A0A096MIL8_POEFO Loading...

MCF.2 cell line derived transforming sequence-like 2

AlphaFold DB , UniProt , Accession A0A096MIL8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 664 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	A	27.4	Very low	55.3	Low	152 Å²	152	105.6 Å²	105.6	100%	1.256	64%	0.644	S	S	*	*				0	107.8	0	0	0	0	0	0	108.2
2	A	29.5	Very low	57.6	Low	98 Å²	98	100.1 Å²	100.1	81%	0.81	61%	0.61	S	S	*	*			trans	-84.6	129.9	174.7	0	0	0	0	0	108.9
3	F	38.7	Very low	59.4	Low	163 Å²	163	96.8 Å²	96.8	72%	0.715	59%	0.586	S	S	*	*			trans	-64.8	136.1	172.1	-76.5	-87.1	0	0	0	109.4	G5 L7	F3-G5 PolarHBondContact O-N 3.03Å; F3-L7 HydrophobicContact CB-CD1 4.48Å
4	P	41.6	Very low	60.7	Low	109 Å²	109	93.4 Å²	93.4	71%	0.708	56%	0.558	S	S	*	*	S	Bend	trans	-78.2	106.9	179.3	29.8	-29.9	0	0	0	110.1
5	G	50.4	Low	61.3	Low	56 Å²	56	90.1 Å²	90.1	58%	0.577	54%	0.54	S	S	*	.	S	Bend	trans	97.6	169	166	0	0	0	0	0	116.6	F3 L7	F3-G5 PolarHBondContact O-N 3.03Å; G5-L7 PolarHBondContact O-N 3.38Å
6	N	54.6	Low	61.3	Low	162 Å²	162	92.4 Å²	92.4	87%	0.866	56%	0.561	S	S	*	*			trans	-57.2	106	176.3	-73.4	-29.4	0	0	0	110.6	Q8	N6-Q8 PolarHBondContact O-N 3.18Å
7	L	61.3	Low	61.6	Low	78 Å²	78	97.6 Å²	97.6	41%	0.408	57%	0.568	S	S	.	*			trans	-65.8	112.8	174.8	-73.1	165.8	0	0	0	109.6	F3 G5 M37	F3-L7 HydrophobicContact CB-CD1 4.48Å; G5-L7 PolarHBondContact O-N 3.38Å; L7-M37 HydrophobicContact CB-CE 3.91Å; L7-M37 HydrophobicContact CB-SD 3.59Å; L7-M37 VanDerWaalsContact CB-SD 3.59Å; L7-M37 HydrophobicContact CD1-CE 3.93Å; L7-M37 HydrophobicContact CD1-SD 3.88Å; L7-M37 HydrophobicContact CG-SD 4.36Å; L7-M37 WeakPolarHBondContact O-CB 3.27Å
8	Q	66.8	Low	61.2	Low	170 Å²	170	101.1 Å²	101.1	79%	0.794	58%	0.576	S	S	*	*			trans	-90.4	-32.2	-178.5	-66.6	-176.6	-15.1	0	0	112.9	N6 K38	N6-Q8 PolarHBondContact O-N 3.18Å; Q8-K38 PolarHBondContact O-N 2.97Å
9	L	76.1	Confident	60.5	Low	78 Å²	78	104.5 Å²	104.5	41%	0.408	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-150.6	133.3	-172.7	-178	64.9	0	0	0	111.3	L11 K38 V40	L9-L11 HydrophobicContact CD1-CD2 4.27Å; L9-L11 HydrophobicContact CD2-CD2 4.01Å; L9-L11 HydrophobicContact CD2-CG 4.45Å; L9-L11 HydrophobicContact CG-CD2 4.05Å; L9-L11 HydrophobicContact CG-CG 4.41Å; L9-K38 CarbonylContact C-O 3.52Å; L9-K38 WeakPolarHBondContact CA-O 3.46Å; L9-K38 HydrophobicContact CD1-CB 4.04Å; L9-K38 HydrophobicContact CD1-CD 4.14Å; L9-K38 HydrophobicContact CD1-CG 3.96Å; L9-V40 HydrophobicContact CD1-CG2 3.75Å
10	V	80	Confident	60.3	Low	48 Å²	48	104.4 Å²	104.4	29%	0.291	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.3	125.8	172.1	-179.2	0	0	0	0	108.8	V12 M37 K38 I39 V40	V10-V12 HydrophobicContact CG1-CG2 4.05Å; V10-M37 HydrophobicContact CG2-CG 4.23Å; V10-M37 HydrophobicContact CG2-SD 3.63Å; V10-K38 PolarHBondContact N-O 3.03Å; V10-I39 HydrophobicContact CB-CG1 4.27Å; V10-I39 CarbonylContact O-C 3.56Å; V10-I39 WeakPolarHBondContact O-CA 3.47Å; V10-V40 PolarHBondContact O-N 3.27Å
11	L	82.5	Confident	60.2	Low	48 Å²	48	104.2 Å²	104.2	25%	0.251	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.2	123.9	176.6	-59.7	179.5	0	0	0	109.1	L9 V40 L42 L48 Y51 V52	L9-L11 HydrophobicContact CD1-CD2 4.27Å; L9-L11 HydrophobicContact CD2-CD2 4.01Å; L9-L11 HydrophobicContact CD2-CG 4.45Å; L9-L11 HydrophobicContact CG-CD2 4.05Å; L9-L11 HydrophobicContact CG-CG 4.41Å; L11-V40 HydrophobicContact CD2-CB 3.83Å; L11-V40 HydrophobicContact CD2-CG1 4.37Å; L11-V40 HydrophobicContact CD2-CG2 4.44Å; L11-L42 HydrophobicContact CB-CD1 3.91Å; L11-L42 HydrophobicContact CD1-CD1 4.43Å; L11-L42 HydrophobicContact CD2-CD1 4.47Å; L11-L42 HydrophobicContact CG-CD1 4.5Å; L11-L48 HydrophobicContact CB-CD1 4.43Å; L11-L48 HydrophobicContact CD1-CD1 3.89Å; L11-Y51 HydrophobicContact CD1-CG 4.15Å; L11-Y51 HydrophobicContact CD2-CD1 4.03Å; L11-Y51 HydrophobicContact CD2-CD2 4.48Å; L11-Y51 HydrophobicContact CD2-CE1 4.47Å; L11-Y51 HydrophobicContact CD2-CG 4.05Å; L11-V52 HydrophobicContact CD1-CG2 3.64Å
12	V	82.4	Confident	61.4	Low	39 Å²	39	100.1 Å²	100.1	24%	0.236	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	112.9	-178.9	-176.9	0	0	0	0	109.2	V10 I28 I39 V40 M41 L42	V10-V12 HydrophobicContact CG1-CG2 4.05Å; V12-I28 HydrophobicContact CB-CD1 4.45Å; V12-I28 HydrophobicContact CG1-CD1 3.89Å; V12-I28 HydrophobicContact CG2-CD1 4.21Å; V12-I39 HydrophobicContact CG2-CG2 4.09Å; V12-V40 PolarHBondContact N-O 2.95Å; V12-M41 HydrophobicContact CB-CE 4.16Å; V12-M41 HydrophobicContact CB-SD 3.62Å; V12-M41 HydrophobicContact CG1-CE 3.87Å; V12-M41 HydrophobicContact CG1-SD 3.96Å; V12-M41 HydrophobicContact CG2-SD 4.12Å; V12-L42 PolarHBondContact O-N 2.81Å
13	L	81.1	Confident	62.7	Low	57 Å²	57	101.4 Å²	101.4	30%	0.298	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	121	176.1	-173	67	0	0	0	110.2	L42 S44 L45 F61	L13-L42 HydrophobicContact CD1-CB 4.07Å; L13-S44 VanDerWaalsContact CD1-C 3.47Å; L13-S44 VanDerWaalsContact CD1-O 3.29Å; L13-S44 WeakPolarHBondContact CD1-O 3.34Å; L13-L45 HydrophobicContact CD2-CD2 3.5Å; L13-L45 VanDerWaalsContact CD2-CD2 3.5Å; L13-L45 HydrophobicContact CD2-CG 4.14Å; L13-F61 HydrophobicContact CD2-CD1 4.24Å; L13-F61 HydrophobicContact CD2-CE1 4.36Å
14	R	77.7	Confident	63.6	Low	50 Å²	50	95 Å²	95	19%	0.189	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-68.8	141.3	-178.1	-74.8	178.3	170.8	108.5	4.6	112	R21 D25 M41 L42 N43	R14-R21 HydrophobicContact CB-CG 4.31Å; R14-R21 HydrophobicContact CG-CG 4.41Å; R14-D25 IonicContact CZ-OD1 3.35Å; R14-D25 IonicContact CZ-OD2 3.88Å; R14-D25 IonicContact NE-OD1 2.99Å; R14-D25 PolarHBondContact NE-OD1 3.32Å; R14-D25 IonicContact NE-OD2 3.21Å; R14-D25 PolarHBondContact NE-OD2 2.98Å; R14-D25 IonicContact NH2-OD1 2.62Å; R14-D25 PolarHBondContact NH2-OD1 3.41Å; R14-D25 IonicContact NH2-OD2 2.86Å; R14-M41 HydrophobicContact CG-CE 4.09Å; R14-M41 PolarHBondContact NH1-O 3.45Å; R14-L42 WeakPolarHBondContact CB-O 3.37Å; R14-L42 WeakPolarHBondContact CG-O 3.45Å; R14-L42 PolarHBondContact N-O 2.83Å; R14-N43 WeakPolarHBondContact CD-OD1 3.07Å; R14-N43 PolarHBondContact NH1-OD1 3.37Å
15	P	69.4	Low	64.4	Low	44 Å²	44	92.2 Å²	92.2	29%	0.286	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-59.5	142	170.3	-20.5	31.5	0	0	0	111.3	R17 Q20	P15-R17 VanDerWaalsContact C-N 3.27Å; P15-R17 PolarHBondContact O-N 3.23Å; P15-Q20 HydrophobicContact CB-CB 3.55Å; P15-Q20 HydrophobicContact CG-CB 3.86Å
16	S	61.9	Low	64.8	Low	126 Å²	126	94.1 Å²	94.1	88%	0.881	47%	0.473	S	S	*	.	S	Bend	trans	-71.4	-18.6	-179.8	48.1	0	0	0	0	113.8
17	R	65.9	Low	65	Low	181 Å²	181	88.2 Å²	88.2	68%	0.683	45%	0.45	S	S	*	.	S	Bend	trans	-89.5	127.8	-179.5	-62.8	-176.5	179.3	-177.7	0.8	111.3	P15 F19 Q20 R21	P15-R17 VanDerWaalsContact C-N 3.27Å; P15-R17 PolarHBondContact O-N 3.23Å; R17-F19 PolarHBondContact O-N 3.22Å; R17-Q20 PolarHBondContact O-N 2.98Å; R17-R21 PolarHBondContact O-N 3.29Å; R17-R21 VanDerWaalsContact O-N 3.17Å
18	F	53.9	Low	65	Low	160 Å²	160	86.8 Å²	86.8	70%	0.702	44%	0.443	S	S	*	.	H	α-helix	trans	-48.7	-46.6	-172	-173	-99.7	0	0	0	114.4	R21 T22	F18-R21 WeakPolarHBondContact O-CB 3.3Å; F18-R21 PolarHBondContact O-N 3.21Å; F18-T22 PolarHBondContact O-N 3.17Å; F18-T22 PolarHBondContact O-OG1 3.33Å
19	F	48.5	Very low	64.6	Low	167 Å²	167	86.4 Å²	86.4	73%	0.732	44%	0.438	S	S	*	.	H	α-helix	trans	-70.2	-32.6	-179.2	-71.7	-77.5	0	0	0	114	R17 R21 I23	R17-F19 PolarHBondContact O-N 3.22Å; F19-R21 VanDerWaalsContact C-N 3.35Å; F19-I23 WeakPolarHBondContact O-CD1 3.44Å; F19-I23 WeakPolarHBondContact O-CG1 3.39Å; F19-I23 PolarHBondContact O-N 3.4Å
20	Q	55.4	Low	63.7	Low	102 Å²	102	88.7 Å²	88.7	48%	0.477	45%	0.45	S	S	.	.	H	α-helix	trans	-74	-29.6	177.7	-69.8	176.2	-20.6	0	0	111.7	P15 R17 A24	P15-Q20 HydrophobicContact CB-CB 3.55Å; P15-Q20 HydrophobicContact CG-CB 3.86Å; R17-Q20 PolarHBondContact O-N 2.98Å; Q20-A24 WeakPolarHBondContact O-CB 3.37Å; Q20-A24 PolarHBondContact O-N 3.41Å
21	R	58.7	Low	62.5	Low	100 Å²	100	91 Å²	91	38%	0.377	46%	0.458	S	S	.	.	H	α-helix	trans	-65.1	-46	175.9	-170.2	171.9	179.1	172.4	1.9	112.1	R14 R17 F18 F19 I23 A24 D25 N43	R14-R21 HydrophobicContact CB-CG 4.31Å; R14-R21 HydrophobicContact CG-CG 4.41Å; R17-R21 PolarHBondContact O-N 3.29Å; R17-R21 VanDerWaalsContact O-N 3.17Å; F18-R21 WeakPolarHBondContact O-CB 3.3Å; F18-R21 PolarHBondContact O-N 3.21Å; F19-R21 VanDerWaalsContact C-N 3.35Å; R21-I23 PolarHBondContact O-N 2.91Å; R21-A24 PolarHBondContact O-N 3.44Å; R21-D25 PolarHBondContact O-N 2.97Å; R21-D25 VanDerWaalsContact O-N 3.07Å; R21-N43 PolarHBondContact NH2-OD1 3.45Å
22	T	52.4	Low	61.2	Low	67 Å²	67	95 Å²	95	41%	0.411	47%	0.473	S	S	.	.	H	α-helix	trans	-65.8	-38.1	180	-46.8	0	0	0	0	112.4	F18 I26	F18-T22 PolarHBondContact O-N 3.17Å; F18-T22 PolarHBondContact O-OG1 3.33Å; T22-I26 HydrophobicContact CG2-CD1 4.15Å; T22-I26 WeakPolarHBondContact O-CD1 3.43Å; T22-I26 VanDerWaalsContact O-CG1 3.25Å; T22-I26 WeakPolarHBondContact O-CG1 3.45Å; T22-I26 PolarHBondContact O-N 3.26Å
23	I	56.4	Low	59.9	Low	125 Å²	125	100.6 Å²	100.6	64%	0.641	50%	0.502	S	S	*	.	H	α-helix	trans	-69.5	-42.3	178.9	-64.6	168.1	0	0	0	111.2	F19 R21 I26 G27	F19-I23 WeakPolarHBondContact O-CD1 3.44Å; F19-I23 WeakPolarHBondContact O-CG1 3.39Å; F19-I23 PolarHBondContact O-N 3.4Å; R21-I23 PolarHBondContact O-N 2.91Å; I23-I26 PolarHBondContact O-N 3.21Å; I23-G27 PolarHBondContact O-N 2.82Å; I23-G27 VanDerWaalsContact O-N 3.1Å
24	A	58.3	Low	58.7	Low	29 Å²	29	103.5 Å²	103.5	24%	0.24	52%	0.517	C	S	.	.	H	α-helix	trans	-65.7	-39.3	177.3	0	0	0	0	0	112.8	Q20 R21 I26 I28	Q20-A24 WeakPolarHBondContact O-CB 3.37Å; Q20-A24 PolarHBondContact O-N 3.41Å; R21-A24 PolarHBondContact O-N 3.44Å; A24-I26 VanDerWaalsContact C-N 3.33Å; A24-I26 PolarHBondContact O-N 3.14Å; A24-I28 WeakPolarHBondContact O-CG1 3.33Å; A24-I28 PolarHBondContact O-N 2.91Å
25	D	58.8	Low	57.7	Low	49 Å²	49	105.7 Å²	105.7	26%	0.262	53%	0.528	S	S	.	.	H	α-helix	trans	-68	-30.4	177.5	-80.2	-36.8	0	0	0	112.4	R14 R21 K29 M41	R14-D25 IonicContact CZ-OD1 3.35Å; R14-D25 IonicContact CZ-OD2 3.88Å; R14-D25 IonicContact NE-OD1 2.99Å; R14-D25 PolarHBondContact NE-OD1 3.32Å; R14-D25 IonicContact NE-OD2 3.21Å; R14-D25 PolarHBondContact NE-OD2 2.98Å; R14-D25 IonicContact NH2-OD1 2.62Å; R14-D25 PolarHBondContact NH2-OD1 3.41Å; R14-D25 IonicContact NH2-OD2 2.86Å; R21-D25 PolarHBondContact O-N 2.97Å; R21-D25 VanDerWaalsContact O-N 3.07Å; D25-K29 WeakPolarHBondContact O-CB 3.36Å; D25-K29 PolarHBondContact O-N 3.41Å; D25-M41 WeakPolarHBondContact OD1-CE 3.38Å
26	I	59.2	Low	57.3	Low	97 Å²	97	114.1 Å²	114.1	50%	0.497	56%	0.561	S	S	.	*	H	α-helix	trans	-75	-47.5	175.9	-68.6	166.2	0	0	0	111	T22 I23 A24 I28 K29 L30	T22-I26 HydrophobicContact CG2-CD1 4.15Å; T22-I26 WeakPolarHBondContact O-CD1 3.43Å; T22-I26 VanDerWaalsContact O-CG1 3.25Å; T22-I26 WeakPolarHBondContact O-CG1 3.45Å; T22-I26 PolarHBondContact O-N 3.26Å; I23-I26 PolarHBondContact O-N 3.21Å; A24-I26 VanDerWaalsContact C-N 3.33Å; A24-I26 PolarHBondContact O-N 3.14Å; I26-I28 VanDerWaalsContact C-N 3.35Å; I26-I28 PolarHBondContact O-N 3.4Å; I26-K29 PolarHBondContact O-N 3.48Å; I26-L30 HydrophobicContact CG2-CD1 3.85Å; I26-L30 PolarHBondContact O-N 3.25Å; I26-L30 VanDerWaalsContact O-N 3.15Å
27	G	58.5	Low	57.7	Low	38 Å²	38	110.8 Å²	110.8	39%	0.392	53%	0.532	S	S	.	.	H	α-helix	trans	-62.5	-37.4	-177.7	0	0	0	0	0	113.8	I23	I23-G27 PolarHBondContact O-N 2.82Å; I23-G27 VanDerWaalsContact O-N 3.1Å
28	I	60.8	Low	58.2	Low	48 Å²	48	109.2 Å²	109.2	25%	0.246	53%	0.53	C	S	.	.	H	α-helix	trans	-79.6	-30.7	178.8	-63.7	169.5	0	0	0	111.6	V12 A24 I26 L30 H31 K32 I39 M41	V12-I28 HydrophobicContact CB-CD1 4.45Å; V12-I28 HydrophobicContact CG1-CD1 3.89Å; V12-I28 HydrophobicContact CG2-CD1 4.21Å; A24-I28 WeakPolarHBondContact O-CG1 3.33Å; A24-I28 PolarHBondContact O-N 2.91Å; I26-I28 VanDerWaalsContact C-N 3.35Å; I26-I28 PolarHBondContact O-N 3.4Å; I28-L30 VanDerWaalsContact C-N 3.34Å; I28-H31 PolarHBondContact O-N 2.79Å; I28-K32 PolarHBondContact O-N 3.26Å; I28-K32 VanDerWaalsContact O-N 3.15Å; I28-I39 HydrophobicContact CG2-CD1 4.45Å; I28-I39 HydrophobicContact CG2-CG2 4.23Å; I28-M41 HydrophobicContact CD1-CE 3.78Å; I28-M41 HydrophobicContact CD1-SD 3.73Å; I28-M41 HydrophobicContact CG2-SD 4.3Å
29	K	59.5	Low	59.3	Low	161 Å²	161	103.7 Å²	103.7	70%	0.7	51%	0.507	S	S	*	.	H	α-helix	trans	-65.5	-35.7	174.1	-116	177.6	173.4	-178.5	0	112.6	D25 I26 H31 K32	D25-K29 WeakPolarHBondContact O-CB 3.36Å; D25-K29 PolarHBondContact O-N 3.41Å; I26-K29 PolarHBondContact O-N 3.48Å; K29-H31 VanDerWaalsContact C-N 3.27Å; K29-H31 PolarHBondContact O-N 2.89Å; K29-K32 PolarHBondContact O-N 2.93Å
30	L	56.6	Low	60.9	Low	127 Å²	127	96.8 Å²	96.8	67%	0.665	48%	0.479	S	S	*	.	H	α-helix	trans	-66.3	-27	-179.5	-105.7	129.8	0	0	0	113.5	I26 I28	I26-L30 HydrophobicContact CG2-CD1 3.85Å; I26-L30 PolarHBondContact O-N 3.25Å; I26-L30 VanDerWaalsContact O-N 3.15Å; I28-L30 VanDerWaalsContact C-N 3.34Å
31	H	54.9	Low	62.2	Low	97 Å²	97	93.9 Å²	93.9	45%	0.449	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	8.3	-179.2	-68.8	-67.5	0	0	0	113.5	I28 K29 D33 D34 F35	I28-H31 PolarHBondContact O-N 2.79Å; K29-H31 VanDerWaalsContact C-N 3.27Å; K29-H31 PolarHBondContact O-N 2.89Å; H31-D33 PolarHBondContact O-N 3.42Å; H31-D34 IonicContact CG-OD2 2.81Å; H31-D34 IonicContact ND1-OD2 3.71Å; H31-D34 PolarHBondContact ND1-OD2 3.36Å; H31-D34 WeakPolarHBondContact O-CB 3.48Å; H31-D34 PolarHBondContact O-N 2.99Å; H31-D34 VanDerWaalsContact O-N 3.07Å; H31-F35 HydrophobicContact CB-CD2 4.34Å; H31-F35 HydrophobicContact CB-CE2 3.54Å; H31-F35 HydrophobicContact CB-CZ 4.19Å; H31-F35 WeakPolarHBondContact O-CD2 3.49Å; H31-F35 VanDerWaalsContact O-CE2 3.25Å; H31-F35 WeakPolarHBondContact O-CE2 3.49Å
32	K	54.6	Low	63.3	Low	130 Å²	130	89.3 Å²	89.3	57%	0.565	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-33.2	-171.9	-169.2	-178.9	174.2	-168.3	0	113	I28 K29	I28-K32 PolarHBondContact O-N 3.26Å; I28-K32 VanDerWaalsContact O-N 3.15Å; K29-K32 PolarHBondContact O-N 2.93Å
33	D	56	Low	64.7	Low	158 Å²	158	90.1 Å²	90.1	85%	0.845	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-13	-179.3	-62.3	-29.7	0	0	0	113	H31 F35	H31-D33 PolarHBondContact O-N 3.42Å; D33-F35 VanDerWaalsContact C-N 3.35Å
34	D	55.6	Low	66	Low	117 Å²	117	86.1 Å²	86.1	63%	0.626	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-18.2	177.5	-63.8	-29.8	0	0	0	112.4	H31	H31-D34 IonicContact CG-OD2 2.81Å; H31-D34 IonicContact ND1-OD2 3.71Å; H31-D34 PolarHBondContact ND1-OD2 3.36Å; H31-D34 WeakPolarHBondContact O-CB 3.48Å; H31-D34 PolarHBondContact O-N 2.99Å; H31-D34 VanDerWaalsContact O-N 3.07Å
35	F	57.1	Low	67.2	Low	96 Å²	96	88.3 Å²	88.3	42%	0.421	44%	0.441	S	S	.	.			trans	-99	116.9	-174.7	-62.3	-66.8	0	0	0	111.9	H31 D33 M37 I39	H31-F35 HydrophobicContact CB-CD2 4.34Å; H31-F35 HydrophobicContact CB-CE2 3.54Å; H31-F35 HydrophobicContact CB-CZ 4.19Å; H31-F35 WeakPolarHBondContact O-CD2 3.49Å; H31-F35 VanDerWaalsContact O-CE2 3.25Å; H31-F35 WeakPolarHBondContact O-CE2 3.49Å; D33-F35 VanDerWaalsContact C-N 3.35Å; F35-M37 HydrophobicContact CB-CG 4.2Å; F35-M37 PolarHBondContact O-N 2.85Å; F35-I39 HydrophobicContact CB-CD1 4.24Å; F35-I39 HydrophobicContact CD2-CD1 3.67Å; F35-I39 HydrophobicContact CE2-CD1 4.32Å; F35-I39 HydrophobicContact CG-CD1 4.12Å
36	K	60.6	Low	68.4	Low	221 Å²	221	90.2 Å²	90.2	96%	0.961	46%	0.458	S	S	*	.	S	Bend	trans	-69.1	16.9	172.2	-65	-174.1	178.6	-179	0	114.5
37	M	69.4	Low	69.6	Low	56 Å²	56	88.4 Å²	88.4	28%	0.276	45%	0.45	S	S	.	.	S	Bend	trans	-132.9	151.7	-172.4	68.5	-168.4	76.4	0	0	112.2	L7 V10 F35 I39	L7-M37 HydrophobicContact CB-CE 3.91Å; L7-M37 HydrophobicContact CB-SD 3.59Å; L7-M37 VanDerWaalsContact CB-SD 3.59Å; L7-M37 HydrophobicContact CD1-CE 3.93Å; L7-M37 HydrophobicContact CD1-SD 3.88Å; L7-M37 HydrophobicContact CG-SD 4.36Å; L7-M37 WeakPolarHBondContact O-CB 3.27Å; V10-M37 HydrophobicContact CG2-CG 4.23Å; V10-M37 HydrophobicContact CG2-SD 3.63Å; F35-M37 HydrophobicContact CB-CG 4.2Å; F35-M37 PolarHBondContact O-N 2.85Å; M37-I39 PolarHBondContact O-N 3.47Å
38	K	76.1	Confident	70.9	Confident	148 Å²	148	87.3 Å²	87.3	64%	0.643	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	124.6	-177.9	-171.9	174.3	179.1	178.7	0	110.5	Q8 L9 V10 V40	Q8-K38 PolarHBondContact O-N 2.97Å; L9-K38 CarbonylContact C-O 3.52Å; L9-K38 WeakPolarHBondContact CA-O 3.46Å; L9-K38 HydrophobicContact CD1-CB 4.04Å; L9-K38 HydrophobicContact CD1-CD 4.14Å; L9-K38 HydrophobicContact CD1-CG 3.96Å; V10-K38 PolarHBondContact N-O 3.03Å; K38-V40 HydrophobicContact CG-CG2 4.34Å
39	I	78.4	Confident	72.1	Confident	44 Å²	44	87.1 Å²	87.1	23%	0.226	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.1	175.1	-53.1	177.6	0	0	0	109.2	V10 V12 I28 F35 M37 M41	V10-I39 HydrophobicContact CB-CG1 4.27Å; V10-I39 CarbonylContact O-C 3.56Å; V10-I39 WeakPolarHBondContact O-CA 3.47Å; V12-I39 HydrophobicContact CG2-CG2 4.09Å; I28-I39 HydrophobicContact CG2-CD1 4.45Å; I28-I39 HydrophobicContact CG2-CG2 4.23Å; F35-I39 HydrophobicContact CB-CD1 4.24Å; F35-I39 HydrophobicContact CD2-CD1 3.67Å; F35-I39 HydrophobicContact CE2-CD1 4.32Å; F35-I39 HydrophobicContact CG-CD1 4.12Å; M37-I39 PolarHBondContact O-N 3.47Å; I39-M41 HydrophobicContact CG2-SD 4.49Å
40	V	81.7	Confident	73.2	Confident	23 Å²	23	82.8 Å²	82.8	14%	0.139	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125	178.3	-179.8	0	0	0	0	109.9	L9 V10 L11 V12 K38 L42 Y51	L9-V40 HydrophobicContact CD1-CG2 3.75Å; V10-V40 PolarHBondContact O-N 3.27Å; L11-V40 HydrophobicContact CD2-CB 3.83Å; L11-V40 HydrophobicContact CD2-CG1 4.37Å; L11-V40 HydrophobicContact CD2-CG2 4.44Å; V12-V40 PolarHBondContact N-O 2.95Å; K38-V40 HydrophobicContact CG-CG2 4.34Å; V40-L42 HydrophobicContact CG1-CD2 3.95Å; V40-Y51 HydrophobicContact CG1-CE1 4.48Å; V40-Y51 HydrophobicContact CG1-CE2 4.31Å
41	M	82.1	Confident	74.5	Confident	40 Å²	40	83 Å²	83	20%	0.197	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.3	179	-58.5	-63.6	-68.2	0	0	110.4	V12 R14 D25 I28 I39	V12-M41 HydrophobicContact CB-CE 4.16Å; V12-M41 HydrophobicContact CB-SD 3.62Å; V12-M41 HydrophobicContact CG1-CE 3.87Å; V12-M41 HydrophobicContact CG1-SD 3.96Å; V12-M41 HydrophobicContact CG2-SD 4.12Å; R14-M41 HydrophobicContact CG-CE 4.09Å; R14-M41 PolarHBondContact NH1-O 3.45Å; D25-M41 WeakPolarHBondContact OD1-CE 3.38Å; I28-M41 HydrophobicContact CD1-CE 3.78Å; I28-M41 HydrophobicContact CD1-SD 3.73Å; I28-M41 HydrophobicContact CG2-SD 4.3Å; I39-M41 HydrophobicContact CG2-SD 4.49Å
42	L	82.8	Confident	75.8	Confident	5 Å²	5	79.9 Å²	79.9	3%	0.026	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	140	-176	-55.9	175.2	0	0	0	110.4	L11 V12 L13 R14 V40 D47 L48 Y51	L11-L42 HydrophobicContact CB-CD1 3.91Å; L11-L42 HydrophobicContact CD1-CD1 4.43Å; L11-L42 HydrophobicContact CD2-CD1 4.47Å; L11-L42 HydrophobicContact CG-CD1 4.5Å; V12-L42 PolarHBondContact O-N 2.81Å; L13-L42 HydrophobicContact CD1-CB 4.07Å; R14-L42 WeakPolarHBondContact CB-O 3.37Å; R14-L42 WeakPolarHBondContact CG-O 3.45Å; R14-L42 PolarHBondContact N-O 2.83Å; V40-L42 HydrophobicContact CG1-CD2 3.95Å; L42-D47 HydrophobicContact CB-CB 4.14Å; L42-D47 HydrophobicContact CD2-CB 3.93Å; L42-L48 HydrophobicContact CD1-CB 3.76Å; L42-L48 HydrophobicContact CD1-CD1 3.63Å; L42-L48 HydrophobicContact CD1-CG 4.3Å; L42-Y51 HydrophobicContact CD2-CD2 3.69Å; L42-Y51 HydrophobicContact CD2-CE2 3.54Å
43	N	81.4	Confident	77	Confident	84 Å²	84	78.2 Å²	78.2	45%	0.449	41%	0.412	S	S	.	.	S	Bend	trans	-96.7	-18.5	-177.6	-64.2	-52	0	0	0	113.1	R14 R21 D47	R14-N43 WeakPolarHBondContact CD-OD1 3.07Å; R14-N43 PolarHBondContact NH1-OD1 3.37Å; R21-N43 PolarHBondContact NH2-OD1 3.45Å; N43-D47 WeakPolarHBondContact CA-OD2 3.41Å; N43-D47 WeakPolarHBondContact CB-OD2 3.49Å; N43-D47 PolarHBondContact N-OD2 3.32Å
44	S	84.3	Confident	78.2	Confident	41 Å²	41	76 Å²	76	29%	0.287	40%	0.395	S	S	.	.	S	Bend	trans	-148.7	161.9	-176.6	79.9	0	0	0	0	111.8	L13 S46 D47 L48	L13-S44 VanDerWaalsContact CD1-C 3.47Å; L13-S44 VanDerWaalsContact CD1-O 3.29Å; L13-S44 WeakPolarHBondContact CD1-O 3.34Å; S44-S46 PolarHBondContact O-N 2.96Å; S44-S46 WeakPolarHBondContact OG-CB 3.48Å; S44-S46 PolarHBondContact OG-N 3.33Å; S44-D47 PolarHBondContact N-OD2 3.19Å; S44-D47 WeakPolarHBondContact O-CB 3.33Å; S44-D47 PolarHBondContact O-N 2.7Å; S44-D47 VanDerWaalsContact OG-CG 3.23Å; S44-D47 PolarHBondContact OG-N 2.97Å; S44-D47 PolarHBondContact OG-OD1 3Å; S44-L48 PolarHBondContact O-N 3.29Å
45	L	82.4	Confident	79.1	Confident	74 Å²	74	72 Å²	72	39%	0.387	38%	0.376	S	S	.	.	H	α-helix	trans	-62.4	-30.7	170.3	-74.9	170.7	0	0	0	111.8	L13 D47 L48 H49 F61	L13-L45 HydrophobicContact CD2-CD2 3.5Å; L13-L45 VanDerWaalsContact CD2-CD2 3.5Å; L13-L45 HydrophobicContact CD2-CG 4.14Å; L45-D47 VanDerWaalsContact C-N 3.31Å; L45-D47 PolarHBondContact O-N 3.49Å; L45-L48 HydrophobicContact CD2-CD2 4.29Å; L45-L48 WeakPolarHBondContact O-CB 3.46Å; L45-L48 PolarHBondContact O-N 3.21Å; L45-H49 PolarHBondContact O-CD2 3.44Å; L45-H49 PolarHBondContact O-N 3.34Å; L45-H49 PolarHBondContact O-ND1 2.99Å; L45-F61 HydrophobicContact CD2-CB 4.32Å; L45-F61 HydrophobicContact CD2-CD1 4.17Å
46	S	83.8	Confident	80	Confident	90 Å²	90	71.8 Å²	71.8	63%	0.629	38%	0.376	S	S	*	.	H	α-helix	trans	-64.4	-36.7	174.9	-56.3	0	0	0	0	112	S44 L48 H49 G50	S44-S46 PolarHBondContact O-N 2.96Å; S44-S46 WeakPolarHBondContact OG-CB 3.48Å; S44-S46 PolarHBondContact OG-N 3.33Å; S46-L48 VanDerWaalsContact C-N 3.34Å; S46-H49 PolarHBondContact O-N 3.28Å; S46-G50 PolarHBondContact O-N 3.22Å
47	D	85.1	Confident	80.9	Confident	59 Å²	59	62.2 Å²	62.2	32%	0.316	34%	0.335	S	S	.	.	H	α-helix	trans	-63.7	-43.6	174.2	-54.9	-6.1	0	0	0	109.8	L42 N43 S44 L45 H49 G50 Y51	L42-D47 HydrophobicContact CB-CB 4.14Å; L42-D47 HydrophobicContact CD2-CB 3.93Å; N43-D47 WeakPolarHBondContact CA-OD2 3.41Å; N43-D47 WeakPolarHBondContact CB-OD2 3.49Å; N43-D47 PolarHBondContact N-OD2 3.32Å; S44-D47 PolarHBondContact N-OD2 3.19Å; S44-D47 WeakPolarHBondContact O-CB 3.33Å; S44-D47 PolarHBondContact O-N 2.7Å; S44-D47 VanDerWaalsContact OG-CG 3.23Å; S44-D47 PolarHBondContact OG-N 2.97Å; S44-D47 PolarHBondContact OG-OD1 3Å; L45-D47 VanDerWaalsContact C-N 3.31Å; L45-D47 PolarHBondContact O-N 3.49Å; D47-H49 VanDerWaalsContact C-N 3.31Å; D47-H49 PolarHBondContact O-N 3.21Å; D47-G50 PolarHBondContact O-N 3.01Å; D47-Y51 VanDerWaalsContact O-CD2 3.29Å; D47-Y51 WeakPolarHBondContact O-CD2 3.47Å
48	L	84.9	Confident	81.5	Confident	15 Å²	15	60.6 Å²	60.6	8%	0.079	33%	0.328	C	S	.	.	H	α-helix	trans	-58.9	-42.2	176.1	179.7	62.8	0	0	0	111.8	L11 L42 S44 L45 S46 G50 Y51 V52 L57 F61	L11-L48 HydrophobicContact CB-CD1 4.43Å; L11-L48 HydrophobicContact CD1-CD1 3.89Å; L42-L48 HydrophobicContact CD1-CB 3.76Å; L42-L48 HydrophobicContact CD1-CD1 3.63Å; L42-L48 HydrophobicContact CD1-CG 4.3Å; S44-L48 PolarHBondContact O-N 3.29Å; L45-L48 HydrophobicContact CD2-CD2 4.29Å; L45-L48 WeakPolarHBondContact O-CB 3.46Å; L45-L48 PolarHBondContact O-N 3.21Å; S46-L48 VanDerWaalsContact C-N 3.34Å; L48-G50 PolarHBondContact O-N 3.45Å; L48-Y51 PolarHBondContact O-N 3.25Å; L48-V52 HydrophobicContact CD1-CG2 4.32Å; L48-V52 PolarHBondContact O-N 3.12Å; L48-L57 HydrophobicContact CD2-CD1 3.97Å; L48-L57 HydrophobicContact CD2-CD2 4.15Å; L48-L57 HydrophobicContact CG-CD1 4.01Å; L48-L57 HydrophobicContact CG-CD2 4.46Å; L48-F61 HydrophobicContact CD2-CB 4.15Å; L48-F61 HydrophobicContact CD2-CD1 4.17Å; L48-F61 HydrophobicContact CD2-CG 4.36Å
49	H	86.4	Confident	81.8	Confident	44 Å²	44	60.6 Å²	60.6	20%	0.204	33%	0.331	C	S	.	.	H	α-helix	trans	-66.8	-18.2	177.4	-59.2	159.6	0	0	0	113.4	L45 S46 D47 V52 K54 L57 F61	L45-H49 PolarHBondContact O-CD2 3.44Å; L45-H49 PolarHBondContact O-N 3.34Å; L45-H49 PolarHBondContact O-ND1 2.99Å; S46-H49 PolarHBondContact O-N 3.28Å; D47-H49 VanDerWaalsContact C-N 3.31Å; D47-H49 PolarHBondContact O-N 3.21Å; H49-V52 WeakPolarHBondContact CA-O 3.5Å; H49-K54 HydrophobicContact CB-CG 4.37Å; H49-K54 WeakPolarHBondContact ND1-CE 3.3Å; H49-L57 VanDerWaalsContact CD2-CD1 3.44Å; H49-L57 WeakPolarHBondContact CD2-CD1 3.35Å; H49-F61 PolarHBondContact NE2-O 3.48Å
50	G	84	Confident	81.9	Confident	70 Å²	70	65.4 Å²	65.4	72%	0.722	35%	0.352	S	S	*	.	H	α-helix	trans	-76.5	-22.6	170.6	0	0	0	0	0	113.9	S46 D47 L48	S46-G50 PolarHBondContact O-N 3.22Å; D47-G50 PolarHBondContact O-N 3.01Å; L48-G50 PolarHBondContact O-N 3.45Å
51	Y	82.9	Confident	82	Confident	131 Å²	131	68 Å²	68	51%	0.514	36%	0.362	S	S	.	.	H	α-helix	trans	-99.9	-33.4	177	-73.2	-90.2	0	0	0	113.1	L11 V40 L42 D47 L48	L11-Y51 HydrophobicContact CD1-CG 4.15Å; L11-Y51 HydrophobicContact CD2-CD1 4.03Å; L11-Y51 HydrophobicContact CD2-CD2 4.48Å; L11-Y51 HydrophobicContact CD2-CE1 4.47Å; L11-Y51 HydrophobicContact CD2-CG 4.05Å; V40-Y51 HydrophobicContact CG1-CE1 4.48Å; V40-Y51 HydrophobicContact CG1-CE2 4.31Å; L42-Y51 HydrophobicContact CD2-CD2 3.69Å; L42-Y51 HydrophobicContact CD2-CE2 3.54Å; D47-Y51 VanDerWaalsContact O-CD2 3.29Å; D47-Y51 WeakPolarHBondContact O-CD2 3.47Å; L48-Y51 PolarHBondContact O-N 3.25Å
52	V	81.3	Confident	81.9	Confident	32 Å²	32	68.2 Å²	68.2	19%	0.194	37%	0.374	C	S	.	.	S	Bend	trans	-131.6	126.7	-173.9	-174.3	0	0	0	0	109.4	L11 L48 H49 Q56 L57	L11-V52 HydrophobicContact CD1-CG2 3.64Å; L48-V52 HydrophobicContact CD1-CG2 4.32Å; L48-V52 PolarHBondContact O-N 3.12Å; H49-V52 WeakPolarHBondContact CA-O 3.5Å; V52-Q56 HydrophobicContact CG1-CB 3.91Å; V52-L57 HydrophobicContact CB-CD1 4.44Å; V52-L57 HydrophobicContact CB-CD2 4.31Å; V52-L57 HydrophobicContact CB-CG 4.41Å; V52-L57 HydrophobicContact CG1-CD1 4.45Å; V52-L57 HydrophobicContact CG1-CD2 3.89Å; V52-L57 HydrophobicContact CG1-CG 3.93Å
53	D	80.7	Confident	81.9	Confident	94 Å²	94	68.6 Å²	68.6	50%	0.503	38%	0.379	S	S	.	.			trans	-60.2	139.5	177.3	-173.8	-87.4	0	0	0	111.2	S55 Q56	D53-S55 PolarHBondContact O-N 3.28Å; D53-S55 VanDerWaalsContact O-N 3.09Å; D53-S55 WeakPolarHBondContact OD1-CA 3.33Å; D53-S55 WeakPolarHBondContact OD1-CB 3.24Å; D53-S55 PolarHBondContact OD1-N 3.01Å; D53-S55 PolarHBondContact OD1-OG 3.06Å; D53-Q56 HydrophobicContact CB-CG 4.48Å; D53-Q56 WeakPolarHBondContact O-CB 3.48Å; D53-Q56 PolarHBondContact O-N 3.26Å
54	K	80.7	Confident	81.7	Confident	113 Å²	113	67.3 Å²	67.3	49%	0.491	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-58.4	-26.8	-177.9	-64.2	-174.4	-174.5	-169.1	0	113.1	H49 Q56 L57 G63 S64	H49-K54 HydrophobicContact CB-CG 4.37Å; H49-K54 WeakPolarHBondContact ND1-CE 3.3Å; K54-Q56 PolarHBondContact O-N 2.89Å; K54-L57 PolarHBondContact O-N 3.36Å; K54-G63 CarbonylContact O-C 3.47Å; K54-G63 WeakPolarHBondContact O-CA 3.43Å; K54-S64 PolarHBondContact O-N 3.45Å
55	S	76	Confident	81.3	Confident	33 Å²	33	67 Å²	67	23%	0.231	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-66.3	-17.5	175.2	67.1	0	0	0	0	113.8	D53 S64	D53-S55 PolarHBondContact O-N 3.28Å; D53-S55 VanDerWaalsContact O-N 3.09Å; D53-S55 WeakPolarHBondContact OD1-CA 3.33Å; D53-S55 WeakPolarHBondContact OD1-CB 3.24Å; D53-S55 PolarHBondContact OD1-N 3.01Å; D53-S55 PolarHBondContact OD1-OG 3.06Å; S55-S64 WeakPolarHBondContact CA-OG 3.4Å
56	Q	75.4	Confident	80.7	Confident	91 Å²	91	70.2 Å²	70.2	43%	0.425	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-101	2.5	-178.9	-56.8	-177	2.5	0	0	113.1	V52 D53 K54 L65	V52-Q56 HydrophobicContact CG1-CB 3.91Å; D53-Q56 HydrophobicContact CB-CG 4.48Å; D53-Q56 WeakPolarHBondContact O-CB 3.48Å; D53-Q56 PolarHBondContact O-N 3.26Å; K54-Q56 PolarHBondContact O-N 2.89Å; Q56-L65 WeakPolarHBondContact O-CD2 3.36Å
57	L	80.1	Confident	80.2	Confident	20 Å²	20	71.2 Å²	71.2	11%	0.105	38%	0.376	C	S	.	.	S	Bend	trans	-110.4	141.3	-178.6	-66.9	173.1	0	0	0	110.2	L48 H49 V52 K54 F61 G63 S64 L65	L48-L57 HydrophobicContact CD2-CD1 3.97Å; L48-L57 HydrophobicContact CD2-CD2 4.15Å; L48-L57 HydrophobicContact CG-CD1 4.01Å; L48-L57 HydrophobicContact CG-CD2 4.46Å; H49-L57 VanDerWaalsContact CD2-CD1 3.44Å; H49-L57 WeakPolarHBondContact CD2-CD1 3.35Å; V52-L57 HydrophobicContact CB-CD1 4.44Å; V52-L57 HydrophobicContact CB-CD2 4.31Å; V52-L57 HydrophobicContact CB-CG 4.41Å; V52-L57 HydrophobicContact CG1-CD1 4.45Å; V52-L57 HydrophobicContact CG1-CD2 3.89Å; V52-L57 HydrophobicContact CG1-CG 3.93Å; K54-L57 PolarHBondContact O-N 3.36Å; L57-F61 HydrophobicContact CB-CB 4.2Å; L57-F61 HydrophobicContact CD2-CB 4.42Å; L57-G63 CarbonylContact O-C 3.17Å; L57-G63 WeakPolarHBondContact O-CA 3.35Å; L57-S64 PolarHBondContact O-N 2.97Å; L57-L65 VanDerWaalsContact C-CB 3.47Å; L57-L65 WeakPolarHBondContact O-CB 3.31Å; L57-L65 PolarHBondContact O-N 3.24Å
58	T	81.9	Confident	79.8	Confident	21 Å²	21	70.3 Å²	70.3	13%	0.129	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-67.7	163	174.2	49	0	0	0	0	110.9	E60 F61 G63 L65 Y67	T58-E60 PolarHBondContact O-N 3.01Å; T58-E60 VanDerWaalsContact O-N 3.14Å; T58-E60 WeakPolarHBondContact OG1-CG 3.36Å; T58-E60 PolarHBondContact OG1-OE1 2.92Å; T58-F61 PolarHBondContact O-N 3.29Å; T58-F61 WeakPolarHBondContact OG1-CD2 3.44Å; T58-G63 PolarHBondContact O-N 3.28Å; T58-G63 VanDerWaalsContact O-N 3.16Å; T58-L65 HydrophobicContact CG2-CD2 4.26Å; T58-Y67 VanDerWaalsContact CG2-CB 3.45Å; T58-Y67 HydrophobicContact CG2-CD1 4.24Å; T58-Y67 HydrophobicContact CG2-CG 4.06Å
59	Q	81.6	Confident	79.4	Confident	149 Å²	149	74.8 Å²	74.8	70%	0.696	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-56.5	-31.5	-177.9	-70	-176	0.6	0	0	113.1	F61 G62	Q59-F61 PolarHBondContact O-N 2.92Å; Q59-G62 PolarHBondContact O-N 3.18Å
60	E	79.8	Confident	78.9	Confident	145 Å²	145	76.8 Å²	76.8	68%	0.678	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-64.3	-20.9	177.6	73.8	-151.9	149.6	0	0	113.9	T58	T58-E60 PolarHBondContact O-N 3.01Å; T58-E60 VanDerWaalsContact O-N 3.14Å; T58-E60 WeakPolarHBondContact OG1-CG 3.36Å; T58-E60 PolarHBondContact OG1-OE1 2.92Å
61	F	83.7	Confident	78.4	Confident	77 Å²	77	78.8 Å²	78.8	34%	0.338	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-106.8	17.7	174.1	-61.6	-71	0	0	0	112.7	L13 L45 L48 H49 L57 T58 Q59 G63	L13-F61 HydrophobicContact CD2-CD1 4.24Å; L13-F61 HydrophobicContact CD2-CE1 4.36Å; L45-F61 HydrophobicContact CD2-CB 4.32Å; L45-F61 HydrophobicContact CD2-CD1 4.17Å; L48-F61 HydrophobicContact CD2-CB 4.15Å; L48-F61 HydrophobicContact CD2-CD1 4.17Å; L48-F61 HydrophobicContact CD2-CG 4.36Å; H49-F61 PolarHBondContact NE2-O 3.48Å; L57-F61 HydrophobicContact CB-CB 4.2Å; L57-F61 HydrophobicContact CD2-CB 4.42Å; T58-F61 PolarHBondContact O-N 3.29Å; T58-F61 WeakPolarHBondContact OG1-CD2 3.44Å; Q59-F61 PolarHBondContact O-N 2.92Å; F61-G63 VanDerWaalsContact C-N 3.32Å; F61-G63 PolarHBondContact O-N 3.4Å
62	G	80.3	Confident	78	Confident	44 Å²	44	78.2 Å²	78.2	45%	0.454	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	24.7	178.9	0	0	0	0	0	114.1	Q59	Q59-G62 PolarHBondContact O-N 3.18Å
63	G	82.1	Confident	77.8	Confident	13 Å²	13	80.2 Å²	80.2	13%	0.134	41%	0.409	C	S	.	.			trans	-103.4	-178	176.1	0	0	0	0	0	114.2	K54 L57 T58 F61	K54-G63 CarbonylContact O-C 3.47Å; K54-G63 WeakPolarHBondContact O-CA 3.43Å; L57-G63 CarbonylContact O-C 3.17Å; L57-G63 WeakPolarHBondContact O-CA 3.35Å; T58-G63 PolarHBondContact O-N 3.28Å; T58-G63 VanDerWaalsContact O-N 3.16Å; F61-G63 VanDerWaalsContact C-N 3.32Å; F61-G63 PolarHBondContact O-N 3.4Å
64	S	78.1	Confident	77.7	Confident	58 Å²	58	81.5 Å²	81.5	41%	0.406	41%	0.412	S	S	.	.			trans	-113.2	12.5	-177.2	74.2	0	0	0	0	113.8	K54 S55 L57 E66	K54-S64 PolarHBondContact O-N 3.45Å; S55-S64 WeakPolarHBondContact CA-OG 3.4Å; L57-S64 PolarHBondContact O-N 2.97Å; S64-E66 PolarHBondContact O-N 3.13Å
65	L	75.9	Confident	77.4	Confident	33 Å²	33	77.2 Å²	77.2	17%	0.173	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-76.4	115.9	178.2	-178.5	64	0	0	0	109.6	Q56 L57 T58 Y67 C159	Q56-L65 WeakPolarHBondContact O-CD2 3.36Å; L57-L65 VanDerWaalsContact C-CB 3.47Å; L57-L65 WeakPolarHBondContact O-CB 3.31Å; L57-L65 PolarHBondContact O-N 3.24Å; T58-L65 HydrophobicContact CG2-CD2 4.26Å; L65-Y67 PolarHBondContact O-N 3.24Å; L65-C159 VanDerWaalsContact CD1-CA 3.43Å; L65-C159 HydrophobicContact CD1-CB 3.91Å
66	E	70.4	Confident	77.4	Confident	142 Å²	142	79.1 Å²	79.1	66%	0.664	40%	0.396	S	S	*	.			trans	-76.1	114.3	168	-71.4	-174.1	164.8	0	0	109.2	S64 C159	S64-E66 PolarHBondContact O-N 3.13Å; E66-C159 PolarHBondContact N-SG 3.33Å
67	Y	72.5	Confident	77.7	Confident	112 Å²	112	77.9 Å²	77.9	44%	0.439	40%	0.395	S	S	.	.			trans	-127.7	129.3	179.8	175.9	-105.1	0	0	0	110.2	T58 L65 H69 W72	T58-Y67 VanDerWaalsContact CG2-CB 3.45Å; T58-Y67 HydrophobicContact CG2-CD1 4.24Å; T58-Y67 HydrophobicContact CG2-CG 4.06Å; L65-Y67 PolarHBondContact O-N 3.24Å; Y67-H69 HydrophobicContact CE1-CB 3.82Å; Y67-H69 AromaticContact CZ-ND1 3.85Å; Y67-H69 PolarHBondContact OH-ND1 3.18Å; Y67-W72 HydrophobicContact CE2-CB 3.81Å; Y67-W72 AromaticContact CE2-CG 3.99Å; Y67-W72 HydrophobicContact CE2-CG 3.99Å
68	S	77.8	Confident	77.6	Confident	40 Å²	40	78.2 Å²	78.2	28%	0.28	40%	0.4	S	S	.	.			trans	-119.1	114.5	169.9	172.3	0	0	0	0	109.2	S70 Q71 W72	S68-S70 VanDerWaalsContact C-N 3.29Å; S68-S70 PolarHBondContact O-N 3.09Å; S68-S70 PolarHBondContact OG-OG 3.07Å; S68-S70 VanDerWaalsContact OG-OG 3.12Å; S68-Q71 PolarHBondContact O-N 3.34Å; S68-Q71 PolarHBondContact OG-N 2.95Å; S68-W72 WeakPolarHBondContact O-CB 3.4Å; S68-W72 PolarHBondContact O-N 3.49Å
69	H	75.7	Confident	77.4	Confident	109 Å²	109	77.3 Å²	77.3	51%	0.505	40%	0.395	S	S	.	.	H	α-helix	trans	-61.4	-39.5	-178.7	-169.9	65.1	0	0	0	111.9	Y67 W72 I73	Y67-H69 HydrophobicContact CE1-CB 3.82Å; Y67-H69 AromaticContact CZ-ND1 3.85Å; Y67-H69 PolarHBondContact OH-ND1 3.18Å; H69-W72 PolarHBondContact O-N 2.94Å; H69-I73 WeakPolarHBondContact NE2-CD1 3.42Å; H69-I73 WeakPolarHBondContact O-CG1 3.37Å; H69-I73 PolarHBondContact O-N 3.09Å
70	S	76.2	Confident	77.4	Confident	86 Å²	86	74.7 Å²	74.7	60%	0.601	38%	0.382	S	S	*	.	H	α-helix	trans	-66.1	-41.9	178.5	55.1	0	0	0	0	112.5	S68 I73 H74	S68-S70 VanDerWaalsContact C-N 3.29Å; S68-S70 PolarHBondContact O-N 3.09Å; S68-S70 PolarHBondContact OG-OG 3.07Å; S68-S70 VanDerWaalsContact OG-OG 3.12Å; S70-I73 PolarHBondContact O-N 3.28Å; S70-H74 WeakPolarHBondContact O-CB 3.26Å; S70-H74 PolarHBondContact O-N 3.42Å
71	Q	73	Confident	77.6	Confident	111 Å²	111	72.3 Å²	72.3	52%	0.519	37%	0.374	S	S	.	.	H	α-helix	trans	-66.4	-41	174.8	-71.6	176.4	-9.7	0	0	111.7	S68 H74 H75	S68-Q71 PolarHBondContact O-N 3.34Å; S68-Q71 PolarHBondContact OG-N 2.95Å; Q71-H74 PolarHBondContact O-N 3.47Å; Q71-H75 PolarHBondContact O-CD2 3.48Å; Q71-H75 PolarHBondContact O-N 2.91Å
72	W	75.7	Confident	77.6	Confident	119 Å²	119	69.1 Å²	69.1	45%	0.451	36%	0.36	S	S	.	.	H	α-helix	trans	-60.3	-46.6	176	179.9	88.4	0	0	0	111.6	Y67 S68 H69 R76	Y67-W72 HydrophobicContact CE2-CB 3.81Å; Y67-W72 AromaticContact CE2-CG 3.99Å; Y67-W72 HydrophobicContact CE2-CG 3.99Å; S68-W72 WeakPolarHBondContact O-CB 3.4Å; S68-W72 PolarHBondContact O-N 3.49Å; H69-W72 PolarHBondContact O-N 2.94Å; W72-R76 HydrophobicContact CH2-CG 4.36Å; W72-R76 HydrophobicContact CZ2-CG 4.47Å; W72-R76 WeakPolarHBondContact O-CB 3.4Å; W72-R76 PolarHBondContact O-N 3.46Å
73	I	75.9	Confident	77.6	Confident	74 Å²	74	68.2 Å²	68.2	38%	0.379	35%	0.349	S	S	.	.	H	α-helix	trans	-59.2	-49.6	174.8	-70.7	175.1	0	0	0	110	H69 S70 H75 R76 T77	H69-I73 WeakPolarHBondContact NE2-CD1 3.42Å; H69-I73 WeakPolarHBondContact O-CG1 3.37Å; H69-I73 PolarHBondContact O-N 3.09Å; S70-I73 PolarHBondContact O-N 3.28Å; I73-H75 PolarHBondContact O-N 3.35Å; I73-R76 PolarHBondContact O-N 3.05Å; I73-R76 VanDerWaalsContact O-N 3.16Å; I73-T77 WeakPolarHBondContact O-CB 3.36Å; I73-T77 PolarHBondContact O-N 2.99Å; I73-T77 PolarHBondContact O-OG1 3.49Å
74	H	78.8	Confident	77.7	Confident	121 Å²	121	72.7 Å²	72.7	56%	0.56	37%	0.369	S	S	*	.	H	α-helix	trans	-57.8	-49	-178	-177.1	75.6	0	0	0	112.2	S70 Q71 R76 A78	S70-H74 WeakPolarHBondContact O-CB 3.26Å; S70-H74 PolarHBondContact O-N 3.42Å; Q71-H74 PolarHBondContact O-N 3.47Å; H74-R76 PolarHBondContact O-N 3.33Å; H74-A78 WeakPolarHBondContact O-CB 3.39Å; H74-A78 PolarHBondContact O-N 3.08Å
75	H	73.7	Confident	78	Confident	23 Å²	23	72 Å²	72	11%	0.106	36%	0.362	C	S	.	.	H	α-helix	trans	-63	-41.1	175.8	-67.2	-29.3	0	0	0	112.4	Q71 I73 A78 I79 Q147	Q71-H75 PolarHBondContact O-CD2 3.48Å; Q71-H75 PolarHBondContact O-N 2.91Å; I73-H75 PolarHBondContact O-N 3.35Å; H75-A78 PolarHBondContact O-N 3.28Å; H75-I79 WeakPolarHBondContact O-CB 3.46Å; H75-I79 WeakPolarHBondContact O-CD1 3.48Å; H75-I79 WeakPolarHBondContact O-CG1 3.43Å; H75-I79 PolarHBondContact O-N 3.29Å; H75-Q147 PolarHBondContact CE1-OE1 2.99Å; H75-Q147 VanDerWaalsContact CE1-OE1 3.27Å
76	R	77.6	Confident	78.3	Confident	74 Å²	74	71 Å²	71	28%	0.279	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-48.2	-179.9	-176.5	64.8	-173.7	171.3	5.1	111.3	W72 I73 H74 A78 I79 E80	W72-R76 HydrophobicContact CH2-CG 4.36Å; W72-R76 HydrophobicContact CZ2-CG 4.47Å; W72-R76 WeakPolarHBondContact O-CB 3.4Å; W72-R76 PolarHBondContact O-N 3.46Å; I73-R76 PolarHBondContact O-N 3.05Å; I73-R76 VanDerWaalsContact O-N 3.16Å; H74-R76 PolarHBondContact O-N 3.33Å; R76-A78 PolarHBondContact O-N 3.14Å; R76-I79 PolarHBondContact O-N 2.92Å; R76-E80 IonicContact CZ-OE1 3.11Å; R76-E80 IonicContact NE-OE1 2.74Å; R76-E80 PolarHBondContact NE-OE1 3.47Å; R76-E80 IonicContact NH2-OE1 3.07Å; R76-E80 PolarHBondContact NH2-OE1 3.01Å; R76-E80 WeakPolarHBondContact O-CG 3.45Å; R76-E80 PolarHBondContact O-N 3.46Å
77	T	80.7	Confident	78.9	Confident	65 Å²	65	70.3 Å²	70.3	40%	0.399	35%	0.352	S	S	.	.	H	α-helix	trans	-60.4	-44.1	177.2	-57.9	0	0	0	0	111.5	I73 I79 E80 N81	I73-T77 WeakPolarHBondContact O-CB 3.36Å; I73-T77 PolarHBondContact O-N 2.99Å; I73-T77 PolarHBondContact O-OG1 3.49Å; T77-I79 VanDerWaalsContact C-N 3.31Å; T77-I79 PolarHBondContact O-N 2.93Å; T77-E80 PolarHBondContact O-N 3.44Å; T77-N81 WeakPolarHBondContact O-CB 3.3Å; T77-N81 VanDerWaalsContact O-CG 3.26Å; T77-N81 PolarHBondContact O-N 3.28Å; T77-N81 PolarHBondContact O-ND2 3.37Å
78	A	79.1	Confident	79.5	Confident	26 Å²	26	67.8 Å²	67.8	22%	0.215	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-37.3	178.6	0	0	0	0	0	112.5	H74 H75 R76 F82 L140	H74-A78 WeakPolarHBondContact O-CB 3.39Å; H74-A78 PolarHBondContact O-N 3.08Å; H75-A78 PolarHBondContact O-N 3.28Å; R76-A78 PolarHBondContact O-N 3.14Å; A78-F82 WeakPolarHBondContact O-CB 3.45Å; A78-F82 PolarHBondContact O-N 3.17Å; A78-L140 HydrophobicContact CB-CD1 3.57Å
79	I	77.6	Confident	79.7	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-71.1	-40.5	176.7	-69	170.1	0	0	0	111.9	H75 R76 T77 F82 A83 L140 I144 S166 R170	H75-I79 WeakPolarHBondContact O-CB 3.46Å; H75-I79 WeakPolarHBondContact O-CD1 3.48Å; H75-I79 WeakPolarHBondContact O-CG1 3.43Å; H75-I79 PolarHBondContact O-N 3.29Å; R76-I79 PolarHBondContact O-N 2.92Å; T77-I79 VanDerWaalsContact C-N 3.31Å; T77-I79 PolarHBondContact O-N 2.93Å; I79-F82 PolarHBondContact O-N 2.91Å; I79-A83 WeakPolarHBondContact O-CB 3.43Å; I79-A83 PolarHBondContact O-N 3.12Å; I79-L140 HydrophobicContact CG1-CD2 4.18Å; I79-I144 HydrophobicContact CD1-CD1 4.3Å; I79-I144 HydrophobicContact CG1-CD1 4.43Å; I79-S166 WeakPolarHBondContact CD1-OG 3.43Å; I79-R170 HydrophobicContact CB-CG 4.45Å; I79-R170 HydrophobicContact CD1-CG 3.84Å; I79-R170 VanDerWaalsContact CD1-NE 3.31Å; I79-R170 VanDerWaalsContact CG1-CD 3.5Å; I79-R170 HydrophobicContact CG1-CG 3.68Å; I79-R170 HydrophobicContact CG2-CG 4.02Å
80	E	80.7	Confident	80	Confident	94 Å²	94	62.7 Å²	62.7	44%	0.439	33%	0.327	S	S	.	.	H	α-helix	trans	-65.9	-41.7	176.5	-73.7	178.4	170.7	0	0	111.3	R76 T77 A83 L84	R76-E80 IonicContact CZ-OE1 3.11Å; R76-E80 IonicContact NE-OE1 2.74Å; R76-E80 PolarHBondContact NE-OE1 3.47Å; R76-E80 IonicContact NH2-OE1 3.07Å; R76-E80 PolarHBondContact NH2-OE1 3.01Å; R76-E80 WeakPolarHBondContact O-CG 3.45Å; R76-E80 PolarHBondContact O-N 3.46Å; T77-E80 PolarHBondContact O-N 3.44Å; E80-A83 PolarHBondContact O-N 3.12Å; E80-L84 PolarHBondContact O-N 3.28Å
81	N	84.1	Confident	80.4	Confident	96 Å²	96	63.5 Å²	63.5	51%	0.513	32%	0.322	S	S	.	.	H	α-helix	trans	-61.5	-45.2	173.3	-72.4	-15.8	0	0	0	111.6	T77 A83 L84 T85	T77-N81 WeakPolarHBondContact O-CB 3.3Å; T77-N81 VanDerWaalsContact O-CG 3.26Å; T77-N81 PolarHBondContact O-N 3.28Å; T77-N81 PolarHBondContact O-ND2 3.37Å; N81-A83 PolarHBondContact O-N 3.5Å; N81-L84 WeakPolarHBondContact O-CB 3.39Å; N81-L84 PolarHBondContact O-N 2.84Å; N81-T85 PolarHBondContact O-N 3.22Å; N81-T85 PolarHBondContact O-OG1 2.97Å
82	F	83.3	Confident	80.9	Confident	9 Å²	9	61.4 Å²	61.4	4%	0.039	31%	0.313	C	S	.	.	H	α-helix	trans	-63.2	-41.3	176.4	177.8	-117.5	0	0	0	112.3	A78 I79 L84 T85 V86 A133 G137 L140 L173 L174	A78-F82 WeakPolarHBondContact O-CB 3.45Å; A78-F82 PolarHBondContact O-N 3.17Å; I79-F82 PolarHBondContact O-N 2.91Å; F82-L84 VanDerWaalsContact C-N 3.26Å; F82-L84 PolarHBondContact O-N 3.21Å; F82-T85 WeakPolarHBondContact O-CB 3.5Å; F82-T85 PolarHBondContact O-N 2.98Å; F82-T85 VanDerWaalsContact O-N 3.13Å; F82-V86 HydrophobicContact CD1-CG2 4.35Å; F82-V86 HydrophobicContact CD2-CG2 4.3Å; F82-V86 HydrophobicContact CE1-CG2 3.86Å; F82-V86 HydrophobicContact CE2-CG2 3.77Å; F82-V86 HydrophobicContact CZ-CG2 3.53Å; F82-V86 WeakPolarHBondContact O-CG2 3.31Å; F82-V86 PolarHBondContact O-N 3.18Å; F82-A133 WeakPolarHBondContact CE2-O 3.49Å; F82-G137 VanDerWaalsContact CZ-CA 3.46Å; F82-L140 HydrophobicContact CB-CD2 3.79Å; F82-L140 HydrophobicContact CD1-CD2 4.28Å; F82-L140 HydrophobicContact CG-CD2 4.13Å; F82-L173 HydrophobicContact CD1-CD1 4.38Å; F82-L173 HydrophobicContact CE1-CB 3.95Å; F82-L174 HydrophobicContact CE1-CG 4.31Å; F82-L174 HydrophobicContact CZ-CD2 4Å; F82-L174 HydrophobicContact CZ-CG 4.28Å
83	A	79.9	Confident	81.3	Confident	26 Å²	26	56.1 Å²	56.1	22%	0.215	29%	0.293	C	S	.	.	H	α-helix	trans	-61.2	-36.1	175.4	0	0	0	0	0	112.1	I79 E80 N81 K87 L173	I79-A83 WeakPolarHBondContact O-CB 3.43Å; I79-A83 PolarHBondContact O-N 3.12Å; E80-A83 PolarHBondContact O-N 3.12Å; N81-A83 PolarHBondContact O-N 3.5Å; A83-K87 WeakPolarHBondContact O-CB 3.3Å; A83-K87 PolarHBondContact O-N 3.21Å; A83-L173 HydrophobicContact CB-CD1 3.82Å
84	L	84.4	Confident	81.6	Confident	106 Å²	106	57.5 Å²	57.5	56%	0.555	30%	0.298	S	S	*	.	H	α-helix	trans	-65.5	-43.1	172.9	-175.5	65.9	0	0	0	111.5	E80 N81 F82 K87 T88	E80-L84 PolarHBondContact O-N 3.28Å; N81-L84 WeakPolarHBondContact O-CB 3.39Å; N81-L84 PolarHBondContact O-N 2.84Å; F82-L84 VanDerWaalsContact C-N 3.26Å; F82-L84 PolarHBondContact O-N 3.21Å; L84-K87 PolarHBondContact O-N 3.18Å; L84-T88 PolarHBondContact O-N 2.93Å; L84-T88 PolarHBondContact O-OG1 3.39Å
85	T	84.9	Confident	81.9	Confident	44 Å²	44	60.1 Å²	60.1	27%	0.27	30%	0.303	S	S	.	.	H	α-helix	trans	-57.5	-51.8	173.8	-55.6	0	0	0	0	111	N81 F82 K87 T88 T89 A133	N81-T85 PolarHBondContact O-N 3.22Å; N81-T85 PolarHBondContact O-OG1 2.97Å; F82-T85 WeakPolarHBondContact O-CB 3.5Å; F82-T85 PolarHBondContact O-N 2.98Å; F82-T85 VanDerWaalsContact O-N 3.13Å; T85-K87 VanDerWaalsContact C-N 3.29Å; T85-K87 PolarHBondContact O-N 3.43Å; T85-T88 PolarHBondContact O-N 3.36Å; T85-T88 VanDerWaalsContact O-N 3.13Å; T85-T89 PolarHBondContact O-N 3.03Å; T85-T89 PolarHBondContact O-OG1 3.34Å; T85-T89 VanDerWaalsContact O-OG1 3.07Å; T85-A133 HydrophobicContact CG2-CB 3.91Å
86	V	82.4	Confident	82.5	Confident	13 Å²	13	59.3 Å²	59.3	8%	0.079	30%	0.299	C	S	.	.	H	α-helix	trans	-55.6	-44.8	178.5	172.3	0	0	0	0	111.1	F82 T89 A90 L173 L177	F82-V86 HydrophobicContact CD1-CG2 4.35Å; F82-V86 HydrophobicContact CD2-CG2 4.3Å; F82-V86 HydrophobicContact CE1-CG2 3.86Å; F82-V86 HydrophobicContact CE2-CG2 3.77Å; F82-V86 HydrophobicContact CZ-CG2 3.53Å; F82-V86 WeakPolarHBondContact O-CG2 3.31Å; F82-V86 PolarHBondContact O-N 3.18Å; V86-T89 PolarHBondContact O-N 3.35Å; V86-A90 WeakPolarHBondContact O-CB 3.33Å; V86-A90 PolarHBondContact O-N 2.58Å; V86-L173 HydrophobicContact CG1-CD2 4.22Å; V86-L177 HydrophobicContact CG2-CD2 4.37Å
87	K	82.6	Confident	82.8	Confident	126 Å²	126	56.7 Å²	56.7	55%	0.548	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-47.3	177.2	-176.1	-179.1	178.7	-177.6	0	111.9	A83 L84 T85 A90 Q91	A83-K87 WeakPolarHBondContact O-CB 3.3Å; A83-K87 PolarHBondContact O-N 3.21Å; L84-K87 PolarHBondContact O-N 3.18Å; T85-K87 VanDerWaalsContact C-N 3.29Å; T85-K87 PolarHBondContact O-N 3.43Å; K87-A90 PolarHBondContact O-N 3.44Å; K87-Q91 WeakPolarHBondContact O-CG 2.94Å; K87-Q91 PolarHBondContact O-N 3.36Å
88	T	84.9	Confident	82.8	Confident	60 Å²	60	56 Å²	56	37%	0.368	29%	0.293	S	S	.	.	H	α-helix	trans	-64	-43.9	179.9	-56.9	0	0	0	0	111.2	L84 T85 A90 Q91 M92	L84-T88 PolarHBondContact O-N 2.93Å; L84-T88 PolarHBondContact O-OG1 3.39Å; T85-T88 PolarHBondContact O-N 3.36Å; T85-T88 VanDerWaalsContact O-N 3.13Å; T88-A90 PolarHBondContact O-N 3.38Å; T88-Q91 PolarHBondContact O-N 2.77Å; T88-M92 HydrophobicContact CG2-CE 4.32Å; T88-M92 WeakPolarHBondContact O-CG 3.49Å; T88-M92 PolarHBondContact O-N 3.16Å
89	T	82.8	Confident	83.1	Confident	6 Å²	6	57.7 Å²	57.7	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-45.8	176.2	-55.1	0	0	0	0	111.4	T85 V86 Q91 M92 L93 L130 L177	T85-T89 PolarHBondContact O-N 3.03Å; T85-T89 PolarHBondContact O-OG1 3.34Å; T85-T89 VanDerWaalsContact O-OG1 3.07Å; V86-T89 PolarHBondContact O-N 3.35Å; T89-Q91 VanDerWaalsContact C-N 3.34Å; T89-Q91 PolarHBondContact O-N 3.34Å; T89-M92 PolarHBondContact O-N 3.34Å; T89-L93 HydrophobicContact CG2-CD1 4.36Å; T89-L93 WeakPolarHBondContact O-CG 3.41Å; T89-L93 PolarHBondContact O-N 3.2Å; T89-L130 HydrophobicContact CG2-CB 4.1Å; T89-L130 HydrophobicContact CG2-CD1 4.05Å; T89-L130 HydrophobicContact CG2-CG 4.38Å; T89-L177 HydrophobicContact CG2-CD1 4.16Å
90	A	81.4	Confident	83.4	Confident	35 Å²	35	57.7 Å²	57.7	29%	0.289	30%	0.297	S	S	.	.	H	α-helix	trans	-60.3	-41.5	176.5	0	0	0	0	0	112.5	V86 K87 T88 L93 Q94	V86-A90 WeakPolarHBondContact O-CB 3.33Å; V86-A90 PolarHBondContact O-N 2.58Å; K87-A90 PolarHBondContact O-N 3.44Å; T88-A90 PolarHBondContact O-N 3.38Å; A90-L93 PolarHBondContact O-N 3.04Å; A90-Q94 WeakPolarHBondContact O-CB 3.45Å; A90-Q94 PolarHBondContact O-N 3.11Å
91	Q	84.3	Confident	83.2	Confident	104 Å²	104	56.9 Å²	56.9	49%	0.486	31%	0.306	S	S	.	.	H	α-helix	trans	-64.6	-40	176.3	-73.3	177.2	-28.9	0	0	112.7	K87 T88 T89 Q94 R95	K87-Q91 WeakPolarHBondContact O-CG 2.94Å; K87-Q91 PolarHBondContact O-N 3.36Å; T88-Q91 PolarHBondContact O-N 2.77Å; T89-Q91 VanDerWaalsContact C-N 3.34Å; T89-Q91 PolarHBondContact O-N 3.34Å; Q91-Q94 PolarHBondContact O-N 3.11Å; Q91-R95 WeakPolarHBondContact O-CB 3.46Å; Q91-R95 PolarHBondContact O-N 3.35Å
92	M	85.3	Confident	83	Confident	67 Å²	67	60 Å²	60	33%	0.33	32%	0.317	S	S	.	.	H	α-helix	trans	-63.9	-43.2	175.6	-69.4	-171.9	-65.2	0	0	111.7	T88 T89 R95 F96 L126	T88-M92 HydrophobicContact CG2-CE 4.32Å; T88-M92 WeakPolarHBondContact O-CG 3.49Å; T88-M92 PolarHBondContact O-N 3.16Å; T89-M92 PolarHBondContact O-N 3.34Å; M92-R95 PolarHBondContact O-N 3.14Å; M92-F96 WeakPolarHBondContact O-CB 3.3Å; M92-F96 PolarHBondContact O-N 3.03Å; M92-L126 HydrophobicContact CB-CD2 3.76Å
