; F191-I202 HydrophobicContact CD2-CD1 4.12Å; F191-I202 HydrophobicContact CD2-CG2 4.38Å; F191-I202 HydrophobicContact CE2-CD1 3.9Å; F191-I202 HydrophobicContact CE2-CG2 4.33Å; S195-I202 VanDerWaalsContact OG-CA 3.29Å; S195-I202 WeakPolarHBondContact OG-CA 3.4Å; S195-I202 WeakPolarHBondContact OG-CB 3.44Å; I202-L204 HydrophobicContact CD1-CD2 3.9Å; I202-L204 HydrophobicContact CG1-CD2 4.26Å; I202-H209 WeakPolarHBondContact O-CA 3.34Å; I202-V210 HydrophobicContact CD1-CB 4.48Å; I202-V210 HydrophobicContact CG1-CB 3.88Å; I202-V210 PolarHBondContact N-O 3.22Å; I202-V210 PolarHBondContact O-N 2.87Å; I202-F224 HydrophobicContact CB-CZ 4.42Å; I202-F224 HydrophobicContact CD1-CE2 3.65Å; I202-F224 HydrophobicContact CD1-CZ 4.27Å; I202-F224 HydrophobicContact CG1-CE2 3.74Å; I202-F224 HydrophobicContact CG1-CZ 3.86Å; I202-F224 HydrophobicContact CG2-CE2 4.29Å; I202-F224 HydrophobicContact CG2-CZ 4.02Å; I202-L228 HydrophobicContact CG2-CD2 3.92Å
203	L	94.2	Very high	93.5	Very high	24 Å²	24	48.8 Å²	48.8	13%	0.126	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	112.9	173.5	178.9	59.2	0	0	0	110.5	T127 R194 S195 V198 G207	T127-L203 HydrophobicContact CG2-CD2 4.24Å; R194-L203 HydrophobicContact CG-CD2 4.27Å; R194-L203 PolarHBondContact NE-O 3.39Å; R194-L203 PolarHBondContact NH2-O 3.39Å; R194-L203 VanDerWaalsContact NH2-O 3.15Å; S195-L203 PolarHBondContact OG-N 3.31Å; V198-L203 HydrophobicContact CG2-CB 3.98Å; L203-G207 WeakPolarHBondContact CD1-O 3.39Å
204	L	92.8	Very high	93.3	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	27%	0.273	C	S	.	.			trans	-72.6	155.4	176.2	-57.3	-173.6	0	0	0	110.8	N145 I146 A149 I202 T206 G207 L208 V210	N145-L204 HydrophobicContact CB-CD1 3.99Å; N145-L204 WeakPolarHBondContact O-CD1 3.23Å; I146-L204 HydrophobicContact CG1-CD1 4.32Å; I146-L204 HydrophobicContact CG1-CD2 4.02Å; A149-L204 HydrophobicContact CB-CB 3.89Å; A149-L204 HydrophobicContact CB-CD1 4.08Å; A149-L204 HydrophobicContact CB-CD2 4.36Å; A149-L204 HydrophobicContact CB-CG 4.33Å; I202-L204 HydrophobicContact CD1-CD2 3.9Å; I202-L204 HydrophobicContact CG1-CD2 4.26Å; L204-T206 WeakPolarHBondContact CB-OG1 3.35Å; L204-T206 PolarHBondContact O-N 2.94Å; L204-T206 VanDerWaalsContact O-N 3.13Å; L204-G207 PolarHBondContact O-N 2.87Å; L204-L208 HydrophobicContact CB-CB 4.49Å; L204-L208 WeakPolarHBondContact CB-O 3.5Å; L204-L208 HydrophobicContact CD1-CB 4.23Å; L204-L208 PolarHBondContact N-O 2.89Å; L204-V210 HydrophobicContact CD1-CG2 3.75Å; L204-V210 HydrophobicContact CD2-CG2 4.34Å; L204-V210 HydrophobicContact CG-CG2 4Å
205	A	89.4	Confident	93.2	Very high	7 Å²	7	47.9 Å²	47.9	6%	0.058	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.1	176.7	0	0	0	0	0	113.2	P125 Q153 G207	P125-A205 HydrophobicContact CB-CB 4.21Å; P125-A205 HydrophobicContact CG-CB 4.13Å; Q153-A205 HydrophobicContact CG-CB 3.38Å; A205-G207 VanDerWaalsContact C-N 3.27Å
206	T	88.4	Confident	93.1	Very high	25 Å²	25	52.2 Å²	52.2	15%	0.153	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-8.4	170.6	52.6	0	0	0	0	113.2	A149 L204 L208	A149-T206 HydrophobicContact CB-CG2 4.03Å; L204-T206 WeakPolarHBondContact CB-OG1 3.35Å; L204-T206 PolarHBondContact O-N 2.94Å; L204-T206 VanDerWaalsContact O-N 3.13Å; T206-L208 VanDerWaalsContact C-N 3.32Å
207	G	87.4	Confident	92.9	Very high	26 Å²	26	55.8 Å²	55.8	27%	0.268	31%	0.311	S	S	.	.	S	Bend	trans	89.1	-8.2	-173.8	0	0	0	0	0	114.1	L203 L204 A205 H209	L203-G207 WeakPolarHBondContact CD1-O 3.39Å; L204-G207 PolarHBondContact O-N 2.87Å; A205-G207 VanDerWaalsContact C-N 3.27Å; G207-H209 PolarHBondContact O-ND1 3.41Å
208	L	89.8	Confident	92.8	Very high	65 Å²	65	52.5 Å²	52.5	34%	0.34	29%	0.29	S	S	.	.			trans	-72.6	138	177.6	-65.8	176.8	0	0	0	111.4	N145 L204 T206	N145-L208 HydrophobicContact CB-CD1 4.22Å; L204-L208 HydrophobicContact CB-CB 4.49Å; L204-L208 WeakPolarHBondContact CB-O 3.5Å; L204-L208 HydrophobicContact CD1-CB 4.23Å; L204-L208 PolarHBondContact N-O 2.89Å; T206-L208 VanDerWaalsContact C-N 3.32Å
209	H	92.4	Very high	92.7	Very high	131 Å²	131	54.1 Å²	54.1	61%	0.606	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.4	173.9	-70.3	72.7	0	0	0	109.6	I202 G207	I202-H209 WeakPolarHBondContact O-CA 3.34Å; G207-H209 PolarHBondContact O-ND1 3.41Å
210	V	94.3	Very high	92.8	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	109.9	171.9	-179.1	0	0	0	0	107.9	P142 I146 G201 I202 L204 F224	P142-V210 HydrophobicContact CB-CG1 3.75Å; I146-V210 HydrophobicContact CG1-CG2 4.33Å; G201-V210 CarbonylContact C-O 3.52Å; G201-V210 WeakPolarHBondContact CA-O 3.42Å; I202-V210 HydrophobicContact CD1-CB 4.48Å; I202-V210 HydrophobicContact CG1-CB 3.88Å; I202-V210 PolarHBondContact N-O 3.22Å; I202-V210 PolarHBondContact O-N 2.87Å; L204-V210 HydrophobicContact CD1-CG2 3.75Å; L204-V210 HydrophobicContact CD2-CG2 4.34Å; L204-V210 HydrophobicContact CG-CG2 4Å; V210-F224 HydrophobicContact CB-CE2 4.33Å; V210-F224 HydrophobicContact CB-CZ 4.45Å; V210-F224 HydrophobicContact CG1-CE2 3.77Å; V210-F224 HydrophobicContact CG1-CZ 4.06Å; V210-F224 WeakPolarHBondContact O-CZ 3.2Å
211	H	95.4	Very high	92.9	Very high	89 Å²	89	43.8 Å²	43.8	41%	0.412	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	149.3	177.5	-171.7	-103.5	0	0	0	111.2	D200 S213 S214 A215	D200-H211 PolarHBondContact O-CD2 3.17Å; H211-S213 VanDerWaalsContact C-N 3.29Å; H211-S213 PolarHBondContact ND1-N 3.24Å; H211-S213 PolarHBondContact ND1-OG 3.08Å; H211-S213 PolarHBondContact O-N 3.35Å; H211-S214 WeakPolarHBondContact O-CB 3.41Å; H211-S214 PolarHBondContact O-N 3.36Å; H211-A215 PolarHBondContact O-N 2.91Å
212	R	95.8	Very high	92.9	Very high	100 Å²	100	47.5 Å²	47.5	38%	0.377	29%	0.289	S	S	.	.	H	α-helix	trans	-50.4	-46.1	179.1	-176.1	178.2	-174.1	-169.4	-1.3	112.5	D200 S214 A215 H216 F224 D225 L228	D200-R212 VanDerWaalsContact O-CB 3.24Å; D200-R212 WeakPolarHBondContact O-CB 3.45Å; D200-R212 PolarHBondContact O-N 2.77Å; R212-S214 VanDerWaalsContact C-N 3.3Å; R212-S214 PolarHBondContact O-N 3.27Å; R212-A215 PolarHBondContact O-N 2.85Å; R212-H216 PolarHBondContact O-CD2 2.76Å; R212-H216 VanDerWaalsContact O-CD2 3.27Å; R212-H216 PolarHBondContact O-N 3.37Å; R212-H216 VanDerWaalsContact O-N 3.09Å; R212-F224 HydrophobicContact CB-CD1 4.47Å; R212-F224 HydrophobicContact CB-CE1 4.18Å; R212-F224 HydrophobicContact CG-CD1 4.48Å; R212-D225 WeakPolarHBondContact CG-OD1 3.38Å; R212-D225 IonicContact CZ-OD1 2.68Å; R212-D225 IonicContact CZ-OD2 3.97Å; R212-D225 IonicContact NE-OD1 3.89Å; R212-D225 PolarHBondContact NE-OD1 2.92Å; R212-D225 IonicContact NE-OD2 3.99Å; R212-D225 VanDerWaalsContact NH2-CG 3.29Å; R212-D225 IonicContact NH2-OD1 3.53Å; R212-D225 PolarHBondContact NH2-OD1 3.25Å; R212-D225 IonicContact NH2-OD2 2.76Å; R212-D225 PolarHBondContact NH2-OD2 2.89Å; R212-L228 HydrophobicContact CB-CD1 4.31Å; R212-L228 HydrophobicContact CG-CD1 4.37Å
213	S	95	Very high	92.9	Very high	65 Å²	65	48 Å²	48	46%	0.455	29%	0.292	S	S	.	.	H	α-helix	trans	-58.9	-39.5	179.6	61.1	0	0	0	0	112.9	H211 H216 S217	H211-S213 VanDerWaalsContact C-N 3.29Å; H211-S213 PolarHBondContact ND1-N 3.24Å; H211-S213 PolarHBondContact ND1-OG 3.08Å; H211-S213 PolarHBondContact O-N 3.35Å; S213-H216 PolarHBondContact O-N 3.06Å; S213-S217 PolarHBondContact O-N 3.32Å; S213-S217 PolarHBondContact O-OG 2.98Å
214	S	93.5	Very high	93.1	Very high	53 Å²	53	47.5 Å²	47.5	37%	0.371	29%	0.288	S	S	.	.	H	α-helix	trans	-66	-40.6	178.8	-54.8	0	0	0	0	111.4	H211 R212 H216 S217 A218	H211-S214 WeakPolarHBondContact O-CB 3.41Å; H211-S214 PolarHBondContact O-N 3.36Å; R212-S214 VanDerWaalsContact C-N 3.3Å; R212-S214 PolarHBondContact O-N 3.27Å; S214-H216 VanDerWaalsContact C-N 3.33Å; S214-H216 PolarHBondContact O-N 3.1Å; S214-S217 PolarHBondContact O-N 2.68Å; S214-A218 WeakPolarHBondContact O-CB 3.4Å; S214-A218 PolarHBondContact O-N 3.41Å
215	A	94	Very high	93.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-38.9	175.8	0	0	0	0	0	112.4	H211 R212 A218 G219 V220 G221 F224	H211-A215 PolarHBondContact O-N 2.91Å; R212-A215 PolarHBondContact O-N 2.85Å; A215-A218 PolarHBondContact O-N 3.32Å; A215-G219 PolarHBondContact O-N 2.96Å; A215-V220 HydrophobicContact CB-CG2 4.19Å; A215-V220 CarbonylContact O-C 3.29Å; A215-V220 WeakPolarHBondContact O-CG2 3.35Å; A215-V220 PolarHBondContact O-N 2.95Å; A215-G221 PolarHBondContact O-N 3.36Å; A215-F224 HydrophobicContact CB-CB 3.74Å; A215-F224 HydrophobicContact CB-CD1 3.86Å; A215-F224 HydrophobicContact CB-CD2 3.62Å; A215-F224 HydrophobicContact CB-CE1 4.34Å; A215-F224 HydrophobicContact CB-CE2 4.13Å; A215-F224 HydrophobicContact CB-CG 3.46Å; A215-F224 VanDerWaalsContact CB-CG 3.46Å; A215-F224 HydrophobicContact CB-CZ 4.48Å
216	H	94.6	Very high	93.7	Very high	91 Å²	91	51.6 Å²	51.6	42%	0.421	30%	0.304	S	S	.	.	H	α-helix	trans	-64.5	-45.6	173.8	-83.9	-94.5	0	0	0	111.9	R212 S213 S214 A218 G219 D225	R212-H216 PolarHBondContact O-CD2 2.76Å; R212-H216 VanDerWaalsContact O-CD2 3.27Å; R212-H216 PolarHBondContact O-N 3.37Å; R212-H216 VanDerWaalsContact O-N 3.09Å; S213-H216 PolarHBondContact O-N 3.06Å; S214-H216 VanDerWaalsContact C-N 3.33Å; S214-H216 PolarHBondContact O-N 3.1Å; H216-A218 PolarHBondContact O-N 3.29Å; H216-G219 PolarHBondContact O-N 3.01Å; H216-D225 IonicContact CD2-OD1 2.92Å; H216-D225 IonicContact CE1-OD2 2.69Å; H216-D225 PolarHBondContact CE1-OD2 3.42Å; H216-D225 VanDerWaalsContact NE2-CG 3.29Å; H216-D225 IonicContact NE2-OD1 3.74Å; H216-D225 PolarHBondContact NE2-OD1 2.98Å; H216-D225 IonicContact NE2-OD2 3.15Å; H216-D225 PolarHBondContact NE2-OD2 2.88Å
217	S	92.9	Very high	94.2	Very high	113 Å²	113	50.8 Å²	50.8	79%	0.79	30%	0.299	S	S	*	.	H	α-helix	trans	-60.8	-30.9	175.7	-61.9	0	0	0	0	113	S213 S214 G219	S213-S217 PolarHBondContact O-N 3.32Å; S213-S217 PolarHBondContact O-OG 2.98Å; S214-S217 PolarHBondContact O-N 2.68Å; S217-G219 VanDerWaalsContact C-N 3.29Å; S217-G219 PolarHBondContact O-N 3.49Å
218	A	89.6	Confident	94.7	Very high	35 Å²	35	50.6 Å²	50.6	29%	0.289	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	5.3	176	0	0	0	0	0	114.1	P142 V143 S214 A215 H216 V220	P142-A218 HydrophobicContact CG-CB 3.43Å; P142-A218 VanDerWaalsContact CG-CB 3.43Å; V143-A218 HydrophobicContact CG2-CB 4.24Å; S214-A218 WeakPolarHBondContact O-CB 3.4Å; S214-A218 PolarHBondContact O-N 3.41Å; A215-A218 PolarHBondContact O-N 3.32Å; H216-A218 PolarHBondContact O-N 3.29Å; A218-V220 VanDerWaalsContact C-N 3.25Å; A218-V220 HydrophobicContact CB-CG2 4.33Å; A218-V220 PolarHBondContact O-N 3.31Å
219	G	91	Very high	95.1	Very high	62 Å²	62	51.4 Å²	51.4	64%	0.639	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	4	177	0	0	0	0	0	115.5	A215 H216 S217	A215-G219 PolarHBondContact O-N 2.96Å; H216-G219 PolarHBondContact O-N 3.01Å; S217-G219 VanDerWaalsContact C-N 3.29Å; S217-G219 PolarHBondContact O-N 3.49Å
220	V	93.4	Very high	95.4	Very high	13 Å²	13	47.9 Å²	47.9	8%	0.079	28%	0.283	C	S	.	.			trans	-105	11.7	177.8	-63.4	0	0	0	0	112.9	V143 A215 A218 S222 I223 F224 F317	V143-V220 HydrophobicContact CG2-CG1 4.04Å; V143-V220 HydrophobicContact CG2-CG2 4.02Å; A215-V220 HydrophobicContact CB-CG2 4.19Å; A215-V220 CarbonylContact O-C 3.29Å; A215-V220 WeakPolarHBondContact O-CG2 3.35Å; A215-V220 PolarHBondContact O-N 2.95Å; A218-V220 VanDerWaalsContact C-N 3.25Å; A218-V220 HydrophobicContact CB-CG2 4.33Å; A218-V220 PolarHBondContact O-N 3.31Å; V220-S222 VanDerWaalsContact C-N 3.29Å; V220-S222 PolarHBondContact O-N 3.35Å; V220-I223 HydrophobicContact CB-CG2 4.17Å; V220-I223 WeakPolarHBondContact O-CG2 3.42Å; V220-I223 PolarHBondContact O-N 2.91Å; V220-F224 WeakPolarHBondContact O-CB 3.39Å; V220-F224 PolarHBondContact O-N 3.41Å; V220-F224 VanDerWaalsContact O-N 3.11Å; V220-F317 HydrophobicContact CG1-CE2 4.21Å; V220-F317 HydrophobicContact CG1-CZ 3.89Å
221	G	94.8	Very high	95.6	Very high	3 Å²	3	47.6 Å²	47.6	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-58.4	-34.3	-175.6	0	0	0	0	0	114.7	A215 F224 D225	A215-G221 PolarHBondContact O-N 3.36Å; G221-F224 PolarHBondContact O-N 2.88Å; G221-D225 WeakPolarHBondContact O-CB 3.31Å; G221-D225 PolarHBondContact O-N 3.35Å