93	L	82.8	Confident	83	Confident	8 Å²	8	61.6 Å²	61.6	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-63.6	-43.7	175.8	-69.3	174.4	0	0	0	112.2	T89 A90 F96 G97 L126 L130 T180 F184	T89-L93 HydrophobicContact CG2-CD1 4.36Å; T89-L93 WeakPolarHBondContact O-CG 3.41Å; T89-L93 PolarHBondContact O-N 3.2Å; A90-L93 PolarHBondContact O-N 3.04Å; L93-F96 PolarHBondContact O-N 2.9Å; L93-G97 PolarHBondContact O-N 2.94Å; L93-L126 HydrophobicContact CD2-CB 4.33Å; L93-L130 HydrophobicContact CD1-CD1 3.64Å; L93-T180 HydrophobicContact CD1-CG2 3.64Å; L93-F184 HydrophobicContact CD2-CB 4.47Å; L93-F184 HydrophobicContact CD2-CD1 3.61Å; L93-F184 HydrophobicContact CD2-CD2 3.89Å; L93-F184 HydrophobicContact CD2-CE1 3.65Å; L93-F184 HydrophobicContact CD2-CE2 3.95Å; L93-F184 HydrophobicContact CD2-CG 3.72Å; L93-F184 HydrophobicContact CD2-CZ 3.82Å
94	Q	82.5	Confident	83.3	Confident	102 Å²	102	67.6 Å²	67.6	48%	0.477	35%	0.351	S	S	.	.	H	α-helix	trans	-62	-45.6	177.8	-175.8	-175.4	1	0	0	111.6	A90 Q91 G97 S98	A90-Q94 WeakPolarHBondContact O-CB 3.45Å; A90-Q94 PolarHBondContact O-N 3.11Å; Q91-Q94 PolarHBondContact O-N 3.11Å; Q94-G97 PolarHBondContact O-N 3.02Å; Q94-S98 PolarHBondContact O-N 2.94Å; Q94-S98 PolarHBondContact O-OG 3.08Å
95	R	84.6	Confident	83.4	Confident	176 Å²	176	65 Å²	65	66%	0.664	34%	0.338	S	S	*	.	H	α-helix	trans	-60.4	-49.4	177.1	178.5	-179.6	171	163.9	4.6	111	Q91 M92 G97 S98 E99	Q91-R95 WeakPolarHBondContact O-CB 3.46Å; Q91-R95 PolarHBondContact O-N 3.35Å; M92-R95 PolarHBondContact O-N 3.14Å; R95-G97 PolarHBondContact O-N 3.27Å; R95-S98 WeakPolarHBondContact O-CB 3.38Å; R95-S98 PolarHBondContact O-N 3.08Å; R95-E99 IonicContact CZ-OE1 3.65Å; R95-E99 IonicContact NE-OE1 3.51Å; R95-E99 PolarHBondContact NE-OE1 3.43Å; R95-E99 IonicContact NH2-OE1 2.64Å; R95-E99 WeakPolarHBondContact O-CG 3.39Å; R95-E99 PolarHBondContact O-N 3.46Å
96	F	86.9	Confident	83.6	Confident	7 Å²	7	64.1 Å²	64.1	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-64.4	-41.5	179.2	-178.3	-121.7	0	0	0	111.8	M92 L93 S98 E99 L100 K122 L126 F184 W188	M92-F96 WeakPolarHBondContact O-CB 3.3Å; M92-F96 PolarHBondContact O-N 3.03Å; L93-F96 PolarHBondContact O-N 2.9Å; F96-S98 VanDerWaalsContact C-N 3.26Å; F96-S98 PolarHBondContact O-N 2.93Å; F96-E99 WeakPolarHBondContact O-CB 3.48Å; F96-E99 PolarHBondContact O-N 3.13Å; F96-L100 HydrophobicContact CD1-CD1 3.95Å; F96-L100 HydrophobicContact CD1-CG 4.37Å; F96-L100 HydrophobicContact CD2-CD2 4.39Å; F96-L100 HydrophobicContact CD2-CG 4.27Å; F96-L100 HydrophobicContact CE1-CD1 3.52Å; F96-L100 HydrophobicContact CE1-CD2 4.33Å; F96-L100 HydrophobicContact CE1-CG 4.1Å; F96-L100 HydrophobicContact CE2-CD1 4.29Å; F96-L100 HydrophobicContact CE2-CD2 3.67Å; F96-L100 HydrophobicContact CE2-CG 3.97Å; F96-L100 HydrophobicContact CG-CG 4.47Å; F96-L100 HydrophobicContact CZ-CD1 3.72Å; F96-L100 HydrophobicContact CZ-CD2 3.67Å; F96-L100 HydrophobicContact CZ-CG 3.91Å; F96-L100 VanDerWaalsContact O-CG 3.29Å; F96-L100 WeakPolarHBondContact O-CG 3.5Å; F96-L100 PolarHBondContact O-N 2.9Å; F96-K122 HydrophobicContact CD2-CB 4.18Å; F96-K122 HydrophobicContact CD2-CD 4.08Å; F96-K122 HydrophobicContact CE2-CB 3.54Å; F96-K122 HydrophobicContact CE2-CD 3.71Å; F96-K122 HydrophobicContact CE2-CG 4.29Å; F96-K122 HydrophobicContact CZ-CB 3.82Å; F96-L126 HydrophobicContact CB-CD1 3.57Å; F96-L126 HydrophobicContact CD1-CD1 3.33Å; F96-L126 HydrophobicContact CD2-CD1 4.33Å; F96-L126 HydrophobicContact CE1-CD1 4.03Å; F96-L126 HydrophobicContact CG-CD1 3.49Å; F96-L126 VanDerWaalsContact CG-CD1 3.49Å; F96-F184 AromaticContact CD1-CE2 3.62Å; F96-F184 HydrophobicContact CD1-CE2 3.62Å; F96-F184 AromaticContact CD1-CZ 3.45Å; F96-F184 HydrophobicContact CD1-CZ 3.45Å; F96-F184 VanDerWaalsContact CD1-CZ 3.45Å; F96-F184 HydrophobicContact CE1-CE2 4.12Å; F96-F184 AromaticContact CE1-CZ 3.67Å; F96-F184 HydrophobicContact CE1-CZ 3.67Å; F96-W188 HydrophobicContact CE1-CE3 4.29Å; F96-W188 HydrophobicContact CE1-CZ3 4.27Å; F96-W188 HydrophobicContact CZ-CZ3 4.04Å
97	G	83.6	Confident	83.9	Confident	18 Å²	18	69.8 Å²	69.8	19%	0.186	36%	0.363	C	S	.	.	H	α-helix	trans	-57.8	-38.4	173.4	0	0	0	0	0	113.1	L93 Q94 R95 L100 A101	L93-G97 PolarHBondContact O-N 2.94Å; Q94-G97 PolarHBondContact O-N 3.02Å; R95-G97 PolarHBondContact O-N 3.27Å; G97-L100 PolarHBondContact O-N 3.27Å; G97-A101 WeakPolarHBondContact O-CB 3.49Å; G97-A101 PolarHBondContact O-N 3.37Å
98	S	80.7	Confident	84.3	Confident	52 Å²	52	67.1 Å²	67.1	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-67.5	-45.7	174.7	-51.4	0	0	0	0	111.4	Q94 R95 F96 L100 A101 E102	Q94-S98 PolarHBondContact O-N 2.94Å; Q94-S98 PolarHBondContact O-OG 3.08Å; R95-S98 WeakPolarHBondContact O-CB 3.38Å; R95-S98 PolarHBondContact O-N 3.08Å; F96-S98 VanDerWaalsContact C-N 3.26Å; F96-S98 PolarHBondContact O-N 2.93Å; S98-L100 VanDerWaalsContact C-N 3.3Å; S98-L100 PolarHBondContact O-N 3.19Å; S98-A101 PolarHBondContact O-N 3.34Å; S98-E102 WeakPolarHBondContact O-CB 3.49Å; S98-E102 WeakPolarHBondContact O-CG 3.47Å; S98-E102 PolarHBondContact O-N 3.32Å
99	E	85	Confident	84.7	Confident	60 Å²	60	65.2 Å²	65.2	28%	0.28	34%	0.342	S	S	.	.	H	α-helix	trans	-55.3	-46.1	174.1	-71.2	175.7	-164.5	0	0	110.7	R95 F96 A101 E102 T103 K122	R95-E99 IonicContact CZ-OE1 3.65Å; R95-E99 IonicContact NE-OE1 3.51Å; R95-E99 PolarHBondContact NE-OE1 3.43Å; R95-E99 IonicContact NH2-OE1 2.64Å; R95-E99 WeakPolarHBondContact O-CG 3.39Å; R95-E99 PolarHBondContact O-N 3.46Å; F96-E99 WeakPolarHBondContact O-CB 3.48Å; F96-E99 PolarHBondContact O-N 3.13Å; E99-A101 PolarHBondContact O-N 2.91Å; E99-E102 PolarHBondContact O-N 3.46Å; E99-T103 PolarHBondContact O-N 3.44Å; E99-T103 VanDerWaalsContact O-N 3.08Å; E99-T103 PolarHBondContact O-OG1 3.31Å; E99-K122 IonicContact OE2-NZ 3.78Å; E99-K122 PolarHBondContact OE2-NZ 3.45Å
100	L	83.5	Confident	85.2	Confident	3 Å²	3	70 Å²	70	2%	0.016	36%	0.364	C	S	.	.	H	α-helix	trans	-64.2	-39.9	178.5	-64.7	-176.8	0	0	0	112.6	F96 G97 S98 H119 F187 W188 H191	F96-L100 HydrophobicContact CD1-CD1 3.95Å; F96-L100 HydrophobicContact CD1-CG 4.37Å; F96-L100 HydrophobicContact CD2-CD2 4.39Å; F96-L100 HydrophobicContact CD2-CG 4.27Å; F96-L100 HydrophobicContact CE1-CD1 3.52Å; F96-L100 HydrophobicContact CE1-CD2 4.33Å; F96-L100 HydrophobicContact CE1-CG 4.1Å; F96-L100 HydrophobicContact CE2-CD1 4.29Å; F96-L100 HydrophobicContact CE2-CD2 3.67Å; F96-L100 HydrophobicContact CE2-CG 3.97Å; F96-L100 HydrophobicContact CG-CG 4.47Å; F96-L100 HydrophobicContact CZ-CD1 3.72Å; F96-L100 HydrophobicContact CZ-CD2 3.67Å; F96-L100 HydrophobicContact CZ-CG 3.91Å; F96-L100 VanDerWaalsContact O-CG 3.29Å; F96-L100 WeakPolarHBondContact O-CG 3.5Å; F96-L100 PolarHBondContact O-N 2.9Å; G97-L100 PolarHBondContact O-N 3.27Å; S98-L100 VanDerWaalsContact C-N 3.3Å; S98-L100 PolarHBondContact O-N 3.19Å; L100-H119 HydrophobicContact CD2-CB 4.25Å; L100-H119 WeakPolarHBondContact CD2-CE1 3.38Å; L100-H119 VanDerWaalsContact CD2-ND1 3.3Å; L100-H119 WeakPolarHBondContact CD2-ND1 3.44Å; L100-F187 HydrophobicContact CB-CE1 3.78Å; L100-F187 HydrophobicContact CB-CZ 4.07Å; L100-F187 HydrophobicContact CD1-CD1 4.29Å; L100-F187 HydrophobicContact CD1-CE1 3.65Å; L100-F187 HydrophobicContact CG-CE1 4.34Å; L100-W188 HydrophobicContact CD1-CE3 3.88Å; L100-W188 HydrophobicContact CD1-CZ3 4.06Å; L100-W188 HydrophobicContact CD2-CZ3 4.41Å; L100-H191 WeakPolarHBondContact CD2-NE2 3.48Å; L100-H191 PolarHBondContact O-CE1 3.24Å; L100-H191 VanDerWaalsContact O-CE1 3.25Å
101	A	76.6	Confident	85.8	Confident	76 Å²	76	70.8 Å²	70.8	63%	0.628	37%	0.368	S	S	*	.	H	α-helix	trans	-70.6	-33.8	-179.8	0	0	0	0	0	113.1	G97 S98 E99	G97-A101 WeakPolarHBondContact O-CB 3.49Å; G97-A101 PolarHBondContact O-N 3.37Å; S98-A101 PolarHBondContact O-N 3.34Å; E99-A101 PolarHBondContact O-N 2.91Å
102	E	81.1	Confident	86.2	Confident	162 Å²	162	65.8 Å²	65.8	76%	0.757	35%	0.345	S	S	*	.	H	α-helix	trans	-86.2	-11.6	179.3	-67.5	178.3	179	0	0	113.3	S98 E99 E104	S98-E102 WeakPolarHBondContact O-CB 3.49Å; S98-E102 WeakPolarHBondContact O-CG 3.47Å; S98-E102 PolarHBondContact O-N 3.32Å; E99-E102 PolarHBondContact O-N 3.46Å; E102-E104 PolarHBondContact O-N 3.38Å
103	T	83.8	Confident	86.7	Confident	42 Å²	42	66.7 Å²	66.7	26%	0.258	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-67.9	118.4	-178.1	-62.6	0	0	0	0	111.6	E99 L115	E99-T103 PolarHBondContact O-N 3.44Å; E99-T103 VanDerWaalsContact O-N 3.08Å; E99-T103 PolarHBondContact O-OG1 3.31Å; T103-L115 HydrophobicContact CG2-CD1 4.09Å; T103-L115 HydrophobicContact CG2-CD2 3.69Å; T103-L115 HydrophobicContact CG2-CG 4.44Å
104	E	84.6	Confident	87.2	Confident	153 Å²	153	70.5 Å²	70.5	72%	0.715	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-73.6	138.9	168.7	-64.9	-174.4	173.9	0	0	110.8	E102	E102-E104 PolarHBondContact O-N 3.38Å
105	L	87.3	Confident	87.7	Confident	51 Å²	51	66.9 Å²	66.9	27%	0.267	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-72.2	128.5	180	-69	177.1	0	0	0	110.7	L195 C198 Y272	L105-L195 HydrophobicContact CD2-CD1 3.63Å; L105-C198 HydrophobicContact CD1-CB 4.28Å; L105-C198 HydrophobicContact CD2-CB 4.15Å; L105-Y272 HydrophobicContact CD1-CE2 4.41Å
106	P	88.7	Confident	88.2	Confident	26 Å²	26	59.8 Å²	59.8	17%	0.169	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-66.4	154.9	179.5	-19.8	32	0	0	0	113	L115	P106-L115 HydrophobicContact CG-CB 4.36Å; P106-L115 HydrophobicContact CG-CD2 3.64Å
107	N	89.1	Confident	88.6	Confident	132 Å²	132	62.6 Å²	62.6	71%	0.706	35%	0.35	S	S	*	.	S	Bend	trans	-95.6	-4.9	-176.7	-73.9	-37.5	0	0	0	114.5	R202	N107-R202 VanDerWaalsContact O-CD 3.22Å; N107-R202 WeakPolarHBondContact O-CD 3.25Å; N107-R202 PolarHBondContact O-NH1 2.95Å
108	D	90.3	Very high	89.1	Confident	70 Å²	70	66.4 Å²	66.4	37%	0.374	36%	0.363	S	S	.	.	S	Bend	trans	-126.3	160	-179.8	73.5	92.4	0	0	0	112.9	Q110 S111 T112	D108-Q110 PolarHBondContact OD1-N 3.26Å; D108-S111 WeakPolarHBondContact OD1-CB 3.36Å; D108-S111 PolarHBondContact OD1-N 3.41Å; D108-S111 PolarHBondContact OD1-OG 3.34Å; D108-S111 VanDerWaalsContact OD1-OG 3.07Å; D108-S111 WeakPolarHBondContact OD2-CB 3.37Å; D108-S111 PolarHBondContact OD2-OG 3.47Å; D108-T112 WeakPolarHBondContact O-CB 3.37Å; D108-T112 PolarHBondContact O-N 3.02Å; D108-T112 PolarHBondContact O-OG1 3.46Å
109	V	93.9	Very high	89.8	Confident	19 Å²	19	64.1 Å²	64.1	12%	0.115	35%	0.347	C	S	.	.	H	α-helix	trans	-64	-43.5	-175.8	170.2	0	0	0	0	112	T112 K113 L199 R202 H203 Q206	V109-T112 PolarHBondContact O-N 3Å; V109-K113 HydrophobicContact CG1-CD 4.15Å; V109-K113 WeakPolarHBondContact O-CG 3.49Å; V109-K113 PolarHBondContact O-N 2.9Å; V109-L199 HydrophobicContact CG1-CD1 4.16Å; V109-R202 HydrophobicContact CG2-CB 3.66Å; V109-H203 VanDerWaalsContact CG1-CE1 3.4Å; V109-H203 WeakPolarHBondContact CG1-CE1 3.4Å; V109-H203 WeakPolarHBondContact CG1-NE2 3.34Å; V109-Q206 VanDerWaalsContact CG2-OE1 3.3Å
110	Q	93.9	Very high	90.2	Very high	106 Å²	106	63.5 Å²	63.5	50%	0.495	35%	0.347	S	S	.	.	H	α-helix	trans	-70.6	-50.1	-172.4	-174.6	56	47.6	0	0	110.5	D108 T112 K113 D114	D108-Q110 PolarHBondContact OD1-N 3.26Å; Q110-T112 VanDerWaalsContact C-N 3.25Å; Q110-T112 PolarHBondContact O-N 3.38Å; Q110-K113 WeakPolarHBondContact O-CB 3.32Å; Q110-K113 PolarHBondContact O-N 2.91Å; Q110-K113 VanDerWaalsContact O-N 3.07Å; Q110-D114 VanDerWaalsContact NE2-CG 3.26Å; Q110-D114 PolarHBondContact NE2-OD1 2.89Å; Q110-D114 PolarHBondContact NE2-OD2 3.31Å; Q110-D114 VanDerWaalsContact O-CG 3.31Å; Q110-D114 PolarHBondContact O-N 2.93Å
111	S	93.6	Very high	90.7	Very high	52 Å²	52	64.9 Å²	64.9	36%	0.364	36%	0.362	S	S	.	.	H	α-helix	trans	-59.8	-36.7	176.6	-53.4	0	0	0	0	112.1	D108 L115	D108-S111 WeakPolarHBondContact OD1-CB 3.36Å; D108-S111 PolarHBondContact OD1-N 3.41Å; D108-S111 PolarHBondContact OD1-OG 3.34Å; D108-S111 VanDerWaalsContact OD1-OG 3.07Å; D108-S111 WeakPolarHBondContact OD2-CB 3.37Å; D108-S111 PolarHBondContact OD2-OG 3.47Å; S111-L115 VanDerWaalsContact O-CB 3.26Å; S111-L115 WeakPolarHBondContact O-CB 3.46Å; S111-L115 PolarHBondContact O-N 3.43Å
112	T	93.1	Very high	91.5	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-67.8	-39	176.2	-51.3	0	0	0	0	111.7	D108 V109 Q110 L116 C198 L199	D108-T112 WeakPolarHBondContact O-CB 3.37Å; D108-T112 PolarHBondContact O-N 3.02Å; D108-T112 PolarHBondContact O-OG1 3.46Å; V109-T112 PolarHBondContact O-N 3Å; Q110-T112 VanDerWaalsContact C-N 3.25Å; Q110-T112 PolarHBondContact O-N 3.38Å; T112-L116 WeakPolarHBondContact O-CB 3.45Å; T112-L116 PolarHBondContact O-N 3.01Å; T112-C198 HydrophobicContact CG2-CB 4.23Å; T112-L199 HydrophobicContact CG2-CB 3.85Å; T112-L199 HydrophobicContact CG2-CD1 4.31Å
113	K	94.4	Very high	92.1	Very high	86 Å²	86	57.6 Å²	57.6	37%	0.374	31%	0.313	S	S	.	.	H	α-helix	trans	-64.6	-45.3	174.6	-76.9	179.7	-180	179.7	0	111.9	V109 Q110 L115 L116 A117 L199 H203	V109-K113 HydrophobicContact CG1-CD 4.15Å; V109-K113 WeakPolarHBondContact O-CG 3.49Å; V109-K113 PolarHBondContact O-N 2.9Å; Q110-K113 WeakPolarHBondContact O-CB 3.32Å; Q110-K113 PolarHBondContact O-N 2.91Å; Q110-K113 VanDerWaalsContact O-N 3.07Å; K113-L115 VanDerWaalsContact C-N 3.35Å; K113-L116 PolarHBondContact O-N 3.43Å; K113-A117 WeakPolarHBondContact O-CB 3.37Å; K113-A117 PolarHBondContact O-N 3.23Å; K113-L199 HydrophobicContact CD-CD1 4.42Å; K113-L199 HydrophobicContact CG-CD1 3.59Å; K113-L199 HydrophobicContact CG-CD2 3.82Å; K113-L199 HydrophobicContact CG-CG 4.38Å; K113-H203 VanDerWaalsContact CE-NE2 3.28Å; K113-H203 WeakPolarHBondContact CE-NE2 3.23Å; K113-H203 PolarHBondContact NZ-NE2 3.16Å
114	D	94.4	Very high	92.5	Very high	87 Å²	87	58.2 Å²	58.2	47%	0.465	32%	0.319	S	S	.	.	H	α-helix	trans	-64.1	-43.5	-179.3	-66	-26.5	0	0	0	110.5	Q110 L116 A117 E118	Q110-D114 VanDerWaalsContact NE2-CG 3.26Å; Q110-D114 PolarHBondContact NE2-OD1 2.89Å; Q110-D114 PolarHBondContact NE2-OD2 3.31Å; Q110-D114 VanDerWaalsContact O-CG 3.31Å; Q110-D114 PolarHBondContact O-N 2.93Å; D114-L116 PolarHBondContact O-N 2.93Å; D114-A117 PolarHBondContact O-N 2.91Å; D114-E118 WeakPolarHBondContact O-CB 3.4Å; D114-E118 PolarHBondContact O-N 2.89Å
115	L	93.8	Very high	92.8	Very high	26 Å²	26	56.4 Å²	56.4	14%	0.136	32%	0.315	C	S	.	.	H	α-helix	trans	-62.4	-42.2	174.7	-173.3	68.3	0	0	0	112.4	T103 P106 S111 K113 E118 H119 L195	T103-L115 HydrophobicContact CG2-CD1 4.09Å; T103-L115 HydrophobicContact CG2-CD2 3.69Å; T103-L115 HydrophobicContact CG2-CG 4.44Å; P106-L115 HydrophobicContact CG-CB 4.36Å; P106-L115 HydrophobicContact CG-CD2 3.64Å; S111-L115 VanDerWaalsContact O-CB 3.26Å; S111-L115 WeakPolarHBondContact O-CB 3.46Å; S111-L115 PolarHBondContact O-N 3.43Å; K113-L115 VanDerWaalsContact C-N 3.35Å; L115-E118 PolarHBondContact O-N 3.47Å; L115-H119 WeakPolarHBondContact O-CB 3.37Å; L115-H119 PolarHBondContact O-N 2.89Å; L115-L195 HydrophobicContact CD2-CD1 4.08Å; L115-L195 HydrophobicContact CD2-CD2 4.43Å; L115-L195 HydrophobicContact CG-CD2 4.27Å
116	L	94.6	Very high	92.9	Very high	27 Å²	27	55 Å²	55	14%	0.141	31%	0.308	C	S	.	.	H	α-helix	trans	-61	-45.4	176	-176.2	66	0	0	0	111.4	T112 K113 D114 T120 L195 E196 L199	T112-L116 WeakPolarHBondContact O-CB 3.45Å; T112-L116 PolarHBondContact O-N 3.01Å; K113-L116 PolarHBondContact O-N 3.43Å; D114-L116 PolarHBondContact O-N 2.93Å; L116-T120 WeakPolarHBondContact O-CB 3.38Å; L116-T120 PolarHBondContact O-N 3.39Å; L116-T120 PolarHBondContact O-OG1 3.4Å; L116-L195 HydrophobicContact CB-CD2 3.73Å; L116-L195 HydrophobicContact CD1-CB 4.11Å; L116-L195 HydrophobicContact CD1-CD2 3.64Å; L116-L195 HydrophobicContact CD1-CG 4.43Å; L116-L195 HydrophobicContact CG-CD2 4.3Å; L116-E196 HydrophobicContact CD1-CG 4.23Å; L116-E196 HydrophobicContact CD2-CG 4.38Å; L116-L199 HydrophobicContact CD2-CD2 4.1Å
117	A	95.1	Very high	93	Very high	66 Å²	66	56.3 Å²	56.3	55%	0.545	31%	0.311	S	S	.	.	H	α-helix	trans	-65	-44.7	177.9	0	0	0	0	0	111.6	K113 D114 T120 G121	K113-A117 WeakPolarHBondContact O-CB 3.37Å; K113-A117 PolarHBondContact O-N 3.23Å; D114-A117 PolarHBondContact O-N 2.91Å; A117-T120 PolarHBondContact O-N 3.04Å; A117-G121 PolarHBondContact O-N 3.16Å
118	E	94.4	Very high	93	Very high	99 Å²	99	54.3 Å²	54.3	46%	0.463	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-52.3	177.6	-175.4	-174.4	161.8	0	0	111.3	D114 L115 T120 G121 K122	D114-E118 WeakPolarHBondContact O-CB 3.4Å; D114-E118 PolarHBondContact O-N 2.89Å; L115-E118 PolarHBondContact O-N 3.47Å; E118-T120 VanDerWaalsContact C-N 3.35Å; E118-T120 PolarHBondContact O-N 3.43Å; E118-G121 PolarHBondContact O-N 3.28Å; E118-K122 HydrophobicContact CG-CD 4.42Å; E118-K122 WeakPolarHBondContact O-CG 3.4Å; E118-K122 PolarHBondContact O-N 2.89Å; E118-K122 WeakPolarHBondContact OE1-CE 3.42Å; E118-K122 IonicContact OE1-NZ 3.84Å; E118-K122 PolarHBondContact OE1-NZ 3.38Å
119	H	94.1	Very high	92.9	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.019	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-42.7	179.6	-75.4	-175.4	0	0	0	111.8	L100 L115 G121 K122 Y123 W188 H191	L100-H119 HydrophobicContact CD2-CB 4.25Å; L100-H119 WeakPolarHBondContact CD2-CE1 3.38Å; L100-H119 VanDerWaalsContact CD2-ND1 3.3Å; L100-H119 WeakPolarHBondContact CD2-ND1 3.44Å; L115-H119 WeakPolarHBondContact O-CB 3.37Å; L115-H119 PolarHBondContact O-N 2.89Å; H119-G121 VanDerWaalsContact C-N 3.32Å; H119-G121 PolarHBondContact O-N 3.39Å; H119-K122 PolarHBondContact O-N 3.01Å; H119-Y123 VanDerWaalsContact O-CB 3.29Å; H119-Y123 WeakPolarHBondContact O-CB 3.41Å; H119-Y123 PolarHBondContact O-N 3.16Å; H119-W188 VanDerWaalsContact C-CH2 3.45Å; H119-W188 HydrophobicContact CB-CH2 3.85Å; H119-W188 HydrophobicContact CB-CZ3 4Å; H119-W188 WeakPolarHBondContact O-CH2 3.49Å; H119-H191 AromaticContact CE1-NE2 3.83Å; H119-H191 AromaticContact ND1-NE2 3.45Å; H119-H191 PolarHBondContact ND1-NE2 3.11Å
120	T	94.3	Very high	92.6	Very high	46 Å²	46	54.9 Å²	54.9	28%	0.282	30%	0.296	S	S	.	.	H	α-helix	trans	-65.5	-37.6	179	-57	0	0	0	0	111.5	L116 A117 E118 S124	L116-T120 WeakPolarHBondContact O-CB 3.38Å; L116-T120 PolarHBondContact O-N 3.39Å; L116-T120 PolarHBondContact O-OG1 3.4Å; A117-T120 PolarHBondContact O-N 3.04Å; E118-T120 VanDerWaalsContact C-N 3.35Å; E118-T120 PolarHBondContact O-N 3.43Å; T120-S124 WeakPolarHBondContact O-CB 3.45Å; T120-S124 PolarHBondContact O-N 3.21Å; T120-S124 PolarHBondContact O-OG 2.88Å
121	G	94.4	Very high	92.3	Very high	32 Å²	32	53.1 Å²	53.1	33%	0.33	29%	0.287	S	S	.	.	H	α-helix	trans	-64.3	-49.6	173.5	0	0	0	0	0	112.5	A117 E118 H119 Y123 S124 N125	A117-G121 PolarHBondContact O-N 3.16Å; E118-G121 PolarHBondContact O-N 3.28Å; H119-G121 VanDerWaalsContact C-N 3.32Å; H119-G121 PolarHBondContact O-N 3.39Å; G121-Y123 PolarHBondContact O-N 2.91Å; G121-S124 PolarHBondContact O-N 3.17Å; G121-N125 PolarHBondContact O-N 3.44Å; G121-N125 PolarHBondContact O-ND2 3.34Å
122	K	92.4	Very high	92.1	Very high	69 Å²	69	54.3 Å²	54.3	30%	0.3	29%	0.289	S	S	.	.	H	α-helix	trans	-58.6	-46.4	176.3	-74	179.9	-177.2	172.5	0	111.8	F96 E99 E118 H119 S124 N125 L126	F96-K122 HydrophobicContact CD2-CB 4.18Å; F96-K122 HydrophobicContact CD2-CD 4.08Å; F96-K122 HydrophobicContact CE2-CB 3.54Å; F96-K122 HydrophobicContact CE2-CD 3.71Å; F96-K122 HydrophobicContact CE2-CG 4.29Å; F96-K122 HydrophobicContact CZ-CB 3.82Å; E99-K122 IonicContact OE2-NZ 3.78Å; E99-K122 PolarHBondContact OE2-NZ 3.45Å; E118-K122 HydrophobicContact CG-CD 4.42Å; E118-K122 WeakPolarHBondContact O-CG 3.4Å; E118-K122 PolarHBondContact O-N 2.89Å; E118-K122 WeakPolarHBondContact OE1-CE 3.42Å; E118-K122 IonicContact OE1-NZ 3.84Å; E118-K122 PolarHBondContact OE1-NZ 3.38Å; H119-K122 PolarHBondContact O-N 3.01Å; K122-S124 PolarHBondContact O-N 3.15Å; K122-N125 PolarHBondContact O-N 3.12Å; K122-L126 WeakPolarHBondContact O-CG 3.44Å; K122-L126 PolarHBondContact O-N 3.38Å
123	Y	93	Very high	91.8	Very high	16 Å²	16	54.3 Å²	54.3	6%	0.063	29%	0.289	C	S	.	.	H	α-helix	trans	-59.2	-46	176	166.6	-95	0	0	0	112	H119 G121 N125 L126 K127 F184 E185 W188	H119-Y123 VanDerWaalsContact O-CB 3.29Å; H119-Y123 WeakPolarHBondContact O-CB 3.41Å; H119-Y123 PolarHBondContact O-N 3.16Å; G121-Y123 PolarHBondContact O-N 2.91Å; Y123-N125 VanDerWaalsContact C-N 3.32Å; Y123-N125 PolarHBondContact O-N 3.08Å; Y123-L126 PolarHBondContact O-N 3.11Å; Y123-K127 HydrophobicContact CE1-CD 4.03Å; Y123-K127 WeakPolarHBondContact O-CB 3.29Å; Y123-K127 PolarHBondContact O-N 3.03Å; Y123-K127 WeakPolarHBondContact OH-CD 3.49Å; Y123-K127 PolarHBondContact OH-NZ 2.92Å; Y123-F184 HydrophobicContact CD2-CD1 4.45Å; Y123-F184 AromaticContact CD2-CE1 3.46Å; Y123-F184 HydrophobicContact CD2-CE1 3.46Å; Y123-F184 VanDerWaalsContact CD2-CE1 3.46Å; Y123-F184 AromaticContact CD2-CZ 3.81Å; Y123-F184 HydrophobicContact CD2-CZ 3.81Å; Y123-F184 HydrophobicContact CE2-CD1 4.23Å; Y123-F184 AromaticContact CE2-CE1 3.63Å; Y123-F184 HydrophobicContact CE2-CE1 3.63Å; Y123-F184 HydrophobicContact CE2-CZ 4.38Å; Y123-E185 PolarHBondContact OH-OE1 3.38Å; Y123-E185 PolarHBondContact OH-OE2 2.78Å; Y123-W188 HydrophobicContact CD1-CD2 4.18Å; Y123-W188 AromaticContact CD1-CE2 3.61Å; Y123-W188 HydrophobicContact CD1-CG 4.43Å; Y123-W188 AromaticContact CD1-CZ2 3.95Å; Y123-W188 HydrophobicContact CD1-CZ2 3.95Å; Y123-W188 AromaticContact CD1-NE1 3.51Å; Y123-W188 HydrophobicContact CD2-CB 3.93Å; Y123-W188 AromaticContact CD2-CD1 3.66Å; Y123-W188 AromaticContact CD2-CD2 3.38Å; Y123-W188 HydrophobicContact CD2-CD2 3.38Å; Y123-W188 AromaticContact CD2-CE2 3.73Å; Y123-W188 AromaticContact CD2-CE3 3.91Å; Y123-W188 HydrophobicContact CD2-CE3 3.91Å; Y123-W188 AromaticContact CD2-CG 3.36Å; Y123-W188 HydrophobicContact CD2-CG 3.36Å; Y123-W188 AromaticContact CD2-NE1 3.85Å; Y123-W188 AromaticContact CE1-CD1 3.73Å; Y123-W188 HydrophobicContact CE1-CG 4.4Å; Y123-W188 AromaticContact CE1-NE1 3.47Å; Y123-W188 HydrophobicContact CE2-CB 3.73Å; Y123-W188 AromaticContact CE2-CD1 3.31Å; Y123-W188 AromaticContact CE2-CD2 3.89Å; Y123-W188 HydrophobicContact CE2-CD2 3.89Å; Y123-W188 AromaticContact CE2-CG 3.33Å; Y123-W188 HydrophobicContact CE2-CG 3.33Å; Y123-W188 AromaticContact CE2-NE1 3.83Å; Y123-W188 AromaticContact CG-CD2 3.55Å; Y123-W188 HydrophobicContact CG-CD2 3.55Å; Y123-W188 AromaticContact CG-CE2 3.42Å; Y123-W188 VanDerWaalsContact CG-CE2 3.42Å; Y123-W188 HydrophobicContact CG-CE3 4.03Å; Y123-W188 AromaticContact CG-CG 3.94Å; Y123-W188 HydrophobicContact CG-CG 3.94Å; Y123-W188 HydrophobicContact CG-CH2 4.28Å; Y123-W188 AromaticContact CG-CZ2 3.82Å; Y123-W188 HydrophobicContact CG-CZ2 3.82Å; Y123-W188 HydrophobicContact CG-CZ3 4.37Å; Y123-W188 AromaticContact CG-NE1 3.69Å; Y123-W188 AromaticContact CZ-CD1 3.34Å; Y123-W188 AromaticContact CZ-CG 3.87Å; Y123-W188 AromaticContact CZ-NE1 3.63Å
124	S	92.5	Very high	91.3	Very high	55 Å²	55	51.7 Å²	51.7	39%	0.385	28%	0.279	S	S	.	.	H	α-helix	trans	-60.8	-42.5	179.5	-60.7	0	0	0	0	111.8	T120 G121 K122 K127 E128	T120-S124 WeakPolarHBondContact O-CB 3.45Å; T120-S124 PolarHBondContact O-N 3.21Å; T120-S124 PolarHBondContact O-OG 2.88Å; G121-S124 PolarHBondContact O-N 3.17Å; K122-S124 PolarHBondContact O-N 3.15Å; S124-K127 PolarHBondContact O-N 3.21Å; S124-E128 PolarHBondContact O-N 3.31Å; S124-E128 VanDerWaalsContact O-N 3.12Å
125	N	91.3	Very high	90.9	Very high	115 Å²	115	55.1 Å²	55.1	62%	0.615	29%	0.285	S	S	*	.	H	α-helix	trans	-62.8	-47.3	175.7	-67.4	-19	0	0	0	111.5	G121 K122 Y123 K127 E128 E129	G121-N125 PolarHBondContact O-N 3.44Å; G121-N125 PolarHBondContact O-ND2 3.34Å; K122-N125 PolarHBondContact O-N 3.12Å; Y123-N125 VanDerWaalsContact C-N 3.32Å; Y123-N125 PolarHBondContact O-N 3.08Å; N125-K127 VanDerWaalsContact C-N 3.32Å; N125-K127 PolarHBondContact O-N 3.46Å; N125-E128 PolarHBondContact O-N 3.26Å; N125-E129 PolarHBondContact O-N 2.93Å
126	L	90.4	Very high	90.5	Very high	23 Å²	23	58.5 Å²	58.5	12%	0.12	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-37.5	178.4	-73.7	169	0	0	0	112.6	M92 L93 F96 K122 Y123 E128 E129 L130 F184	M92-L126 HydrophobicContact CB-CD2 3.76Å; L93-L126 HydrophobicContact CD2-CB 4.33Å; F96-L126 HydrophobicContact CB-CD1 3.57Å; F96-L126 HydrophobicContact CD1-CD1 3.33Å; F96-L126 HydrophobicContact CD2-CD1 4.33Å; F96-L126 HydrophobicContact CE1-CD1 4.03Å; F96-L126 HydrophobicContact CG-CD1 3.49Å; F96-L126 VanDerWaalsContact CG-CD1 3.49Å; K122-L126 WeakPolarHBondContact O-CG 3.44Å; K122-L126 PolarHBondContact O-N 3.38Å; Y123-L126 PolarHBondContact O-N 3.11Å; L126-E128 VanDerWaalsContact C-N 3.35Å; L126-E129 PolarHBondContact O-N 2.89Å; L126-L130 WeakPolarHBondContact O-CB 3.39Å; L126-L130 PolarHBondContact O-N 3.2Å; L126-F184 HydrophobicContact CD1-CZ 4.41Å
127	K	89.5	Confident	90	Very high	53 Å²	53	57.4 Å²	57.4	23%	0.23	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-40.9	176.1	-169.9	172.6	-160	158.3	0	111.6	Y123 S124 N125 L130 K131 E185	Y123-K127 HydrophobicContact CE1-CD 4.03Å; Y123-K127 WeakPolarHBondContact O-CB 3.29Å; Y123-K127 PolarHBondContact O-N 3.03Å; Y123-K127 WeakPolarHBondContact OH-CD 3.49Å; Y123-K127 PolarHBondContact OH-NZ 2.92Å; S124-K127 PolarHBondContact O-N 3.21Å; N125-K127 VanDerWaalsContact C-N 3.32Å; N125-K127 PolarHBondContact O-N 3.46Å; K127-L130 PolarHBondContact O-N 3.08Å; K127-K131 WeakPolarHBondContact O-CG 3.43Å; K127-K131 PolarHBondContact O-N 2.9Å; K127-E185 IonicContact NZ-OE1 3.03Å; K127-E185 PolarHBondContact NZ-OE1 2.81Å; K127-E185 IonicContact NZ-OE2 2.78Å; K127-E185 PolarHBondContact NZ-OE2 3.06Å
128	E	89.9	Confident	89.4	Confident	90 Å²	90	57.1 Å²	57.1	42%	0.421	29%	0.29	S	S	.	.	H	α-helix	trans	-67.5	-42.9	175.2	-70.3	-56.3	124.7	0	0	112.1	S124 N125 L126 L130 K131 L132	S124-E128 PolarHBondContact O-N 3.31Å; S124-E128 VanDerWaalsContact O-N 3.12Å; N125-E128 PolarHBondContact O-N 3.26Å; L126-E128 VanDerWaalsContact C-N 3.35Å; E128-L130 VanDerWaalsContact C-N 3.3Å; E128-L130 PolarHBondContact O-N 3.4Å; E128-K131 PolarHBondContact O-N 3.24Å; E128-K131 IonicContact OE1-NZ 3.88Å; E128-K131 PolarHBondContact OE1-NZ 3.2Å; E128-L132 WeakPolarHBondContact O-CG 3.45Å; E128-L132 PolarHBondContact O-N 3.03Å
129	E	87.9	Confident	89	Confident	96 Å²	96	56.4 Å²	56.4	45%	0.449	29%	0.292	S	S	.	.	H	α-helix	trans	-57.8	-42.3	173.9	-73	-61.4	143.7	0	0	112.2	N125 L126 L132 A133	N125-E129 PolarHBondContact O-N 2.93Å; L126-E129 PolarHBondContact O-N 2.89Å; E129-L132 WeakPolarHBondContact O-CB 3.35Å; E129-L132 PolarHBondContact O-N 3.12Å; E129-A133 PolarHBondContact O-N 3.35Å
130	L	87.3	Confident	88.3	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-68.8	-40.7	178.4	-178.5	133.6	0	0	0	112.3	T89 L93 L126 K127 E128 L132 A133 L134 L177 E181	T89-L130 HydrophobicContact CG2-CB 4.1Å; T89-L130 HydrophobicContact CG2-CD1 4.05Å; T89-L130 HydrophobicContact CG2-CG 4.38Å; L93-L130 HydrophobicContact CD1-CD1 3.64Å; L126-L130 WeakPolarHBondContact O-CB 3.39Å; L126-L130 PolarHBondContact O-N 3.2Å; K127-L130 PolarHBondContact O-N 3.08Å; E128-L130 VanDerWaalsContact C-N 3.3Å; E128-L130 PolarHBondContact O-N 3.4Å; L130-L132 VanDerWaalsContact C-N 3.3Å; L130-L132 PolarHBondContact O-N 2.86Å; L130-A133 PolarHBondContact O-N 3.39Å; L130-L134 HydrophobicContact CD2-CD1 3.71Å; L130-L134 HydrophobicContact CG-CD1 4.46Å; L130-L134 WeakPolarHBondContact O-CG 3.36Å; L130-L134 PolarHBondContact O-N 3.03Å; L130-L177 HydrophobicContact CD1-CD1 3.99Å; L130-L177 HydrophobicContact CG-CD1 4.39Å; L130-E181 HydrophobicContact CD1-CB 3.92Å; L130-E181 HydrophobicContact CD2-CB 3.52Å; L130-E181 HydrophobicContact CD2-CG 3.39Å; L130-E181 VanDerWaalsContact CD2-OE1 3.23Å; L130-E181 WeakPolarHBondContact CD2-OE1 3.32Å; L130-E181 HydrophobicContact CG-CB 4.33Å
131	K	88	Confident	87.3	Confident	69 Å²	69	58.6 Å²	58.6	30%	0.3	30%	0.299	S	S	.	.	H	α-helix	trans	-59.9	-39.8	171.1	-74.1	173.1	-172.1	166.6	0	112.1	K127 E128 L134 R135	K127-K131 WeakPolarHBondContact O-CG 3.43Å; K127-K131 PolarHBondContact O-N 2.9Å; E128-K131 PolarHBondContact O-N 3.24Å; E128-K131 IonicContact OE1-NZ 3.88Å; E128-K131 PolarHBondContact OE1-NZ 3.2Å; K131-L134 PolarHBondContact O-N 3.37Å; K131-R135 VanDerWaalsContact O-CG 3.32Å; K131-R135 WeakPolarHBondContact O-CG 3.29Å; K131-R135 PolarHBondContact O-N 3.44Å
132	L	88.7	Confident	86.4	Confident	77 Å²	77	60.3 Å²	60.3	40%	0.403	30%	0.303	S	S	.	.	H	α-helix	trans	-63.1	-45	176.1	-71.8	172.2	0	0	0	110.9	E128 E129 L130 L134 R135 Q136	E128-L132 WeakPolarHBondContact O-CG 3.45Å; E128-L132 PolarHBondContact O-N 3.03Å; E129-L132 WeakPolarHBondContact O-CB 3.35Å; E129-L132 PolarHBondContact O-N 3.12Å; L130-L132 VanDerWaalsContact C-N 3.3Å; L130-L132 PolarHBondContact O-N 2.86Å; L132-L134 PolarHBondContact O-N 3.22Å; L132-R135 PolarHBondContact O-N 3.44Å; L132-Q136 VanDerWaalsContact O-CG 3.32Å; L132-Q136 WeakPolarHBondContact O-CG 3.08Å; L132-Q136 PolarHBondContact O-N 2.84Å
133	A	86.9	Confident	85.5	Confident	1 Å²	1	60 Å²	60	1%	0.008	31%	0.308	C	S	.	.	H	α-helix	trans	-60.3	-43.6	175.6	0	0	0	0	0	111.9	F82 T85 E129 L130 R135 Q136 G137 L177	F82-A133 WeakPolarHBondContact CE2-O 3.49Å; T85-A133 HydrophobicContact CG2-CB 3.91Å; E129-A133 PolarHBondContact O-N 3.35Å; L130-A133 PolarHBondContact O-N 3.39Å; A133-R135 PolarHBondContact O-N 3.01Å; A133-Q136 WeakPolarHBondContact O-CB 3.34Å; A133-Q136 PolarHBondContact O-N 3.18Å; A133-G137 PolarHBondContact O-N 2.75Å; A133-L177 HydrophobicContact CB-CD2 3.72Å
134	L	85.1	Confident	84.3	Confident	30 Å²	30	59.3 Å²	59.3	16%	0.157	31%	0.306	C	S	.	.	H	α-helix	trans	-62.5	-41.4	175.5	-74.4	165	0	0	0	112.7	L130 K131 L132 G137 S138 L174 L177 E181	L130-L134 HydrophobicContact CD2-CD1 3.71Å; L130-L134 HydrophobicContact CG-CD1 4.46Å; L130-L134 WeakPolarHBondContact O-CG 3.36Å; L130-L134 PolarHBondContact O-N 3.03Å; K131-L134 PolarHBondContact O-N 3.37Å; L132-L134 PolarHBondContact O-N 3.22Å; L134-G137 PolarHBondContact O-N 3.24Å; L134-S138 WeakPolarHBondContact O-CB 3.33Å; L134-S138 PolarHBondContact O-N 3.15Å; L134-S138 PolarHBondContact O-OG 3.45Å; L134-L174 HydrophobicContact CD2-CD2 4.49Å; L134-L177 HydrophobicContact CD2-CB 4.28Å; L134-L177 HydrophobicContact CD2-CD2 3.71Å; L134-L177 HydrophobicContact CD2-CG 3.98Å; L134-L177 HydrophobicContact CG-CD2 3.73Å; L134-L177 HydrophobicContact CG-CG 4.18Å; L134-E181 WeakPolarHBondContact CD1-OE2 3.25Å
135	R	86	Confident	83	Confident	159 Å²	159	62 Å²	62	60%	0.6	31%	0.311	S	S	*	.	H	α-helix	trans	-64.3	-41.5	174.9	-73.8	176.3	-174.7	179.8	4.8	111.9	K131 L132 A133 S138 T139	K131-R135 VanDerWaalsContact O-CG 3.32Å; K131-R135 WeakPolarHBondContact O-CG 3.29Å; K131-R135 PolarHBondContact O-N 3.44Å; L132-R135 PolarHBondContact O-N 3.44Å; A133-R135 PolarHBondContact O-N 3.01Å; R135-S138 PolarHBondContact O-N 3.49Å; R135-T139 WeakPolarHBondContact O-CB 3.35Å; R135-T139 PolarHBondContact O-N 3.15Å; R135-T139 PolarHBondContact O-OG1 3.1Å
136	Q	85.3	Confident	81.5	Confident	98 Å²	98	61.9 Å²	61.9	46%	0.458	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-47.1	175.2	-73.8	175.4	4.3	0	0	110.8	L132 A133 T139 L140	L132-Q136 VanDerWaalsContact O-CG 3.32Å; L132-Q136 WeakPolarHBondContact O-CG 3.08Å; L132-Q136 PolarHBondContact O-N 2.84Å; A133-Q136 WeakPolarHBondContact O-CB 3.34Å; A133-Q136 PolarHBondContact O-N 3.18Å; Q136-T139 PolarHBondContact O-N 3.38Å; Q136-L140 VanDerWaalsContact O-CB 3.29Å; Q136-L140 WeakPolarHBondContact O-CB 3.38Å; Q136-L140 PolarHBondContact O-N 3.31Å
137	G	83.9	Confident	79.8	Confident	3 Å²	3	66.4 Å²	66.4	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-41	177.3	0	0	0	0	0	113.2	F82 A133 L134 L140 F141	F82-G137 VanDerWaalsContact CZ-CA 3.46Å; A133-G137 PolarHBondContact O-N 2.75Å; L134-G137 PolarHBondContact O-N 3.24Å; G137-L140 PolarHBondContact O-N 2.91Å; G137-F141 WeakPolarHBondContact O-CB 3.47Å; G137-F141 PolarHBondContact O-N 3.39Å
138	S	82.7	Confident	77.9	Confident	61 Å²	61	66.6 Å²	66.6	43%	0.427	34%	0.336	S	S	.	.	H	α-helix	trans	-67	-42	176.6	-60.1	0	0	0	0	112.4	L134 R135 F141 T142	L134-S138 WeakPolarHBondContact O-CB 3.33Å; L134-S138 PolarHBondContact O-N 3.15Å; L134-S138 PolarHBondContact O-OG 3.45Å; R135-S138 PolarHBondContact O-N 3.49Å; S138-F141 WeakPolarHBondContact O-CB 3.37Å; S138-F141 PolarHBondContact O-N 3.02Å; S138-T142 PolarHBondContact O-N 3.22Å; S138-T142 PolarHBondContact O-OG1 3.35Å
139	T	84.4	Confident	75.8	Confident	83 Å²	83	65.2 Å²	65.2	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-64.9	-44	176.2	-55.2	0	0	0	0	110.6	R135 Q136 F141 T142 C143	R135-T139 WeakPolarHBondContact O-CB 3.35Å; R135-T139 PolarHBondContact O-N 3.15Å; R135-T139 PolarHBondContact O-OG1 3.1Å; Q136-T139 PolarHBondContact O-N 3.38Å; T139-F141 PolarHBondContact O-N 3.37Å; T139-T142 PolarHBondContact O-N 3.28Å; T139-C143 PolarHBondContact O-N 3.47Å; T139-C143 PolarHBondContact O-SG 2.92Å; T139-C143 VanDerWaalsContact O-SG 3.38Å
140	L	80.5	Confident	73.6	Confident	27 Å²	27	67.2 Å²	67.2	14%	0.141	36%	0.359	C	S	.	.	H	α-helix	trans	-59.4	-38.1	174.2	-177.5	64.5	0	0	0	111.5	A78 I79 F82 Q136 G137 I144	A78-L140 HydrophobicContact CB-CD1 3.57Å; I79-L140 HydrophobicContact CG1-CD2 4.18Å; F82-L140 HydrophobicContact CB-CD2 3.79Å; F82-L140 HydrophobicContact CD1-CD2 4.28Å; F82-L140 HydrophobicContact CG-CD2 4.13Å; Q136-L140 VanDerWaalsContact O-CB 3.29Å; Q136-L140 WeakPolarHBondContact O-CB 3.38Å; Q136-L140 PolarHBondContact O-N 3.31Å; G137-L140 PolarHBondContact O-N 2.91Å; L140-I144 HydrophobicContact CD1-CD1 3.7Å; L140-I144 HydrophobicContact CD1-CG1 4.27Å; L140-I144 HydrophobicContact CG-CD1 3.92Å; L140-I144 WeakPolarHBondContact O-CD1 3.3Å; L140-I144 VanDerWaalsContact O-CG1 3.22Å; L140-I144 WeakPolarHBondContact O-CG1 3.3Å; L140-I144 PolarHBondContact O-N 2.96Å
141	F	72.5	Confident	71.4	Confident	70 Å²	70	71.4 Å²	71.4	31%	0.307	40%	0.403	S	S	.	.	H	α-helix	trans	-62	-50.1	174.7	-178.6	-90.6	0	0	0	111.7	G137 S138 T139 K145 W167 L174	G137-F141 WeakPolarHBondContact O-CB 3.47Å; G137-F141 PolarHBondContact O-N 3.39Å; S138-F141 WeakPolarHBondContact O-CB 3.37Å; S138-F141 PolarHBondContact O-N 3.02Å; T139-F141 PolarHBondContact O-N 3.37Å; F141-K145 HydrophobicContact CE1-CD 4.13Å; F141-K145 WeakPolarHBondContact O-CB 3.36Å; F141-K145 PolarHBondContact O-N 3.05Å; F141-W167 HydrophobicContact CD2-CE3 4.35Å; F141-W167 AromaticContact CD2-CZ3 3.73Å; F141-W167 HydrophobicContact CD2-CZ3 3.73Å; F141-W167 HydrophobicContact CE2-CE3 4.05Å; F141-W167 AromaticContact CE2-CZ3 3.5Å; F141-W167 HydrophobicContact CE2-CZ3 3.5Å; F141-W167 VanDerWaalsContact CE2-CZ3 3.5Å; F141-W167 HydrophobicContact CG-CZ3 4.42Å; F141-W167 AromaticContact CZ-CZ3 3.99Å; F141-W167 HydrophobicContact CZ-CZ3 3.99Å; F141-L174 HydrophobicContact CB-CD1 4.49Å
142	T	75.6	Confident	69.2	Low	68 Å²	68	70.8 Å²	70.8	42%	0.417	41%	0.408	S	S	.	.	H	α-helix	trans	-64.8	-47.1	179.9	-55.6	0	0	0	0	112.3	S138 T139 I144 K145 D146	S138-T142 PolarHBondContact O-N 3.22Å; S138-T142 PolarHBondContact O-OG1 3.35Å; T139-T142 PolarHBondContact O-N 3.28Å; T142-I144 VanDerWaalsContact C-N 3.3Å; T142-I144 PolarHBondContact O-N 3.03Å; T142-K145 WeakPolarHBondContact O-CB 3.26Å; T142-K145 PolarHBondContact O-N 3.35Å; T142-D146 WeakPolarHBondContact CG2-OD2 3.36Å; T142-D146 PolarHBondContact O-N 3.41Å
143	C	73.9	Confident	67	Low	61 Å²	61	70.9 Å²	70.9	41%	0.412	42%	0.419	S	S	.	.	H	α-helix	trans	-60.5	-39.2	179.8	-69.8	0	0	0	0	112.7	T139 Q147	T139-C143 PolarHBondContact O-N 3.47Å; T139-C143 PolarHBondContact O-SG 2.92Å; T139-C143 VanDerWaalsContact O-SG 3.38Å; C143-Q147 WeakPolarHBondContact O-CB 3.45Å; C143-Q147 VanDerWaalsContact O-CG 3.22Å; C143-Q147 WeakPolarHBondContact O-CG 3.46Å; C143-Q147 PolarHBondContact O-N 2.99Å
144	I	67.5	Low	64.8	Low	2 Å²	2	74.1 Å²	74.1	1%	0.01	44%	0.442	C	S	.	.	H	α-helix	trans	-74	-33.9	177	-59.9	171.9	0	0	0	110.1	I79 L140 T142 T148 W167	I79-I144 HydrophobicContact CD1-CD1 4.3Å; I79-I144 HydrophobicContact CG1-CD1 4.43Å; L140-I144 HydrophobicContact CD1-CD1 3.7Å; L140-I144 HydrophobicContact CD1-CG1 4.27Å; L140-I144 HydrophobicContact CG-CD1 3.92Å; L140-I144 WeakPolarHBondContact O-CD1 3.3Å; L140-I144 VanDerWaalsContact O-CG1 3.22Å; L140-I144 WeakPolarHBondContact O-CG1 3.3Å; L140-I144 PolarHBondContact O-N 2.96Å; T142-I144 VanDerWaalsContact C-N 3.3Å; T142-I144 PolarHBondContact O-N 3.03Å; I144-T148 WeakPolarHBondContact O-CG2 3.47Å; I144-W167 HydrophobicContact CB-CH2 4.44Å; I144-W167 HydrophobicContact CB-CZ2 4.17Å; I144-W167 HydrophobicContact CG2-CH2 4.29Å; I144-W167 HydrophobicContact CG2-CZ2 3.57Å
145	K	65.4	Low	62.6	Low	112 Å²	112	75.3 Å²	75.3	49%	0.487	45%	0.453	S	S	.	.	H	α-helix	trans	-65.1	-49	176.4	-163.7	179.4	174.6	-175.2	0	112.3	F141 T142 Q147 T148 W167	F141-K145 HydrophobicContact CE1-CD 4.13Å; F141-K145 WeakPolarHBondContact O-CB 3.36Å; F141-K145 PolarHBondContact O-N 3.05Å; T142-K145 WeakPolarHBondContact O-CB 3.26Å; T142-K145 PolarHBondContact O-N 3.35Å; K145-Q147 VanDerWaalsContact C-N 3.31Å; K145-Q147 PolarHBondContact O-N 3.42Å; K145-T148 WeakPolarHBondContact O-CB 3.4Å; K145-T148 PolarHBondContact O-N 3.13Å; K145-T148 PolarHBondContact O-OG1 2.89Å; K145-W167 HydrophobicContact CB-CH2 3.75Å; K145-W167 HydrophobicContact CG-CH2 4.21Å
146	D	59.1	Low	60.3	Low	112 Å²	112	74 Å²	74	60%	0.599	46%	0.455	S	S	*	.	H	α-helix	trans	-70.8	-30	-173.8	-66.6	-16.2	0	0	0	112	T142 T148 G149	T142-D146 WeakPolarHBondContact CG2-OD2 3.36Å; T142-D146 PolarHBondContact O-N 3.41Å; D146-T148 PolarHBondContact O-N 2.95Å; D146-G149 PolarHBondContact O-N 3.44Å; D146-G149 VanDerWaalsContact O-N 3.09Å
147	Q	54.8	Low	58.3	Low	118 Å²	118	76.6 Å²	76.6	55%	0.551	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-10.1	172.1	-68.9	175.9	24.6	0	0	113.5	H75 C143 K145 G149	H75-Q147 PolarHBondContact CE1-OE1 2.99Å; H75-Q147 VanDerWaalsContact CE1-OE1 3.27Å; C143-Q147 WeakPolarHBondContact O-CB 3.45Å; C143-Q147 VanDerWaalsContact O-CG 3.22Å; C143-Q147 WeakPolarHBondContact O-CG 3.46Å; C143-Q147 PolarHBondContact O-N 2.99Å; K145-Q147 VanDerWaalsContact C-N 3.31Å; K145-Q147 PolarHBondContact O-N 3.42Å; Q147-G149 VanDerWaalsContact C-N 3.32Å
148	T	51.1	Low	56.3	Low	58 Å²	58	82.7 Å²	82.7	36%	0.356	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-0.6	169.5	75.5	0	0	0	0	113.3	I144 K145 D146 L150 Y160 W167	I144-T148 WeakPolarHBondContact O-CG2 3.47Å; K145-T148 WeakPolarHBondContact O-CB 3.4Å; K145-T148 PolarHBondContact O-N 3.13Å; K145-T148 PolarHBondContact O-OG1 2.89Å; D146-T148 PolarHBondContact O-N 2.95Å; T148-L150 PolarHBondContact O-N 3.28Å; T148-Y160 VanDerWaalsContact CB-OH 3.26Å; T148-Y160 WeakPolarHBondContact CB-OH 3.27Å; T148-Y160 HydrophobicContact CG2-CE1 3.98Å; T148-Y160 WeakPolarHBondContact CG2-OH 3.29Å; T148-W167 HydrophobicContact CG2-CZ2 4.18Å
149	G	45	Very low	54.5	Low	61 Å²	61	81.2 Å²	81.2	63%	0.629	48%	0.482	S	S	*	.			trans	-74.9	81.6	-176.3	0	0	0	0	0	114.7	D146 Q147	D146-G149 PolarHBondContact O-N 3.44Å; D146-G149 VanDerWaalsContact O-N 3.09Å; Q147-G149 VanDerWaalsContact C-N 3.32Å
150	L	42.1	Very low	52.6	Low	137 Å²	137	80.8 Å²	80.8	72%	0.717	47%	0.472	S	S	*	.			trans	-126.3	85.3	156.1	-88.3	162.1	0	0	0	109.8	T148 S152 S155	T148-L150 PolarHBondContact O-N 3.28Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 3.27Å; L150-S155 PolarHBondContact O-OG 2.91Å
151	G	41	Very low	51	Low	92 Å²	92	89.2 Å²	89.2	95%	0.948	50%	0.502	S	S	*	.	S	Bend	trans	49.7	-0.4	137.4	0	0	0	0	0	123.9
152	S	41.3	Very low	49.6	Very low	57 Å²	57	88.8 Å²	88.8	40%	0.399	52%	0.517	S	S	.	.			trans	-149.9	125.6	-179.1	-169.5	0	0	0	0	113.1	L150 S154 S155	L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 3.27Å; S152-S154 PolarHBondContact O-N 3.02Å; S152-S154 PolarHBondContact OG-OG 3.35Å; S152-S155 PolarHBondContact O-N 3.48Å; S152-S155 VanDerWaalsContact O-N 3.1Å; S152-S155 PolarHBondContact O-OG 3.47Å
153	A	42.3	Very low	48.2	Very low	78 Å²	78	87.6 Å²	87.6	65%	0.645	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-20.1	176.4	0	0	0	0	0	113.6
154	S	40.9	Very low	47	Very low	70 Å²	70	85.1 Å²	85.1	49%	0.49	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-22.6	178.9	15.6	0	0	0	0	115.5	S152	S152-S154 PolarHBondContact O-N 3.02Å; S152-S154 PolarHBondContact OG-OG 3.35Å
155	S	39.5	Very low	46.2	Very low	55 Å²	55	93.8 Å²	93.8	39%	0.385	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-22.5	173.6	54.6	0	0	0	0	112.2	L150 S152 I157 R158	L150-S155 PolarHBondContact O-OG 2.91Å; S152-S155 PolarHBondContact O-N 3.48Å; S152-S155 VanDerWaalsContact O-N 3.1Å; S152-S155 PolarHBondContact O-OG 3.47Å; S155-I157 VanDerWaalsContact C-N 3.29Å; S155-I157 PolarHBondContact O-N 2.87Å; S155-R158 PolarHBondContact O-N 3.42Å; S155-R158 VanDerWaalsContact O-N 3.11Å
156	M	38.3	Very low	45.5	Very low	131 Å²	131	89.4 Å²	89.4	65%	0.645	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-29.9	-179	-160.7	178.9	-65.9	0	0	113.8	Y160	M156-Y160 VanDerWaalsContact O-CD2 3.31Å; M156-Y160 WeakPolarHBondContact O-CD2 3.45Å
157	I	42.7	Very low	45.4	Very low	152 Å²	152	86.3 Å²	86.3	78%	0.779	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-20	179	-63.6	172.1	0	0	0	111.5	S155	S155-I157 VanDerWaalsContact C-N 3.29Å; S155-I157 PolarHBondContact O-N 2.87Å
158	R	41.9	Very low	45.7	Very low	132 Å²	132	86.7 Å²	86.7	50%	0.498	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-21.9	-158.9	-141.6	169.6	-81.5	172	-5.7	114.6	S155	S155-R158 PolarHBondContact O-N 3.42Å; S155-R158 VanDerWaalsContact O-N 3.11Å
159	C	44.5	Very low	46.2	Very low	30 Å²	30	90.5 Å²	90.5	20%	0.203	50%	0.499	C	S	.	.	S	Bend	trans	-104.4	-2.6	178.6	-69.6	0	0	0	0	116.9	L65 E66	L65-C159 VanDerWaalsContact CD1-CA 3.43Å; L65-C159 HydrophobicContact CD1-CB 3.91Å; E66-C159 PolarHBondContact N-SG 3.33Å
160	Y	44.5	Very low	47.2	Very low	73 Å²	73	87.9 Å²	87.9	29%	0.286	47%	0.47	S	S	.	.			trans	-115.2	23.7	-153	-76.2	-83.3	0	0	0	118.2	T148 M156 L163 G164 W167	T148-Y160 VanDerWaalsContact CB-OH 3.26Å; T148-Y160 WeakPolarHBondContact CB-OH 3.27Å; T148-Y160 HydrophobicContact CG2-CE1 3.98Å; T148-Y160 WeakPolarHBondContact CG2-OH 3.29Å; M156-Y160 VanDerWaalsContact O-CD2 3.31Å; M156-Y160 WeakPolarHBondContact O-CD2 3.45Å; Y160-L163 HydrophobicContact CD1-CB 3.62Å; Y160-L163 HydrophobicContact CE1-CB 3.99Å; Y160-L163 HydrophobicContact CE1-CD1 4.38Å; Y160-L163 HydrophobicContact CE1-CD2 4.28Å; Y160-L163 HydrophobicContact CE1-CG 4.45Å; Y160-G164 VanDerWaalsContact O-CA 3.26Å; Y160-G164 WeakPolarHBondContact O-CA 3.23Å; Y160-G164 PolarHBondContact O-N 2.96Å; Y160-W167 AromaticContact CE1-NE1 3.91Å
161	R	46.7	Very low	48.4	Very low	205 Å²	205	84.6 Å²	84.6	77%	0.774	46%	0.458	S	S	*	.	H	α-helix	trans	-77.3	-38.9	170.3	-101	-178.1	-162.6	-119.1	0.6	113.9
162	G	44.3	Very low	49.9	Very low	61 Å²	61	83.3 Å²	83.3	63%	0.629	43%	0.429	S	S	*	.	H	α-helix	trans	-78.2	-40.4	177.4	0	0	0	0	0	113.5
163	L	45.6	Very low	51.5	Low	42 Å²	42	81.6 Å²	81.6	22%	0.22	42%	0.415	C	S	.	.	H	α-helix	trans	-71.6	-29	170.8	-95.6	125.1	0	0	0	112.3	Y160 R165 S166 W167	Y160-L163 HydrophobicContact CD1-CB 3.62Å; Y160-L163 HydrophobicContact CE1-CB 3.99Å; Y160-L163 HydrophobicContact CE1-CD1 4.38Å; Y160-L163 HydrophobicContact CE1-CD2 4.28Å; Y160-L163 HydrophobicContact CE1-CG 4.45Å; L163-R165 VanDerWaalsContact C-N 3.34Å; L163-R165 PolarHBondContact O-N 2.84Å; L163-S166 CarbonylContact O-C 3.6Å; L163-S166 WeakPolarHBondContact O-CA 3.46Å; L163-S166 VanDerWaalsContact O-CB 3.26Å; L163-S166 WeakPolarHBondContact O-CB 3.44Å; L163-S166 PolarHBondContact O-N 2.77Å; L163-W167 PolarHBondContact O-N 2.86Å
164	G	49.1	Very low	53.2	Low	10 Å²	10	79.4 Å²	79.4	10%	0.103	39%	0.393	C	S	.	.	H	α-helix	trans	-49.5	-53.8	173.9	0	0	0	0	0	111.3	Y160 S166 W167 Q168	Y160-G164 VanDerWaalsContact O-CA 3.26Å; Y160-G164 WeakPolarHBondContact O-CA 3.23Å; Y160-G164 PolarHBondContact O-N 2.96Å; G164-S166 PolarHBondContact O-N 2.87Å; G164-W167 CarbonylContact O-C 3.58Å; G164-W167 WeakPolarHBondContact O-CA 3.38Å; G164-W167 VanDerWaalsContact O-CB 3.32Å; G164-W167 WeakPolarHBondContact O-CB 3.45Å; G164-W167 PolarHBondContact O-N 3.47Å; G164-Q168 PolarHBondContact O-N 3.37Å; G164-Q168 PolarHBondContact O-OE1 3.17Å
165	R	49.8	Very low	54.9	Low	184 Å²	184	78.7 Å²	78.7	69%	0.694	39%	0.391	S	S	*	.	H	α-helix	trans	-58.3	-34.4	177.2	-70.6	-173.3	-179.8	-130.1	1.6	113.2	L163 Q168 R169	L163-R165 VanDerWaalsContact C-N 3.34Å; L163-R165 PolarHBondContact O-N 2.84Å; R165-Q168 VanDerWaalsContact CA-OE1 3.23Å; R165-Q168 VanDerWaalsContact N-OE1 3.1Å; R165-R169 WeakPolarHBondContact O-CB 3.26Å; R165-R169 PolarHBondContact O-N 3.46Å
166	S	51.9	Low	56.6	Low	20 Å²	20	79 Å²	79	14%	0.14	39%	0.386	C	S	.	.	H	α-helix	trans	-73.4	-35	176.5	-160.1	0	0	0	0	112.7	I79 L163 G164 R170	I79-S166 WeakPolarHBondContact CD1-OG 3.43Å; L163-S166 CarbonylContact O-C 3.6Å; L163-S166 WeakPolarHBondContact O-CA 3.46Å; L163-S166 VanDerWaalsContact O-CB 3.26Å; L163-S166 WeakPolarHBondContact O-CB 3.44Å; L163-S166 PolarHBondContact O-N 2.77Å; G164-S166 PolarHBondContact O-N 2.87Å; S166-R170 WeakPolarHBondContact O-CB 3.35Å; S166-R170 WeakPolarHBondContact O-CG 3.43Å; S166-R170 PolarHBondContact O-N 2.94Å; S166-R170 VanDerWaalsContact O-N 3.13Å; S166-R170 PolarHBondContact O-NE 2.88Å
167	W	56.6	Low	58.6	Low	47 Å²	47	72.9 Å²	72.9	18%	0.178	36%	0.356	C	S	.	.	H	α-helix	trans	-67.5	-47.3	170.9	-86	97.6	0	0	0	111.6	F141 I144 K145 T148 Y160 L163 G164 R170 S171	F141-W167 HydrophobicContact CD2-CE3 4.35Å; F141-W167 AromaticContact CD2-CZ3 3.73Å; F141-W167 HydrophobicContact CD2-CZ3 3.73Å; F141-W167 HydrophobicContact CE2-CE3 4.05Å; F141-W167 AromaticContact CE2-CZ3 3.5Å; F141-W167 HydrophobicContact CE2-CZ3 3.5Å; F141-W167 VanDerWaalsContact CE2-CZ3 3.5Å; F141-W167 HydrophobicContact CG-CZ3 4.42Å; F141-W167 AromaticContact CZ-CZ3 3.99Å; F141-W167 HydrophobicContact CZ-CZ3 3.99Å; I144-W167 HydrophobicContact CB-CH2 4.44Å; I144-W167 HydrophobicContact CB-CZ2 4.17Å; I144-W167 HydrophobicContact CG2-CH2 4.29Å; I144-W167 HydrophobicContact CG2-CZ2 3.57Å; K145-W167 HydrophobicContact CB-CH2 3.75Å; K145-W167 HydrophobicContact CG-CH2 4.21Å; T148-W167 HydrophobicContact CG2-CZ2 4.18Å; Y160-W167 AromaticContact CE1-NE1 3.91Å; L163-W167 PolarHBondContact O-N 2.86Å; G164-W167 CarbonylContact O-C 3.58Å; G164-W167 WeakPolarHBondContact O-CA 3.38Å; G164-W167 VanDerWaalsContact O-CB 3.32Å; G164-W167 WeakPolarHBondContact O-CB 3.45Å; G164-W167 PolarHBondContact O-N 3.47Å; W167-R170 VanDerWaalsContact CD1-NH2 3.29Å; W167-R170 PolarHBondContact O-N 3.48Å; W167-S171 WeakPolarHBondContact O-CB 3.44Å; W167-S171 PolarHBondContact O-N 3.03Å
168	Q	60.6	Low	60.4	Low	125 Å²	125	69.5 Å²	69.5	58%	0.584	34%	0.34	S	S	*	.	H	α-helix	trans	-63.7	-44.3	176	-73.1	119.2	17.7	0	0	111.5	G164 R165 R170 S171 L172	G164-Q168 PolarHBondContact O-N 3.37Å; G164-Q168 PolarHBondContact O-OE1 3.17Å; R165-Q168 VanDerWaalsContact CA-OE1 3.23Å; R165-Q168 VanDerWaalsContact N-OE1 3.1Å; Q168-R170 VanDerWaalsContact C-N 3.32Å; Q168-R170 PolarHBondContact O-N 3.27Å; Q168-S171 PolarHBondContact O-N 3.02Å; Q168-L172 VanDerWaalsContact O-CB 3.25Å; Q168-L172 WeakPolarHBondContact O-CB 3.45Å; Q168-L172 PolarHBondContact O-N 3.11Å