222	S	96.8	Very high	95.7	Very high	81 Å²	81	43.8 Å²	43.8	57%	0.566	27%	0.265	S	S	*	.	H	α-helix	trans	-66	-46.3	-178.5	60.5	0	0	0	0	112.9	V220 R226	V220-S222 VanDerWaalsContact C-N 3.29Å; V220-S222 PolarHBondContact O-N 3.35Å; S222-R226 WeakPolarHBondContact O-CG 3.33Å; S222-R226 PolarHBondContact O-N 3.1Å
223	I	96.3	Very high	95.8	Very high	14 Å²	14	41.1 Å²	41.1	7%	0.072	26%	0.261	C	S	.	.	H	α-helix	trans	-71.7	-34.5	176.5	-173.7	57.2	0	0	0	111.1	V220 R226 V227 I306 K309	V220-I223 HydrophobicContact CB-CG2 4.17Å; V220-I223 WeakPolarHBondContact O-CG2 3.42Å; V220-I223 PolarHBondContact O-N 2.91Å; I223-R226 WeakPolarHBondContact O-CB 3.39Å; I223-R226 PolarHBondContact O-N 3.12Å; I223-V227 WeakPolarHBondContact O-CG2 3.31Å; I223-V227 PolarHBondContact O-N 3.5Å; I223-V227 VanDerWaalsContact O-N 3.07Å; I223-I306 HydrophobicContact CD1-CB 4.37Å; I223-I306 HydrophobicContact CD1-CG1 4.36Å; I223-I306 HydrophobicContact CD1-CG2 3.94Å; I223-K309 HydrophobicContact CD1-CB 3.84Å; I223-K309 HydrophobicContact CD1-CG 3.81Å; I223-K309 HydrophobicContact CG1-CG 4.33Å
224	F	97.3	Very high	96	Very high	12 Å²	12	42 Å²	42	5%	0.053	26%	0.257	C	S	.	.	H	α-helix	trans	-62.4	-44.8	175.1	-164.6	-89.4	0	0	0	112.1	I202 V210 R212 A215 V220 G221 R226 V227 L228	I202-F224 HydrophobicContact CB-CZ 4.42Å; I202-F224 HydrophobicContact CD1-CE2 3.65Å; I202-F224 HydrophobicContact CD1-CZ 4.27Å; I202-F224 HydrophobicContact CG1-CE2 3.74Å; I202-F224 HydrophobicContact CG1-CZ 3.86Å; I202-F224 HydrophobicContact CG2-CE2 4.29Å; I202-F224 HydrophobicContact CG2-CZ 4.02Å; V210-F224 HydrophobicContact CB-CE2 4.33Å; V210-F224 HydrophobicContact CB-CZ 4.45Å; V210-F224 HydrophobicContact CG1-CE2 3.77Å; V210-F224 HydrophobicContact CG1-CZ 4.06Å; V210-F224 WeakPolarHBondContact O-CZ 3.2Å; R212-F224 HydrophobicContact CB-CD1 4.47Å; R212-F224 HydrophobicContact CB-CE1 4.18Å; R212-F224 HydrophobicContact CG-CD1 4.48Å; A215-F224 HydrophobicContact CB-CB 3.74Å; A215-F224 HydrophobicContact CB-CD1 3.86Å; A215-F224 HydrophobicContact CB-CD2 3.62Å; A215-F224 HydrophobicContact CB-CE1 4.34Å; A215-F224 HydrophobicContact CB-CE2 4.13Å; A215-F224 HydrophobicContact CB-CG 3.46Å; A215-F224 VanDerWaalsContact CB-CG 3.46Å; A215-F224 HydrophobicContact CB-CZ 4.48Å; V220-F224 WeakPolarHBondContact O-CB 3.39Å; V220-F224 PolarHBondContact O-N 3.41Å; V220-F224 VanDerWaalsContact O-N 3.11Å; G221-F224 PolarHBondContact O-N 2.88Å; F224-R226 VanDerWaalsContact C-N 3.28Å; F224-R226 PolarHBondContact O-N 3.36Å; F224-V227 WeakPolarHBondContact O-CB 3.44Å; F224-V227 PolarHBondContact O-N 2.92Å; F224-L228 HydrophobicContact CD1-CD1 3.9Å; F224-L228 HydrophobicContact CD1-CG 4.08Å; F224-L228 HydrophobicContact CE1-CD1 3.66Å; F224-L228 HydrophobicContact CE1-CD2 4.23Å; F224-L228 HydrophobicContact CE1-CG 3.93Å; F224-L228 PolarHBondContact O-N 2.92Å
225	D	97.9	Very high	96.2	Very high	29 Å²	29	39.8 Å²	39.8	16%	0.155	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-36.9	176.7	-77.2	0.9	0	0	0	112.1	R212 H216 G221 L228 T229	R212-D225 WeakPolarHBondContact CG-OD1 3.38Å; R212-D225 IonicContact CZ-OD1 2.68Å; R212-D225 IonicContact CZ-OD2 3.97Å; R212-D225 IonicContact NE-OD1 3.89Å; R212-D225 PolarHBondContact NE-OD1 2.92Å; R212-D225 IonicContact NE-OD2 3.99Å; R212-D225 VanDerWaalsContact NH2-CG 3.29Å; R212-D225 IonicContact NH2-OD1 3.53Å; R212-D225 PolarHBondContact NH2-OD1 3.25Å; R212-D225 IonicContact NH2-OD2 2.76Å; R212-D225 PolarHBondContact NH2-OD2 2.89Å; H216-D225 IonicContact CD2-OD1 2.92Å; H216-D225 IonicContact CE1-OD2 2.69Å; H216-D225 PolarHBondContact CE1-OD2 3.42Å; H216-D225 VanDerWaalsContact NE2-CG 3.29Å; H216-D225 IonicContact NE2-OD1 3.74Å; H216-D225 PolarHBondContact NE2-OD1 2.98Å; H216-D225 IonicContact NE2-OD2 3.15Å; H216-D225 PolarHBondContact NE2-OD2 2.88Å; G221-D225 WeakPolarHBondContact O-CB 3.31Å; G221-D225 PolarHBondContact O-N 3.35Å; D225-L228 PolarHBondContact O-N 3.46Å; D225-T229 VanDerWaalsContact O-CB 3.28Å; D225-T229 WeakPolarHBondContact O-CB 3.49Å; D225-T229 PolarHBondContact O-N 3.15Å; D225-T229 PolarHBondContact O-OG1 3.33Å
226	R	98.1	Very high	96.4	Very high	69 Å²	69	45.5 Å²	45.5	26%	0.26	27%	0.266	S	S	.	.	H	α-helix	trans	-64.6	-44.3	174.4	-70.5	-176.3	66.3	-157.3	-2.7	111.9	S222 I223 F224 L228 T229 E230 S305 I306	S222-R226 WeakPolarHBondContact O-CG 3.33Å; S222-R226 PolarHBondContact O-N 3.1Å; I223-R226 WeakPolarHBondContact O-CB 3.39Å; I223-R226 PolarHBondContact O-N 3.12Å; F224-R226 VanDerWaalsContact C-N 3.28Å; F224-R226 PolarHBondContact O-N 3.36Å; R226-L228 VanDerWaalsContact C-N 3.35Å; R226-L228 PolarHBondContact O-N 3.08Å; R226-T229 PolarHBondContact O-N 2.98Å; R226-E230 WeakPolarHBondContact CB-OE1 3.48Å; R226-E230 VanDerWaalsContact CG-OE1 3.31Å; R226-E230 WeakPolarHBondContact CG-OE1 3.25Å; R226-E230 IonicContact CZ-OE1 3.58Å; R226-E230 IonicContact NE-OE1 3.82Å; R226-E230 PolarHBondContact NE-OE1 3.49Å; R226-E230 IonicContact NH2-OE1 3.51Å; R226-E230 IonicContact NH2-OE2 2.79Å; R226-E230 VanDerWaalsContact O-CB 3.24Å; R226-E230 WeakPolarHBondContact O-CB 3.47Å; R226-E230 WeakPolarHBondContact O-CG 3.49Å; R226-E230 PolarHBondContact O-N 2.88Å; R226-S305 PolarHBondContact NH2-OG 3.13Å; R226-I306 HydrophobicContact CB-CD1 4.18Å; R226-I306 HydrophobicContact CB-CG1 4.23Å
227	V	98.3	Very high	96.6	Very high	8 Å²	8	46.1 Å²	46.1	5%	0.048	27%	0.272	C	S	.	.	I	π-helix	trans	-57.2	-49.2	174.2	170.6	0	0	0	0	110.7	F191 I223 F224 T229 L231 V232 I306	F191-V227 HydrophobicContact CE2-CG1 3.88Å; F191-V227 HydrophobicContact CZ-CG1 4.45Å; I223-V227 WeakPolarHBondContact O-CG2 3.31Å; I223-V227 PolarHBondContact O-N 3.5Å; I223-V227 VanDerWaalsContact O-N 3.07Å; F224-V227 WeakPolarHBondContact O-CB 3.44Å; F224-V227 PolarHBondContact O-N 2.92Å; V227-T229 PolarHBondContact O-N 3.45Å; V227-L231 VanDerWaalsContact O-CB 3.3Å; V227-L231 WeakPolarHBondContact O-CB 3.28Å; V227-L231 PolarHBondContact O-N 3.16Å; V227-L231 VanDerWaalsContact O-N 3.14Å; V227-V232 HydrophobicContact CG1-CG2 4.34Å; V227-V232 PolarHBondContact O-N 3.16Å; V227-I306 HydrophobicContact CG2-CG2 3.6Å
228	L	98.1	Very high	96.8	Very high	23 Å²	23	42.2 Å²	42.2	12%	0.12	24%	0.241	C	C	.	.	I	π-helix	trans	-61.2	-45.7	179.1	-67.9	-174.9	0	0	0	112.3	I202 R212 F224 D225 R226 V232 S233	I202-L228 HydrophobicContact CG2-CD2 3.92Å; R212-L228 HydrophobicContact CB-CD1 4.31Å; R212-L228 HydrophobicContact CG-CD1 4.37Å; F224-L228 HydrophobicContact CD1-CD1 3.9Å; F224-L228 HydrophobicContact CD1-CG 4.08Å; F224-L228 HydrophobicContact CE1-CD1 3.66Å; F224-L228 HydrophobicContact CE1-CD2 4.23Å; F224-L228 HydrophobicContact CE1-CG 3.93Å; F224-L228 PolarHBondContact O-N 2.92Å; D225-L228 PolarHBondContact O-N 3.46Å; R226-L228 VanDerWaalsContact C-N 3.35Å; R226-L228 PolarHBondContact O-N 3.08Å; L228-V232 HydrophobicContact CD2-CG2 4.16Å; L228-S233 WeakPolarHBondContact O-CB 3.27Å; L228-S233 PolarHBondContact O-N 3.11Å
229	T	97.8	Very high	97.2	Very high	82 Å²	82	48.1 Å²	48.1	50%	0.503	26%	0.263	S	S	.	.	I	π-helix	trans	-82.3	-41.2	-170.4	-52.1	0	0	0	0	112.9	D225 R226 V227	D225-T229 VanDerWaalsContact O-CB 3.28Å; D225-T229 WeakPolarHBondContact O-CB 3.49Å; D225-T229 PolarHBondContact O-N 3.15Å; D225-T229 PolarHBondContact O-OG1 3.33Å; R226-T229 PolarHBondContact O-N 2.98Å; V227-T229 PolarHBondContact O-N 3.45Å
230	E	98.3	Very high	97.5	Very high	57 Å²	57	45.7 Å²	45.7	27%	0.266	24%	0.235	S	C	.	.	I	π-helix	trans	-92.1	-24.5	-172.2	-57.1	179.9	-124.8	0	0	112.7	R226 K234 R299 A302 I306	R226-E230 WeakPolarHBondContact CB-OE1 3.48Å; R226-E230 VanDerWaalsContact CG-OE1 3.31Å; R226-E230 WeakPolarHBondContact CG-OE1 3.25Å; R226-E230 IonicContact CZ-OE1 3.58Å; R226-E230 IonicContact NE-OE1 3.82Å; R226-E230 PolarHBondContact NE-OE1 3.49Å; R226-E230 IonicContact NH2-OE1 3.51Å; R226-E230 IonicContact NH2-OE2 2.79Å; R226-E230 VanDerWaalsContact O-CB 3.24Å; R226-E230 WeakPolarHBondContact O-CB 3.47Å; R226-E230 WeakPolarHBondContact O-CG 3.49Å; R226-E230 PolarHBondContact O-N 2.88Å; E230-K234 WeakPolarHBondContact O-CG 3.41Å; E230-R299 PolarHBondContact O-NH1 3.43Å; E230-A302 HydrophobicContact CB-CB 4.19Å; E230-I306 HydrophobicContact CB-CD1 4.14Å
231	L	98.3	Very high	97.7	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.238	C	C	.	.	I	π-helix	trans	-111.6	-69.3	-180	-51.9	178.5	0	0	0	111.8	I188 V227 S233 K234 M235 A302 L303 I306	I188-L231 HydrophobicContact CG2-CD1 3.49Å; I188-L231 VanDerWaalsContact CG2-CD1 3.49Å; V227-L231 VanDerWaalsContact O-CB 3.3Å; V227-L231 WeakPolarHBondContact O-CB 3.28Å; V227-L231 PolarHBondContact O-N 3.16Å; V227-L231 VanDerWaalsContact O-N 3.14Å; L231-S233 PolarHBondContact O-N 3.16Å; L231-K234 PolarHBondContact O-N 2.74Å; L231-K234 VanDerWaalsContact O-N 3.11Å; L231-M235 WeakPolarHBondContact O-CB 3.44Å; L231-M235 VanDerWaalsContact O-CG 3.29Å; L231-M235 WeakPolarHBondContact O-CG 3.22Å; L231-M235 PolarHBondContact O-N 3.25Å; L231-A302 HydrophobicContact CD2-CB 4.41Å; L231-L303 HydrophobicContact CD1-CD1 3.97Å; L231-L303 HydrophobicContact CD2-CB 4.23Å; L231-I306 HydrophobicContact CD1-CD1 3.86Å; L231-I306 HydrophobicContact CD2-CD1 4.35Å; L231-I306 HydrophobicContact CG-CD1 3.82Å
232	V	98.4	Very high	97.9	Very high	9 Å²	9	49.1 Å²	49.1	6%	0.055	25%	0.25	C	C	.	.	I	π-helix	trans	-59	-52.6	-170.9	-177	0	0	0	0	111.5	S195 V227 L228 K234 M235 K236	S195-V232 WeakPolarHBondContact O-CG1 3.36Å; V227-V232 HydrophobicContact CG1-CG2 4.34Å; V227-V232 PolarHBondContact O-N 3.16Å; L228-V232 HydrophobicContact CD2-CG2 4.16Å; V232-K234 VanDerWaalsContact C-N 3.28Å; V232-K234 PolarHBondContact O-N 2.94Å; V232-M235 PolarHBondContact O-N 3.09Å; V232-K236 WeakPolarHBondContact O-CB 3.37Å; V232-K236 PolarHBondContact O-N 3.34Å
233	S	98.2	Very high	98	Very high	43 Å²	43	45.6 Å²	45.6	30%	0.301	23%	0.225	S	C	.	.	H	α-helix	trans	-58.7	-40.8	177.4	167.8	0	0	0	0	111.5	L228 L231 K236 D237	L228-S233 WeakPolarHBondContact O-CB 3.27Å; L228-S233 PolarHBondContact O-N 3.11Å; L231-S233 PolarHBondContact O-N 3.16Å; S233-K236 PolarHBondContact O-N 3.23Å; S233-D237 WeakPolarHBondContact O-CB 3.4Å; S233-D237 PolarHBondContact O-N 3.37Å
234	K	98.3	Very high	98.1	Very high	84 Å²	84	45 Å²	45	37%	0.365	22%	0.221	S	C	.	.	H	α-helix	trans	-72.9	-37.2	-177.5	-61.2	-64.9	167.4	-148.2	0	112.9	E230 L231 V232 K236 D237 M238	E230-K234 WeakPolarHBondContact O-CG 3.41Å; L231-K234 PolarHBondContact O-N 2.74Å; L231-K234 VanDerWaalsContact O-N 3.11Å; V232-K234 VanDerWaalsContact C-N 3.28Å; V232-K234 PolarHBondContact O-N 2.94Å; K234-K236 VanDerWaalsContact C-N 3.34Å; K234-D237 IonicContact NZ-OD2 3.41Å; K234-D237 PolarHBondContact NZ-OD2 2.94Å; K234-M238 WeakPolarHBondContact O-CG 3.5Å; K234-M238 PolarHBondContact O-N 2.91Å
235	M	98.5	Very high	98.2	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.034	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-41.1	171.7	-69	175.1	177.3	0	0	111.2	H193 V196 L231 V232 Q239 M240 L245	H193-M235 HydrophobicContact CB-SD 3.9Å; V196-M235 HydrophobicContact CG1-CB 3.76Å; L231-M235 WeakPolarHBondContact O-CB 3.44Å; L231-M235 VanDerWaalsContact O-CG 3.29Å; L231-M235 WeakPolarHBondContact O-CG 3.22Å; L231-M235 PolarHBondContact O-N 3.25Å; V232-M235 PolarHBondContact O-N 3.09Å; M235-Q239 PolarHBondContact O-N 3.32Å; M235-Q239 VanDerWaalsContact O-N 3.15Å; M235-M240 HydrophobicContact CB-CB 4.28Å; M235-M240 HydrophobicContact CE-CE 4.43Å; M235-M240 HydrophobicContact CE-SD 4.26Å; M235-M240 HydrophobicContact CG-CE 3.77Å; M235-M240 HydrophobicContact CG-SD 3.84Å; M235-M240 PolarHBondContact O-N 3.45Å; M235-M240 HydrophobicContact SD-SD 4.31Å; M235-L245 HydrophobicContact CE-CD1 4.45Å
236	K	98.2	Very high	98.2	Very high	120 Å²	120	43.2 Å²	43.2	52%	0.522	21%	0.213	S	C	.	.	H	α-helix	trans	-64.4	-51.7	175.5	-174.5	-176.4	-172.1	166.5	0	112.1	V196 V232 S233 K234 M238 Q239	V196-K236 HydrophobicContact CB-CB 4.22Å; V196-K236 HydrophobicContact CG1-CB 4.43Å; V196-K236 WeakPolarHBondContact O-CD 3.46Å; V232-K236 WeakPolarHBondContact O-CB 3.37Å; V232-K236 PolarHBondContact O-N 3.34Å; S233-K236 PolarHBondContact O-N 3.23Å; K234-K236 VanDerWaalsContact C-N 3.34Å; K236-M238 VanDerWaalsContact C-N 3.26Å; K236-M238 PolarHBondContact O-N 3.24Å; K236-Q239 PolarHBondContact O-N 3.1Å