169	R	62.3	Low	62.2	Low	139 Å²	139	69.8 Å²	69.8	53%	0.525	35%	0.347	S	S	.	.	H	α-helix	trans	-60.4	-39.1	175.6	-172.4	172.8	-178	107.2	-0.1	112.5	R165 L173	R165-R169 WeakPolarHBondContact O-CB 3.26Å; R165-R169 PolarHBondContact O-N 3.46Å; R169-L173 HydrophobicContact CG-CD1 4.48Å; R169-L173 VanDerWaalsContact O-CG 3.26Å; R169-L173 WeakPolarHBondContact O-CG 3.46Å; R169-L173 PolarHBondContact O-N 3.39Å
170	R	65.4	Low	63.8	Low	5 Å²	5	70.8 Å²	70.8	2%	0.019	35%	0.352	C	S	.	.	H	α-helix	trans	-69.5	-45.8	175	-86.3	-176	-74.7	141.2	-0.7	113.3	I79 S166 W167 Q168 L172 L173 L174	I79-R170 HydrophobicContact CB-CG 4.45Å; I79-R170 HydrophobicContact CD1-CG 3.84Å; I79-R170 VanDerWaalsContact CD1-NE 3.31Å; I79-R170 VanDerWaalsContact CG1-CD 3.5Å; I79-R170 HydrophobicContact CG1-CG 3.68Å; I79-R170 HydrophobicContact CG2-CG 4.02Å; S166-R170 WeakPolarHBondContact O-CB 3.35Å; S166-R170 WeakPolarHBondContact O-CG 3.43Å; S166-R170 PolarHBondContact O-N 2.94Å; S166-R170 VanDerWaalsContact O-N 3.13Å; S166-R170 PolarHBondContact O-NE 2.88Å; W167-R170 VanDerWaalsContact CD1-NH2 3.29Å; W167-R170 PolarHBondContact O-N 3.48Å; Q168-R170 VanDerWaalsContact C-N 3.32Å; Q168-R170 PolarHBondContact O-N 3.27Å; R170-L172 PolarHBondContact O-N 3.3Å; R170-L173 PolarHBondContact O-N 3.45Å; R170-L174 PolarHBondContact O-N 3Å
171	S	67.3	Low	65.6	Low	69 Å²	69	69.2 Å²	69.2	48%	0.483	35%	0.347	S	S	.	.	H	α-helix	trans	-59.6	-37.9	177.8	-171.2	0	0	0	0	111	W167 Q168 A175	W167-S171 WeakPolarHBondContact O-CB 3.44Å; W167-S171 PolarHBondContact O-N 3.03Å; Q168-S171 PolarHBondContact O-N 3.02Å; S171-A175 WeakPolarHBondContact O-CB 3.44Å; S171-A175 PolarHBondContact O-N 3.12Å
172	L	71.8	Confident	67.3	Low	65 Å²	65	63.1 Å²	63.1	34%	0.34	33%	0.33	S	S	.	.	H	α-helix	trans	-67.4	-44.6	174.9	-179.9	72.3	0	0	0	112.3	Q168 R170 L174 A175 Q176 F664	Q168-L172 VanDerWaalsContact O-CB 3.25Å; Q168-L172 WeakPolarHBondContact O-CB 3.45Å; Q168-L172 PolarHBondContact O-N 3.11Å; R170-L172 PolarHBondContact O-N 3.3Å; L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 2.99Å; L172-A175 PolarHBondContact O-N 3.25Å; L172-Q176 HydrophobicContact CG-CG 4.46Å; L172-Q176 WeakPolarHBondContact O-CB 3.34Å; L172-Q176 WeakPolarHBondContact O-CG 3.43Å; L172-Q176 PolarHBondContact O-N 3.31Å; L172-F664 HydrophobicContact CD2-CD1 4.2Å; L172-F664 HydrophobicContact CD2-CE1 3.17Å; L172-F664 HydrophobicContact CD2-CZ 3.4Å; L172-F664 HydrophobicContact CG-CE1 4.45Å
173	L	75.7	Confident	69	Low	20 Å²	20	62.9 Å²	62.9	11%	0.105	32%	0.322	C	S	.	.	H	α-helix	trans	-61	-37.8	176.9	-75.5	168.1	0	0	0	112.2	F82 A83 V86 R169 R170 L177	F82-L173 HydrophobicContact CD1-CD1 4.38Å; F82-L173 HydrophobicContact CE1-CB 3.95Å; A83-L173 HydrophobicContact CB-CD1 3.82Å; V86-L173 HydrophobicContact CG1-CD2 4.22Å; R169-L173 HydrophobicContact CG-CD1 4.48Å; R169-L173 VanDerWaalsContact O-CG 3.26Å; R169-L173 WeakPolarHBondContact O-CG 3.46Å; R169-L173 PolarHBondContact O-N 3.39Å; R170-L173 PolarHBondContact O-N 3.45Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 PolarHBondContact O-N 3.2Å; L173-L177 VanDerWaalsContact O-N 3.08Å
174	L	77.9	Confident	70.7	Confident	33 Å²	33	61.9 Å²	61.9	17%	0.173	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-45.1	172.9	-83.1	169.8	0	0	0	111.8	F82 L134 F141 R170 L172 Q176 L177 D178	F82-L174 HydrophobicContact CE1-CG 4.31Å; F82-L174 HydrophobicContact CZ-CD2 4Å; F82-L174 HydrophobicContact CZ-CG 4.28Å; L134-L174 HydrophobicContact CD2-CD2 4.49Å; F141-L174 HydrophobicContact CB-CD1 4.49Å; R170-L174 PolarHBondContact O-N 3Å; L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 2.99Å; L174-Q176 VanDerWaalsContact C-N 3.34Å; L174-Q176 PolarHBondContact O-N 2.78Å; L174-L177 PolarHBondContact O-N 3.27Å; L174-D178 WeakPolarHBondContact O-CB 3.4Å; L174-D178 PolarHBondContact O-N 3.16Å
175	A	76.7	Confident	72.5	Confident	54 Å²	54	64 Å²	64	45%	0.446	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-40.1	176.7	0	0	0	0	0	112.4	S171 L172 D178 E179	S171-A175 WeakPolarHBondContact O-CB 3.44Å; S171-A175 PolarHBondContact O-N 3.12Å; L172-A175 PolarHBondContact O-N 3.25Å; A175-D178 PolarHBondContact O-N 3.4Å; A175-E179 WeakPolarHBondContact O-CB 3.22Å; A175-E179 PolarHBondContact O-N 2.67Å
176	Q	76	Confident	74.1	Confident	62 Å²	62	61.2 Å²	61.2	29%	0.29	32%	0.318	S	S	.	.	H	α-helix	trans	-64	-41.1	175.6	-75.7	177	-27.3	0	0	112	L172 L174 T180	L172-Q176 HydrophobicContact CG-CG 4.46Å; L172-Q176 WeakPolarHBondContact O-CB 3.34Å; L172-Q176 WeakPolarHBondContact O-CG 3.43Å; L172-Q176 PolarHBondContact O-N 3.31Å; L174-Q176 VanDerWaalsContact C-N 3.34Å; L174-Q176 PolarHBondContact O-N 2.78Å; Q176-T180 WeakPolarHBondContact O-CB 3.25Å; Q176-T180 PolarHBondContact O-N 3.28Å; Q176-T180 PolarHBondContact O-OG1 3.46Å
177	L	80.4	Confident	75.7	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-66.6	-40.1	178	-170.7	64.9	0	0	0	111.5	V86 T89 L130 A133 L134 L173 L174 T180 E181	V86-L177 HydrophobicContact CG2-CD2 4.37Å; T89-L177 HydrophobicContact CG2-CD1 4.16Å; L130-L177 HydrophobicContact CD1-CD1 3.99Å; L130-L177 HydrophobicContact CG-CD1 4.39Å; A133-L177 HydrophobicContact CB-CD2 3.72Å; L134-L177 HydrophobicContact CD2-CB 4.28Å; L134-L177 HydrophobicContact CD2-CD2 3.71Å; L134-L177 HydrophobicContact CD2-CG 3.98Å; L134-L177 HydrophobicContact CG-CD2 3.73Å; L134-L177 HydrophobicContact CG-CG 4.18Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 PolarHBondContact O-N 3.2Å; L173-L177 VanDerWaalsContact O-N 3.08Å; L174-L177 PolarHBondContact O-N 3.27Å; L177-T180 PolarHBondContact O-N 3.41Å; L177-E181 WeakPolarHBondContact O-CB 3.35Å; L177-E181 PolarHBondContact O-N 3.46Å
178	D	78.8	Confident	77.3	Confident	81 Å²	81	62.6 Å²	62.6	43%	0.433	32%	0.323	S	S	.	.	H	α-helix	trans	-65.7	-43.8	175.7	-170.8	84.5	0	0	0	112.1	L174 A175 T180 E181 N182	L174-D178 WeakPolarHBondContact O-CB 3.4Å; L174-D178 PolarHBondContact O-N 3.16Å; A175-D178 PolarHBondContact O-N 3.4Å; D178-T180 VanDerWaalsContact C-N 3.34Å; D178-T180 PolarHBondContact O-N 3.32Å; D178-E181 PolarHBondContact O-N 3.32Å; D178-N182 WeakPolarHBondContact O-CB 3.42Å; D178-N182 PolarHBondContact O-N 2.94Å; D178-N182 PolarHBondContact O-ND2 3.25Å; D178-N182 PolarHBondContact OD2-ND2 3.03Å
179	E	80.3	Confident	78.6	Confident	139 Å²	139	60.1 Å²	60.1	65%	0.65	32%	0.318	S	S	*	.	H	α-helix	trans	-63.1	-41.1	174.6	-173.9	173.2	-159.2	0	0	111.7	A175 N182 A183	A175-E179 WeakPolarHBondContact O-CB 3.22Å; A175-E179 PolarHBondContact O-N 2.67Å; E179-N182 PolarHBondContact O-N 3.42Å; E179-A183 WeakPolarHBondContact O-CB 3.44Å; E179-A183 PolarHBondContact O-N 3.26Å
180	T	78.3	Confident	79.8	Confident	51 Å²	51	60.9 Å²	60.9	31%	0.313	33%	0.325	S	S	.	.	H	α-helix	trans	-66	-40.7	177.1	-52.9	0	0	0	0	111.4	L93 Q176 L177 D178 F184	L93-T180 HydrophobicContact CD1-CG2 3.64Å; Q176-T180 WeakPolarHBondContact O-CB 3.25Å; Q176-T180 PolarHBondContact O-N 3.28Å; Q176-T180 PolarHBondContact O-OG1 3.46Å; L177-T180 PolarHBondContact O-N 3.41Å; D178-T180 VanDerWaalsContact C-N 3.34Å; D178-T180 PolarHBondContact O-N 3.32Å; T180-F184 VanDerWaalsContact O-CB 3.23Å; T180-F184 WeakPolarHBondContact O-CB 3.31Å; T180-F184 PolarHBondContact O-N 2.88Å
181	E	81.4	Confident	80.9	Confident	39 Å²	39	61.8 Å²	61.8	18%	0.182	33%	0.33	C	S	.	.	H	α-helix	trans	-58.5	-51.9	172.8	176.9	172.6	-149.1	0	0	111.1	L130 L134 L177 D178 A183 F184 E185	L130-E181 HydrophobicContact CD1-CB 3.92Å; L130-E181 HydrophobicContact CD2-CB 3.52Å; L130-E181 HydrophobicContact CD2-CG 3.39Å; L130-E181 VanDerWaalsContact CD2-OE1 3.23Å; L130-E181 WeakPolarHBondContact CD2-OE1 3.32Å; L130-E181 HydrophobicContact CG-CB 4.33Å; L134-E181 WeakPolarHBondContact CD1-OE2 3.25Å; L177-E181 WeakPolarHBondContact O-CB 3.35Å; L177-E181 PolarHBondContact O-N 3.46Å; D178-E181 PolarHBondContact O-N 3.32Å; E181-A183 PolarHBondContact O-N 3.4Å; E181-F184 PolarHBondContact O-N 3.04Å; E181-E185 WeakPolarHBondContact O-CB 3.5Å; E181-E185 PolarHBondContact O-N 3.31Å
182	N	82.6	Confident	82.2	Confident	77 Å²	77	60.5 Å²	60.5	41%	0.412	32%	0.316	S	S	.	.	H	α-helix	trans	-61.4	-43.4	-177.7	-75.3	-46.3	0	0	0	111.9	D178 E179 E185 Q186	D178-N182 WeakPolarHBondContact O-CB 3.42Å; D178-N182 PolarHBondContact O-N 2.94Å; D178-N182 PolarHBondContact O-ND2 3.25Å; D178-N182 PolarHBondContact OD2-ND2 3.03Å; E179-N182 PolarHBondContact O-N 3.42Å; N182-E185 PolarHBondContact O-N 2.83Å; N182-Q186 VanDerWaalsContact O-CG 3.29Å; N182-Q186 WeakPolarHBondContact O-CG 3.31Å; N182-Q186 PolarHBondContact O-N 3.16Å; N182-Q186 VanDerWaalsContact O-N 3.1Å
183	A	80.1	Confident	83.2	Confident	57 Å²	57	61.6 Å²	61.6	47%	0.471	32%	0.322	S	S	.	.	H	α-helix	trans	-63.5	-43.2	176.9	0	0	0	0	0	111.8	E179 E181 Q186 F187	E179-A183 WeakPolarHBondContact O-CB 3.44Å; E179-A183 PolarHBondContact O-N 3.26Å; E181-A183 PolarHBondContact O-N 3.4Å; A183-Q186 PolarHBondContact O-N 3.41Å; A183-F187 PolarHBondContact O-N 3.15Å
184	F	82.1	Confident	83.9	Confident	21 Å²	21	65.6 Å²	65.6	9%	0.092	34%	0.338	C	S	.	.	H	α-helix	trans	-66.5	-40.3	178.5	179.3	-107.8	0	0	0	112.5	L93 F96 Y123 L126 T180 E181 F187 W188	L93-F184 HydrophobicContact CD2-CB 4.47Å; L93-F184 HydrophobicContact CD2-CD1 3.61Å; L93-F184 HydrophobicContact CD2-CD2 3.89Å; L93-F184 HydrophobicContact CD2-CE1 3.65Å; L93-F184 HydrophobicContact CD2-CE2 3.95Å; L93-F184 HydrophobicContact CD2-CG 3.72Å; L93-F184 HydrophobicContact CD2-CZ 3.82Å; F96-F184 AromaticContact CD1-CE2 3.62Å; F96-F184 HydrophobicContact CD1-CE2 3.62Å; F96-F184 AromaticContact CD1-CZ 3.45Å; F96-F184 HydrophobicContact CD1-CZ 3.45Å; F96-F184 VanDerWaalsContact CD1-CZ 3.45Å; F96-F184 HydrophobicContact CE1-CE2 4.12Å; F96-F184 AromaticContact CE1-CZ 3.67Å; F96-F184 HydrophobicContact CE1-CZ 3.67Å; Y123-F184 HydrophobicContact CD2-CD1 4.45Å; Y123-F184 AromaticContact CD2-CE1 3.46Å; Y123-F184 HydrophobicContact CD2-CE1 3.46Å; Y123-F184 VanDerWaalsContact CD2-CE1 3.46Å; Y123-F184 AromaticContact CD2-CZ 3.81Å; Y123-F184 HydrophobicContact CD2-CZ 3.81Å; Y123-F184 HydrophobicContact CE2-CD1 4.23Å; Y123-F184 AromaticContact CE2-CE1 3.63Å; Y123-F184 HydrophobicContact CE2-CE1 3.63Å; Y123-F184 HydrophobicContact CE2-CZ 4.38Å; L126-F184 HydrophobicContact CD1-CZ 4.41Å; T180-F184 VanDerWaalsContact O-CB 3.23Å; T180-F184 WeakPolarHBondContact O-CB 3.31Å; T180-F184 PolarHBondContact O-N 2.88Å; E181-F184 PolarHBondContact O-N 3.04Å; F184-F187 PolarHBondContact O-N 3.19Å; F184-W188 WeakPolarHBondContact O-CB 2.89Å; F184-W188 PolarHBondContact O-N 2.91Å
185	E	86.5	Confident	84.6	Confident	54 Å²	54	64.1 Å²	64.1	25%	0.252	33%	0.331	S	S	.	.	H	α-helix	trans	-61.6	-45.8	176.3	-166	73.2	174.9	0	0	111.2	Y123 K127 E181 N182 F187 W188 C189	Y123-E185 PolarHBondContact OH-OE1 3.38Å; Y123-E185 PolarHBondContact OH-OE2 2.78Å; K127-E185 IonicContact NZ-OE1 3.03Å; K127-E185 PolarHBondContact NZ-OE1 2.81Å; K127-E185 IonicContact NZ-OE2 2.78Å; K127-E185 PolarHBondContact NZ-OE2 3.06Å; E181-E185 WeakPolarHBondContact O-CB 3.5Å; E181-E185 PolarHBondContact O-N 3.31Å; N182-E185 PolarHBondContact O-N 2.83Å; E185-F187 VanDerWaalsContact C-N 3.34Å; E185-F187 PolarHBondContact O-N 3.23Å; E185-W188 PolarHBondContact O-N 3.38Å; E185-C189 PolarHBondContact O-N 3.01Å; E185-C189 PolarHBondContact O-SG 2.92Å
186	Q	84.3	Confident	85.5	Confident	125 Å²	125	65.2 Å²	65.2	58%	0.584	33%	0.327	S	S	*	.	H	α-helix	trans	-62.5	-41.3	177.4	-71.6	175.7	26.2	0	0	112.2	N182 A183 K190	N182-Q186 VanDerWaalsContact O-CG 3.29Å; N182-Q186 WeakPolarHBondContact O-CG 3.31Å; N182-Q186 PolarHBondContact O-N 3.16Å; N182-Q186 VanDerWaalsContact O-N 3.1Å; A183-Q186 PolarHBondContact O-N 3.41Å; Q186-K190 WeakPolarHBondContact O-CG 3.35Å; Q186-K190 PolarHBondContact O-N 2.98Å
187	F	84.1	Confident	86.4	Confident	82 Å²	82	63.3 Å²	63.3	36%	0.36	32%	0.318	S	S	.	.	H	α-helix	trans	-63.7	-47.9	174.6	175.8	-96.5	0	0	0	111.2	L100 A183 F184 E185 C189 K190 H191	L100-F187 HydrophobicContact CB-CE1 3.78Å; L100-F187 HydrophobicContact CB-CZ 4.07Å; L100-F187 HydrophobicContact CD1-CD1 4.29Å; L100-F187 HydrophobicContact CD1-CE1 3.65Å; L100-F187 HydrophobicContact CG-CE1 4.34Å; A183-F187 PolarHBondContact O-N 3.15Å; F184-F187 PolarHBondContact O-N 3.19Å; E185-F187 VanDerWaalsContact C-N 3.34Å; E185-F187 PolarHBondContact O-N 3.23Å; F187-C189 PolarHBondContact O-N 2.89Å; F187-K190 PolarHBondContact O-N 3.35Å; F187-H191 HydrophobicContact CE1-CB 4.38Å; F187-H191 PolarHBondContact O-N 2.91Å
188	W	89.9	Confident	87.1	Confident	15 Å²	15	63.3 Å²	63.3	6%	0.057	32%	0.318	C	S	.	.	H	α-helix	trans	-58.4	-46.6	178.6	174.2	-106.2	0	0	0	111.9	F96 L100 H119 Y123 F184 E185 K190 H191 H192	F96-W188 HydrophobicContact CE1-CE3 4.29Å; F96-W188 HydrophobicContact CE1-CZ3 4.27Å; F96-W188 HydrophobicContact CZ-CZ3 4.04Å; L100-W188 HydrophobicContact CD1-CE3 3.88Å; L100-W188 HydrophobicContact CD1-CZ3 4.06Å; L100-W188 HydrophobicContact CD2-CZ3 4.41Å; H119-W188 VanDerWaalsContact C-CH2 3.45Å; H119-W188 HydrophobicContact CB-CH2 3.85Å; H119-W188 HydrophobicContact CB-CZ3 4Å; H119-W188 WeakPolarHBondContact O-CH2 3.49Å; Y123-W188 HydrophobicContact CD1-CD2 4.18Å; Y123-W188 AromaticContact CD1-CE2 3.61Å; Y123-W188 HydrophobicContact CD1-CG 4.43Å; Y123-W188 AromaticContact CD1-CZ2 3.95Å; Y123-W188 HydrophobicContact CD1-CZ2 3.95Å; Y123-W188 AromaticContact CD1-NE1 3.51Å; Y123-W188 HydrophobicContact CD2-CB 3.93Å; Y123-W188 AromaticContact CD2-CD1 3.66Å; Y123-W188 AromaticContact CD2-CD2 3.38Å; Y123-W188 HydrophobicContact CD2-CD2 3.38Å; Y123-W188 AromaticContact CD2-CE2 3.73Å; Y123-W188 AromaticContact CD2-CE3 3.91Å; Y123-W188 HydrophobicContact CD2-CE3 3.91Å; Y123-W188 AromaticContact CD2-CG 3.36Å; Y123-W188 HydrophobicContact CD2-CG 3.36Å; Y123-W188 AromaticContact CD2-NE1 3.85Å; Y123-W188 AromaticContact CE1-CD1 3.73Å; Y123-W188 HydrophobicContact CE1-CG 4.4Å; Y123-W188 AromaticContact CE1-NE1 3.47Å; Y123-W188 HydrophobicContact CE2-CB 3.73Å; Y123-W188 AromaticContact CE2-CD1 3.31Å; Y123-W188 AromaticContact CE2-CD2 3.89Å; Y123-W188 HydrophobicContact CE2-CD2 3.89Å; Y123-W188 AromaticContact CE2-CG 3.33Å; Y123-W188 HydrophobicContact CE2-CG 3.33Å; Y123-W188 AromaticContact CE2-NE1 3.83Å; Y123-W188 AromaticContact CG-CD2 3.55Å; Y123-W188 HydrophobicContact CG-CD2 3.55Å; Y123-W188 AromaticContact CG-CE2 3.42Å; Y123-W188 VanDerWaalsContact CG-CE2 3.42Å; Y123-W188 HydrophobicContact CG-CE3 4.03Å; Y123-W188 AromaticContact CG-CG 3.94Å; Y123-W188 HydrophobicContact CG-CG 3.94Å; Y123-W188 HydrophobicContact CG-CH2 4.28Å; Y123-W188 AromaticContact CG-CZ2 3.82Å; Y123-W188 HydrophobicContact CG-CZ2 3.82Å; Y123-W188 HydrophobicContact CG-CZ3 4.37Å; Y123-W188 AromaticContact CG-NE1 3.69Å; Y123-W188 AromaticContact CZ-CD1 3.34Å; Y123-W188 AromaticContact CZ-CG 3.87Å; Y123-W188 AromaticContact CZ-NE1 3.63Å; F184-W188 WeakPolarHBondContact O-CB 2.89Å; F184-W188 PolarHBondContact O-N 2.91Å; E185-W188 PolarHBondContact O-N 3.38Å; W188-K190 VanDerWaalsContact C-N 3.27Å; W188-K190 PolarHBondContact O-N 2.94Å; W188-H191 PolarHBondContact O-N 3.45Å; W188-H192 HydrophobicContact CD2-CB 4.33Å; W188-H192 AromaticContact CE2-ND1 3.99Å; W188-H192 AromaticContact CH2-ND1 3.94Å; W188-H192 HydrophobicContact CZ2-CB 4.09Å; W188-H192 AromaticContact CZ2-CG 3.96Å; W188-H192 AromaticContact CZ2-ND1 3.36Å; W188-H192 WeakPolarHBondContact CZ2-ND1 3.44Å; W188-H192 WeakPolarHBondContact O-CB 3.47Å; W188-H192 PolarHBondContact O-N 3.46Å
189	C	89.9	Confident	87.9	Confident	72 Å²	72	60.7 Å²	60.7	49%	0.486	30%	0.304	S	S	.	.	H	α-helix	trans	-55.4	-43	177.7	-71.7	0	0	0	0	112.1	E185 F187 L193	E185-C189 PolarHBondContact O-N 3.01Å; E185-C189 PolarHBondContact O-SG 2.92Å; F187-C189 PolarHBondContact O-N 2.89Å; C189-L193 VanDerWaalsContact O-CB 3.26Å; C189-L193 WeakPolarHBondContact O-CB 3.38Å; C189-L193 PolarHBondContact O-N 2.91Å; C189-L193 VanDerWaalsContact O-N 3.11Å
190	K	87.5	Confident	88.7	Confident	155 Å²	155	58.1 Å²	58.1	67%	0.674	29%	0.291	S	S	*	.	H	α-helix	trans	-68.6	-45.2	177.9	-67.7	175.2	-176.8	176.4	0	111.8	Q186 F187 W188 K194	Q186-K190 WeakPolarHBondContact O-CG 3.35Å; Q186-K190 PolarHBondContact O-N 2.98Å; F187-K190 PolarHBondContact O-N 3.35Å; W188-K190 VanDerWaalsContact C-N 3.27Å; W188-K190 PolarHBondContact O-N 2.94Å; K190-K194 WeakPolarHBondContact O-CB 3.19Å; K190-K194 PolarHBondContact O-N 3.1Å
191	H	88.1	Confident	89.5	Confident	24 Å²	24	55.9 Å²	55.9	11%	0.111	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-47.5	179.9	-174.7	74.2	0	0	0	112.1	L100 H119 F187 W188 K194 L195	L100-H191 WeakPolarHBondContact CD2-NE2 3.48Å; L100-H191 PolarHBondContact O-CE1 3.24Å; L100-H191 VanDerWaalsContact O-CE1 3.25Å; H119-H191 AromaticContact CE1-NE2 3.83Å; H119-H191 AromaticContact ND1-NE2 3.45Å; H119-H191 PolarHBondContact ND1-NE2 3.11Å; F187-H191 HydrophobicContact CE1-CB 4.38Å; F187-H191 PolarHBondContact O-N 2.91Å; W188-H191 PolarHBondContact O-N 3.45Å; H191-K194 WeakPolarHBondContact O-CB 3.35Å; H191-K194 PolarHBondContact O-N 3.38Å; H191-L195 PolarHBondContact O-N 3.36Å
192	H	92.9	Very high	90.2	Very high	43 Å²	43	55.6 Å²	55.6	20%	0.199	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-48.7	178.1	-171.4	75.3	0	0	0	111.1	W188 K194 L195 E196	W188-H192 HydrophobicContact CD2-CB 4.33Å; W188-H192 AromaticContact CE2-ND1 3.99Å; W188-H192 AromaticContact CH2-ND1 3.94Å; W188-H192 HydrophobicContact CZ2-CB 4.09Å; W188-H192 AromaticContact CZ2-CG 3.96Å; W188-H192 AromaticContact CZ2-ND1 3.36Å; W188-H192 WeakPolarHBondContact CZ2-ND1 3.44Å; W188-H192 WeakPolarHBondContact O-CB 3.47Å; W188-H192 PolarHBondContact O-N 3.46Å; H192-K194 VanDerWaalsContact C-N 3.31Å; H192-K194 PolarHBondContact O-N 2.98Å; H192-L195 PolarHBondContact O-N 3.04Å; H192-L195 VanDerWaalsContact O-N 3.09Å; H192-E196 IonicContact CD2-OE1 3.02Å; H192-E196 IonicContact CD2-OE2 3.77Å; H192-E196 IonicContact NE2-OE1 2.73Å; H192-E196 PolarHBondContact NE2-OE1 2.85Å; H192-E196 WeakPolarHBondContact O-CG 3.41Å; H192-E196 PolarHBondContact O-N 2.99Å
193	L	93.1	Very high	90.9	Very high	88 Å²	88	54.9 Å²	54.9	46%	0.461	27%	0.269	S	S	.	.	H	α-helix	trans	-56.9	-44.3	175.4	177.7	63.3	0	0	0	111.8	C189 L195 E196 Q197	C189-L193 VanDerWaalsContact O-CB 3.26Å; C189-L193 WeakPolarHBondContact O-CB 3.38Å; C189-L193 PolarHBondContact O-N 2.91Å; C189-L193 VanDerWaalsContact O-N 3.11Å; L193-L195 VanDerWaalsContact C-N 3.32Å; L193-L195 PolarHBondContact O-N 2.98Å; L193-E196 PolarHBondContact O-N 2.88Å; L193-Q197 HydrophobicContact CD1-CG 4.32Å; L193-Q197 WeakPolarHBondContact O-CB 3.42Å; L193-Q197 VanDerWaalsContact O-CG 3.27Å; L193-Q197 WeakPolarHBondContact O-CG 3.34Å; L193-Q197 PolarHBondContact O-N 2.89Å
194	K	91.3	Very high	91.7	Very high	103 Å²	103	52.2 Å²	52.2	45%	0.448	25%	0.247	S	C	.	.	H	α-helix	trans	-62.5	-39.1	177.5	-171.8	-179.2	-177.8	-173.5	0	111.8	K190 H191 H192 C198 Y272	K190-K194 WeakPolarHBondContact O-CB 3.19Å; K190-K194 PolarHBondContact O-N 3.1Å; H191-K194 WeakPolarHBondContact O-CB 3.35Å; H191-K194 PolarHBondContact O-N 3.38Å; H192-K194 VanDerWaalsContact C-N 3.31Å; H192-K194 PolarHBondContact O-N 2.98Å; K194-C198 WeakPolarHBondContact O-CB 3.4Å; K194-C198 PolarHBondContact O-N 3.23Å; K194-Y272 HydrophobicContact CG-CD1 4.24Å; K194-Y272 HydrophobicContact CG-CE1 4.5Å
195	L	92.6	Very high	92.3	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-71.3	-39.6	179.1	-141.3	92.9	0	0	0	112	L105 L115 L116 H191 H192 L193 C198 L199	L105-L195 HydrophobicContact CD2-CD1 3.63Å; L115-L195 HydrophobicContact CD2-CD1 4.08Å; L115-L195 HydrophobicContact CD2-CD2 4.43Å; L115-L195 HydrophobicContact CG-CD2 4.27Å; L116-L195 HydrophobicContact CB-CD2 3.73Å; L116-L195 HydrophobicContact CD1-CB 4.11Å; L116-L195 HydrophobicContact CD1-CD2 3.64Å; L116-L195 HydrophobicContact CD1-CG 4.43Å; L116-L195 HydrophobicContact CG-CD2 4.3Å; H191-L195 PolarHBondContact O-N 3.36Å; H192-L195 PolarHBondContact O-N 3.04Å; H192-L195 VanDerWaalsContact O-N 3.09Å; L193-L195 VanDerWaalsContact C-N 3.32Å; L193-L195 PolarHBondContact O-N 2.98Å; L195-C198 WeakPolarHBondContact O-CA 3.24Å; L195-C198 VanDerWaalsContact O-CB 3.29Å; L195-C198 WeakPolarHBondContact O-CB 3.14Å; L195-C198 PolarHBondContact O-N 3.29Å; L195-C198 VanDerWaalsContact O-N 3.14Å; L195-L199 PolarHBondContact O-N 2.93Å
196	E	95.1	Very high	92.7	Very high	78 Å²	78	53.8 Å²	53.8	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-62.2	-46	172	-73	-174.1	134.7	0	0	111.5	L116 H192 L193 C198 L199 Q200	L116-E196 HydrophobicContact CD1-CG 4.23Å; L116-E196 HydrophobicContact CD2-CG 4.38Å; H192-E196 IonicContact CD2-OE1 3.02Å; H192-E196 IonicContact CD2-OE2 3.77Å; H192-E196 IonicContact NE2-OE1 2.73Å; H192-E196 PolarHBondContact NE2-OE1 2.85Å; H192-E196 WeakPolarHBondContact O-CG 3.41Å; H192-E196 PolarHBondContact O-N 2.99Å; L193-E196 PolarHBondContact O-N 2.88Å; E196-C198 PolarHBondContact O-N 2.94Å; E196-L199 WeakPolarHBondContact O-CB 3.43Å; E196-L199 PolarHBondContact O-N 2.72Å; E196-L199 VanDerWaalsContact O-N 3.12Å; E196-Q200 WeakPolarHBondContact O-CG 3.49Å; E196-Q200 PolarHBondContact O-N 3.06Å
197	Q	95.4	Very high	93.3	Very high	22 Å²	22	50.5 Å²	50.5	10%	0.103	24%	0.241	C	C	.	.	H	α-helix	trans	-60.1	-35.2	172.1	-75.7	-176.7	-8.6	0	0	111.2	L193 L199 Q200 L201 H271 Y272	L193-Q197 HydrophobicContact CD1-CG 4.32Å; L193-Q197 WeakPolarHBondContact O-CB 3.42Å; L193-Q197 VanDerWaalsContact O-CG 3.27Å; L193-Q197 WeakPolarHBondContact O-CG 3.34Å; L193-Q197 PolarHBondContact O-N 2.89Å; Q197-L199 VanDerWaalsContact C-N 3.34Å; Q197-L199 PolarHBondContact O-N 3.16Å; Q197-Q200 PolarHBondContact O-N 3.46Å; Q197-L201 WeakPolarHBondContact O-CB 3.44Å; Q197-L201 PolarHBondContact O-N 2.87Å; Q197-H271 WeakPolarHBondContact CA-NE2 3.44Å; Q197-H271 WeakPolarHBondContact CB-NE2 3.36Å; Q197-H271 PolarHBondContact O-CE1 3.13Å; Q197-H271 PolarHBondContact O-NE2 3.36Å; Q197-Y272 HydrophobicContact CB-CD1 3.58Å; Q197-Y272 HydrophobicContact CB-CE1 3.72Å
198	C	94.9	Very high	93.9	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.007	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-44.6	174.8	-172.1	0	0	0	0	110.7	L105 T112 K194 L195 E196 L201 R202 Y272	L105-C198 HydrophobicContact CD1-CB 4.28Å; L105-C198 HydrophobicContact CD2-CB 4.15Å; T112-C198 HydrophobicContact CG2-CB 4.23Å; K194-C198 WeakPolarHBondContact O-CB 3.4Å; K194-C198 PolarHBondContact O-N 3.23Å; L195-C198 WeakPolarHBondContact O-CA 3.24Å; L195-C198 VanDerWaalsContact O-CB 3.29Å; L195-C198 WeakPolarHBondContact O-CB 3.14Å; L195-C198 PolarHBondContact O-N 3.29Å; L195-C198 VanDerWaalsContact O-N 3.14Å; E196-C198 PolarHBondContact O-N 2.94Å; C198-L201 WeakPolarHBondContact O-CB 3.38Å; C198-L201 PolarHBondContact O-N 3.28Å; C198-R202 WeakPolarHBondContact O-CG 3.47Å; C198-R202 PolarHBondContact O-N 2.93Å; C198-Y272 WeakPolarHBondContact CA-OH 3.21Å; C198-Y272 HydrophobicContact CB-CE1 4.22Å
199	L	95.7	Very high	94.2	Very high	27 Å²	27	53.1 Å²	53.1	14%	0.141	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-43.1	176.3	-179.1	57.5	0	0	0	112.2	V109 T112 K113 L116 L195 E196 Q197 L201 R202 H203	V109-L199 HydrophobicContact CG1-CD1 4.16Å; T112-L199 HydrophobicContact CG2-CB 3.85Å; T112-L199 HydrophobicContact CG2-CD1 4.31Å; K113-L199 HydrophobicContact CD-CD1 4.42Å; K113-L199 HydrophobicContact CG-CD1 3.59Å; K113-L199 HydrophobicContact CG-CD2 3.82Å; K113-L199 HydrophobicContact CG-CG 4.38Å; L116-L199 HydrophobicContact CD2-CD2 4.1Å; L195-L199 PolarHBondContact O-N 2.93Å; E196-L199 WeakPolarHBondContact O-CB 3.43Å; E196-L199 PolarHBondContact O-N 2.72Å; E196-L199 VanDerWaalsContact O-N 3.12Å; Q197-L199 VanDerWaalsContact C-N 3.34Å; Q197-L199 PolarHBondContact O-N 3.16Å; L199-L201 VanDerWaalsContact C-N 3.33Å; L199-L201 PolarHBondContact O-N 3.37Å; L199-R202 PolarHBondContact O-N 2.89Å; L199-H203 PolarHBondContact O-CD2 3.12Å; L199-H203 PolarHBondContact O-N 3.17Å
200	Q	96.1	Very high	94.4	Very high	84 Å²	84	54.3 Å²	54.3	39%	0.393	25%	0.247	S	C	.	.	H	α-helix	trans	-57.5	-46.3	173.8	-72.1	175.5	-7.4	0	0	111.3	E196 Q197 H203 F204	E196-Q200 WeakPolarHBondContact O-CG 3.49Å; E196-Q200 PolarHBondContact O-N 3.06Å; Q197-Q200 PolarHBondContact O-N 3.46Å; Q200-H203 PolarHBondContact O-N 2.87Å; Q200-F204 VanDerWaalsContact O-CB 3.31Å; Q200-F204 WeakPolarHBondContact O-CB 3.41Å; Q200-F204 PolarHBondContact O-N 2.91Å
201	L	96.4	Very high	94.9	Very high	5 Å²	5	47 Å²	47	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-60.7	-44.9	175.5	176.2	66.2	0	0	0	112	Q197 C198 L199 H203 F204 E205 A273 I277	Q197-L201 WeakPolarHBondContact O-CB 3.44Å; Q197-L201 PolarHBondContact O-N 2.87Å; C198-L201 WeakPolarHBondContact O-CB 3.38Å; C198-L201 PolarHBondContact O-N 3.28Å; L199-L201 VanDerWaalsContact C-N 3.33Å; L199-L201 PolarHBondContact O-N 3.37Å; L201-H203 VanDerWaalsContact C-N 3.33Å; L201-H203 PolarHBondContact O-N 3.34Å; L201-F204 PolarHBondContact O-N 3.45Å; L201-E205 HydrophobicContact CD1-CG 4.02Å; L201-E205 HydrophobicContact CG-CG 4.39Å; L201-E205 WeakPolarHBondContact O-CB 3.46Å; L201-E205 WeakPolarHBondContact O-CG 3.32Å; L201-E205 PolarHBondContact O-N 3.14Å; L201-A273 HydrophobicContact CD1-CB 4.25Å; L201-A273 HydrophobicContact CD2-CB 3.61Å; L201-A273 HydrophobicContact CG-CB 4.45Å; L201-I277 HydrophobicContact CD1-CD1 4.29Å; L201-I277 HydrophobicContact CD1-CG1 3.75Å
202	R	96.2	Very high	95.2	Very high	32 Å²	32	48.8 Å²	48.8	12%	0.121	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-43.4	179.1	-64.8	-53.3	100.4	-164.3	3.3	111.4	N107 V109 C198 L199 E205 Q206	N107-R202 VanDerWaalsContact O-CD 3.22Å; N107-R202 WeakPolarHBondContact O-CD 3.25Å; N107-R202 PolarHBondContact O-NH1 2.95Å; V109-R202 HydrophobicContact CG2-CB 3.66Å; C198-R202 WeakPolarHBondContact O-CG 3.47Å; C198-R202 PolarHBondContact O-N 2.93Å; L199-R202 PolarHBondContact O-N 2.89Å; R202-E205 IonicContact CZ-OE2 2.7Å; R202-E205 IonicContact NH1-OE2 2.86Å; R202-E205 PolarHBondContact NH1-OE2 3.39Å; R202-E205 IonicContact NH2-OE2 2.6Å; R202-E205 PolarHBondContact NH2-OE2 3.49Å; R202-E205 PolarHBondContact O-N 3.35Å; R202-Q206 WeakPolarHBondContact O-CB 3.3Å; R202-Q206 PolarHBondContact O-N 3.27Å
203	H	96.3	Very high	95.4	Very high	62 Å²	62	51.1 Å²	51.1	29%	0.287	24%	0.24	S	C	.	.	H	α-helix	trans	-62.3	-48.2	174.1	-86.3	-63.1	0	0	0	111.7	V109 K113 L199 Q200 L201 E205 Q206 D207	V109-H203 VanDerWaalsContact CG1-CE1 3.4Å; V109-H203 WeakPolarHBondContact CG1-CE1 3.4Å; V109-H203 WeakPolarHBondContact CG1-NE2 3.34Å; K113-H203 VanDerWaalsContact CE-NE2 3.28Å; K113-H203 WeakPolarHBondContact CE-NE2 3.23Å; K113-H203 PolarHBondContact NZ-NE2 3.16Å; L199-H203 PolarHBondContact O-CD2 3.12Å; L199-H203 PolarHBondContact O-N 3.17Å; Q200-H203 PolarHBondContact O-N 2.87Å; L201-H203 VanDerWaalsContact C-N 3.33Å; L201-H203 PolarHBondContact O-N 3.34Å; H203-E205 VanDerWaalsContact C-N 3.31Å; H203-E205 PolarHBondContact O-N 3.06Å; H203-Q206 PolarHBondContact O-N 3.17Å; H203-Q206 VanDerWaalsContact O-N 3.16Å; H203-D207 PolarHBondContact O-N 2.68Å
204	F	97.1	Very high	95.5	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-56.6	-44.1	177.7	178.5	-91.3	0	0	0	112.4	Q200 L201 F208 H259 L266 I277 K280	Q200-F204 VanDerWaalsContact O-CB 3.31Å; Q200-F204 WeakPolarHBondContact O-CB 3.41Å; Q200-F204 PolarHBondContact O-N 2.91Å; L201-F204 PolarHBondContact O-N 3.45Å; F204-F208 WeakPolarHBondContact O-CB 3.25Å; F204-F208 PolarHBondContact O-N 2.66Å; F204-H259 AromaticContact CD2-CD2 3.92Å; F204-H259 AromaticContact CD2-CE1 3.53Å; F204-H259 AromaticContact CD2-NE2 3.27Å; F204-H259 VanDerWaalsContact CD2-NE2 3.27Å; F204-H259 WeakPolarHBondContact CD2-NE2 3.41Å; F204-H259 AromaticContact CE2-CD2 3.64Å; F204-H259 AromaticContact CE2-NE2 3.49Å; F204-H259 WeakPolarHBondContact CE2-NE2 3.42Å; F204-H259 AromaticContact CG-NE2 3.74Å; F204-H259 PolarHBondContact O-NE2 3.28Å; F204-L266 HydrophobicContact CD2-CD1 4.39Å; F204-I277 HydrophobicContact CD1-CG1 4.42Å; F204-I277 HydrophobicContact CE1-CB 4.43Å; F204-I277 HydrophobicContact CE1-CG1 4.47Å; F204-I277 HydrophobicContact CE1-CG2 3.99Å; F204-I277 HydrophobicContact CE2-CG2 4.41Å; F204-I277 HydrophobicContact CZ-CG2 3.91Å; F204-K280 HydrophobicContact CD1-CD 4.47Å; F204-K280 HydrophobicContact CE1-CB 3.89Å; F204-K280 HydrophobicContact CE1-CD 4.01Å; F204-K280 HydrophobicContact CZ-CB 4.34Å
205	E	95.6	Very high	95.7	Very high	19 Å²	19	44.4 Å²	44.4	9%	0.089	21%	0.211	C	C	.	.	H	α-helix	trans	-69.6	-34.5	178.5	-71.6	-173.8	155.6	0	0	113	L201 R202 H203 R209 S276 K280	L201-E205 HydrophobicContact CD1-CG 4.02Å; L201-E205 HydrophobicContact CG-CG 4.39Å; L201-E205 WeakPolarHBondContact O-CB 3.46Å; L201-E205 WeakPolarHBondContact O-CG 3.32Å; L201-E205 PolarHBondContact O-N 3.14Å; R202-E205 IonicContact CZ-OE2 2.7Å; R202-E205 IonicContact NH1-OE2 2.86Å; R202-E205 PolarHBondContact NH1-OE2 3.39Å; R202-E205 IonicContact NH2-OE2 2.6Å; R202-E205 PolarHBondContact NH2-OE2 3.49Å; R202-E205 PolarHBondContact O-N 3.35Å; H203-E205 VanDerWaalsContact C-N 3.31Å; H203-E205 PolarHBondContact O-N 3.06Å; E205-R209 WeakPolarHBondContact O-CG 3.25Å; E205-R209 PolarHBondContact O-N 2.89Å; E205-R209 VanDerWaalsContact O-N 3.13Å; E205-R209 PolarHBondContact O-NE 3.24Å; E205-S276 PolarHBondContact OE1-OG 3.4Å; E205-K280 HydrophobicContact CG-CD 4.23Å; E205-K280 IonicContact OE1-NZ 2.66Å; E205-K280 PolarHBondContact OE1-NZ 3.27Å
206	Q	95	Very high	95.9	Very high	89 Å²	89	47.3 Å²	47.3	42%	0.416	23%	0.227	S	C	.	.	H	α-helix	trans	-65.7	-50.9	174.2	179.3	174.6	-12.9	0	0	111.2	V109 R202 H203 F208 R209 E210	V109-Q206 VanDerWaalsContact CG2-OE1 3.3Å; R202-Q206 WeakPolarHBondContact O-CB 3.3Å; R202-Q206 PolarHBondContact O-N 3.27Å; H203-Q206 PolarHBondContact O-N 3.17Å; H203-Q206 VanDerWaalsContact O-N 3.16Å; Q206-F208 VanDerWaalsContact C-N 3.32Å; Q206-F208 PolarHBondContact O-N 3.36Å; Q206-R209 PolarHBondContact O-N 3.41Å; Q206-R209 VanDerWaalsContact O-N 3.16Å; Q206-E210 PolarHBondContact O-N 3.28Å
207	D	95.3	Very high	95.9	Very high	56 Å²	56	47.2 Å²	47.2	30%	0.299	23%	0.232	S	C	.	.	H	α-helix	trans	-63	-40.3	179.5	-68.6	-18.3	0	0	0	111.3	H203 R209 E210 V211 H259	H203-D207 PolarHBondContact O-N 2.68Å; D207-R209 VanDerWaalsContact C-N 3.35Å; D207-R209 PolarHBondContact O-N 3.36Å; D207-E210 PolarHBondContact O-N 3.08Å; D207-V211 WeakPolarHBondContact O-CB 3.45Å; D207-V211 VanDerWaalsContact O-CG2 3.3Å; D207-V211 WeakPolarHBondContact O-CG2 3.48Å; D207-V211 PolarHBondContact O-N 3.3Å; D207-H259 WeakPolarHBondContact CB-CE1 3.48Å; D207-H259 IonicContact OD2-CE1 3.26Å
208	F	97.3	Very high	95.8	Very high	14 Å²	14	50.1 Å²	50.1	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-55.8	-48.5	173.1	167.1	-94.4	0	0	0	111.5	F204 Q206 V211 K212 K280 E283 L284	F204-F208 WeakPolarHBondContact O-CB 3.25Å; F204-F208 PolarHBondContact O-N 2.66Å; Q206-F208 VanDerWaalsContact C-N 3.32Å; Q206-F208 PolarHBondContact O-N 3.36Å; F208-V211 PolarHBondContact O-N 3.06Å; F208-K212 HydrophobicContact CE1-CD 4.13Å; F208-K212 HydrophobicContact CZ-CD 3.95Å; F208-K212 WeakPolarHBondContact O-CB 3.43Å; F208-K212 PolarHBondContact O-N 3.14Å; F208-K280 HydrophobicContact CD1-CD 3.94Å; F208-K280 HydrophobicContact CD1-CG 4.31Å; F208-K280 HydrophobicContact CD2-CB 3.72Å; F208-K280 HydrophobicContact CD2-CD 4.37Å; F208-K280 HydrophobicContact CD2-CG 4.21Å; F208-K280 HydrophobicContact CE1-CD 4.24Å; F208-K280 HydrophobicContact CE1-CG 4.19Å; F208-K280 HydrophobicContact CE2-CB 3.72Å; F208-K280 HydrophobicContact CE2-CG 4.08Å; F208-K280 HydrophobicContact CG-CB 4.23Å; F208-K280 HydrophobicContact CG-CD 4.01Å; F208-K280 HydrophobicContact CG-CG 4.32Å; F208-K280 HydrophobicContact CZ-CB 4.23Å; F208-K280 HydrophobicContact CZ-CG 4.08Å; F208-E283 HydrophobicContact CE2-CB 4.38Å; F208-E283 HydrophobicContact CE2-CG 4.48Å; F208-E283 HydrophobicContact CZ-CG 4.38Å; F208-E283 WeakPolarHBondContact CZ-OE2 3.46Å; F208-L284 HydrophobicContact CD2-CD1 3.86Å; F208-L284 HydrophobicContact CD2-CD2 3.86Å; F208-L284 HydrophobicContact CD2-CG 3.64Å; F208-L284 HydrophobicContact CE2-CD2 4.03Å; F208-L284 HydrophobicContact CE2-CG 3.83Å
209	R	95.9	Very high	95.9	Very high	138 Å²	138	51 Å²	51	52%	0.521	25%	0.246	S	C	.	.	H	α-helix	trans	-62.3	-44.2	179.3	-77.8	-175.8	-67.6	-120	-1.5	111.8	E205 Q206 D207 K212 V213	E205-R209 WeakPolarHBondContact O-CG 3.25Å; E205-R209 PolarHBondContact O-N 2.89Å; E205-R209 VanDerWaalsContact O-N 3.13Å; E205-R209 PolarHBondContact O-NE 3.24Å; Q206-R209 PolarHBondContact O-N 3.41Å; Q206-R209 VanDerWaalsContact O-N 3.16Å; D207-R209 VanDerWaalsContact C-N 3.35Å; D207-R209 PolarHBondContact O-N 3.36Å; R209-K212 PolarHBondContact O-N 2.94Å; R209-V213 WeakPolarHBondContact O-CB 3.15Å; R209-V213 VanDerWaalsContact O-CG2 3.28Å; R209-V213 WeakPolarHBondContact O-CG2 3.38Å; R209-V213 PolarHBondContact O-N 3.47Å
210	E	95.4	Very high	95.9	Very high	98 Å²	98	54.8 Å²	54.8	46%	0.458	27%	0.266	S	S	.	.	H	α-helix	trans	-61.8	-48.9	179.4	-173.7	-165.4	124.8	0	0	111.8	Q206 D207 T214 K255	Q206-E210 PolarHBondContact O-N 3.28Å; D207-E210 PolarHBondContact O-N 3.08Å; E210-T214 PolarHBondContact O-N 3.39Å; E210-T214 VanDerWaalsContact O-N 3.14Å; E210-T214 PolarHBondContact O-OG1 3.21Å; E210-K255 IonicContact OE1-NZ 3.83Å; E210-K255 PolarHBondContact OE1-NZ 3.36Å
211	V	96.9	Very high	95.8	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-46	179	171.8	0	0	0	0	110.6	D207 F208 T214 L215 T252 K255 A256 L284	D207-V211 WeakPolarHBondContact O-CB 3.45Å; D207-V211 VanDerWaalsContact O-CG2 3.3Å; D207-V211 WeakPolarHBondContact O-CG2 3.48Å; D207-V211 PolarHBondContact O-N 3.3Å; F208-V211 PolarHBondContact O-N 3.06Å; V211-T214 PolarHBondContact O-N 2.98Å; V211-L215 HydrophobicContact CG1-CD1 3.97Å; V211-L215 HydrophobicContact CG1-CG 4.4Å; V211-L215 WeakPolarHBondContact O-CG 3.46Å; V211-L215 PolarHBondContact O-N 3.42Å; V211-T252 HydrophobicContact CG1-CG2 4.47Å; V211-K255 HydrophobicContact CG2-CD 3.74Å; V211-K255 HydrophobicContact CG2-CG 3.87Å; V211-A256 HydrophobicContact CG1-CB 3.56Å; V211-L284 HydrophobicContact CG1-CD2 3.96Å
212	K	95.7	Very high	95.8	Very high	61 Å²	61	53 Å²	53	27%	0.265	26%	0.263	S	S	.	.	H	α-helix	trans	-59.2	-51	179.9	-176	-176	175.2	174.1	0	111.8	F208 R209 T214 L215 D216 E283	F208-K212 HydrophobicContact CE1-CD 4.13Å; F208-K212 HydrophobicContact CZ-CD 3.95Å; F208-K212 WeakPolarHBondContact O-CB 3.43Å; F208-K212 PolarHBondContact O-N 3.14Å; R209-K212 PolarHBondContact O-N 2.94Å; K212-T214 PolarHBondContact O-N 3.48Å; K212-L215 PolarHBondContact O-N 3.31Å; K212-L215 VanDerWaalsContact O-N 3.13Å; K212-D216 WeakPolarHBondContact CE-OD2 3.43Å; K212-D216 WeakPolarHBondContact O-CB 3.46Å; K212-D216 PolarHBondContact O-N 2.91Å; K212-E283 VanDerWaalsContact CE-OE1 3.27Å; K212-E283 WeakPolarHBondContact CE-OE1 3.46Å; K212-E283 IonicContact NZ-OE1 3.22Å; K212-E283 PolarHBondContact NZ-OE1 2.79Å
213	V	96.3	Very high	95.6	Very high	91 Å²	91	57.6 Å²	57.6	55%	0.552	28%	0.284	S	S	*	.	H	α-helix	trans	-58.3	-39.4	178.9	169	0	0	0	0	111.2	R209 T217	R209-V213 WeakPolarHBondContact O-CB 3.15Å; R209-V213 VanDerWaalsContact O-CG2 3.28Å; R209-V213 WeakPolarHBondContact O-CG2 3.38Å; R209-V213 PolarHBondContact O-N 3.47Å; V213-T217 WeakPolarHBondContact O-CB 3.4Å; V213-T217 PolarHBondContact O-N 3.25Å; V213-T217 PolarHBondContact O-OG1 2.88Å
214	T	95.5	Very high	95.4	Very high	49 Å²	49	57.8 Å²	57.8	30%	0.301	30%	0.304	S	S	.	.	H	α-helix	trans	-65.8	-45.4	177.4	-54	0	0	0	0	111.4	E210 V211 K212 T217 R218 T252	E210-T214 PolarHBondContact O-N 3.39Å; E210-T214 VanDerWaalsContact O-N 3.14Å; E210-T214 PolarHBondContact O-OG1 3.21Å; V211-T214 PolarHBondContact O-N 2.98Å; K212-T214 PolarHBondContact O-N 3.48Å; T214-T217 PolarHBondContact O-N 3.43Å; T214-R218 VanDerWaalsContact O-CG 3.24Å; T214-R218 WeakPolarHBondContact O-CG 3.35Å; T214-R218 PolarHBondContact O-N 2.86Å; T214-R218 VanDerWaalsContact O-N 3.09Å; T214-T252 HydrophobicContact CG2-CG2 3.78Å
215	L	96.1	Very high	95.2	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-42.7	177.2	-72.7	175.7	0	0	0	112.3	V211 K212 T217 R218 M219 V249 T252 L253 A256 V287	V211-L215 HydrophobicContact CG1-CD1 3.97Å; V211-L215 HydrophobicContact CG1-CG 4.4Å; V211-L215 WeakPolarHBondContact O-CG 3.46Å; V211-L215 PolarHBondContact O-N 3.42Å; K212-L215 PolarHBondContact O-N 3.31Å; K212-L215 VanDerWaalsContact O-N 3.13Å; L215-T217 VanDerWaalsContact C-N 3.33Å; L215-T217 PolarHBondContact O-N 3.5Å; L215-R218 CarbonylContact O-C 3.55Å; L215-R218 PolarHBondContact O-N 3.26Å; L215-R218 VanDerWaalsContact O-N 3.14Å; L215-M219 WeakPolarHBondContact O-CB 3.35Å; L215-M219 PolarHBondContact O-N 2.86Å; L215-V249 HydrophobicContact CD2-CG2 3.98Å; L215-T252 HydrophobicContact CD2-CG2 3.64Å; L215-T252 HydrophobicContact CG-CG2 3.78Å; L215-L253 HydrophobicContact CD2-CD2 3.79Å; L215-L253 HydrophobicContact CD2-CG 4.37Å; L215-A256 HydrophobicContact CD1-CB 3.87Å; L215-V287 HydrophobicContact CB-CG1 3.77Å; L215-V287 HydrophobicContact CD1-CG1 3.88Å; L215-V287 HydrophobicContact CG-CG1 4.43Å
216	D	95.1	Very high	94.9	Very high	64 Å²	64	61.2 Å²	61.2	34%	0.342	33%	0.327	S	S	.	.	H	α-helix	trans	-59.8	-45	176.7	-72.3	-21.1	0	0	0	110.5	K212 R218 M219 D220	K212-D216 WeakPolarHBondContact CE-OD2 3.43Å; K212-D216 WeakPolarHBondContact O-CB 3.46Å; K212-D216 PolarHBondContact O-N 2.91Å; D216-R218 VanDerWaalsContact C-N 3.29Å; D216-R218 PolarHBondContact O-N 3.45Å; D216-M219 WeakPolarHBondContact O-CB 3.28Å; D216-M219 PolarHBondContact O-N 3.33Å; D216-D220 PolarHBondContact O-N 3.04Å
217	T	95.3	Very high	94.3	Very high	76 Å²	76	60.8 Å²	60.8	47%	0.466	33%	0.327	S	S	.	.	H	α-helix	trans	-61	-38.1	176.2	-55.5	0	0	0	0	112.1	V213 T214 L215 S221	V213-T217 WeakPolarHBondContact O-CB 3.4Å; V213-T217 PolarHBondContact O-N 3.25Å; V213-T217 PolarHBondContact O-OG1 2.88Å; T214-T217 PolarHBondContact O-N 3.43Å; L215-T217 VanDerWaalsContact C-N 3.33Å; L215-T217 PolarHBondContact O-N 3.5Å; T217-S221 PolarHBondContact O-N 2.89Å; T217-S221 VanDerWaalsContact O-N 3.08Å; T217-S221 PolarHBondContact O-OG 3.23Å
218	R	94.5	Very high	93.7	Very high	83 Å²	83	59.2 Å²	59.2	31%	0.313	32%	0.322	S	S	.	.	H	α-helix	trans	-73.2	-38.1	177.4	-66.6	-69.3	178.1	-141.3	-3.3	111.8	T214 L215 D216 D220 S221 L222 V249 F291	T214-R218 VanDerWaalsContact O-CG 3.24Å; T214-R218 WeakPolarHBondContact O-CG 3.35Å; T214-R218 PolarHBondContact O-N 2.86Å; T214-R218 VanDerWaalsContact O-N 3.09Å; L215-R218 CarbonylContact O-C 3.55Å; L215-R218 PolarHBondContact O-N 3.26Å; L215-R218 VanDerWaalsContact O-N 3.14Å; D216-R218 VanDerWaalsContact C-N 3.29Å; D216-R218 PolarHBondContact O-N 3.45Å; R218-D220 VanDerWaalsContact C-N 3.34Å; R218-S221 WeakPolarHBondContact O-CB 3.42Å; R218-S221 PolarHBondContact O-N 2.73Å; R218-L222 WeakPolarHBondContact O-CB 3.45Å; R218-L222 PolarHBondContact O-N 2.54Å; R218-V249 HydrophobicContact CB-CG2 3.85Å; R218-V249 HydrophobicContact CG-CB 4.49Å; R218-V249 HydrophobicContact CG-CG2 3.96Å; R218-F291 HydrophobicContact CB-CE2 4.05Å
219	M	96.3	Very high	93.1	Very high	19 Å²	19	59 Å²	59	9%	0.094	32%	0.324	C	S	.	.	H	α-helix	trans	-61.2	-43.1	173.1	177.6	64.3	79	0	0	111	L215 D216 S221 L222 K223 D290 F291	L215-M219 WeakPolarHBondContact O-CB 3.35Å; L215-M219 PolarHBondContact O-N 2.86Å; D216-M219 WeakPolarHBondContact O-CB 3.28Å; D216-M219 PolarHBondContact O-N 3.33Å; M219-S221 VanDerWaalsContact C-N 3.34Å; M219-S221 PolarHBondContact O-N 2.91Å; M219-L222 WeakPolarHBondContact O-CB 3.35Å; M219-L222 PolarHBondContact O-N 3.02Å; M219-L222 HydrophobicContact SD-CD2 4.45Å; M219-K223 HydrophobicContact CG-CD 4.3Å; M219-K223 WeakPolarHBondContact O-CG 3.45Å; M219-K223 PolarHBondContact O-N 2.83Å; M219-K223 HydrophobicContact SD-CD 4.46Å; M219-K223 HydrophobicContact SD-CG 4.44Å; M219-D290 HydrophobicContact CE-CB 4.07Å; M219-F291 HydrophobicContact CB-CD2 4.37Å; M219-F291 HydrophobicContact CE-CB 3.8Å; M219-F291 HydrophobicContact CE-CD2 4.2Å; M219-F291 HydrophobicContact CE-CG 4.47Å; M219-F291 HydrophobicContact SD-CD2 4.47Å
220	D	95.3	Very high	92.6	Very high	106 Å²	106	58.6 Å²	58.6	57%	0.567	33%	0.332	S	S	*	.	H	α-helix	trans	-64.2	-40.4	175.1	-72.3	-19	0	0	0	111.6	D216 R218 L222 K223 G224	D216-D220 PolarHBondContact O-N 3.04Å; R218-D220 VanDerWaalsContact C-N 3.34Å; D220-L222 VanDerWaalsContact C-N 3.33Å; D220-L222 PolarHBondContact O-N 3.28Å; D220-K223 PolarHBondContact O-N 3.33Å; D220-G224 PolarHBondContact O-N 3.19Å
221	S	94.4	Very high	92.3	Very high	51 Å²	51	56.6 Å²	56.6	36%	0.357	33%	0.329	S	S	.	.	H	α-helix	trans	-61.2	-42	173.4	-56	0	0	0	0	111.6	T217 R218 M219 G224 L225	T217-S221 PolarHBondContact O-N 2.89Å; T217-S221 VanDerWaalsContact O-N 3.08Å; T217-S221 PolarHBondContact O-OG 3.23Å; R218-S221 WeakPolarHBondContact O-CB 3.42Å; R218-S221 PolarHBondContact O-N 2.73Å; M219-S221 VanDerWaalsContact C-N 3.34Å; M219-S221 PolarHBondContact O-N 2.91Å; S221-G224 PolarHBondContact O-N 3.27Å; S221-L225 PolarHBondContact O-N 3.23Å
222	L	95.8	Very high	92.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-47.1	177.8	177.9	64.3	0	0	0	111.2	R218 M219 D220 G224 L225 L242 L245 F291 E294 A295 K298	R218-L222 WeakPolarHBondContact O-CB 3.45Å; R218-L222 PolarHBondContact O-N 2.54Å; M219-L222 WeakPolarHBondContact O-CB 3.35Å; M219-L222 PolarHBondContact O-N 3.02Å; M219-L222 HydrophobicContact SD-CD2 4.45Å; D220-L222 VanDerWaalsContact C-N 3.33Å; D220-L222 PolarHBondContact O-N 3.28Å; L222-G224 VanDerWaalsContact C-N 3.28Å; L222-G224 PolarHBondContact O-N 3.47Å; L222-L225 HydrophobicContact CD1-CD1 4.36Å; L222-L225 WeakPolarHBondContact O-CB 3.37Å; L222-L225 PolarHBondContact O-N 3.02Å; L222-L242 HydrophobicContact CD1-CD1 3.4Å; L222-L245 HydrophobicContact CB-CD2 3.79Å; L222-L245 HydrophobicContact CD1-CD2 4.02Å; L222-F291 HydrophobicContact CB-CE2 4.09Å; L222-F291 HydrophobicContact CD2-CD2 4.05Å; L222-F291 HydrophobicContact CD2-CE1 4.49Å; L222-F291 HydrophobicContact CD2-CE2 3.81Å; L222-F291 HydrophobicContact CD2-CZ 4.04Å; L222-E294 HydrophobicContact CD2-CB 3.91Å; L222-E294 HydrophobicContact CD2-CG 4.04Å; L222-E294 HydrophobicContact CG-CG 4.48Å; L222-A295 HydrophobicContact CD1-CB 4.34Å; L222-A295 HydrophobicContact CD2-CB 4.03Å; L222-K298 HydrophobicContact CD1-CD 4.23Å; L222-K298 VanDerWaalsContact O-CE 3.31Å; L222-K298 WeakPolarHBondContact O-CE 3.35Å; L222-K298 PolarHBondContact O-NZ 3.03Å
223	K	93.3	Very high	92	Very high	129 Å²	129	57.8 Å²	57.8	56%	0.561	35%	0.348	S	S	*	.	H	α-helix	trans	-63.7	-33.7	176.6	-72.9	175.4	-179.2	171.3	0	112.3	M219 D220 L225	M219-K223 HydrophobicContact CG-CD 4.3Å; M219-K223 WeakPolarHBondContact O-CG 3.45Å; M219-K223 PolarHBondContact O-N 2.83Å; M219-K223 HydrophobicContact SD-CD 4.46Å; M219-K223 HydrophobicContact SD-CG 4.44Å; D220-K223 PolarHBondContact O-N 3.33Å; K223-L225 VanDerWaalsContact C-N 3.31Å; K223-L225 PolarHBondContact O-N 3.47Å
224	G	92.4	Very high	91.9	Very high	67 Å²	67	58.6 Å²	58.6	69%	0.691	34%	0.341	S	S	*	.	H	α-helix	trans	-71.8	-17.6	176.9	0	0	0	0	0	115.1	D220 S221 L222	D220-G224 PolarHBondContact O-N 3.19Å; S221-G224 PolarHBondContact O-N 3.27Å; L222-G224 VanDerWaalsContact C-N 3.28Å; L222-G224 PolarHBondContact O-N 3.47Å
225	L	92	Very high	91.8	Very high	33 Å²	33	56.3 Å²	56.3	17%	0.173	33%	0.327	C	S	.	.	S	Bend	trans	-64.7	139.3	173.3	-71.2	170.3	0	0	0	110.6	S221 L222 K223 E241 L242 L245 K298	S221-L225 PolarHBondContact O-N 3.23Å; L222-L225 HydrophobicContact CD1-CD1 4.36Å; L222-L225 WeakPolarHBondContact O-CB 3.37Å; L222-L225 PolarHBondContact O-N 3.02Å; K223-L225 VanDerWaalsContact C-N 3.31Å; K223-L225 PolarHBondContact O-N 3.47Å; L225-E241 HydrophobicContact CD2-CB 4.28Å; L225-L242 HydrophobicContact CD1-CB 4.46Å; L225-L242 HydrophobicContact CD1-CD1 4.21Å; L225-L245 HydrophobicContact CD1-CD2 3.9Å; L225-K298 HydrophobicContact CB-CD 4Å; L225-K298 PolarHBondContact O-NZ 3.33Å
226	S	89.1	Confident	91.7	Very high	58 Å²	58	61.2 Å²	61.2	41%	0.406	35%	0.349	S	S	.	.			trans	-66.7	138.4	175.7	-170.4	0	0	0	0	111.1	A228	S226-A228 PolarHBondContact OG-N 3.04Å; S226-A228 PolarHBondContact OG-O 3.36Å
227	D	83.1	Confident	91.7	Very high	81 Å²	81	62.5 Å²	62.5	43%	0.433	35%	0.353	S	S	.	.	S	Bend	trans	-86.6	-9.6	177.2	-61.7	-29.9	0	0	0	112.9	K298 V301	D227-K298 WeakPolarHBondContact OD1-CE 3.48Å; D227-K298 IonicContact OD1-NZ 3.17Å; D227-K298 PolarHBondContact OD1-NZ 3.36Å; D227-V301 HydrophobicContact CB-CG1 4.5Å; D227-V301 WeakPolarHBondContact O-CG1 3.41Å
228	A	81.4	Confident	91.7	Very high	23 Å²	23	59 Å²	59	19%	0.19	33%	0.332	C	S	.	.			trans	-137.3	144.8	178.9	0	0	0	0	0	111.6	S226 S374 V377	S226-A228 PolarHBondContact OG-N 3.04Å; S226-A228 PolarHBondContact OG-O 3.36Å; A228-S374 WeakPolarHBondContact CB-OG 3.38Å; A228-V377 HydrophobicContact CB-CG2 4.16Å
229	G	84.7	Confident	91.7	Very high	10 Å²	10	57 Å²	57	10%	0.103	33%	0.327	C	S	.	.			trans	-109	166.8	165.9	0	0	0	0	0	110.9	H309	G229-H309 PolarHBondContact O-CE1 2.99Å; G229-H309 PolarHBondContact O-NE2 2.98Å
230	D	85.9	Confident	91.7	Very high	128 Å²	128	62.5 Å²	62.5	68%	0.684	35%	0.354	S	S	*	.	S	Bend	trans	-96.1	-17.8	176.1	59.1	-10.6	0	0	0	113	R234 H309	D230-R234 WeakPolarHBondContact OD1-CB 3.22Å; D230-H309 PolarHBondContact O-CE1 3.16Å
231	C	89.6	Confident	91.7	Very high	57 Å²	57	60.9 Å²	60.9	39%	0.385	34%	0.343	S	S	.	.	S	Bend	trans	-147.6	164.9	-179.5	64.1	0	0	0	0	112.2	A233 R234 V235	C231-A233 PolarHBondContact O-N 2.92Å; C231-R234 PolarHBondContact O-N 3.47Å; C231-R234 VanDerWaalsContact O-N 3.16Å; C231-R234 VanDerWaalsContact SG-CB 3.55Å; C231-V235 WeakPolarHBondContact O-CG2 3.32Å; C231-V235 PolarHBondContact O-N 2.89Å
232	V	93.4	Very high	91.8	Very high	21 Å²	21	58.6 Å²	58.6	13%	0.127	33%	0.327	C	S	.	.	H	α-helix	trans	-52.5	-53.2	179.2	174.6	0	0	0	0	111.1	R234 V235 E236 L306 H309 M310 E313	V232-R234 VanDerWaalsContact C-N 3.27Å; V232-R234 PolarHBondContact O-N 3.31Å; V232-V235 PolarHBondContact O-N 3.17Å; V232-V235 VanDerWaalsContact O-N 3.1Å; V232-E236 HydrophobicContact CG1-CG 4.32Å; V232-E236 WeakPolarHBondContact O-CG 3.46Å; V232-E236 PolarHBondContact O-N 3.3Å; V232-L306 HydrophobicContact CG1-CD1 3.8Å; V232-H309 HydrophobicContact CG2-CB 3.7Å; V232-M310 HydrophobicContact CG1-CG 4.36Å; V232-M310 HydrophobicContact CG2-CG 4.1Å; V232-E313 WeakPolarHBondContact CG2-OE2 3.32Å
233	A	92.9	Very high	91.8	Very high	67 Å²	67	64.5 Å²	64.5	55%	0.554	35%	0.353	S	S	*	.	H	α-helix	trans	-58.6	-36.3	-179	0	0	0	0	0	113.2	C231 H237	C231-A233 PolarHBondContact O-N 2.92Å; A233-H237 WeakPolarHBondContact O-CB 3.45Å; A233-H237 PolarHBondContact O-N 2.95Å