237	D	97.5	Very high	98.2	Very high	104 Å²	104	39.9 Å²	39.9	56%	0.556	20%	0.2	S	C	*	.	H	α-helix	trans	-57.7	-39.6	-177.5	-68.1	-13.3	0	0	0	111.6	S233 K234	S233-D237 WeakPolarHBondContact O-CB 3.4Å; S233-D237 PolarHBondContact O-N 3.37Å; K234-D237 IonicContact NZ-OD2 3.41Å; K234-D237 PolarHBondContact NZ-OD2 2.94Å
238	M	97.1	Very high	98.3	Very high	30 Å²	30	39.9 Å²	39.9	15%	0.148	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-0.6	-179.8	78	-170.5	-62.2	0	0	114.3	K234 K236 M240 R292 K295 L296	K234-M238 WeakPolarHBondContact O-CG 3.5Å; K234-M238 PolarHBondContact O-N 2.91Å; K236-M238 VanDerWaalsContact C-N 3.26Å; K236-M238 PolarHBondContact O-N 3.24Å; M238-M240 VanDerWaalsContact C-N 3.33Å; M238-M240 HydrophobicContact CG-CB 4.05Å; M238-M240 PolarHBondContact O-N 3.1Å; M238-M240 HydrophobicContact SD-CE 3.9Å; M238-R292 PolarHBondContact O-NH1 3.47Å; M238-R292 PolarHBondContact O-NH2 3.22Å; M238-K295 HydrophobicContact CE-CB 4.12Å; M238-L296 HydrophobicContact CE-CD2 3.33Å; M238-L296 HydrophobicContact CE-CG 3.67Å; M238-L296 HydrophobicContact SD-CD2 4.03Å
239	Q	98.1	Very high	98.3	Very high	160 Å²	160	39.1 Å²	39.1	75%	0.748	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.5	57.1	-174	-59.7	178.7	-6.5	0	0	110.9	M235 K236 D241 R292	M235-Q239 PolarHBondContact O-N 3.32Å; M235-Q239 VanDerWaalsContact O-N 3.15Å; K236-Q239 PolarHBondContact O-N 3.1Å; Q239-D241 PolarHBondContact O-N 3.39Å; Q239-R292 PolarHBondContact O-NH2 2.9Å; Q239-R292 VanDerWaalsContact O-NH2 3.11Å
240	M	98.6	Very high	98.4	Very high	11 Å²	11	35.2 Å²	35.2	5%	0.054	17%	0.171	C	C	.	.			trans	-63.5	127.6	178.7	-177.1	-174.9	-71.8	0	0	109.7	H193 M235 M238 E244 L245 L248 L296 R299	H193-M240 PolarHBondContact NE2-O 3.21Å; M235-M240 HydrophobicContact CB-CB 4.28Å; M235-M240 HydrophobicContact CE-CE 4.43Å; M235-M240 HydrophobicContact CE-SD 4.26Å; M235-M240 HydrophobicContact CG-CE 3.77Å; M235-M240 HydrophobicContact CG-SD 3.84Å; M235-M240 PolarHBondContact O-N 3.45Å; M235-M240 HydrophobicContact SD-SD 4.31Å; M238-M240 VanDerWaalsContact C-N 3.33Å; M238-M240 HydrophobicContact CG-CB 4.05Å; M238-M240 PolarHBondContact O-N 3.1Å; M238-M240 HydrophobicContact SD-CE 3.9Å; M240-E244 WeakPolarHBondContact CA-OE2 3.37Å; M240-E244 HydrophobicContact CG-CB 3.96Å; M240-L245 HydrophobicContact SD-CB 4.26Å; M240-L245 HydrophobicContact SD-CD1 4.35Å; M240-L248 HydrophobicContact CE-CD1 3.6Å; M240-L248 HydrophobicContact SD-CD1 4.19Å; M240-L296 HydrophobicContact CE-CD2 3.61Å; M240-L296 HydrophobicContact CG-CD2 4.18Å; M240-R299 HydrophobicContact CE-CG 4.12Å
241	D	98.1	Very high	98.4	Very high	25 Å²	25	32.6 Å²	32.6	13%	0.134	16%	0.159	C	C	.	.			trans	-90.4	175.5	176	71.5	43.8	0	0	0	112.4	Q239 S243 E244 L245 Y281 K285 Y286	Q239-D241 PolarHBondContact O-N 3.39Å; D241-S243 WeakPolarHBondContact OD1-CA 3.4Å; D241-S243 VanDerWaalsContact OD1-CB 3.32Å; D241-S243 WeakPolarHBondContact OD1-CB 3.31Å; D241-S243 PolarHBondContact OD1-N 2.91Å; D241-E244 PolarHBondContact N-OE2 2.98Å; D241-E244 WeakPolarHBondContact OD1-CG 3.35Å; D241-E244 PolarHBondContact OD1-N 3.46Å; D241-L245 PolarHBondContact O-N 2.95Å; D241-Y281 WeakPolarHBondContact OD2-CE1 3.41Å; D241-Y281 PolarHBondContact OD2-OH 3.3Å; D241-K285 IonicContact OD2-NZ 2.62Å; D241-K285 PolarHBondContact OD2-NZ 3.31Å; D241-Y286 PolarHBondContact OD2-OH 3.36Å
242	K	98	Very high	98.4	Very high	63 Å²	63	32.9 Å²	32.9	27%	0.274	16%	0.161	S	C	.	.	H	α-helix	trans	-71.9	-29.5	-177.4	-63.1	-176.4	-170.6	179.3	0	113.3	L117 L121 E124 G246	L117-K242 HydrophobicContact CD1-CB 3.69Å; L121-K242 HydrophobicContact CD2-CD 3.64Å; E124-K242 VanDerWaalsContact OE1-CD 3.28Å; E124-K242 WeakPolarHBondContact OE1-CD 3.46Å; E124-K242 WeakPolarHBondContact OE1-CE 3.25Å; E124-K242 IonicContact OE1-NZ 3.13Å; E124-K242 PolarHBondContact OE1-NZ 2.85Å; E124-K242 IonicContact OE2-NZ 3.59Å; E124-K242 PolarHBondContact OE2-NZ 3.48Å; K242-G246 PolarHBondContact O-N 2.91Å
243	S	98.4	Very high	98.4	Very high	7 Å²	7	32.5 Å²	32.5	5%	0.049	16%	0.158	C	C	.	.	H	α-helix	trans	-66.3	-44.2	175.8	-61.2	0	0	0	0	110.1	D241 G246 C247 Y281	D241-S243 WeakPolarHBondContact OD1-CA 3.4Å; D241-S243 VanDerWaalsContact OD1-CB 3.32Å; D241-S243 WeakPolarHBondContact OD1-CB 3.31Å; D241-S243 PolarHBondContact OD1-N 2.91Å; S243-G246 PolarHBondContact O-N 3.04Å; S243-C247 PolarHBondContact O-N 3.5Å; S243-C247 PolarHBondContact O-SG 3.31Å; S243-Y281 VanDerWaalsContact CB-CZ 3.41Å; S243-Y281 VanDerWaalsContact CB-OH 3.25Å; S243-Y281 WeakPolarHBondContact CB-OH 3.27Å; S243-Y281 PolarHBondContact OG-OH 2.92Å; S243-Y281 VanDerWaalsContact OG-OH 3.13Å
244	E	98.8	Very high	98.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.4	-44.5	176.7	-66.3	170.8	151.7	0	0	112	M240 D241 G246 C247 L248 L278 Y281 Y286 R292 L296	M240-E244 WeakPolarHBondContact CA-OE2 3.37Å; M240-E244 HydrophobicContact CG-CB 3.96Å; D241-E244 PolarHBondContact N-OE2 2.98Å; D241-E244 WeakPolarHBondContact OD1-CG 3.35Å; D241-E244 PolarHBondContact OD1-N 3.46Å; E244-G246 VanDerWaalsContact C-N 3.35Å; E244-C247 PolarHBondContact O-N 3.1Å; E244-L248 WeakPolarHBondContact O-CG 3.43Å; E244-L248 PolarHBondContact O-N 2.89Å; E244-L278 HydrophobicContact CB-CD1 4.48Å; E244-L278 HydrophobicContact CG-CD1 4.21Å; E244-Y281 HydrophobicContact CG-CD1 4.16Å; E244-Y281 HydrophobicContact CG-CE1 3.88Å; E244-Y286 WeakPolarHBondContact OE1-CE2 3.31Å; E244-R292 IonicContact OE1-CZ 2.58Å; E244-R292 IonicContact OE1-NE 3.01Å; E244-R292 PolarHBondContact OE1-NE 3.03Å; E244-R292 IonicContact OE1-NH2 3.97Å; E244-R292 PolarHBondContact OE1-NH2 3.19Å; E244-R292 IonicContact OE2-CZ 3.44Å; E244-R292 IonicContact OE2-NE 3.47Å; E244-R292 IonicContact OE2-NH2 2.72Å; E244-R292 PolarHBondContact OE2-NH2 3.04Å; E244-L296 HydrophobicContact CB-CD1 4.12Å; E244-L296 HydrophobicContact CB-CD2 4.05Å; E244-L296 HydrophobicContact CG-CD1 3.85Å; E244-L296 HydrophobicContact CG-CD2 4.44Å
245	L	98.7	Very high	98.5	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-56.9	-50	173.5	176.6	68.5	0	0	0	110.9	A189 H193 M235 M240 D241 C247 L248 R249	A189-L245 HydrophobicContact CB-CD1 4.28Å; H193-L245 HydrophobicContact CB-CD1 3.9Å; H193-L245 HydrophobicContact CB-CD2 3.57Å; H193-L245 HydrophobicContact CB-CG 4.29Å; M235-L245 HydrophobicContact CE-CD1 4.45Å; M240-L245 HydrophobicContact SD-CB 4.26Å; M240-L245 HydrophobicContact SD-CD1 4.35Å; D241-L245 PolarHBondContact O-N 2.95Å; L245-C247 VanDerWaalsContact C-N 3.31Å; L245-C247 PolarHBondContact O-N 3.34Å; L245-L248 PolarHBondContact O-N 2.83Å; L245-R249 HydrophobicContact CD1-CG 4.31Å; L245-R249 HydrophobicContact CG-CG 4.44Å; L245-R249 WeakPolarHBondContact O-CB 3.47Å; L245-R249 WeakPolarHBondContact O-CG 3.46Å; L245-R249 PolarHBondContact O-N 2.98Å
246	G	98.7	Very high	98.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-40.1	-179.9	0	0	0	0	0	112.3	E120 K242 S243 E244 R249 A250	E120-G246 WeakPolarHBondContact OE1-CA 3.4Å; K242-G246 PolarHBondContact O-N 2.91Å; S243-G246 PolarHBondContact O-N 3.04Å; E244-G246 VanDerWaalsContact C-N 3.35Å; G246-R249 PolarHBondContact O-N 3.33Å; G246-A250 WeakPolarHBondContact O-CB 3.46Å; G246-A250 PolarHBondContact O-N 3.05Å
247	C	98.8	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.4	-44.3	174.7	-67.6	0	0	0	0	112.1	S243 E244 L245 R249 A250 I251 V274 L278	S243-C247 PolarHBondContact O-N 3.5Å; S243-C247 PolarHBondContact O-SG 3.31Å; E244-C247 PolarHBondContact O-N 3.1Å; L245-C247 VanDerWaalsContact C-N 3.31Å; L245-C247 PolarHBondContact O-N 3.34Å; C247-R249 VanDerWaalsContact C-N 3.31Å; C247-R249 PolarHBondContact O-N 3.26Å; C247-A250 PolarHBondContact O-N 3.06Å; C247-I251 WeakPolarHBondContact O-CD1 3.36Å; C247-I251 WeakPolarHBondContact O-CG1 3.17Å; C247-I251 PolarHBondContact O-N 3.47Å; C247-V274 HydrophobicContact CB-CG1 4.1Å; C247-V274 WeakPolarHBondContact O-CG1 3.38Å; C247-L278 HydrophobicContact CB-CB 4Å; C247-L278 HydrophobicContact CB-CD1 3.75Å; C247-L278 HydrophobicContact CB-CD2 3.97Å; C247-L278 HydrophobicContact CB-CG 4.1Å
248	L	98.9	Very high	98.2	Very high	8 Å²	8	23.5 Å²	23.5	4%	0.042	12%	0.119	C	C	.	.	H	α-helix	trans	-61.6	-40.7	175.6	-70.8	-179.3	0	0	0	111.6	M240 E244 L245 I251 V252 L278 L296 L297 R299 L300	M240-L248 HydrophobicContact CE-CD1 3.6Å; M240-L248 HydrophobicContact SD-CD1 4.19Å; E244-L248 WeakPolarHBondContact O-CG 3.43Å; E244-L248 PolarHBondContact O-N 2.89Å; L245-L248 PolarHBondContact O-N 2.83Å; L248-I251 HydrophobicContact CD2-CD1 4.28Å; L248-I251 PolarHBondContact O-N 3.04Å; L248-V252 WeakPolarHBondContact O-CG2 3.41Å; L248-V252 PolarHBondContact O-N 3.03Å; L248-V252 VanDerWaalsContact O-N 3.12Å; L248-L278 HydrophobicContact CD2-CD2 4.2Å; L248-L296 HydrophobicContact CD1-CB 4.32Å; L248-L296 HydrophobicContact CD1-CD2 4.23Å; L248-L296 HydrophobicContact CD2-CB 4.23Å; L248-L297 HydrophobicContact CD2-CD2 4.28Å; L248-R299 HydrophobicContact CD1-CB 4.48Å; L248-L300 HydrophobicContact CB-CD2 4.38Å; L248-L300 HydrophobicContact CD2-CD1 4.38Å; L248-L300 HydrophobicContact CD2-CD2 4.16Å; L248-L300 HydrophobicContact CD2-CG 4.22Å
249	R	98.8	Very high	98	Very high	6 Å²	6	31.4 Å²	31.4	2%	0.023	15%	0.153	C	C	.	.	H	α-helix	trans	-65.3	-40.3	173.9	-71.9	175.8	63.2	179.3	1.7	111.6	E120 W160 L186 A189 L245 G246 C247 I251 V252 L253	E120-R249 VanDerWaalsContact CD-NH1 3.34Å; E120-R249 WeakPolarHBondContact OE1-CD 3.1Å; E120-R249 IonicContact OE1-CZ 3Å; E120-R249 IonicContact OE1-NE 3.82Å; E120-R249 PolarHBondContact OE1-NE 3.27Å; E120-R249 IonicContact OE1-NH1 2.69Å; E120-R249 PolarHBondContact OE1-NH1 2.88Å; E120-R249 VanDerWaalsContact OE1-NH1 3.15Å; E120-R249 IonicContact OE2-CZ 3.21Å; E120-R249 IonicContact OE2-NH1 3.62Å; E120-R249 PolarHBondContact OE2-NH1 2.87Å; W160-R249 HydrophobicContact CH2-CB 3.67Å; W160-R249 HydrophobicContact CZ2-CB 3.51Å; L186-R249 HydrophobicContact CD2-CB 3.82Å; L186-R249 HydrophobicContact CD2-CG 4.28Å; L186-R249 WeakPolarHBondContact CD2-O 3.47Å; A189-R249 HydrophobicContact CB-CG 4.04Å; L245-R249 HydrophobicContact CD1-CG 4.31Å; L245-R249 HydrophobicContact CG-CG 4.44Å; L245-R249 WeakPolarHBondContact O-CB 3.47Å; L245-R249 WeakPolarHBondContact O-CG 3.46Å; L245-R249 PolarHBondContact O-N 2.98Å; G246-R249 PolarHBondContact O-N 3.33Å; C247-R249 VanDerWaalsContact C-N 3.31Å; C247-R249 PolarHBondContact O-N 3.26Å; R249-I251 PolarHBondContact O-N 3.17Å; R249-V252 WeakPolarHBondContact O-CB 3.3Å; R249-V252 PolarHBondContact O-N 2.93Å; R249-L253 WeakPolarHBondContact O-CB 2.89Å; R249-L253 PolarHBondContact O-N 3.43Å
250	A	98.8	Very high	97.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.7	-36.8	175.4	0	0	0	0	0	112.3	I164 G246 C247 V252 L253 F254 V274	I164-A250 HydrophobicContact CG2-CB 4.42Å; G246-A250 WeakPolarHBondContact O-CB 3.46Å; G246-A250 PolarHBondContact O-N 3.05Å; C247-A250 PolarHBondContact O-N 3.06Å; A250-V252 VanDerWaalsContact C-N 3.32Å; A250-V252 PolarHBondContact O-N 3.13Å; A250-L253 WeakPolarHBondContact O-CB 3.35Å; A250-L253 PolarHBondContact O-N 3.12Å; A250-F254 VanDerWaalsContact O-CD2 3.28Å; A250-F254 WeakPolarHBondContact O-CD2 3.42Å; A250-F254 PolarHBondContact O-N 2.84Å; A250-V274 HydrophobicContact CB-CG1 4.02Å; A250-V274 HydrophobicContact CB-CG2 4.04Å
251	I	98.9	Very high	97.5	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.015	15%	0.147	C	C	.	.	H	α-helix	trans	-61.4	-41.3	172.2	-69.6	157	0	0	0	111.3	C247 L248 R249 R271 V274 Y275 L278 L297 L300	C247-I251 WeakPolarHBondContact O-CD1 3.36Å; C247-I251 WeakPolarHBondContact O-CG1 3.17Å; C247-I251 PolarHBondContact O-N 3.47Å; L248-I251 HydrophobicContact CD2-CD1 4.28Å; L248-I251 PolarHBondContact O-N 3.04Å; R249-I251 PolarHBondContact O-N 3.17Å; I251-R271 HydrophobicContact CG2-CG 4.38Å; I251-R271 PolarHBondContact O-NE 3.31Å; I251-R271 VanDerWaalsContact O-NE 3.13Å; I251-R271 PolarHBondContact O-NH2 3.48Å; I251-V274 HydrophobicContact CD1-CG1 4.19Å; I251-V274 HydrophobicContact CG1-CB 4.2Å; I251-V274 HydrophobicContact CG1-CG1 3.7Å; I251-Y275 HydrophobicContact CB-CE1 4.37Å; I251-Y275 HydrophobicContact CD1-CD1 3.64Å; I251-Y275 HydrophobicContact CD1-CE1 3.56Å; I251-Y275 HydrophobicContact CG1-CD1 3.93Å; I251-Y275 HydrophobicContact CG1-CE1 3.69Å; I251-Y275 HydrophobicContact CG2-CE1 3.71Å; I251-L278 HydrophobicContact CD1-CD2 4.17Å; I251-L297 HydrophobicContact CD1-CD2 3.82Å; I251-L300 HydrophobicContact CG2-CD1 3.69Å