234	R	93.3	Very high	91.9	Very high	108 Å²	108	60.8 Å²	60.8	41%	0.408	34%	0.341	S	S	.	.	H	α-helix	trans	-70	-41.8	177.1	-179	58.7	176.4	164.6	3.6	111.6	D230 C231 V232 H237 L238	D230-R234 WeakPolarHBondContact OD1-CB 3.22Å; C231-R234 PolarHBondContact O-N 3.47Å; C231-R234 VanDerWaalsContact O-N 3.16Å; C231-R234 VanDerWaalsContact SG-CB 3.55Å; V232-R234 VanDerWaalsContact C-N 3.27Å; V232-R234 PolarHBondContact O-N 3.31Å; R234-H237 PolarHBondContact O-N 3.38Å; R234-L238 HydrophobicContact CG-CD1 4.39Å; R234-L238 WeakPolarHBondContact O-CG 3.41Å; R234-L238 PolarHBondContact O-N 2.85Å
235	V	93.5	Very high	92	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.7	-40.3	177.7	-178.7	0	0	0	0	111.2	C231 V232 H237 L238 L239 L302 L306	C231-V235 WeakPolarHBondContact O-CG2 3.32Å; C231-V235 PolarHBondContact O-N 2.89Å; V232-V235 PolarHBondContact O-N 3.17Å; V232-V235 VanDerWaalsContact O-N 3.1Å; V235-H237 VanDerWaalsContact C-N 3.32Å; V235-H237 PolarHBondContact O-N 2.6Å; V235-L238 PolarHBondContact O-N 2.75Å; V235-L239 HydrophobicContact CG1-CD1 4.34Å; V235-L239 WeakPolarHBondContact O-CG 3.11Å; V235-L239 PolarHBondContact O-N 2.96Å; V235-L302 HydrophobicContact CG1-CB 4.43Å; V235-L302 HydrophobicContact CG1-CD2 4.35Å; V235-L302 VanDerWaalsContact CG1-O 3.26Å; V235-L302 WeakPolarHBondContact CG1-O 3.49Å; V235-L306 HydrophobicContact CB-CD1 4.27Å; V235-L306 HydrophobicContact CG1-CB 3.74Å; V235-L306 HydrophobicContact CG1-CD1 4.31Å
236	E	95	Very high	92.2	Very high	104 Å²	104	60 Å²	60	49%	0.486	32%	0.319	S	S	.	.	H	α-helix	trans	-60.2	-42.5	173.3	-70.4	179.9	147.8	0	0	111.8	V232 L239 M240 L306	V232-E236 HydrophobicContact CG1-CG 4.32Å; V232-E236 WeakPolarHBondContact O-CG 3.46Å; V232-E236 PolarHBondContact O-N 3.3Å; E236-L239 PolarHBondContact O-N 2.76Å; E236-M240 PolarHBondContact O-N 2.97Å; E236-L306 HydrophobicContact CG-CD1 3.68Å; E236-L306 HydrophobicContact CG-CD2 4.3Å
237	H	94.7	Very high	92.5	Very high	91 Å²	91	63 Å²	63	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-61.3	-45.3	174.2	-172.4	-82.2	0	0	0	112	A233 R234 V235 L239 M240 E241	A233-H237 WeakPolarHBondContact O-CB 3.45Å; A233-H237 PolarHBondContact O-N 2.95Å; R234-H237 PolarHBondContact O-N 3.38Å; V235-H237 VanDerWaalsContact C-N 3.32Å; V235-H237 PolarHBondContact O-N 2.6Å; H237-L239 VanDerWaalsContact C-N 3.34Å; H237-L239 PolarHBondContact O-N 2.87Å; H237-M240 PolarHBondContact O-N 2.93Å; H237-M240 VanDerWaalsContact O-N 3.17Å; H237-E241 IonicContact CE1-OE1 2.77Å; H237-E241 PolarHBondContact CE1-OE1 3.37Å; H237-E241 IonicContact CE1-OE2 2.75Å; H237-E241 PolarHBondContact CE1-OE2 3.45Å; H237-E241 VanDerWaalsContact CE1-OE2 3.26Å; H237-E241 VanDerWaalsContact ND1-CD 3.26Å; H237-E241 IonicContact ND1-OE1 3.82Å; H237-E241 IonicContact ND1-OE2 3.01Å; H237-E241 PolarHBondContact ND1-OE2 3.24Å; H237-E241 WeakPolarHBondContact O-CG 3.36Å; H237-E241 PolarHBondContact O-N 3.12Å
238	L	94.8	Very high	93	Very high	3 Å²	3	65.2 Å²	65.2	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-62	-39.5	177.5	-72.5	169	0	0	0	112.1	R234 V235 M240 E241 L242 L302	R234-L238 HydrophobicContact CG-CD1 4.39Å; R234-L238 WeakPolarHBondContact O-CG 3.41Å; R234-L238 PolarHBondContact O-N 2.85Å; V235-L238 PolarHBondContact O-N 2.75Å; L238-M240 VanDerWaalsContact C-N 3.34Å; L238-E241 PolarHBondContact O-N 3.24Å; L238-L242 WeakPolarHBondContact O-CB 3.49Å; L238-L242 PolarHBondContact O-N 3.34Å; L238-L302 HydrophobicContact CB-CD1 4.06Å; L238-L302 HydrophobicContact CB-CD2 4.05Å; L238-L302 HydrophobicContact CD1-CD2 4.03Å
239	L	95.4	Very high	93.7	Very high	40 Å²	40	64.1 Å²	64.1	21%	0.209	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-40.1	173.7	-77.5	166.6	0	0	0	111.9	V235 E236 H237 L242 K243 L302 L306	V235-L239 HydrophobicContact CG1-CD1 4.34Å; V235-L239 WeakPolarHBondContact O-CG 3.11Å; V235-L239 PolarHBondContact O-N 2.96Å; E236-L239 PolarHBondContact O-N 2.76Å; H237-L239 VanDerWaalsContact C-N 3.34Å; H237-L239 PolarHBondContact O-N 2.87Å; L239-L242 PolarHBondContact O-N 3.1Å; L239-K243 WeakPolarHBondContact O-CB 3.49Å; L239-K243 PolarHBondContact O-N 3.02Å; L239-L302 HydrophobicContact CD2-CB 3.53Å; L239-L302 HydrophobicContact CD2-CD1 4.26Å; L239-L302 HydrophobicContact CG-CB 3.86Å; L239-L302 HydrophobicContact CG-CD1 4.48Å; L239-L306 HydrophobicContact CD1-CB 4.46Å; L239-L306 HydrophobicContact CD1-CD2 3.87Å
240	M	95.4	Very high	94.2	Very high	135 Å²	135	68 Å²	68	67%	0.665	34%	0.339	S	S	*	.	H	α-helix	trans	-68.9	-38.4	176.3	-176.3	166.7	155	0	0	112.3	E236 H237 L238 T244	E236-M240 PolarHBondContact O-N 2.97Å; H237-M240 PolarHBondContact O-N 2.93Å; H237-M240 VanDerWaalsContact O-N 3.17Å; L238-M240 VanDerWaalsContact C-N 3.34Å; M240-T244 WeakPolarHBondContact O-CB 3.44Å; M240-T244 PolarHBondContact O-N 3.4Å; M240-T244 PolarHBondContact O-OG1 3.41Å
241	E	95.6	Very high	94.7	Very high	73 Å²	73	65.6 Å²	65.6	34%	0.341	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-44.8	172.2	-74.7	-179.1	117.9	0	0	111.7	L225 H237 L238 T244 L245	L225-E241 HydrophobicContact CD2-CB 4.28Å; H237-E241 IonicContact CE1-OE1 2.77Å; H237-E241 PolarHBondContact CE1-OE1 3.37Å; H237-E241 IonicContact CE1-OE2 2.75Å; H237-E241 PolarHBondContact CE1-OE2 3.45Å; H237-E241 VanDerWaalsContact CE1-OE2 3.26Å; H237-E241 VanDerWaalsContact ND1-CD 3.26Å; H237-E241 IonicContact ND1-OE1 3.82Å; H237-E241 IonicContact ND1-OE2 3.01Å; H237-E241 PolarHBondContact ND1-OE2 3.24Å; H237-E241 WeakPolarHBondContact O-CG 3.36Å; H237-E241 PolarHBondContact O-N 3.12Å; L238-E241 PolarHBondContact O-N 3.24Å; E241-T244 PolarHBondContact O-N 3.33Å; E241-L245 PolarHBondContact O-N 3.36Å
242	L	96.1	Very high	95	Very high	2 Å²	2	64 Å²	64	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-59.5	-49.6	175.8	177.9	61.8	0	0	0	111.1	L222 L225 L238 L239 T244 L245 E246 K298 L302	L222-L242 HydrophobicContact CD1-CD1 3.4Å; L225-L242 HydrophobicContact CD1-CB 4.46Å; L225-L242 HydrophobicContact CD1-CD1 4.21Å; L238-L242 WeakPolarHBondContact O-CB 3.49Å; L238-L242 PolarHBondContact O-N 3.34Å; L239-L242 PolarHBondContact O-N 3.1Å; L242-T244 VanDerWaalsContact C-N 3.3Å; L242-T244 PolarHBondContact O-N 3.34Å; L242-L245 WeakPolarHBondContact O-CA 3.42Å; L242-L245 WeakPolarHBondContact O-CB 3.38Å; L242-L245 PolarHBondContact O-N 3Å; L242-E246 WeakPolarHBondContact O-CG 3.49Å; L242-E246 PolarHBondContact O-N 3.41Å; L242-K298 HydrophobicContact CD2-CB 4.28Å; L242-K298 HydrophobicContact CD2-CG 4.34Å; L242-L302 HydrophobicContact CD2-CD1 4.26Å
243	K	96	Very high	95.2	Very high	124 Å²	124	63.5 Å²	63.5	54%	0.539	32%	0.315	S	S	.	.	H	α-helix	trans	-59.6	-41.4	177.7	-173.5	178.1	179.3	-176.7	0	112.1	L239 L245 E246 E247	L239-K243 WeakPolarHBondContact O-CB 3.49Å; L239-K243 PolarHBondContact O-N 3.02Å; K243-L245 VanDerWaalsContact C-N 3.28Å; K243-L245 PolarHBondContact O-N 3.47Å; K243-E246 PolarHBondContact O-N 2.87Å; K243-E247 VanDerWaalsContact CE-OE1 3.31Å; K243-E247 WeakPolarHBondContact CE-OE1 3.45Å; K243-E247 WeakPolarHBondContact O-CG 3.4Å; K243-E247 PolarHBondContact O-N 3.48Å
244	T	95.6	Very high	95.3	Very high	52 Å²	52	64.9 Å²	64.9	32%	0.319	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-35.7	176	-57.1	0	0	0	0	111.7	M240 E241 L242 K248	M240-T244 WeakPolarHBondContact O-CB 3.44Å; M240-T244 PolarHBondContact O-N 3.4Å; M240-T244 PolarHBondContact O-OG1 3.41Å; E241-T244 PolarHBondContact O-N 3.33Å; L242-T244 VanDerWaalsContact C-N 3.3Å; L242-T244 PolarHBondContact O-N 3.34Å; T244-K248 HydrophobicContact CG2-CD 4.23Å; T244-K248 WeakPolarHBondContact O-CB 3.39Å; T244-K248 VanDerWaalsContact O-CG 3.24Å; T244-K248 WeakPolarHBondContact O-CG 3.46Å; T244-K248 PolarHBondContact O-N 3.23Å; T244-K248 VanDerWaalsContact O-N 3.13Å
245	L	94.9	Very high	95.5	Very high	18 Å²	18	63.9 Å²	63.9	9%	0.094	31%	0.309	C	S	.	.	H	α-helix	trans	-69.3	-42.4	175.7	-176.9	64.6	0	0	0	111.6	L222 L225 E241 L242 K243 K248 V249	L222-L245 HydrophobicContact CB-CD2 3.79Å; L222-L245 HydrophobicContact CD1-CD2 4.02Å; L225-L245 HydrophobicContact CD1-CD2 3.9Å; E241-L245 PolarHBondContact O-N 3.36Å; L242-L245 WeakPolarHBondContact O-CA 3.42Å; L242-L245 WeakPolarHBondContact O-CB 3.38Å; L242-L245 PolarHBondContact O-N 3Å; K243-L245 VanDerWaalsContact C-N 3.28Å; K243-L245 PolarHBondContact O-N 3.47Å; L245-K248 PolarHBondContact O-N 3.01Å; L245-V249 WeakPolarHBondContact O-CG1 3.39Å; L245-V249 PolarHBondContact O-N 3.23Å
246	E	95.3	Very high	95.7	Very high	66 Å²	66	63.9 Å²	63.9	31%	0.308	31%	0.309	S	S	.	.	H	α-helix	trans	-60	-46.4	174.2	-70.3	-179.4	133.5	0	0	111.6	L242 K243 K248 V249 Q250 A295	L242-E246 WeakPolarHBondContact O-CG 3.49Å; L242-E246 PolarHBondContact O-N 3.41Å; K243-E246 PolarHBondContact O-N 2.87Å; E246-K248 VanDerWaalsContact C-N 3.3Å; E246-K248 PolarHBondContact O-N 2.94Å; E246-V249 WeakPolarHBondContact O-CG1 3.42Å; E246-V249 PolarHBondContact O-N 3.38Å; E246-Q250 PolarHBondContact O-N 3.18Å; E246-A295 HydrophobicContact CG-CB 4.28Å
247	E	95.4	Very high	95.8	Very high	121 Å²	121	63.6 Å²	63.6	57%	0.565	31%	0.308	S	S	*	.	H	α-helix	trans	-61.7	-37.9	176.4	-72.5	172.9	-174.5	0	0	112.1	K243	K243-E247 VanDerWaalsContact CE-OE1 3.31Å; K243-E247 WeakPolarHBondContact CE-OE1 3.45Å; K243-E247 WeakPolarHBondContact O-CG 3.4Å; K243-E247 PolarHBondContact O-N 3.48Å
248	K	93.5	Very high	95.9	Very high	126 Å²	126	64.8 Å²	64.8	55%	0.548	32%	0.316	S	S	.	.	H	α-helix	trans	-72.3	-31.6	178.1	-76.2	172.5	-178	172.7	0	113.7	T244 L245 E246	T244-K248 HydrophobicContact CG2-CD 4.23Å; T244-K248 WeakPolarHBondContact O-CB 3.39Å; T244-K248 VanDerWaalsContact O-CG 3.24Å; T244-K248 WeakPolarHBondContact O-CG 3.46Å; T244-K248 PolarHBondContact O-N 3.23Å; T244-K248 VanDerWaalsContact O-N 3.13Å; L245-K248 PolarHBondContact O-N 3.01Å; E246-K248 VanDerWaalsContact C-N 3.3Å; E246-K248 PolarHBondContact O-N 2.94Å
249	V	96.1	Very high	96	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-86.6	-24.2	-177.4	75.8	0	0	0	0	112.6	L215 R218 L245 E246 T252 L253 F291	L215-V249 HydrophobicContact CD2-CG2 3.98Å; R218-V249 HydrophobicContact CB-CG2 3.85Å; R218-V249 HydrophobicContact CG-CB 4.49Å; R218-V249 HydrophobicContact CG-CG2 3.96Å; L245-V249 WeakPolarHBondContact O-CG1 3.39Å; L245-V249 PolarHBondContact O-N 3.23Å; E246-V249 WeakPolarHBondContact O-CG1 3.42Å; E246-V249 PolarHBondContact O-N 3.38Å; V249-T252 WeakPolarHBondContact O-CA 3.31Å; V249-T252 VanDerWaalsContact O-CB 3.27Å; V249-T252 WeakPolarHBondContact O-CB 3.49Å; V249-T252 PolarHBondContact O-N 3.44Å; V249-L253 HydrophobicContact CG1-CD1 4.01Å; V249-L253 HydrophobicContact CG1-CG 4.47Å; V249-L253 HydrophobicContact CG2-CG 4.26Å; V249-L253 PolarHBondContact O-N 2.94Å; V249-F291 HydrophobicContact CB-CE1 4.13Å; V249-F291 HydrophobicContact CB-CZ 3.94Å; V249-F291 HydrophobicContact CG1-CD1 4.01Å; V249-F291 HydrophobicContact CG1-CE1 3.16Å; V249-F291 HydrophobicContact CG1-CE2 4.38Å; V249-F291 HydrophobicContact CG1-CZ 3.39Å; V249-F291 HydrophobicContact CG2-CE1 4.14Å; V249-F291 HydrophobicContact CG2-CE2 4.11Å; V249-F291 HydrophobicContact CG2-CZ 3.92Å
250	Q	96.2	Very high	96.1	Very high	91 Å²	91	63.6 Å²	63.6	43%	0.425	31%	0.31	S	S	.	.	H	α-helix	trans	-45.2	-51.6	-179.9	-172.9	61.3	23.5	0	0	114.7	E246 T252 L253 E254	E246-Q250 PolarHBondContact O-N 3.18Å; Q250-T252 PolarHBondContact O-N 3.27Å; Q250-L253 PolarHBondContact O-N 3.38Å; Q250-L253 VanDerWaalsContact O-N 3.16Å; Q250-E254 PolarHBondContact NE2-OE1 2.8Å; Q250-E254 WeakPolarHBondContact O-CG 3.41Å; Q250-E254 PolarHBondContact O-N 2.93Å
251	P	96.3	Very high	96.2	Very high	78 Å²	78	62.3 Å²	62.3	51%	0.506	30%	0.303	S	S	.	.	H	α-helix	trans	-64	-27.5	178.3	25.4	-35.9	0	0	0	113	K255	P251-K255 WeakPolarHBondContact O-CB 3.31Å; P251-K255 PolarHBondContact O-N 2.98Å
252	T	95.4	Very high	96.3	Very high	23 Å²	23	62.5 Å²	62.5	14%	0.141	30%	0.304	C	S	.	.	H	α-helix	trans	-75.4	-38.8	176.9	-47.7	0	0	0	0	110.9	V211 T214 L215 V249 Q250 K255 A256	V211-T252 HydrophobicContact CG1-CG2 4.47Å; T214-T252 HydrophobicContact CG2-CG2 3.78Å; L215-T252 HydrophobicContact CD2-CG2 3.64Å; L215-T252 HydrophobicContact CG-CG2 3.78Å; V249-T252 WeakPolarHBondContact O-CA 3.31Å; V249-T252 VanDerWaalsContact O-CB 3.27Å; V249-T252 WeakPolarHBondContact O-CB 3.49Å; V249-T252 PolarHBondContact O-N 3.44Å; Q250-T252 PolarHBondContact O-N 3.27Å; T252-K255 PolarHBondContact O-N 3.14Å; T252-A256 WeakPolarHBondContact O-CB 3.21Å; T252-A256 PolarHBondContact O-N 3.41Å
253	L	96.9	Very high	96.4	Very high	10 Å²	10	62.4 Å²	62.4	5%	0.052	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-44.8	173.7	-67.8	173.4	0	0	0	111.3	L215 V249 Q250 A256 Q257 C288 F291	L215-L253 HydrophobicContact CD2-CD2 3.79Å; L215-L253 HydrophobicContact CD2-CG 4.37Å; V249-L253 HydrophobicContact CG1-CD1 4.01Å; V249-L253 HydrophobicContact CG1-CG 4.47Å; V249-L253 HydrophobicContact CG2-CG 4.26Å; V249-L253 PolarHBondContact O-N 2.94Å; Q250-L253 PolarHBondContact O-N 3.38Å; Q250-L253 VanDerWaalsContact O-N 3.16Å; L253-A256 WeakPolarHBondContact O-CB 3.45Å; L253-A256 PolarHBondContact O-N 3.27Å; L253-Q257 WeakPolarHBondContact O-CG 3.29Å; L253-Q257 PolarHBondContact O-N 2.86Å; L253-C288 HydrophobicContact CD2-CB 3.93Å; L253-F291 HydrophobicContact CD1-CD1 4.1Å; L253-F291 HydrophobicContact CD2-CB 4.4Å; L253-F291 HydrophobicContact CD2-CD1 4.42Å
254	E	96.3	Very high	96.4	Very high	96 Å²	96	59 Å²	59	45%	0.449	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-45.1	175.4	-71.2	171.3	-167.6	0	0	111.5	Q250 A256 Q257 L258	Q250-E254 PolarHBondContact NE2-OE1 2.8Å; Q250-E254 WeakPolarHBondContact O-CG 3.41Å; Q250-E254 PolarHBondContact O-N 2.93Å; E254-A256 VanDerWaalsContact C-N 3.31Å; E254-A256 PolarHBondContact O-N 2.98Å; E254-Q257 PolarHBondContact O-N 3.33Å; E254-L258 WeakPolarHBondContact O-CB 3.22Å; E254-L258 WeakPolarHBondContact O-CG 3.5Å; E254-L258 PolarHBondContact O-N 2.99Å
255	K	96.5	Very high	96.5	Very high	87 Å²	87	62.1 Å²	62.1	38%	0.378	30%	0.302	S	S	.	.	H	α-helix	trans	-57.8	-43.2	174.4	-175	177.4	175.4	-177.7	0	111.4	E210 V211 P251 T252 H259	E210-K255 IonicContact OE1-NZ 3.83Å; E210-K255 PolarHBondContact OE1-NZ 3.36Å; V211-K255 HydrophobicContact CG2-CD 3.74Å; V211-K255 HydrophobicContact CG2-CG 3.87Å; P251-K255 WeakPolarHBondContact O-CB 3.31Å; P251-K255 PolarHBondContact O-N 2.98Å; T252-K255 PolarHBondContact O-N 3.14Å; K255-H259 WeakPolarHBondContact O-CB 3.36Å; K255-H259 PolarHBondContact O-N 2.64Å
256	A	97.9	Very high	96.6	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.8	-43	178.4	0	0	0	0	0	112.9	V211 L215 T252 L253 E254 H259 A260 L284 C288	V211-A256 HydrophobicContact CG1-CB 3.56Å; L215-A256 HydrophobicContact CD1-CB 3.87Å; T252-A256 WeakPolarHBondContact O-CB 3.21Å; T252-A256 PolarHBondContact O-N 3.41Å; L253-A256 WeakPolarHBondContact O-CB 3.45Å; L253-A256 PolarHBondContact O-N 3.27Å; E254-A256 VanDerWaalsContact C-N 3.31Å; E254-A256 PolarHBondContact O-N 2.98Å; A256-H259 PolarHBondContact O-N 3.44Å; A256-A260 PolarHBondContact O-N 2.93Å; A256-L284 HydrophobicContact CB-CD2 4.29Å; A256-C288 WeakPolarHBondContact CB-SG 3.48Å
257	Q	97	Very high	96.7	Very high	99 Å²	99	59.6 Å²	59.6	46%	0.463	29%	0.291	S	S	.	.	H	α-helix	trans	-65	-46.3	176.7	-72	176.7	-7.5	0	0	111.7	L253 E254 H259 A260 M261	L253-Q257 WeakPolarHBondContact O-CG 3.29Å; L253-Q257 PolarHBondContact O-N 2.86Å; E254-Q257 PolarHBondContact O-N 3.33Å; Q257-H259 VanDerWaalsContact C-N 3.28Å; Q257-H259 PolarHBondContact O-N 3Å; Q257-A260 PolarHBondContact O-N 3.13Å; Q257-M261 WeakPolarHBondContact O-CG 3.45Å; Q257-M261 PolarHBondContact O-N 3.5Å
258	L	97.1	Very high	96.7	Very high	116 Å²	116	61 Å²	61	61%	0.607	30%	0.297	S	S	*	.	H	α-helix	trans	-59.8	-40	174.8	-72.9	173	0	0	0	111.5	E254 M261 H262	E254-L258 WeakPolarHBondContact O-CB 3.22Å; E254-L258 WeakPolarHBondContact O-CG 3.5Å; E254-L258 PolarHBondContact O-N 2.99Å; L258-M261 PolarHBondContact O-N 3.16Å; L258-H262 WeakPolarHBondContact O-CB 3.34Å; L258-H262 PolarHBondContact O-N 3.44Å
259	H	97.1	Very high	96.7	Very high	17 Å²	17	58.3 Å²	58.3	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-66.6	-40.7	177.3	-157.2	61.8	0	0	0	112.2	F204 D207 K255 A256 Q257 M261 H262 G263 L284	F204-H259 AromaticContact CD2-CD2 3.92Å; F204-H259 AromaticContact CD2-CE1 3.53Å; F204-H259 AromaticContact CD2-NE2 3.27Å; F204-H259 VanDerWaalsContact CD2-NE2 3.27Å; F204-H259 WeakPolarHBondContact CD2-NE2 3.41Å; F204-H259 AromaticContact CE2-CD2 3.64Å; F204-H259 AromaticContact CE2-NE2 3.49Å; F204-H259 WeakPolarHBondContact CE2-NE2 3.42Å; F204-H259 AromaticContact CG-NE2 3.74Å; F204-H259 PolarHBondContact O-NE2 3.28Å; D207-H259 WeakPolarHBondContact CB-CE1 3.48Å; D207-H259 IonicContact OD2-CE1 3.26Å; K255-H259 WeakPolarHBondContact O-CB 3.36Å; K255-H259 PolarHBondContact O-N 2.64Å; A256-H259 PolarHBondContact O-N 3.44Å; Q257-H259 VanDerWaalsContact C-N 3.28Å; Q257-H259 PolarHBondContact O-N 3Å; H259-M261 VanDerWaalsContact C-N 3.34Å; H259-M261 PolarHBondContact O-N 2.87Å; H259-H262 PolarHBondContact O-N 3.37Å; H259-G263 PolarHBondContact O-N 2.88Å; H259-L284 HydrophobicContact CB-CD1 4.05Å
260	A	98	Very high	96.6	Very high	1 Å²	1	65 Å²	65	1%	0.008	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-40.5	173.7	0	0	0	0	0	111.9	A256 Q257 G263 D264 C281 L284 R285	A256-A260 PolarHBondContact O-N 2.93Å; Q257-A260 PolarHBondContact O-N 3.13Å; A260-G263 PolarHBondContact O-N 3.21Å; A260-D264 PolarHBondContact O-N 3.46Å; A260-C281 HydrophobicContact CB-CB 4.3Å; A260-C281 PolarHBondContact O-SG 2.92Å; A260-L284 HydrophobicContact CB-CB 4.38Å; A260-R285 HydrophobicContact CB-CG 4.06Å
261	M	97.5	Very high	96.5	Very high	107 Å²	107	60.8 Å²	60.8	53%	0.527	31%	0.31	S	S	.	.	H	α-helix	trans	-64.7	-41.9	174.3	-70.8	178.6	67.7	0	0	112.4	Q257 L258 H259 G263 D264 Q265	Q257-M261 WeakPolarHBondContact O-CG 3.45Å; Q257-M261 PolarHBondContact O-N 3.5Å; L258-M261 PolarHBondContact O-N 3.16Å; H259-M261 VanDerWaalsContact C-N 3.34Å; H259-M261 PolarHBondContact O-N 2.87Å; M261-G263 VanDerWaalsContact C-N 3.29Å; M261-G263 PolarHBondContact O-N 3Å; M261-D264 WeakPolarHBondContact O-CB 3.3Å; M261-D264 PolarHBondContact O-N 3.03Å; M261-D264 VanDerWaalsContact O-N 3.15Å; M261-Q265 WeakPolarHBondContact O-CG 3.08Å; M261-Q265 PolarHBondContact O-N 2.97Å
262	H	97.3	Very high	96.3	Very high	78 Å²	78	61.3 Å²	61.3	36%	0.361	30%	0.303	S	S	.	.	H	α-helix	trans	-60.1	-42.6	173.8	175.9	-130.6	0	0	0	110.8	L258 H259 D264 Q265 L266	L258-H262 WeakPolarHBondContact O-CB 3.34Å; L258-H262 PolarHBondContact O-N 3.44Å; H259-H262 PolarHBondContact O-N 3.37Å; H262-D264 VanDerWaalsContact C-N 3.33Å; H262-D264 PolarHBondContact O-N 3.37Å; H262-Q265 WeakPolarHBondContact O-CB 3.32Å; H262-Q265 PolarHBondContact O-N 3.49Å; H262-Q265 VanDerWaalsContact O-N 3.15Å; H262-L266 WeakPolarHBondContact O-CG 3.37Å; H262-L266 PolarHBondContact O-N 3.2Å
263	G	97.8	Very high	96.3	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.5	-37.2	173.3	0	0	0	0	0	113.5	H259 A260 M261 Q265 L266 I267 C281	H259-G263 PolarHBondContact O-N 2.88Å; A260-G263 PolarHBondContact O-N 3.21Å; M261-G263 VanDerWaalsContact C-N 3.29Å; M261-G263 PolarHBondContact O-N 3Å; G263-Q265 VanDerWaalsContact C-N 3.33Å; G263-Q265 PolarHBondContact O-N 3.39Å; G263-L266 PolarHBondContact O-N 2.81Å; G263-I267 VanDerWaalsContact O-CG1 3.3Å; G263-I267 WeakPolarHBondContact O-CG1 3.46Å; G263-I267 PolarHBondContact O-N 2.93Å; G263-C281 VanDerWaalsContact CA-SG 3.6Å
264	D	97.3	Very high	96.2	Very high	53 Å²	53	61.9 Å²	61.9	28%	0.283	31%	0.307	S	S	.	.	H	α-helix	trans	-63.8	-38.7	173.1	-63.4	-29.4	0	0	0	112.2	A260 M261 H262 L266 I267 Q268 R285	A260-D264 PolarHBondContact O-N 3.46Å; M261-D264 WeakPolarHBondContact O-CB 3.3Å; M261-D264 PolarHBondContact O-N 3.03Å; M261-D264 VanDerWaalsContact O-N 3.15Å; H262-D264 VanDerWaalsContact C-N 3.33Å; H262-D264 PolarHBondContact O-N 3.37Å; D264-L266 VanDerWaalsContact C-N 3.34Å; D264-I267 WeakPolarHBondContact O-CB 3.33Å; D264-I267 PolarHBondContact O-N 3.14Å; D264-Q268 VanDerWaalsContact O-CG 3.3Å; D264-Q268 WeakPolarHBondContact O-CG 3.46Å; D264-Q268 PolarHBondContact O-N 2.88Å; D264-R285 IonicContact OD1-CZ 2.71Å; D264-R285 IonicContact OD1-NH2 3.4Å; D264-R285 PolarHBondContact OD1-NH2 3.45Å; D264-R285 IonicContact OD2-CZ 2.71Å; D264-R285 IonicContact OD2-NH2 3.57Å; D264-R285 PolarHBondContact OD2-NH2 3.03Å
265	Q	97.6	Very high	96.1	Very high	116 Å²	116	64 Å²	64	54%	0.542	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-40.7	175.7	-68.4	172.6	-6.8	0	0	111.4	M261 H262 G263 I267 Q268 S269	M261-Q265 WeakPolarHBondContact O-CG 3.08Å; M261-Q265 PolarHBondContact O-N 2.97Å; H262-Q265 WeakPolarHBondContact O-CB 3.32Å; H262-Q265 PolarHBondContact O-N 3.49Å; H262-Q265 VanDerWaalsContact O-N 3.15Å; G263-Q265 VanDerWaalsContact C-N 3.33Å; G263-Q265 PolarHBondContact O-N 3.39Å; Q265-I267 VanDerWaalsContact C-N 3.31Å; Q265-I267 PolarHBondContact O-N 2.81Å; Q265-Q268 PolarHBondContact O-N 3.34Å; Q265-S269 PolarHBondContact O-N 2.92Å; Q265-S269 PolarHBondContact O-OG 2.87Å
266	L	96.4	Very high	96	Very high	10 Å²	10	61.7 Å²	61.7	5%	0.052	32%	0.317	C	S	.	.	H	α-helix	trans	-62.6	-39.2	173.4	-63	176.4	0	0	0	111.4	F204 H262 G263 D264 S269 H271 I277	F204-L266 HydrophobicContact CD2-CD1 4.39Å; H262-L266 WeakPolarHBondContact O-CG 3.37Å; H262-L266 PolarHBondContact O-N 3.2Å; G263-L266 PolarHBondContact O-N 2.81Å; D264-L266 VanDerWaalsContact C-N 3.34Å; L266-S269 WeakPolarHBondContact CA-OG 3.42Å; L266-S269 PolarHBondContact O-N 2.64Å; L266-S269 PolarHBondContact O-OG 2.86Å; L266-H271 HydrophobicContact CB-CB 4.23Å; L266-H271 WeakPolarHBondContact O-CB 3.49Å; L266-H271 PolarHBondContact O-N 2.62Å; L266-H271 VanDerWaalsContact O-N 3.15Å; L266-I277 HydrophobicContact CB-CD1 4.09Å; L266-I277 HydrophobicContact CD1-CD1 4.14Å
267	I	96.7	Very high	96	Very high	21 Å²	21	61.7 Å²	61.7	11%	0.108	32%	0.317	C	S	.	.	H	α-helix	trans	-65.3	-43.5	176	-67.3	166.6	0	0	0	110.8	G263 D264 Q265 S269 N270 V274 I277 R278	G263-I267 VanDerWaalsContact O-CG1 3.3Å; G263-I267 WeakPolarHBondContact O-CG1 3.46Å; G263-I267 PolarHBondContact O-N 2.93Å; D264-I267 WeakPolarHBondContact O-CB 3.33Å; D264-I267 PolarHBondContact O-N 3.14Å; Q265-I267 VanDerWaalsContact C-N 3.31Å; Q265-I267 PolarHBondContact O-N 2.81Å; I267-S269 VanDerWaalsContact C-N 3.26Å; I267-S269 PolarHBondContact O-N 3.18Å; I267-N270 PolarHBondContact O-N 3.19Å; I267-V274 HydrophobicContact CG1-CG1 4.2Å; I267-V274 HydrophobicContact CG2-CG1 4.03Å; I267-V274 HydrophobicContact CG2-CG2 4.45Å; I267-I277 HydrophobicContact CD1-CG2 4.09Å; I267-I277 HydrophobicContact CG1-CB 4.45Å; I267-I277 HydrophobicContact CG1-CG2 4.09Å; I267-R278 HydrophobicContact CD1-CB 3.83Å; I267-R278 HydrophobicContact CD1-CG 4.38Å
268	Q	96.5	Very high	96.1	Very high	152 Å²	152	63.2 Å²	63.2	71%	0.71	32%	0.318	S	S	*	.	H	α-helix	trans	-64.8	-29.6	178.3	-72	172	13.5	0	0	112.9	D264 Q265 N270	D264-Q268 VanDerWaalsContact O-CG 3.3Å; D264-Q268 WeakPolarHBondContact O-CG 3.46Å; D264-Q268 PolarHBondContact O-N 2.88Å; Q265-Q268 PolarHBondContact O-N 3.34Å; Q268-N270 PolarHBondContact O-N 3.22Å
269	S	93.8	Very high	96.1	Very high	69 Å²	69	61.2 Å²	61.2	48%	0.483	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	10.2	176.4	68.7	0	0	0	0	114.2	Q265 L266 I267	Q265-S269 PolarHBondContact O-N 2.92Å; Q265-S269 PolarHBondContact O-OG 2.87Å; L266-S269 WeakPolarHBondContact CA-OG 3.42Å; L266-S269 PolarHBondContact O-N 2.64Å; L266-S269 PolarHBondContact O-OG 2.86Å; I267-S269 VanDerWaalsContact C-N 3.26Å; I267-S269 PolarHBondContact O-N 3.18Å
270	N	92.3	Very high	96.1	Very high	141 Å²	141	62.2 Å²	62.2	75%	0.754	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	43.1	-176.7	-63	-52	0	0	0	113.2	I267 Q268 Y272	I267-N270 PolarHBondContact O-N 3.19Å; Q268-N270 PolarHBondContact O-N 3.22Å; N270-Y272 PolarHBondContact O-N 3.35Å
271	H	95.4	Very high	96.1	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.009	32%	0.316	C	S	.	.			trans	-57.5	135.6	173.5	-168.6	-72	0	0	0	111.4	Q197 L266 A273 V274 I277	Q197-H271 WeakPolarHBondContact CA-NE2 3.44Å; Q197-H271 WeakPolarHBondContact CB-NE2 3.36Å; Q197-H271 PolarHBondContact O-CE1 3.13Å; Q197-H271 PolarHBondContact O-NE2 3.36Å; L266-H271 HydrophobicContact CB-CB 4.23Å; L266-H271 WeakPolarHBondContact O-CB 3.49Å; L266-H271 PolarHBondContact O-N 2.62Å; L266-H271 VanDerWaalsContact O-N 3.15Å; H271-A273 PolarHBondContact ND1-N 3.09Å; H271-A273 PolarHBondContact O-N 2.85Å; H271-V274 WeakPolarHBondContact O-CG2 3.3Å; H271-V274 PolarHBondContact O-N 3.05Å; H271-I277 HydrophobicContact CB-CD1 4.35Å
272	Y	92.3	Very high	96.2	Very high	90 Å²	90	61.2 Å²	61.2	35%	0.353	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-14.7	-173.6	81.8	-94.5	0	0	0	115.5	L105 K194 Q197 C198 N270	L105-Y272 HydrophobicContact CD1-CE2 4.41Å; K194-Y272 HydrophobicContact CG-CD1 4.24Å; K194-Y272 HydrophobicContact CG-CE1 4.5Å; Q197-Y272 HydrophobicContact CB-CD1 3.58Å; Q197-Y272 HydrophobicContact CB-CE1 3.72Å; C198-Y272 WeakPolarHBondContact CA-OH 3.21Å; C198-Y272 HydrophobicContact CB-CE1 4.22Å; N270-Y272 PolarHBondContact O-N 3.35Å
273	A	94.3	Very high	96.2	Very high	11 Å²	11	60.7 Å²	60.7	9%	0.091	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	32.1	-170	0	0	0	0	0	113.3	L201 H271 D275 S276 I277	L201-A273 HydrophobicContact CD1-CB 4.25Å; L201-A273 HydrophobicContact CD2-CB 3.61Å; L201-A273 HydrophobicContact CG-CB 4.45Å; H271-A273 PolarHBondContact ND1-N 3.09Å; H271-A273 PolarHBondContact O-N 2.85Å; A273-D275 PolarHBondContact O-N 2.63Å; A273-D275 VanDerWaalsContact O-N 3.15Å; A273-S276 PolarHBondContact O-N 2.88Å; A273-I277 WeakPolarHBondContact O-CG1 3.13Å; A273-I277 PolarHBondContact O-N 3.47Å; A273-I277 VanDerWaalsContact O-N 3.14Å
274	V	96	Very high	96.2	Very high	33 Å²	33	60.8 Å²	60.8	20%	0.2	31%	0.314	C	S	.	.	H	α-helix	trans	-48.1	-42.8	179.5	174.5	0	0	0	0	112.1	I267 H271 S276 I277 R278	I267-V274 HydrophobicContact CG1-CG1 4.2Å; I267-V274 HydrophobicContact CG2-CG1 4.03Å; I267-V274 HydrophobicContact CG2-CG2 4.45Å; H271-V274 WeakPolarHBondContact O-CG2 3.3Å; H271-V274 PolarHBondContact O-N 3.05Å; V274-S276 PolarHBondContact O-N 3.21Å; V274-I277 PolarHBondContact O-N 3.28Å; V274-R278 WeakPolarHBondContact O-CB 3.3Å; V274-R278 PolarHBondContact O-N 3.49Å
275	D	93.8	Very high	96.2	Very high	142 Å²	142	62 Å²	62	76%	0.759	32%	0.315	S	S	*	.	H	α-helix	trans	-66.7	-23.3	-176.8	-59	-40.7	0	0	0	113.4	A273 P279	A273-D275 PolarHBondContact O-N 2.63Å; A273-D275 VanDerWaalsContact O-N 3.15Å; D275-P279 WeakPolarHBondContact O-CD 3.32Å; D275-P279 VanDerWaalsContact O-CG 3.28Å; D275-P279 WeakPolarHBondContact O-CG 3.36Å
276	S	94.6	Very high	96.2	Very high	38 Å²	38	64.4 Å²	64.4	27%	0.266	32%	0.319	S	S	.	.	H	α-helix	trans	-88.2	-32.6	174.5	-173.8	0	0	0	0	112.8	E205 A273 V274 K280	E205-S276 PolarHBondContact OE1-OG 3.4Å; A273-S276 PolarHBondContact O-N 2.88Å; V274-S276 PolarHBondContact O-N 3.21Å; S276-K280 PolarHBondContact O-NZ 3.33Å; S276-K280 PolarHBondContact OG-NZ 2.98Å
277	I	97.6	Very high	96.2	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-79.4	-47.7	-176.2	-64.4	170.1	0	0	0	110.7	L201 F204 L266 I267 H271 A273 V274 K280 C281	L201-I277 HydrophobicContact CD1-CD1 4.29Å; L201-I277 HydrophobicContact CD1-CG1 3.75Å; F204-I277 HydrophobicContact CD1-CG1 4.42Å; F204-I277 HydrophobicContact CE1-CB 4.43Å; F204-I277 HydrophobicContact CE1-CG1 4.47Å; F204-I277 HydrophobicContact CE1-CG2 3.99Å; F204-I277 HydrophobicContact CE2-CG2 4.41Å; F204-I277 HydrophobicContact CZ-CG2 3.91Å; L266-I277 HydrophobicContact CB-CD1 4.09Å; L266-I277 HydrophobicContact CD1-CD1 4.14Å; I267-I277 HydrophobicContact CD1-CG2 4.09Å; I267-I277 HydrophobicContact CG1-CB 4.45Å; I267-I277 HydrophobicContact CG1-CG2 4.09Å; H271-I277 HydrophobicContact CB-CD1 4.35Å; A273-I277 WeakPolarHBondContact O-CG1 3.13Å; A273-I277 PolarHBondContact O-N 3.47Å; A273-I277 VanDerWaalsContact O-N 3.14Å; V274-I277 PolarHBondContact O-N 3.28Å; I277-K280 WeakPolarHBondContact O-CB 3.38Å; I277-K280 PolarHBondContact O-N 3.14Å; I277-K280 VanDerWaalsContact O-N 3.12Å; I277-C281 PolarHBondContact O-N 3.19Å; I277-C281 VanDerWaalsContact O-N 3.11Å
278	R	97.9	Very high	96.2	Very high	131 Å²	131	64 Å²	64	49%	0.494	32%	0.318	S	S	.	.	H	α-helix	trans	-56	-47.8	-173	-178.2	-173.4	-59	-84.6	-0.4	113.5	I267 V274 K280 C281 V282	I267-R278 HydrophobicContact CD1-CB 3.83Å; I267-R278 HydrophobicContact CD1-CG 4.38Å; V274-R278 WeakPolarHBondContact O-CB 3.3Å; V274-R278 PolarHBondContact O-N 3.49Å; R278-K280 VanDerWaalsContact C-N 3.29Å; R278-K280 PolarHBondContact O-N 2.96Å; R278-C281 PolarHBondContact O-N 2.93Å; R278-V282 WeakPolarHBondContact O-CG2 3.42Å; R278-V282 PolarHBondContact O-N 3.32Å; R278-V282 VanDerWaalsContact O-N 3.14Å
279	P	97.9	Very high	96.2	Very high	74 Å²	74	61.1 Å²	61.1	48%	0.481	31%	0.307	S	S	.	.	H	α-helix	trans	-60.9	-38.4	179.2	-23.4	35.3	0	0	0	112.5	D275 V282 E283	D275-P279 WeakPolarHBondContact O-CD 3.32Å; D275-P279 VanDerWaalsContact O-CG 3.28Å; D275-P279 WeakPolarHBondContact O-CG 3.36Å; P279-V282 PolarHBondContact O-N 3.22Å; P279-E283 WeakPolarHBondContact O-CB 3.27Å; P279-E283 PolarHBondContact O-N 2.82Å
280	K	97.9	Very high	96.3	Very high	37 Å²	37	61.1 Å²	61.1	16%	0.161	30%	0.302	C	S	.	.	H	α-helix	trans	-67	-38.4	179.6	-65.6	-176	-177.9	92.1	0	112.2	F204 E205 F208 S276 I277 R278 E283 L284	F204-K280 HydrophobicContact CD1-CD 4.47Å; F204-K280 HydrophobicContact CE1-CB 3.89Å; F204-K280 HydrophobicContact CE1-CD 4.01Å; F204-K280 HydrophobicContact CZ-CB 4.34Å; E205-K280 HydrophobicContact CG-CD 4.23Å; E205-K280 IonicContact OE1-NZ 2.66Å; E205-K280 PolarHBondContact OE1-NZ 3.27Å; F208-K280 HydrophobicContact CD1-CD 3.94Å; F208-K280 HydrophobicContact CD1-CG 4.31Å; F208-K280 HydrophobicContact CD2-CB 3.72Å; F208-K280 HydrophobicContact CD2-CD 4.37Å; F208-K280 HydrophobicContact CD2-CG 4.21Å; F208-K280 HydrophobicContact CE1-CD 4.24Å; F208-K280 HydrophobicContact CE1-CG 4.19Å; F208-K280 HydrophobicContact CE2-CB 3.72Å; F208-K280 HydrophobicContact CE2-CG 4.08Å; F208-K280 HydrophobicContact CG-CB 4.23Å; F208-K280 HydrophobicContact CG-CD 4.01Å; F208-K280 HydrophobicContact CG-CG 4.32Å; F208-K280 HydrophobicContact CZ-CB 4.23Å; F208-K280 HydrophobicContact CZ-CG 4.08Å; S276-K280 PolarHBondContact O-NZ 3.33Å; S276-K280 PolarHBondContact OG-NZ 2.98Å; I277-K280 WeakPolarHBondContact O-CB 3.38Å; I277-K280 PolarHBondContact O-N 3.14Å; I277-K280 VanDerWaalsContact O-N 3.12Å; R278-K280 VanDerWaalsContact C-N 3.29Å; R278-K280 PolarHBondContact O-N 2.96Å; K280-E283 PolarHBondContact O-N 3.13Å; K280-L284 WeakPolarHBondContact O-CG 3.48Å; K280-L284 PolarHBondContact O-N 3.14Å
281	C	98.1	Very high	96.5	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-44.2	173.4	-64.6	0	0	0	0	112	A260 G263 I277 R278 E283 L284 R285	A260-C281 HydrophobicContact CB-CB 4.3Å; A260-C281 PolarHBondContact O-SG 2.92Å; G263-C281 VanDerWaalsContact CA-SG 3.6Å; I277-C281 PolarHBondContact O-N 3.19Å; I277-C281 VanDerWaalsContact O-N 3.11Å; R278-C281 PolarHBondContact O-N 2.93Å; C281-E283 VanDerWaalsContact C-N 3.31Å; C281-L284 PolarHBondContact O-N 3.09Å; C281-R285 WeakPolarHBondContact O-CG 3.46Å; C281-R285 PolarHBondContact O-N 3.15Å; C281-R285 PolarHBondContact O-NH1 3.44Å
282	V	97.9	Very high	96.5	Very high	86 Å²	86	57.3 Å²	57.3	52%	0.521	29%	0.286	S	S	.	.	H	α-helix	trans	-62	-43.2	176.6	173.3	0	0	0	0	110.3	R278 P279 R285 R286	R278-V282 WeakPolarHBondContact O-CG2 3.42Å; R278-V282 PolarHBondContact O-N 3.32Å; R278-V282 VanDerWaalsContact O-N 3.14Å; P279-V282 PolarHBondContact O-N 3.22Å; V282-R285 PolarHBondContact O-N 3.12Å; V282-R286 WeakPolarHBondContact O-CB 3.47Å; V282-R286 PolarHBondContact O-N 3Å
283	E	97.5	Very high	96.7	Very high	67 Å²	67	58 Å²	58	31%	0.313	30%	0.296	S	S	.	.	H	α-helix	trans	-62.6	-45.8	178.5	-173.2	174.3	176.4	0	0	112.4	F208 K212 P279 K280 C281 R285 R286 V287	F208-E283 HydrophobicContact CE2-CB 4.38Å; F208-E283 HydrophobicContact CE2-CG 4.48Å; F208-E283 HydrophobicContact CZ-CG 4.38Å; F208-E283 WeakPolarHBondContact CZ-OE2 3.46Å; K212-E283 VanDerWaalsContact CE-OE1 3.27Å; K212-E283 WeakPolarHBondContact CE-OE1 3.46Å; K212-E283 IonicContact NZ-OE1 3.22Å; K212-E283 PolarHBondContact NZ-OE1 2.79Å; P279-E283 WeakPolarHBondContact O-CB 3.27Å; P279-E283 PolarHBondContact O-N 2.82Å; K280-E283 PolarHBondContact O-N 3.13Å; C281-E283 VanDerWaalsContact C-N 3.31Å; E283-R285 PolarHBondContact O-N 2.91Å; E283-R286 PolarHBondContact O-N 3.27Å; E283-V287 HydrophobicContact CG-CG2 4.49Å; E283-V287 WeakPolarHBondContact O-CG2 3.46Å; E283-V287 PolarHBondContact O-N 3.11Å
284	L	97.7	Very high	96.8	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-58.9	-46.1	176.5	-76.1	176.4	0	0	0	112.3	F208 V211 A256 H259 A260 K280 C281 R286 V287 C288	F208-L284 HydrophobicContact CD2-CD1 3.86Å; F208-L284 HydrophobicContact CD2-CD2 3.86Å; F208-L284 HydrophobicContact CD2-CG 3.64Å; F208-L284 HydrophobicContact CE2-CD2 4.03Å; F208-L284 HydrophobicContact CE2-CG 3.83Å; V211-L284 HydrophobicContact CG1-CD2 3.96Å; A256-L284 HydrophobicContact CB-CD2 4.29Å; H259-L284 HydrophobicContact CB-CD1 4.05Å; A260-L284 HydrophobicContact CB-CB 4.38Å; K280-L284 WeakPolarHBondContact O-CG 3.48Å; K280-L284 PolarHBondContact O-N 3.14Å; C281-L284 PolarHBondContact O-N 3.09Å; L284-R286 VanDerWaalsContact C-N 3.34Å; L284-R286 PolarHBondContact O-N 3.26Å; L284-V287 PolarHBondContact O-N 3.35Å; L284-C288 PolarHBondContact O-N 2.85Å; L284-C288 PolarHBondContact O-SG 3.44Å
285	R	97.9	Very high	96.7	Very high	80 Å²	80	58.4 Å²	58.4	30%	0.302	29%	0.294	S	S	.	.	H	α-helix	trans	-60.8	-45.6	177.4	-67.6	-175.7	-160.7	99.6	3.5	111.3	A260 D264 C281 V282 E283 V287 C288 D289	A260-R285 HydrophobicContact CB-CG 4.06Å; D264-R285 IonicContact OD1-CZ 2.71Å; D264-R285 IonicContact OD1-NH2 3.4Å; D264-R285 PolarHBondContact OD1-NH2 3.45Å; D264-R285 IonicContact OD2-CZ 2.71Å; D264-R285 IonicContact OD2-NH2 3.57Å; D264-R285 PolarHBondContact OD2-NH2 3.03Å; C281-R285 WeakPolarHBondContact O-CG 3.46Å; C281-R285 PolarHBondContact O-N 3.15Å; C281-R285 PolarHBondContact O-NH1 3.44Å; V282-R285 PolarHBondContact O-N 3.12Å; E283-R285 PolarHBondContact O-N 2.91Å; R285-V287 PolarHBondContact O-N 3.39Å; R285-C288 WeakPolarHBondContact O-CB 3.44Å; R285-C288 PolarHBondContact O-N 3.08Å; R285-D289 VanDerWaalsContact O-CG 3.31Å; R285-D289 PolarHBondContact O-N 2.9Å
286	R	97.3	Very high	96.8	Very high	166 Å²	166	58 Å²	58	63%	0.626	29%	0.286	S	S	*	.	H	α-helix	trans	-58.1	-47.6	177.1	179	-176.1	170.1	157.5	1.3	111.8	V282 E283 L284 C288 D289 D290	V282-R286 WeakPolarHBondContact O-CB 3.47Å; V282-R286 PolarHBondContact O-N 3Å; E283-R286 PolarHBondContact O-N 3.27Å; L284-R286 VanDerWaalsContact C-N 3.34Å; L284-R286 PolarHBondContact O-N 3.26Å; R286-C288 VanDerWaalsContact C-N 3.29Å; R286-C288 PolarHBondContact O-N 3.46Å; R286-D289 PolarHBondContact O-N 3.45Å; R286-D290 IonicContact NE-OD2 3.81Å; R286-D290 PolarHBondContact NE-OD2 2.96Å; R286-D290 VanDerWaalsContact O-CB 3.32Å; R286-D290 WeakPolarHBondContact O-CB 3.11Å; R286-D290 VanDerWaalsContact O-CG 3.22Å; R286-D290 PolarHBondContact O-N 3.38Å
287	V	95.8	Very high	96.7	Very high	20 Å²	20	61.7 Å²	61.7	12%	0.121	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-37.8	-179.8	175	0	0	0	0	111.1	L215 E283 L284 R285 F291	L215-V287 HydrophobicContact CB-CG1 3.77Å; L215-V287 HydrophobicContact CD1-CG1 3.88Å; L215-V287 HydrophobicContact CG-CG1 4.43Å; E283-V287 HydrophobicContact CG-CG2 4.49Å; E283-V287 WeakPolarHBondContact O-CG2 3.46Å; E283-V287 PolarHBondContact O-N 3.11Å; L284-V287 PolarHBondContact O-N 3.35Å; R285-V287 PolarHBondContact O-N 3.39Å; V287-F291 WeakPolarHBondContact O-CB 3.49Å; V287-F291 PolarHBondContact O-N 3.08Å
288	C	97.1	Very high	96.5	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.014	30%	0.298	C	S	.	.	H	α-helix	trans	-61.5	-50	172.6	-68.5	0	0	0	0	112.2	L253 A256 L284 R285 R286 F291 S292	L253-C288 HydrophobicContact CD2-CB 3.93Å; A256-C288 WeakPolarHBondContact CB-SG 3.48Å; L284-C288 PolarHBondContact O-N 2.85Å; L284-C288 PolarHBondContact O-SG 3.44Å; R285-C288 WeakPolarHBondContact O-CB 3.44Å; R285-C288 PolarHBondContact O-N 3.08Å; R286-C288 VanDerWaalsContact C-N 3.29Å; R286-C288 PolarHBondContact O-N 3.46Å; C288-F291 PolarHBondContact O-N 3.39Å; C288-S292 PolarHBondContact O-N 3.11Å; C288-S292 PolarHBondContact O-OG 3.11Å
289	D	96.8	Very high	96.4	Very high	91 Å²	91	57.6 Å²	57.6	49%	0.487	29%	0.288	S	S	.	.	H	α-helix	trans	-62.8	-44.6	-179.6	-67.7	-21.1	0	0	0	111.3	R285 R286 F291 S292 N293	R285-D289 VanDerWaalsContact O-CG 3.31Å; R285-D289 PolarHBondContact O-N 2.9Å; R286-D289 PolarHBondContact O-N 3.45Å; D289-F291 VanDerWaalsContact C-N 3.3Å; D289-F291 PolarHBondContact O-N 3.45Å; D289-S292 PolarHBondContact O-N 3.15Å; D289-N293 VanDerWaalsContact O-CB 3.27Å; D289-N293 WeakPolarHBondContact O-CB 3.37Å; D289-N293 PolarHBondContact O-N 3.02Å; D289-N293 PolarHBondContact O-ND2 3.32Å
290	D	96.1	Very high	96.1	Very high	69 Å²	69	57.6 Å²	57.6	37%	0.369	28%	0.284	S	S	.	.	H	α-helix	trans	-58.6	-42.9	176.7	-74	-15.2	0	0	0	110.5	M219 R286 E294	M219-D290 HydrophobicContact CE-CB 4.07Å; R286-D290 IonicContact NE-OD2 3.81Å; R286-D290 PolarHBondContact NE-OD2 2.96Å; R286-D290 VanDerWaalsContact O-CB 3.32Å; R286-D290 WeakPolarHBondContact O-CB 3.11Å; R286-D290 VanDerWaalsContact O-CG 3.22Å; R286-D290 PolarHBondContact O-N 3.38Å; D290-E294 WeakPolarHBondContact O-CB 3.47Å; D290-E294 PolarHBondContact O-N 3.19Å
291	F	96.4	Very high	95.8	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-51	177.2	-174.5	-81.8	0	0	0	111.9	R218 M219 L222 V249 L253 V287 C288 D289 N293 E294 A295	R218-F291 HydrophobicContact CB-CE2 4.05Å; M219-F291 HydrophobicContact CB-CD2 4.37Å; M219-F291 HydrophobicContact CE-CB 3.8Å; M219-F291 HydrophobicContact CE-CD2 4.2Å; M219-F291 HydrophobicContact CE-CG 4.47Å; M219-F291 HydrophobicContact SD-CD2 4.47Å; L222-F291 HydrophobicContact CB-CE2 4.09Å; L222-F291 HydrophobicContact CD2-CD2 4.05Å; L222-F291 HydrophobicContact CD2-CE1 4.49Å; L222-F291 HydrophobicContact CD2-CE2 3.81Å; L222-F291 HydrophobicContact CD2-CZ 4.04Å; V249-F291 HydrophobicContact CB-CE1 4.13Å; V249-F291 HydrophobicContact CB-CZ 3.94Å; V249-F291 HydrophobicContact CG1-CD1 4.01Å; V249-F291 HydrophobicContact CG1-CE1 3.16Å; V249-F291 HydrophobicContact CG1-CE2 4.38Å; V249-F291 HydrophobicContact CG1-CZ 3.39Å; V249-F291 HydrophobicContact CG2-CE1 4.14Å; V249-F291 HydrophobicContact CG2-CE2 4.11Å; V249-F291 HydrophobicContact CG2-CZ 3.92Å; L253-F291 HydrophobicContact CD1-CD1 4.1Å; L253-F291 HydrophobicContact CD2-CB 4.4Å; L253-F291 HydrophobicContact CD2-CD1 4.42Å; V287-F291 WeakPolarHBondContact O-CB 3.49Å; V287-F291 PolarHBondContact O-N 3.08Å; C288-F291 PolarHBondContact O-N 3.39Å; D289-F291 VanDerWaalsContact C-N 3.3Å; D289-F291 PolarHBondContact O-N 3.45Å; F291-N293 VanDerWaalsContact C-N 3.3Å; F291-N293 PolarHBondContact O-N 2.97Å; F291-E294 PolarHBondContact O-N 3.38Å; F291-A295 HydrophobicContact CE1-CB 4.21Å; F291-A295 WeakPolarHBondContact O-CB 3.4Å; F291-A295 PolarHBondContact O-N 3.3Å
292	S	96.2	Very high	95.6	Very high	60 Å²	60	57.1 Å²	57.1	42%	0.42	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-38.9	-179.5	-67	0	0	0	0	112.2	C288 D289 K296	C288-S292 PolarHBondContact O-N 3.11Å; C288-S292 PolarHBondContact O-OG 3.11Å; D289-S292 PolarHBondContact O-N 3.15Å; S292-K296 VanDerWaalsContact O-CB 3.29Å; S292-K296 WeakPolarHBondContact O-CB 3.17Å; S292-K296 PolarHBondContact O-N 3.28Å
293	N	96.3	Very high	95.3	Very high	104 Å²	104	56.1 Å²	56.1	56%	0.556	28%	0.281	S	S	*	.	H	α-helix	trans	-67.5	-44	177.5	-72.4	-34.3	0	0	0	112	D289 F291 K297	D289-N293 VanDerWaalsContact O-CB 3.27Å; D289-N293 WeakPolarHBondContact O-CB 3.37Å; D289-N293 PolarHBondContact O-N 3.02Å; D289-N293 PolarHBondContact O-ND2 3.32Å; F291-N293 VanDerWaalsContact C-N 3.3Å; F291-N293 PolarHBondContact O-N 2.97Å; N293-K297 VanDerWaalsContact O-CB 3.3Å; N293-K297 WeakPolarHBondContact O-CB 3.49Å; N293-K297 PolarHBondContact O-N 3.41Å
294	E	95.4	Very high	95	Very high	51 Å²	51	55.5 Å²	55.5	24%	0.238	28%	0.277	C	S	.	.	H	α-helix	trans	-68.5	-38.8	178.4	-167.2	61.7	-145.5	0	0	111.6	L222 D290 F291 K297 K298	L222-E294 HydrophobicContact CD2-CB 3.91Å; L222-E294 HydrophobicContact CD2-CG 4.04Å; L222-E294 HydrophobicContact CG-CG 4.48Å; D290-E294 WeakPolarHBondContact O-CB 3.47Å; D290-E294 PolarHBondContact O-N 3.19Å; F291-E294 PolarHBondContact O-N 3.38Å; E294-K297 PolarHBondContact O-N 3.38Å; E294-K297 IonicContact OE1-NZ 3.34Å; E294-K297 PolarHBondContact OE1-NZ 3.15Å; E294-K297 IonicContact OE2-NZ 2.77Å; E294-K298 WeakPolarHBondContact O-CB 3.4Å; E294-K298 PolarHBondContact O-N 2.99Å
295	A	95.4	Very high	94.7	Very high	2 Å²	2	55.6 Å²	55.6	2%	0.017	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-46.3	176.6	0	0	0	0	0	111.3	L222 E246 F291 K297 K298 S299	L222-A295 HydrophobicContact CD1-CB 4.34Å; L222-A295 HydrophobicContact CD2-CB 4.03Å; E246-A295 HydrophobicContact CG-CB 4.28Å; F291-A295 HydrophobicContact CE1-CB 4.21Å; F291-A295 WeakPolarHBondContact O-CB 3.4Å; F291-A295 PolarHBondContact O-N 3.3Å; A295-K297 PolarHBondContact O-N 3.48Å; A295-K298 PolarHBondContact O-N 2.95Å; A295-S299 WeakPolarHBondContact O-CB 3.49Å; A295-S299 PolarHBondContact O-N 3.48Å
296	K	95	Very high	94.4	Very high	133 Å²	133	53.2 Å²	53.2	58%	0.578	27%	0.271	S	S	*	.	H	α-helix	trans	-59.8	-46.5	175.1	-176.1	177	-179.6	179.5	0	112	S292 K298 S299 D300	S292-K296 VanDerWaalsContact O-CB 3.29Å; S292-K296 WeakPolarHBondContact O-CB 3.17Å; S292-K296 PolarHBondContact O-N 3.28Å; K296-K298 VanDerWaalsContact C-N 3.34Å; K296-K298 PolarHBondContact O-N 3.3Å; K296-S299 WeakPolarHBondContact O-CB 3.3Å; K296-S299 PolarHBondContact O-N 3.15Å; K296-D300 PolarHBondContact O-N 2.89Å
297	K	93.1	Very high	94.2	Very high	116 Å²	116	49.3 Å²	49.3	50%	0.504	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-45.3	176.9	177.6	-172.8	163.7	-149.5	0	111.4	N293 E294 A295 D300 V301	N293-K297 VanDerWaalsContact O-CB 3.3Å; N293-K297 WeakPolarHBondContact O-CB 3.49Å; N293-K297 PolarHBondContact O-N 3.41Å; E294-K297 PolarHBondContact O-N 3.38Å; E294-K297 IonicContact OE1-NZ 3.34Å; E294-K297 PolarHBondContact OE1-NZ 3.15Å; E294-K297 IonicContact OE2-NZ 2.77Å; A295-K297 PolarHBondContact O-N 3.48Å; K297-D300 PolarHBondContact O-N 3.2Å; K297-V301 VanDerWaalsContact O-CG2 3.26Å; K297-V301 WeakPolarHBondContact O-CG2 3.44Å; K297-V301 PolarHBondContact O-N 3.01Å
298	K	93.4	Very high	93.9	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-66.1	-39.8	178.6	-167.9	166.8	-67.7	-140	0	112	L222 L225 D227 L242 E294 A295 K296 V301 L302	L222-K298 HydrophobicContact CD1-CD 4.23Å; L222-K298 VanDerWaalsContact O-CE 3.31Å; L222-K298 WeakPolarHBondContact O-CE 3.35Å; L222-K298 PolarHBondContact O-NZ 3.03Å; L225-K298 HydrophobicContact CB-CD 4Å; L225-K298 PolarHBondContact O-NZ 3.33Å; D227-K298 WeakPolarHBondContact OD1-CE 3.48Å; D227-K298 IonicContact OD1-NZ 3.17Å; D227-K298 PolarHBondContact OD1-NZ 3.36Å; L242-K298 HydrophobicContact CD2-CB 4.28Å; L242-K298 HydrophobicContact CD2-CG 4.34Å; E294-K298 WeakPolarHBondContact O-CB 3.4Å; E294-K298 PolarHBondContact O-N 2.99Å; A295-K298 PolarHBondContact O-N 2.95Å; K296-K298 VanDerWaalsContact C-N 3.34Å; K296-K298 PolarHBondContact O-N 3.3Å; K298-V301 PolarHBondContact O-N 3.41Å; K298-L302 HydrophobicContact CG-CD1 4.11Å; K298-L302 WeakPolarHBondContact O-CB 3.45Å; K298-L302 WeakPolarHBondContact O-CG 3.27Å; K298-L302 PolarHBondContact O-N 3Å
299	S	94.3	Very high	93.7	Very high	40 Å²	40	48.6 Å²	48.6	28%	0.28	26%	0.255	S	S	.	.	H	α-helix	trans	-59.6	-46.2	173.3	-170.5	0	0	0	0	111.8	A295 K296 V301 L302 S303	A295-S299 WeakPolarHBondContact O-CB 3.49Å; A295-S299 PolarHBondContact O-N 3.48Å; K296-S299 WeakPolarHBondContact O-CB 3.3Å; K296-S299 PolarHBondContact O-N 3.15Å; S299-V301 PolarHBondContact O-N 3.15Å; S299-L302 PolarHBondContact O-N 3.45Å; S299-S303 VanDerWaalsContact O-CB 3.23Å; S299-S303 WeakPolarHBondContact O-CB 3.3Å; S299-S303 PolarHBondContact O-N 3.3Å
300	D	92.1	Very high	93.4	Very high	75 Å²	75	48.2 Å²	48.2	40%	0.401	25%	0.251	S	S	.	.	H	α-helix	trans	-62.5	-42.2	177.9	-73.9	-16.2	0	0	0	112.2	K296 K297 K304	K296-D300 PolarHBondContact O-N 2.89Å; K297-D300 PolarHBondContact O-N 3.2Å; D300-K304 WeakPolarHBondContact O-CB 3.33Å; D300-K304 WeakPolarHBondContact O-CD 3.43Å; D300-K304 VanDerWaalsContact O-CG 3.29Å; D300-K304 WeakPolarHBondContact O-CG 3.34Å; D300-K304 PolarHBondContact O-N 3.02Å; D300-K304 VanDerWaalsContact O-N 3.15Å
301	V	91.5	Very high	93.2	Very high	26 Å²	26	45.4 Å²	45.4	16%	0.158	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-51.8	176.9	172.6	0	0	0	0	110.5	D227 K297 K298 S299 S303 K304 S305 I372	D227-V301 HydrophobicContact CB-CG1 4.5Å; D227-V301 WeakPolarHBondContact O-CG1 3.41Å; K297-V301 VanDerWaalsContact O-CG2 3.26Å; K297-V301 WeakPolarHBondContact O-CG2 3.44Å; K297-V301 PolarHBondContact O-N 3.01Å; K298-V301 PolarHBondContact O-N 3.41Å; S299-V301 PolarHBondContact O-N 3.15Å; V301-S303 PolarHBondContact O-N 2.95Å; V301-K304 PolarHBondContact O-N 3.48Å; V301-S305 WeakPolarHBondContact O-CB 3.36Å; V301-S305 PolarHBondContact O-N 2.93Å; V301-I372 HydrophobicContact CB-CG2 4.28Å; V301-I372 HydrophobicContact CG1-CG2 4.49Å; V301-I372 HydrophobicContact CG2-CG2 3.65Å
302	L	93.3	Very high	92.9	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-38.9	-178.2	-71.9	172.2	0	0	0	112.1	V235 L238 L239 L242 K298 S299 S305 L306	V235-L302 HydrophobicContact CG1-CB 4.43Å; V235-L302 HydrophobicContact CG1-CD2 4.35Å; V235-L302 VanDerWaalsContact CG1-O 3.26Å; V235-L302 WeakPolarHBondContact CG1-O 3.49Å; L238-L302 HydrophobicContact CB-CD1 4.06Å; L238-L302 HydrophobicContact CB-CD2 4.05Å; L238-L302 HydrophobicContact CD1-CD2 4.03Å; L239-L302 HydrophobicContact CD2-CB 3.53Å; L239-L302 HydrophobicContact CD2-CD1 4.26Å; L239-L302 HydrophobicContact CG-CB 3.86Å; L239-L302 HydrophobicContact CG-CD1 4.48Å; L242-L302 HydrophobicContact CD2-CD1 4.26Å; K298-L302 HydrophobicContact CG-CD1 4.11Å; K298-L302 WeakPolarHBondContact O-CB 3.45Å; K298-L302 WeakPolarHBondContact O-CG 3.27Å; K298-L302 PolarHBondContact O-N 3Å; S299-L302 PolarHBondContact O-N 3.45Å; L302-S305 WeakPolarHBondContact O-CB 3.49Å; L302-S305 PolarHBondContact O-N 3.4Å; L302-L306 WeakPolarHBondContact O-CB 3.45Å; L302-L306 PolarHBondContact O-N 3.35Å
303	S	92.8	Very high	92.7	Very high	66 Å²	66	47.5 Å²	47.5	46%	0.462	24%	0.242	S	C	.	.	H	α-helix	trans	-62.6	-43.7	176.5	-176.7	0	0	0	0	112.1	S299 V301 L306 H307	S299-S303 VanDerWaalsContact O-CB 3.23Å; S299-S303 WeakPolarHBondContact O-CB 3.3Å; S299-S303 PolarHBondContact O-N 3.3Å; V301-S303 PolarHBondContact O-N 2.95Å; S303-L306 WeakPolarHBondContact O-CB 3.37Å; S303-L306 PolarHBondContact O-N 3.32Å; S303-H307 PolarHBondContact O-N 2.86Å
304	K	91.1	Very high	92.4	Very high	54 Å²	54	47.1 Å²	47.1	24%	0.235	24%	0.235	C	C	.	.	H	α-helix	trans	-66.8	-41.4	174.7	-70.8	168	-175.5	165.2	0	111.6	D300 V301 L306 H307 V308 Y369 I372	D300-K304 WeakPolarHBondContact O-CB 3.33Å; D300-K304 WeakPolarHBondContact O-CD 3.43Å; D300-K304 VanDerWaalsContact O-CG 3.29Å; D300-K304 WeakPolarHBondContact O-CG 3.34Å; D300-K304 PolarHBondContact O-N 3.02Å; D300-K304 VanDerWaalsContact O-N 3.15Å; V301-K304 PolarHBondContact O-N 3.48Å; K304-L306 VanDerWaalsContact C-N 3.31Å; K304-L306 PolarHBondContact O-N 3.31Å; K304-H307 PolarHBondContact O-N 2.94Å; K304-V308 WeakPolarHBondContact O-CG2 3.42Å; K304-V308 PolarHBondContact O-N 3.24Å; K304-V308 VanDerWaalsContact O-N 3.12Å; K304-Y369 HydrophobicContact CB-CD1 4.44Å; K304-Y369 HydrophobicContact CB-CD2 4.11Å; K304-Y369 HydrophobicContact CB-CE2 4.39Å; K304-Y369 HydrophobicContact CB-CG 4.14Å; K304-Y369 HydrophobicContact CD-CD1 3.87Å; K304-Y369 HydrophobicContact CD-CE1 4.13Å; K304-Y369 HydrophobicContact CD-CG 4.33Å; K304-Y369 HydrophobicContact CG-CD1 4Å; K304-Y369 HydrophobicContact CG-CD2 4.36Å; K304-Y369 HydrophobicContact CG-CE1 3.98Å; K304-Y369 HydrophobicContact CG-CE2 4.34Å; K304-Y369 HydrophobicContact CG-CG 4.21Å; K304-I372 HydrophobicContact CD-CD1 3.92Å; K304-I372 HydrophobicContact CD-CG2 4.19Å
305	S	91.6	Very high	92.2	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-58	-44.6	174.6	-163.6	0	0	0	0	111.1	V301 L302 H307 V308 H309	V301-S305 WeakPolarHBondContact O-CB 3.36Å; V301-S305 PolarHBondContact O-N 2.93Å; L302-S305 WeakPolarHBondContact O-CB 3.49Å; L302-S305 PolarHBondContact O-N 3.4Å; S305-H307 VanDerWaalsContact C-N 3.32Å; S305-H307 PolarHBondContact O-N 2.92Å; S305-V308 PolarHBondContact O-N 3.3Å; S305-H309 PolarHBondContact O-CD2 3.01Å; S305-H309 PolarHBondContact O-N 2.92Å
306	L	92.5	Very high	92	Very high	30 Å²	30	46.5 Å²	46.5	16%	0.157	23%	0.233	C	C	.	.	H	α-helix	trans	-56.9	-47.9	177.8	-179.9	61.8	0	0	0	111.1	V232 V235 E236 L239 L302 S303 K304 V308 H309 M310	V232-L306 HydrophobicContact CG1-CD1 3.8Å; V235-L306 HydrophobicContact CB-CD1 4.27Å; V235-L306 HydrophobicContact CG1-CB 3.74Å; V235-L306 HydrophobicContact CG1-CD1 4.31Å; E236-L306 HydrophobicContact CG-CD1 3.68Å; E236-L306 HydrophobicContact CG-CD2 4.3Å; L239-L306 HydrophobicContact CD1-CB 4.46Å; L239-L306 HydrophobicContact CD1-CD2 3.87Å; L302-L306 WeakPolarHBondContact O-CB 3.45Å; L302-L306 PolarHBondContact O-N 3.35Å; S303-L306 WeakPolarHBondContact O-CB 3.37Å; S303-L306 PolarHBondContact O-N 3.32Å; K304-L306 VanDerWaalsContact C-N 3.31Å; K304-L306 PolarHBondContact O-N 3.31Å; L306-V308 VanDerWaalsContact C-N 3.29Å; L306-V308 PolarHBondContact O-N 2.97Å; L306-H309 PolarHBondContact O-N 3.41Å; L306-M310 HydrophobicContact CD1-CG 4.5Å; L306-M310 HydrophobicContact CG-SD 4.31Å; L306-M310 WeakPolarHBondContact O-CG 3.24Å; L306-M310 PolarHBondContact O-N 3.22Å
307	H	91.1	Very high	91.9	Very high	84 Å²	84	45.1 Å²	45.1	39%	0.389	23%	0.229	S	C	.	.	H	α-helix	trans	-61.4	-38.6	-179.7	-162.1	70.7	0	0	0	112.4	S303 K304 S305 G311 L365	S303-H307 PolarHBondContact O-N 2.86Å; K304-H307 PolarHBondContact O-N 2.94Å; S305-H307 VanDerWaalsContact C-N 3.32Å; S305-H307 PolarHBondContact O-N 2.92Å; H307-G311 PolarHBondContact O-N 2.92Å; H307-G311 VanDerWaalsContact O-N 3.08Å; H307-L365 WeakPolarHBondContact CD2-CD1 3.27Å; H307-L365 WeakPolarHBondContact CD2-CD2 3.31Å; H307-L365 WeakPolarHBondContact NE2-CD2 3.32Å
308	V	91.1	Very high	91.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.1	-44.7	174.9	173.7	0	0	0	0	111.6	K304 S305 L306 M310 G311 I312 L362 Y369 L373 V377 V381	K304-V308 WeakPolarHBondContact O-CG2 3.42Å; K304-V308 PolarHBondContact O-N 3.24Å; K304-V308 VanDerWaalsContact O-N 3.12Å; S305-V308 PolarHBondContact O-N 3.3Å; L306-V308 VanDerWaalsContact C-N 3.29Å; L306-V308 PolarHBondContact O-N 2.97Å; V308-M310 VanDerWaalsContact C-N 3.34Å; V308-M310 PolarHBondContact O-N 2.84Å; V308-G311 WeakPolarHBondContact O-CA 3.25Å; V308-G311 PolarHBondContact O-N 3.39Å; V308-G311 VanDerWaalsContact O-N 3.12Å; V308-I312 HydrophobicContact CG1-CD1 4.15Å; V308-I312 WeakPolarHBondContact O-CG1 3.38Å; V308-I312 PolarHBondContact O-N 3.26Å; V308-L362 HydrophobicContact CG1-CD1 4.37Å; V308-Y369 HydrophobicContact CG2-CD2 3.94Å; V308-L373 HydrophobicContact CB-CD2 4.5Å; V308-L373 HydrophobicContact CG1-CD1 4.47Å; V308-L373 HydrophobicContact CG2-CD1 3.92Å; V308-L373 HydrophobicContact CG2-CD2 4.05Å; V308-V377 HydrophobicContact CG1-CG1 3.9Å; V308-V381 HydrophobicContact CG1-CG2 3.26Å
309	H	91.5	Very high	91.8	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-39	176.8	-77.9	-75.5	0	0	0	112.5	G229 D230 V232 S305 L306 G311 I312 E313	G229-H309 PolarHBondContact O-CE1 2.99Å; G229-H309 PolarHBondContact O-NE2 2.98Å; D230-H309 PolarHBondContact O-CE1 3.16Å; V232-H309 HydrophobicContact CG2-CB 3.7Å; S305-H309 PolarHBondContact O-CD2 3.01Å; S305-H309 PolarHBondContact O-N 2.92Å; L306-H309 PolarHBondContact O-N 3.41Å; H309-G311 VanDerWaalsContact C-N 3.29Å; H309-G311 PolarHBondContact O-N 3.28Å; H309-I312 WeakPolarHBondContact O-CB 3.5Å; H309-I312 PolarHBondContact O-N 2.95Å; H309-E313 PolarHBondContact O-N 2.68Å
310	M	91.5	Very high	91.7	Very high	82 Å²	82	43 Å²	43	40%	0.404	22%	0.216	S	C	.	.	H	α-helix	trans	-61.1	-39.7	172.6	-69.2	177.1	76	0	0	111.5	V232 L306 V308 E313 K314	V232-M310 HydrophobicContact CG1-CG 4.36Å; V232-M310 HydrophobicContact CG2-CG 4.1Å; L306-M310 HydrophobicContact CD1-CG 4.5Å; L306-M310 HydrophobicContact CG-SD 4.31Å; L306-M310 WeakPolarHBondContact O-CG 3.24Å; L306-M310 PolarHBondContact O-N 3.22Å; V308-M310 VanDerWaalsContact C-N 3.34Å; V308-M310 PolarHBondContact O-N 2.84Å; M310-E313 PolarHBondContact O-N 3.47Å; M310-K314 WeakPolarHBondContact O-CG 3.26Å; M310-K314 PolarHBondContact O-N 3.06Å
311	G	90.8	Very high	91.7	Very high	10 Å²	10	42.5 Å²	42.5	10%	0.103	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-44.3	173.5	0	0	0	0	0	112.8	H307 V308 H309 E313 K314 V315	H307-G311 PolarHBondContact O-N 2.92Å; H307-G311 VanDerWaalsContact O-N 3.08Å; V308-G311 WeakPolarHBondContact O-CA 3.25Å; V308-G311 PolarHBondContact O-N 3.39Å; V308-G311 VanDerWaalsContact O-N 3.12Å; H309-G311 VanDerWaalsContact C-N 3.29Å; H309-G311 PolarHBondContact O-N 3.28Å; G311-E313 VanDerWaalsContact C-N 3.31Å; G311-E313 PolarHBondContact O-N 3.36Å; G311-K314 PolarHBondContact O-N 3.13Å; G311-V315 WeakPolarHBondContact O-CG2 3.32Å; G311-V315 PolarHBondContact O-N 2.98Å
312	I	91.1	Very high	91.7	Very high	17 Å²	17	41.3 Å²	41.3	9%	0.087	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-44.7	174.2	-69.6	169.3	0	0	0	110.7	V308 H309 V315 N316 L362 V381 A384	V308-I312 HydrophobicContact CG1-CD1 4.15Å; V308-I312 WeakPolarHBondContact O-CG1 3.38Å; V308-I312 PolarHBondContact O-N 3.26Å; H309-I312 WeakPolarHBondContact O-CB 3.5Å; H309-I312 PolarHBondContact O-N 2.95Å; I312-V315 PolarHBondContact O-N 3.15Å; I312-N316 WeakPolarHBondContact CG2-ND2 3.29Å; I312-N316 WeakPolarHBondContact O-CB 3.5Å; I312-N316 PolarHBondContact O-N 3.32Å; I312-N316 PolarHBondContact O-ND2 2.75Å; I312-L362 HydrophobicContact CG1-CD1 4.05Å; I312-L362 HydrophobicContact CG1-CD2 4.07Å; I312-V381 HydrophobicContact CD1-CG2 3.79Å; I312-V381 HydrophobicContact CG1-CG2 4.19Å; I312-A384 HydrophobicContact CB-CB 4.48Å; I312-A384 HydrophobicContact CG1-CB 4.28Å; I312-A384 HydrophobicContact CG2-CB 3.99Å
313	E	91.3	Very high	91.6	Very high	91 Å²	91	44.6 Å²	44.6	43%	0.425	23%	0.228	S	C	.	.	H	α-helix	trans	-64.7	-44.2	-179.5	-164.9	173.7	178.6	0	0	111.8	V232 H309 M310 G311 V315 N316 Q317	V232-E313 WeakPolarHBondContact CG2-OE2 3.32Å; H309-E313 PolarHBondContact O-N 2.68Å; M310-E313 PolarHBondContact O-N 3.47Å; G311-E313 VanDerWaalsContact C-N 3.31Å; G311-E313 PolarHBondContact O-N 3.36Å; E313-V315 PolarHBondContact O-N 3.2Å; E313-N316 PolarHBondContact O-N 2.91Å; E313-Q317 HydrophobicContact CG-CG 4.49Å; E313-Q317 WeakPolarHBondContact O-CB 3.5Å; E313-Q317 VanDerWaalsContact O-CG 3.29Å; E313-Q317 WeakPolarHBondContact O-CG 3.46Å; E313-Q317 PolarHBondContact O-N 3.06Å; E313-Q317 PolarHBondContact OE1-NE2 2.77Å
314	K	91	Very high	91.5	Very high	96 Å²	96	49.8 Å²	49.8	42%	0.417	24%	0.239	S	C	.	.	H	α-helix	trans	-57.4	-45.7	172.9	-73.2	177.7	-178.5	-179.2	0	112.3	M310 G311 Q317 W318	M310-K314 WeakPolarHBondContact O-CG 3.26Å; M310-K314 PolarHBondContact O-N 3.06Å; G311-K314 PolarHBondContact O-N 3.13Å; K314-Q317 PolarHBondContact O-N 3.47Å; K314-W318 WeakPolarHBondContact O-CB 3.47Å; K314-W318 PolarHBondContact O-N 3.31Å
315	V	91.1	Very high	91.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-45.7	177.7	171.2	0	0	0	0	111	G311 I312 E313 W318 C319 V359 L362 A384 L388	G311-V315 WeakPolarHBondContact O-CG2 3.32Å; G311-V315 PolarHBondContact O-N 2.98Å; I312-V315 PolarHBondContact O-N 3.15Å; E313-V315 PolarHBondContact O-N 3.2Å; V315-W318 PolarHBondContact O-N 3.36Å; V315-C319 WeakPolarHBondContact O-CB 3.23Å; V315-C319 PolarHBondContact O-N 3.32Å; V315-C319 PolarHBondContact O-SG 3.14Å; V315-V359 HydrophobicContact CB-CG1 4.37Å; V315-V359 HydrophobicContact CG1-CG1 4.48Å; V315-V359 HydrophobicContact CG2-CG1 3.83Å; V315-V359 WeakPolarHBondContact CG2-O 3.33Å; V315-L362 HydrophobicContact CB-CD2 4.33Å; V315-L362 HydrophobicContact CG2-CB 4.03Å; V315-L362 HydrophobicContact CG2-CD2 3.75Å; V315-A384 HydrophobicContact CG1-CB 4.37Å; V315-L388 HydrophobicContact CG1-CB 3.89Å; V315-L388 HydrophobicContact CG1-CD1 4.47Å; V315-L388 HydrophobicContact CG1-CD2 4.4Å; V315-L388 HydrophobicContact CG1-CG 4.49Å
316	N	91.7	Very high	91.4	Very high	40 Å²	40	50.2 Å²	50.2	21%	0.214	24%	0.243	C	C	.	.	H	α-helix	trans	-63.9	-44.3	178.7	-79	-41.1	0	0	0	112.2	I312 E313 W318 C319 E320 R387	I312-N316 WeakPolarHBondContact CG2-ND2 3.29Å; I312-N316 WeakPolarHBondContact O-CB 3.5Å; I312-N316 PolarHBondContact O-N 3.32Å; I312-N316 PolarHBondContact O-ND2 2.75Å; E313-N316 PolarHBondContact O-N 2.91Å; N316-W318 VanDerWaalsContact C-N 3.35Å; N316-W318 PolarHBondContact O-N 3.39Å; N316-C319 WeakPolarHBondContact O-CB 3.3Å; N316-C319 PolarHBondContact O-N 3.24Å; N316-E320 WeakPolarHBondContact O-CG 3.39Å; N316-E320 PolarHBondContact O-N 3.01Å; N316-R387 WeakPolarHBondContact OD1-CD 3.24Å; N316-R387 PolarHBondContact OD1-NH1 2.75Å
317	Q	91.7	Very high	91.2	Very high	103 Å²	103	52.6 Å²	52.6	48%	0.481	27%	0.267	S	S	.	.	H	α-helix	trans	-61.8	-41	176.9	-73.6	175.6	5.4	0	0	112.1	E313 K314 E320 S321	E313-Q317 HydrophobicContact CG-CG 4.49Å; E313-Q317 WeakPolarHBondContact O-CB 3.5Å; E313-Q317 VanDerWaalsContact O-CG 3.29Å; E313-Q317 WeakPolarHBondContact O-CG 3.46Å; E313-Q317 PolarHBondContact O-N 3.06Å; E313-Q317 PolarHBondContact OE1-NE2 2.77Å; K314-Q317 PolarHBondContact O-N 3.47Å; Q317-E320 PolarHBondContact O-N 3.36Å; Q317-S321 WeakPolarHBondContact O-CB 3.45Å; Q317-S321 PolarHBondContact O-N 3.33Å; Q317-S321 PolarHBondContact O-OG 3.15Å
318	W	92.8	Very high	90.9	Very high	9 Å²	9	51.9 Å²	51.9	3%	0.034	27%	0.271	C	S	.	.	H	α-helix	trans	-63.5	-46.3	173.8	-175.4	88.2	0	0	0	111.3	K314 V315 N316 E320 S321 G322 F350 L351 S353 A354 V359 L388 V391 Q392 F395	K314-W318 WeakPolarHBondContact O-CB 3.47Å; K314-W318 PolarHBondContact O-N 3.31Å; V315-W318 PolarHBondContact O-N 3.36Å; N316-W318 VanDerWaalsContact C-N 3.35Å; N316-W318 PolarHBondContact O-N 3.39Å; W318-E320 VanDerWaalsContact C-N 3.32Å; W318-E320 PolarHBondContact O-N 2.71Å; W318-S321 PolarHBondContact O-N 3Å; W318-G322 PolarHBondContact O-N 3.45Å; W318-F350 AromaticContact CD1-CZ 3.92Å; W318-F350 HydrophobicContact CD2-CE1 4.04Å; W318-F350 HydrophobicContact CD2-CZ 4.15Å; W318-F350 AromaticContact CE2-CE1 3.38Å; W318-F350 AromaticContact CE2-CZ 3.76Å; W318-F350 HydrophobicContact CG-CZ 4.26Å; W318-F350 AromaticContact CH2-CE1 3.99Å; W318-F350 HydrophobicContact CH2-CE1 3.99Å; W318-F350 AromaticContact CZ2-CD1 3.86Å; W318-F350 HydrophobicContact CZ2-CD1 3.86Å; W318-F350 AromaticContact CZ2-CE1 3.37Å; W318-F350 HydrophobicContact CZ2-CE1 3.37Å; W318-F350 HydrophobicContact CZ2-CZ 4.23Å; W318-F350 AromaticContact NE1-CE1 3.61Å; W318-F350 AromaticContact NE1-CZ 3.61Å; W318-F350 WeakPolarHBondContact O-CZ 3.18Å; W318-L351 HydrophobicContact CH2-CD2 4.37Å; W318-L351 HydrophobicContact CZ2-CD2 4.37Å; W318-S353 PolarHBondContact NE1-OG 2.94Å; W318-A354 HydrophobicContact CZ2-CB 3.83Å; W318-V359 HydrophobicContact CB-CG1 4.34Å; W318-V359 HydrophobicContact CB-CG2 3.87Å; W318-V359 HydrophobicContact CD2-CG1 4.32Å; W318-V359 HydrophobicContact CD2-CG2 4.45Å; W318-V359 HydrophobicContact CE3-CG1 4.42Å; W318-V359 HydrophobicContact CG-CG1 4.3Å; W318-V359 HydrophobicContact CG-CG2 3.78Å; W318-L388 HydrophobicContact CD2-CD1 4.48Å; W318-L388 HydrophobicContact CE3-CD1 3.51Å; W318-L388 HydrophobicContact CH2-CD1 4.34Å; W318-L388 HydrophobicContact CZ3-CD1 3.44Å; W318-L388 VanDerWaalsContact CZ3-CD1 3.44Å; W318-V391 HydrophobicContact CH2-CG1 4.47Å; W318-V391 HydrophobicContact CZ3-CB 4.47Å; W318-V391 HydrophobicContact CZ3-CG1 3.91Å; W318-Q392 HydrophobicContact CH2-CG 4.23Å; W318-Q392 HydrophobicContact CZ3-CG 4.46Å; W318-F395 HydrophobicContact CH2-CD2 4.46Å; W318-F395 HydrophobicContact CH2-CE2 4.32Å
319	C	91.9	Very high	90.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.2	-42.5	177.2	-69.4	0	0	0	0	112.1	V315 N316 G322 I323 R387 V391	V315-C319 WeakPolarHBondContact O-CB 3.23Å; V315-C319 PolarHBondContact O-N 3.32Å; V315-C319 PolarHBondContact O-SG 3.14Å; N316-C319 WeakPolarHBondContact O-CB 3.3Å; N316-C319 PolarHBondContact O-N 3.24Å; C319-G322 PolarHBondContact O-N 3.15Å; C319-I323 VanDerWaalsContact O-CG1 3.25Å; C319-I323 WeakPolarHBondContact O-CG1 3.41Å; C319-I323 PolarHBondContact O-N 3.27Å; C319-R387 HydrophobicContact CB-CG 4.21Å; C319-V391 HydrophobicContact CB-CG2 4.06Å
320	E	93	Very high	89.9	Confident	107 Å²	107	54.1 Å²	54.1	50%	0.5	29%	0.289	S	S	.	.	H	α-helix	trans	-65.1	-44.6	178.2	-75.1	175.6	-173.9	0	0	112.3	N316 Q317 W318 G322 I323 Y324 R387	N316-E320 WeakPolarHBondContact O-CG 3.39Å; N316-E320 PolarHBondContact O-N 3.01Å; Q317-E320 PolarHBondContact O-N 3.36Å; W318-E320 VanDerWaalsContact C-N 3.32Å; W318-E320 PolarHBondContact O-N 2.71Å; E320-G322 VanDerWaalsContact C-N 3.27Å; E320-G322 PolarHBondContact O-N 3.25Å; E320-I323 PolarHBondContact O-N 3.18Å; E320-Y324 WeakPolarHBondContact O-CB 3.33Å; E320-Y324 PolarHBondContact O-N 3.22Å; E320-R387 IonicContact OE1-CZ 2.81Å; E320-R387 IonicContact OE1-NH1 2.7Å; E320-R387 IonicContact OE1-NH2 2.83Å; E320-R387 PolarHBondContact OE1-NH2 3.16Å; E320-R387 VanDerWaalsContact OE1-NH2 3.17Å
321	S	91.6	Very high	89	Confident	65 Å²	65	54.7 Å²	54.7	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-60.8	-38.9	174.4	-58.4	0	0	0	0	111.5	Q317 W318 Y324 L325	Q317-S321 WeakPolarHBondContact O-CB 3.45Å; Q317-S321 PolarHBondContact O-N 3.33Å; Q317-S321 PolarHBondContact O-OG 3.15Å; W318-S321 PolarHBondContact O-N 3Å; S321-Y324 PolarHBondContact O-N 3.38Å; S321-L325 WeakPolarHBondContact O-CB 3.16Å; S321-L325 PolarHBondContact O-N 3.19Å
322	G	91.1	Very high	87.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-69.4	-43.2	178.7	0	0	0	0	0	113.2	W318 C319 E320 Y324 L325 L326 F350 F395	W318-G322 PolarHBondContact O-N 3.45Å; C319-G322 PolarHBondContact O-N 3.15Å; E320-G322 VanDerWaalsContact C-N 3.27Å; E320-G322 PolarHBondContact O-N 3.25Å; G322-Y324 VanDerWaalsContact C-N 3.31Å; G322-Y324 PolarHBondContact O-N 2.92Å; G322-L325 WeakPolarHBondContact O-CB 3.36Å; G322-L325 PolarHBondContact O-N 3.48Å; G322-L326 WeakPolarHBondContact O-CG 3.01Å; G322-L326 PolarHBondContact O-N 2.95Å; G322-F350 VanDerWaalsContact CA-CE1 3.4Å; G322-F350 VanDerWaalsContact N-CZ 3.29Å; G322-F395 WeakPolarHBondContact O-CZ 3.47Å
323	I	91.8	Very high	86.9	Confident	71 Å²	71	66.9 Å²	66.9	36%	0.364	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-42.6	173.4	-68.3	164	0	0	0	110.3	C319 E320 L326 A327 V391	C319-I323 VanDerWaalsContact O-CG1 3.25Å; C319-I323 WeakPolarHBondContact O-CG1 3.41Å; C319-I323 PolarHBondContact O-N 3.27Å; E320-I323 PolarHBondContact O-N 3.18Å; I323-L326 PolarHBondContact O-N 3.2Å; I323-A327 WeakPolarHBondContact O-CB 3.15Å; I323-A327 PolarHBondContact O-N 3.37Å; I323-V391 HydrophobicContact CD1-CG2 3.93Å; I323-V391 HydrophobicContact CG1-CG2 3.89Å
324	Y	91.1	Very high	86.2	Confident	175 Å²	175	63 Å²	63	69%	0.686	33%	0.334	S	S	*	.	H	α-helix	trans	-62.3	-42.6	176.2	-178	-95.2	0	0	0	112.1	E320 S321 G322 L326 A327 S328	E320-Y324 WeakPolarHBondContact O-CB 3.33Å; E320-Y324 PolarHBondContact O-N 3.22Å; S321-Y324 PolarHBondContact O-N 3.38Å; G322-Y324 VanDerWaalsContact C-N 3.31Å; G322-Y324 PolarHBondContact O-N 2.92Å; Y324-L326 PolarHBondContact O-N 3.09Å; Y324-A327 PolarHBondContact O-N 3.43Å; Y324-S328 WeakPolarHBondContact O-CB 3.48Å; Y324-S328 PolarHBondContact O-N 3.04Å; Y324-S328 PolarHBondContact O-OG 2.79Å
325	L	90.9	Very high	85.4	Confident	33 Å²	33	65.1 Å²	65.1	17%	0.173	35%	0.346	C	S	.	.	H	α-helix	trans	-58.6	-49.4	174.2	178.9	62.7	0	0	0	110.9	S321 G322 A327 S328 Q329 D346 F350 F395	S321-L325 WeakPolarHBondContact O-CB 3.16Å; S321-L325 PolarHBondContact O-N 3.19Å; G322-L325 WeakPolarHBondContact O-CB 3.36Å; G322-L325 PolarHBondContact O-N 3.48Å; L325-A327 VanDerWaalsContact C-N 3.3Å; L325-A327 PolarHBondContact O-N 3.14Å; L325-S328 PolarHBondContact O-N 3.04Å; L325-S328 PolarHBondContact O-OG 3.43Å; L325-Q329 PolarHBondContact O-N 3.05Å; L325-D346 HydrophobicContact CD1-CB 4.35Å; L325-F350 HydrophobicContact CD2-CB 3.53Å; L325-F350 HydrophobicContact CD2-CD1 4.3Å; L325-F350 HydrophobicContact CD2-CD2 4.03Å; L325-F350 HydrophobicContact CD2-CG 3.68Å; L325-F395 HydrophobicContact CD2-CE1 4.05Å; L325-F395 HydrophobicContact CD2-CZ 4.27Å
326	L	88.8	Confident	84.9	Confident	32 Å²	32	68.1 Å²	68.1	17%	0.168	37%	0.367	C	S	.	.	H	α-helix	trans	-60.4	-39.6	177.8	-70.7	172.5	0	0	0	112.4	G322 I323 Y324 I347 M394 F395 R398	G322-L326 WeakPolarHBondContact O-CG 3.01Å; G322-L326 PolarHBondContact O-N 2.95Å; I323-L326 PolarHBondContact O-N 3.2Å; Y324-L326 PolarHBondContact O-N 3.09Å; L326-I347 HydrophobicContact CD2-CD1 4.5Å; L326-M394 HydrophobicContact CD1-CB 3.76Å; L326-F395 HydrophobicContact CD1-CD1 4.33Å; L326-F395 HydrophobicContact CD1-CD2 4.37Å; L326-F395 HydrophobicContact CD1-CE1 4.28Å; L326-F395 HydrophobicContact CD1-CE2 4.3Å; L326-F395 HydrophobicContact CD1-CG 4.38Å; L326-F395 HydrophobicContact CD1-CZ 4.26Å; L326-F395 HydrophobicContact CD2-CD1 3.72Å; L326-F395 HydrophobicContact CD2-CE1 3.74Å; L326-F395 HydrophobicContact CD2-CG 4.45Å; L326-F395 HydrophobicContact CD2-CZ 4.47Å; L326-F395 HydrophobicContact CG-CD1 4.11Å; L326-F395 HydrophobicContact CG-CE1 3.77Å; L326-F395 HydrophobicContact CG-CZ 4.01Å; L326-R398 HydrophobicContact CD2-CB 3.96Å; L326-R398 HydrophobicContact CD2-CG 3.9Å
327	A	87.6	Confident	84.4	Confident	81 Å²	81	71.1 Å²	71.1	67%	0.669	38%	0.379	S	S	*	.	H	α-helix	trans	-70.9	-31	178.2	0	0	0	0	0	113.3	I323 Y324 L325 Q329	I323-A327 WeakPolarHBondContact O-CB 3.15Å; I323-A327 PolarHBondContact O-N 3.37Å; Y324-A327 PolarHBondContact O-N 3.43Å; L325-A327 VanDerWaalsContact C-N 3.3Å; L325-A327 PolarHBondContact O-N 3.14Å; A327-Q329 VanDerWaalsContact C-N 3.28Å; A327-Q329 PolarHBondContact O-N 3.24Å
328	S	86.2	Confident	83.9	Confident	68 Å²	68	73.9 Å²	73.9	48%	0.476	39%	0.392	S	S	.	.	H	α-helix	trans	-77.9	-11.4	-179.8	63.6	0	0	0	0	113.8	Y324 L325 A330	Y324-S328 WeakPolarHBondContact O-CB 3.48Å; Y324-S328 PolarHBondContact O-N 3.04Å; Y324-S328 PolarHBondContact O-OG 2.79Å; L325-S328 PolarHBondContact O-N 3.04Å; L325-S328 PolarHBondContact O-OG 3.43Å; S328-A330 PolarHBondContact O-N 3.08Å
329	Q	85.3	Confident	83.5	Confident	18 Å²	18	74.3 Å²	74.3	8%	0.084	40%	0.399	C	S	.	.	S	Bend	trans	-73.5	87.1	172.6	-69	-174	-3.8	0	0	111.9	L325 A327 V331 A343	L325-Q329 PolarHBondContact O-N 3.05Å; A327-Q329 VanDerWaalsContact C-N 3.28Å; A327-Q329 PolarHBondContact O-N 3.24Å; Q329-V331 PolarHBondContact O-N 2.9Å; Q329-A343 HydrophobicContact CG-CB 4.42Å; Q329-A343 PolarHBondContact NE2-O 3.45Å; Q329-A343 VanDerWaalsContact NE2-O 3.17Å
330	A	76.3	Confident	83.1	Confident	38 Å²	38	74.3 Å²	74.3	31%	0.314	40%	0.399	S	S	.	.			trans	-55	126.8	175.3	0	0	0	0	0	111.7	S328 D332 K333 C334	S328-A330 PolarHBondContact O-N 3.08Å; A330-D332 VanDerWaalsContact C-N 3.27Å; A330-D332 PolarHBondContact O-N 3.02Å; A330-K333 HydrophobicContact CB-CB 4.32Å; A330-K333 HydrophobicContact CB-CD 4.25Å; A330-K333 HydrophobicContact CB-CG 4.17Å; A330-K333 PolarHBondContact O-N 2.82Å; A330-C334 PolarHBondContact O-N 2.67Å; A330-C334 PolarHBondContact O-SG 3.17Å
331	V	72.1	Confident	82.7	Confident	93 Å²	93	73.2 Å²	73.2	56%	0.564	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-41.1	-174.3	179.6	0	0	0	0	111.2	Q329 C334 Q335	Q329-V331 PolarHBondContact O-N 2.9Å; V331-C334 PolarHBondContact O-N 3.15Å; V331-Q335 WeakPolarHBondContact O-CG 3.49Å
332	D	67.3	Low	82.4	Confident	125 Å²	125	73.3 Å²	73.3	67%	0.668	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-37.5	-177.4	-0.6	-53	0	0	0	112.2	A330 C334	A330-D332 VanDerWaalsContact C-N 3.27Å; A330-D332 PolarHBondContact O-N 3.02Å; D332-C334 VanDerWaalsContact C-N 3.35Å
333	K	71.3	Confident	82.3	Confident	159 Å²	159	73.6 Å²	73.6	69%	0.691	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-73.7	-26.3	176.3	-65.6	-174.4	-179.3	179.8	0	112.6	A330 Q335 S336 G339	A330-K333 HydrophobicContact CB-CB 4.32Å; A330-K333 HydrophobicContact CB-CD 4.25Å; A330-K333 HydrophobicContact CB-CG 4.17Å; A330-K333 PolarHBondContact O-N 2.82Å; K333-Q335 VanDerWaalsContact C-N 3.31Å; K333-Q335 PolarHBondContact O-N 3.02Å; K333-S336 PolarHBondContact O-OG 3.1Å; K333-G339 WeakPolarHBondContact O-CA 3.37Å
334	C	75.7	Confident	82.1	Confident	8 Å²	8	70.9 Å²	70.9	5%	0.054	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-85.3	3.3	179.8	-59.3	0	0	0	0	113.8	A330 V331 D332 L402	A330-C334 PolarHBondContact O-N 2.67Å; A330-C334 PolarHBondContact O-SG 3.17Å; V331-C334 PolarHBondContact O-N 3.15Å; D332-C334 VanDerWaalsContact C-N 3.35Å; C334-L402 HydrophobicContact CB-CD2 4.06Å
335	Q	74.8	Confident	82	Confident	142 Å²	142	65.9 Å²	65.9	66%	0.664	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-85.3	-21.6	178.3	-70.4	-179.4	21.9	0	0	113.5	V331 K333	V331-Q335 WeakPolarHBondContact O-CG 3.49Å; K333-Q335 VanDerWaalsContact C-N 3.31Å; K333-Q335 PolarHBondContact O-N 3.02Å
336	S	80.5	Confident	81.9	Confident	63 Å²	63	67.6 Å²	67.6	44%	0.441	38%	0.381	S	S	.	.	S	Bend	trans	-78.1	150.4	170.6	64.7	0	0	0	0	110.1	K333 E338 G339 A340	K333-S336 PolarHBondContact O-OG 3.1Å; S336-E338 VanDerWaalsContact C-N 3.3Å; S336-E338 PolarHBondContact O-N 3.22Å; S336-G339 PolarHBondContact O-N 3.13Å; S336-G339 PolarHBondContact OG-N 3.41Å; S336-G339 VanDerWaalsContact OG-N 3.07Å; S336-A340 WeakPolarHBondContact O-CB 3.48Å; S336-A340 PolarHBondContact O-N 3.26Å
337	Q	80.8	Confident	82	Confident	103 Å²	103	66 Å²	66	48%	0.481	37%	0.373	S	S	.	.	H	α-helix	trans	-56.6	-46.9	176.5	-179.4	179.2	-12.2	0	0	111.1	G339 A340 E341	Q337-G339 PolarHBondContact O-N 3.45Å; Q337-A340 PolarHBondContact O-N 3.19Å; Q337-E341 WeakPolarHBondContact CG-OE1 3.13Å; Q337-E341 PolarHBondContact NE2-OE1 3.49Å; Q337-E341 WeakPolarHBondContact O-CG 3.26Å; Q337-E341 PolarHBondContact O-N 3.31Å
338	E	81.2	Confident	82	Confident	161 Å²	161	65.7 Å²	65.7	75%	0.752	36%	0.357	S	S	*	.	H	α-helix	trans	-62.6	-39.6	178.5	-169.4	177.1	-169.9	0	0	112.4	S336 E341 S342	S336-E338 VanDerWaalsContact C-N 3.3Å; S336-E338 PolarHBondContact O-N 3.22Å; E338-E341 PolarHBondContact O-N 2.71Å; E338-S342 WeakPolarHBondContact O-CB 3.42Å; E338-S342 PolarHBondContact O-N 2.96Å
339	G	83.6	Confident	82.1	Confident	18 Å²	18	66.7 Å²	66.7	19%	0.186	36%	0.357	C	S	.	.	H	α-helix	trans	-71.3	-33.3	176.8	0	0	0	0	0	113.5	K333 S336 Q337 A343	K333-G339 WeakPolarHBondContact O-CA 3.37Å; S336-G339 PolarHBondContact O-N 3.13Å; S336-G339 PolarHBondContact OG-N 3.41Å; S336-G339 VanDerWaalsContact OG-N 3.07Å; Q337-G339 PolarHBondContact O-N 3.45Å; G339-A343 WeakPolarHBondContact O-CB 3.42Å; G339-A343 PolarHBondContact O-N 2.89Å; G339-A343 VanDerWaalsContact O-N 3.09Å
340	A	83.8	Confident	82.4	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-70.1	-38.5	173.2	0	0	0	0	0	112.4	S336 Q337 L344 L402 L405	S336-A340 WeakPolarHBondContact O-CB 3.48Å; S336-A340 PolarHBondContact O-N 3.26Å; Q337-A340 PolarHBondContact O-N 3.19Å; A340-L344 WeakPolarHBondContact O-CB 3.28Å; A340-L344 WeakPolarHBondContact O-CG 3.38Å; A340-L344 PolarHBondContact O-N 2.87Å; A340-L402 HydrophobicContact CB-CD2 4.28Å; A340-L405 HydrophobicContact CB-CB 4.24Å
341	E	84.4	Confident	82.8	Confident	85 Å²	85	67.9 Å²	67.9	40%	0.397	36%	0.357	S	S	.	.	H	α-helix	trans	-68.4	-41	175.5	-73.2	171.1	-171.3	0	0	112	Q337 E338 L344 T345	Q337-E341 WeakPolarHBondContact CG-OE1 3.13Å; Q337-E341 PolarHBondContact NE2-OE1 3.49Å; Q337-E341 WeakPolarHBondContact O-CG 3.26Å; Q337-E341 PolarHBondContact O-N 3.31Å; E338-E341 PolarHBondContact O-N 2.71Å; E341-L344 PolarHBondContact O-N 2.83Å; E341-T345 PolarHBondContact O-N 2.84Å; E341-T345 PolarHBondContact O-OG1 3.01Å
342	S	86.7	Confident	83.4	Confident	66 Å²	66	68.9 Å²	68.9	46%	0.462	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-48.7	173.2	-173.4	0	0	0	0	111.4	E338 L344 T345 D346	E338-S342 WeakPolarHBondContact O-CB 3.42Å; E338-S342 PolarHBondContact O-N 2.96Å; S342-L344 VanDerWaalsContact C-N 3.27Å; S342-L344 PolarHBondContact O-N 3.01Å; S342-T345 WeakPolarHBondContact O-CB 3.45Å; S342-T345 PolarHBondContact O-N 3.16Å; S342-T345 VanDerWaalsContact O-N 3.13Å; S342-D346 PolarHBondContact O-N 3.13Å
343	A	88.3	Confident	84.2	Confident	6 Å²	6	64.1 Å²	64.1	5%	0.05	33%	0.332	C	S	.	.	H	α-helix	trans	-64.2	-30.5	179.1	0	0	0	0	0	113.2	Q329 G339 I347 L402	Q329-A343 HydrophobicContact CG-CB 4.42Å; Q329-A343 PolarHBondContact NE2-O 3.45Å; Q329-A343 VanDerWaalsContact NE2-O 3.17Å; G339-A343 WeakPolarHBondContact O-CB 3.42Å; G339-A343 PolarHBondContact O-N 2.89Å; G339-A343 VanDerWaalsContact O-N 3.09Å; A343-I347 WeakPolarHBondContact O-CD1 3.33Å; A343-I347 VanDerWaalsContact O-CG1 3.3Å; A343-I347 WeakPolarHBondContact O-CG1 3.39Å; A343-I347 PolarHBondContact O-N 3.23Å; A343-L402 HydrophobicContact CB-CD1 3.83Å; A343-L402 HydrophobicContact CB-CD2 4.25Å
344	L	88.1	Confident	84.6	Confident	15 Å²	15	57 Å²	57	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-67.5	-45.5	171.2	-84.3	165.8	0	0	0	111.7	A340 E341 S342 D346 I347 E348 R399 L402 K403	A340-L344 WeakPolarHBondContact O-CB 3.28Å; A340-L344 WeakPolarHBondContact O-CG 3.38Å; A340-L344 PolarHBondContact O-N 2.87Å; E341-L344 PolarHBondContact O-N 2.83Å; S342-L344 VanDerWaalsContact C-N 3.27Å; S342-L344 PolarHBondContact O-N 3.01Å; L344-D346 VanDerWaalsContact C-N 3.32Å; L344-D346 PolarHBondContact O-N 3.5Å; L344-I347 PolarHBondContact O-N 3.14Å; L344-E348 WeakPolarHBondContact O-CG 3.21Å; L344-E348 PolarHBondContact O-N 2.85Å; L344-R399 HydrophobicContact CD2-CB 4.25Å; L344-R399 HydrophobicContact CD2-CG 4.19Å; L344-L402 HydrophobicContact CD1-CB 3.99Å; L344-L402 HydrophobicContact CD2-CB 3.8Å; L344-L402 HydrophobicContact CD2-CD1 4.34Å; L344-L402 HydrophobicContact CG-CB 3.6Å; L344-L402 HydrophobicContact CG-CD1 4.17Å; L344-K403 HydrophobicContact CD1-CG 3.97Å; L344-K403 HydrophobicContact CD2-CG 3.98Å
345	T	88.3	Confident	84.4	Confident	69 Å²	69	64.1 Å²	64.1	42%	0.423	34%	0.335	S	S	.	.	H	α-helix	trans	-60.2	-43.3	178.3	-54.2	0	0	0	0	110.9	E341 S342 I347 E348 N349	E341-T345 PolarHBondContact O-N 2.84Å; E341-T345 PolarHBondContact O-OG1 3.01Å; S342-T345 WeakPolarHBondContact O-CB 3.45Å; S342-T345 PolarHBondContact O-N 3.16Å; S342-T345 VanDerWaalsContact O-N 3.13Å; T345-I347 VanDerWaalsContact C-N 3.32Å; T345-I347 PolarHBondContact O-N 2.76Å; T345-E348 PolarHBondContact O-N 3.43Å; T345-N349 WeakPolarHBondContact O-CB 3.45Å; T345-N349 PolarHBondContact O-N 3.22Å; T345-N349 PolarHBondContact O-ND2 3.44Å
346	D	89.8	Confident	84.3	Confident	69 Å²	69	64.6 Å²	64.6	37%	0.369	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-39.8	176.4	-65.6	-26.8	0	0	0	112.3	L325 S342 L344 F350	L325-D346 HydrophobicContact CD1-CB 4.35Å; S342-D346 PolarHBondContact O-N 3.13Å; L344-D346 VanDerWaalsContact C-N 3.32Å; L344-D346 PolarHBondContact O-N 3.5Å; D346-F350 VanDerWaalsContact O-CB 3.31Å; D346-F350 WeakPolarHBondContact O-CB 3.45Å; D346-F350 PolarHBondContact O-N 2.87Å
347	I	89.9	Confident	83.8	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-67.7	-44.3	176.4	-70.6	168.4	0	0	0	111.3	L326 A343 L344 T345 F350 L351 F395 R398 R399 L402	L326-I347 HydrophobicContact CD2-CD1 4.5Å; A343-I347 WeakPolarHBondContact O-CD1 3.33Å; A343-I347 VanDerWaalsContact O-CG1 3.3Å; A343-I347 WeakPolarHBondContact O-CG1 3.39Å; A343-I347 PolarHBondContact O-N 3.23Å; L344-I347 PolarHBondContact O-N 3.14Å; T345-I347 VanDerWaalsContact C-N 3.32Å; T345-I347 PolarHBondContact O-N 2.76Å; I347-F350 PolarHBondContact O-N 3.26Å; I347-L351 HydrophobicContact CG2-CD1 3.88Å; I347-L351 HydrophobicContact CG2-CG 4.3Å; I347-L351 WeakPolarHBondContact O-CG 3.43Å; I347-L351 PolarHBondContact O-N 2.9Å; I347-F395 HydrophobicContact CB-CD1 4.25Å; I347-F395 HydrophobicContact CB-CE1 4.49Å; I347-F395 HydrophobicContact CD1-CD1 4.37Å; I347-F395 HydrophobicContact CG1-CD1 3.89Å; I347-F395 HydrophobicContact CG1-CE1 3.98Å; I347-F395 HydrophobicContact CG2-CB 4.46Å; I347-F395 HydrophobicContact CG2-CD1 3.52Å; I347-F395 HydrophobicContact CG2-CE1 4.17Å; I347-F395 HydrophobicContact CG2-CG 4.37Å; I347-R398 HydrophobicContact CD1-CB 4.23Å; I347-R398 HydrophobicContact CD1-CG 3.72Å; I347-R399 HydrophobicContact CB-CG 4.48Å; I347-R399 HydrophobicContact CG2-CG 3.61Å; I347-L402 HydrophobicContact CD1-CD1 3.75Å
348	E	88.3	Confident	83.4	Confident	73 Å²	73	65.2 Å²	65.2	34%	0.341	33%	0.333	S	S	.	.	H	α-helix	trans	-64.6	-44.7	-179.7	-72.3	178.9	165.6	0	0	110.9	L344 T345 F350 L351 E352 R399	L344-E348 WeakPolarHBondContact O-CG 3.21Å; L344-E348 PolarHBondContact O-N 2.85Å; T345-E348 PolarHBondContact O-N 3.43Å; E348-F350 VanDerWaalsContact C-N 3.3Å; E348-F350 PolarHBondContact O-N 3.48Å; E348-L351 PolarHBondContact O-N 3.19Å; E348-E352 WeakPolarHBondContact O-CG 3.39Å; E348-E352 PolarHBondContact O-N 2.93Å; E348-R399 IonicContact OE1-CZ 3.41Å; E348-R399 IonicContact OE1-NE 2.79Å; E348-R399 IonicContact OE1-NH2 3.59Å; E348-R399 PolarHBondContact OE1-NH2 2.96Å
349	N	88.8	Confident	82.9	Confident	90 Å²	90	57.6 Å²	57.6	48%	0.481	30%	0.298	S	S	.	.	H	α-helix	trans	-59.1	-40	172.7	-70.1	-22.9	0	0	0	112.3	T345 S353	T345-N349 WeakPolarHBondContact O-CB 3.45Å; T345-N349 PolarHBondContact O-N 3.22Å; T345-N349 PolarHBondContact O-ND2 3.44Å; N349-S353 PolarHBondContact O-N 2.94Å
350	F	89.8	Confident	82.4	Confident	32 Å²	32	60.6 Å²	60.6	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-69.6	-39.6	178.3	-172.8	-96.6	0	0	0	112.5	W318 G322 L325 D346 I347 E348 S353 F395	W318-F350 AromaticContact CD1-CZ 3.92Å; W318-F350 HydrophobicContact CD2-CE1 4.04Å; W318-F350 HydrophobicContact CD2-CZ 4.15Å; W318-F350 AromaticContact CE2-CE1 3.38Å; W318-F350 AromaticContact CE2-CZ 3.76Å; W318-F350 HydrophobicContact CG-CZ 4.26Å; W318-F350 AromaticContact CH2-CE1 3.99Å; W318-F350 HydrophobicContact CH2-CE1 3.99Å; W318-F350 AromaticContact CZ2-CD1 3.86Å; W318-F350 HydrophobicContact CZ2-CD1 3.86Å; W318-F350 AromaticContact CZ2-CE1 3.37Å; W318-F350 HydrophobicContact CZ2-CE1 3.37Å; W318-F350 HydrophobicContact CZ2-CZ 4.23Å; W318-F350 AromaticContact NE1-CE1 3.61Å; W318-F350 AromaticContact NE1-CZ 3.61Å; W318-F350 WeakPolarHBondContact O-CZ 3.18Å; G322-F350 VanDerWaalsContact CA-CE1 3.4Å; G322-F350 VanDerWaalsContact N-CZ 3.29Å; L325-F350 HydrophobicContact CD2-CB 3.53Å; L325-F350 HydrophobicContact CD2-CD1 4.3Å; L325-F350 HydrophobicContact CD2-CD2 4.03Å; L325-F350 HydrophobicContact CD2-CG 3.68Å; D346-F350 VanDerWaalsContact O-CB 3.31Å; D346-F350 WeakPolarHBondContact O-CB 3.45Å; D346-F350 PolarHBondContact O-N 2.87Å; I347-F350 PolarHBondContact O-N 3.26Å; E348-F350 VanDerWaalsContact C-N 3.3Å; E348-F350 PolarHBondContact O-N 3.48Å; F350-S353 VanDerWaalsContact O-CB 3.3Å; F350-S353 WeakPolarHBondContact O-CB 3.49Å; F350-S353 PolarHBondContact O-N 3.33Å; F350-S353 VanDerWaalsContact O-N 3.12Å; F350-S353 PolarHBondContact O-OG 3.13Å; F350-F395 HydrophobicContact CD1-CE1 4.08Å; F350-F395 AromaticContact CD1-CE2 3.74Å; F350-F395 HydrophobicContact CD1-CE2 3.74Å; F350-F395 AromaticContact CD1-CZ 3.35Å; F350-F395 HydrophobicContact CD1-CZ 3.35Å; F350-F395 AromaticContact CE1-CE2 3.68Å; F350-F395 HydrophobicContact CE1-CE2 3.68Å; F350-F395 AromaticContact CE1-CZ 3.61Å; F350-F395 HydrophobicContact CE1-CZ 3.61Å; F350-F395 HydrophobicContact CG-CZ 4.26Å
351	L	85.9	Confident	82.3	Confident	48 Å²	48	64.5 Å²	64.5	25%	0.251	33%	0.331	S	S	.	.	H	α-helix	trans	-66.2	-38.6	176.4	-71.4	172.3	0	0	0	111.8	W318 I347 E348 S353 A354 F395	W318-L351 HydrophobicContact CH2-CD2 4.37Å; W318-L351 HydrophobicContact CZ2-CD2 4.37Å; I347-L351 HydrophobicContact CG2-CD1 3.88Å; I347-L351 HydrophobicContact CG2-CG 4.3Å; I347-L351 WeakPolarHBondContact O-CG 3.43Å; I347-L351 PolarHBondContact O-N 2.9Å; E348-L351 PolarHBondContact O-N 3.19Å; L351-S353 PolarHBondContact O-N 3.27Å; L351-A354 VanDerWaalsContact O-CB 3.24Å; L351-A354 WeakPolarHBondContact O-CB 3.48Å; L351-A354 PolarHBondContact O-N 2.9Å; L351-F395 HydrophobicContact CD2-CB 4.3Å; L351-F395 HydrophobicContact CD2-CD2 4.32Å; L351-F395 HydrophobicContact CD2-CG 4.29Å
352	E	84.8	Confident	82.4	Confident	114 Å²	114	60.5 Å²	60.5	53%	0.533	31%	0.313	S	S	.	.	H	α-helix	trans	-61.1	-26.9	171.8	-73.9	-177.4	-173.1	0	0	112.9	E348 A354	E348-E352 WeakPolarHBondContact O-CG 3.39Å; E348-E352 PolarHBondContact O-N 2.93Å; E352-A354 PolarHBondContact O-N 3.41Å
353	S	84.2	Confident	82.3	Confident	25 Å²	25	63.1 Å²	63.1	18%	0.175	31%	0.312	C	S	.	.	H	α-helix	trans	-69.7	-18.2	175.8	84.9	0	0	0	0	113.5	W318 N349 F350 L351 K356 N357	W318-S353 PolarHBondContact NE1-OG 2.94Å; N349-S353 PolarHBondContact O-N 2.94Å; F350-S353 VanDerWaalsContact O-CB 3.3Å; F350-S353 WeakPolarHBondContact O-CB 3.49Å; F350-S353 PolarHBondContact O-N 3.33Å; F350-S353 VanDerWaalsContact O-N 3.12Å; F350-S353 PolarHBondContact O-OG 3.13Å; L351-S353 PolarHBondContact O-N 3.27Å; S353-K356 PolarHBondContact O-N 2.87Å; S353-N357 VanDerWaalsContact O-CB 3.31Å; S353-N357 WeakPolarHBondContact O-CB 3.24Å; S353-N357 PolarHBondContact O-N 3.34Å; S353-N357 PolarHBondContact O-ND2 3.46Å
354	A	79.3	Confident	82.1	Confident	9 Å²	9	67.8 Å²	67.8	7%	0.074	34%	0.336	C	S	.	.	H	α-helix	trans	-66.1	-39.2	-178.9	0	0	0	0	0	112.5	W318 L351 E352 H358 V359	W318-A354 HydrophobicContact CZ2-CB 3.83Å; L351-A354 VanDerWaalsContact O-CB 3.24Å; L351-A354 WeakPolarHBondContact O-CB 3.48Å; L351-A354 PolarHBondContact O-N 2.9Å; E352-A354 PolarHBondContact O-N 3.41Å; A354-H358 PolarHBondContact O-N 3.32Å; A354-V359 PolarHBondContact O-N 3.24Å
355	E	71.6	Confident	81.9	Confident	158 Å²	158	67.9 Å²	67.9	74%	0.738	34%	0.337	S	S	*	.	H	α-helix	trans	-69.1	-42.8	174.3	-69.9	-171.7	165.5	0	0	111.1	N357 H358	E355-N357 VanDerWaalsContact C-N 3.29Å; E355-N357 PolarHBondContact O-N 3.31Å; E355-H358 PolarHBondContact O-N 3.14Å
356	K	72.1	Confident	81.7	Confident	153 Å²	153	65.7 Å²	65.7	67%	0.665	32%	0.322	S	S	*	.	H	α-helix	trans	-63.8	-33.4	178.3	-67.7	176.1	-177.8	165	0	112.9	S353 H358	S353-K356 PolarHBondContact O-N 2.87Å; K356-H358 VanDerWaalsContact C-N 3.3Å; K356-H358 PolarHBondContact O-CE1 3.28Å; K356-H358 PolarHBondContact O-ND1 3.38Å
357	N	70.3	Confident	81.5	Confident	85 Å²	85	67 Å²	67	46%	0.455	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	6	179.6	-71.6	-41.3	0	0	0	113.6	S353 E355 V359	S353-N357 VanDerWaalsContact O-CB 3.31Å; S353-N357 WeakPolarHBondContact O-CB 3.24Å; S353-N357 PolarHBondContact O-N 3.34Å; S353-N357 PolarHBondContact O-ND2 3.46Å; E355-N357 VanDerWaalsContact C-N 3.29Å; E355-N357 PolarHBondContact O-N 3.31Å; N357-V359 HydrophobicContact CB-CG2 3.69Å; N357-V359 PolarHBondContact O-N 3.37Å
358	H	71.5	Confident	81.3	Confident	93 Å²	93	73.2 Å²	73.2	43%	0.431	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	29.3	177	-55.3	76	0	0	0	113.1	A354 E355 K356 T360 E361	A354-H358 PolarHBondContact O-N 3.32Å; E355-H358 PolarHBondContact O-N 3.14Å; K356-H358 VanDerWaalsContact C-N 3.3Å; K356-H358 PolarHBondContact O-CE1 3.28Å; K356-H358 PolarHBondContact O-ND1 3.38Å; H358-T360 PolarHBondContact O-N 3.1Å; H358-E361 HydrophobicContact CB-CB 4.47Å; H358-E361 HydrophobicContact CB-CG 3.9Å; H358-E361 WeakPolarHBondContact CB-OE2 3.45Å; H358-E361 VanDerWaalsContact CD2-CD 3.48Å; H358-E361 IonicContact CD2-OE1 3.47Å; H358-E361 PolarHBondContact CD2-OE1 3.36Å; H358-E361 IonicContact CD2-OE2 3.9Å; H358-E361 IonicContact CG-OE2 2.68Å; H358-E361 WeakPolarHBondContact O-CB 3.34Å; H358-E361 PolarHBondContact O-N 2.94Å; H358-E361 VanDerWaalsContact O-N 3.12Å
359	V	72.1	Confident	81.2	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.006	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-25	-174.6	-177.2	0	0	0	0	111.3	V315 W318 A354 N357 L388	V315-V359 HydrophobicContact CB-CG1 4.37Å; V315-V359 HydrophobicContact CG1-CG1 4.48Å; V315-V359 HydrophobicContact CG2-CG1 3.83Å; V315-V359 WeakPolarHBondContact CG2-O 3.33Å; W318-V359 HydrophobicContact CB-CG1 4.34Å; W318-V359 HydrophobicContact CB-CG2 3.87Å; W318-V359 HydrophobicContact CD2-CG1 4.32Å; W318-V359 HydrophobicContact CD2-CG2 4.45Å; W318-V359 HydrophobicContact CE3-CG1 4.42Å; W318-V359 HydrophobicContact CG-CG1 4.3Å; W318-V359 HydrophobicContact CG-CG2 3.78Å; A354-V359 PolarHBondContact O-N 3.24Å; N357-V359 HydrophobicContact CB-CG2 3.69Å; N357-V359 PolarHBondContact O-N 3.37Å; V359-L388 HydrophobicContact CG1-CD1 3.57Å; V359-L388 HydrophobicContact CG1-CD2 3.91Å; V359-L388 HydrophobicContact CG1-CG 4.4Å
360	T	72.8	Confident	80.8	Confident	81 Å²	81	72.2 Å²	72.2	50%	0.497	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-13.1	176.7	50.6	0	0	0	0	113.5	H358 L362	H358-T360 PolarHBondContact O-N 3.1Å; T360-L362 VanDerWaalsContact C-N 3.34Å; T360-L362 PolarHBondContact O-N 3.44Å
361	E	82.2	Confident	80.5	Confident	82 Å²	82	77.4 Å²	77.4	38%	0.383	38%	0.383	S	S	.	.	H	α-helix	trans	-73.6	-22.3	-177.8	-66.4	-165.9	149.5	0	0	113.5	H358 R363 N364 L365	H358-E361 HydrophobicContact CB-CB 4.47Å; H358-E361 HydrophobicContact CB-CG 3.9Å; H358-E361 WeakPolarHBondContact CB-OE2 3.45Å; H358-E361 VanDerWaalsContact CD2-CD 3.48Å; H358-E361 IonicContact CD2-OE1 3.47Å; H358-E361 PolarHBondContact CD2-OE1 3.36Å; H358-E361 IonicContact CD2-OE2 3.9Å; H358-E361 IonicContact CG-OE2 2.68Å; H358-E361 WeakPolarHBondContact O-CB 3.34Å; H358-E361 PolarHBondContact O-N 2.94Å; H358-E361 VanDerWaalsContact O-N 3.12Å; E361-R363 PolarHBondContact O-N 3.25Å; E361-R363 VanDerWaalsContact O-N 3.12Å; E361-N364 WeakPolarHBondContact O-CA 3.39Å; E361-N364 WeakPolarHBondContact O-CB 3.49Å; E361-N364 PolarHBondContact O-N 3.17Å; E361-L365 WeakPolarHBondContact O-CG 3.07Å; E361-L365 PolarHBondContact O-N 3.24Å
362	L	85.7	Confident	80.1	Confident	2 Å²	2	78.3 Å²	78.3	1%	0.01	39%	0.387	C	S	.	.	H	α-helix	trans	-56.1	-34.4	-179.9	-179.9	61.8	0	0	0	112.2	V308 I312 V315 T360 L365 H366 V381 A384 L385	V308-L362 HydrophobicContact CG1-CD1 4.37Å; I312-L362 HydrophobicContact CG1-CD1 4.05Å; I312-L362 HydrophobicContact CG1-CD2 4.07Å; V315-L362 HydrophobicContact CB-CD2 4.33Å; V315-L362 HydrophobicContact CG2-CB 4.03Å; V315-L362 HydrophobicContact CG2-CD2 3.75Å; T360-L362 VanDerWaalsContact C-N 3.34Å; T360-L362 PolarHBondContact O-N 3.44Å; L362-L365 PolarHBondContact O-N 3.12Å; L362-H366 WeakPolarHBondContact O-CB 3.3Å; L362-H366 PolarHBondContact O-N 2.99Å; L362-V381 HydrophobicContact CD1-CG1 4.28Å; L362-V381 HydrophobicContact CD1-CG2 4.41Å; L362-V381 HydrophobicContact CD2-CG1 4.32Å; L362-V381 HydrophobicContact CG-CG1 4.11Å; L362-A384 HydrophobicContact CD2-CB 4.08Å; L362-L385 HydrophobicContact CB-CD2 4.22Å; L362-L385 HydrophobicContact CD2-CD2 3.98Å; L362-L385 HydrophobicContact CD2-CG 4.12Å; L362-L385 HydrophobicContact CG-CD2 4.15Å; L362-L385 HydrophobicContact CG-CG 4.45Å
363	R	84	Confident	80	Confident	121 Å²	121	73.3 Å²	73.3	46%	0.457	36%	0.364	S	S	.	.	H	α-helix	trans	-67.4	-38.3	176.1	-173.7	171.3	-72.2	174.7	-3.4	111.9	E361 N367 L385 E389	E361-R363 PolarHBondContact O-N 3.25Å; E361-R363 VanDerWaalsContact O-N 3.12Å; R363-N367 PolarHBondContact O-N 3.44Å; R363-N367 VanDerWaalsContact O-N 3.14Å; R363-N367 PolarHBondContact O-ND2 3.46Å; R363-N367 PolarHBondContact O-OD1 3.27Å; R363-L385 HydrophobicContact CB-CD2 4.43Å; R363-E389 IonicContact NH2-OE1 2.63Å; R363-E389 PolarHBondContact NH2-OE1 3.07Å
364	N	85.3	Confident	80	Confident	104 Å²	104	74 Å²	74	56%	0.556	37%	0.368	S	S	*	.	H	α-helix	trans	-68.2	-43.6	175.8	-64.4	-19.4	0	0	0	110.8	E361 H366 N367 Q368	E361-N364 WeakPolarHBondContact O-CA 3.39Å; E361-N364 WeakPolarHBondContact O-CB 3.49Å; E361-N364 PolarHBondContact O-N 3.17Å; N364-H366 VanDerWaalsContact C-N 3.33Å; N364-H366 PolarHBondContact O-N 2.94Å; N364-N367 PolarHBondContact O-N 3.32Å; N364-Q368 VanDerWaalsContact O-CB 3.3Å; N364-Q368 WeakPolarHBondContact O-CB 3.44Å; N364-Q368 PolarHBondContact O-N 3.03Å
365	L	84.6	Confident	80.2	Confident	17 Å²	17	79.9 Å²	79.9	9%	0.089	40%	0.395	C	S	.	.	H	α-helix	trans	-62.4	-40.1	176.9	-64.2	179.6	0	0	0	112.2	H307 E361 L362 Q368 Y369	H307-L365 WeakPolarHBondContact CD2-CD1 3.27Å; H307-L365 WeakPolarHBondContact CD2-CD2 3.31Å; H307-L365 WeakPolarHBondContact NE2-CD2 3.32Å; E361-L365 WeakPolarHBondContact O-CG 3.07Å; E361-L365 PolarHBondContact O-N 3.24Å; L362-L365 PolarHBondContact O-N 3.12Å; L365-Q368 PolarHBondContact O-N 2.97Å; L365-Y369 HydrophobicContact CD2-CE2 4.14Å; L365-Y369 WeakPolarHBondContact O-CB 3.5Å; L365-Y369 WeakPolarHBondContact O-CD2 3.32Å; L365-Y369 PolarHBondContact O-N 3Å; L365-Y369 VanDerWaalsContact O-N 3.08Å
366	H	84	Confident	80.8	Confident	22 Å²	22	78.6 Å²	78.6	10%	0.102	39%	0.393	C	S	.	.	H	α-helix	trans	-60.3	-51.1	175	-177.1	50.1	0	0	0	111.8	L362 N364 Q368 Y369 E370 V381	L362-H366 WeakPolarHBondContact O-CB 3.3Å; L362-H366 PolarHBondContact O-N 2.99Å; N364-H366 VanDerWaalsContact C-N 3.33Å; N364-H366 PolarHBondContact O-N 2.94Å; H366-Q368 VanDerWaalsContact C-N 3.31Å; H366-Q368 PolarHBondContact O-N 3.36Å; H366-Y369 PolarHBondContact O-N 3.26Å; H366-E370 WeakPolarHBondContact O-CA 3.49Å; H366-E370 WeakPolarHBondContact O-CB 3.35Å; H366-E370 PolarHBondContact O-N 3.4Å; H366-V381 HydrophobicContact CB-CG1 3.9Å
367	N	84.1	Confident	81.4	Confident	97 Å²	97	71.4 Å²	71.4	52%	0.519	36%	0.362	S	S	.	.	H	α-helix	trans	-64.8	-37.1	-179.5	-65.3	-13.3	0	0	0	111.9	R363 N364	R363-N367 PolarHBondContact O-N 3.44Å; R363-N367 VanDerWaalsContact O-N 3.14Å; R363-N367 PolarHBondContact O-ND2 3.46Å; R363-N367 PolarHBondContact O-OD1 3.27Å; N364-N367 PolarHBondContact O-N 3.32Å
368	Q	86.1	Confident	82.3	Confident	131 Å²	131	69.1 Å²	69.1	61%	0.612	35%	0.348	S	S	*	.	H	α-helix	trans	-69.2	-34.2	-179.8	-169.9	179.6	11.8	0	0	112.5	N364 L365 H366	N364-Q368 VanDerWaalsContact O-CB 3.3Å; N364-Q368 WeakPolarHBondContact O-CB 3.44Å; N364-Q368 PolarHBondContact O-N 3.03Å; L365-Q368 PolarHBondContact O-N 2.97Å; H366-Q368 VanDerWaalsContact C-N 3.31Å; H366-Q368 PolarHBondContact O-N 3.36Å
369	Y	86.6	Confident	83	Confident	42 Å²	42	66 Å²	66	17%	0.165	34%	0.341	C	S	.	.	H	α-helix	trans	-109.8	6.9	-173.7	-56.2	-34.8	0	0	0	114.2	K304 V308 L365 H366 V371 I372 L373	K304-Y369 HydrophobicContact CB-CD1 4.44Å; K304-Y369 HydrophobicContact CB-CD2 4.11Å; K304-Y369 HydrophobicContact CB-CE2 4.39Å; K304-Y369 HydrophobicContact CB-CG 4.14Å; K304-Y369 HydrophobicContact CD-CD1 3.87Å; K304-Y369 HydrophobicContact CD-CE1 4.13Å; K304-Y369 HydrophobicContact CD-CG 4.33Å; K304-Y369 HydrophobicContact CG-CD1 4Å; K304-Y369 HydrophobicContact CG-CD2 4.36Å; K304-Y369 HydrophobicContact CG-CE1 3.98Å; K304-Y369 HydrophobicContact CG-CE2 4.34Å; K304-Y369 HydrophobicContact CG-CG 4.21Å; V308-Y369 HydrophobicContact CG2-CD2 3.94Å; L365-Y369 HydrophobicContact CD2-CE2 4.14Å; L365-Y369 WeakPolarHBondContact O-CB 3.5Å; L365-Y369 WeakPolarHBondContact O-CD2 3.32Å; L365-Y369 PolarHBondContact O-N 3Å; L365-Y369 VanDerWaalsContact O-N 3.08Å; H366-Y369 PolarHBondContact O-N 3.26Å; Y369-V371 PolarHBondContact O-N 3.05Å; Y369-V371 VanDerWaalsContact O-N 3.08Å; Y369-I372 PolarHBondContact O-N 3.34Å; Y369-L373 WeakPolarHBondContact O-CG 3.32Å; Y369-L373 PolarHBondContact O-N 2.9Å
370	E	80.9	Confident	83.8	Confident	100 Å²	100	68.1 Å²	68.1	47%	0.467	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-40.7	-173.5	-169.2	-177.4	175.6	0	0	113.8	H366 I372 K378	H366-E370 WeakPolarHBondContact O-CA 3.49Å; H366-E370 WeakPolarHBondContact O-CB 3.35Å; H366-E370 PolarHBondContact O-N 3.4Å; E370-I372 VanDerWaalsContact C-N 3.26Å; E370-I372 PolarHBondContact O-N 3.48Å; E370-K378 WeakPolarHBondContact O-CE 3.41Å; E370-K378 PolarHBondContact O-NZ 3.22Å; E370-K378 VanDerWaalsContact O-NZ 3.16Å
371	V	81.8	Confident	84.7	Confident	141 Å²	141	64.2 Å²	64.2	86%	0.855	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-22.4	-176.6	-177.6	0	0	0	0	112.7	Y369	Y369-V371 PolarHBondContact O-N 3.05Å; Y369-V371 VanDerWaalsContact O-N 3.08Å
372	I	79	Confident	85.1	Confident	66 Å²	66	65.2 Å²	65.2	34%	0.338	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-24.4	-167.1	-57.8	177.8	0	0	0	111.7	V301 K304 Y369 E370	V301-I372 HydrophobicContact CB-CG2 4.28Å; V301-I372 HydrophobicContact CG1-CG2 4.49Å; V301-I372 HydrophobicContact CG2-CG2 3.65Å; K304-I372 HydrophobicContact CD-CD1 3.92Å; K304-I372 HydrophobicContact CD-CG2 4.19Å; Y369-I372 PolarHBondContact O-N 3.34Å; E370-I372 VanDerWaalsContact C-N 3.26Å; E370-I372 PolarHBondContact O-N 3.48Å
373	L	81.8	Confident	85.3	Confident	10 Å²	10	72.7 Å²	72.7	5%	0.052	37%	0.372	C	S	.	.	S	Bend	trans	-75	147.5	-179	-63.8	169.1	0	0	0	112.1	V308 Y369 V377 K378	V308-L373 HydrophobicContact CB-CD2 4.5Å; V308-L373 HydrophobicContact CG1-CD1 4.47Å; V308-L373 HydrophobicContact CG2-CD1 3.92Å; V308-L373 HydrophobicContact CG2-CD2 4.05Å; Y369-L373 WeakPolarHBondContact O-CG 3.32Å; Y369-L373 PolarHBondContact O-N 2.9Å; L373-V377 HydrophobicContact CD2-CG1 4.04Å; L373-K378 HydrophobicContact CB-CG 4.16Å; L373-K378 VanDerWaalsContact O-CE 3.3Å; L373-K378 WeakPolarHBondContact O-CE 3.27Å
374	S	83.8	Confident	85.7	Confident	38 Å²	38	67.1 Å²	67.1	27%	0.266	35%	0.351	S	S	.	.			trans	-69.6	155.8	170.4	75.3	0	0	0	0	111.6	A228 D376 V377 K378	A228-S374 WeakPolarHBondContact CB-OG 3.38Å; S374-D376 PolarHBondContact O-N 3.13Å; S374-V377 PolarHBondContact O-N 3.23Å; S374-V377 VanDerWaalsContact O-N 3.16Å; S374-V377 WeakPolarHBondContact OG-CG2 3.37Å; S374-V377 PolarHBondContact OG-N 2.94Å; S374-K378 WeakPolarHBondContact O-CG 3.31Å; S374-K378 PolarHBondContact O-N 2.94Å