252	V	98.8	Very high	97.4	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-65.5	-43.7	174.6	172.4	0	0	0	0	111	E185 L186 L248 R249 A250 L300 L303	E185-V252 HydrophobicContact CB-CG1 3.72Å; L186-V252 HydrophobicContact CD2-CB 4.02Å; L186-V252 HydrophobicContact CD2-CG1 3.93Å; L186-V252 HydrophobicContact CG-CG1 3.98Å; L248-V252 WeakPolarHBondContact O-CG2 3.41Å; L248-V252 PolarHBondContact O-N 3.03Å; L248-V252 VanDerWaalsContact O-N 3.12Å; R249-V252 WeakPolarHBondContact O-CB 3.3Å; R249-V252 PolarHBondContact O-N 2.93Å; A250-V252 VanDerWaalsContact C-N 3.32Å; A250-V252 PolarHBondContact O-N 3.13Å; V252-L300 HydrophobicContact CG2-CD2 3.76Å; V252-L303 HydrophobicContact CG2-CD2 4.07Å
253	L	98.8	Very high	97.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.4	-51.3	-179.9	178.1	66.2	0	0	0	111.8	W160 A161 I164 F167 L178 L179 L186 R249 A250 N255	W160-L253 HydrophobicContact CH2-CB 4.16Å; W160-L253 HydrophobicContact CH2-CD2 4.04Å; W160-L253 HydrophobicContact CZ3-CB 4.21Å; W160-L253 HydrophobicContact CZ3-CD1 4.32Å; W160-L253 HydrophobicContact CZ3-CD2 3.78Å; W160-L253 HydrophobicContact CZ3-CG 4.33Å; A161-L253 HydrophobicContact CB-CD1 4.36Å; A161-L253 HydrophobicContact CB-CD2 4.19Å; I164-L253 HydrophobicContact CB-CD2 4.36Å; I164-L253 HydrophobicContact CG1-CD2 4.25Å; I164-L253 HydrophobicContact CG2-CD2 4.36Å; F167-L253 HydrophobicContact CD2-CD1 4.25Å; F167-L253 HydrophobicContact CD2-CD2 3.71Å; F167-L253 HydrophobicContact CD2-CG 4.08Å; F167-L253 HydrophobicContact CE2-CD1 3.79Å; F167-L253 HydrophobicContact CE2-CD2 4.11Å; F167-L253 HydrophobicContact CE2-CG 4.09Å; F167-L253 HydrophobicContact CG-CD2 4.24Å; F167-L253 HydrophobicContact CZ-CD1 4.41Å; L178-L253 WeakPolarHBondContact CD2-O 3.36Å; L179-L253 HydrophobicContact CD2-CD1 4.05Å; L186-L253 HydrophobicContact CD1-CD1 4.17Å; L186-L253 HydrophobicContact CD2-CB 4.42Å; R249-L253 WeakPolarHBondContact O-CB 2.89Å; R249-L253 PolarHBondContact O-N 3.43Å; A250-L253 WeakPolarHBondContact O-CB 3.35Å; A250-L253 PolarHBondContact O-N 3.12Å; L253-N255 VanDerWaalsContact C-N 3.28Å; L253-N255 PolarHBondContact O-N 2.89Å
254	F	98.8	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-80.7	75.5	-179.8	-65.2	-57.6	0	0	0	110.6	M111 I164 F167 L170 A250 P256 V267 L270 R271 V274	M111-F254 HydrophobicContact CE-CE2 4.12Å; I164-F254 HydrophobicContact CG2-CE2 3.73Å; I164-F254 HydrophobicContact CG2-CZ 3.83Å; F167-F254 HydrophobicContact CB-CE1 4.28Å; F167-F254 HydrophobicContact CB-CZ 4.18Å; F167-F254 HydrophobicContact CD2-CE1 4Å; L170-F254 HydrophobicContact CD1-CD1 4.45Å; L170-F254 HydrophobicContact CD1-CE1 4.15Å; A250-F254 VanDerWaalsContact O-CD2 3.28Å; A250-F254 WeakPolarHBondContact O-CD2 3.42Å; A250-F254 PolarHBondContact O-N 2.84Å; F254-P256 WeakPolarHBondContact O-CD 3.25Å; F254-V267 VanDerWaalsContact C-CG1 3.44Å; F254-V267 HydrophobicContact CB-CG1 3.99Å; F254-V267 HydrophobicContact CD1-CG1 4.5Å; F254-L270 HydrophobicContact CD1-CB 3.98Å; F254-L270 HydrophobicContact CD1-CD1 3.93Å; F254-L270 HydrophobicContact CD2-CB 4.15Å; F254-L270 HydrophobicContact CE1-CB 4.17Å; F254-L270 HydrophobicContact CE1-CD1 3.58Å; F254-L270 HydrophobicContact CE1-CG 4.5Å; F254-L270 HydrophobicContact CE2-CB 4.32Å; F254-L270 HydrophobicContact CG-CB 3.97Å; F254-L270 HydrophobicContact CZ-CB 4.33Å; F254-L270 HydrophobicContact CZ-CD1 4.11Å; F254-R271 HydrophobicContact CB-CB 4.02Å; F254-R271 PolarHBondContact O-NE 2.9Å; F254-R271 PolarHBondContact O-NH2 3.39Å; F254-V274 HydrophobicContact CD2-CG2 4.15Å; F254-V274 HydrophobicContact CE2-CG2 4.29Å
255	N	98.4	Very high	96.9	Very high	15 Å²	15	35.2 Å²	35.2	8%	0.08	21%	0.209	C	C	.	.			trans	-98.1	100.1	179.9	-171.9	29.3	0	0	0	113.7	L178 L253 D257 A258 L261 R271	L178-N255 HydrophobicContact CD2-CB 4.39Å; L178-N255 WeakPolarHBondContact CD2-O 3.06Å; L253-N255 VanDerWaalsContact C-N 3.28Å; L253-N255 PolarHBondContact O-N 2.89Å; N255-D257 PolarHBondContact O-N 3.38Å; N255-D257 PolarHBondContact OD1-N 3.11Å; N255-A258 VanDerWaalsContact O-CB 3.27Å; N255-A258 WeakPolarHBondContact O-CB 3.32Å; N255-A258 PolarHBondContact O-N 3.3Å; N255-A258 VanDerWaalsContact O-N 3.1Å; N255-L261 WeakPolarHBondContact O-CD1 3.44Å; N255-R271 VanDerWaalsContact CA-NH2 3.25Å; N255-R271 PolarHBondContact OD1-NH2 3.07Å
256	P	97.8	Very high	96.8	Very high	17 Å²	17	39 Å²	39	11%	0.11	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.1	179.6	31.5	-35.6	0	0	0	112.7	F254 A258 P264 V267 E268 R271	F254-P256 WeakPolarHBondContact O-CD 3.25Å; P256-A258 PolarHBondContact O-N 2.92Å; P256-P264 WeakPolarHBondContact CB-O 3.47Å; P256-V267 HydrophobicContact CB-CB 4.45Å; P256-V267 HydrophobicContact CB-CG1 4.43Å; P256-E268 HydrophobicContact CB-CB 3.88Å; P256-E268 HydrophobicContact CG-CB 4.09Å; P256-E268 HydrophobicContact CG-CG 4.47Å; P256-R271 VanDerWaalsContact CD-CZ 3.41Å; P256-R271 VanDerWaalsContact CD-NH1 3.3Å
257	D	96.3	Very high	96.8	Very high	128 Å²	128	39 Å²	39	68%	0.684	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.4	176.3	-58.5	-49.3	0	0	0	113	N255 K259	N255-D257 PolarHBondContact O-N 3.38Å; N255-D257 PolarHBondContact OD1-N 3.11Å; D257-K259 PolarHBondContact O-N 3.39Å
258	A	94.9	Very high	96.8	Very high	9 Å²	9	43.5 Å²	43.5	7%	0.074	25%	0.248	C	C	.	.	S	Bend	trans	-65.5	127.6	177.2	0	0	0	0	0	110.1	I177 L178 A181 N255 P256 L261	I177-A258 HydrophobicContact CG2-CB 3.7Å; L178-A258 HydrophobicContact CD2-CB 4.27Å; A181-A258 HydrophobicContact CB-CB 3.95Å; N255-A258 VanDerWaalsContact O-CB 3.27Å; N255-A258 WeakPolarHBondContact O-CB 3.32Å; N255-A258 PolarHBondContact O-N 3.3Å; N255-A258 VanDerWaalsContact O-N 3.1Å; P256-A258 PolarHBondContact O-N 2.92Å; A258-L261 HydrophobicContact CB-CD1 3.97Å; A258-L261 HydrophobicContact CB-CG 4.13Å; A258-L261 WeakPolarHBondContact O-CG 3.38Å
259	K	92.5	Very high	96.7	Very high	197 Å²	197	45.9 Å²	45.9	86%	0.857	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	133.1	-176	-66.2	-178.9	-179.9	176.6	0	110.5	D257	D257-K259 PolarHBondContact O-N 3.39Å
260	G	92.8	Very high	96.6	Very high	57 Å²	57	46 Å²	46	59%	0.588	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.7	-1.4	176.3	0	0	0	0	0	114.5	I177	I177-G260 VanDerWaalsContact CD1-C 3.46Å; I177-G260 VanDerWaalsContact CD1-O 3.28Å; I177-G260 WeakPolarHBondContact CD1-O 3.3Å
261	L	93.8	Very high	96.6	Very high	17 Å²	17	47.7 Å²	47.7	9%	0.089	27%	0.27	C	S	.	.			trans	-60	137.6	178.1	-70.8	173.8	0	0	0	112	D174 I177 L178 N255 A258 P264 V267	D174-L261 HydrophobicContact CB-CD2 3.83Å; D174-L261 VanDerWaalsContact OD1-CA 3.25Å; D174-L261 WeakPolarHBondContact OD1-CA 3.08Å; D174-L261 WeakPolarHBondContact OD1-CD2 3.49Å; I177-L261 HydrophobicContact CB-CD2 4.21Å; I177-L261 HydrophobicContact CG2-CD2 3.82Å; I177-L261 HydrophobicContact CG2-CG 4.1Å; L178-L261 HydrophobicContact CD2-CD1 4.25Å; L178-L261 HydrophobicContact CD2-CD2 3.99Å; L178-L261 HydrophobicContact CG-CD2 4.04Å; N255-L261 WeakPolarHBondContact O-CD1 3.44Å; A258-L261 HydrophobicContact CB-CD1 3.97Å; A258-L261 HydrophobicContact CB-CG 4.13Å; A258-L261 WeakPolarHBondContact O-CG 3.38Å; L261-P264 HydrophobicContact CB-CG 4.01Å; L261-V267 HydrophobicContact CD1-CB 4.43Å; L261-V267 HydrophobicContact CD1-CG2 4.1Å; L261-V267 HydrophobicContact CD2-CG2 4.36Å
262	S	95.8	Very high	96.6	Very high	77 Å²	77	52.9 Å²	52.9	54%	0.538	29%	0.294	S	S	.	.	S	Bend	trans	-69.9	-41.2	177.7	79.2	0	0	0	0	111.8	D174	D174-S262 PolarHBondContact OD1-N 3.07Å; D174-S262 PolarHBondContact OD2-OG 3.03Å
263	N	93.2	Very high	96.5	Very high	69 Å²	69	55.6 Å²	55.6	37%	0.369	31%	0.305	S	S	.	.			trans	-138.5	82.5	178.4	-171.3	4.8	0	0	0	111.7	S265 E266	N263-S265 PolarHBondContact O-N 3.13Å; N263-S265 VanDerWaalsContact O-N 3.17Å; N263-S265 PolarHBondContact OD1-N 3.4Å; N263-E266 HydrophobicContact CB-CB 4.23Å; N263-E266 WeakPolarHBondContact ND2-CB 3.42Å; N263-E266 PolarHBondContact ND2-OE2 3.22Å; N263-E266 PolarHBondContact O-N 3.02Å
264	P	96.2	Very high	96.5	Very high	58 Å²	58	55.6 Å²	55.6	38%	0.377	31%	0.305	S	S	.	.	H	α-helix	trans	-55.9	-31.6	178.1	-25.8	33.2	0	0	0	114.4	P256 L261 E266 V267 E268	P256-P264 WeakPolarHBondContact CB-O 3.47Å; L261-P264 HydrophobicContact CB-CG 4.01Å; P264-E266 PolarHBondContact O-N 3.32Å; P264-V267 PolarHBondContact O-N 2.96Å; P264-E268 PolarHBondContact O-N 3.22Å
265	S	96.1	Very high	96.5	Very high	68 Å²	68	59.2 Å²	59.2	48%	0.476	32%	0.319	S	S	.	.	H	α-helix	trans	-68.9	-33.7	-177.5	-178.8	0	0	0	0	112.7	N263 E268 T269	N263-S265 PolarHBondContact O-N 3.13Å; N263-S265 VanDerWaalsContact O-N 3.17Å; N263-S265 PolarHBondContact OD1-N 3.4Å; S265-E268 PolarHBondContact O-N 2.82Å; S265-T269 WeakPolarHBondContact O-CB 3.49Å; S265-T269 PolarHBondContact O-N 3.3Å; S265-T269 PolarHBondContact O-OG1 3.46Å
266	E	96.1	Very high	96.5	Very high	82 Å²	82	61.2 Å²	61.2	38%	0.383	34%	0.338	S	S	.	.	H	α-helix	trans	-66.7	-42.8	173.8	178.3	173.8	-171.4	0	0	111.2	L170 N263 P264 E268 T269 L270	L170-E266 HydrophobicContact CD2-CG 3.97Å; N263-E266 HydrophobicContact CB-CB 4.23Å; N263-E266 WeakPolarHBondContact ND2-CB 3.42Å; N263-E266 PolarHBondContact ND2-OE2 3.22Å; N263-E266 PolarHBondContact O-N 3.02Å; P264-E266 PolarHBondContact O-N 3.32Å; E266-E268 VanDerWaalsContact C-N 3.35Å; E266-E268 PolarHBondContact O-N 2.7Å; E266-T269 WeakPolarHBondContact O-CB 3.43Å; E266-T269 PolarHBondContact O-N 3.44Å; E266-L270 WeakPolarHBondContact O-CG 3.39Å; E266-L270 PolarHBondContact O-N 3.33Å
267	V	98.3	Very high	96.4	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.006	34%	0.34	C	S	.	.	H	α-helix	trans	-63.1	-41.4	175.1	179.6	0	0	0	0	111.5	L170 L178 F254 P256 L261 P264 T269 L270 R271	L170-V267 HydrophobicContact CD1-CG2 4.46Å; L178-V267 HydrophobicContact CD1-CG1 4.39Å; L178-V267 HydrophobicContact CD1-CG2 4.24Å; L178-V267 HydrophobicContact CD2-CG1 3.9Å; F254-V267 VanDerWaalsContact C-CG1 3.44Å; F254-V267 HydrophobicContact CB-CG1 3.99Å; F254-V267 HydrophobicContact CD1-CG1 4.5Å; P256-V267 HydrophobicContact CB-CB 4.45Å; P256-V267 HydrophobicContact CB-CG1 4.43Å; L261-V267 HydrophobicContact CD1-CB 4.43Å; L261-V267 HydrophobicContact CD1-CG2 4.1Å; L261-V267 HydrophobicContact CD2-CG2 4.36Å; P264-V267 PolarHBondContact O-N 2.96Å; V267-T269 VanDerWaalsContact C-N 3.34Å; V267-L270 PolarHBondContact O-N 3.01Å; V267-R271 PolarHBondContact O-N 3.06Å
268	E	98.2	Very high	96.5	Very high	95 Å²	95	55.5 Å²	55.5	44%	0.444	31%	0.307	S	S	.	.	H	α-helix	trans	-59.9	-44.5	174	-175.2	169	-141.1	0	0	111.4	P256 P264 S265 E266 L270 R271 E272	P256-E268 HydrophobicContact CB-CB 3.88Å; P256-E268 HydrophobicContact CG-CB 4.09Å; P256-E268 HydrophobicContact CG-CG 4.47Å; P264-E268 PolarHBondContact O-N 3.22Å; S265-E268 PolarHBondContact O-N 2.82Å; E266-E268 VanDerWaalsContact C-N 3.35Å; E266-E268 PolarHBondContact O-N 2.7Å; E268-L270 VanDerWaalsContact C-N 3.34Å; E268-L270 PolarHBondContact O-N 3.32Å; E268-R271 WeakPolarHBondContact O-CB 3.39Å; E268-R271 PolarHBondContact O-N 3.15Å; E268-R271 VanDerWaalsContact O-N 3.13Å; E268-E272 WeakPolarHBondContact O-CG 3.48Å; E268-E272 PolarHBondContact O-N 3.17Å
269	T	97.3	Very high	96.7	Very high	57 Å²	57	58.6 Å²	58.6	35%	0.35	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-42.3	177.1	-58.2	0	0	0	0	111.6	S265 E266 V267 E272 K273	S265-T269 WeakPolarHBondContact O-CB 3.49Å; S265-T269 PolarHBondContact O-N 3.3Å; S265-T269 PolarHBondContact O-OG1 3.46Å; E266-T269 WeakPolarHBondContact O-CB 3.43Å; E266-T269 PolarHBondContact O-N 3.44Å; V267-T269 VanDerWaalsContact C-N 3.34Å; T269-E272 PolarHBondContact O-N 3.48Å; T269-K273 WeakPolarHBondContact O-CG 3.39Å; T269-K273 PolarHBondContact O-N 3.5Å