375	E	84.4	Confident	85.9	Confident	134 Å²	134	62.9 Å²	62.9	63%	0.626	33%	0.329	S	S	*	.	H	α-helix	trans	-59.4	-33.3	177.6	-68.7	-56.3	129.5	0	0	112.8	K378 G379	E375-K378 PolarHBondContact O-N 3.34Å; E375-K378 WeakPolarHBondContact OE1-CD 3.48Å; E375-K378 IonicContact OE1-NZ 2.77Å; E375-K378 PolarHBondContact OE1-NZ 3.29Å; E375-G379 PolarHBondContact O-N 3.29Å
376	D	83.3	Confident	86.3	Confident	131 Å²	131	68.2 Å²	68.2	70%	0.701	35%	0.351	S	S	*	.	H	α-helix	trans	-65.4	-41.7	176.6	-63.5	-41.8	0	0	0	112.3	S374 G379 S380	S374-D376 PolarHBondContact O-N 3.13Å; D376-G379 PolarHBondContact O-N 3.25Å; D376-S380 PolarHBondContact O-N 3.47Å; D376-S380 PolarHBondContact O-OG 3.02Å
377	V	86.3	Confident	86.7	Confident	2 Å²	2	71 Å²	71	1%	0.012	36%	0.361	C	S	.	.	H	α-helix	trans	-68.7	-42.4	177.1	178.6	0	0	0	0	109.9	A228 V308 L373 S374 G379 S380 V381	A228-V377 HydrophobicContact CB-CG2 4.16Å; V308-V377 HydrophobicContact CG1-CG1 3.9Å; L373-V377 HydrophobicContact CD2-CG1 4.04Å; S374-V377 PolarHBondContact O-N 3.23Å; S374-V377 VanDerWaalsContact O-N 3.16Å; S374-V377 WeakPolarHBondContact OG-CG2 3.37Å; S374-V377 PolarHBondContact OG-N 2.94Å; V377-G379 PolarHBondContact O-N 3.48Å; V377-S380 WeakPolarHBondContact O-CB 3.19Å; V377-S380 PolarHBondContact O-N 2.92Å; V377-S380 VanDerWaalsContact O-N 3.11Å; V377-V381 WeakPolarHBondContact O-CG2 3.31Å; V377-V381 PolarHBondContact O-N 3.26Å
378	K	87.4	Confident	87	Confident	36 Å²	36	66.9 Å²	66.9	16%	0.157	34%	0.339	C	S	.	.	H	α-helix	trans	-57.5	-46.7	173.9	-67	177.6	-170.6	174.3	0	111.9	E370 L373 S374 E375 S380 V381 L382	E370-K378 WeakPolarHBondContact O-CE 3.41Å; E370-K378 PolarHBondContact O-NZ 3.22Å; E370-K378 VanDerWaalsContact O-NZ 3.16Å; L373-K378 HydrophobicContact CB-CG 4.16Å; L373-K378 VanDerWaalsContact O-CE 3.3Å; L373-K378 WeakPolarHBondContact O-CE 3.27Å; S374-K378 WeakPolarHBondContact O-CG 3.31Å; S374-K378 PolarHBondContact O-N 2.94Å; E375-K378 PolarHBondContact O-N 3.34Å; E375-K378 WeakPolarHBondContact OE1-CD 3.48Å; E375-K378 IonicContact OE1-NZ 2.77Å; E375-K378 PolarHBondContact OE1-NZ 3.29Å; K378-S380 VanDerWaalsContact C-N 3.26Å; K378-S380 PolarHBondContact O-N 2.85Å; K378-V381 WeakPolarHBondContact O-CB 3.34Å; K378-V381 PolarHBondContact O-N 3.35Å; K378-L382 WeakPolarHBondContact O-CG 3.48Å; K378-L382 PolarHBondContact O-N 3.27Å
379	G	87.9	Confident	87.2	Confident	28 Å²	28	65.1 Å²	65.1	29%	0.289	33%	0.33	S	S	.	.	H	α-helix	trans	-59.6	-37.4	176.1	0	0	0	0	0	112.7	E375 D376 V377 K383	E375-G379 PolarHBondContact O-N 3.29Å; D376-G379 PolarHBondContact O-N 3.25Å; V377-G379 PolarHBondContact O-N 3.48Å; G379-K383 WeakPolarHBondContact O-CG 3.32Å; G379-K383 PolarHBondContact O-N 3.29Å; G379-K383 VanDerWaalsContact O-N 3.14Å
380	S	88.4	Confident	87.5	Confident	45 Å²	45	66.8 Å²	66.8	32%	0.315	34%	0.342	S	S	.	.	H	α-helix	trans	-68.2	-39.6	176.4	-59.3	0	0	0	0	112.5	D376 V377 K378 K383 A384	D376-S380 PolarHBondContact O-N 3.47Å; D376-S380 PolarHBondContact O-OG 3.02Å; V377-S380 WeakPolarHBondContact O-CB 3.19Å; V377-S380 PolarHBondContact O-N 2.92Å; V377-S380 VanDerWaalsContact O-N 3.11Å; K378-S380 VanDerWaalsContact C-N 3.26Å; K378-S380 PolarHBondContact O-N 2.85Å; S380-K383 PolarHBondContact O-N 2.94Å; S380-A384 PolarHBondContact O-N 3.09Å; S380-A384 VanDerWaalsContact O-N 3.11Å
381	V	90.5	Very high	88.1	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-49.6	173.2	173.6	0	0	0	0	111.3	V308 I312 L362 H366 V377 K378 K383 A384 L385	V308-V381 HydrophobicContact CG1-CG2 3.26Å; I312-V381 HydrophobicContact CD1-CG2 3.79Å; I312-V381 HydrophobicContact CG1-CG2 4.19Å; L362-V381 HydrophobicContact CD1-CG1 4.28Å; L362-V381 HydrophobicContact CD1-CG2 4.41Å; L362-V381 HydrophobicContact CD2-CG1 4.32Å; L362-V381 HydrophobicContact CG-CG1 4.11Å; H366-V381 HydrophobicContact CB-CG1 3.9Å; V377-V381 WeakPolarHBondContact O-CG2 3.31Å; V377-V381 PolarHBondContact O-N 3.26Å; K378-V381 WeakPolarHBondContact O-CB 3.34Å; K378-V381 PolarHBondContact O-N 3.35Å; V381-K383 VanDerWaalsContact C-N 3.29Å; V381-K383 PolarHBondContact O-N 3.45Å; V381-A384 PolarHBondContact O-N 3.18Å; V381-A384 VanDerWaalsContact O-N 3.11Å; V381-L385 HydrophobicContact CG1-CD1 3.85Å; V381-L385 HydrophobicContact CG1-CG 4.24Å; V381-L385 WeakPolarHBondContact O-CG 3.5Å; V381-L385 PolarHBondContact O-N 3.28Å
382	L	90.6	Very high	88.4	Confident	102 Å²	102	59.2 Å²	59.2	53%	0.534	30%	0.298	S	S	.	.	H	α-helix	trans	-61.4	-38.3	-178.7	-68.2	175	0	0	0	111.9	K378 K386	K378-L382 WeakPolarHBondContact O-CG 3.48Å; K378-L382 PolarHBondContact O-N 3.27Å; L382-K386 WeakPolarHBondContact O-CB 3.43Å; L382-K386 PolarHBondContact O-N 2.81Å
383	K	91.6	Very high	89	Confident	160 Å²	160	60.9 Å²	60.9	70%	0.696	30%	0.304	S	S	*	.	H	α-helix	trans	-62.3	-43.2	173.7	-73.5	171.7	-175.4	173	0	112.1	G379 S380 V381 K386 R387	G379-K383 WeakPolarHBondContact O-CG 3.32Å; G379-K383 PolarHBondContact O-N 3.29Å; G379-K383 VanDerWaalsContact O-N 3.14Å; S380-K383 PolarHBondContact O-N 2.94Å; V381-K383 VanDerWaalsContact C-N 3.29Å; V381-K383 PolarHBondContact O-N 3.45Å; K383-K386 PolarHBondContact O-N 3.49Å; K383-R387 PolarHBondContact O-N 3.33Å
384	A	91.4	Very high	89.5	Confident	3 Å²	3	65.2 Å²	65.2	3%	0.025	33%	0.325	C	S	.	.	H	α-helix	trans	-67.1	-43.5	178.6	0	0	0	0	0	112.1	I312 V315 L362 S380 V381 K386 R387 L388	I312-A384 HydrophobicContact CB-CB 4.48Å; I312-A384 HydrophobicContact CG1-CB 4.28Å; I312-A384 HydrophobicContact CG2-CB 3.99Å; V315-A384 HydrophobicContact CG1-CB 4.37Å; L362-A384 HydrophobicContact CD2-CB 4.08Å; S380-A384 PolarHBondContact O-N 3.09Å; S380-A384 VanDerWaalsContact O-N 3.11Å; V381-A384 PolarHBondContact O-N 3.18Å; V381-A384 VanDerWaalsContact O-N 3.11Å; A384-K386 VanDerWaalsContact C-N 3.35Å; A384-K386 PolarHBondContact O-N 2.92Å; A384-R387 WeakPolarHBondContact O-CB 3.43Å; A384-R387 PolarHBondContact O-N 3.04Å; A384-L388 PolarHBondContact O-N 3.05Å
385	L	90.5	Very high	89.9	Confident	16 Å²	16	63.4 Å²	63.4	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-63.1	-40.1	175.7	-70.8	176.1	0	0	0	112	L362 R363 V381 L388 E389	L362-L385 HydrophobicContact CB-CD2 4.22Å; L362-L385 HydrophobicContact CD2-CD2 3.98Å; L362-L385 HydrophobicContact CD2-CG 4.12Å; L362-L385 HydrophobicContact CG-CD2 4.15Å; L362-L385 HydrophobicContact CG-CG 4.45Å; R363-L385 HydrophobicContact CB-CD2 4.43Å; V381-L385 HydrophobicContact CG1-CD1 3.85Å; V381-L385 HydrophobicContact CG1-CG 4.24Å; V381-L385 WeakPolarHBondContact O-CG 3.5Å; V381-L385 PolarHBondContact O-N 3.28Å; L385-L388 WeakPolarHBondContact O-CB 3.38Å; L385-L388 PolarHBondContact O-N 3.44Å; L385-E389 WeakPolarHBondContact O-CG 3.23Å; L385-E389 PolarHBondContact O-N 3.23Å; L385-E389 VanDerWaalsContact O-N 3.09Å
386	K	92.3	Very high	90.1	Very high	129 Å²	129	61.3 Å²	61.3	56%	0.561	30%	0.303	S	S	*	.	H	α-helix	trans	-62.8	-44.1	174.1	-176.8	174.9	-179.8	177	0	111.9	L382 K383 A384 L388 E389 D390	L382-K386 WeakPolarHBondContact O-CB 3.43Å; L382-K386 PolarHBondContact O-N 2.81Å; K383-K386 PolarHBondContact O-N 3.49Å; A384-K386 VanDerWaalsContact C-N 3.35Å; A384-K386 PolarHBondContact O-N 2.92Å; K386-L388 PolarHBondContact O-N 3.34Å; K386-E389 PolarHBondContact O-N 3.49Å; K386-D390 VanDerWaalsContact O-CG 3.32Å; K386-D390 PolarHBondContact O-N 2.87Å
387	R	92.4	Very high	90.5	Very high	80 Å²	80	60.9 Å²	60.9	30%	0.302	30%	0.295	S	S	.	.	H	α-helix	trans	-58.8	-39	176.1	-172.5	-178.8	-176	-177.1	0.9	111.6	N316 C319 E320 K383 A384 D390 V391	N316-R387 WeakPolarHBondContact OD1-CD 3.24Å; N316-R387 PolarHBondContact OD1-NH1 2.75Å; C319-R387 HydrophobicContact CB-CG 4.21Å; E320-R387 IonicContact OE1-CZ 2.81Å; E320-R387 IonicContact OE1-NH1 2.7Å; E320-R387 IonicContact OE1-NH2 2.83Å; E320-R387 PolarHBondContact OE1-NH2 3.16Å; E320-R387 VanDerWaalsContact OE1-NH2 3.17Å; K383-R387 PolarHBondContact O-N 3.33Å; A384-R387 WeakPolarHBondContact O-CB 3.43Å; A384-R387 PolarHBondContact O-N 3.04Å; R387-D390 PolarHBondContact O-N 3.2Å; R387-V391 WeakPolarHBondContact O-CG2 3.42Å; R387-V391 PolarHBondContact O-N 2.88Å; R387-V391 VanDerWaalsContact O-N 3.08Å
388	L	90.9	Very high	90.6	Very high	11 Å²	11	63.4 Å²	63.4	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-61.1	-48.3	175.2	179.6	63.4	0	0	0	111.8	V315 W318 V359 A384 L385 K386 V391 Q392	V315-L388 HydrophobicContact CG1-CB 3.89Å; V315-L388 HydrophobicContact CG1-CD1 4.47Å; V315-L388 HydrophobicContact CG1-CD2 4.4Å; V315-L388 HydrophobicContact CG1-CG 4.49Å; W318-L388 HydrophobicContact CD2-CD1 4.48Å; W318-L388 HydrophobicContact CE3-CD1 3.51Å; W318-L388 HydrophobicContact CH2-CD1 4.34Å; W318-L388 HydrophobicContact CZ3-CD1 3.44Å; W318-L388 VanDerWaalsContact CZ3-CD1 3.44Å; V359-L388 HydrophobicContact CG1-CD1 3.57Å; V359-L388 HydrophobicContact CG1-CD2 3.91Å; V359-L388 HydrophobicContact CG1-CG 4.4Å; A384-L388 PolarHBondContact O-N 3.05Å; L385-L388 WeakPolarHBondContact O-CB 3.38Å; L385-L388 PolarHBondContact O-N 3.44Å; K386-L388 PolarHBondContact O-N 3.34Å; L388-V391 PolarHBondContact O-N 3.26Å; L388-Q392 WeakPolarHBondContact O-CG 3.5Å; L388-Q392 PolarHBondContact O-N 2.9Å
389	E	90.6	Very high	90.8	Very high	94 Å²	94	64.1 Å²	64.1	44%	0.439	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-44	177.8	-70.5	173.4	179.2	0	0	111.7	R363 L385 K386 V391 Q392 E393	R363-E389 IonicContact NH2-OE1 2.63Å; R363-E389 PolarHBondContact NH2-OE1 3.07Å; L385-E389 WeakPolarHBondContact O-CG 3.23Å; L385-E389 PolarHBondContact O-N 3.23Å; L385-E389 VanDerWaalsContact O-N 3.09Å; K386-E389 PolarHBondContact O-N 3.49Å; E389-V391 PolarHBondContact O-N 3.31Å; E389-Q392 PolarHBondContact O-N 3.44Å; E389-E393 PolarHBondContact O-N 3.22Å
390	D	92.8	Very high	90.8	Very high	76 Å²	76	66.2 Å²	66.2	41%	0.406	31%	0.313	S	S	.	.	H	α-helix	trans	-60.6	-44.2	177.9	-68.5	-24.7	0	0	0	111.7	K386 R387 E393 M394	K386-D390 VanDerWaalsContact O-CG 3.32Å; K386-D390 PolarHBondContact O-N 2.87Å; R387-D390 PolarHBondContact O-N 3.2Å; D390-E393 PolarHBondContact O-N 3.35Å; D390-M394 WeakPolarHBondContact O-CG 3.29Å; D390-M394 PolarHBondContact O-N 2.9Å
391	V	91.8	Very high	90.8	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.024	32%	0.315	C	S	.	.	H	α-helix	trans	-68	-40	178.3	172	0	0	0	0	111.5	W318 C319 I323 R387 L388 E389 E393 M394 F395	W318-V391 HydrophobicContact CH2-CG1 4.47Å; W318-V391 HydrophobicContact CZ3-CB 4.47Å; W318-V391 HydrophobicContact CZ3-CG1 3.91Å; C319-V391 HydrophobicContact CB-CG2 4.06Å; I323-V391 HydrophobicContact CD1-CG2 3.93Å; I323-V391 HydrophobicContact CG1-CG2 3.89Å; R387-V391 WeakPolarHBondContact O-CG2 3.42Å; R387-V391 PolarHBondContact O-N 2.88Å; R387-V391 VanDerWaalsContact O-N 3.08Å; L388-V391 PolarHBondContact O-N 3.26Å; E389-V391 PolarHBondContact O-N 3.31Å; V391-E393 VanDerWaalsContact C-N 3.3Å; V391-E393 PolarHBondContact O-N 2.91Å; V391-M394 WeakPolarHBondContact O-CB 3.39Å; V391-M394 PolarHBondContact O-N 3.12Å; V391-F395 HydrophobicContact CG1-CD2 3.8Å; V391-F395 HydrophobicContact CG1-CE2 3.62Å; V391-F395 VanDerWaalsContact O-CD2 3.26Å; V391-F395 WeakPolarHBondContact O-CD2 3.4Å; V391-F395 PolarHBondContact O-N 2.86Å
392	Q	89.2	Confident	90.6	Very high	78 Å²	78	66.5 Å²	66.5	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-60.5	-40.6	173.9	-74.4	176.5	-14	0	0	111.6	W318 L388 E389 M394 F395 E396	W318-Q392 HydrophobicContact CH2-CG 4.23Å; W318-Q392 HydrophobicContact CZ3-CG 4.46Å; L388-Q392 WeakPolarHBondContact O-CG 3.5Å; L388-Q392 PolarHBondContact O-N 2.9Å; E389-Q392 PolarHBondContact O-N 3.44Å; Q392-M394 PolarHBondContact O-N 3.46Å; Q392-F395 PolarHBondContact O-N 3.37Å; Q392-E396 PolarHBondContact O-N 2.88Å
393	E	91.6	Very high	90.4	Very high	102 Å²	102	66.2 Å²	66.2	48%	0.477	31%	0.309	S	S	.	.	H	α-helix	trans	-63.8	-39.4	175.2	-159.7	-155.8	-179.7	0	0	111.8	E389 D390 V391 E396 K397	E389-E393 PolarHBondContact O-N 3.22Å; D390-E393 PolarHBondContact O-N 3.35Å; V391-E393 VanDerWaalsContact C-N 3.3Å; V391-E393 PolarHBondContact O-N 2.91Å; E393-E396 PolarHBondContact O-N 3.35Å; E393-K397 VanDerWaalsContact CD-CE 3.47Å; E393-K397 HydrophobicContact CG-CD 4.47Å; E393-K397 WeakPolarHBondContact O-CB 3.43Å; E393-K397 WeakPolarHBondContact O-CG 3.46Å; E393-K397 PolarHBondContact O-N 3.14Å; E393-K397 WeakPolarHBondContact OE1-CE 3.39Å; E393-K397 IonicContact OE1-NZ 3.57Å; E393-K397 PolarHBondContact OE1-NZ 2.77Å; E393-K397 IonicContact OE2-NZ 3.46Å; E393-K397 PolarHBondContact OE2-NZ 3.49Å
394	M	92.3	Very high	90	Very high	101 Å²	101	67.6 Å²	67.6	50%	0.498	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-44	173.9	-69.5	-175.7	175.6	0	0	112	L326 D390 V391 Q392 R398	L326-M394 HydrophobicContact CD1-CB 3.76Å; D390-M394 WeakPolarHBondContact O-CG 3.29Å; D390-M394 PolarHBondContact O-N 2.9Å; V391-M394 WeakPolarHBondContact O-CB 3.39Å; V391-M394 PolarHBondContact O-N 3.12Å; Q392-M394 PolarHBondContact O-N 3.46Å; M394-R398 WeakPolarHBondContact O-CB 3.47Å; M394-R398 PolarHBondContact O-N 3.26Å
395	F	91.2	Very high	89.5	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-44.1	175.2	-84.8	-67.7	0	0	0	112	W318 G322 L325 L326 I347 F350 L351 V391 Q392 R398 R399	W318-F395 HydrophobicContact CH2-CD2 4.46Å; W318-F395 HydrophobicContact CH2-CE2 4.32Å; G322-F395 WeakPolarHBondContact O-CZ 3.47Å; L325-F395 HydrophobicContact CD2-CE1 4.05Å; L325-F395 HydrophobicContact CD2-CZ 4.27Å; L326-F395 HydrophobicContact CD1-CD1 4.33Å; L326-F395 HydrophobicContact CD1-CD2 4.37Å; L326-F395 HydrophobicContact CD1-CE1 4.28Å; L326-F395 HydrophobicContact CD1-CE2 4.3Å; L326-F395 HydrophobicContact CD1-CG 4.38Å; L326-F395 HydrophobicContact CD1-CZ 4.26Å; L326-F395 HydrophobicContact CD2-CD1 3.72Å; L326-F395 HydrophobicContact CD2-CE1 3.74Å; L326-F395 HydrophobicContact CD2-CG 4.45Å; L326-F395 HydrophobicContact CD2-CZ 4.47Å; L326-F395 HydrophobicContact CG-CD1 4.11Å; L326-F395 HydrophobicContact CG-CE1 3.77Å; L326-F395 HydrophobicContact CG-CZ 4.01Å; I347-F395 HydrophobicContact CB-CD1 4.25Å; I347-F395 HydrophobicContact CB-CE1 4.49Å; I347-F395 HydrophobicContact CD1-CD1 4.37Å; I347-F395 HydrophobicContact CG1-CD1 3.89Å; I347-F395 HydrophobicContact CG1-CE1 3.98Å; I347-F395 HydrophobicContact CG2-CB 4.46Å; I347-F395 HydrophobicContact CG2-CD1 3.52Å; I347-F395 HydrophobicContact CG2-CE1 4.17Å; I347-F395 HydrophobicContact CG2-CG 4.37Å; F350-F395 HydrophobicContact CD1-CE1 4.08Å; F350-F395 AromaticContact CD1-CE2 3.74Å; F350-F395 HydrophobicContact CD1-CE2 3.74Å; F350-F395 AromaticContact CD1-CZ 3.35Å; F350-F395 HydrophobicContact CD1-CZ 3.35Å; F350-F395 AromaticContact CE1-CE2 3.68Å; F350-F395 HydrophobicContact CE1-CE2 3.68Å; F350-F395 AromaticContact CE1-CZ 3.61Å; F350-F395 HydrophobicContact CE1-CZ 3.61Å; F350-F395 HydrophobicContact CG-CZ 4.26Å; L351-F395 HydrophobicContact CD2-CB 4.3Å; L351-F395 HydrophobicContact CD2-CD2 4.32Å; L351-F395 HydrophobicContact CD2-CG 4.29Å; V391-F395 HydrophobicContact CG1-CD2 3.8Å; V391-F395 HydrophobicContact CG1-CE2 3.62Å; V391-F395 VanDerWaalsContact O-CD2 3.26Å; V391-F395 WeakPolarHBondContact O-CD2 3.4Å; V391-F395 PolarHBondContact O-N 2.86Å; Q392-F395 PolarHBondContact O-N 3.37Å; F395-R398 PolarHBondContact O-N 3.44Å; F395-R399 WeakPolarHBondContact O-CG 3.47Å; F395-R399 PolarHBondContact O-N 3.47Å
396	E	90.1	Very high	88.6	Confident	89 Å²	89	70.5 Å²	70.5	42%	0.416	33%	0.327	S	S	.	.	H	α-helix	trans	-66.2	-43.7	-179.5	-168.1	55.4	-150.1	0	0	111.7	Q392 E393 R398 R399 V400	Q392-E396 PolarHBondContact O-N 2.88Å; E393-E396 PolarHBondContact O-N 3.35Å; E396-R398 VanDerWaalsContact C-N 3.27Å; E396-R398 PolarHBondContact O-N 3.37Å; E396-R399 PolarHBondContact O-N 3Å; E396-R399 IonicContact OE2-NH1 3.55Å; E396-R399 PolarHBondContact OE2-NH1 2.94Å; E396-V400 WeakPolarHBondContact O-CG2 3.45Å; E396-V400 PolarHBondContact O-N 3.23Å
397	K	90.3	Very high	87.8	Confident	122 Å²	122	68 Å²	68	53%	0.53	33%	0.33	S	S	.	.	H	α-helix	trans	-56.1	-42.6	172.3	-74.2	169.8	-179.3	162.5	0	111.4	E393 S401	E393-K397 VanDerWaalsContact CD-CE 3.47Å; E393-K397 HydrophobicContact CG-CD 4.47Å; E393-K397 WeakPolarHBondContact O-CB 3.43Å; E393-K397 WeakPolarHBondContact O-CG 3.46Å; E393-K397 PolarHBondContact O-N 3.14Å; E393-K397 WeakPolarHBondContact OE1-CE 3.39Å; E393-K397 IonicContact OE1-NZ 3.57Å; E393-K397 PolarHBondContact OE1-NZ 2.77Å; E393-K397 IonicContact OE2-NZ 3.46Å; E393-K397 PolarHBondContact OE2-NZ 3.49Å; K397-S401 PolarHBondContact O-N 2.88Å; K397-S401 VanDerWaalsContact O-N 3.14Å
398	R	89.8	Confident	86.3	Confident	56 Å²	56	71.5 Å²	71.5	21%	0.211	35%	0.348	C	S	.	.	H	α-helix	trans	-69.4	-42.9	178.6	-172.2	60.6	173.8	179.7	-1	112.2	L326 I347 M394 F395 E396 V400 S401 L402	L326-R398 HydrophobicContact CD2-CB 3.96Å; L326-R398 HydrophobicContact CD2-CG 3.9Å; I347-R398 HydrophobicContact CD1-CB 4.23Å; I347-R398 HydrophobicContact CD1-CG 3.72Å; M394-R398 WeakPolarHBondContact O-CB 3.47Å; M394-R398 PolarHBondContact O-N 3.26Å; F395-R398 PolarHBondContact O-N 3.44Å; E396-R398 VanDerWaalsContact C-N 3.27Å; E396-R398 PolarHBondContact O-N 3.37Å; R398-V400 PolarHBondContact O-N 3.43Å; R398-S401 WeakPolarHBondContact O-CB 3.5Å; R398-S401 PolarHBondContact O-N 3.34Å; R398-L402 HydrophobicContact CG-CD1 3.95Å; R398-L402 HydrophobicContact CG-CG 4.4Å; R398-L402 WeakPolarHBondContact O-CG 3.49Å; R398-L402 PolarHBondContact O-N 3.02Å
399	R	90.1	Very high	84.3	Confident	50 Å²	50	79.5 Å²	79.5	19%	0.189	39%	0.385	C	S	.	.	H	α-helix	trans	-57.5	-48.3	174.7	-78.5	-178	77	-162.6	11.7	111.7	L344 I347 E348 F395 E396 S401 L402 K403	L344-R399 HydrophobicContact CD2-CB 4.25Å; L344-R399 HydrophobicContact CD2-CG 4.19Å; I347-R399 HydrophobicContact CB-CG 4.48Å; I347-R399 HydrophobicContact CG2-CG 3.61Å; E348-R399 IonicContact OE1-CZ 3.41Å; E348-R399 IonicContact OE1-NE 2.79Å; E348-R399 IonicContact OE1-NH2 3.59Å; E348-R399 PolarHBondContact OE1-NH2 2.96Å; F395-R399 WeakPolarHBondContact O-CG 3.47Å; F395-R399 PolarHBondContact O-N 3.47Å; E396-R399 PolarHBondContact O-N 3Å; E396-R399 IonicContact OE2-NH1 3.55Å; E396-R399 PolarHBondContact OE2-NH1 2.94Å; R399-S401 VanDerWaalsContact C-N 3.29Å; R399-S401 PolarHBondContact O-N 3.16Å; R399-L402 PolarHBondContact O-N 3.13Å; R399-K403 WeakPolarHBondContact O-CB 3.41Å; R399-K403 WeakPolarHBondContact O-CG 3.46Å; R399-K403 PolarHBondContact O-N 2.86Å
400	V	88.8	Confident	82.2	Confident	73 Å²	73	81.3 Å²	81.3	44%	0.442	40%	0.402	S	S	.	.	H	α-helix	trans	-60.1	-42.3	178	173.3	0	0	0	0	110.7	E396 R398 R404	E396-V400 WeakPolarHBondContact O-CG2 3.45Å; E396-V400 PolarHBondContact O-N 3.23Å; R398-V400 PolarHBondContact O-N 3.43Å; V400-R404 VanDerWaalsContact O-CG 3.3Å; V400-R404 WeakPolarHBondContact O-CG 3.34Å; V400-R404 PolarHBondContact O-N 3.25Å
401	S	87.1	Confident	79.8	Confident	51 Å²	51	88.5 Å²	88.5	36%	0.357	42%	0.424	S	S	.	.	H	α-helix	trans	-62.6	-45.2	176.1	-174.4	0	0	0	0	112.6	K397 R398 R399 R404 L405	K397-S401 PolarHBondContact O-N 2.88Å; K397-S401 VanDerWaalsContact O-N 3.14Å; R398-S401 WeakPolarHBondContact O-CB 3.5Å; R398-S401 PolarHBondContact O-N 3.34Å; R399-S401 VanDerWaalsContact C-N 3.29Å; R399-S401 PolarHBondContact O-N 3.16Å; S401-R404 PolarHBondContact O-N 3.27Å; S401-L405 WeakPolarHBondContact O-CG 3.41Å; S401-L405 PolarHBondContact O-N 3.43Å
402	L	86.6	Confident	77.4	Confident	0 Å²	0	94.3 Å²	94.3	0%	0	46%	0.461	C	S	.	.	H	α-helix	trans	-71.4	-39.7	-177.9	-68.3	168.7	0	0	0	112.2	C334 A340 A343 L344 I347 R398 R399 R404 L405 S406	C334-L402 HydrophobicContact CB-CD2 4.06Å; A340-L402 HydrophobicContact CB-CD2 4.28Å; A343-L402 HydrophobicContact CB-CD1 3.83Å; A343-L402 HydrophobicContact CB-CD2 4.25Å; L344-L402 HydrophobicContact CD1-CB 3.99Å; L344-L402 HydrophobicContact CD2-CB 3.8Å; L344-L402 HydrophobicContact CD2-CD1 4.34Å; L344-L402 HydrophobicContact CG-CB 3.6Å; L344-L402 HydrophobicContact CG-CD1 4.17Å; I347-L402 HydrophobicContact CD1-CD1 3.75Å; R398-L402 HydrophobicContact CG-CD1 3.95Å; R398-L402 HydrophobicContact CG-CG 4.4Å; R398-L402 WeakPolarHBondContact O-CG 3.49Å; R398-L402 PolarHBondContact O-N 3.02Å; R399-L402 PolarHBondContact O-N 3.13Å; L402-R404 PolarHBondContact O-N 2.92Å; L402-L405 HydrophobicContact CD2-CD1 4.48Å; L402-L405 WeakPolarHBondContact O-CA 3.5Å; L402-L405 WeakPolarHBondContact O-CB 3.42Å; L402-L405 PolarHBondContact O-N 2.94Å; L402-S406 PolarHBondContact O-N 3.32Å; L402-S406 PolarHBondContact O-OG 3.31Å
403	K	86.5	Confident	75.1	Confident	96 Å²	96	98.5 Å²	98.5	42%	0.417	49%	0.485	S	S	.	.	H	α-helix	trans	-58.9	-35.7	173.5	-75.7	179.3	-179.8	177.3	0	112.1	L344 R399 L405 S406 A407	L344-K403 HydrophobicContact CD1-CG 3.97Å; L344-K403 HydrophobicContact CD2-CG 3.98Å; R399-K403 WeakPolarHBondContact O-CB 3.41Å; R399-K403 WeakPolarHBondContact O-CG 3.46Å; R399-K403 PolarHBondContact O-N 2.86Å; K403-L405 VanDerWaalsContact C-N 3.35Å; K403-S406 PolarHBondContact O-OG 3.3Å; K403-A407 VanDerWaalsContact O-CB 3.27Å; K403-A407 WeakPolarHBondContact O-CB 3.26Å; K403-A407 PolarHBondContact O-N 3.49Å
404	R	84.1	Confident	72.6	Confident	188 Å²	188	102 Å²	102	71%	0.709	50%	0.501	S	S	*	.	H	α-helix	trans	-71.6	-27.8	174.5	-71.7	176	70.1	-171.1	3	113.2	V400 S401 L402	V400-R404 VanDerWaalsContact O-CG 3.3Å; V400-R404 WeakPolarHBondContact O-CG 3.34Å; V400-R404 PolarHBondContact O-N 3.25Å; S401-R404 PolarHBondContact O-N 3.27Å; L402-R404 PolarHBondContact O-N 2.92Å
405	L	79.7	Confident	70.5	Confident	57 Å²	57	102.8 Å²	102.8	30%	0.298	51%	0.514	S	S	.	.	H	α-helix	trans	-79.8	-40.7	177.5	-72.9	167.6	0	0	0	111.6	A340 S401 L402 K403 A407 K408	A340-L405 HydrophobicContact CB-CB 4.24Å; S401-L405 WeakPolarHBondContact O-CG 3.41Å; S401-L405 PolarHBondContact O-N 3.43Å; L402-L405 HydrophobicContact CD2-CD1 4.48Å; L402-L405 WeakPolarHBondContact O-CA 3.5Å; L402-L405 WeakPolarHBondContact O-CB 3.42Å; L402-L405 PolarHBondContact O-N 2.94Å; K403-L405 VanDerWaalsContact C-N 3.35Å; L405-A407 VanDerWaalsContact C-N 3.35Å; L405-K408 PolarHBondContact O-N 2.96Å
406	S	73.1	Confident	67.7	Low	23 Å²	23	109.5 Å²	109.5	16%	0.161	55%	0.554	C	S	.	*	H	α-helix	trans	-69.3	-30.8	175.8	64	0	0	0	0	113	L402 K403 K408	L402-S406 PolarHBondContact O-N 3.32Å; L402-S406 PolarHBondContact O-OG 3.31Å; K403-S406 PolarHBondContact O-OG 3.3Å; S406-K408 VanDerWaalsContact C-N 3.27Å; S406-K408 PolarHBondContact O-N 3.41Å
407	A	74.1	Confident	65.1	Low	77 Å²	77	109.4 Å²	109.4	64%	0.636	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-7	177.2	0	0	0	0	0	114.9	K403 L405 Q409	K403-A407 VanDerWaalsContact O-CB 3.27Å; K403-A407 WeakPolarHBondContact O-CB 3.26Å; K403-A407 PolarHBondContact O-N 3.49Å; L405-A407 VanDerWaalsContact C-N 3.35Å; A407-Q409 PolarHBondContact O-N 3.33Å
408	K	62.3	Low	63.1	Low	153 Å²	153	109.2 Å²	109.2	67%	0.665	58%	0.58	S	S	*	*			trans	-77.5	91.3	176.6	-79.6	-179	179.9	178.6	0	110.5	L405 S406 T410	L405-K408 PolarHBondContact O-N 2.96Å; S406-K408 VanDerWaalsContact C-N 3.27Å; S406-K408 PolarHBondContact O-N 3.41Å; K408-T410 PolarHBondContact O-N 3.3Å
409	Q	47.5	Very low	60.8	Low	180 Å²	180	116.7 Å²	116.7	84%	0.841	61%	0.608	S	S	*	*			trans	-58.2	124.8	166.3	-161.2	177.8	68.5	0	0	110.2	A407 R411	A407-Q409 PolarHBondContact O-N 3.33Å; Q409-R411 PolarHBondContact O-N 2.92Å
410	T	46.9	Very low	58.4	Low	131 Å²	131	120.6 Å²	120.6	80%	0.804	64%	0.64	S	S	*	*			trans	-57.9	114.9	170.1	17.9	0	0	0	0	109.2	K408	K408-T410 PolarHBondContact O-N 3.3Å
411	R	43.8	Very low	56.1	Low	227 Å²	227	124.5 Å²	124.5	86%	0.857	65%	0.653	S	S	*	*			trans	-68	143.6	168.9	-72.6	-170.8	-172.1	-167.5	2.5	109.6	Q409 I413	Q409-R411 PolarHBondContact O-N 2.92Å; R411-I413 PolarHBondContact O-N 2.73Å
412	P	41.6	Very low	53.4	Low	126 Å²	126	128 Å²	128	82%	0.818	68%	0.677	S	S	*	*			trans	-60.4	129.4	171.5	-17	29.2	0	0	0	110.4	Q414	P412-Q414 PolarHBondContact O-N 3.21Å
413	I	39.4	Very low	50.9	Low	166 Å²	166	133.4 Å²	133.4	85%	0.851	72%	0.715	S	S	*	*			trans	-77.4	115.5	179.6	-54.3	170.6	0	0	0	108	R411	R411-I413 PolarHBondContact O-N 2.73Å
414	Q	39.6	Very low	49	Very low	177 Å²	177	134 Å²	134	83%	0.827	73%	0.73	S	S	*	*			trans	-87.9	126.6	171.6	-144.4	-178.3	22.8	0	0	109	P412	P412-Q414 PolarHBondContact O-N 3.21Å
415	P	48.4	Very low	46.4	Very low	116 Å²	116	133.6 Å²	133.6	75%	0.753	73%	0.733	S	S	*	*			trans	-90.7	125	-179	32.2	-28.5	0	0	0	111.2
416	V	32.2	Very low	44.2	Very low	141 Å²	141	141.7 Å²	141.7	86%	0.855	76%	0.759	S	S	*	*			trans	-142.9	134.6	162.3	-170.7	0	0	0	0	110.5
417	A	35.6	Very low	42	Very low	87 Å²	87	148.3 Å²	148.3	72%	0.719	79%	0.792	S	S	*	*			trans	-90.7	-160.3	-171.8	0	0	0	0	0	113
418	P	48.4	Very low	40.3	Very low	118 Å²	118	148.6 Å²	148.6	77%	0.766	80%	0.795	S	S	*	*				-116	150.6	-106.6	31.8	-13	0	0	0	116
419	R	40.5	Very low	39.4	Very low	214 Å²	214	146.5 Å²	146.5	81%	0.808	80%	0.796	S	S	*	*			trans	47.1	142.5	154.5	-73.4	-167.1	-175.3	-164.6	3.7	120
420	P	40.2	Very low	38.7	Very low	131 Å²	131	143 Å²	143	85%	0.851	78%	0.784	S	S	*	*				-145.8	161.9	86.4	30.5	-9	0	0	0	116.5
421	E	41	Very low	37.9	Very low	156 Å²	156	145.8 Å²	145.8	73%	0.729	78%	0.781	S	S	*	*			trans	-69.2	148.4	175.1	-60.5	-177.4	167.6	0	0	113.3
422	S	29.2	Very low	37.2	Very low	123 Å²	123	142.1 Å²	142.1	86%	0.86	77%	0.771	S	S	*	*			trans	176.3	130.1	135.4	37.2	0	0	0	0	113
423	S	34.7	Very low	36.7	Very low	114 Å²	114	142 Å²	142	80%	0.797	76%	0.763	S	S	*	*			trans	-68	166.8	154	-68.9	0	0	0	0	110.2
424	P	46	Very low	36.3	Very low	110 Å²	110	142.7 Å²	142.7	71%	0.714	76%	0.76	S	S	*	*			cis	-157.2	-177.4	40.7	42.5	-18.9	0	0	0	119.9
425	K	30.5	Very low	35.8	Very low	179 Å²	179	143.1 Å²	143.1	78%	0.778	76%	0.762	S	S	*	*			trans	73.5	111.8	149.8	-79.4	168.4	-175.3	178.8	0	120.7
426	R	32.4	Very low	34.8	Very low	226 Å²	226	141 Å²	141	85%	0.853	76%	0.762	S	S	*	*				82.1	135.6	99.3	-86.8	-164.8	-169.5	-168.7	5	113.7
427	L	28.3	Very low	34.6	Very low	162 Å²	162	144.3 Å²	144.3	85%	0.848	76%	0.764	S	S	*	*			cis	-151.9	156.2	44.4	-82.5	157.2	0	0	0	112.9
428	A	37	Very low	34.5	Very low	84 Å²	84	147.5 Å²	147.5	69%	0.694	77%	0.768	S	S	*	*			trans	-82.4	-175	172.4	0	0	0	0	0	111.6
429	P	43.9	Very low	33.4	Very low	108 Å²	108	148.4 Å²	148.4	70%	0.701	77%	0.771	S	S	*	*			cis	-149.8	157.7	43.4	35.5	-11.1	0	0	0	120.4
430	N	32.2	Very low	32.7	Very low	108 Å²	108	147 Å²	147	58%	0.578	77%	0.771	S	S	*	*			trans	54.9	148.6	136.1	-51.3	-15.2	0	0	0	121.2
431	Y	31.1	Very low	32.1	Very low	189 Å²	189	150 Å²	150	74%	0.741	77%	0.77	S	S	*	*			cis	-146.4	134.3	26.4	-87.6	-92.7	0	0	0	113.3
432	F	29.6	Very low	31.3	Very low	149 Å²	149	149 Å²	149	65%	0.654	77%	0.77	S	S	*	*			trans	41	115.5	135.3	-67.4	-95.8	0	0	0	121.6
433	L	31.4	Very low	31.1	Very low	125 Å²	125	149.4 Å²	149.4	65%	0.654	76%	0.763	S	S	*	*				72.7	138.9	78	-95	94.7	0	0	0	113.5
434	K	29.9	Very low	30.8	Very low	179 Å²	179	149.8 Å²	149.8	78%	0.778	76%	0.756	S	S	*	*			cis	-165.3	160.6	4.5	-139.7	-178.4	-151.1	166.6	0	109.9
435	Q	29.8	Very low	29.8	Very low	187 Å²	187	150.5 Å²	150.5	87%	0.874	75%	0.753	S	S	*	*			trans	-69	167.4	176	-62.1	161	-38.1	0	0	115.9
436	G	27.1	Very low	29.6	Very low	72 Å²	72	149.3 Å²	149.3	74%	0.742	76%	0.755	S	S	*	*			trans	106.4	145.3	136.1	0	0	0	0	0	114
437	K	28.1	Very low	29.3	Very low	210 Å²	210	144.6 Å²	144.6	91%	0.913	75%	0.745	S	S	*	*			cis	-165.4	159.9	18.9	-105.3	178.1	174.3	-178.9	0	109.1
438	I	32.6	Very low	29.2	Very low	153 Å²	153	142.4 Å²	142.4	79%	0.785	74%	0.739	S	S	*	*			trans	-62.8	143.2	167.2	-63.1	156.3	0	0	0	112.1
439	V	26.5	Very low	28.5	Very low	137 Å²	137	147 Å²	147	83%	0.83	75%	0.746	S	S	*	*			trans	-157.9	142.6	138.4	176	0	0	0	0	111.5
440	F	25.7	Very low	27.6	Very low	184 Å²	184	146.9 Å²	146.9	81%	0.807	74%	0.743	S	S	*	*			trans	-52.5	150.8	175.1	-68.7	-103.7	0	0	0	118.5
441	K	26	Very low	27.4	Very low	194 Å²	194	148.5 Å²	148.5	84%	0.843	76%	0.757	S	S	*	*				163.3	131.1	105.7	-109.4	178.6	175.6	176.1	0	113.9
442	N	24.8	Very low	27.3	Very low	137 Å²	137	143.6 Å²	143.6	73%	0.733	75%	0.747	S	S	*	*			trans	25.4	139.3	138.5	-77.6	19.7	0	0	0	124.5
443	N	26.4	Very low	27.2	Very low	130 Å²	130	144.1 Å²	144.1	70%	0.695	75%	0.751	S	S	*	*			trans	91.8	118.6	133.1	-73.9	12.8	0	0	0	121.2
444	N	27	Very low	27	Very low	123 Å²	123	145 Å²	145	66%	0.658	75%	0.751	S	S	*	*				67.5	128.9	128.1	-79.8	34.9	0	0	0	122.7
445	D	25.6	Very low	26.8	Very low	124 Å²	124	144.4 Å²	144.4	66%	0.663	75%	0.751	S	S	*	*			trans	80.9	116.1	131.3	-67	-24.3	0	0	0	119.9
446	L	26.6	Very low	26.7	Very low	154 Å²	154	138.8 Å²	138.8	81%	0.806	74%	0.743	S	S	*	*				60.9	137.9	122.4	-114.2	77.2	0	0	0	116.1
447	I	26.6	Very low	26.6	Very low	127 Å²	127	144.3 Å²	144.3	65%	0.651	75%	0.75	S	S	*	*			cis	-169.7	155.2	39.8	-47.2	177.9	0	0	0	107.9
448	T	24.5	Very low	26.5	Very low	117 Å²	117	140.7 Å²	140.7	72%	0.718	75%	0.745	S	S	*	*			trans	62.3	134.7	145.2	39.7	0	0	0	0	119.6
449	E	23.3	Very low	26.3	Very low	180 Å²	180	145 Å²	145	84%	0.841	75%	0.751	S	S	*	*				-150.4	130.3	66.1	-84.5	177.4	138.4	0	0	114.7
450	T	24.4	Very low	26.4	Very low	105 Å²	105	143.4 Å²	143.4	64%	0.644	75%	0.747	S	S	*	*				3.7	127.5	128.2	16.4	0	0	0	0	121.5	V452	T450-V452 HydrophobicContact CG2-CG2 4.23Å
451	V	28.8	Very low	26.6	Very low	142 Å²	142	143.5 Å²	143.5	86%	0.861	75%	0.75	S	S	*	*				-153.8	97.3	127.3	-179.6	0	0	0	0	106.2
452	V	27.8	Very low	26.7	Very low	87 Å²	87	137.2 Å²	137.2	53%	0.527	74%	0.739	S	S	.	*				65.8	97.3	80.5	-167.2	0	0	0	0	114.7	T450	T450-V452 HydrophobicContact CG2-CG2 4.23Å
453	H	28.1	Very low	27	Very low	160 Å²	160	137 Å²	137	74%	0.741	75%	0.745	S	S	*	*				170.9	110.7	111.5	-94.1	-62.9	0	0	0	108.8
454	H	26.9	Very low	27	Very low	142 Å²	142	142 Å²	142	66%	0.657	76%	0.755	S	S	*	*				68.1	137.9	81.6	-85	-11.1	0	0	0	113.4
455	H	26	Very low	27	Very low	168 Å²	168	140.4 Å²	140.4	78%	0.778	75%	0.753	S	S	*	*			cis	-176.2	162.4	-6.6	-129.2	-6.4	0	0	0	105.1
456	G	27	Very low	27.2	Very low	69 Å²	69	140.1 Å²	140.1	71%	0.711	76%	0.759	S	S	*	*			trans	147.1	64.9	155	0	0	0	0	0	115.3
457	E	26.2	Very low	27.6	Very low	188 Å²	188	136.3 Å²	136.3	88%	0.879	75%	0.75	S	S	*	*			trans	-56.2	142.7	157.8	-65	174.8	139.5	0	0	110.3
458	T	26	Very low	27.9	Very low	133 Å²	133	136.2 Å²	136.2	82%	0.816	75%	0.75	S	S	*	*			trans	-141.7	117.9	148.7	-36.9	0	0	0	0	109.5	S460	T458-S460 PolarHBondContact O-N 2.92Å
459	R	29.2	Very low	28.4	Very low	243 Å²	243	140 Å²	140	92%	0.917	75%	0.751	S	S	*	*			trans	-46.5	124	160.1	-85.7	165.9	151	168.6	-6.2	110.8
460	S	27.8	Very low	29.1	Very low	105 Å²	105	135.5 Å²	135.5	73%	0.734	74%	0.736	S	S	*	*			trans	-137.8	95.5	151.3	55	0	0	0	0	106.7	T458	T458-S460 PolarHBondContact O-N 2.92Å
461	Q	29.1	Very low	30.1	Very low	186 Å²	186	134.8 Å²	134.8	87%	0.869	73%	0.728	S	S	*	*				58.4	99.5	107.3	-69.5	-170.8	6.2	0	0	111.6
462	G	28.2	Very low	31.4	Very low	61 Å²	61	131.9 Å²	131.9	63%	0.629	71%	0.714	S	S	*	*			trans	-56.3	152.8	157.7	0	0	0	0	0	110	R464	G462-R464 VanDerWaalsContact C-N 3.35Å; G462-R464 PolarHBondContact O-N 3.27Å
463	P	31.1	Very low	32.9	Very low	132 Å²	132	128.8 Å²	128.8	86%	0.857	70%	0.696	S	S	*	*			trans	-68.1	104.6	163.7	27.8	-25.9	0	0	0	106.4	S465	P463-S465 PolarHBondContact O-N 3.48Å
464	R	27.1	Very low	34.8	Very low	237 Å²	237	124.6 Å²	124.6	89%	0.894	68%	0.684	S	S	*	*			trans	-53.8	98.3	149.1	-75.2	178.6	171.6	178	-2.9	106.2	G462 C466	G462-R464 VanDerWaalsContact C-N 3.35Å; G462-R464 PolarHBondContact O-N 3.27Å; R464-C466 PolarHBondContact O-N 2.88Å
465	S	26.5	Very low	37.3	Very low	88 Å²	88	126.1 Å²	126.1	62%	0.615	69%	0.686	S	S	*	*			trans	-74	79.6	153.9	-174.9	0	0	0	0	107	P463	P463-S465 PolarHBondContact O-N 3.48Å
466	C	30.1	Very low	40	Very low	118 Å²	118	121.8 Å²	121.8	80%	0.797	67%	0.668	S	S	*	*			trans	-96.9	128	150.6	-166.1	0	0	0	0	104.8	R464	R464-C466 PolarHBondContact O-N 2.88Å
467	A	34.5	Very low	42.7	Very low	75 Å²	75	119.7 Å²	119.7	62%	0.62	64%	0.639	S	S	*	*			trans	86.3	63.1	-175.5	0	0	0	0	0	117.1
468	I	34.1	Very low	45.6	Very low	124 Å²	124	114.9 Å²	114.9	64%	0.636	62%	0.619	S	S	*	*			trans	-120.9	71.7	141.1	-51.6	175.1	0	0	0	106.8
469	R	34.3	Very low	48.5	Very low	198 Å²	198	114.2 Å²	114.2	75%	0.747	61%	0.606	S	S	*	*	S	Bend	trans	-135.9	-0.9	164.8	-140.5	179	66.8	-175.7	0.4	112.2
470	T	37.9	Very low	51.4	Low	85 Å²	85	103.1 Å²	103.1	52%	0.521	57%	0.565	S	S	.	*	S	Bend	trans	-89.5	-40.9	175.2	40.2	0	0	0	0	110.9	C473	T470-C473 WeakPolarHBondContact O-CB 3.27Å; T470-C473 PolarHBondContact O-N 3.2Å
471	D	46.5	Very low	54.4	Low	89 Å²	89	98.3 Å²	98.3	48%	0.476	53%	0.531	S	S	.	.	H	α-helix	trans	-71.5	-38.8	-174.3	-65.3	1.7	0	0	0	113.5	C473 S474 Y475	D471-C473 PolarHBondContact O-N 3.36Å; D471-C473 VanDerWaalsContact O-N 3.14Å; D471-S474 PolarHBondContact O-N 2.99Å; D471-Y475 HydrophobicContact CB-CD2 4.42Å; D471-Y475 HydrophobicContact CB-CE2 4.22Å; D471-Y475 WeakPolarHBondContact O-CD2 3.43Å; D471-Y475 PolarHBondContact O-N 3.46Å; D471-Y475 VanDerWaalsContact O-N 3.15Å
472	S	55.3	Low	57.3	Low	82 Å²	82	93.1 Å²	93.1	57%	0.573	51%	0.512	S	S	*	.	H	α-helix	trans	-58.1	-29.4	176.7	159.2	0	0	0	0	112.9	L476	S472-L476 WeakPolarHBondContact O-CB 3.28Å; S472-L476 PolarHBondContact O-N 3Å
473	C	59.2	Low	60.5	Low	21 Å²	21	94.1 Å²	94.1	14%	0.142	50%	0.5	C	S	.	.	H	α-helix	trans	-73.8	-44.4	-177.2	-136.7	0	0	0	0	110.8	T470 D471 L476 F477 C629	T470-C473 WeakPolarHBondContact O-CB 3.27Å; T470-C473 PolarHBondContact O-N 3.2Å; D471-C473 PolarHBondContact O-N 3.36Å; D471-C473 VanDerWaalsContact O-N 3.14Å; C473-L476 PolarHBondContact O-N 3.26Å; C473-F477 WeakPolarHBondContact O-CB 3.2Å; C473-F477 PolarHBondContact O-N 3.25Å; C473-C629 VanDerWaalsContact SG-C 3.57Å; C473-C629 VanDerWaalsContact SG-CA 3.54Å; C473-C629 PolarHBondContact SG-O 3.31Å
474	S	68.8	Low	63.5	Low	72 Å²	72	87.9 Å²	87.9	50%	0.503	46%	0.46	S	S	.	.	H	α-helix	trans	-70.2	-39	179.3	-58	0	0	0	0	112.7	D471 F477 I478	D471-S474 PolarHBondContact O-N 2.99Å; S474-F477 PolarHBondContact O-N 3.25Å; S474-I478 WeakPolarHBondContact O-CG1 3.39Å; S474-I478 PolarHBondContact O-N 3.2Å
475	Y	77.9	Confident	66.8	Low	174 Å²	174	77 Å²	77	68%	0.682	42%	0.42	S	S	*	.	H	α-helix	trans	-64.3	-40.4	174	-75.5	-68.9	0	0	0	112.2	D471 H479	D471-Y475 HydrophobicContact CB-CD2 4.42Å; D471-Y475 HydrophobicContact CB-CE2 4.22Å; D471-Y475 WeakPolarHBondContact O-CD2 3.43Å; D471-Y475 PolarHBondContact O-N 3.46Å; D471-Y475 VanDerWaalsContact O-N 3.15Å; Y475-H479 VanDerWaalsContact O-CB 3.32Å; Y475-H479 WeakPolarHBondContact O-CB 3.27Å; Y475-H479 PolarHBondContact O-N 2.77Å
476	L	82.6	Confident	70.1	Confident	78 Å²	78	77.2 Å²	77.2	41%	0.408	41%	0.41	S	S	.	.	H	α-helix	trans	-66.3	-40.7	177	-175.8	55.3	0	0	0	111.4	S472 C473 H479 I480 C629	S472-L476 WeakPolarHBondContact O-CB 3.28Å; S472-L476 PolarHBondContact O-N 3Å; C473-L476 PolarHBondContact O-N 3.26Å; L476-H479 WeakPolarHBondContact O-CB 3.24Å; L476-H479 PolarHBondContact O-N 2.95Å; L476-I480 HydrophobicContact CD1-CD1 4.34Å; L476-I480 HydrophobicContact CD1-CG1 4.39Å; L476-I480 HydrophobicContact CG-CD1 4.13Å; L476-I480 WeakPolarHBondContact O-CD1 3.37Å; L476-I480 VanDerWaalsContact O-CG1 3.23Å; L476-I480 WeakPolarHBondContact O-CG1 3.4Å; L476-I480 PolarHBondContact O-N 3.41Å; L476-C629 WeakPolarHBondContact CD2-SG 3.44Å
477	F	84.9	Confident	73.3	Confident	25 Å²	25	72.5 Å²	72.5	11%	0.11	38%	0.379	C	S	.	.	H	α-helix	trans	-59.6	-48.2	175.4	-170.6	-94.3	0	0	0	112.4	C473 S474 H479 I480 I481 P552 I555 M626 L638	C473-F477 WeakPolarHBondContact O-CB 3.2Å; C473-F477 PolarHBondContact O-N 3.25Å; S474-F477 PolarHBondContact O-N 3.25Å; F477-H479 VanDerWaalsContact C-N 3.31Å; F477-H479 PolarHBondContact O-N 3.19Å; F477-I480 PolarHBondContact O-N 2.67Å; F477-I481 HydrophobicContact CD1-CD1 3.77Å; F477-I481 HydrophobicContact CE1-CD1 3.39Å; F477-I481 HydrophobicContact CE1-CG1 4.49Å; F477-I481 HydrophobicContact CZ-CD1 4.1Å; F477-I481 PolarHBondContact O-N 3.17Å; F477-I481 VanDerWaalsContact O-N 3.15Å; F477-P552 HydrophobicContact CD1-CB 4.25Å; F477-P552 HydrophobicContact CE1-CB 3.78Å; F477-I555 HydrophobicContact CZ-CG2 4.36Å; F477-M626 HydrophobicContact CD2-CB 4.08Å; F477-M626 HydrophobicContact CD2-CG 4.46Å; F477-M626 WeakPolarHBondContact CD2-O 3.49Å; F477-M626 HydrophobicContact CE2-CB 3.76Å; F477-M626 HydrophobicContact CE2-CG 4.3Å; F477-L638 HydrophobicContact CE2-CD2 4.02Å; F477-L638 HydrophobicContact CZ-CD2 4.48Å
478	I	85.6	Confident	76.3	Confident	87 Å²	87	69 Å²	69	45%	0.446	35%	0.35	S	S	.	.	H	α-helix	trans	-64.3	-37.8	177	-66.6	167.8	0	0	0	111.2	S474 I481 T482	S474-I478 WeakPolarHBondContact O-CG1 3.39Å; S474-I478 PolarHBondContact O-N 3.2Å; I478-I481 PolarHBondContact O-N 3.45Å; I478-T482 WeakPolarHBondContact O-CB 3.39Å; I478-T482 PolarHBondContact O-N 2.93Å; I478-T482 PolarHBondContact O-OG1 3.44Å
479	H	88.1	Confident	79.3	Confident	118 Å²	118	67.3 Å²	67.3	55%	0.546	34%	0.335	S	S	.	.	H	α-helix	trans	-62.3	-44.5	176.9	-173.2	65.7	0	0	0	112	Y475 L476 F477 I481 T482 E483	Y475-H479 VanDerWaalsContact O-CB 3.32Å; Y475-H479 WeakPolarHBondContact O-CB 3.27Å; Y475-H479 PolarHBondContact O-N 2.77Å; L476-H479 WeakPolarHBondContact O-CB 3.24Å; L476-H479 PolarHBondContact O-N 2.95Å; F477-H479 VanDerWaalsContact C-N 3.31Å; F477-H479 PolarHBondContact O-N 3.19Å; H479-I481 VanDerWaalsContact C-N 3.34Å; H479-I481 PolarHBondContact O-N 2.87Å; H479-T482 WeakPolarHBondContact O-CB 3.47Å; H479-T482 PolarHBondContact O-N 3.09Å; H479-E483 PolarHBondContact O-N 2.97Å
480	I	89.4	Confident	82.2	Confident	10 Å²	10	61.5 Å²	61.5	5%	0.051	32%	0.319	C	S	.	.	H	α-helix	trans	-65.2	-38.2	178.6	-58.6	158.3	0	0	0	110.9	L476 F477 E483 L484 M622 E625 M626	L476-I480 HydrophobicContact CD1-CD1 4.34Å; L476-I480 HydrophobicContact CD1-CG1 4.39Å; L476-I480 HydrophobicContact CG-CD1 4.13Å; L476-I480 WeakPolarHBondContact O-CD1 3.37Å; L476-I480 VanDerWaalsContact O-CG1 3.23Å; L476-I480 WeakPolarHBondContact O-CG1 3.4Å; L476-I480 PolarHBondContact O-N 3.41Å; F477-I480 PolarHBondContact O-N 2.67Å; I480-E483 PolarHBondContact O-N 3.43Å; I480-L484 WeakPolarHBondContact O-CB 3.3Å; I480-L484 PolarHBondContact O-N 3.04Å; I480-M622 HydrophobicContact CG2-CB 4.44Å; I480-M622 HydrophobicContact CG2-CE 4.24Å; I480-E625 HydrophobicContact CD1-CB 4.05Å; I480-M626 HydrophobicContact CB-CE 4.27Å; I480-M626 HydrophobicContact CB-CG 4.05Å; I480-M626 HydrophobicContact CD1-CG 4.44Å; I480-M626 HydrophobicContact CG2-CE 3.62Å; I480-M626 HydrophobicContact CG2-CG 3.65Å
481	I	90.8	Very high	85.1	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-43.2	174.3	-70.4	171.1	0	0	0	110.9	F477 I478 H479 E483 L484 I485 P552 M626	F477-I481 HydrophobicContact CD1-CD1 3.77Å; F477-I481 HydrophobicContact CE1-CD1 3.39Å; F477-I481 HydrophobicContact CE1-CG1 4.49Å; F477-I481 HydrophobicContact CZ-CD1 4.1Å; F477-I481 PolarHBondContact O-N 3.17Å; F477-I481 VanDerWaalsContact O-N 3.15Å; I478-I481 PolarHBondContact O-N 3.45Å; H479-I481 VanDerWaalsContact C-N 3.34Å; H479-I481 PolarHBondContact O-N 2.87Å; I481-E483 VanDerWaalsContact C-N 3.31Å; I481-E483 PolarHBondContact O-N 3.44Å; I481-L484 WeakPolarHBondContact O-CB 3.41Å; I481-L484 PolarHBondContact O-N 3.32Å; I481-L484 VanDerWaalsContact O-N 3.16Å; I481-I485 HydrophobicContact CG2-CD1 3.83Å; I481-I485 HydrophobicContact CG2-CG1 4.5Å; I481-I485 WeakPolarHBondContact O-CG1 3.16Å; I481-I485 PolarHBondContact O-N 3.38Å; I481-P552 HydrophobicContact CD1-CB 3.63Å; I481-M626 HydrophobicContact CB-CE 4.36Å; I481-M626 HydrophobicContact CG1-CE 3.59Å; I481-M626 HydrophobicContact CG1-SD 4.01Å
482	T	91.6	Very high	87.5	Confident	78 Å²	78	53.8 Å²	53.8	48%	0.479	27%	0.274	S	S	.	.	H	α-helix	trans	-60.9	-43.2	176.8	-53.9	0	0	0	0	110.6	I478 H479 L484 I485 E486	I478-T482 WeakPolarHBondContact O-CB 3.39Å; I478-T482 PolarHBondContact O-N 2.93Å; I478-T482 PolarHBondContact O-OG1 3.44Å; H479-T482 WeakPolarHBondContact O-CB 3.47Å; H479-T482 PolarHBondContact O-N 3.09Å; T482-L484 VanDerWaalsContact C-N 3.35Å; T482-L484 PolarHBondContact O-N 3.44Å; T482-I485 PolarHBondContact O-N 3.28Å; T482-E486 WeakPolarHBondContact O-CB 3.45Å; T482-E486 PolarHBondContact O-N 2.82Å
483	E	94.9	Very high	89.5	Confident	82 Å²	82	55.8 Å²	55.8	38%	0.383	27%	0.274	S	S	.	.	H	α-helix	trans	-64.5	-37.7	174.9	-165.9	-164.4	146.2	0	0	112.2	H479 I480 I481 S487 K618 M622	H479-E483 PolarHBondContact O-N 2.97Å; I480-E483 PolarHBondContact O-N 3.43Å; I481-E483 VanDerWaalsContact C-N 3.31Å; I481-E483 PolarHBondContact O-N 3.44Å; E483-S487 WeakPolarHBondContact O-CB 3.2Å; E483-S487 PolarHBondContact O-N 3.11Å; E483-S487 PolarHBondContact O-OG 3.39Å; E483-K618 IonicContact OE1-NZ 2.88Å; E483-M622 HydrophobicContact CB-CE 4.17Å; E483-M622 HydrophobicContact CG-CE 4.29Å
484	L	94.5	Very high	91.2	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-60.9	-49.1	177.2	175.5	62.2	0	0	0	110.6	I480 I481 T482 S487 E488 L545 I555 F559 R615 Y619 M622 M626	I480-L484 WeakPolarHBondContact O-CB 3.3Å; I480-L484 PolarHBondContact O-N 3.04Å; I481-L484 WeakPolarHBondContact O-CB 3.41Å; I481-L484 PolarHBondContact O-N 3.32Å; I481-L484 VanDerWaalsContact O-N 3.16Å; T482-L484 VanDerWaalsContact C-N 3.35Å; T482-L484 PolarHBondContact O-N 3.44Å; L484-S487 PolarHBondContact O-OG 3.47Å; L484-S487 VanDerWaalsContact O-OG 3.13Å; L484-E488 WeakPolarHBondContact O-CB 3.49Å; L484-E488 PolarHBondContact O-N 3.1Å; L484-L545 HydrophobicContact CD2-CD2 3.89Å; L484-L545 HydrophobicContact CG-CD1 4.46Å; L484-L545 HydrophobicContact CG-CD2 4.43Å; L484-I555 HydrophobicContact CD2-CD1 3.85Å; L484-I555 HydrophobicContact CD2-CG1 4.39Å; L484-F559 HydrophobicContact CD2-CE2 4.07Å; L484-F559 HydrophobicContact CD2-CZ 4.21Å; L484-R615 PolarHBondContact O-NH2 3.47Å; L484-Y619 HydrophobicContact CD1-CD1 3.89Å; L484-Y619 HydrophobicContact CD1-CE1 3.93Å; L484-M622 HydrophobicContact CB-CE 3.6Å; L484-M622 HydrophobicContact CB-SD 4.16Å; L484-M622 HydrophobicContact CD1-CE 4.22Å; L484-M622 HydrophobicContact CD1-SD 3.58Å; L484-M622 VanDerWaalsContact CD1-SD 3.58Å; L484-M622 HydrophobicContact CG-SD 4.46Å; L484-M626 HydrophobicContact CB-CE 4.21Å; L484-M626 HydrophobicContact CD2-CE 3.85Å
485	I	95.4	Very high	92.6	Very high	9 Å²	9	53.7 Å²	53.7	5%	0.046	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-48	179.4	-64.8	164.3	0	0	0	110.3	I481 T482 S487 E488 R489 L545 E546 A549	I481-I485 HydrophobicContact CG2-CD1 3.83Å; I481-I485 HydrophobicContact CG2-CG1 4.5Å; I481-I485 WeakPolarHBondContact O-CG1 3.16Å; I481-I485 PolarHBondContact O-N 3.38Å; T482-I485 PolarHBondContact O-N 3.28Å; I485-S487 PolarHBondContact O-N 2.88Å; I485-E488 WeakPolarHBondContact O-CA 3.36Å; I485-E488 VanDerWaalsContact O-CB 3.3Å; I485-E488 WeakPolarHBondContact O-CB 3.08Å; I485-E488 PolarHBondContact O-N 3.28Å; I485-R489 PolarHBondContact O-N 3.32Å; I485-L545 VanDerWaalsContact CD1-O 3.29Å; I485-L545 WeakPolarHBondContact CD1-O 3.42Å; I485-L545 HydrophobicContact CG1-CB 4.2Å; I485-E546 HydrophobicContact CG2-CG 3.81Å; I485-A549 HydrophobicContact CD1-CB 3.87Å
486	E	95.8	Very high	93.5	Very high	91 Å²	91	48.4 Å²	48.4	43%	0.425	24%	0.236	S	C	.	.	H	α-helix	trans	-66.2	-41.7	-177.1	-166.9	59.5	-161.2	0	0	111.6	T482 E488 R489 I490	T482-E486 WeakPolarHBondContact O-CB 3.45Å; T482-E486 PolarHBondContact O-N 2.82Å; E486-E488 PolarHBondContact O-N 3.27Å; E486-R489 PolarHBondContact O-N 3.35Å; E486-R489 IonicContact OE2-CZ 3.5Å; E486-R489 IonicContact OE2-NH1 3.28Å; E486-R489 PolarHBondContact OE2-NH1 2.97Å; E486-I490 WeakPolarHBondContact O-CG1 3.22Å; E486-I490 PolarHBondContact O-N 3.47Å; E486-I490 VanDerWaalsContact O-N 3.14Å
487	S	96.4	Very high	94.2	Very high	20 Å²	20	45.8 Å²	45.8	14%	0.14	22%	0.224	C	C	.	.	H	α-helix	trans	-69.6	-21.1	174	70.1	0	0	0	0	113.3	E483 L484 I485 Y491 R615	E483-S487 WeakPolarHBondContact O-CB 3.2Å; E483-S487 PolarHBondContact O-N 3.11Å; E483-S487 PolarHBondContact O-OG 3.39Å; L484-S487 PolarHBondContact O-OG 3.47Å; L484-S487 VanDerWaalsContact O-OG 3.13Å; I485-S487 PolarHBondContact O-N 2.88Å; S487-Y491 WeakPolarHBondContact O-CB 3.4Å; S487-Y491 PolarHBondContact O-N 2.58Å; S487-Y491 VanDerWaalsContact O-N 3.16Å; S487-R615 PolarHBondContact O-NH1 3.35Å; S487-R615 VanDerWaalsContact O-NH1 3.14Å; S487-R615 PolarHBondContact OG-NH1 2.71Å
488	E	97.6	Very high	94.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-72.8	-44.3	170.9	-174.8	68	-172.9	0	0	111.3	L484 I485 E486 I490 Y491 V492 H537 L542 L545 R615 Y619	L484-E488 WeakPolarHBondContact O-CB 3.49Å; L484-E488 PolarHBondContact O-N 3.1Å; I485-E488 WeakPolarHBondContact O-CA 3.36Å; I485-E488 VanDerWaalsContact O-CB 3.3Å; I485-E488 WeakPolarHBondContact O-CB 3.08Å; I485-E488 PolarHBondContact O-N 3.28Å; E486-E488 PolarHBondContact O-N 3.27Å; E488-I490 VanDerWaalsContact C-N 3.34Å; E488-I490 PolarHBondContact O-N 2.79Å; E488-Y491 WeakPolarHBondContact O-CB 3.29Å; E488-Y491 PolarHBondContact O-N 2.82Å; E488-Y491 VanDerWaalsContact O-N 3.12Å; E488-V492 WeakPolarHBondContact O-CG2 3.38Å; E488-V492 PolarHBondContact O-N 3.22Å; E488-H537 IonicContact OE1-CE1 2.84Å; E488-H537 IonicContact OE1-CG 2.81Å; E488-H537 IonicContact OE1-ND1 3.71Å; E488-H537 PolarHBondContact OE1-ND1 2.94Å; E488-L542 HydrophobicContact CB-CD1 4Å; E488-L542 HydrophobicContact CG-CB 4.09Å; E488-L542 HydrophobicContact CG-CD1 3.7Å; E488-L542 HydrophobicContact CG-CG 4.45Å; E488-L545 HydrophobicContact CB-CD1 4.11Å; E488-L545 HydrophobicContact CG-CD1 3.81Å; E488-R615 IonicContact OE2-CZ 2.81Å; E488-R615 IonicContact OE2-NE 3.34Å; E488-R615 PolarHBondContact OE2-NE 2.8Å; E488-R615 IonicContact OE2-NH2 3.19Å; E488-R615 PolarHBondContact OE2-NH2 2.86Å; E488-Y619 PolarHBondContact OE2-OH 2.91Å
489	R	97.5	Very high	95.2	Very high	89 Å²	89	41.6 Å²	41.6	34%	0.336	20%	0.203	S	C	.	.	H	α-helix	trans	-56.4	-50.2	175.6	-70.6	-179.1	-179.7	140.8	-3.9	111.2	I485 E486 Y491 V492 E493 L542 E546	I485-R489 PolarHBondContact O-N 3.32Å; E486-R489 PolarHBondContact O-N 3.35Å; E486-R489 IonicContact OE2-CZ 3.5Å; E486-R489 IonicContact OE2-NH1 3.28Å; E486-R489 PolarHBondContact OE2-NH1 2.97Å; R489-Y491 VanDerWaalsContact C-N 3.28Å; R489-Y491 PolarHBondContact O-N 3.34Å; R489-V492 PolarHBondContact O-N 3.33Å; R489-E493 WeakPolarHBondContact O-CG 3.32Å; R489-E493 PolarHBondContact O-N 3.07Å; R489-L542 HydrophobicContact CG-CD1 3.64Å; R489-L542 HydrophobicContact CG-CD2 4.13Å; R489-E546 IonicContact CZ-OE1 3.47Å; R489-E546 VanDerWaalsContact CZ-OE1 3.24Å; R489-E546 IonicContact NE-OE1 3.48Å; R489-E546 PolarHBondContact NE-OE1 3.18Å; R489-E546 IonicContact NH2-OE1 2.75Å; R489-E546 PolarHBondContact NH2-OE1 3.39Å
490	I	96.2	Very high	95.5	Very high	77 Å²	77	41.6 Å²	41.6	40%	0.395	20%	0.203	S	C	.	.	H	α-helix	trans	-58.5	-43.1	176.7	-64.3	166.6	0	0	0	110.6	E486 E488 V492 E493 E494	E486-I490 WeakPolarHBondContact O-CG1 3.22Å; E486-I490 PolarHBondContact O-N 3.47Å; E486-I490 VanDerWaalsContact O-N 3.14Å; E488-I490 VanDerWaalsContact C-N 3.34Å; E488-I490 PolarHBondContact O-N 2.79Å; I490-V492 PolarHBondContact O-N 2.84Å; I490-E493 PolarHBondContact O-N 3.45Å; I490-E494 HydrophobicContact CG2-CG 4.3Å; I490-E494 WeakPolarHBondContact O-CB 3.38Å; I490-E494 VanDerWaalsContact O-CG 3.23Å; I490-E494 WeakPolarHBondContact O-CG 3.31Å; I490-E494 PolarHBondContact O-N 2.88Å
491	Y	97.8	Very high	95.6	Very high	7 Å²	7	41.3 Å²	41.3	3%	0.027	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-44.1	177.9	174.9	-116.2	0	0	0	112.2	S487 E488 R489 E494 L495 I533 H537 Y569 K611 P612 R615	S487-Y491 WeakPolarHBondContact O-CB 3.4Å; S487-Y491 PolarHBondContact O-N 2.58Å; S487-Y491 VanDerWaalsContact O-N 3.16Å; E488-Y491 WeakPolarHBondContact O-CB 3.29Å; E488-Y491 PolarHBondContact O-N 2.82Å; E488-Y491 VanDerWaalsContact O-N 3.12Å; R489-Y491 VanDerWaalsContact C-N 3.28Å; R489-Y491 PolarHBondContact O-N 3.34Å; Y491-E494 PolarHBondContact O-N 3.41Å; Y491-L495 HydrophobicContact CD1-CD1 4.36Å; Y491-L495 HydrophobicContact CD2-CG 4.34Å; Y491-L495 HydrophobicContact CE1-CD1 3.71Å; Y491-L495 HydrophobicContact CE1-CG 4.37Å; Y491-L495 HydrophobicContact CE2-CD1 4.09Å; Y491-L495 HydrophobicContact CE2-CD2 4.02Å; Y491-L495 HydrophobicContact CE2-CG 3.97Å; Y491-L495 WeakPolarHBondContact O-CG 3.46Å; Y491-L495 PolarHBondContact O-N 2.8Å; Y491-I533 WeakPolarHBondContact OH-CG2 3.39Å; Y491-H537 AromaticContact CE1-CG 3.9Å; Y491-Y569 PolarHBondContact OH-OH 3.42Å; Y491-K611 HydrophobicContact CD2-CB 4.35Å; Y491-K611 HydrophobicContact CE2-CB 4.08Å; Y491-P612 WeakPolarHBondContact OH-CA 3.35Å; Y491-P612 WeakPolarHBondContact OH-CB 3.29Å; Y491-R615 HydrophobicContact CD1-CG 3.78Å; Y491-R615 HydrophobicContact CD2-CB 4.23Å; Y491-R615 HydrophobicContact CD2-CG 4.22Å; Y491-R615 HydrophobicContact CE1-CB 4.19Å; Y491-R615 HydrophobicContact CE1-CG 3.7Å; Y491-R615 HydrophobicContact CE2-CB 3.84Å; Y491-R615 HydrophobicContact CE2-CG 4.13Å; Y491-R615 HydrophobicContact CG-CG 4.04Å
492	V	98.1	Very high	95.8	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.03	20%	0.202	C	C	.	.	H	α-helix	trans	-63.5	-43.5	176.5	170.4	0	0	0	0	111.6	E488 R489 I490 L495 Q496 Y534 H537 N538 L542	E488-V492 WeakPolarHBondContact O-CG2 3.38Å; E488-V492 PolarHBondContact O-N 3.22Å; R489-V492 PolarHBondContact O-N 3.33Å; I490-V492 PolarHBondContact O-N 2.84Å; V492-L495 PolarHBondContact O-N 3.35Å; V492-Q496 WeakPolarHBondContact O-CB 3.29Å; V492-Q496 PolarHBondContact O-N 3.44Å; V492-Y534 HydrophobicContact CG1-CE2 4.16Å; V492-H537 HydrophobicContact CG2-CB 3.84Å; V492-N538 HydrophobicContact CG1-CB 3.75Å; V492-N538 WeakPolarHBondContact CG1-OD1 3.45Å; V492-L542 HydrophobicContact CB-CD2 4.41Å; V492-L542 HydrophobicContact CG2-CB 4.42Å; V492-L542 HydrophobicContact CG2-CD2 4.24Å
493	E	96.9	Very high	95.9	Very high	124 Å²	124	39.1 Å²	39.1	58%	0.579	19%	0.19	S	C	*	.	H	α-helix	trans	-61	-43.3	176	-73.2	173.6	-175.3	0	0	111.8	R489 I490 Q496 S497	R489-E493 WeakPolarHBondContact O-CG 3.32Å; R489-E493 PolarHBondContact O-N 3.07Å; I490-E493 PolarHBondContact O-N 3.45Å; E493-Q496 WeakPolarHBondContact O-CB 3.16Å; E493-Q496 PolarHBondContact O-N 2.75Å; E493-S497 PolarHBondContact O-N 3.44Å
494	E	95.2	Very high	95.7	Very high	48 Å²	48	37.8 Å²	37.8	22%	0.224	19%	0.192	C	C	.	.	H	α-helix	trans	-67.4	-35.2	176.8	-71.8	177.7	138.7	0	0	112.3	I490 Y491 S497 I498 Y608 K611	I490-E494 HydrophobicContact CG2-CG 4.3Å; I490-E494 WeakPolarHBondContact O-CB 3.38Å; I490-E494 VanDerWaalsContact O-CG 3.23Å; I490-E494 WeakPolarHBondContact O-CG 3.31Å; I490-E494 PolarHBondContact O-N 2.88Å; Y491-E494 PolarHBondContact O-N 3.41Å; E494-S497 PolarHBondContact O-OG 3.36Å; E494-I498 WeakPolarHBondContact O-CG1 3.46Å; E494-I498 PolarHBondContact O-N 3.48Å; E494-Y608 HydrophobicContact CB-CD1 4.49Å; E494-Y608 HydrophobicContact CG-CE1 4.34Å; E494-K611 HydrophobicContact CB-CD 4.14Å; E494-K611 VanDerWaalsContact OE1-CE 3.25Å; E494-K611 WeakPolarHBondContact OE1-CE 3.28Å; E494-K611 IonicContact OE1-NZ 3.78Å; E494-K611 PolarHBondContact OE1-NZ 3.24Å; E494-K611 VanDerWaalsContact OE2-CD 3.25Å; E494-K611 WeakPolarHBondContact OE2-CD 3.4Å; E494-K611 WeakPolarHBondContact OE2-CE 3.39Å; E494-K611 IonicContact OE2-NZ 3.54Å; E494-K611 PolarHBondContact OE2-NZ 3.11Å
495	L	97.4	Very high	95.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68	-40.7	172.3	-71.5	-169.9	0	0	0	111.6	Y491 V492 S497 I498 M499 L530 I533 Y534 P612	Y491-L495 HydrophobicContact CD1-CD1 4.36Å; Y491-L495 HydrophobicContact CD2-CG 4.34Å; Y491-L495 HydrophobicContact CE1-CD1 3.71Å; Y491-L495 HydrophobicContact CE1-CG 4.37Å; Y491-L495 HydrophobicContact CE2-CD1 4.09Å; Y491-L495 HydrophobicContact CE2-CD2 4.02Å; Y491-L495 HydrophobicContact CE2-CG 3.97Å; Y491-L495 WeakPolarHBondContact O-CG 3.46Å; Y491-L495 PolarHBondContact O-N 2.8Å; V492-L495 PolarHBondContact O-N 3.35Å; L495-S497 VanDerWaalsContact C-N 3.34Å; L495-S497 PolarHBondContact O-N 3.18Å; L495-I498 HydrophobicContact CD2-CD1 4.21Å; L495-I498 WeakPolarHBondContact O-CB 3.49Å; L495-I498 PolarHBondContact O-N 2.63Å; L495-M499 WeakPolarHBondContact O-CG 3.25Å; L495-M499 PolarHBondContact O-N 3.07Å; L495-L530 HydrophobicContact CD2-CD1 3.66Å; L495-L530 HydrophobicContact CD2-CG 4.35Å; L495-I533 HydrophobicContact CD1-CG2 3.96Å; L495-Y534 HydrophobicContact CB-CD2 3.61Å; L495-Y534 HydrophobicContact CB-CE2 4.47Å; L495-Y534 HydrophobicContact CB-CG 4.3Å; L495-Y534 HydrophobicContact CD1-CD2 4.5Å; L495-P612 HydrophobicContact CD2-CG 4.26Å
496	Q	97.1	Very high	95.3	Very high	63 Å²	63	39.5 Å²	39.5	29%	0.294	20%	0.201	S	C	.	.	H	α-helix	trans	-60.1	-44.3	176.5	-175.3	172.2	1	0	0	111.2	V492 E493 I498 M499 E500 Y534	V492-Q496 WeakPolarHBondContact O-CB 3.29Å; V492-Q496 PolarHBondContact O-N 3.44Å; E493-Q496 WeakPolarHBondContact O-CB 3.16Å; E493-Q496 PolarHBondContact O-N 2.75Å; Q496-I498 PolarHBondContact O-N 2.81Å; Q496-M499 PolarHBondContact O-N 2.97Å; Q496-E500 HydrophobicContact CG-CG 4.16Å; Q496-E500 WeakPolarHBondContact CG-OE1 3.19Å; Q496-E500 PolarHBondContact NE2-OE1 2.73Å; Q496-E500 PolarHBondContact O-N 2.93Å; Q496-Y534 HydrophobicContact CB-CE2 3.61Å; Q496-Y534 HydrophobicContact CG-CE2 4.3Å; Q496-Y534 WeakPolarHBondContact CG-OH 3.45Å
497	S	96.3	Very high	94.8	Very high	23 Å²	23	41 Å²	41	16%	0.161	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-30.3	178.2	78.5	0	0	0	0	112.4	E493 E494 L495 G501 H601	E493-S497 PolarHBondContact O-N 3.44Å; E494-S497 PolarHBondContact O-OG 3.36Å; L495-S497 VanDerWaalsContact C-N 3.34Å; L495-S497 PolarHBondContact O-N 3.18Å; S497-G501 VanDerWaalsContact O-CA 3.25Å; S497-G501 WeakPolarHBondContact O-CA 3.44Å; S497-G501 PolarHBondContact O-N 3.24Å; S497-H601 PolarHBondContact OG-CE1 3.08Å; S497-H601 PolarHBondContact OG-NE2 2.61Å; S497-H601 VanDerWaalsContact OG-NE2 3.11Å
498	I	96.4	Very high	94.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-67.8	-45.9	171.3	-57.9	162.4	0	0	0	110.8	E494 L495 Q496 Y502 V503 F527 L530 L605 L609	E494-I498 WeakPolarHBondContact O-CG1 3.46Å; E494-I498 PolarHBondContact O-N 3.48Å; L495-I498 HydrophobicContact CD2-CD1 4.21Å; L495-I498 WeakPolarHBondContact O-CB 3.49Å; L495-I498 PolarHBondContact O-N 2.63Å; Q496-I498 PolarHBondContact O-N 2.81Å; I498-Y502 WeakPolarHBondContact O-CB 3.38Å; I498-Y502 PolarHBondContact O-N 3.26Å; I498-V503 PolarHBondContact O-N 3.12Å; I498-F527 HydrophobicContact CG2-CD1 4.1Å; I498-F527 HydrophobicContact CG2-CE1 3.89Å; I498-L530 HydrophobicContact CB-CD2 4.41Å; I498-L530 HydrophobicContact CD1-CD2 4.08Å; I498-L530 HydrophobicContact CG2-CD2 3.83Å; I498-L605 HydrophobicContact CG1-CD1 4.34Å; I498-L605 HydrophobicContact CG2-CD1 3.98Å; I498-L609 HydrophobicContact CG2-CD2 4.46Å
499	M	96	Very high	93.9	Very high	25 Å²	25	47.2 Å²	47.2	12%	0.123	25%	0.252	C	S	.	.	I	π-helix	trans	-64.1	-48	-178.3	-65.2	-56.7	97.1	0	0	111.8	L495 Q496 V503 A504 L530 P531 Y534	L495-M499 WeakPolarHBondContact O-CG 3.25Å; L495-M499 PolarHBondContact O-N 3.07Å; Q496-M499 PolarHBondContact O-N 2.97Å; M499-V503 HydrophobicContact CE-CG2 3.64Å; M499-V503 WeakPolarHBondContact O-CB 3.22Å; M499-V503 HydrophobicContact SD-CG2 4.16Å; M499-A504 WeakPolarHBondContact O-CB 3.44Å; M499-A504 PolarHBondContact O-N 3.17Å; M499-L530 HydrophobicContact CE-CB 4.11Å; M499-L530 HydrophobicContact CE-CD2 3.5Å; M499-L530 HydrophobicContact CE-CG 3.69Å; M499-P531 HydrophobicContact SD-CB 4.17Å; M499-P531 HydrophobicContact SD-CG 3.91Å; M499-Y534 HydrophobicContact CG-CD1 3.8Å; M499-Y534 HydrophobicContact CG-CE1 4.33Å; M499-Y534 HydrophobicContact CG-CG 3.97Å
500	E	94.1	Very high	93.2	Very high	117 Å²	117	50 Å²	50	55%	0.547	27%	0.268	S	S	.	.	I	π-helix	trans	-78.9	-35.3	-177.1	-65.5	179	175.2	0	0	112.2	Q496	Q496-E500 HydrophobicContact CG-CG 4.16Å; Q496-E500 WeakPolarHBondContact CG-OE1 3.19Å; Q496-E500 PolarHBondContact NE2-OE1 2.73Å; Q496-E500 PolarHBondContact O-N 2.93Å
501	G	92.4	Very high	92.8	Very high	5 Å²	5	47.1 Å²	47.1	5%	0.052	25%	0.254	C	S	.	.	I	π-helix	trans	-97.2	-16.6	-170.1	0	0	0	0	0	116.1	S497 E505 C595	S497-G501 VanDerWaalsContact O-CA 3.25Å; S497-G501 WeakPolarHBondContact O-CA 3.44Å; S497-G501 PolarHBondContact O-N 3.24Å; G501-E505 WeakPolarHBondContact O-CG 3.35Å; G501-C595 WeakPolarHBondContact O-CB 3.08Å
502	Y	93.9	Very high	92.2	Very high	1 Å²	1	49.8 Å²	49.8	0%	0.004	27%	0.273	C	S	.	.	I	π-helix	trans	-128	-47.1	177.9	-62.5	-93.5	0	0	0	112.2	I498 L506 F592 C595 Q596 L599 H601 L605	I498-Y502 WeakPolarHBondContact O-CB 3.38Å; I498-Y502 PolarHBondContact O-N 3.26Å; Y502-L506 PolarHBondContact O-N 3.34Å; Y502-F592 AromaticContact CD1-CD1 3.96Å; Y502-F592 HydrophobicContact CD1-CD1 3.96Å; Y502-F592 HydrophobicContact CD1-CE1 4.46Å; Y502-F592 HydrophobicContact CE1-CD1 4.33Å; Y502-C595 HydrophobicContact CD1-CB 3.58Å; Y502-C595 HydrophobicContact CE1-CB 3.62Å; Y502-C595 HydrophobicContact CG-CB 4.35Å; Y502-Q596 WeakPolarHBondContact OH-CA 3.29Å; Y502-L599 HydrophobicContact CD2-CD1 3.63Å; Y502-L599 HydrophobicContact CE2-CD1 3.18Å; Y502-H601 AromaticContact CE2-CE1 3.72Å; Y502-H601 AromaticContact CE2-ND1 3.5Å; Y502-H601 AromaticContact CZ-ND1 3.79Å; Y502-H601 PolarHBondContact OH-ND1 2.92Å; Y502-H601 VanDerWaalsContact OH-ND1 3.16Å; Y502-L605 HydrophobicContact CD1-CB 4.47Å; Y502-L605 HydrophobicContact CD1-CD1 4.13Å; Y502-L605 HydrophobicContact CD1-CD2 3.77Å; Y502-L605 HydrophobicContact CD1-CG 4.34Å; Y502-L605 HydrophobicContact CD2-CD1 3.88Å; Y502-L605 HydrophobicContact CE1-CB 4.04Å; Y502-L605 HydrophobicContact CE1-CD1 4.24Å; Y502-L605 HydrophobicContact CE1-CD2 4.19Å; Y502-L605 HydrophobicContact CE1-CG 4.38Å; Y502-L605 HydrophobicContact CE2-CD1 3.95Å; Y502-L605 HydrophobicContact CG-CD1 3.92Å; Y502-L605 HydrophobicContact CG-CD2 4.12Å
503	V	92.9	Very high	91.7	Very high	35 Å²	35	56.3 Å²	56.3	21%	0.212	30%	0.302	C	S	.	.	I	π-helix	trans	-71	-47.6	-178	-179.2	0	0	0	0	111.1	I498 M499 E505 L506 F527	I498-V503 PolarHBondContact O-N 3.12Å; M499-V503 HydrophobicContact CE-CG2 3.64Å; M499-V503 WeakPolarHBondContact O-CB 3.22Å; M499-V503 HydrophobicContact SD-CG2 4.16Å; V503-E505 VanDerWaalsContact C-N 3.3Å; V503-E505 PolarHBondContact O-N 3.38Å; V503-L506 WeakPolarHBondContact O-CB 3.46Å; V503-L506 PolarHBondContact O-N 2.83Å; V503-F527 HydrophobicContact CG2-CD1 3.61Å; V503-F527 HydrophobicContact CG2-CD2 3.91Å; V503-F527 HydrophobicContact CG2-CE1 3.66Å; V503-F527 HydrophobicContact CG2-CE2 3.96Å; V503-F527 HydrophobicContact CG2-CG 3.74Å; V503-F527 HydrophobicContact CG2-CZ 3.84Å
504	A	91.9	Very high	91.3	Very high	53 Å²	53	52.5 Å²	52.5	44%	0.438	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-65.7	-35.7	177.7	0	0	0	0	0	112.1	M499 L506 N507	M499-A504 WeakPolarHBondContact O-CB 3.44Å; M499-A504 PolarHBondContact O-N 3.17Å; A504-L506 PolarHBondContact O-N 3Å; A504-N507 PolarHBondContact O-N 3.46Å
505	E	91.8	Very high	91	Very high	30 Å²	30	52.3 Å²	52.3	14%	0.14	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-63.6	-22	178.2	-78.3	-67.8	-176.5	0	0	113.4	G501 V503 N507 N508 I511 F591 K598	G501-E505 WeakPolarHBondContact O-CG 3.35Å; V503-E505 VanDerWaalsContact C-N 3.3Å; V503-E505 PolarHBondContact O-N 3.38Å; E505-N507 PolarHBondContact O-N 2.89Å; E505-N508 WeakPolarHBondContact O-CB 3.49Å; E505-N508 PolarHBondContact O-N 3.17Å; E505-N508 VanDerWaalsContact O-N 3.12Å; E505-N508 VanDerWaalsContact OE2-CB 3.25Å; E505-N508 WeakPolarHBondContact OE2-CB 3.11Å; E505-N508 PolarHBondContact OE2-ND2 3.2Å; E505-I511 HydrophobicContact CB-CD1 4.02Å; E505-I511 HydrophobicContact CG-CD1 4.34Å; E505-I511 WeakPolarHBondContact OE2-CD1 3.48Å; E505-F591 HydrophobicContact CB-CZ 4.21Å; E505-K598 VanDerWaalsContact CD-NZ 3.35Å; E505-K598 IonicContact OE1-NZ 3.8Å; E505-K598 PolarHBondContact OE1-NZ 3.26Å; E505-K598 IonicContact OE2-NZ 3.54Å; E505-K598 PolarHBondContact OE2-NZ 2.52Å
506	L	88.7	Confident	90.7	Very high	17 Å²	17	53 Å²	53	9%	0.089	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-65	-23.5	170.6	-73.8	172.7	0	0	0	113.4	Y502 V503 A504 I515 L519 Q523 F527 F591	Y502-L506 PolarHBondContact O-N 3.34Å; V503-L506 WeakPolarHBondContact O-CB 3.46Å; V503-L506 PolarHBondContact O-N 2.83Å; A504-L506 PolarHBondContact O-N 3Å; L506-I515 HydrophobicContact CD2-CD1 3.99Å; L506-I515 HydrophobicContact CD2-CG1 4.18Å; L506-I515 HydrophobicContact CD2-CG2 4.41Å; L506-I515 WeakPolarHBondContact O-CD1 3.42Å; L506-L519 HydrophobicContact CD2-CD2 3.82Å; L506-Q523 HydrophobicContact CD1-CB 3.73Å; L506-F527 HydrophobicContact CD1-CE2 3.72Å; L506-F591 HydrophobicContact CD2-CE1 3.65Å; L506-F591 HydrophobicContact CD2-CE2 4.26Å; L506-F591 HydrophobicContact CD2-CZ 3.49Å; L506-F591 VanDerWaalsContact CD2-CZ 3.49Å; L506-F591 HydrophobicContact CG-CE1 4.24Å; L506-F591 HydrophobicContact CG-CZ 3.88Å
507	N	86.8	Confident	90.2	Very high	123 Å²	123	55.3 Å²	55.3	66%	0.658	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-99.1	3.4	176.3	-61.4	-66.6	0	0	0	112.2	A504 E505 S509	A504-N507 PolarHBondContact O-N 3.46Å; E505-N507 PolarHBondContact O-N 2.89Å; N507-S509 PolarHBondContact O-N 2.95Å
508	N	88.3	Confident	89.7	Confident	42 Å²	42	56.6 Å²	56.6	23%	0.225	32%	0.318	C	S	.	.			trans	-78.9	118.8	-179.1	-173.3	-10.8	0	0	0	111.1	E505 E510 I511 C512	E505-N508 WeakPolarHBondContact O-CB 3.49Å; E505-N508 PolarHBondContact O-N 3.17Å; E505-N508 VanDerWaalsContact O-N 3.12Å; E505-N508 VanDerWaalsContact OE2-CB 3.25Å; E505-N508 WeakPolarHBondContact OE2-CB 3.11Å; E505-N508 PolarHBondContact OE2-ND2 3.2Å; N508-E510 PolarHBondContact O-N 3.5Å; N508-E510 PolarHBondContact OD1-N 3.4Å; N508-I511 HydrophobicContact CB-CG1 4.09Å; N508-I511 PolarHBondContact O-N 2.93Å; N508-C512 WeakPolarHBondContact O-CB 3.46Å; N508-C512 PolarHBondContact O-N 3.32Å
509	S	85.4	Confident	89.3	Confident	107 Å²	107	56.8 Å²	56.8	75%	0.748	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.9	-178.8	-59.7	0	0	0	0	113.9	N507 C512	N507-S509 PolarHBondContact O-N 2.95Å; S509-C512 PolarHBondContact O-SG 2.91Å
510	E	83.8	Confident	88.7	Confident	148 Å²	148	61.9 Å²	61.9	69%	0.692	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-34.8	-178.7	-64.3	-172.9	161.2	0	0	113	N508 H513	N508-E510 PolarHBondContact O-N 3.5Å; N508-E510 PolarHBondContact OD1-N 3.4Å; E510-H513 PolarHBondContact O-CE1 3.45Å; E510-H513 PolarHBondContact O-ND1 2.81Å; E510-H513 VanDerWaalsContact O-ND1 3.11Å
511	I	88.1	Confident	88.2	Confident	16 Å²	16	63.8 Å²	63.8	8%	0.082	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	2.9	-175.7	64.4	165.4	0	0	0	113.6	E505 N508 H513 L514 F591	E505-I511 HydrophobicContact CB-CD1 4.02Å; E505-I511 HydrophobicContact CG-CD1 4.34Å; E505-I511 WeakPolarHBondContact OE2-CD1 3.48Å; N508-I511 HydrophobicContact CB-CG1 4.09Å; N508-I511 PolarHBondContact O-N 2.93Å; I511-H513 PolarHBondContact O-N 3.47Å; I511-H513 VanDerWaalsContact O-N 3.1Å; I511-L514 HydrophobicContact CB-CD1 4.29Å; I511-L514 HydrophobicContact CG2-CD1 4.45Å; I511-L514 WeakPolarHBondContact O-CB 3.36Å; I511-L514 PolarHBondContact O-N 3.28Å; I511-F591 HydrophobicContact CD1-CD2 3.96Å; I511-F591 HydrophobicContact CD1-CE2 3.6Å; I511-F591 HydrophobicContact CG1-CD2 4.37Å; I511-F591 HydrophobicContact CG1-CE2 4.07Å
512	C	85.1	Confident	88.1	Confident	63 Å²	63	67.1 Å²	67.1	43%	0.426	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-56.5	-29.4	179.2	68.8	0	0	0	0	113.2	N508 S509 L514 I515	N508-C512 WeakPolarHBondContact O-CB 3.46Å; N508-C512 PolarHBondContact O-N 3.32Å; S509-C512 PolarHBondContact O-SG 2.91Å; C512-L514 PolarHBondContact O-N 2.96Å; C512-I515 HydrophobicContact CB-CD1 4.22Å; C512-I515 WeakPolarHBondContact O-CB 3.38Å; C512-I515 WeakPolarHBondContact O-CG1 3.37Å; C512-I515 PolarHBondContact O-N 2.81Å
513	H	86.8	Confident	88	Confident	142 Å²	142	70.5 Å²	70.5	66%	0.657	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-68.7	-14.6	177.3	69.1	-84.6	0	0	0	113.7	E510 I511	E510-H513 PolarHBondContact O-CE1 3.45Å; E510-H513 PolarHBondContact O-ND1 2.81Å; E510-H513 VanDerWaalsContact O-ND1 3.11Å; I511-H513 PolarHBondContact O-N 3.47Å; I511-H513 VanDerWaalsContact O-N 3.1Å
514	L	89.6	Confident	87.9	Confident	44 Å²	44	74.5 Å²	74.5	23%	0.23	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-89.9	-10.6	176.3	-58	178.1	0	0	0	112.7	I511 C512 L590 F591 E594	I511-L514 HydrophobicContact CB-CD1 4.29Å; I511-L514 HydrophobicContact CG2-CD1 4.45Å; I511-L514 WeakPolarHBondContact O-CB 3.36Å; I511-L514 PolarHBondContact O-N 3.28Å; C512-L514 PolarHBondContact O-N 2.96Å; L514-L590 HydrophobicContact CD2-CB 4.38Å; L514-F591 HydrophobicContact CB-CB 3.99Å; L514-F591 WeakPolarHBondContact O-CB 3.24Å; L514-E594 HydrophobicContact CD1-CG 4.16Å
515	I	89.1	Confident	87.9	Confident	44 Å²	44	73.3 Å²	73.3	23%	0.226	39%	0.393	C	S	.	.	S	Bend	trans	-62.8	124	-177	-63.5	172.7	0	0	0	109.1	L506 C512 L519 F591	L506-I515 HydrophobicContact CD2-CD1 3.99Å; L506-I515 HydrophobicContact CD2-CG1 4.18Å; L506-I515 HydrophobicContact CD2-CG2 4.41Å; L506-I515 WeakPolarHBondContact O-CD1 3.42Å; C512-I515 HydrophobicContact CB-CD1 4.22Å; C512-I515 WeakPolarHBondContact O-CB 3.38Å; C512-I515 WeakPolarHBondContact O-CG1 3.37Å; C512-I515 PolarHBondContact O-N 2.81Å; I515-L519 HydrophobicContact CG2-CB 4.39Å; I515-L519 HydrophobicContact CG2-CD2 4.42Å; I515-F591 HydrophobicContact CD1-CE2 4.48Å; I515-F591 HydrophobicContact CG1-CD2 3.76Å; I515-F591 HydrophobicContact CG1-CE2 3.86Å; I515-F591 HydrophobicContact CG1-CG 4.32Å
516	P	89.6	Confident	88.1	Confident	14 Å²	14	71.9 Å²	71.9	9%	0.091	39%	0.386	C	S	.	.			trans	-68.7	139.9	-178.7	25.5	-31.8	0	0	0	110.7	T518 L519 C586	P516-T518 PolarHBondContact O-N 3.07Å; P516-L519 HydrophobicContact CG-CB 3.86Å; P516-L519 HydrophobicContact CG-CD2 4.33Å; P516-L519 WeakPolarHBondContact O-CB 3.29Å; P516-L519 PolarHBondContact O-N 3.07Å; P516-C586 HydrophobicContact CB-CB 4.09Å; P516-C586 HydrophobicContact CG-CB 3.71Å
517	P	86.5	Confident	88.4	Confident	112 Å²	112	71.3 Å²	71.3	73%	0.727	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.8	179.8	-25.9	33.4	0	0	0	113.9	L519 E520	P517-L519 PolarHBondContact O-N 2.95Å; P517-E520 PolarHBondContact O-N 2.68Å
518	T	85.8	Confident	88.8	Confident	51 Å²	51	66.3 Å²	66.3	31%	0.313	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.6	177.1	41.6	0	0	0	0	113.7	P516 K522 Q585 C586	P516-T518 PolarHBondContact O-N 3.07Å; T518-K522 WeakPolarHBondContact O-CD 3.47Å; T518-K522 PolarHBondContact O-NZ 3.49Å; T518-Q585 HydrophobicContact CG2-CB 4.46Å; T518-C586 WeakPolarHBondContact OG1-CB 3.34Å
519	L	88.8	Confident	89.2	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.021	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-15.6	180	-173.1	59.9	0	0	0	113.2	L506 I515 P516 P517 N521 K522 L526 V582 F592	L506-L519 HydrophobicContact CD2-CD2 3.82Å; I515-L519 HydrophobicContact CG2-CB 4.39Å; I515-L519 HydrophobicContact CG2-CD2 4.42Å; P516-L519 HydrophobicContact CG-CB 3.86Å; P516-L519 HydrophobicContact CG-CD2 4.33Å; P516-L519 WeakPolarHBondContact O-CB 3.29Å; P516-L519 PolarHBondContact O-N 3.07Å; P517-L519 PolarHBondContact O-N 2.95Å; L519-N521 PolarHBondContact O-N 2.98Å; L519-K522 PolarHBondContact O-N 2.91Å; L519-L526 HydrophobicContact CD1-CB 4.07Å; L519-L526 HydrophobicContact CD1-CD2 3.63Å; L519-L526 HydrophobicContact CD1-CG 4.46Å; L519-L526 HydrophobicContact CD2-CD2 4.45Å; L519-V582 HydrophobicContact CD1-CG1 4.02Å; L519-F592 HydrophobicContact CD2-CE1 4.44Å; L519-F592 HydrophobicContact CD2-CE2 4.04Å; L519-F592 HydrophobicContact CD2-CZ 3.53Å
520	E	84.1	Confident	89.7	Confident	132 Å²	132	59.4 Å²	59.4	62%	0.617	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	126.6	178.1	-161.6	174.8	-163.1	0	0	110.4	P517 K522	P517-E520 PolarHBondContact O-N 2.68Å; E520-K522 PolarHBondContact O-N 3.29Å
521	N	83.9	Confident	90.3	Very high	156 Å²	156	55 Å²	55	83%	0.834	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	17.5	-173.5	-53.7	-59.1	0	0	0	115.9	L519	L519-N521 PolarHBondContact O-N 2.98Å
522	K	90	Very high	90.7	Very high	75 Å²	75	58.5 Å²	58.5	33%	0.326	32%	0.315	S	S	.	.			trans	-120.6	13.7	177.5	-62	-169.1	-160.6	145.9	0	114.4	T518 L519 E520 D524 V525 L526 V582	T518-K522 WeakPolarHBondContact O-CD 3.47Å; T518-K522 PolarHBondContact O-NZ 3.49Å; L519-K522 PolarHBondContact O-N 2.91Å; E520-K522 PolarHBondContact O-N 3.29Å; K522-D524 VanDerWaalsContact C-N 3.28Å; K522-D524 PolarHBondContact O-N 2.94Å; K522-V525 HydrophobicContact CB-CB 4.47Å; K522-V525 WeakPolarHBondContact O-CB 3.37Å; K522-V525 PolarHBondContact O-N 3.42Å; K522-L526 PolarHBondContact O-N 3.41Å; K522-V582 HydrophobicContact CD-CG2 4.13Å
523	Q	90.3	Very high	91.3	Very high	72 Å²	72	55.5 Å²	55.5	34%	0.336	30%	0.295	S	S	.	.	H	α-helix	trans	-55.7	-43.2	176.5	67.3	-171.9	0.2	0	0	112.1	L506 V525 L526 F527	L506-Q523 HydrophobicContact CD1-CB 3.73Å; Q523-V525 PolarHBondContact O-N 2.95Å; Q523-L526 PolarHBondContact O-N 3Å; Q523-F527 WeakPolarHBondContact O-CD2 3.5Å; Q523-F527 PolarHBondContact O-N 2.96Å
524	D	91	Very high	91.9	Very high	119 Å²	119	50.1 Å²	50.1	64%	0.636	27%	0.269	S	S	*	.	H	α-helix	trans	-69.2	-17.3	179.9	-54.3	-39.2	0	0	0	112.5	K522 G528	K522-D524 VanDerWaalsContact C-N 3.28Å; K522-D524 PolarHBondContact O-N 2.94Å; D524-G528 WeakPolarHBondContact O-CA 3.45Å; D524-G528 PolarHBondContact O-N 2.91Å; D524-G528 VanDerWaalsContact O-N 3.1Å
525	V	92.9	Very high	92.2	Very high	28 Å²	28	51.2 Å²	51.2	17%	0.17	28%	0.275	C	S	.	.	H	α-helix	trans	-87.9	-41.2	173.8	-176.7	0	0	0	0	110.5	K522 Q523 N575 R578 S579 V582	K522-V525 HydrophobicContact CB-CB 4.47Å; K522-V525 WeakPolarHBondContact O-CB 3.37Å; K522-V525 PolarHBondContact O-N 3.42Å; Q523-V525 PolarHBondContact O-N 2.95Å; V525-N575 PolarHBondContact O-ND2 2.77Å; V525-R578 HydrophobicContact CG1-CB 3.83Å; V525-S579 WeakPolarHBondContact O-CA 3.3Å; V525-S579 WeakPolarHBondContact O-CB 3.47Å; V525-V582 HydrophobicContact CB-CG2 4.48Å; V525-V582 HydrophobicContact CG1-CG2 3.94Å
526	L	94.9	Very high	92.6	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-48.1	178.7	-179.3	63.3	0	0	0	111.3	L519 K522 Q523 S579 V582 W583 F592 L609	L519-L526 HydrophobicContact CD1-CB 4.07Å; L519-L526 HydrophobicContact CD1-CD2 3.63Å; L519-L526 HydrophobicContact CD1-CG 4.46Å; L519-L526 HydrophobicContact CD2-CD2 4.45Å; K522-L526 PolarHBondContact O-N 3.41Å; Q523-L526 PolarHBondContact O-N 3Å; L526-S579 VanDerWaalsContact O-CB 3.3Å; L526-S579 WeakPolarHBondContact O-CB 3.26Å; L526-S579 PolarHBondContact O-OG 3.38Å; L526-V582 HydrophobicContact CB-CG1 4.25Å; L526-V582 HydrophobicContact CD1-CB 4.43Å; L526-V582 HydrophobicContact CD1-CG1 4.29Å; L526-W583 HydrophobicContact CD1-CB 4.13Å; L526-W583 HydrophobicContact CD1-CE3 4.29Å; L526-F592 HydrophobicContact CD2-CE1 4.14Å; L526-F592 HydrophobicContact CD2-CZ 3.6Å; L526-L609 HydrophobicContact CD1-CD1 4.18Å; L526-L609 HydrophobicContact CG-CD1 4.47Å
527	F	96.1	Very high	93	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.026	26%	0.264	C	S	.	.	S	Bend	trans	-91.5	-14.5	-178.9	-60.2	-75.9	0	0	0	112.9	I498 V503 L506 Q523 N529 L530 L605 L609	I498-F527 HydrophobicContact CG2-CD1 4.1Å; I498-F527 HydrophobicContact CG2-CE1 3.89Å; V503-F527 HydrophobicContact CG2-CD1 3.61Å; V503-F527 HydrophobicContact CG2-CD2 3.91Å; V503-F527 HydrophobicContact CG2-CE1 3.66Å; V503-F527 HydrophobicContact CG2-CE2 3.96Å; V503-F527 HydrophobicContact CG2-CG 3.74Å; V503-F527 HydrophobicContact CG2-CZ 3.84Å; L506-F527 HydrophobicContact CD1-CE2 3.72Å; Q523-F527 WeakPolarHBondContact O-CD2 3.5Å; Q523-F527 PolarHBondContact O-N 2.96Å; F527-N529 PolarHBondContact O-N 3.34Å; F527-L530 HydrophobicContact CD1-CD2 4.48Å; F527-L530 WeakPolarHBondContact O-CB 3.36Å; F527-L530 PolarHBondContact O-N 3.47Å; F527-L605 HydrophobicContact CE1-CD2 4.05Å; F527-L605 HydrophobicContact CZ-CD2 4.22Å; F527-L609 HydrophobicContact CD1-CD2 3.99Å; F527-L609 HydrophobicContact CE1-CD2 4.41Å
528	G	95	Very high	93.5	Very high	17 Å²	17	46.8 Å²	46.8	18%	0.175	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-136.9	-178.6	0	0	0	0	0	111.5	D524 L530 N575	D524-G528 WeakPolarHBondContact O-CA 3.45Å; D524-G528 PolarHBondContact O-N 2.91Å; D524-G528 VanDerWaalsContact O-N 3.1Å; G528-L530 VanDerWaalsContact C-N 3.34Å; G528-N575 VanDerWaalsContact CA-ND2 3.26Å; G528-N575 WeakPolarHBondContact CA-ND2 3.43Å
529	N	96.2	Very high	93.9	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.027	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	29.8	171.4	67.9	-44.7	0	0	0	113.5	F527 P531 E532 I533 V568 K571 Y572	F527-N529 PolarHBondContact O-N 3.34Å; N529-P531 VanDerWaalsContact C-N 3.28Å; N529-E532 HydrophobicContact CB-CB 4.27Å; N529-E532 HydrophobicContact CB-CG 4.18Å; N529-E532 WeakPolarHBondContact CB-OE2 3.36Å; N529-E532 PolarHBondContact ND2-OE2 3.2Å; N529-E532 WeakPolarHBondContact O-CB 3.48Å; N529-E532 PolarHBondContact O-N 3.23Å; N529-I533 PolarHBondContact O-N 3.49Å; N529-V568 PolarHBondContact ND2-O 2.99Å; N529-K571 HydrophobicContact CB-CD 3.96Å; N529-K571 HydrophobicContact CB-CG 4.32Å; N529-Y572 WeakPolarHBondContact OD1-CA 3.35Å; N529-Y572 WeakPolarHBondContact OD1-CB 3.22Å; N529-Y572 PolarHBondContact OD1-N 3.42Å
530	L	97.1	Very high	94.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-53.1	-37.9	174.9	-165.5	61.1	0	0	0	113.9	L495 I498 M499 F527 G528 E532 I533 Y534 Y572 L609 P612	L495-L530 HydrophobicContact CD2-CD1 3.66Å; L495-L530 HydrophobicContact CD2-CG 4.35Å; I498-L530 HydrophobicContact CB-CD2 4.41Å; I498-L530 HydrophobicContact CD1-CD2 4.08Å; I498-L530 HydrophobicContact CG2-CD2 3.83Å; M499-L530 HydrophobicContact CE-CB 4.11Å; M499-L530 HydrophobicContact CE-CD2 3.5Å; M499-L530 HydrophobicContact CE-CG 3.69Å; F527-L530 HydrophobicContact CD1-CD2 4.48Å; F527-L530 WeakPolarHBondContact O-CB 3.36Å; F527-L530 PolarHBondContact O-N 3.47Å; G528-L530 VanDerWaalsContact C-N 3.34Å; L530-E532 VanDerWaalsContact C-N 3.29Å; L530-E532 PolarHBondContact O-N 3.4Å; L530-I533 PolarHBondContact O-N 2.49Å; L530-Y534 PolarHBondContact O-N 2.84Å; L530-Y572 HydrophobicContact CB-CD2 4.5Å; L530-Y572 HydrophobicContact CB-CE2 3.93Å; L530-Y572 HydrophobicContact CD1-CE2 3.88Å; L530-Y572 HydrophobicContact CG-CE2 4.44Å; L530-L609 HydrophobicContact CD2-CD2 3.77Å; L530-P612 HydrophobicContact CD1-CG 3.55Å
531	P	95.9	Very high	94.8	Very high	56 Å²	56	45.6 Å²	45.6	36%	0.364	24%	0.235	S	C	.	.	H	α-helix	trans	-60.5	-36.2	175.1	-24.6	35.2	0	0	0	113.3	M499 N529 Y534 D535	M499-P531 HydrophobicContact SD-CB 4.17Å; M499-P531 HydrophobicContact SD-CG 3.91Å; N529-P531 VanDerWaalsContact C-N 3.28Å; P531-Y534 PolarHBondContact O-N 2.94Å; P531-D535 WeakPolarHBondContact O-CB 3.23Å; P531-D535 PolarHBondContact O-N 2.84Å
532	E	96.9	Very high	95.4	Very high	89 Å²	89	39.2 Å²	39.2	42%	0.416	20%	0.201	S	C	.	.	H	α-helix	trans	-66	-40.9	176.6	-63.1	169.9	-164.7	0	0	110.8	N529 L530 F536 K571	N529-E532 HydrophobicContact CB-CB 4.27Å; N529-E532 HydrophobicContact CB-CG 4.18Å; N529-E532 WeakPolarHBondContact CB-OE2 3.36Å; N529-E532 PolarHBondContact ND2-OE2 3.2Å; N529-E532 WeakPolarHBondContact O-CB 3.48Å; N529-E532 PolarHBondContact O-N 3.23Å; L530-E532 VanDerWaalsContact C-N 3.29Å; L530-E532 PolarHBondContact O-N 3.4Å; E532-F536 WeakPolarHBondContact O-CB 3.43Å; E532-F536 PolarHBondContact O-N 2.87Å; E532-F536 VanDerWaalsContact O-N 3.14Å; E532-K571 VanDerWaalsContact CD-NZ 3.29Å; E532-K571 IonicContact OE1-NZ 2.72Å; E532-K571 PolarHBondContact OE1-NZ 2.9Å; E532-K571 IonicContact OE2-NZ 3.49Å; E532-K571 PolarHBondContact OE2-NZ 2.98Å
533	I	97.4	Very high	95.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-51.6	175.4	-64.4	-178.8	0	0	0	110.1	Y491 L495 N529 L530 D535 F536 H537 V568 Y569 Y572 P612	Y491-I533 WeakPolarHBondContact OH-CG2 3.39Å; L495-I533 HydrophobicContact CD1-CG2 3.96Å; N529-I533 PolarHBondContact O-N 3.49Å; L530-I533 PolarHBondContact O-N 2.49Å; I533-D535 VanDerWaalsContact C-N 3.33Å; I533-D535 PolarHBondContact O-N 2.84Å; I533-F536 PolarHBondContact O-N 3.47Å; I533-H537 PolarHBondContact O-CD2 2.72Å; I533-H537 PolarHBondContact O-N 3.46Å; I533-V568 HydrophobicContact CG1-CB 4.36Å; I533-V568 HydrophobicContact CG1-CG2 3.82Å; I533-Y569 HydrophobicContact CD1-CD1 4.08Å; I533-Y569 HydrophobicContact CD1-CE1 4.13Å; I533-Y569 HydrophobicContact CD1-CG 4.49Å; I533-Y569 HydrophobicContact CG2-CE1 4.34Å; I533-Y569 HydrophobicContact CG2-CE2 4.48Å; I533-Y572 HydrophobicContact CD1-CD1 4.34Å; I533-Y572 HydrophobicContact CD1-CD2 3.9Å; I533-Y572 HydrophobicContact CD1-CG 3.69Å; I533-P612 HydrophobicContact CD1-CB 4.17Å
534	Y	97.9	Very high	95.7	Very high	28 Å²	28	38.4 Å²	38.4	11%	0.11	20%	0.2	C	C	.	.	H	α-helix	trans	-55.9	-48.7	179.8	170.1	-112.3	0	0	0	111.7	V492 L495 Q496 M499 L530 P531 F536 H537 N538	V492-Y534 HydrophobicContact CG1-CE2 4.16Å; L495-Y534 HydrophobicContact CB-CD2 3.61Å; L495-Y534 HydrophobicContact CB-CE2 4.47Å; L495-Y534 HydrophobicContact CB-CG 4.3Å; L495-Y534 HydrophobicContact CD1-CD2 4.5Å; Q496-Y534 HydrophobicContact CB-CE2 3.61Å; Q496-Y534 HydrophobicContact CG-CE2 4.3Å; Q496-Y534 WeakPolarHBondContact CG-OH 3.45Å; M499-Y534 HydrophobicContact CG-CD1 3.8Å; M499-Y534 HydrophobicContact CG-CE1 4.33Å; M499-Y534 HydrophobicContact CG-CG 3.97Å; L530-Y534 PolarHBondContact O-N 2.84Å; P531-Y534 PolarHBondContact O-N 2.94Å; Y534-F536 PolarHBondContact O-N 2.99Å; Y534-H537 PolarHBondContact O-N 2.92Å; Y534-N538 HydrophobicContact CD2-CB 4.21Å; Y534-N538 HydrophobicContact CE2-CB 3.82Å; Y534-N538 WeakPolarHBondContact O-CB 3.36Å; Y534-N538 PolarHBondContact O-N 3.41Å; Y534-N538 PolarHBondContact OH-ND2 3.5Å; Y534-N538 VanDerWaalsContact OH-ND2 3.16Å
535	D	97.1	Very high	95.8	Very high	67 Å²	67	32.8 Å²	32.8	36%	0.358	17%	0.17	S	C	.	.	H	α-helix	trans	-61.1	-42.5	-179.6	-95.5	1.2	0	0	0	112.5	P531 I533 K539	P531-D535 WeakPolarHBondContact O-CB 3.23Å; P531-D535 PolarHBondContact O-N 2.84Å; I533-D535 VanDerWaalsContact C-N 3.33Å; I533-D535 PolarHBondContact O-N 2.84Å; D535-K539 HydrophobicContact CB-CD 4.43Å; D535-K539 WeakPolarHBondContact O-CB 3.47Å; D535-K539 WeakPolarHBondContact O-CG 3.48Å; D535-K539 PolarHBondContact O-N 2.7Å; D535-K539 VanDerWaalsContact OD1-CE 3.24Å; D535-K539 WeakPolarHBondContact OD1-CE 3.43Å; D535-K539 IonicContact OD1-NZ 2.84Å; D535-K539 PolarHBondContact OD1-NZ 3.02Å; D535-K539 IonicContact OD2-NZ 3.22Å; D535-K539 PolarHBondContact OD2-NZ 3.37Å
536	F	97.1	Very high	95.8	Very high	18 Å²	18	34.7 Å²	34.7	8%	0.079	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-51	176.4	165.8	-113.8	0	0	0	111.6	E532 I533 Y534 T540 F541 R562 E565 L566	E532-F536 WeakPolarHBondContact O-CB 3.43Å; E532-F536 PolarHBondContact O-N 2.87Å; E532-F536 VanDerWaalsContact O-N 3.14Å; I533-F536 PolarHBondContact O-N 3.47Å; Y534-F536 PolarHBondContact O-N 2.99Å; F536-T540 HydrophobicContact CE2-CG2 4.39Å; F536-T540 WeakPolarHBondContact O-CA 3.46Å; F536-T540 VanDerWaalsContact O-CB 3.29Å; F536-T540 WeakPolarHBondContact O-CB 3.24Å; F536-T540 PolarHBondContact O-N 3.01Å; F536-F541 HydrophobicContact CD1-CB 4.49Å; F536-F541 HydrophobicContact CE1-CB 3.91Å; F536-F541 HydrophobicContact CE1-CD2 4.38Å; F536-F541 HydrophobicContact CE1-CG 4.04Å; F536-F541 HydrophobicContact CE2-CB 4.15Å; F536-F541 HydrophobicContact CZ-CB 3.72Å; F536-F541 AromaticContact CZ-CD2 3.78Å; F536-F541 HydrophobicContact CZ-CD2 3.78Å; F536-F541 AromaticContact CZ-CG 3.83Å; F536-F541 HydrophobicContact CZ-CG 3.83Å; F536-F541 PolarHBondContact O-N 2.89Å; F536-R562 HydrophobicContact CE2-CB 4.26Å; F536-R562 HydrophobicContact CE2-CG 4.34Å; F536-R562 HydrophobicContact CZ-CB 3.98Å; F536-R562 HydrophobicContact CZ-CG 4.38Å; F536-E565 HydrophobicContact CD2-CB 3.78Å; F536-E565 HydrophobicContact CD2-CG 4.31Å; F536-E565 HydrophobicContact CE2-CB 3.52Å; F536-E565 HydrophobicContact CE2-CG 4.17Å; F536-E565 HydrophobicContact CG-CB 4.43Å; F536-E565 HydrophobicContact CZ-CB 3.99Å; F536-L566 HydrophobicContact CE1-CD2 3.86Å; F536-L566 HydrophobicContact CE1-CG 4.27Å; F536-L566 HydrophobicContact CZ-CD2 4.4Å; F536-L566 HydrophobicContact CZ-CG 4.38Å
537	H	97.8	Very high	95.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	I	π-helix	trans	-66.1	-45.5	-176.7	-78.7	-81.7	0	0	0	112.1	E488 Y491 V492 I533 Y534 F541 L542 Y569 Y619	E488-H537 IonicContact OE1-CE1 2.84Å; E488-H537 IonicContact OE1-CG 2.81Å; E488-H537 IonicContact OE1-ND1 3.71Å; E488-H537 PolarHBondContact OE1-ND1 2.94Å; Y491-H537 AromaticContact CE1-CG 3.9Å; V492-H537 HydrophobicContact CG2-CB 3.84Å; I533-H537 PolarHBondContact O-CD2 2.72Å; I533-H537 PolarHBondContact O-N 3.46Å; Y534-H537 PolarHBondContact O-N 2.92Å; H537-F541 AromaticContact CE1-CD1 3.66Å; H537-F541 AromaticContact ND1-CD1 3.57Å; H537-F541 PolarHBondContact O-N 3.46Å; H537-L542 VanDerWaalsContact O-CB 3.3Å; H537-L542 WeakPolarHBondContact O-CB 3.34Å; H537-L542 PolarHBondContact O-N 3.45Å; H537-Y569 PolarHBondContact CE1-OH 3.42Å; H537-Y569 AromaticContact NE2-CE2 3.36Å; H537-Y569 WeakPolarHBondContact NE2-CE2 3.26Å; H537-Y569 AromaticContact NE2-CZ 3.52Å; H537-Y569 PolarHBondContact NE2-OH 2.99Å; H537-Y619 PolarHBondContact CE1-OH 3.01Å
538	N	96.9	Very high	95.2	Very high	59 Å²	59	39.1 Å²	39.1	32%	0.316	20%	0.201	S	C	.	.	I	π-helix	trans	-69.7	-45.5	-178.2	-175	39.9	0	0	0	113	V492 Y534	V492-N538 HydrophobicContact CG1-CB 3.75Å; V492-N538 WeakPolarHBondContact CG1-OD1 3.45Å; Y534-N538 HydrophobicContact CD2-CB 4.21Å; Y534-N538 HydrophobicContact CE2-CB 3.82Å; Y534-N538 WeakPolarHBondContact O-CB 3.36Å; Y534-N538 PolarHBondContact O-N 3.41Å; Y534-N538 PolarHBondContact OH-ND2 3.5Å; Y534-N538 VanDerWaalsContact OH-ND2 3.16Å
539	K	94.9	Very high	94.8	Very high	124 Å²	124	41.4 Å²	41.4	54%	0.539	22%	0.218	S	C	.	.	I	π-helix	trans	-90.4	-20.1	-171.5	-58.9	173.5	-178.6	163.9	0	113.5	D535	D535-K539 HydrophobicContact CB-CD 4.43Å; D535-K539 WeakPolarHBondContact O-CB 3.47Å; D535-K539 WeakPolarHBondContact O-CG 3.48Å; D535-K539 PolarHBondContact O-N 2.7Å; D535-K539 VanDerWaalsContact OD1-CE 3.24Å; D535-K539 WeakPolarHBondContact OD1-CE 3.43Å; D535-K539 IonicContact OD1-NZ 2.84Å; D535-K539 PolarHBondContact OD1-NZ 3.02Å; D535-K539 IonicContact OD2-NZ 3.22Å; D535-K539 PolarHBondContact OD2-NZ 3.37Å
540	T	94.9	Very high	94.2	Very high	38 Å²	38	46.7 Å²	46.7	23%	0.233	25%	0.251	C	S	.	.	I	π-helix	trans	-128.3	-62.7	-171.1	-49.1	0	0	0	0	112.3	F536 M543 E544 R562	F536-T540 HydrophobicContact CE2-CG2 4.39Å; F536-T540 WeakPolarHBondContact O-CA 3.46Å; F536-T540 VanDerWaalsContact O-CB 3.29Å; F536-T540 WeakPolarHBondContact O-CB 3.24Å; F536-T540 PolarHBondContact O-N 3.01Å; T540-M543 PolarHBondContact O-N 3.43Å; T540-E544 PolarHBondContact O-N 3.38Å; T540-R562 VanDerWaalsContact CG2-CZ 3.43Å
541	F	96.1	Very high	93.7	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	I	π-helix	trans	-70.4	-44.3	-164	-163	-124.1	0	0	0	113.2	F536 H537 M543 E544 L545 F559 R562 Y619	F536-F541 HydrophobicContact CD1-CB 4.49Å; F536-F541 HydrophobicContact CE1-CB 3.91Å; F536-F541 HydrophobicContact CE1-CD2 4.38Å; F536-F541 HydrophobicContact CE1-CG 4.04Å; F536-F541 HydrophobicContact CE2-CB 4.15Å; F536-F541 HydrophobicContact CZ-CB 3.72Å; F536-F541 AromaticContact CZ-CD2 3.78Å; F536-F541 HydrophobicContact CZ-CD2 3.78Å; F536-F541 AromaticContact CZ-CG 3.83Å; F536-F541 HydrophobicContact CZ-CG 3.83Å; F536-F541 PolarHBondContact O-N 2.89Å; H537-F541 AromaticContact CE1-CD1 3.66Å; H537-F541 AromaticContact ND1-CD1 3.57Å; H537-F541 PolarHBondContact O-N 3.46Å; F541-M543 VanDerWaalsContact C-N 3.34Å; F541-M543 PolarHBondContact O-N 3.28Å; F541-E544 PolarHBondContact O-N 2.92Å; F541-L545 HydrophobicContact CD1-CD1 3.71Å; F541-L545 HydrophobicContact CD1-CG 4.32Å; F541-L545 HydrophobicContact CE1-CD1 3.51Å; F541-L545 HydrophobicContact CE1-CD2 4.48Å; F541-L545 HydrophobicContact CE1-CG 4.12Å; F541-L545 HydrophobicContact CG-CD1 4.42Å; F541-L545 HydrophobicContact CZ-CD1 4.06Å; F541-L545 HydrophobicContact CZ-CD2 4.21Å; F541-L545 HydrophobicContact CZ-CG 4.22Å; F541-L545 WeakPolarHBondContact O-CG 3.06Å; F541-L545 PolarHBondContact O-N 2.87Å; F541-F559 HydrophobicContact CE1-CE1 4.33Å; F541-F559 HydrophobicContact CE1-CZ 4.43Å; F541-F559 AromaticContact CZ-CD1 3.98Å; F541-F559 HydrophobicContact CZ-CD1 3.98Å; F541-F559 AromaticContact CZ-CE1 3.61Å; F541-F559 HydrophobicContact CZ-CE1 3.61Å; F541-F559 HydrophobicContact CZ-CE2 4.36Å; F541-F559 AromaticContact CZ-CZ 3.82Å; F541-F559 HydrophobicContact CZ-CZ 3.82Å; F541-R562 HydrophobicContact CD2-CB 4.4Å; F541-R562 HydrophobicContact CD2-CG 4.2Å; F541-R562 HydrophobicContact CE2-CB 4.42Å; F541-R562 HydrophobicContact CE2-CG 4.48Å; F541-Y619 AromaticContact CE1-CE1 3.93Å; F541-Y619 HydrophobicContact CE1-CE1 3.93Å; F541-Y619 HydrophobicContact CE1-CE2 4.36Å; F541-Y619 AromaticContact CE1-CZ 3.69Å
542	L	96.3	Very high	93.2	Very high	22 Å²	22	48.8 Å²	48.8	12%	0.115	26%	0.261	C	S	.	.	H	α-helix	trans	-58.4	-45.5	178.1	174.1	59.6	0	0	0	111.7	E488 R489 V492 H537 E544 L545 E546	E488-L542 HydrophobicContact CB-CD1 4Å; E488-L542 HydrophobicContact CG-CB 4.09Å; E488-L542 HydrophobicContact CG-CD1 3.7Å; E488-L542 HydrophobicContact CG-CG 4.45Å; R489-L542 HydrophobicContact CG-CD1 3.64Å; R489-L542 HydrophobicContact CG-CD2 4.13Å; V492-L542 HydrophobicContact CB-CD2 4.41Å; V492-L542 HydrophobicContact CG2-CB 4.42Å; V492-L542 HydrophobicContact CG2-CD2 4.24Å; H537-L542 VanDerWaalsContact O-CB 3.3Å; H537-L542 WeakPolarHBondContact O-CB 3.34Å; H537-L542 PolarHBondContact O-N 3.45Å; L542-E544 VanDerWaalsContact C-N 3.31Å; L542-E544 PolarHBondContact O-N 2.86Å; L542-L545 PolarHBondContact O-N 3.05Å; L542-E546 HydrophobicContact CD1-CG 4.13Å; L542-E546 WeakPolarHBondContact O-CG 3.47Å; L542-E546 PolarHBondContact O-N 3.19Å
543	M	93.8	Very high	92.6	Very high	105 Å²	105	48.6 Å²	48.6	52%	0.517	26%	0.26	S	S	.	.	H	α-helix	trans	-61.8	-38.1	178.4	-175.9	-176	61.6	0	0	112.1	T540 F541 N547	T540-M543 PolarHBondContact O-N 3.43Å; F541-M543 VanDerWaalsContact C-N 3.34Å; F541-M543 PolarHBondContact O-N 3.28Å; M543-N547 PolarHBondContact O-N 2.83Å; M543-N547 PolarHBondContact O-ND2 2.66Å; M543-N547 VanDerWaalsContact O-ND2 3.12Å
544	E	93.1	Very high	92.3	Very high	26 Å²	26	52.4 Å²	52.4	12%	0.121	28%	0.28	C	S	.	.	H	α-helix	trans	-71.8	-36.7	176.4	-69.2	-169.2	154.8	0	0	112.6	T540 F541 L542 N547 C548 K561 R562	T540-E544 PolarHBondContact O-N 3.38Å; F541-E544 PolarHBondContact O-N 2.92Å; L542-E544 VanDerWaalsContact C-N 3.31Å; L542-E544 PolarHBondContact O-N 2.86Å; E544-N547 WeakPolarHBondContact O-CB 3.09Å; E544-N547 PolarHBondContact O-N 3.08Å; E544-C548 PolarHBondContact O-N 3.48Å; E544-C548 PolarHBondContact O-SG 2.9Å; E544-K561 IonicContact OE1-NZ 3.99Å; E544-K561 PolarHBondContact OE1-NZ 3.31Å; E544-R562 VanDerWaalsContact CD-NH2 3.33Å; E544-R562 IonicContact OE1-CZ 3.91Å; E544-R562 IonicContact OE1-NE 3.39Å; E544-R562 PolarHBondContact OE1-NE 3.31Å; E544-R562 IonicContact OE1-NH2 3.24Å; E544-R562 PolarHBondContact OE1-NH2 2.97Å; E544-R562 WeakPolarHBondContact OE2-CG 3.44Å; E544-R562 IonicContact OE2-CZ 2.89Å; E544-R562 IonicContact OE2-NE 2.68Å; E544-R562 PolarHBondContact OE2-NE 3.49Å; E544-R562 IonicContact OE2-NH2 2.72Å; E544-R562 PolarHBondContact OE2-NH2 3.46Å
545	L	93.8	Very high	92	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.1	-40.4	172.8	-72.4	176.7	0	0	0	111.9	L484 I485 E488 F541 L542 N547 C548 I555 F559	L484-L545 HydrophobicContact CD2-CD2 3.89Å; L484-L545 HydrophobicContact CG-CD1 4.46Å; L484-L545 HydrophobicContact CG-CD2 4.43Å; I485-L545 VanDerWaalsContact CD1-O 3.29Å; I485-L545 WeakPolarHBondContact CD1-O 3.42Å; I485-L545 HydrophobicContact CG1-CB 4.2Å; E488-L545 HydrophobicContact CB-CD1 4.11Å; E488-L545 HydrophobicContact CG-CD1 3.81Å; F541-L545 HydrophobicContact CD1-CD1 3.71Å; F541-L545 HydrophobicContact CD1-CG 4.32Å; F541-L545 HydrophobicContact CE1-CD1 3.51Å; F541-L545 HydrophobicContact CE1-CD2 4.48Å; F541-L545 HydrophobicContact CE1-CG 4.12Å; F541-L545 HydrophobicContact CG-CD1 4.42Å; F541-L545 HydrophobicContact CZ-CD1 4.06Å; F541-L545 HydrophobicContact CZ-CD2 4.21Å; F541-L545 HydrophobicContact CZ-CG 4.22Å; F541-L545 WeakPolarHBondContact O-CG 3.06Å; F541-L545 PolarHBondContact O-N 2.87Å; L542-L545 PolarHBondContact O-N 3.05Å; L545-N547 VanDerWaalsContact C-N 3.27Å; L545-N547 PolarHBondContact O-N 3.29Å; L545-C548 WeakPolarHBondContact O-CA 3.4Å; L545-C548 VanDerWaalsContact O-CB 3.26Å; L545-C548 WeakPolarHBondContact O-CB 3.39Å; L545-C548 PolarHBondContact O-N 2.85Å; L545-I555 HydrophobicContact CD2-CD1 3.55Å; L545-F559 HydrophobicContact CD2-CE2 4.15Å
546	E	93.1	Very high	91.8	Very high	68 Å²	68	48 Å²	48	32%	0.318	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-34.7	175.6	-74.4	-179.1	149.1	0	0	112.3	I485 R489 L542 C548 A549	I485-E546 HydrophobicContact CG2-CG 3.81Å; R489-E546 IonicContact CZ-OE1 3.47Å; R489-E546 VanDerWaalsContact CZ-OE1 3.24Å; R489-E546 IonicContact NE-OE1 3.48Å; R489-E546 PolarHBondContact NE-OE1 3.18Å; R489-E546 IonicContact NH2-OE1 2.75Å; R489-E546 PolarHBondContact NH2-OE1 3.39Å; L542-E546 HydrophobicContact CD1-CG 4.13Å; L542-E546 WeakPolarHBondContact O-CG 3.47Å; L542-E546 PolarHBondContact O-N 3.19Å; E546-C548 PolarHBondContact O-N 3.23Å; E546-A549 WeakPolarHBondContact O-CB 3.38Å; E546-A549 PolarHBondContact O-N 3.4Å; E546-A549 VanDerWaalsContact O-N 3.1Å
547	N	89.6	Confident	91.5	Very high	96 Å²	96	50.2 Å²	50.2	51%	0.513	27%	0.273	S	S	.	.	H	α-helix	trans	-65.2	-26.8	173.4	-69.6	-37.2	0	0	0	112.7	M543 E544 L545 A549 V550 N551	M543-N547 PolarHBondContact O-N 2.83Å; M543-N547 PolarHBondContact O-ND2 2.66Å; M543-N547 VanDerWaalsContact O-ND2 3.12Å; E544-N547 WeakPolarHBondContact O-CB 3.09Å; E544-N547 PolarHBondContact O-N 3.08Å; L545-N547 VanDerWaalsContact C-N 3.27Å; L545-N547 PolarHBondContact O-N 3.29Å; N547-A549 PolarHBondContact O-N 2.76Å; N547-V550 PolarHBondContact O-N 2.96Å; N547-N551 PolarHBondContact O-N 3.25Å
548	C	88.6	Confident	91.4	Very high	4 Å²	4	50.8 Å²	50.8	3%	0.027	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-12.6	175.3	-57.9	0	0	0	0	112.6	E544 L545 E546 V550 N551 P552 I555	E544-C548 PolarHBondContact O-N 3.48Å; E544-C548 PolarHBondContact O-SG 2.9Å; L545-C548 WeakPolarHBondContact O-CA 3.4Å; L545-C548 VanDerWaalsContact O-CB 3.26Å; L545-C548 WeakPolarHBondContact O-CB 3.39Å; L545-C548 PolarHBondContact O-N 2.85Å; E546-C548 PolarHBondContact O-N 3.23Å; C548-V550 PolarHBondContact O-N 3.49Å; C548-N551 CarbonylContact O-C 3.34Å; C548-P552 VanDerWaalsContact O-CA 3.31Å; C548-P552 WeakPolarHBondContact O-CA 3.29Å; C548-I555 HydrophobicContact CB-CB 4.45Å; C548-I555 HydrophobicContact CB-CD1 3.9Å
549	A	86.2	Confident	91.3	Very high	64 Å²	64	48 Å²	48	53%	0.529	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-30.3	170.8	0	0	0	0	0	112.2	I485 E546 N547	I485-A549 HydrophobicContact CD1-CB 3.87Å; E546-A549 WeakPolarHBondContact O-CB 3.38Å; E546-A549 PolarHBondContact O-N 3.4Å; E546-A549 VanDerWaalsContact O-N 3.1Å; N547-A549 PolarHBondContact O-N 2.76Å
550	V	84.7	Confident	91.2	Very high	117 Å²	117	43.6 Å²	43.6	71%	0.709	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-38.5	178.3	-176.5	0	0	0	0	111.2	N547 C548	N547-V550 PolarHBondContact O-N 2.96Å; C548-V550 PolarHBondContact O-N 3.49Å
551	N	85.8	Confident	91.2	Very high	69 Å²	69	47.4 Å²	47.4	37%	0.369	26%	0.257	S	S	.	.			trans	-125.3	81.5	-179.2	-59.7	-45.8	0	0	0	110.5	N547 C548 E553 L554	N547-N551 PolarHBondContact O-N 3.25Å; C548-N551 CarbonylContact O-C 3.34Å; N551-E553 VanDerWaalsContact C-OE2 3.32Å; N551-E553 WeakPolarHBondContact CB-OE1 3.47Å; N551-E553 PolarHBondContact O-N 3.46Å; N551-L554 HydrophobicContact CB-CD1 3.71Å; N551-L554 HydrophobicContact CB-CG 3.95Å; N551-L554 PolarHBondContact O-N 2.71Å; N551-L554 VanDerWaalsContact O-N 3.15Å
552	P	85.9	Confident	91.1	Very high	31 Å²	31	49.3 Å²	49.3	20%	0.201	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-58.1	-28.3	-175	-28.5	38.1	0	0	0	115.2	F477 I481 C548 L554 I555	F477-P552 HydrophobicContact CD1-CB 4.25Å; F477-P552 HydrophobicContact CE1-CB 3.78Å; I481-P552 HydrophobicContact CD1-CB 3.63Å; C548-P552 VanDerWaalsContact O-CA 3.31Å; C548-P552 WeakPolarHBondContact O-CA 3.29Å; P552-L554 PolarHBondContact O-N 3.39Å; P552-I555 WeakPolarHBondContact O-CB 3.39Å; P552-I555 VanDerWaalsContact O-CG2 3.25Å; P552-I555 WeakPolarHBondContact O-CG2 3.33Å; P552-I555 PolarHBondContact O-N 3.34Å
553	E	84.4	Confident	90.8	Very high	85 Å²	85	52.5 Å²	52.5	40%	0.397	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-65.8	-21.9	179	66.6	-77.3	179	0	0	113.4	N551 I555	N551-E553 VanDerWaalsContact C-OE2 3.32Å; N551-E553 WeakPolarHBondContact CB-OE1 3.47Å; N551-E553 PolarHBondContact O-N 3.46Å; E553-I555 VanDerWaalsContact C-N 3.27Å; E553-I555 PolarHBondContact O-N 3.36Å
554	L	89.5	Confident	90.6	Very high	80 Å²	80	53.1 Å²	53.1	42%	0.419	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-81	-5	-179.4	-61.4	-177.7	0	0	0	113.5	N551 P552 G556 T557 C558	N551-L554 HydrophobicContact CB-CD1 3.71Å; N551-L554 HydrophobicContact CB-CG 3.95Å; N551-L554 PolarHBondContact O-N 2.71Å; N551-L554 VanDerWaalsContact O-N 3.15Å; P552-L554 PolarHBondContact O-N 3.39Å; L554-G556 VanDerWaalsContact C-N 3.31Å; L554-G556 PolarHBondContact O-N 2.93Å; L554-T557 WeakPolarHBondContact O-CB 3.47Å; L554-T557 PolarHBondContact O-N 3.01Å; L554-T557 VanDerWaalsContact O-N 3.13Å; L554-C558 PolarHBondContact O-N 3.45Å
555	I	92.7	Very high	90.6	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-59.5	-41.3	-175	-167.1	63.1	0	0	0	111.9	F477 L484 L545 C548 P552 E553 C558 F559 M626 L638	F477-I555 HydrophobicContact CZ-CG2 4.36Å; L484-I555 HydrophobicContact CD2-CD1 3.85Å; L484-I555 HydrophobicContact CD2-CG1 4.39Å; L545-I555 HydrophobicContact CD2-CD1 3.55Å; C548-I555 HydrophobicContact CB-CB 4.45Å; C548-I555 HydrophobicContact CB-CD1 3.9Å; P552-I555 WeakPolarHBondContact O-CB 3.39Å; P552-I555 VanDerWaalsContact O-CG2 3.25Å; P552-I555 WeakPolarHBondContact O-CG2 3.33Å; P552-I555 PolarHBondContact O-N 3.34Å; E553-I555 VanDerWaalsContact C-N 3.27Å; E553-I555 PolarHBondContact O-N 3.36Å; I555-C558 VanDerWaalsContact O-CB 3.32Å; I555-C558 WeakPolarHBondContact O-CB 3.33Å; I555-C558 PolarHBondContact O-N 3.2Å; I555-F559 HydrophobicContact CD1-CE2 4.13Å; I555-F559 HydrophobicContact CG1-CE2 4.29Å; I555-F559 WeakPolarHBondContact O-CD2 3.46Å; I555-F559 PolarHBondContact O-N 3.24Å; I555-M626 HydrophobicContact CG1-SD 4.23Å; I555-M626 HydrophobicContact CG2-SD 4.33Å; I555-L638 HydrophobicContact CG2-CD1 4.03Å