270	L	98.1	Very high	96.9	Very high	9 Å²	9	52 Å²	52	5%	0.047	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-41.3	175.1	-67.5	177.5	0	0	0	111.9	M111 H166 L170 F254 E266 V267 E268 K273 V274	M111-L270 HydrophobicContact CE-CD2 4.18Å; H166-L270 HydrophobicContact CB-CD1 4.18Å; H166-L270 HydrophobicContact CB-CD2 3.6Å; L170-L270 HydrophobicContact CD1-CD1 4.18Å; L170-L270 HydrophobicContact CD2-CD1 3.96Å; L170-L270 HydrophobicContact CG-CD1 4.22Å; F254-L270 HydrophobicContact CD1-CB 3.98Å; F254-L270 HydrophobicContact CD1-CD1 3.93Å; F254-L270 HydrophobicContact CD2-CB 4.15Å; F254-L270 HydrophobicContact CE1-CB 4.17Å; F254-L270 HydrophobicContact CE1-CD1 3.58Å; F254-L270 HydrophobicContact CE1-CG 4.5Å; F254-L270 HydrophobicContact CE2-CB 4.32Å; F254-L270 HydrophobicContact CG-CB 3.97Å; F254-L270 HydrophobicContact CZ-CB 4.33Å; F254-L270 HydrophobicContact CZ-CD1 4.11Å; E266-L270 WeakPolarHBondContact O-CG 3.39Å; E266-L270 PolarHBondContact O-N 3.33Å; V267-L270 PolarHBondContact O-N 3.01Å; E268-L270 VanDerWaalsContact C-N 3.34Å; E268-L270 PolarHBondContact O-N 3.32Å; L270-K273 HydrophobicContact CD2-CD 4.38Å; L270-K273 WeakPolarHBondContact O-CB 3.32Å; L270-K273 PolarHBondContact O-N 3.24Å; L270-V274 WeakPolarHBondContact O-CG2 3.43Å; L270-V274 PolarHBondContact O-N 3.01Å; L270-V274 VanDerWaalsContact O-N 3.11Å
271	R	98.5	Very high	97.2	Very high	36 Å²	36	50.6 Å²	50.6	14%	0.136	28%	0.279	C	S	.	.	H	α-helix	trans	-62	-42.7	174.4	176.1	-176	-84.7	-178.5	-2.9	111.8	I251 F254 N255 P256 V267 E268 K273 V274 Y275	I251-R271 HydrophobicContact CG2-CG 4.38Å; I251-R271 PolarHBondContact O-NE 3.31Å; I251-R271 VanDerWaalsContact O-NE 3.13Å; I251-R271 PolarHBondContact O-NH2 3.48Å; F254-R271 HydrophobicContact CB-CB 4.02Å; F254-R271 PolarHBondContact O-NE 2.9Å; F254-R271 PolarHBondContact O-NH2 3.39Å; N255-R271 VanDerWaalsContact CA-NH2 3.25Å; N255-R271 PolarHBondContact OD1-NH2 3.07Å; P256-R271 VanDerWaalsContact CD-CZ 3.41Å; P256-R271 VanDerWaalsContact CD-NH1 3.3Å; V267-R271 PolarHBondContact O-N 3.06Å; E268-R271 WeakPolarHBondContact O-CB 3.39Å; E268-R271 PolarHBondContact O-N 3.15Å; E268-R271 VanDerWaalsContact O-N 3.13Å; R271-K273 VanDerWaalsContact C-N 3.34Å; R271-K273 PolarHBondContact O-N 2.88Å; R271-V274 PolarHBondContact O-N 3.1Å; R271-V274 VanDerWaalsContact O-N 3.16Å; R271-Y275 WeakPolarHBondContact CD-OH 3.32Å; R271-Y275 HydrophobicContact CG-CD2 4.32Å; R271-Y275 HydrophobicContact CG-CE1 4.48Å; R271-Y275 HydrophobicContact CG-CE2 3.68Å; R271-Y275 PolarHBondContact O-N 3.32Å
272	E	97.8	Very high	97.3	Very high	111 Å²	111	50 Å²	50	52%	0.519	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-40.5	176.3	-72.3	-179.3	166.7	0	0	112.2	E268 T269 V274 Y275 A276	E268-E272 WeakPolarHBondContact O-CG 3.48Å; E268-E272 PolarHBondContact O-N 3.17Å; T269-E272 PolarHBondContact O-N 3.48Å; E272-V274 VanDerWaalsContact C-N 3.32Å; E272-V274 PolarHBondContact O-N 2.95Å; E272-Y275 WeakPolarHBondContact O-CB 3.34Å; E272-Y275 PolarHBondContact O-N 3.32Å; E272-Y275 VanDerWaalsContact O-N 3.13Å; E272-A276 PolarHBondContact O-N 2.97Å
273	K	97.6	Very high	97.4	Very high	65 Å²	65	52.5 Å²	52.5	28%	0.283	28%	0.278	S	S	.	.	H	α-helix	trans	-58.6	-43.4	172.2	-69.8	172.7	-175.2	173.5	0	111.4	D110 M111 T269 L270 R271 Y275 A276 T277	D110-K273 WeakPolarHBondContact OD2-CE 3.45Å; D110-K273 IonicContact OD2-NZ 2.66Å; D110-K273 PolarHBondContact OD2-NZ 3.48Å; M111-K273 HydrophobicContact CB-CB 3.87Å; M111-K273 HydrophobicContact CG-CB 4.36Å; T269-K273 WeakPolarHBondContact O-CG 3.39Å; T269-K273 PolarHBondContact O-N 3.5Å; L270-K273 HydrophobicContact CD2-CD 4.38Å; L270-K273 WeakPolarHBondContact O-CB 3.32Å; L270-K273 PolarHBondContact O-N 3.24Å; R271-K273 VanDerWaalsContact C-N 3.34Å; R271-K273 PolarHBondContact O-N 2.88Å; K273-Y275 VanDerWaalsContact C-N 3.34Å; K273-Y275 PolarHBondContact O-N 2.99Å; K273-A276 PolarHBondContact O-N 3.27Å; K273-T277 PolarHBondContact O-N 2.8Å; K273-T277 PolarHBondContact O-OG1 3.42Å; K273-T277 VanDerWaalsContact O-OG1 3.06Å
274	V	98.5	Very high	97.6	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-36.9	175.6	-177.3	0	0	0	0	111.8	M111 C247 A250 I251 F254 L270 R271 E272 T277 L278	M111-V274 HydrophobicContact CE-CG2 4.05Å; M111-V274 HydrophobicContact CG-CG2 3.8Å; M111-V274 HydrophobicContact SD-CG2 3.91Å; C247-V274 HydrophobicContact CB-CG1 4.1Å; C247-V274 WeakPolarHBondContact O-CG1 3.38Å; A250-V274 HydrophobicContact CB-CG1 4.02Å; A250-V274 HydrophobicContact CB-CG2 4.04Å; I251-V274 HydrophobicContact CD1-CG1 4.19Å; I251-V274 HydrophobicContact CG1-CB 4.2Å; I251-V274 HydrophobicContact CG1-CG1 3.7Å; F254-V274 HydrophobicContact CD2-CG2 4.15Å; F254-V274 HydrophobicContact CE2-CG2 4.29Å; L270-V274 WeakPolarHBondContact O-CG2 3.43Å; L270-V274 PolarHBondContact O-N 3.01Å; L270-V274 VanDerWaalsContact O-N 3.11Å; R271-V274 PolarHBondContact O-N 3.1Å; R271-V274 VanDerWaalsContact O-N 3.16Å; E272-V274 VanDerWaalsContact C-N 3.32Å; E272-V274 PolarHBondContact O-N 2.95Å; V274-T277 PolarHBondContact O-N 3.47Å; V274-L278 WeakPolarHBondContact O-CB 3.25Å; V274-L278 PolarHBondContact O-N 2.79Å
275	Y	98.5	Very high	97.6	Very high	76 Å²	76	59 Å²	59	30%	0.298	30%	0.299	S	S	.	.	H	α-helix	trans	-60.1	-47.5	172.8	-68.4	-40	0	0	0	111.8	I251 R271 E272 K273 L278 E279 F293 L297	I251-Y275 HydrophobicContact CB-CE1 4.37Å; I251-Y275 HydrophobicContact CD1-CD1 3.64Å; I251-Y275 HydrophobicContact CD1-CE1 3.56Å; I251-Y275 HydrophobicContact CG1-CD1 3.93Å; I251-Y275 HydrophobicContact CG1-CE1 3.69Å; I251-Y275 HydrophobicContact CG2-CE1 3.71Å; R271-Y275 WeakPolarHBondContact CD-OH 3.32Å; R271-Y275 HydrophobicContact CG-CD2 4.32Å; R271-Y275 HydrophobicContact CG-CE1 4.48Å; R271-Y275 HydrophobicContact CG-CE2 3.68Å; R271-Y275 PolarHBondContact O-N 3.32Å; E272-Y275 WeakPolarHBondContact O-CB 3.34Å; E272-Y275 PolarHBondContact O-N 3.32Å; E272-Y275 VanDerWaalsContact O-N 3.13Å; K273-Y275 VanDerWaalsContact C-N 3.34Å; K273-Y275 PolarHBondContact O-N 2.99Å; Y275-L278 PolarHBondContact O-N 2.82Å; Y275-E279 WeakPolarHBondContact O-CB 3.48Å; Y275-E279 PolarHBondContact O-N 3.33Å; Y275-F293 WeakPolarHBondContact O-CE2 3.35Å; Y275-L297 HydrophobicContact CD1-CD2 4.05Å; Y275-L297 HydrophobicContact CE1-CD2 3.81Å
276	A	97.6	Very high	97.7	Very high	57 Å²	57	58 Å²	58	47%	0.471	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-46	178.1	0	0	0	0	0	111.6	E272 K273 L278 E279 A280	E272-A276 PolarHBondContact O-N 2.97Å; K273-A276 PolarHBondContact O-N 3.27Å; A276-L278 PolarHBondContact O-N 2.6Å; A276-E279 PolarHBondContact O-N 3.47Å; A276-A280 WeakPolarHBondContact O-CB 3.47Å; A276-A280 PolarHBondContact O-N 3.31Å
277	T	97.4	Very high	97.7	Very high	25 Å²	25	58.2 Å²	58.2	15%	0.153	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-48.3	176.5	-62.3	0	0	0	0	111.8	M111 V113 K273 V274 A280 Y281	M111-T277 WeakPolarHBondContact O-CG2 3.41Å; M111-T277 PolarHBondContact O-OG1 3.48Å; V113-T277 HydrophobicContact CB-CG2 3.69Å; V113-T277 HydrophobicContact CG2-CG2 4.36Å; K273-T277 PolarHBondContact O-N 2.8Å; K273-T277 PolarHBondContact O-OG1 3.42Å; K273-T277 VanDerWaalsContact O-OG1 3.06Å; V274-T277 PolarHBondContact O-N 3.47Å; T277-A280 PolarHBondContact O-N 3.44Å; T277-Y281 VanDerWaalsContact O-CB 3.31Å; T277-Y281 WeakPolarHBondContact O-CB 3.39Å; T277-Y281 PolarHBondContact O-N 3.03Å
278	L	98.4	Very high	97.6	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-67.2	-38.3	-179.9	-178	58.5	0	0	0	112	E244 C247 L248 I251 V274 Y275 A276 Y281 T282 F293 L296	E244-L278 HydrophobicContact CB-CD1 4.48Å; E244-L278 HydrophobicContact CG-CD1 4.21Å; C247-L278 HydrophobicContact CB-CB 4Å; C247-L278 HydrophobicContact CB-CD1 3.75Å; C247-L278 HydrophobicContact CB-CD2 3.97Å; C247-L278 HydrophobicContact CB-CG 4.1Å; L248-L278 HydrophobicContact CD2-CD2 4.2Å; I251-L278 HydrophobicContact CD1-CD2 4.17Å; V274-L278 WeakPolarHBondContact O-CB 3.25Å; V274-L278 PolarHBondContact O-N 2.79Å; Y275-L278 PolarHBondContact O-N 2.82Å; A276-L278 PolarHBondContact O-N 2.6Å; L278-Y281 PolarHBondContact O-N 3.38Å; L278-T282 HydrophobicContact CD1-CG2 4.17Å; L278-T282 WeakPolarHBondContact O-CG2 3.42Å; L278-T282 PolarHBondContact O-N 3.35Å; L278-T282 PolarHBondContact O-OG1 3.47Å; L278-F293 HydrophobicContact CB-CD2 4.35Å; L278-F293 HydrophobicContact CB-CE2 4.11Å; L278-F293 HydrophobicContact CD2-CD2 4.25Å; L278-F293 HydrophobicContact CD2-CE2 4.19Å; L278-F293 HydrophobicContact CG-CD2 3.96Å; L278-F293 HydrophobicContact CG-CE2 4.1Å; L278-L296 HydrophobicContact CD1-CD1 4.04Å; L278-L296 HydrophobicContact CD2-CD1 4.44Å; L278-L296 HydrophobicContact CG-CD1 4.47Å
279	E	98.1	Very high	97.6	Very high	74 Å²	74	66.1 Å²	66.1	35%	0.346	33%	0.331	S	S	.	.	H	α-helix	trans	-63.7	-47.1	175.8	-168.4	-174.7	-171.4	0	0	111	Y275 A276 T282 K283 F293	Y275-E279 WeakPolarHBondContact O-CB 3.48Å; Y275-E279 PolarHBondContact O-N 3.33Å; A276-E279 PolarHBondContact O-N 3.47Å; E279-T282 PolarHBondContact O-N 3.37Å; E279-T282 PolarHBondContact O-OG1 3.27Å; E279-K283 HydrophobicContact CG-CD 4.26Å; E279-K283 WeakPolarHBondContact O-CB 3.4Å; E279-K283 WeakPolarHBondContact O-CG 3.21Å; E279-K283 PolarHBondContact O-N 2.94Å; E279-K283 VanDerWaalsContact OE1-CE 3.23Å; E279-K283 WeakPolarHBondContact OE1-CE 3.34Å; E279-K283 IonicContact OE1-NZ 2.64Å; E279-K283 PolarHBondContact OE1-NZ 3.15Å; E279-K283 IonicContact OE2-NZ 3.14Å; E279-F293 HydrophobicContact CB-CD1 4.45Å; E279-F293 HydrophobicContact CB-CD2 3.88Å; E279-F293 HydrophobicContact CB-CE1 4.41Å; E279-F293 HydrophobicContact CB-CE2 3.83Å; E279-F293 HydrophobicContact CB-CG 4.19Å; E279-F293 HydrophobicContact CB-CZ 4.1Å; E279-F293 HydrophobicContact CG-CD1 4.21Å; E279-F293 HydrophobicContact CG-CD2 4.36Å; E279-F293 HydrophobicContact CG-CE1 4.44Å; E279-F293 HydrophobicContact CG-CG 4.16Å
280	A	97.1	Very high	97.4	Very high	57 Å²	57	69.4 Å²	69.4	47%	0.471	35%	0.353	S	S	.	.	H	α-helix	trans	-59.9	-47.6	176	0	0	0	0	0	111.5	A276 T277 T282 K283 Q284	A276-A280 WeakPolarHBondContact O-CB 3.47Å; A276-A280 PolarHBondContact O-N 3.31Å; T277-A280 PolarHBondContact O-N 3.44Å; A280-T282 PolarHBondContact O-N 3.26Å; A280-K283 PolarHBondContact O-N 3.48Å; A280-Q284 WeakPolarHBondContact O-CB 3.36Å; A280-Q284 PolarHBondContact O-N 3.21Å
281	Y	98.1	Very high	97.4	Very high	28 Å²	28	70.6 Å²	70.6	11%	0.11	37%	0.368	C	S	.	.	H	α-helix	trans	-56.4	-49.2	177.6	-178.6	-98.9	0	0	0	112.2	V113 D241 S243 E244 T277 L278 K283 Q284 K285 Y286	V113-Y281 HydrophobicContact CB-CD2 4.36Å; V113-Y281 HydrophobicContact CG1-CD2 3.95Å; V113-Y281 HydrophobicContact CG1-CE2 4.42Å; V113-Y281 HydrophobicContact CG2-CD2 3.73Å; V113-Y281 HydrophobicContact CG2-CE2 4.08Å; V113-Y281 HydrophobicContact CG2-CG 4.15Å; D241-Y281 WeakPolarHBondContact OD2-CE1 3.41Å; D241-Y281 PolarHBondContact OD2-OH 3.3Å; S243-Y281 VanDerWaalsContact CB-CZ 3.41Å; S243-Y281 VanDerWaalsContact CB-OH 3.25Å; S243-Y281 WeakPolarHBondContact CB-OH 3.27Å; S243-Y281 PolarHBondContact OG-OH 2.92Å; S243-Y281 VanDerWaalsContact OG-OH 3.13Å; E244-Y281 HydrophobicContact CG-CD1 4.16Å; E244-Y281 HydrophobicContact CG-CE1 3.88Å; T277-Y281 VanDerWaalsContact O-CB 3.31Å; T277-Y281 WeakPolarHBondContact O-CB 3.39Å; T277-Y281 PolarHBondContact O-N 3.03Å; L278-Y281 PolarHBondContact O-N 3.38Å; Y281-K283 PolarHBondContact O-N 3.11Å; Y281-Q284 PolarHBondContact O-N 3.2Å; Y281-K285 HydrophobicContact CE1-CB 4.46Å; Y281-K285 HydrophobicContact CE1-CD 3.71Å; Y281-K285 HydrophobicContact CE2-CD 4.08Å; Y281-K285 WeakPolarHBondContact O-CB 3.45Å; Y281-K285 PolarHBondContact O-N 3.16Å; Y281-K285 WeakPolarHBondContact OH-CD 3.42Å; Y281-K285 PolarHBondContact OH-NZ 3.37Å; Y281-Y286 HydrophobicContact CE1-CE2 4.28Å
282	T	97.8	Very high	97.3	Very high	5 Å²	5	69 Å²	69	3%	0.031	36%	0.362	C	S	.	.	H	α-helix	trans	-66.6	-38.5	-179.1	54	0	0	0	0	112.5	L278 E279 A280 Q284 Y286 R292 L296	L278-T282 HydrophobicContact CD1-CG2 4.17Å; L278-T282 WeakPolarHBondContact O-CG2 3.42Å; L278-T282 PolarHBondContact O-N 3.35Å; L278-T282 PolarHBondContact O-OG1 3.47Å; E279-T282 PolarHBondContact O-N 3.37Å; E279-T282 PolarHBondContact O-OG1 3.27Å; A280-T282 PolarHBondContact O-N 3.26Å; T282-Q284 VanDerWaalsContact C-N 3.34Å; T282-Y286 CarbonylContact O-C 3.49Å; T282-Y286 WeakPolarHBondContact O-CA 3.28Å; T282-Y286 WeakPolarHBondContact O-CB 3.48Å; T282-Y286 PolarHBondContact O-N 3.11Å; T282-R292 HydrophobicContact CG2-CG 4.17Å; T282-L296 HydrophobicContact CG2-CD1 3.64Å
283	K	96.9	Very high	97.4	Very high	129 Å²	129	65.7 Å²	65.7	56%	0.561	35%	0.346	S	S	*	.	H	α-helix	trans	-63	-40.5	174.7	-75.1	174	-177.6	165.8	0	112	E279 A280 Y281	E279-K283 HydrophobicContact CG-CD 4.26Å; E279-K283 WeakPolarHBondContact O-CB 3.4Å; E279-K283 WeakPolarHBondContact O-CG 3.21Å; E279-K283 PolarHBondContact O-N 2.94Å; E279-K283 VanDerWaalsContact OE1-CE 3.23Å; E279-K283 WeakPolarHBondContact OE1-CE 3.34Å; E279-K283 IonicContact OE1-NZ 2.64Å; E279-K283 PolarHBondContact OE1-NZ 3.15Å; E279-K283 IonicContact OE2-NZ 3.14Å; A280-K283 PolarHBondContact O-N 3.48Å; Y281-K283 PolarHBondContact O-N 3.11Å
284	Q	96.7	Very high	97.4	Very high	164 Å²	164	65 Å²	65	77%	0.766	35%	0.352	S	S	*	.	H	α-helix	trans	-74.6	-48.3	-178.6	-174.7	-176.4	10.2	0	0	112.3	A280 Y281 T282	A280-Q284 WeakPolarHBondContact O-CB 3.36Å; A280-Q284 PolarHBondContact O-N 3.21Å; Y281-Q284 PolarHBondContact O-N 3.2Å; T282-Q284 VanDerWaalsContact C-N 3.34Å
285	K	97.4	Very high	97.4	Very high	101 Å²	101	71 Å²	71	44%	0.439	38%	0.378	S	S	.	.	H	α-helix	trans	-83.4	-29.9	-173.5	-171.8	173.1	-179.1	-172.1	0	113.5	D241 Y281 P287	D241-K285 IonicContact OD2-NZ 2.62Å; D241-K285 PolarHBondContact OD2-NZ 3.31Å; Y281-K285 HydrophobicContact CE1-CB 4.46Å; Y281-K285 HydrophobicContact CE1-CD 3.71Å; Y281-K285 HydrophobicContact CE2-CD 4.08Å; Y281-K285 WeakPolarHBondContact O-CB 3.45Å; Y281-K285 PolarHBondContact O-N 3.16Å; Y281-K285 WeakPolarHBondContact OH-CD 3.42Å; Y281-K285 PolarHBondContact OH-NZ 3.37Å; K285-P287 WeakPolarHBondContact O-CD 3.33Å
286	Y	96.9	Very high	97.4	Very high	47 Å²	47	67.4 Å²	67.4	18%	0.184	36%	0.364	C	S	.	.			trans	-128.1	58.9	-175.8	-56.7	-83	0	0	0	112.1	D241 E244 Y281 T282 E288 Q289 R292	D241-Y286 PolarHBondContact OD2-OH 3.36Å; E244-Y286 WeakPolarHBondContact OE1-CE2 3.31Å; Y281-Y286 HydrophobicContact CE1-CE2 4.28Å; T282-Y286 CarbonylContact O-C 3.49Å; T282-Y286 WeakPolarHBondContact O-CA 3.28Å; T282-Y286 WeakPolarHBondContact O-CB 3.48Å; T282-Y286 PolarHBondContact O-N 3.11Å; Y286-E288 PolarHBondContact O-N 3.14Å; Y286-E288 VanDerWaalsContact O-N 3.16Å; Y286-Q289 PolarHBondContact O-N 3.17Å; Y286-R292 VanDerWaalsContact CB-CD 3.49Å; Y286-R292 VanDerWaalsContact CE2-NE 3.28Å
287	P	96.6	Very high	97.5	Very high	86 Å²	86	66.7 Å²	66.7	56%	0.558	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-29.7	-177.3	25.3	-34.8	0	0	0	112.9	K285 Q289	K285-P287 WeakPolarHBondContact O-CD 3.33Å; P287-Q289 PolarHBondContact O-N 3.4Å
288	E	97.3	Very high	97.5	Very high	174 Å²	174	70.6 Å²	70.6	81%	0.813	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.3	177.4	-58.4	-56	136.6	0	0	113.8	Y286 P290	Y286-E288 PolarHBondContact O-N 3.14Å; Y286-E288 VanDerWaalsContact O-N 3.16Å; E288-P290 VanDerWaalsContact C-CD 3.49Å; E288-P290 WeakPolarHBondContact O-CD 3.11Å
289	Q	96.8	Very high	97.5	Very high	87 Å²	87	73.2 Å²	73.2	41%	0.407	38%	0.381	S	S	.	.			trans	-122.4	70.5	-177	-58.7	-178	29.3	0	0	111.2	Y286 P287 G291 R292	Y286-Q289 PolarHBondContact O-N 3.17Å; P287-Q289 PolarHBondContact O-N 3.4Å; Q289-G291 PolarHBondContact O-N 3.05Å; Q289-R292 HydrophobicContact CB-CB 3.93Å; Q289-R292 WeakPolarHBondContact O-CB 3.39Å; Q289-R292 PolarHBondContact O-N 2.85Å
290	P	94.3	Very high	97.5	Very high	126 Å²	126	71.2 Å²	71.2	82%	0.818	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-25	-175.2	23.7	-34.6	0	0	0	113.5	E288	E288-P290 VanDerWaalsContact C-CD 3.49Å; E288-P290 WeakPolarHBondContact O-CD 3.11Å
291	G	96.5	Very high	97.6	Very high	35 Å²	35	72.4 Å²	72.4	36%	0.361	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	4.6	175.8	0	0	0	0	0	115.2	Q289 A294 K295	Q289-G291 PolarHBondContact O-N 3.05Å; G291-A294 PolarHBondContact O-N 3.18Å; G291-K295 WeakPolarHBondContact O-CB 3.17Å; G291-K295 VanDerWaalsContact O-CG 3.32Å; G291-K295 WeakPolarHBondContact O-CG 3.38Å; G291-K295 PolarHBondContact O-N 2.99Å
292	R	98.3	Very high	97.6	Very high	3 Å²	3	71.8 Å²	71.8	1%	0.011	38%	0.377	C	S	.	.	H	α-helix	trans	-64.4	-46.7	-172.4	-171.7	170.4	-178.1	86.3	2.4	112.6	M238 Q239 E244 T282 Y286 Q289 A294 K295 L296	M238-R292 PolarHBondContact O-NH1 3.47Å; M238-R292 PolarHBondContact O-NH2 3.22Å; Q239-R292 PolarHBondContact O-NH2 2.9Å; Q239-R292 VanDerWaalsContact O-NH2 3.11Å; E244-R292 IonicContact OE1-CZ 2.58Å; E244-R292 IonicContact OE1-NE 3.01Å; E244-R292 PolarHBondContact OE1-NE 3.03Å; E244-R292 IonicContact OE1-NH2 3.97Å; E244-R292 PolarHBondContact OE1-NH2 3.19Å; E244-R292 IonicContact OE2-CZ 3.44Å; E244-R292 IonicContact OE2-NE 3.47Å; E244-R292 IonicContact OE2-NH2 2.72Å; E244-R292 PolarHBondContact OE2-NH2 3.04Å; T282-R292 HydrophobicContact CG2-CG 4.17Å; Y286-R292 VanDerWaalsContact CB-CD 3.49Å; Y286-R292 VanDerWaalsContact CE2-NE 3.28Å; Q289-R292 HydrophobicContact CB-CB 3.93Å; Q289-R292 WeakPolarHBondContact O-CB 3.39Å; Q289-R292 PolarHBondContact O-N 2.85Å; R292-A294 PolarHBondContact O-N 3.13Å; R292-K295 PolarHBondContact O-N 3.36Å; R292-K295 VanDerWaalsContact O-N 3.17Å; R292-L296 HydrophobicContact CG-CD1 4.24Å; R292-L296 HydrophobicContact CG-CG 4.49Å; R292-L296 WeakPolarHBondContact O-CG 3.41Å; R292-L296 PolarHBondContact O-N 3.28Å
293	F	98.6	Very high	97.6	Very high	41 Å²	41	72 Å²	72	18%	0.18	38%	0.377	C	S	.	.	H	α-helix	trans	-51.8	-53.5	174.7	177.6	-112.9	0	0	0	112	Y275 L278 E279 K295 L296 L297	Y275-F293 WeakPolarHBondContact O-CE2 3.35Å; L278-F293 HydrophobicContact CB-CD2 4.35Å; L278-F293 HydrophobicContact CB-CE2 4.11Å; L278-F293 HydrophobicContact CD2-CD2 4.25Å; L278-F293 HydrophobicContact CD2-CE2 4.19Å; L278-F293 HydrophobicContact CG-CD2 3.96Å; L278-F293 HydrophobicContact CG-CE2 4.1Å; E279-F293 HydrophobicContact CB-CD1 4.45Å; E279-F293 HydrophobicContact CB-CD2 3.88Å; E279-F293 HydrophobicContact CB-CE1 4.41Å; E279-F293 HydrophobicContact CB-CE2 3.83Å; E279-F293 HydrophobicContact CB-CG 4.19Å; E279-F293 HydrophobicContact CB-CZ 4.1Å; E279-F293 HydrophobicContact CG-CD1 4.21Å; E279-F293 HydrophobicContact CG-CD2 4.36Å; E279-F293 HydrophobicContact CG-CE1 4.44Å; E279-F293 HydrophobicContact CG-CG 4.16Å; F293-K295 PolarHBondContact O-N 2.89Å; F293-L296 WeakPolarHBondContact O-CB 3.39Å; F293-L296 PolarHBondContact O-N 3.02Å; F293-L297 HydrophobicContact CD1-CD1 4.24Å; F293-L297 HydrophobicContact CE1-CD1 3.6Å; F293-L297 HydrophobicContact CE1-CG 4.47Å; F293-L297 HydrophobicContact CE2-CD1 4.12Å; F293-L297 HydrophobicContact CE2-CD2 4.5Å; F293-L297 HydrophobicContact CE2-CG 4.3Å; F293-L297 HydrophobicContact CZ-CD1 3.54Å; F293-L297 HydrophobicContact CZ-CG 4.22Å; F293-L297 PolarHBondContact O-N 2.81Å
294	A	98.4	Very high	97.7	Very high	51 Å²	51	70.5 Å²	70.5	42%	0.421	37%	0.368	S	S	.	.	H	α-helix	trans	-61.6	-41.9	178.6	0	0	0	0	0	112.3	G291 R292 L296 L297 L298	G291-A294 PolarHBondContact O-N 3.18Å; R292-A294 PolarHBondContact O-N 3.13Å; A294-L296 VanDerWaalsContact C-N 3.32Å; A294-L296 PolarHBondContact O-N 3.48Å; A294-L297 PolarHBondContact O-N 3.38Å; A294-L298 WeakPolarHBondContact O-CB 3.33Å; A294-L298 VanDerWaalsContact O-CG 3.26Å; A294-L298 WeakPolarHBondContact O-CG 3.36Å; A294-L298 PolarHBondContact O-N 2.94Å
295	K	98.1	Very high	97.8	Very high	126 Å²	126	65.2 Å²	65.2	55%	0.548	35%	0.35	S	S	.	.	H	α-helix	trans	-61.5	-38.5	177.1	-76.8	177.4	179.7	-178.8	0	112.7	M238 G291 R292 F293 L298 R299	M238-K295 HydrophobicContact CE-CB 4.12Å; G291-K295 WeakPolarHBondContact O-CB 3.17Å; G291-K295 VanDerWaalsContact O-CG 3.32Å; G291-K295 WeakPolarHBondContact O-CG 3.38Å; G291-K295 PolarHBondContact O-N 2.99Å; R292-K295 PolarHBondContact O-N 3.36Å; R292-K295 VanDerWaalsContact O-N 3.17Å; F293-K295 PolarHBondContact O-N 2.89Å; K295-L298 PolarHBondContact O-N 3.48Å; K295-R299 PolarHBondContact O-NE 2.75Å
296	L	98.8	Very high	97.8	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64	-50	174.7	-70.7	168.2	0	0	0	110.7	M238 M240 E244 L248 L278 T282 R292 F293 A294 L298 R299	M238-L296 HydrophobicContact CE-CD2 3.33Å; M238-L296 HydrophobicContact CE-CG 3.67Å; M238-L296 HydrophobicContact SD-CD2 4.03Å; M240-L296 HydrophobicContact CE-CD2 3.61Å; M240-L296 HydrophobicContact CG-CD2 4.18Å; E244-L296 HydrophobicContact CB-CD1 4.12Å; E244-L296 HydrophobicContact CB-CD2 4.05Å; E244-L296 HydrophobicContact CG-CD1 3.85Å; E244-L296 HydrophobicContact CG-CD2 4.44Å; L248-L296 HydrophobicContact CD1-CB 4.32Å; L248-L296 HydrophobicContact CD1-CD2 4.23Å; L248-L296 HydrophobicContact CD2-CB 4.23Å; L278-L296 HydrophobicContact CD1-CD1 4.04Å; L278-L296 HydrophobicContact CD2-CD1 4.44Å; L278-L296 HydrophobicContact CG-CD1 4.47Å; T282-L296 HydrophobicContact CG2-CD1 3.64Å; R292-L296 HydrophobicContact CG-CD1 4.24Å; R292-L296 HydrophobicContact CG-CG 4.49Å; R292-L296 WeakPolarHBondContact O-CG 3.41Å; R292-L296 PolarHBondContact O-N 3.28Å; F293-L296 WeakPolarHBondContact O-CB 3.39Å; F293-L296 PolarHBondContact O-N 3.02Å; A294-L296 VanDerWaalsContact C-N 3.32Å; A294-L296 PolarHBondContact O-N 3.48Å; L296-L298 PolarHBondContact O-N 2.97Å; L296-R299 VanDerWaalsContact O-CB 3.24Å; L296-R299 WeakPolarHBondContact O-CB 3.26Å; L296-R299 WeakPolarHBondContact O-CG 3.39Å; L296-R299 PolarHBondContact O-N 3.36Å
297	L	98.7	Very high	97.8	Very high	42 Å²	42	58.2 Å²	58.2	22%	0.22	32%	0.32	C	S	.	.	H	α-helix	trans	-60.1	-35.2	177.6	-66.7	-173.9	0	0	0	112.6	L248 I251 Y275 F293 A294 R299 L300 P301	L248-L297 HydrophobicContact CD2-CD2 4.28Å; I251-L297 HydrophobicContact CD1-CD2 3.82Å; Y275-L297 HydrophobicContact CD1-CD2 4.05Å; Y275-L297 HydrophobicContact CE1-CD2 3.81Å; F293-L297 HydrophobicContact CD1-CD1 4.24Å; F293-L297 HydrophobicContact CE1-CD1 3.6Å; F293-L297 HydrophobicContact CE1-CG 4.47Å; F293-L297 HydrophobicContact CE2-CD1 4.12Å; F293-L297 HydrophobicContact CE2-CD2 4.5Å; F293-L297 HydrophobicContact CE2-CG 4.3Å; F293-L297 HydrophobicContact CZ-CD1 3.54Å; F293-L297 HydrophobicContact CZ-CG 4.22Å; F293-L297 PolarHBondContact O-N 2.81Å; A294-L297 PolarHBondContact O-N 3.38Å; L297-R299 PolarHBondContact O-N 3.36Å; L297-L300 HydrophobicContact CD2-CD1 4.11Å; L297-L300 WeakPolarHBondContact O-CB 3.39Å; L297-L300 WeakPolarHBondContact O-CG 3.47Å; L297-L300 PolarHBondContact O-N 2.9Å; L297-P301 WeakPolarHBondContact O-CD 3.07Å
298	L	98.4	Very high	97.7	Very high	106 Å²	106	58.5 Å²	58.5	56%	0.555	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-1.1	175	-72.1	172.1	0	0	0	114.1	A294 K295 L296	A294-L298 WeakPolarHBondContact O-CB 3.33Å; A294-L298 VanDerWaalsContact O-CG 3.26Å; A294-L298 WeakPolarHBondContact O-CG 3.36Å; A294-L298 PolarHBondContact O-N 2.94Å; K295-L298 PolarHBondContact O-N 3.48Å; L296-L298 PolarHBondContact O-N 2.97Å
299	R	98.4	Very high	97.5	Very high	55 Å²	55	53.9 Å²	53.9	21%	0.208	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-28	167.5	-57.3	-57.5	84.3	-147.3	-2.1	112.2	E230 M240 L248 K295 L296 L297 A302 L303	E230-R299 PolarHBondContact O-NH1 3.43Å; M240-R299 HydrophobicContact CE-CG 4.12Å; L248-R299 HydrophobicContact CD1-CB 4.48Å; K295-R299 PolarHBondContact O-NE 2.75Å; L296-R299 VanDerWaalsContact O-CB 3.24Å; L296-R299 WeakPolarHBondContact O-CB 3.26Å; L296-R299 WeakPolarHBondContact O-CG 3.39Å; L296-R299 PolarHBondContact O-N 3.36Å; L297-R299 PolarHBondContact O-N 3.36Å; R299-A302 PolarHBondContact O-N 3.23Å; R299-L303 PolarHBondContact O-N 3.28Å; R299-L303 VanDerWaalsContact O-N 3.07Å
300	L	98.5	Very high	97.3	Very high	33 Å²	33	51.1 Å²	51.1	17%	0.173	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-40.2	-176	-59.2	173.3	0	0	0	113.9	L248 I251 V252 L297 A302 L303 R304	L248-L300 HydrophobicContact CB-CD2 4.38Å; L248-L300 HydrophobicContact CD2-CD1 4.38Å; L248-L300 HydrophobicContact CD2-CD2 4.16Å; L248-L300 HydrophobicContact CD2-CG 4.22Å; I251-L300 HydrophobicContact CG2-CD1 3.69Å; V252-L300 HydrophobicContact CG2-CD2 3.76Å; L297-L300 HydrophobicContact CD2-CD1 4.11Å; L297-L300 WeakPolarHBondContact O-CB 3.39Å; L297-L300 WeakPolarHBondContact O-CG 3.47Å; L297-L300 PolarHBondContact O-N 2.9Å; L300-A302 PolarHBondContact O-N 3Å; L300-L303 HydrophobicContact CD2-CD2 4.47Å; L300-L303 WeakPolarHBondContact O-CB 3.38Å; L300-L303 PolarHBondContact O-N 2.96Å; L300-R304 WeakPolarHBondContact O-CB 3.15Å; L300-R304 PolarHBondContact O-N 3.38Å
301	P	98.4	Very high	97.1	Very high	82 Å²	82	46.8 Å²	46.8	53%	0.532	25%	0.253	S	S	.	.	H	α-helix	trans	-62.8	-41.7	178.2	-25	35.5	0	0	0	113.5	L297 R304 S305	L297-P301 WeakPolarHBondContact O-CD 3.07Å; P301-R304 PolarHBondContact O-N 3.49Å; P301-S305 WeakPolarHBondContact O-CB 3.46Å; P301-S305 PolarHBondContact O-N 2.94Å
302	A	97.9	Very high	96.7	Very high	15 Å²	15	50.3 Å²	50.3	12%	0.124	26%	0.26	C	S	.	.	H	α-helix	trans	-65.8	-43.1	175.9	0	0	0	0	0	110.7	E230 L231 R299 L300 R304 S305 I306	E230-A302 HydrophobicContact CB-CB 4.19Å; L231-A302 HydrophobicContact CD2-CB 4.41Å; R299-A302 PolarHBondContact O-N 3.23Å; L300-A302 PolarHBondContact O-N 3Å; A302-R304 PolarHBondContact O-N 3.16Å; A302-S305 PolarHBondContact O-N 2.58Å; A302-I306 WeakPolarHBondContact O-CB 3.36Å; A302-I306 WeakPolarHBondContact O-CG1 3.43Å; A302-I306 PolarHBondContact O-N 2.93Å
303	L	98.6	Very high	96.2	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-57.8	-47.5	175.5	-178.9	62.7	0	0	0	111.9	E185 I188 A189 L231 V252 R299 L300 I306 G307	E185-L303 HydrophobicContact CB-CD2 4.26Å; E185-L303 HydrophobicContact CB-CG 4.15Å; E185-L303 HydrophobicContact CG-CG 4.21Å; I188-L303 HydrophobicContact CB-CD1 4.01Å; I188-L303 HydrophobicContact CG2-CD1 3.62Å; A189-L303 HydrophobicContact CB-CD1 4.31Å; A189-L303 HydrophobicContact CB-CD2 4Å; L231-L303 HydrophobicContact CD1-CD1 3.97Å; L231-L303 HydrophobicContact CD2-CB 4.23Å; V252-L303 HydrophobicContact CG2-CD2 4.07Å; R299-L303 PolarHBondContact O-N 3.28Å; R299-L303 VanDerWaalsContact O-N 3.07Å; L300-L303 HydrophobicContact CD2-CD2 4.47Å; L300-L303 WeakPolarHBondContact O-CB 3.38Å; L300-L303 PolarHBondContact O-N 2.96Å; L303-I306 PolarHBondContact O-N 3.38Å; L303-G307 PolarHBondContact O-N 2.77Å
304	R	97.8	Very high	95.6	Very high	98 Å²	98	51.4 Å²	51.4	37%	0.37	27%	0.267	S	S	.	.	H	α-helix	trans	-59.1	-48.1	175.4	174.4	57.6	54.7	101	-3.9	111.8	E185 L300 P301 A302 I306 G307 L308	E185-R304 VanDerWaalsContact CD-NE 3.27Å; E185-R304 VanDerWaalsContact OE1-CD 3.25Å; E185-R304 WeakPolarHBondContact OE1-CD 3.5Å; E185-R304 IonicContact OE1-CZ 2.69Å; E185-R304 IonicContact OE1-NE 3.52Å; E185-R304 PolarHBondContact OE1-NE 3.01Å; E185-R304 IonicContact OE1-NH2 3.62Å; E185-R304 PolarHBondContact OE1-NH2 3.18Å; E185-R304 IonicContact OE2-CZ 3.83Å; E185-R304 IonicContact OE2-NE 3.74Å; E185-R304 PolarHBondContact OE2-NE 3.31Å; E185-R304 VanDerWaalsContact OE2-NE 3.14Å; E185-R304 IonicContact OE2-NH2 3.44Å; E185-R304 PolarHBondContact OE2-NH2 3Å; E185-R304 VanDerWaalsContact OE2-NH2 3.1Å; L300-R304 WeakPolarHBondContact O-CB 3.15Å; L300-R304 PolarHBondContact O-N 3.38Å; P301-R304 PolarHBondContact O-N 3.49Å; A302-R304 PolarHBondContact O-N 3.16Å; R304-I306 VanDerWaalsContact C-N 3.34Å; R304-I306 PolarHBondContact O-N 2.92Å; R304-G307 PolarHBondContact O-N 3.11Å; R304-L308 HydrophobicContact CG-CD1 4.18Å; R304-L308 WeakPolarHBondContact O-CG 3.27Å; R304-L308 PolarHBondContact O-N 3.2Å
305	S	98.1	Very high	94.9	Very high	54 Å²	54	53.6 Å²	53.6	38%	0.378	27%	0.267	S	S	.	.	H	α-helix	trans	-61	-42.6	180	179.8	0	0	0	0	112.2	R226 P301 A302 K309	R226-S305 PolarHBondContact NH2-OG 3.13Å; P301-S305 WeakPolarHBondContact O-CB 3.46Å; P301-S305 PolarHBondContact O-N 2.94Å; A302-S305 PolarHBondContact O-N 2.58Å; S305-K309 PolarHBondContact O-N 3.5Å
306	I	98.1	Very high	94.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68.4	-46.4	176	-71	168.2	0	0	0	110.3	I188 I223 R226 V227 E230 L231 A302 L303 R304 L308 K309 C310	I188-I306 HydrophobicContact CD1-CG2 4.4Å; I188-I306 HydrophobicContact CG2-CG2 4.31Å; I223-I306 HydrophobicContact CD1-CB 4.37Å; I223-I306 HydrophobicContact CD1-CG1 4.36Å; I223-I306 HydrophobicContact CD1-CG2 3.94Å; R226-I306 HydrophobicContact CB-CD1 4.18Å; R226-I306 HydrophobicContact CB-CG1 4.23Å; V227-I306 HydrophobicContact CG2-CG2 3.6Å; E230-I306 HydrophobicContact CB-CD1 4.14Å; L231-I306 HydrophobicContact CD1-CD1 3.86Å; L231-I306 HydrophobicContact CD2-CD1 4.35Å; L231-I306 HydrophobicContact CG-CD1 3.82Å; A302-I306 WeakPolarHBondContact O-CB 3.36Å; A302-I306 WeakPolarHBondContact O-CG1 3.43Å; A302-I306 PolarHBondContact O-N 2.93Å; L303-I306 PolarHBondContact O-N 3.38Å; R304-I306 VanDerWaalsContact C-N 3.34Å; R304-I306 PolarHBondContact O-N 2.92Å; I306-L308 PolarHBondContact O-N 2.92Å; I306-K309 PolarHBondContact O-N 3.45Å; I306-K309 VanDerWaalsContact O-N 3.07Å; I306-C310 PolarHBondContact O-N 2.79Å; I306-C310 PolarHBondContact O-SG 2.88Å; I306-C310 VanDerWaalsContact O-SG 3.34Å
307	G	97	Very high	93.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.4	-45.6	-179.3	0	0	0	0	0	112.8	N184 L303 R304 C310 L311	N184-G307 VanDerWaalsContact ND2-C 3.28Å; N184-G307 PolarHBondContact ND2-O 3.46Å; L303-G307 PolarHBondContact O-N 2.77Å; R304-G307 PolarHBondContact O-N 3.11Å; G307-C310 PolarHBondContact O-N 3.23Å; G307-L311 PolarHBondContact O-N 3.41Å; G307-L311 VanDerWaalsContact O-N 3.11Å
308	L	94.1	Very high	92.3	Very high	93 Å²	93	56 Å²	56	49%	0.487	28%	0.276	S	S	.	.	H	α-helix	trans	-62	-42.9	174.1	-69.6	173.2	0	0	0	111.7	R304 I306 C310 L311 E312	R304-L308 HydrophobicContact CG-CD1 4.18Å; R304-L308 WeakPolarHBondContact O-CG 3.27Å; R304-L308 PolarHBondContact O-N 3.2Å; I306-L308 PolarHBondContact O-N 2.92Å; L308-C310 VanDerWaalsContact C-N 3.35Å; L308-C310 PolarHBondContact O-N 2.81Å; L308-L311 PolarHBondContact O-N 3.48Å; L308-E312 PolarHBondContact O-N 3.12Å; L308-E312 VanDerWaalsContact O-N 3.14Å
309	K	93.8	Very high	91.1	Very high	76 Å²	76	58.1 Å²	58.1	33%	0.33	29%	0.287	S	S	.	.	H	α-helix	trans	-65.9	-37.8	178.9	-171.5	59.4	-176.6	174.7	0	112.3	I223 S305 I306 L311 E312 H313	I223-K309 HydrophobicContact CD1-CB 3.84Å; I223-K309 HydrophobicContact CD1-CG 3.81Å; I223-K309 HydrophobicContact CG1-CG 4.33Å; S305-K309 PolarHBondContact O-N 3.5Å; I306-K309 PolarHBondContact O-N 3.45Å; I306-K309 VanDerWaalsContact O-N 3.07Å; K309-L311 VanDerWaalsContact C-N 3.34Å; K309-E312 VanDerWaalsContact CD-OE2 3.26Å; K309-E312 WeakPolarHBondContact CD-OE2 3.31Å; K309-E312 IonicContact NZ-OE2 3.04Å; K309-E312 PolarHBondContact NZ-OE2 2.93Å; K309-E312 WeakPolarHBondContact O-CB 3.44Å; K309-E312 PolarHBondContact O-N 2.92Å; K309-H313 PolarHBondContact O-CD2 2.77Å; K309-H313 PolarHBondContact O-N 2.84Å
310	C	93.3	Very high	90	Very high	29 Å²	29	59.3 Å²	59.3	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-40.4	173.9	-70	0	0	0	0	111.9	I188 I306 G307 L308 E312 H313 L314	I188-C310 HydrophobicContact CD1-CB 4.11Å; I306-C310 PolarHBondContact O-N 2.79Å; I306-C310 PolarHBondContact O-SG 2.88Å; I306-C310 VanDerWaalsContact O-SG 3.34Å; G307-C310 PolarHBondContact O-N 3.23Å; L308-C310 VanDerWaalsContact C-N 3.35Å; L308-C310 PolarHBondContact O-N 2.81Å; C310-E312 PolarHBondContact O-N 2.82Å; C310-H313 PolarHBondContact O-N 3.25Å; C310-L314 WeakPolarHBondContact O-CG 3.37Å; C310-L314 PolarHBondContact O-N 3.03Å
311	L	89.7	Confident	88.3	Confident	35 Å²	35	60.6 Å²	60.6	18%	0.183	32%	0.318	C	S	.	.	H	α-helix	trans	-62	-41.8	174.9	-71.7	173.3	0	0	0	111.8	W183 N184 G307 L308 K309 H313 L314 F315 L333	W183-L311 HydrophobicContact CH2-CD2 4.45Å; W183-L311 HydrophobicContact CZ2-CD2 3.7Å; N184-L311 HydrophobicContact CB-CD2 4.24Å; N184-L311 HydrophobicContact CB-CG 4.43Å; N184-L311 WeakPolarHBondContact ND2-CD1 3.42Å; N184-L311 WeakPolarHBondContact ND2-CG 3.29Å; G307-L311 PolarHBondContact O-N 3.41Å; G307-L311 VanDerWaalsContact O-N 3.11Å; L308-L311 PolarHBondContact O-N 3.48Å; K309-L311 VanDerWaalsContact C-N 3.34Å; L311-H313 VanDerWaalsContact C-N 3.3Å; L311-H313 PolarHBondContact O-N 3.09Å; L311-L314 PolarHBondContact O-N 3.2Å; L311-F315 HydrophobicContact CB-CD2 4.49Å; L311-F315 HydrophobicContact CB-CE2 4.42Å; L311-F315 WeakPolarHBondContact O-CD2 3.39Å; L311-F315 PolarHBondContact O-N 3.37Å; L311-L333 HydrophobicContact CD2-CD2 4.01Å
312	E	88.5	Confident	86.7	Confident	109 Å²	109	63.1 Å²	63.1	51%	0.509	33%	0.327	S	S	.	.	H	α-helix	trans	-56.5	-44.2	174.7	-68.5	176.2	-168.3	0	0	112	L308 K309 C310 F315 F316	L308-E312 PolarHBondContact O-N 3.12Å; L308-E312 VanDerWaalsContact O-N 3.14Å; K309-E312 VanDerWaalsContact CD-OE2 3.26Å; K309-E312 WeakPolarHBondContact CD-OE2 3.31Å; K309-E312 IonicContact NZ-OE2 3.04Å; K309-E312 PolarHBondContact NZ-OE2 2.93Å; K309-E312 WeakPolarHBondContact O-CB 3.44Å; K309-E312 PolarHBondContact O-N 2.92Å; C310-E312 PolarHBondContact O-N 2.82Å; E312-F315 PolarHBondContact O-N 3.42Å; E312-F316 PolarHBondContact O-N 2.78Å
313	H	86.8	Confident	84.9	Confident	41 Å²	41	63.2 Å²	63.2	19%	0.19	33%	0.326	C	S	.	.	H	α-helix	trans	-64	-44.4	176.1	-78.2	-75.9	0	0	0	112	K309 C310 L311 F315 F316 F317	K309-H313 PolarHBondContact O-CD2 2.77Å; K309-H313 PolarHBondContact O-N 2.84Å; C310-H313 PolarHBondContact O-N 3.25Å; L311-H313 VanDerWaalsContact C-N 3.3Å; L311-H313 PolarHBondContact O-N 3.09Å; H313-F315 PolarHBondContact O-N 2.6Å; H313-F316 WeakPolarHBondContact O-CB 3.4Å; H313-F316 PolarHBondContact O-N 3.17Å; H313-F317 HydrophobicContact CB-CD2 4.49Å; H313-F317 HydrophobicContact CB-CE2 4.11Å; H313-F317 WeakPolarHBondContact O-CD2 3.21Å; H313-F317 WeakPolarHBondContact O-CG 3.39Å; H313-F317 PolarHBondContact O-N 2.89Å
314	L	85.5	Confident	83.2	Confident	27 Å²	27	67 Å²	67	14%	0.141	35%	0.351	C	S	.	.	H	α-helix	trans	-62.5	-40.6	177.7	-71.2	173.7	0	0	0	112.3	W183 C310 L311 F316 F317 K318 L333	W183-L314 HydrophobicContact CH2-CD1 3.73Å; W183-L314 HydrophobicContact CZ2-CD1 4.36Å; C310-L314 WeakPolarHBondContact O-CG 3.37Å; C310-L314 PolarHBondContact O-N 3.03Å; L311-L314 PolarHBondContact O-N 3.2Å; L314-F316 VanDerWaalsContact C-N 3.34Å; L314-F316 PolarHBondContact O-N 3.28Å; L314-F317 PolarHBondContact O-N 3.11Å; L314-K318 WeakPolarHBondContact O-CB 3.48Å; L314-K318 PolarHBondContact O-N 2.97Å; L314-L333 HydrophobicContact CB-CD1 4.34Å; L314-L333 HydrophobicContact CB-CD2 4.13Å; L314-L333 HydrophobicContact CD1-CD2 4.42Å
315	F	83.3	Confident	81.7	Confident	97 Å²	97	63.6 Å²	63.6	43%	0.425	34%	0.34	S	S	.	.	H	α-helix	trans	-62.8	-40.5	173.8	-81.3	-62.7	0	0	0	112.2	L311 E312 H313 K318 L319 L333	L311-F315 HydrophobicContact CB-CD2 4.49Å; L311-F315 HydrophobicContact CB-CE2 4.42Å; L311-F315 WeakPolarHBondContact O-CD2 3.39Å; L311-F315 PolarHBondContact O-N 3.37Å; E312-F315 PolarHBondContact O-N 3.42Å; H313-F315 PolarHBondContact O-N 2.6Å; F315-K318 PolarHBondContact O-N 3.37Å; F315-L319 WeakPolarHBondContact O-CB 3.29Å; F315-L319 PolarHBondContact O-N 3.46Å; F315-L333 HydrophobicContact CE1-CB 4.34Å; F315-L333 WeakPolarHBondContact CE1-O 3.37Å; F315-L333 HydrophobicContact CZ-CD2 4.36Å
316	F	82.9	Confident	80.2	Confident	121 Å²	121	64.5 Å²	64.5	53%	0.531	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-46.9	176.3	-179.3	-101.1	0	0	0	111.7	E312 H313 L314 K318 L319 I320	E312-F316 PolarHBondContact O-N 2.78Å; H313-F316 WeakPolarHBondContact O-CB 3.4Å; H313-F316 PolarHBondContact O-N 3.17Å; L314-F316 VanDerWaalsContact C-N 3.34Å; L314-F316 PolarHBondContact O-N 3.28Å; F316-K318 PolarHBondContact O-N 2.88Å; F316-L319 PolarHBondContact O-N 3.04Å; F316-I320 HydrophobicContact CD1-CD1 3.73Å; F316-I320 HydrophobicContact CD2-CD1 4.01Å; F316-I320 HydrophobicContact CE1-CD1 3.24Å; F316-I320 HydrophobicContact CE2-CD1 3.56Å; F316-I320 HydrophobicContact CG-CD1 4.11Å; F316-I320 HydrophobicContact CZ-CD1 3.16Å; F316-I320 HydrophobicContact CZ-CG1 4.48Å; F316-I320 WeakPolarHBondContact O-CG1 2.99Å; F316-I320 PolarHBondContact O-N 2.87Å; F316-I320 VanDerWaalsContact O-N 3.14Å
317	F	80.9	Confident	78.6	Confident	38 Å²	38	70.5 Å²	70.5	17%	0.167	38%	0.377	C	S	.	.	H	α-helix	trans	-63.5	-40	176.4	-65.1	-50	0	0	0	112.3	V143 V220 H313 L314 L319 I320 G321	V143-F317 HydrophobicContact CG1-CD2 4.03Å; V143-F317 HydrophobicContact CG1-CE2 3.75Å; V143-F317 HydrophobicContact CG1-CZ 4.19Å; V143-F317 HydrophobicContact CG2-CZ 4.41Å; V220-F317 HydrophobicContact CG1-CE2 4.21Å; V220-F317 HydrophobicContact CG1-CZ 3.89Å; H313-F317 HydrophobicContact CB-CD2 4.49Å; H313-F317 HydrophobicContact CB-CE2 4.11Å; H313-F317 WeakPolarHBondContact O-CD2 3.21Å; H313-F317 WeakPolarHBondContact O-CG 3.39Å; H313-F317 PolarHBondContact O-N 2.89Å; L314-F317 PolarHBondContact O-N 3.11Å; F317-L319 VanDerWaalsContact C-N 3.33Å; F317-L319 PolarHBondContact O-N 3.41Å; F317-I320 PolarHBondContact O-N 2.7Å; F317-G321 PolarHBondContact O-N 3.49Å
318	K	77.4	Confident	77	Confident	58 Å²	58	72.8 Å²	72.8	25%	0.252	39%	0.387	S	S	.	.	H	α-helix	trans	-58.5	-42.8	173.2	179	173.4	-179.8	161.8	0	112	L314 F315 F316 I325 M330 L333 E334	L314-K318 WeakPolarHBondContact O-CB 3.48Å; L314-K318 PolarHBondContact O-N 2.97Å; F315-K318 PolarHBondContact O-N 3.37Å; F316-K318 PolarHBondContact O-N 2.88Å; K318-I325 HydrophobicContact CB-CD1 3.95Å; K318-M330 HydrophobicContact CD-CE 3.99Å; K318-M330 HydrophobicContact CD-SD 3.55Å; K318-M330 VanDerWaalsContact CD-SD 3.55Å; K318-M330 VanDerWaalsContact CE-CE 3.48Å; K318-M330 VanDerWaalsContact CE-SD 3.59Å; K318-M330 HydrophobicContact CG-CE 3.98Å; K318-M330 HydrophobicContact CG-SD 3.82Å; K318-L333 HydrophobicContact CD-CD1 4.43Å; K318-E334 VanDerWaalsContact NZ-CG 3.25Å; K318-E334 IonicContact NZ-OE1 2.81Å; K318-E334 PolarHBondContact NZ-OE1 3.42Å
319	L	74.9	Confident	75.9	Confident	152 Å²	152	68.4 Å²	68.4	80%	0.796	37%	0.365	S	S	*	.	H	α-helix	trans	-70.8	-34.1	-176.3	-173.4	65.2	0	0	0	112.7	F315 F316 F317	F315-L319 WeakPolarHBondContact O-CB 3.29Å; F315-L319 PolarHBondContact O-N 3.46Å; F316-L319 PolarHBondContact O-N 3.04Å; F317-L319 VanDerWaalsContact C-N 3.33Å; F317-L319 PolarHBondContact O-N 3.41Å
320	I	74.7	Confident	74.7	Confident	80 Å²	80	67.3 Å²	67.3	41%	0.41	36%	0.361	S	S	.	.	H	α-helix	trans	-82.4	-33.7	-178	-63.7	175.3	0	0	0	111.4	F316 F317 D322	F316-I320 HydrophobicContact CD1-CD1 3.73Å; F316-I320 HydrophobicContact CD2-CD1 4.01Å; F316-I320 HydrophobicContact CE1-CD1 3.24Å; F316-I320 HydrophobicContact CE2-CD1 3.56Å; F316-I320 HydrophobicContact CG-CD1 4.11Å; F316-I320 HydrophobicContact CZ-CD1 3.16Å; F316-I320 HydrophobicContact CZ-CG1 4.48Å; F316-I320 WeakPolarHBondContact O-CG1 2.99Å; F316-I320 PolarHBondContact O-N 2.87Å; F316-I320 VanDerWaalsContact O-N 3.14Å; F317-I320 PolarHBondContact O-N 2.7Å; I320-D322 HydrophobicContact CG2-CB 4.24Å; I320-D322 VanDerWaalsContact CG2-CG 3.49Å; I320-D322 WeakPolarHBondContact CG2-OD2 3.49Å
321	G	62.5	Low	73.8	Confident	59 Å²	59	70.3 Å²	70.3	61%	0.608	37%	0.372	S	S	*	.			trans	82.7	8.6	176.6	0	0	0	0	0	115	F317	F317-G321 PolarHBondContact O-N 3.49Å
322	D	64.1	Low	73.1	Confident	136 Å²	136	69.9 Å²	69.9	73%	0.727	37%	0.37	S	S	*	.			trans	-77.9	-20.9	-177.4	-72.5	-19.3	0	0	0	113.6	I320	I320-D322 HydrophobicContact CG2-CB 4.24Å; I320-D322 VanDerWaalsContact CG2-CG 3.49Å; I320-D322 WeakPolarHBondContact CG2-OD2 3.49Å
323	T	61.5	Low	72.1	Confident	17 Å²	17	65.1 Å²	65.1	10%	0.104	35%	0.347	C	S	.	.	S	Bend	trans	-113.9	124.2	-179.3	-37.9	0	0	0	0	109.6	V143 T144 I325	V143-T323 HydrophobicContact CG1-CG2 4.25Å; T144-T323 WeakPolarHBondContact OG1-CG2 3.28Å; T323-I325 PolarHBondContact O-N 3.12Å; T323-I325 VanDerWaalsContact O-N 3.11Å
324	P	61.8	Low	71.2	Confident	88 Å²	88	68 Å²	68	57%	0.571	36%	0.361	S	S	*	.			trans	-65.3	115.1	174.6	26.5	-31.4	0	0	0	109	T144	T144-P324 HydrophobicContact CG2-CG 4.23Å
325	I	65.9	Low	69.8	Low	25 Å²	25	72.7 Å²	72.7	13%	0.128	39%	0.391	C	S	.	.			trans	-105.6	119.8	173.3	-57.4	179.3	0	0	0	106.7	K318 T323 L329 M330 L333	K318-I325 HydrophobicContact CB-CD1 3.95Å; T323-I325 PolarHBondContact O-N 3.12Å; T323-I325 VanDerWaalsContact O-N 3.11Å; I325-L329 HydrophobicContact CG2-CB 3.89Å; I325-L329 HydrophobicContact CG2-CD2 3.7Å; I325-L329 HydrophobicContact CG2-CG 3.71Å; I325-M330 HydrophobicContact CB-CG 4.02Å; I325-M330 HydrophobicContact CB-SD 3.92Å; I325-M330 HydrophobicContact CD1-SD 4.42Å; I325-M330 HydrophobicContact CG2-CG 3.65Å; I325-M330 HydrophobicContact CG2-SD 3.79Å; I325-L333 HydrophobicContact CG2-CD1 4.48Å
326	D	66.9	Low	68.2	Low	73 Å²	73	72.5 Å²	72.5	39%	0.39	40%	0.4	S	S	.	.			trans	-61.2	156.6	179.5	-71.4	-45.9	0	0	0	112.3	D151 F328 L329 M330	D151-D326 HydrophobicContact CB-CB 4.18Å; D151-D326 WeakPolarHBondContact OD1-CB 3.28Å; D326-F328 VanDerWaalsContact C-N 3.3Å; D326-F328 PolarHBondContact O-N 3.18Å; D326-L329 PolarHBondContact O-N 3.45Å; D326-M330 VanDerWaalsContact O-CG 3.32Å; D326-M330 WeakPolarHBondContact O-CG 3.34Å; D326-M330 PolarHBondContact O-N 2.8Å
327	T	65.1	Low	65.9	Low	126 Å²	126	74.5 Å²	74.5	77%	0.773	42%	0.415	S	S	*	.	H	α-helix	trans	-61.6	-33.4	-169.5	51.3	0	0	0	0	113.6	M330 E331	T327-M330 WeakPolarHBondContact O-CB 3.21Å; T327-M330 PolarHBondContact O-N 3.23Å; T327-E331 PolarHBondContact O-N 3.12Å
328	F	63.1	Low	63.7	Low	48 Å²	48	81.1 Å²	81.1	21%	0.211	45%	0.446	C	S	.	.	H	α-helix	trans	-75.8	-43.5	-179	-163.9	-120.8	0	0	0	111.7	D151 L154 F155 D326 M330 E331 M332	D151-F328 WeakPolarHBondContact OD1-CB 3.38Å; L154-F328 HydrophobicContact CB-CD1 3.64Å; L154-F328 HydrophobicContact CB-CE1 3.62Å; L154-F328 HydrophobicContact CD1-CD1 3.73Å; L154-F328 HydrophobicContact CD1-CE1 4.24Å; L154-F328 HydrophobicContact CG-CD1 4.32Å; L154-F328 HydrophobicContact CG-CE1 4.49Å; F155-F328 HydrophobicContact CE2-CD1 4.11Å; F155-F328 HydrophobicContact CE2-CG 4.45Å; F155-F328 HydrophobicContact CZ-CB 4.37Å; F155-F328 HydrophobicContact CZ-CD1 4.09Å; F155-F328 HydrophobicContact CZ-CG 4.13Å; D326-F328 VanDerWaalsContact C-N 3.3Å; D326-F328 PolarHBondContact O-N 3.18Å; F328-M330 PolarHBondContact O-N 3.22Å; F328-E331 WeakPolarHBondContact O-CB 3.31Å; F328-E331 PolarHBondContact O-N 3.12Å; F328-E331 VanDerWaalsContact O-N 3.09Å; F328-M332 WeakPolarHBondContact O-CG 3.3Å; F328-M332 PolarHBondContact O-N 3.1Å; F328-M332 VanDerWaalsContact O-N 3.1Å
329	L	70.6	Confident	61.3	Low	2 Å²	2	86.3 Å²	86.3	1%	0.01	48%	0.475	C	S	.	.	H	α-helix	trans	-58.7	-36.6	170.3	-174.3	59.5	0	0	0	111.8	C147 D151 L154 W183 I325 D326 M332 L333	C147-L329 HydrophobicContact CB-CD2 4.13Å; D151-L329 PolarHBondContact OD1-N 3.43Å; L154-L329 HydrophobicContact CD1-CB 4.29Å; L154-L329 HydrophobicContact CD1-CD1 4.05Å; W183-L329 HydrophobicContact CE3-CD1 4.49Å; W183-L329 HydrophobicContact CH2-CD1 3.36Å; W183-L329 HydrophobicContact CZ2-CD1 4.07Å; W183-L329 HydrophobicContact CZ3-CD1 3.61Å; I325-L329 HydrophobicContact CG2-CB 3.89Å; I325-L329 HydrophobicContact CG2-CD2 3.7Å; I325-L329 HydrophobicContact CG2-CG 3.71Å; D326-L329 PolarHBondContact O-N 3.45Å; L329-M332 PolarHBondContact O-N 3.22Å; L329-L333 WeakPolarHBondContact O-CG 3.4Å; L329-L333 PolarHBondContact O-N 3.47Å
330	M	69	Low	59.3	Low	53 Å²	53	88.3 Å²	88.3	26%	0.261	49%	0.494	S	S	.	.	H	α-helix	trans	-63.7	-42.1	172.6	-72	-73.1	-97.2	0	0	112.7	K318 I325 D326 T327 F328 M332 L333 E334	K318-M330 HydrophobicContact CD-CE 3.99Å; K318-M330 HydrophobicContact CD-SD 3.55Å; K318-M330 VanDerWaalsContact CD-SD 3.55Å; K318-M330 VanDerWaalsContact CE-CE 3.48Å; K318-M330 VanDerWaalsContact CE-SD 3.59Å; K318-M330 HydrophobicContact CG-CE 3.98Å; K318-M330 HydrophobicContact CG-SD 3.82Å; I325-M330 HydrophobicContact CB-CG 4.02Å; I325-M330 HydrophobicContact CB-SD 3.92Å; I325-M330 HydrophobicContact CD1-SD 4.42Å; I325-M330 HydrophobicContact CG2-CG 3.65Å; I325-M330 HydrophobicContact CG2-SD 3.79Å; D326-M330 VanDerWaalsContact O-CG 3.32Å; D326-M330 WeakPolarHBondContact O-CG 3.34Å; D326-M330 PolarHBondContact O-N 2.8Å; T327-M330 WeakPolarHBondContact O-CB 3.21Å; T327-M330 PolarHBondContact O-N 3.23Å; F328-M330 PolarHBondContact O-N 3.22Å; M330-M332 VanDerWaalsContact C-N 3.26Å; M330-M332 PolarHBondContact O-N 3.4Å; M330-L333 PolarHBondContact O-N 3.26Å; M330-L333 VanDerWaalsContact O-N 3.12Å; M330-E334 WeakPolarHBondContact O-CG 3.27Å; M330-E334 PolarHBondContact O-N 2.83Å
331	E	74.8	Confident	58.5	Low	92 Å²	92	88.7 Å²	88.7	43%	0.43	50%	0.498	S	S	.	.	H	α-helix	trans	-60.5	-37.3	177.2	-155.6	-157.7	134.3	0	0	111.7	R180 T327 F328 L333 E334	R180-E331 IonicContact CZ-OE1 3.41Å; R180-E331 PolarHBondContact NH1-O 2.89Å; R180-E331 PolarHBondContact NH2-O 2.89Å; R180-E331 IonicContact NH2-OE1 3.1Å; R180-E331 PolarHBondContact NH2-OE1 3.24Å; T327-E331 PolarHBondContact O-N 3.12Å; F328-E331 WeakPolarHBondContact O-CB 3.31Å; F328-E331 PolarHBondContact O-N 3.12Å; F328-E331 VanDerWaalsContact O-N 3.09Å; E331-L333 VanDerWaalsContact C-N 3.34Å; E331-E334 PolarHBondContact O-N 2.94Å
332	M	75.3	Confident	58.3	Low	26 Å²	26	90.3 Å²	90.3	13%	0.128	49%	0.492	C	S	.	.	H	α-helix	trans	-72.1	-26.1	177.3	-63.2	-60.5	-74	0	0	113.2	L154 R180 W183 F328 L329 M330	L154-M332 HydrophobicContact CD1-CG 4.04Å; L154-M332 HydrophobicContact CD2-CG 4.43Å; R180-M332 HydrophobicContact CB-CE 4.37Å; R180-M332 HydrophobicContact CG-CE 3.92Å; R180-M332 HydrophobicContact CG-SD 3.94Å; W183-M332 HydrophobicContact CB-CE 3.7Å; W183-M332 VanDerWaalsContact CD1-CE 3.4Å; W183-M332 HydrophobicContact CD2-CE 4.47Å; W183-M332 HydrophobicContact CG-CE 3.57Å; F328-M332 WeakPolarHBondContact O-CG 3.3Å; F328-M332 PolarHBondContact O-N 3.1Å; F328-M332 VanDerWaalsContact O-N 3.1Å; L329-M332 PolarHBondContact O-N 3.22Å; M330-M332 VanDerWaalsContact C-N 3.26Å; M330-M332 PolarHBondContact O-N 3.4Å
333	L	66.5	Low	57.9	Low	8 Å²	8	87.7 Å²	87.7	4%	0.042	48%	0.479	C	S	.	.	H	α-helix	trans	-83.5	-20.7	175.4	-68.7	170.4	0	0	0	112.7	W183 L311 L314 F315 K318 I325 L329 M330 E331	W183-L333 HydrophobicContact CZ2-CD2 4.2Å; L311-L333 HydrophobicContact CD2-CD2 4.01Å; L314-L333 HydrophobicContact CB-CD1 4.34Å; L314-L333 HydrophobicContact CB-CD2 4.13Å; L314-L333 HydrophobicContact CD1-CD2 4.42Å; F315-L333 HydrophobicContact CE1-CB 4.34Å; F315-L333 WeakPolarHBondContact CE1-O 3.37Å; F315-L333 HydrophobicContact CZ-CD2 4.36Å; K318-L333 HydrophobicContact CD-CD1 4.43Å; I325-L333 HydrophobicContact CG2-CD1 4.48Å; L329-L333 WeakPolarHBondContact O-CG 3.4Å; L329-L333 PolarHBondContact O-N 3.47Å; M330-L333 PolarHBondContact O-N 3.26Å; M330-L333 VanDerWaalsContact O-N 3.12Å; E331-L333 VanDerWaalsContact C-N 3.34Å
334	E	69.3	Low	57.7	Low	103 Å²	103	91.9 Å²	91.9	48%	0.481	50%	0.501	S	S	.	.	S	Bend	trans	-78.9	123.1	179	-75.2	173.2	-168.8	0	0	110.8	R180 K318 M330 E331	R180-E334 PolarHBondContact NH1-O 3.17Å; R180-E334 VanDerWaalsContact NH1-O 3.17Å; K318-E334 VanDerWaalsContact NZ-CG 3.25Å; K318-E334 IonicContact NZ-OE1 2.81Å; K318-E334 PolarHBondContact NZ-OE1 3.42Å; M330-E334 WeakPolarHBondContact O-CG 3.27Å; M330-E334 PolarHBondContact O-N 2.83Å; E331-E334 PolarHBondContact O-N 2.94Å
335	T	55.8	Low	57.5	Low	124 Å²	124	92.1 Å²	92.1	76%	0.761	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-67.8	125.9	169.5	-27.5	0	0	0	0	106.8	L337	T335-L337 PolarHBondContact O-N 3.32Å
336	P	48.7	Very low	56.9	Low	94 Å²	94	96.6 Å²	96.6	61%	0.61	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-54.9	124.1	176.1	19.4	-29	0	0	0	108.1	Q338	P336-Q338 PolarHBondContact O-N 3.08Å
337	L	35.6	Very low	56.2	Low	162 Å²	162	98.3 Å²	98.3	85%	0.848	53%	0.531	S	S	*	.			trans	-51.4	110	172.2	-79.6	157.2	0	0	0	106.7	T335 I339	T335-L337 PolarHBondContact O-N 3.32Å; L337-I339 VanDerWaalsContact C-N 3.26Å; L337-I339 PolarHBondContact O-N 2.71Å
338	Q	33.3	Very low	55.5	Low	177 Å²	177	96.2 Å²	96.2	83%	0.827	51%	0.512	S	S	*	.			trans	-61.8	101	162.5	-79.9	-178.4	-25.1	0	0	105.4	P336 T340	P336-Q338 PolarHBondContact O-N 3.08Å; Q338-T340 PolarHBondContact O-N 2.72Å
339	I	28.1	Very low	54.9	Low	167 Å²	167	100.2 Å²	100.2	86%	0.856	54%	0.537	S	S	*	.			trans	-64.3	96.8	164.9	-57	175.4	0	0	0	104.5	L337	L337-I339 VanDerWaalsContact C-N 3.26Å; L337-I339 PolarHBondContact O-N 2.71Å
340	T	31.9	Very low	53.5	Low	194 Å²	194	109.1 Å²	109.1	100%	1.19	59%	0.585	S	S	*	*			trans	-62.8	0	174.5	42.8	0	0	0	0	112.3	Q338	Q338-T340 PolarHBondContact O-N 2.72Å

Retrieved 340 of 340 residues in 867.1 ms (Link to these results)

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