556	G	91.9	Very high	90.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-47.5	175.6	0	0	0	0	0	111.8	L554 C558 F559 L560	L554-G556 VanDerWaalsContact C-N 3.31Å; L554-G556 PolarHBondContact O-N 2.93Å; G556-C558 VanDerWaalsContact C-N 3.28Å; G556-C558 PolarHBondContact O-N 3.05Å; G556-F559 PolarHBondContact O-N 2.99Å; G556-L560 WeakPolarHBondContact O-CG 3.25Å; G556-L560 PolarHBondContact O-N 3.02Å; G556-L560 VanDerWaalsContact O-N 3.1Å
557	T	92.4	Very high	90.4	Very high	65 Å²	65	54.9 Å²	54.9	40%	0.399	29%	0.287	S	S	.	.	H	α-helix	trans	-61.1	-35.8	176.8	-46.6	0	0	0	0	112.6	L554 F559 L560 K561	L554-T557 WeakPolarHBondContact O-CB 3.47Å; L554-T557 PolarHBondContact O-N 3.01Å; L554-T557 VanDerWaalsContact O-N 3.13Å; T557-F559 PolarHBondContact O-N 3Å; T557-L560 PolarHBondContact O-N 2.92Å; T557-K561 WeakPolarHBondContact O-CB 3.37Å; T557-K561 PolarHBondContact O-N 3.02Å
558	C	94	Very high	90.6	Very high	11 Å²	11	51.9 Å²	51.9	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-57.7	-46.4	176.6	-174.5	0	0	0	0	111.6	L554 I555 G556	L554-C558 PolarHBondContact O-N 3.45Å; I555-C558 VanDerWaalsContact O-CB 3.32Å; I555-C558 WeakPolarHBondContact O-CB 3.33Å; I555-C558 PolarHBondContact O-N 3.2Å; G556-C558 VanDerWaalsContact C-N 3.28Å; G556-C558 PolarHBondContact O-N 3.05Å
559	F	95.3	Very high	90.9	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.009	27%	0.271	C	S	.	.	H	α-helix	trans	-69	-43.5	176.9	-81.1	-89.3	0	0	0	112.2	L484 F541 L545 I555 G556 T557 K561 R562 K563 L566 Y619 L623 A641 M645	L484-F559 HydrophobicContact CD2-CE2 4.07Å; L484-F559 HydrophobicContact CD2-CZ 4.21Å; F541-F559 HydrophobicContact CE1-CE1 4.33Å; F541-F559 HydrophobicContact CE1-CZ 4.43Å; F541-F559 AromaticContact CZ-CD1 3.98Å; F541-F559 HydrophobicContact CZ-CD1 3.98Å; F541-F559 AromaticContact CZ-CE1 3.61Å; F541-F559 HydrophobicContact CZ-CE1 3.61Å; F541-F559 HydrophobicContact CZ-CE2 4.36Å; F541-F559 AromaticContact CZ-CZ 3.82Å; F541-F559 HydrophobicContact CZ-CZ 3.82Å; L545-F559 HydrophobicContact CD2-CE2 4.15Å; I555-F559 HydrophobicContact CD1-CE2 4.13Å; I555-F559 HydrophobicContact CG1-CE2 4.29Å; I555-F559 WeakPolarHBondContact O-CD2 3.46Å; I555-F559 PolarHBondContact O-N 3.24Å; G556-F559 PolarHBondContact O-N 2.99Å; T557-F559 PolarHBondContact O-N 3Å; F559-K561 VanDerWaalsContact C-N 3.31Å; F559-K561 PolarHBondContact O-N 3.02Å; F559-R562 PolarHBondContact O-N 3.27Å; F559-R562 VanDerWaalsContact O-N 3.14Å; F559-K563 PolarHBondContact O-N 3.34Å; F559-L566 HydrophobicContact CD1-CD1 4.37Å; F559-Y619 AromaticContact CE1-CD1 3.69Å; F559-Y619 HydrophobicContact CE1-CD1 3.69Å; F559-Y619 HydrophobicContact CE1-CD2 4.19Å; F559-Y619 HydrophobicContact CE1-CE1 4.3Å; F559-Y619 AromaticContact CE1-CG 3.65Å; F559-Y619 HydrophobicContact CE1-CG 3.65Å; F559-Y619 AromaticContact CZ-CD1 3.67Å; F559-Y619 HydrophobicContact CZ-CD1 3.67Å; F559-Y619 HydrophobicContact CZ-CE1 4.23Å; F559-Y619 HydrophobicContact CZ-CG 4.1Å; F559-L623 HydrophobicContact CD1-CD1 4.32Å; F559-L623 HydrophobicContact CD2-CD1 4.35Å; F559-L623 HydrophobicContact CD2-CD2 3.91Å; F559-L623 HydrophobicContact CE1-CD1 4.45Å; F559-L623 HydrophobicContact CE2-CD2 3.84Å; F559-L623 HydrophobicContact CE2-CG 4.47Å; F559-L623 HydrophobicContact CG-CD1 4.27Å; F559-L623 HydrophobicContact CZ-CD2 4.45Å; F559-A641 HydrophobicContact CB-CB 3.92Å; F559-M645 HydrophobicContact CD1-CG 4.03Å; F559-M645 HydrophobicContact CD1-SD 3.72Å; F559-M645 HydrophobicContact CE1-CG 4.47Å; F559-M645 HydrophobicContact CE1-SD 4.25Å
560	L	94.1	Very high	91.1	Very high	31 Å²	31	51 Å²	51	16%	0.162	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-37.5	-179	-68.1	173.9	0	0	0	112.8	G556 T557 R562 E637 E640 A641 T644	G556-L560 WeakPolarHBondContact O-CG 3.25Å; G556-L560 PolarHBondContact O-N 3.02Å; G556-L560 VanDerWaalsContact O-N 3.1Å; T557-L560 PolarHBondContact O-N 2.92Å; L560-R562 PolarHBondContact O-N 3.03Å; L560-E637 HydrophobicContact CD1-CB 4.31Å; L560-E640 HydrophobicContact CD1-CB 4.2Å; L560-E640 HydrophobicContact CD1-CG 4.31Å; L560-E640 HydrophobicContact CD2-CB 4.22Å; L560-E640 HydrophobicContact CD2-CG 3.83Å; L560-A641 HydrophobicContact CD2-CB 4.41Å; L560-A641 HydrophobicContact CG-CB 4.22Å; L560-T644 WeakPolarHBondContact CD2-OG1 3.49Å
561	K	94.2	Very high	91.5	Very high	117 Å²	117	50.2 Å²	50.2	51%	0.509	24%	0.244	S	C	.	.	H	α-helix	trans	-64.9	-25.3	177.7	-174.8	-176.5	174.9	-164.8	0	112.9	E544 T557 F559	E544-K561 IonicContact OE1-NZ 3.99Å; E544-K561 PolarHBondContact OE1-NZ 3.31Å; T557-K561 WeakPolarHBondContact O-CB 3.37Å; T557-K561 PolarHBondContact O-N 3.02Å; F559-K561 VanDerWaalsContact C-N 3.31Å; F559-K561 PolarHBondContact O-N 3.02Å
562	R	92.8	Very high	91.9	Very high	41 Å²	41	47.1 Å²	47.1	16%	0.155	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	13.9	-172.5	-57.8	-55.3	-178.5	178.4	2.4	114.1	F536 T540 F541 E544 F559 L560 E564 E565 L566	F536-R562 HydrophobicContact CE2-CB 4.26Å; F536-R562 HydrophobicContact CE2-CG 4.34Å; F536-R562 HydrophobicContact CZ-CB 3.98Å; F536-R562 HydrophobicContact CZ-CG 4.38Å; T540-R562 VanDerWaalsContact CG2-CZ 3.43Å; F541-R562 HydrophobicContact CD2-CB 4.4Å; F541-R562 HydrophobicContact CD2-CG 4.2Å; F541-R562 HydrophobicContact CE2-CB 4.42Å; F541-R562 HydrophobicContact CE2-CG 4.48Å; E544-R562 VanDerWaalsContact CD-NH2 3.33Å; E544-R562 IonicContact OE1-CZ 3.91Å; E544-R562 IonicContact OE1-NE 3.39Å; E544-R562 PolarHBondContact OE1-NE 3.31Å; E544-R562 IonicContact OE1-NH2 3.24Å; E544-R562 PolarHBondContact OE1-NH2 2.97Å; E544-R562 WeakPolarHBondContact OE2-CG 3.44Å; E544-R562 IonicContact OE2-CZ 2.89Å; E544-R562 IonicContact OE2-NE 2.68Å; E544-R562 PolarHBondContact OE2-NE 3.49Å; E544-R562 IonicContact OE2-NH2 2.72Å; E544-R562 PolarHBondContact OE2-NH2 3.46Å; F559-R562 PolarHBondContact O-N 3.27Å; F559-R562 VanDerWaalsContact O-N 3.14Å; L560-R562 PolarHBondContact O-N 3.03Å; R562-E564 VanDerWaalsContact C-N 3.27Å; R562-E564 PolarHBondContact O-N 3.41Å; R562-E565 WeakPolarHBondContact CA-OE2 3.35Å; R562-E565 WeakPolarHBondContact CD-OE1 3.21Å; R562-E565 IonicContact CZ-OE1 2.93Å; R562-E565 IonicContact NH1-OE1 2.85Å; R562-E565 PolarHBondContact NH1-OE1 3.4Å; R562-E565 PolarHBondContact O-N 3.13Å; R562-L566 WeakPolarHBondContact O-CG 3.42Å; R562-L566 PolarHBondContact O-N 2.92Å
563	K	91.2	Very high	92.3	Very high	88 Å²	88	45.7 Å²	45.7	38%	0.383	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-34.7	-176	71.2	-178.8	-175.6	-176.7	0	112.7	F559 T644	F559-K563 PolarHBondContact O-N 3.34Å; K563-T644 HydrophobicContact CB-CG2 3.69Å; K563-T644 HydrophobicContact CD-CG2 4.37Å
564	E	90.4	Very high	92.5	Very high	118 Å²	118	44.6 Å²	44.6	55%	0.551	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-43.2	177	-69.2	82.4	-173.1	0	0	111.1	R562 L566 Q567	R562-E564 VanDerWaalsContact C-N 3.27Å; R562-E564 PolarHBondContact O-N 3.41Å; E564-L566 VanDerWaalsContact C-N 3.31Å; E564-L566 PolarHBondContact O-N 3.37Å; E564-Q567 VanDerWaalsContact O-CB 3.24Å; E564-Q567 WeakPolarHBondContact O-CB 3.39Å; E564-Q567 WeakPolarHBondContact O-CG 3.47Å; E564-Q567 PolarHBondContact O-N 2.89Å; E564-Q567 VanDerWaalsContact O-N 3.13Å
565	E	92.8	Very high	92.6	Very high	61 Å²	61	41.9 Å²	41.9	29%	0.285	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-66.2	-33.4	177.6	-64.1	95.5	135.5	0	0	111.9	F536 R562 Q567 V568	F536-E565 HydrophobicContact CD2-CB 3.78Å; F536-E565 HydrophobicContact CD2-CG 4.31Å; F536-E565 HydrophobicContact CE2-CB 3.52Å; F536-E565 HydrophobicContact CE2-CG 4.17Å; F536-E565 HydrophobicContact CG-CB 4.43Å; F536-E565 HydrophobicContact CZ-CB 3.99Å; R562-E565 WeakPolarHBondContact CA-OE2 3.35Å; R562-E565 WeakPolarHBondContact CD-OE1 3.21Å; R562-E565 IonicContact CZ-OE1 2.93Å; R562-E565 IonicContact NH1-OE1 2.85Å; R562-E565 PolarHBondContact NH1-OE1 3.4Å; R562-E565 PolarHBondContact O-N 3.13Å; E565-Q567 PolarHBondContact O-N 2.95Å; E565-V568 VanDerWaalsContact O-CG1 3.31Å; E565-V568 WeakPolarHBondContact O-CG1 3.15Å; E565-V568 WeakPolarHBondContact O-CG2 3.23Å; E565-V568 PolarHBondContact O-N 2.91Å
566	L	93.1	Very high	92.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-65.8	-12.6	174.2	-74	165.6	0	0	0	113.5	F536 F559 R562 E564 V568 Y569 I616 Y619 M645 I648	F536-L566 HydrophobicContact CE1-CD2 3.86Å; F536-L566 HydrophobicContact CE1-CG 4.27Å; F536-L566 HydrophobicContact CZ-CD2 4.4Å; F536-L566 HydrophobicContact CZ-CG 4.38Å; F559-L566 HydrophobicContact CD1-CD1 4.37Å; R562-L566 WeakPolarHBondContact O-CG 3.42Å; R562-L566 PolarHBondContact O-N 2.92Å; E564-L566 VanDerWaalsContact C-N 3.31Å; E564-L566 PolarHBondContact O-N 3.37Å; L566-V568 PolarHBondContact O-N 2.93Å; L566-Y569 HydrophobicContact CD2-CD2 4.37Å; L566-Y569 HydrophobicContact CD2-CE2 4.07Å; L566-Y569 WeakPolarHBondContact O-CD2 3.18Å; L566-Y569 PolarHBondContact O-N 3.3Å; L566-I616 HydrophobicContact CD2-CD1 4.33Å; L566-Y619 HydrophobicContact CD2-CE2 4.43Å; L566-M645 HydrophobicContact CD1-CE 4.32Å; L566-M645 HydrophobicContact CD1-SD 3.76Å; L566-I648 HydrophobicContact CB-CD1 3.98Å; L566-I648 HydrophobicContact CD1-CD1 4.4Å
567	Q	89.4	Confident	92.5	Very high	71 Å²	71	45.5 Å²	45.5	33%	0.332	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-67.8	-13.8	173.9	-62	-64.8	-27.3	0	0	113.3	E564 E565 Y569 E570	E564-Q567 VanDerWaalsContact O-CB 3.24Å; E564-Q567 WeakPolarHBondContact O-CB 3.39Å; E564-Q567 WeakPolarHBondContact O-CG 3.47Å; E564-Q567 PolarHBondContact O-N 2.89Å; E564-Q567 VanDerWaalsContact O-N 3.13Å; E565-Q567 PolarHBondContact O-N 2.95Å; Q567-Y569 PolarHBondContact O-N 2.98Å; Q567-E570 WeakPolarHBondContact O-CB 3.39Å; Q567-E570 PolarHBondContact O-N 3.48Å
568	V	93.3	Very high	92.4	Very high	32 Å²	32	49.8 Å²	49.8	19%	0.194	23%	0.23	C	C	.	.	H	α-helix	trans	-55.6	-25.6	173.1	-64.8	0	0	0	0	112.7	N529 I533 E565 L566 E570 K571 Y572	N529-V568 PolarHBondContact ND2-O 2.99Å; I533-V568 HydrophobicContact CG1-CB 4.36Å; I533-V568 HydrophobicContact CG1-CG2 3.82Å; E565-V568 VanDerWaalsContact O-CG1 3.31Å; E565-V568 WeakPolarHBondContact O-CG1 3.15Å; E565-V568 WeakPolarHBondContact O-CG2 3.23Å; E565-V568 PolarHBondContact O-N 2.91Å; L566-V568 PolarHBondContact O-N 2.93Å; V568-E570 VanDerWaalsContact C-N 3.31Å; V568-E570 PolarHBondContact O-N 3.25Å; V568-K571 PolarHBondContact O-N 3.36Å; V568-Y572 PolarHBondContact O-N 3.05Å
569	Y	94.8	Very high	92.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.6	-28.1	176.2	-79	-85.5	0	0	0	113.2	Y491 I533 H537 L566 Q567 Y572 C573 P612 I616	Y491-Y569 PolarHBondContact OH-OH 3.42Å; I533-Y569 HydrophobicContact CD1-CD1 4.08Å; I533-Y569 HydrophobicContact CD1-CE1 4.13Å; I533-Y569 HydrophobicContact CD1-CG 4.49Å; I533-Y569 HydrophobicContact CG2-CE1 4.34Å; I533-Y569 HydrophobicContact CG2-CE2 4.48Å; H537-Y569 PolarHBondContact CE1-OH 3.42Å; H537-Y569 AromaticContact NE2-CE2 3.36Å; H537-Y569 WeakPolarHBondContact NE2-CE2 3.26Å; H537-Y569 AromaticContact NE2-CZ 3.52Å; H537-Y569 PolarHBondContact NE2-OH 2.99Å; L566-Y569 HydrophobicContact CD2-CD2 4.37Å; L566-Y569 HydrophobicContact CD2-CE2 4.07Å; L566-Y569 WeakPolarHBondContact O-CD2 3.18Å; L566-Y569 PolarHBondContact O-N 3.3Å; Q567-Y569 PolarHBondContact O-N 2.98Å; Y569-Y572 PolarHBondContact O-N 3.2Å; Y569-C573 VanDerWaalsContact O-CB 3.29Å; Y569-C573 WeakPolarHBondContact O-CB 3.4Å; Y569-C573 PolarHBondContact O-N 3.37Å; Y569-C573 PolarHBondContact O-SG 3.03Å; Y569-P612 HydrophobicContact CD1-CB 4.23Å; Y569-P612 HydrophobicContact CE1-CB 3.71Å; Y569-P612 WeakPolarHBondContact CE1-O 3.35Å; Y569-I616 HydrophobicContact CD1-CB 3.76Å; Y569-I616 HydrophobicContact CD1-CG1 4.31Å; Y569-I616 HydrophobicContact CD1-CG2 4.14Å; Y569-I616 HydrophobicContact CD2-CB 4.48Å; Y569-I616 HydrophobicContact CD2-CD1 3.76Å; Y569-I616 HydrophobicContact CD2-CG1 4.34Å; Y569-I616 HydrophobicContact CE1-CB 4.02Å; Y569-I616 HydrophobicContact CE2-CD1 4.13Å; Y569-I616 HydrophobicContact CG-CB 3.99Å; Y569-I616 HydrophobicContact CG-CD1 3.95Å; Y569-I616 HydrophobicContact CG-CG1 4.01Å
570	E	91.3	Very high	92.2	Very high	50 Å²	50	52.4 Å²	52.4	23%	0.234	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-54.4	174.7	-169.8	-173.3	171.5	0	0	110	Q567 V568 Y572 C573 Q574 V652 S655	Q567-E570 WeakPolarHBondContact O-CB 3.39Å; Q567-E570 PolarHBondContact O-N 3.48Å; V568-E570 VanDerWaalsContact C-N 3.31Å; V568-E570 PolarHBondContact O-N 3.25Å; E570-Y572 VanDerWaalsContact C-N 3.26Å; E570-Y572 PolarHBondContact O-N 2.98Å; E570-C573 PolarHBondContact O-N 3.12Å; E570-Q574 HydrophobicContact CG-CG 4.44Å; E570-Q574 WeakPolarHBondContact O-CB 3.43Å; E570-Q574 WeakPolarHBondContact O-CG 3.39Å; E570-Q574 PolarHBondContact O-N 3.48Å; E570-Q574 PolarHBondContact OE1-NE2 3.01Å; E570-V652 HydrophobicContact CB-CG2 4.13Å; E570-S655 WeakPolarHBondContact OE1-CB 3.48Å; E570-S655 PolarHBondContact OE1-OG 2.97Å
571	K	92.1	Very high	92	Very high	101 Å²	101	54.1 Å²	54.1	44%	0.439	25%	0.253	S	S	.	.	H	α-helix	trans	-56.1	-40	177.2	-179.2	179.5	171	-163.7	0	112.2	N529 E532 V568 N575	N529-K571 HydrophobicContact CB-CD 3.96Å; N529-K571 HydrophobicContact CB-CG 4.32Å; E532-K571 VanDerWaalsContact CD-NZ 3.29Å; E532-K571 IonicContact OE1-NZ 2.72Å; E532-K571 PolarHBondContact OE1-NZ 2.9Å; E532-K571 IonicContact OE2-NZ 3.49Å; E532-K571 PolarHBondContact OE2-NZ 2.98Å; V568-K571 PolarHBondContact O-N 3.36Å; K571-N575 PolarHBondContact O-N 3.34Å
572	Y	95.1	Very high	91.9	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-50.6	179.3	-172.5	-97.7	0	0	0	112.1	N529 L530 I533 V568 Y569 E570 Q574 N575 K576 L609 P612 V613	N529-Y572 WeakPolarHBondContact OD1-CA 3.35Å; N529-Y572 WeakPolarHBondContact OD1-CB 3.22Å; N529-Y572 PolarHBondContact OD1-N 3.42Å; L530-Y572 HydrophobicContact CB-CD2 4.5Å; L530-Y572 HydrophobicContact CB-CE2 3.93Å; L530-Y572 HydrophobicContact CD1-CE2 3.88Å; L530-Y572 HydrophobicContact CG-CE2 4.44Å; I533-Y572 HydrophobicContact CD1-CD1 4.34Å; I533-Y572 HydrophobicContact CD1-CD2 3.9Å; I533-Y572 HydrophobicContact CD1-CG 3.69Å; V568-Y572 PolarHBondContact O-N 3.05Å; Y569-Y572 PolarHBondContact O-N 3.2Å; E570-Y572 VanDerWaalsContact C-N 3.26Å; E570-Y572 PolarHBondContact O-N 2.98Å; Y572-Q574 VanDerWaalsContact C-N 3.33Å; Y572-Q574 PolarHBondContact O-N 2.79Å; Y572-N575 PolarHBondContact O-N 3.13Å; Y572-N575 VanDerWaalsContact O-N 3.09Å; Y572-K576 HydrophobicContact CE1-CD 4.45Å; Y572-K576 PolarHBondContact O-N 3.27Å; Y572-L609 PolarHBondContact OH-O 3.38Å; Y572-P612 HydrophobicContact CD1-CB 3.83Å; Y572-P612 HydrophobicContact CD1-CG 4.35Å; Y572-P612 HydrophobicContact CE1-CB 3.63Å; Y572-P612 HydrophobicContact CE1-CG 3.73Å; Y572-V613 HydrophobicContact CD1-CG2 4.43Å; Y572-V613 HydrophobicContact CE1-CG2 4.25Å
573	C	93.1	Very high	91.9	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.014	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-36.6	-179.1	-71	0	0	0	0	112.1	Y569 E570 N575 K576 P577 V652 M656	Y569-C573 VanDerWaalsContact O-CB 3.29Å; Y569-C573 WeakPolarHBondContact O-CB 3.4Å; Y569-C573 PolarHBondContact O-N 3.37Å; Y569-C573 PolarHBondContact O-SG 3.03Å; E570-C573 PolarHBondContact O-N 3.12Å; C573-N575 VanDerWaalsContact C-N 3.31Å; C573-N575 PolarHBondContact O-N 2.92Å; C573-K576 WeakPolarHBondContact O-CB 3.26Å; C573-K576 PolarHBondContact O-N 3.47Å; C573-P577 WeakPolarHBondContact O-CD 3.48Å; C573-V652 HydrophobicContact CB-CG1 3.43Å; C573-V652 VanDerWaalsContact CB-CG1 3.43Å; C573-M656 HydrophobicContact CB-CG 4.33Å; C573-M656 HydrophobicContact CB-SD 3.74Å
574	Q	89.3	Confident	92	Very high	61 Å²	61	52.9 Å²	52.9	29%	0.285	24%	0.243	S	C	.	.	H	α-helix	trans	-61.7	-37.7	171.5	-69.2	175.7	-7.3	0	0	112.6	E570 Y572 P577 S655 I659	E570-Q574 HydrophobicContact CG-CG 4.44Å; E570-Q574 WeakPolarHBondContact O-CB 3.43Å; E570-Q574 WeakPolarHBondContact O-CG 3.39Å; E570-Q574 PolarHBondContact O-N 3.48Å; E570-Q574 PolarHBondContact OE1-NE2 3.01Å; Y572-Q574 VanDerWaalsContact C-N 3.33Å; Y572-Q574 PolarHBondContact O-N 2.79Å; Q574-P577 WeakPolarHBondContact O-CD 3.32Å; Q574-S655 PolarHBondContact NE2-OG 2.93Å; Q574-I659 HydrophobicContact CB-CD1 3.82Å; Q574-I659 VanDerWaalsContact CD-CD1 3.44Å; Q574-I659 HydrophobicContact CG-CD1 3.43Å; Q574-I659 VanDerWaalsContact CG-CD1 3.43Å
575	N	91.9	Very high	91.9	Very high	24 Å²	24	52.3 Å²	52.3	13%	0.128	24%	0.241	C	C	.	.	H	α-helix	trans	-78.7	-22.5	178.2	-177.3	68.4	0	0	0	113	V525 G528 K571 Y572 C573 R578 S579	V525-N575 PolarHBondContact O-ND2 2.77Å; G528-N575 VanDerWaalsContact CA-ND2 3.26Å; G528-N575 WeakPolarHBondContact CA-ND2 3.43Å; K571-N575 PolarHBondContact O-N 3.34Å; Y572-N575 PolarHBondContact O-N 3.13Å; Y572-N575 VanDerWaalsContact O-N 3.09Å; C573-N575 VanDerWaalsContact C-N 3.31Å; C573-N575 PolarHBondContact O-N 2.92Å; N575-R578 WeakPolarHBondContact O-CA 3.48Å; N575-R578 WeakPolarHBondContact O-CB 3.48Å; N575-R578 PolarHBondContact O-N 2.94Å; N575-S579 PolarHBondContact O-N 3.4Å
576	K	92.1	Very high	91.8	Very high	14 Å²	14	49.8 Å²	49.8	6%	0.061	23%	0.23	C	C	.	.	H	α-helix	trans	-51.9	-43.4	-173.2	-173.3	61.6	170.3	69.9	0	114.6	Y572 C573 R578 S579 E580 L609 V613	Y572-K576 HydrophobicContact CE1-CD 4.45Å; Y572-K576 PolarHBondContact O-N 3.27Å; C573-K576 WeakPolarHBondContact O-CB 3.26Å; C573-K576 PolarHBondContact O-N 3.47Å; K576-R578 VanDerWaalsContact C-N 3.28Å; K576-R578 PolarHBondContact O-N 3.41Å; K576-S579 WeakPolarHBondContact O-CB 3.35Å; K576-S579 PolarHBondContact O-N 2.91Å; K576-E580 IonicContact NZ-OE1 3.5Å; K576-E580 PolarHBondContact NZ-OE1 2.73Å; K576-E580 WeakPolarHBondContact O-CG 3.49Å; K576-E580 PolarHBondContact O-N 3.23Å; K576-L609 WeakPolarHBondContact CE-O 3.5Å; K576-V613 HydrophobicContact CG-CG2 4.48Å
577	P	89.2	Confident	91.5	Very high	63 Å²	63	50.4 Å²	50.4	41%	0.409	24%	0.237	S	C	.	.	H	α-helix	trans	-60.3	-35.6	175.8	-24.9	35.1	0	0	0	113.4	C573 Q574 V581 M656	C573-P577 WeakPolarHBondContact O-CD 3.48Å; Q574-P577 WeakPolarHBondContact O-CD 3.32Å; P577-V581 WeakPolarHBondContact O-CG2 3.32Å; P577-V581 PolarHBondContact O-N 2.85Å; P577-M656 HydrophobicContact CG-CE 4.45Å
578	R	90.4	Very high	91.5	Very high	155 Å²	155	54.1 Å²	54.1	59%	0.585	26%	0.259	S	S	*	.	H	α-helix	trans	-72.4	-41.2	176.9	-63.6	175.2	61.9	-169.6	-3.6	111.3	V525 N575 K576 E580 V581 V582	V525-R578 HydrophobicContact CG1-CB 3.83Å; N575-R578 WeakPolarHBondContact O-CA 3.48Å; N575-R578 WeakPolarHBondContact O-CB 3.48Å; N575-R578 PolarHBondContact O-N 2.94Å; K576-R578 VanDerWaalsContact C-N 3.28Å; K576-R578 PolarHBondContact O-N 3.41Å; R578-E580 VanDerWaalsContact C-N 3.3Å; R578-E580 PolarHBondContact O-N 3.27Å; R578-V581 PolarHBondContact O-N 3.47Å; R578-V582 PolarHBondContact O-N 2.92Å; R578-V582 VanDerWaalsContact O-N 3.13Å
579	S	93.6	Very high	91.4	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.028	26%	0.256	C	S	.	.	H	α-helix	trans	-55.2	-45.8	172.1	168.3	0	0	0	0	111.1	V525 L526 N575 K576 V581 V582 W583	V525-S579 WeakPolarHBondContact O-CA 3.3Å; V525-S579 WeakPolarHBondContact O-CB 3.47Å; L526-S579 VanDerWaalsContact O-CB 3.3Å; L526-S579 WeakPolarHBondContact O-CB 3.26Å; L526-S579 PolarHBondContact O-OG 3.38Å; N575-S579 PolarHBondContact O-N 3.4Å; K576-S579 WeakPolarHBondContact O-CB 3.35Å; K576-S579 PolarHBondContact O-N 2.91Å; S579-V581 PolarHBondContact O-N 2.96Å; S579-V582 PolarHBondContact O-N 3.26Å; S579-W583 PolarHBondContact O-N 3Å
580	E	91.1	Very high	91.3	Very high	64 Å²	64	58.8 Å²	58.8	30%	0.299	28%	0.283	S	S	.	.	H	α-helix	trans	-63.3	-38	178.2	-73.1	176	-169.4	0	0	113.6	K576 R578 V582 W583 R584	K576-E580 IonicContact NZ-OE1 3.5Å; K576-E580 PolarHBondContact NZ-OE1 2.73Å; K576-E580 WeakPolarHBondContact O-CG 3.49Å; K576-E580 PolarHBondContact O-N 3.23Å; R578-E580 VanDerWaalsContact C-N 3.3Å; R578-E580 PolarHBondContact O-N 3.27Å; E580-V582 VanDerWaalsContact C-N 3.33Å; E580-W583 PolarHBondContact O-N 3.21Å; E580-R584 WeakPolarHBondContact O-CG 3.48Å; E580-R584 PolarHBondContact O-N 2.85Å; E580-R584 IonicContact OE2-NH2 2.75Å; E580-R584 PolarHBondContact OE2-NH2 3.21Å
581	V	90.6	Very high	91.4	Very high	67 Å²	67	56.4 Å²	56.4	41%	0.406	27%	0.272	S	S	.	.	H	α-helix	trans	-64	-41.6	175.7	171.6	0	0	0	0	110.8	P577 R578 S579 Q585	P577-V581 WeakPolarHBondContact O-CG2 3.32Å; P577-V581 PolarHBondContact O-N 2.85Å; R578-V581 PolarHBondContact O-N 3.47Å; S579-V581 PolarHBondContact O-N 2.96Å; V581-Q585 WeakPolarHBondContact O-CG 3.33Å; V581-Q585 PolarHBondContact O-N 3.42Å
582	V	92.2	Very high	91.5	Very high	8 Å²	8	51.8 Å²	51.8	5%	0.048	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-45.9	175	177.4	0	0	0	0	110.1	L519 K522 V525 L526 R578 S579 E580 R584 Q585 C586	L519-V582 HydrophobicContact CD1-CG1 4.02Å; K522-V582 HydrophobicContact CD-CG2 4.13Å; V525-V582 HydrophobicContact CB-CG2 4.48Å; V525-V582 HydrophobicContact CG1-CG2 3.94Å; L526-V582 HydrophobicContact CB-CG1 4.25Å; L526-V582 HydrophobicContact CD1-CB 4.43Å; L526-V582 HydrophobicContact CD1-CG1 4.29Å; R578-V582 PolarHBondContact O-N 2.92Å; R578-V582 VanDerWaalsContact O-N 3.13Å; S579-V582 PolarHBondContact O-N 3.26Å; E580-V582 VanDerWaalsContact C-N 3.33Å; V582-R584 PolarHBondContact O-N 2.88Å; V582-Q585 WeakPolarHBondContact O-CB 3.32Å; V582-Q585 PolarHBondContact O-N 3.3Å; V582-Q585 VanDerWaalsContact O-N 3.11Å; V582-C586 PolarHBondContact O-N 2.98Å; V582-C586 PolarHBondContact O-SG 2.99Å
583	W	93.4	Very high	91.4	Very high	34 Å²	34	56.3 Å²	56.3	13%	0.129	27%	0.273	C	S	.	.	H	α-helix	trans	-58.1	-47.1	177.8	-177.9	-105.3	0	0	0	112.5	L526 S579 E580 Q585 C586 G587 F592 L605 D606	L526-W583 HydrophobicContact CD1-CB 4.13Å; L526-W583 HydrophobicContact CD1-CE3 4.29Å; S579-W583 PolarHBondContact O-N 3Å; E580-W583 PolarHBondContact O-N 3.21Å; W583-Q585 PolarHBondContact O-N 3.07Å; W583-Q585 VanDerWaalsContact O-N 3.08Å; W583-C586 PolarHBondContact O-N 3.45Å; W583-G587 WeakPolarHBondContact O-CA 3.43Å; W583-G587 PolarHBondContact O-N 3.13Å; W583-F592 HydrophobicContact CE3-CD2 4.47Å; W583-F592 HydrophobicContact CE3-CE2 4.25Å; W583-F592 HydrophobicContact CE3-CZ 4.38Å; W583-F592 HydrophobicContact CH2-CB 4.18Å; W583-F592 HydrophobicContact CH2-CD1 4.34Å; W583-F592 HydrophobicContact CH2-CD2 4.14Å; W583-F592 AromaticContact CH2-CG 3.98Å; W583-F592 HydrophobicContact CH2-CG 3.98Å; W583-F592 HydrophobicContact CZ3-CB 4.38Å; W583-F592 AromaticContact CZ3-CD1 3.82Å; W583-F592 HydrophobicContact CZ3-CD1 3.82Å; W583-F592 AromaticContact CZ3-CD2 3.62Å; W583-F592 HydrophobicContact CZ3-CD2 3.62Å; W583-F592 AromaticContact CZ3-CE1 3.93Å; W583-F592 HydrophobicContact CZ3-CE1 3.93Å; W583-F592 AromaticContact CZ3-CE2 3.75Å; W583-F592 HydrophobicContact CZ3-CE2 3.75Å; W583-F592 AromaticContact CZ3-CG 3.68Å; W583-F592 HydrophobicContact CZ3-CG 3.68Å; W583-F592 AromaticContact CZ3-CZ 3.9Å; W583-F592 HydrophobicContact CZ3-CZ 3.9Å; W583-L605 HydrophobicContact CE3-CD2 4.35Å; W583-L605 HydrophobicContact CH2-CB 3.54Å; W583-L605 HydrophobicContact CH2-CD2 4.38Å; W583-L605 HydrophobicContact CH2-CG 4.44Å; W583-L605 HydrophobicContact CZ2-CB 4.19Å; W583-L605 HydrophobicContact CZ3-CB 3.74Å; W583-L605 HydrophobicContact CZ3-CD2 3.73Å; W583-L605 HydrophobicContact CZ3-CG 4.14Å; W583-D606 HydrophobicContact CD2-CB 4.13Å; W583-D606 HydrophobicContact CG-CB 4Å; W583-D606 HydrophobicContact CZ2-CB 4.44Å; W583-D606 VanDerWaalsContact NE1-CB 3.32Å; W583-D606 VanDerWaalsContact NE1-CG 3.31Å; W583-D606 PolarHBondContact NE1-OD1 2.86Å; W583-D606 VanDerWaalsContact NE1-OD1 3.15Å
584	R	91.9	Very high	91.3	Very high	178 Å²	178	59.7 Å²	59.7	67%	0.672	29%	0.289	S	S	*	.	H	α-helix	trans	-59.3	-24.6	177.8	-72.8	179.3	-138.8	141.6	4.8	113.7	E580 V582	E580-R584 WeakPolarHBondContact O-CG 3.48Å; E580-R584 PolarHBondContact O-N 2.85Å; E580-R584 IonicContact OE2-NH2 2.75Å; E580-R584 PolarHBondContact OE2-NH2 3.21Å; V582-R584 PolarHBondContact O-N 2.88Å
585	Q	89.9	Confident	91.5	Very high	106 Å²	106	56.8 Å²	56.8	50%	0.495	28%	0.276	S	S	.	.	H	α-helix	trans	-84.7	-17.6	179.1	-68.7	172.3	1.4	0	0	113.4	T518 V581 V582 W583	T518-Q585 HydrophobicContact CG2-CB 4.46Å; V581-Q585 WeakPolarHBondContact O-CG 3.33Å; V581-Q585 PolarHBondContact O-N 3.42Å; V582-Q585 WeakPolarHBondContact O-CB 3.32Å; V582-Q585 PolarHBondContact O-N 3.3Å; V582-Q585 VanDerWaalsContact O-N 3.11Å; W583-Q585 PolarHBondContact O-N 3.07Å; W583-Q585 VanDerWaalsContact O-N 3.08Å
586	C	90.3	Very high	91.6	Very high	8 Å²	8	58.4 Å²	58.4	5%	0.054	28%	0.282	C	S	.	.	H	α-helix	trans	-147.5	1.9	-169	68.2	0	0	0	0	116.6	P516 T518 V582 W583 D588 S589 F592	P516-C586 HydrophobicContact CB-CB 4.09Å; P516-C586 HydrophobicContact CG-CB 3.71Å; T518-C586 WeakPolarHBondContact OG1-CB 3.34Å; V582-C586 PolarHBondContact O-N 2.98Å; V582-C586 PolarHBondContact O-SG 2.99Å; W583-C586 PolarHBondContact O-N 3.45Å; C586-D588 VanDerWaalsContact C-N 3.28Å; C586-D588 PolarHBondContact O-N 2.78Å; C586-S589 WeakPolarHBondContact O-CB 3.35Å; C586-S589 PolarHBondContact O-N 3.32Å; C586-S589 PolarHBondContact O-OG 2.99Å; C586-F592 VanDerWaalsContact O-CD2 3.32Å; C586-F592 WeakPolarHBondContact O-CD2 3.42Å
587	G	87.4	Confident	91.6	Very high	14 Å²	14	65 Å²	65	14%	0.144	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-32.8	-174.7	0	0	0	0	0	113.9	W583 S589	W583-G587 WeakPolarHBondContact O-CA 3.43Å; W583-G587 PolarHBondContact O-N 3.13Å; G587-S589 PolarHBondContact O-N 3.01Å
588	D	88.3	Confident	91.8	Very high	149 Å²	149	66.9 Å²	66.9	80%	0.797	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	7.1	177.6	-62.8	-33.9	0	0	0	113.8	C586 Q593	C586-D588 VanDerWaalsContact C-N 3.28Å; C586-D588 PolarHBondContact O-N 2.78Å; D588-Q593 PolarHBondContact O-NE2 3.42Å
589	S	92.3	Very high	91.8	Very high	21 Å²	21	62 Å²	62	15%	0.147	30%	0.298	C	S	.	.	S	Bend	trans	-67.5	150.9	-178.9	65.5	0	0	0	0	112.7	C586 G587 F591 F592 Q593	C586-S589 WeakPolarHBondContact O-CB 3.35Å; C586-S589 PolarHBondContact O-N 3.32Å; C586-S589 PolarHBondContact O-OG 2.99Å; G587-S589 PolarHBondContact O-N 3.01Å; S589-F591 PolarHBondContact O-N 3.07Å; S589-F592 PolarHBondContact O-N 3.03Å; S589-F592 VanDerWaalsContact O-N 3.15Å; S589-F592 WeakPolarHBondContact OG-CD2 3.35Å; S589-Q593 PolarHBondContact O-N 2.88Å
590	L	91.6	Very high	91.7	Very high	108 Å²	108	68.3 Å²	68.3	57%	0.565	33%	0.332	S	S	*	.	H	α-helix	trans	-57.3	-32	178.3	-68.7	173.1	0	0	0	112.6	L514 Q593 E594	L514-L590 HydrophobicContact CD2-CB 4.38Å; L590-Q593 PolarHBondContact O-N 3.36Å; L590-E594 WeakPolarHBondContact O-CG 3.42Å; L590-E594 PolarHBondContact O-N 3.2Å
591	F	94	Very high	91.7	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-56.8	-53.7	174.7	176	-97.4	0	0	0	112	E505 L506 I511 L514 I515 S589 Q593 E594 C595	E505-F591 HydrophobicContact CB-CZ 4.21Å; L506-F591 HydrophobicContact CD2-CE1 3.65Å; L506-F591 HydrophobicContact CD2-CE2 4.26Å; L506-F591 HydrophobicContact CD2-CZ 3.49Å; L506-F591 VanDerWaalsContact CD2-CZ 3.49Å; L506-F591 HydrophobicContact CG-CE1 4.24Å; L506-F591 HydrophobicContact CG-CZ 3.88Å; I511-F591 HydrophobicContact CD1-CD2 3.96Å; I511-F591 HydrophobicContact CD1-CE2 3.6Å; I511-F591 HydrophobicContact CG1-CD2 4.37Å; I511-F591 HydrophobicContact CG1-CE2 4.07Å; L514-F591 HydrophobicContact CB-CB 3.99Å; L514-F591 WeakPolarHBondContact O-CB 3.24Å; I515-F591 HydrophobicContact CD1-CE2 4.48Å; I515-F591 HydrophobicContact CG1-CD2 3.76Å; I515-F591 HydrophobicContact CG1-CE2 3.86Å; I515-F591 HydrophobicContact CG1-CG 4.32Å; S589-F591 PolarHBondContact O-N 3.07Å; F591-Q593 VanDerWaalsContact C-N 3.32Å; F591-Q593 PolarHBondContact O-N 3.06Å; F591-E594 PolarHBondContact O-N 3.41Å; F591-C595 PolarHBondContact O-N 3.01Å; F591-C595 PolarHBondContact O-SG 3.22Å
592	F	93.9	Very high	91.7	Very high	4 Å²	4	72.2 Å²	72.2	2%	0.018	34%	0.342	C	S	.	.	H	α-helix	trans	-68.7	-31.5	-178.6	-68.8	-60.2	0	0	0	112.8	Y502 L519 L526 W583 C586 S589 Q596 L605	Y502-F592 AromaticContact CD1-CD1 3.96Å; Y502-F592 HydrophobicContact CD1-CD1 3.96Å; Y502-F592 HydrophobicContact CD1-CE1 4.46Å; Y502-F592 HydrophobicContact CE1-CD1 4.33Å; L519-F592 HydrophobicContact CD2-CE1 4.44Å; L519-F592 HydrophobicContact CD2-CE2 4.04Å; L519-F592 HydrophobicContact CD2-CZ 3.53Å; L526-F592 HydrophobicContact CD2-CE1 4.14Å; L526-F592 HydrophobicContact CD2-CZ 3.6Å; W583-F592 HydrophobicContact CE3-CD2 4.47Å; W583-F592 HydrophobicContact CE3-CE2 4.25Å; W583-F592 HydrophobicContact CE3-CZ 4.38Å; W583-F592 HydrophobicContact CH2-CB 4.18Å; W583-F592 HydrophobicContact CH2-CD1 4.34Å; W583-F592 HydrophobicContact CH2-CD2 4.14Å; W583-F592 AromaticContact CH2-CG 3.98Å; W583-F592 HydrophobicContact CH2-CG 3.98Å; W583-F592 HydrophobicContact CZ3-CB 4.38Å; W583-F592 AromaticContact CZ3-CD1 3.82Å; W583-F592 HydrophobicContact CZ3-CD1 3.82Å; W583-F592 AromaticContact CZ3-CD2 3.62Å; W583-F592 HydrophobicContact CZ3-CD2 3.62Å; W583-F592 AromaticContact CZ3-CE1 3.93Å; W583-F592 HydrophobicContact CZ3-CE1 3.93Å; W583-F592 AromaticContact CZ3-CE2 3.75Å; W583-F592 HydrophobicContact CZ3-CE2 3.75Å; W583-F592 AromaticContact CZ3-CG 3.68Å; W583-F592 HydrophobicContact CZ3-CG 3.68Å; W583-F592 AromaticContact CZ3-CZ 3.9Å; W583-F592 HydrophobicContact CZ3-CZ 3.9Å; C586-F592 VanDerWaalsContact O-CD2 3.32Å; C586-F592 WeakPolarHBondContact O-CD2 3.42Å; S589-F592 PolarHBondContact O-N 3.03Å; S589-F592 VanDerWaalsContact O-N 3.15Å; S589-F592 WeakPolarHBondContact OG-CD2 3.35Å; F592-Q596 VanDerWaalsContact O-CB 3.22Å; F592-Q596 WeakPolarHBondContact O-CB 3.31Å; F592-Q596 PolarHBondContact O-N 3.26Å; F592-L605 HydrophobicContact CD1-CD2 3.87Å; F592-L605 HydrophobicContact CE1-CD2 3.61Å; F592-L605 HydrophobicContact CZ-CD2 4.49Å
593	Q	92.8	Very high	91.6	Very high	98 Å²	98	76.2 Å²	76.2	46%	0.458	36%	0.363	S	S	.	.	H	α-helix	trans	-64.4	-44.2	174.4	-66.1	178.8	17.5	0	0	111.7	D588 S589 L590 F591 Q596 K597	D588-Q593 PolarHBondContact O-NE2 3.42Å; S589-Q593 PolarHBondContact O-N 2.88Å; L590-Q593 PolarHBondContact O-N 3.36Å; F591-Q593 VanDerWaalsContact C-N 3.32Å; F591-Q593 PolarHBondContact O-N 3.06Å; Q593-Q596 PolarHBondContact O-N 2.89Å; Q593-K597 VanDerWaalsContact O-CB 3.3Å; Q593-K597 WeakPolarHBondContact O-CB 3.46Å; Q593-K597 PolarHBondContact O-N 2.89Å
594	E	92.2	Very high	91.5	Very high	74 Å²	74	76.8 Å²	76.8	35%	0.346	37%	0.372	S	S	.	.	H	α-helix	trans	-67.3	-41.9	176.9	-72.9	-60.9	123.3	0	0	111.8	L514 L590 F591 K597 K598	L514-E594 HydrophobicContact CD1-CG 4.16Å; L590-E594 WeakPolarHBondContact O-CG 3.42Å; L590-E594 PolarHBondContact O-N 3.2Å; F591-E594 PolarHBondContact O-N 3.41Å; E594-K597 PolarHBondContact O-N 3.48Å; E594-K598 WeakPolarHBondContact O-CB 3.42Å; E594-K598 WeakPolarHBondContact O-CG 3.42Å; E594-K598 PolarHBondContact O-N 3.27Å
595	C	93.4	Very high	91.6	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.5	-47.1	173.7	-64.8	0	0	0	0	111.7	G501 Y502 F591 K597 K598 L599	G501-C595 WeakPolarHBondContact O-CB 3.08Å; Y502-C595 HydrophobicContact CD1-CB 3.58Å; Y502-C595 HydrophobicContact CE1-CB 3.62Å; Y502-C595 HydrophobicContact CG-CB 4.35Å; F591-C595 PolarHBondContact O-N 3.01Å; F591-C595 PolarHBondContact O-SG 3.22Å; C595-K597 VanDerWaalsContact C-N 3.31Å; C595-K597 PolarHBondContact O-N 3.28Å; C595-K598 PolarHBondContact O-N 2.89Å; C595-L599 WeakPolarHBondContact O-CG 3.39Å; C595-L599 PolarHBondContact O-N 2.81Å; C595-L599 VanDerWaalsContact O-N 3.15Å
596	Q	93.2	Very high	91.7	Very high	57 Å²	57	65.8 Å²	65.8	27%	0.266	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-40.3	179	-172.4	178.6	-19.3	0	0	111.9	Y502 F592 Q593 L599 D600 H601 L603	Y502-Q596 WeakPolarHBondContact OH-CA 3.29Å; F592-Q596 VanDerWaalsContact O-CB 3.22Å; F592-Q596 WeakPolarHBondContact O-CB 3.31Å; F592-Q596 PolarHBondContact O-N 3.26Å; Q593-Q596 PolarHBondContact O-N 2.89Å; Q596-L599 PolarHBondContact O-N 3.09Å; Q596-D600 PolarHBondContact O-N 3.35Å; Q596-D600 VanDerWaalsContact O-N 3.15Å; Q596-H601 HydrophobicContact CG-CB 3.75Å; Q596-H601 VanDerWaalsContact CG-O 3.31Å; Q596-H601 WeakPolarHBondContact CG-O 3.36Å; Q596-H601 PolarHBondContact NE2-O 3.39Å; Q596-H601 PolarHBondContact O-N 3.47Å; Q596-L603 PolarHBondContact NE2-O 3.38Å
597	K	92.4	Very high	91.8	Very high	152 Å²	152	66.7 Å²	66.7	66%	0.661	34%	0.338	S	S	*	.	H	α-helix	trans	-68.3	-42.1	177.4	-176.1	-177.8	174.8	-169.9	0	112.5	Q593 E594 C595 L599 D600	Q593-K597 VanDerWaalsContact O-CB 3.3Å; Q593-K597 WeakPolarHBondContact O-CB 3.46Å; Q593-K597 PolarHBondContact O-N 2.89Å; E594-K597 PolarHBondContact O-N 3.48Å; C595-K597 VanDerWaalsContact C-N 3.31Å; C595-K597 PolarHBondContact O-N 3.28Å; K597-L599 PolarHBondContact O-N 3.22Å; K597-D600 PolarHBondContact O-N 3.21Å
598	K	92.5	Very high	92.1	Very high	103 Å²	103	67.1 Å²	67.1	45%	0.448	34%	0.335	S	S	.	.	H	α-helix	trans	-58.6	-36.3	175.6	-80.6	176.9	170.7	-175.5	0	112.2	E505 E594 C595	E505-K598 VanDerWaalsContact CD-NZ 3.35Å; E505-K598 IonicContact OE1-NZ 3.8Å; E505-K598 PolarHBondContact OE1-NZ 3.26Å; E505-K598 IonicContact OE2-NZ 3.54Å; E505-K598 PolarHBondContact OE2-NZ 2.52Å; E594-K598 WeakPolarHBondContact O-CB 3.42Å; E594-K598 WeakPolarHBondContact O-CG 3.42Å; E594-K598 PolarHBondContact O-N 3.27Å; C595-K598 PolarHBondContact O-N 2.89Å
599	L	91.1	Very high	92.5	Very high	53 Å²	53	60 Å²	60	28%	0.277	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-5	-178.5	-62.8	166	0	0	0	114.3	Y502 C595 Q596 K597 H601	Y502-L599 HydrophobicContact CD2-CD1 3.63Å; Y502-L599 HydrophobicContact CE2-CD1 3.18Å; C595-L599 WeakPolarHBondContact O-CG 3.39Å; C595-L599 PolarHBondContact O-N 2.81Å; C595-L599 VanDerWaalsContact O-N 3.15Å; Q596-L599 PolarHBondContact O-N 3.09Å; K597-L599 PolarHBondContact O-N 3.22Å; L599-H601 HydrophobicContact CB-CB 4.39Å; L599-H601 PolarHBondContact O-CD2 2.98Å; L599-H601 PolarHBondContact O-N 3.31Å
600	D	91.9	Very high	92.5	Very high	137 Å²	137	61.9 Å²	61.9	73%	0.733	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	36.3	-169.9	-164	37.3	0	0	0	113.1	Q596 K597 K602	Q596-D600 PolarHBondContact O-N 3.35Å; Q596-D600 VanDerWaalsContact O-N 3.15Å; K597-D600 PolarHBondContact O-N 3.21Å; D600-K602 PolarHBondContact O-N 2.92Å
601	H	91.3	Very high	92.7	Very high	23 Å²	23	58.2 Å²	58.2	11%	0.106	29%	0.285	C	S	.	.			trans	-75	120.5	-178.6	-86.8	-169.7	0	0	0	111.2	S497 Y502 Q596 L599 Y608	S497-H601 PolarHBondContact OG-CE1 3.08Å; S497-H601 PolarHBondContact OG-NE2 2.61Å; S497-H601 VanDerWaalsContact OG-NE2 3.11Å; Y502-H601 AromaticContact CE2-CE1 3.72Å; Y502-H601 AromaticContact CE2-ND1 3.5Å; Y502-H601 AromaticContact CZ-ND1 3.79Å; Y502-H601 PolarHBondContact OH-ND1 2.92Å; Y502-H601 VanDerWaalsContact OH-ND1 3.16Å; Q596-H601 HydrophobicContact CG-CB 3.75Å; Q596-H601 VanDerWaalsContact CG-O 3.31Å; Q596-H601 WeakPolarHBondContact CG-O 3.36Å; Q596-H601 PolarHBondContact NE2-O 3.39Å; Q596-H601 PolarHBondContact O-N 3.47Å; L599-H601 HydrophobicContact CB-CB 4.39Å; L599-H601 PolarHBondContact O-CD2 2.98Å; L599-H601 PolarHBondContact O-N 3.31Å; H601-Y608 HydrophobicContact CB-CE2 4.09Å; H601-Y608 AromaticContact CG-CE2 3.85Å; H601-Y608 AromaticContact CG-CZ 3.91Å; H601-Y608 AromaticContact ND1-CE2 3.58Å; H601-Y608 AromaticContact ND1-CZ 3.82Å
602	K	89.2	Confident	92.8	Very high	189 Å²	189	58.2 Å²	58.2	82%	0.822	29%	0.285	S	S	*	.	S	Bend	trans	-74.3	-25.5	-179.9	-63.8	-177.8	-178.1	175.2	0	113.8	D600	D600-K602 PolarHBondContact O-N 2.92Å
603	L	90.3	Very high	92.8	Very high	92 Å²	92	60.1 Å²	60.1	48%	0.482	30%	0.297	S	S	.	.	S	Bend	trans	-107.5	156.5	179.2	-56.8	175.2	0	0	0	110.2	Q596 A607 Y608	Q596-L603 PolarHBondContact NE2-O 3.38Å; L603-A607 HydrophobicContact CB-CB 3.94Å; L603-A607 HydrophobicContact CD1-CB 4.25Å; L603-Y608 HydrophobicContact CB-CD2 4.23Å; L603-Y608 HydrophobicContact CB-CE2 3.72Å; L603-Y608 WeakPolarHBondContact O-CE2 3.14Å
604	S	91.9	Very high	92.8	Very high	46 Å²	46	60.8 Å²	60.8	32%	0.322	30%	0.3	S	S	.	.			trans	-68.8	156.2	171.9	53.3	0	0	0	0	111.5	D606 A607 Y608	S604-D606 WeakPolarHBondContact CB-OD1 3.45Å; S604-D606 PolarHBondContact O-N 2.88Å; S604-D606 PolarHBondContact OG-OD1 3.41Å; S604-A607 WeakPolarHBondContact O-CB 3.26Å; S604-A607 PolarHBondContact O-N 3.22Å; S604-A607 VanDerWaalsContact O-N 3.08Å; S604-Y608 WeakPolarHBondContact O-CD2 3.32Å; S604-Y608 PolarHBondContact O-N 3.17Å
605	L	93.6	Very high	93	Very high	1 Å²	1	58 Å²	58	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-57.6	-34.6	-178	176	63.1	0	0	0	112.5	I498 Y502 F527 W583 F592 A607 Y608 L609	I498-L605 HydrophobicContact CG1-CD1 4.34Å; I498-L605 HydrophobicContact CG2-CD1 3.98Å; Y502-L605 HydrophobicContact CD1-CB 4.47Å; Y502-L605 HydrophobicContact CD1-CD1 4.13Å; Y502-L605 HydrophobicContact CD1-CD2 3.77Å; Y502-L605 HydrophobicContact CD1-CG 4.34Å; Y502-L605 HydrophobicContact CD2-CD1 3.88Å; Y502-L605 HydrophobicContact CE1-CB 4.04Å; Y502-L605 HydrophobicContact CE1-CD1 4.24Å; Y502-L605 HydrophobicContact CE1-CD2 4.19Å; Y502-L605 HydrophobicContact CE1-CG 4.38Å; Y502-L605 HydrophobicContact CE2-CD1 3.95Å; Y502-L605 HydrophobicContact CG-CD1 3.92Å; Y502-L605 HydrophobicContact CG-CD2 4.12Å; F527-L605 HydrophobicContact CE1-CD2 4.05Å; F527-L605 HydrophobicContact CZ-CD2 4.22Å; W583-L605 HydrophobicContact CE3-CD2 4.35Å; W583-L605 HydrophobicContact CH2-CB 3.54Å; W583-L605 HydrophobicContact CH2-CD2 4.38Å; W583-L605 HydrophobicContact CH2-CG 4.44Å; W583-L605 HydrophobicContact CZ2-CB 4.19Å; W583-L605 HydrophobicContact CZ3-CB 3.74Å; W583-L605 HydrophobicContact CZ3-CD2 3.73Å; W583-L605 HydrophobicContact CZ3-CG 4.14Å; F592-L605 HydrophobicContact CD1-CD2 3.87Å; F592-L605 HydrophobicContact CE1-CD2 3.61Å; F592-L605 HydrophobicContact CZ-CD2 4.49Å; L605-A607 VanDerWaalsContact C-N 3.27Å; L605-A607 PolarHBondContact O-N 2.87Å; L605-Y608 CarbonylContact O-C 3.47Å; L605-Y608 WeakPolarHBondContact O-CA 2.94Å; L605-Y608 WeakPolarHBondContact O-CB 3.4Å; L605-Y608 PolarHBondContact O-N 2.99Å; L605-L609 HydrophobicContact CD1-CD2 4.39Å; L605-L609 HydrophobicContact CD1-CG 4.14Å; L605-L609 HydrophobicContact CD2-CD1 4.4Å; L605-L609 HydrophobicContact CG-CD1 3.99Å; L605-L609 HydrophobicContact CG-CG 4.06Å; L605-L609 WeakPolarHBondContact O-CG 3.5Å; L605-L609 PolarHBondContact O-N 3.11Å
606	D	93.1	Very high	93	Very high	52 Å²	52	58.1 Å²	58.1	28%	0.278	29%	0.287	S	S	.	.	H	α-helix	trans	-62.5	-32.5	177.9	63.7	-63.8	0	0	0	113.9	W583 S604 Y608 L609 L610	W583-D606 HydrophobicContact CD2-CB 4.13Å; W583-D606 HydrophobicContact CG-CB 4Å; W583-D606 HydrophobicContact CZ2-CB 4.44Å; W583-D606 VanDerWaalsContact NE1-CB 3.32Å; W583-D606 VanDerWaalsContact NE1-CG 3.31Å; W583-D606 PolarHBondContact NE1-OD1 2.86Å; W583-D606 VanDerWaalsContact NE1-OD1 3.15Å; S604-D606 WeakPolarHBondContact CB-OD1 3.45Å; S604-D606 PolarHBondContact O-N 2.88Å; S604-D606 PolarHBondContact OG-OD1 3.41Å; D606-Y608 VanDerWaalsContact C-N 3.33Å; D606-L609 PolarHBondContact O-N 2.6Å; D606-L610 WeakPolarHBondContact O-CG 3.38Å; D606-L610 PolarHBondContact O-N 2.86Å; D606-L610 VanDerWaalsContact O-N 3.13Å
607	A	92.1	Very high	92.9	Very high	27 Å²	27	58.1 Å²	58.1	22%	0.223	29%	0.291	C	S	.	.	H	α-helix	trans	-65.8	-39.4	173.3	0	0	0	0	0	111	L603 S604 L605 L610	L603-A607 HydrophobicContact CB-CB 3.94Å; L603-A607 HydrophobicContact CD1-CB 4.25Å; S604-A607 WeakPolarHBondContact O-CB 3.26Å; S604-A607 PolarHBondContact O-N 3.22Å; S604-A607 VanDerWaalsContact O-N 3.08Å; L605-A607 VanDerWaalsContact C-N 3.27Å; L605-A607 PolarHBondContact O-N 2.87Å; A607-L610 PolarHBondContact O-N 3.03Å
608	Y	93.8	Very high	92.9	Very high	23 Å²	23	54.1 Å²	54.1	9%	0.09	27%	0.274	C	S	.	.	H	α-helix	trans	-67.8	-39.1	173.7	-74.8	-84.1	0	0	0	112.1	E494 H601 L603 S604 L605 D606 L610 K611	E494-Y608 HydrophobicContact CB-CD1 4.49Å; E494-Y608 HydrophobicContact CG-CE1 4.34Å; H601-Y608 HydrophobicContact CB-CE2 4.09Å; H601-Y608 AromaticContact CG-CE2 3.85Å; H601-Y608 AromaticContact CG-CZ 3.91Å; H601-Y608 AromaticContact ND1-CE2 3.58Å; H601-Y608 AromaticContact ND1-CZ 3.82Å; L603-Y608 HydrophobicContact CB-CD2 4.23Å; L603-Y608 HydrophobicContact CB-CE2 3.72Å; L603-Y608 WeakPolarHBondContact O-CE2 3.14Å; S604-Y608 WeakPolarHBondContact O-CD2 3.32Å; S604-Y608 PolarHBondContact O-N 3.17Å; L605-Y608 CarbonylContact O-C 3.47Å; L605-Y608 WeakPolarHBondContact O-CA 2.94Å; L605-Y608 WeakPolarHBondContact O-CB 3.4Å; L605-Y608 PolarHBondContact O-N 2.99Å; D606-Y608 VanDerWaalsContact C-N 3.33Å; Y608-L610 PolarHBondContact O-N 3.42Å; Y608-K611 HydrophobicContact CD1-CD 3.87Å; Y608-K611 VanDerWaalsContact O-CB 3.3Å; Y608-K611 WeakPolarHBondContact O-CB 3.49Å; Y608-K611 WeakPolarHBondContact O-CG 3.16Å; Y608-K611 PolarHBondContact O-N 2.76Å; Y608-K611 VanDerWaalsContact O-N 3.09Å
609	L	95.4	Very high	93.1	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-68.1	-13.7	176	-65.7	176.7	0	0	0	113.6	I498 L526 F527 L530 Y572 K576 L605 D606	I498-L609 HydrophobicContact CG2-CD2 4.46Å; L526-L609 HydrophobicContact CD1-CD1 4.18Å; L526-L609 HydrophobicContact CG-CD1 4.47Å; F527-L609 HydrophobicContact CD1-CD2 3.99Å; F527-L609 HydrophobicContact CE1-CD2 4.41Å; L530-L609 HydrophobicContact CD2-CD2 3.77Å; Y572-L609 PolarHBondContact OH-O 3.38Å; K576-L609 WeakPolarHBondContact CE-O 3.5Å; L605-L609 HydrophobicContact CD1-CD2 4.39Å; L605-L609 HydrophobicContact CD1-CG 4.14Å; L605-L609 HydrophobicContact CD2-CD1 4.4Å; L605-L609 HydrophobicContact CG-CD1 3.99Å; L605-L609 HydrophobicContact CG-CG 4.06Å; L605-L609 WeakPolarHBondContact O-CG 3.5Å; L605-L609 PolarHBondContact O-N 3.11Å; D606-L609 PolarHBondContact O-N 2.6Å
610	L	93.6	Very high	93.1	Very high	59 Å²	59	48.5 Å²	48.5	31%	0.309	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-18.3	171.9	-78.9	167.3	0	0	0	113.4	D606 A607 Y608 V613 Q614	D606-L610 WeakPolarHBondContact O-CG 3.38Å; D606-L610 PolarHBondContact O-N 2.86Å; D606-L610 VanDerWaalsContact O-N 3.13Å; A607-L610 PolarHBondContact O-N 3.03Å; Y608-L610 PolarHBondContact O-N 3.42Å; L610-V613 WeakPolarHBondContact O-CB 2.92Å; L610-V613 PolarHBondContact O-N 2.76Å; L610-V613 VanDerWaalsContact O-N 3.09Å; L610-Q614 PolarHBondContact O-N 3.48Å; L610-Q614 VanDerWaalsContact O-N 3.17Å
611	K	94.4	Very high	93.1	Very high	31 Å²	31	46.5 Å²	46.5	14%	0.135	24%	0.236	C	C	.	.	H	α-helix	trans	-57	-40.3	-175.6	-68	173.4	172.6	-73.3	0	114	Y491 E494 Y608 V613 Q614 R615	Y491-K611 HydrophobicContact CD2-CB 4.35Å; Y491-K611 HydrophobicContact CE2-CB 4.08Å; E494-K611 HydrophobicContact CB-CD 4.14Å; E494-K611 VanDerWaalsContact OE1-CE 3.25Å; E494-K611 WeakPolarHBondContact OE1-CE 3.28Å; E494-K611 IonicContact OE1-NZ 3.78Å; E494-K611 PolarHBondContact OE1-NZ 3.24Å; E494-K611 VanDerWaalsContact OE2-CD 3.25Å; E494-K611 WeakPolarHBondContact OE2-CD 3.4Å; E494-K611 WeakPolarHBondContact OE2-CE 3.39Å; E494-K611 IonicContact OE2-NZ 3.54Å; E494-K611 PolarHBondContact OE2-NZ 3.11Å; Y608-K611 HydrophobicContact CD1-CD 3.87Å; Y608-K611 VanDerWaalsContact O-CB 3.3Å; Y608-K611 WeakPolarHBondContact O-CB 3.49Å; Y608-K611 WeakPolarHBondContact O-CG 3.16Å; Y608-K611 PolarHBondContact O-N 2.76Å; Y608-K611 VanDerWaalsContact O-N 3.09Å; K611-V613 VanDerWaalsContact C-N 3.32Å; K611-V613 PolarHBondContact O-N 3Å; K611-Q614 CarbonylContact O-C 3.48Å; K611-Q614 WeakPolarHBondContact O-CB 3.22Å; K611-Q614 PolarHBondContact O-N 3.04Å; K611-Q614 VanDerWaalsContact O-N 3.15Å; K611-R615 WeakPolarHBondContact O-CB 3.26Å; K611-R615 PolarHBondContact O-N 3.03Å
612	P	96.3	Very high	93	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-40.1	175.9	-25.4	34.9	0	0	0	113.5	Y491 L495 L530 I533 Y569 Y572 Q614 R615 I616	Y491-P612 WeakPolarHBondContact OH-CA 3.35Å; Y491-P612 WeakPolarHBondContact OH-CB 3.29Å; L495-P612 HydrophobicContact CD2-CG 4.26Å; L530-P612 HydrophobicContact CD1-CG 3.55Å; I533-P612 HydrophobicContact CD1-CB 4.17Å; Y569-P612 HydrophobicContact CD1-CB 4.23Å; Y569-P612 HydrophobicContact CE1-CB 3.71Å; Y569-P612 WeakPolarHBondContact CE1-O 3.35Å; Y572-P612 HydrophobicContact CD1-CB 3.83Å; Y572-P612 HydrophobicContact CD1-CG 4.35Å; Y572-P612 HydrophobicContact CE1-CB 3.63Å; Y572-P612 HydrophobicContact CE1-CG 3.73Å; P612-Q614 VanDerWaalsContact C-N 3.29Å; P612-Q614 PolarHBondContact O-N 2.91Å; P612-R615 PolarHBondContact O-N 3.4Å; P612-I616 PolarHBondContact O-N 3.1Å; P612-I616 VanDerWaalsContact O-N 3.14Å
613	V	93.9	Very high	93.2	Very high	45 Å²	45	36.6 Å²	36.6	27%	0.273	19%	0.193	S	C	.	.	H	α-helix	trans	-64.3	-38	176.9	-173	0	0	0	0	110.8	Y572 K576 L610 K611 I616 T617	Y572-V613 HydrophobicContact CD1-CG2 4.43Å; Y572-V613 HydrophobicContact CE1-CG2 4.25Å; K576-V613 HydrophobicContact CG-CG2 4.48Å; L610-V613 WeakPolarHBondContact O-CB 2.92Å; L610-V613 PolarHBondContact O-N 2.76Å; L610-V613 VanDerWaalsContact O-N 3.09Å; K611-V613 VanDerWaalsContact C-N 3.32Å; K611-V613 PolarHBondContact O-N 3Å; V613-I616 WeakPolarHBondContact O-CG2 3.13Å; V613-T617 PolarHBondContact O-OG1 2.83Å
614	Q	92.8	Very high	93.2	Very high	112 Å²	112	37.5 Å²	37.5	52%	0.523	19%	0.193	S	C	.	.	H	α-helix	trans	-71.1	-38.2	175.4	-63.5	170.3	-15	0	0	111.8	L610 K611 P612 T617 K618	L610-Q614 PolarHBondContact O-N 3.48Å; L610-Q614 VanDerWaalsContact O-N 3.17Å; K611-Q614 CarbonylContact O-C 3.48Å; K611-Q614 WeakPolarHBondContact O-CB 3.22Å; K611-Q614 PolarHBondContact O-N 3.04Å; K611-Q614 VanDerWaalsContact O-N 3.15Å; P612-Q614 VanDerWaalsContact C-N 3.29Å; P612-Q614 PolarHBondContact O-N 2.91Å; Q614-T617 PolarHBondContact O-N 3.15Å; Q614-T617 PolarHBondContact O-OG1 3.41Å; Q614-K618 PolarHBondContact O-N 3.48Å; Q614-K618 VanDerWaalsContact O-N 3.08Å
615	R	96.1	Very high	93	Very high	14 Å²	14	39.8 Å²	39.8	5%	0.053	20%	0.199	C	C	.	.	H	α-helix	trans	-65.7	-48.4	-176.4	-168.9	73.7	-176.1	159.6	9.1	111.6	L484 S487 E488 Y491 K611 P612 T617 K618 Y619	L484-R615 PolarHBondContact O-NH2 3.47Å; S487-R615 PolarHBondContact O-NH1 3.35Å; S487-R615 VanDerWaalsContact O-NH1 3.14Å; S487-R615 PolarHBondContact OG-NH1 2.71Å; E488-R615 IonicContact OE2-CZ 2.81Å; E488-R615 IonicContact OE2-NE 3.34Å; E488-R615 PolarHBondContact OE2-NE 2.8Å; E488-R615 IonicContact OE2-NH2 3.19Å; E488-R615 PolarHBondContact OE2-NH2 2.86Å; Y491-R615 HydrophobicContact CD1-CG 3.78Å; Y491-R615 HydrophobicContact CD2-CB 4.23Å; Y491-R615 HydrophobicContact CD2-CG 4.22Å; Y491-R615 HydrophobicContact CE1-CB 4.19Å; Y491-R615 HydrophobicContact CE1-CG 3.7Å; Y491-R615 HydrophobicContact CE2-CB 3.84Å; Y491-R615 HydrophobicContact CE2-CG 4.13Å; Y491-R615 HydrophobicContact CG-CG 4.04Å; K611-R615 WeakPolarHBondContact O-CB 3.26Å; K611-R615 PolarHBondContact O-N 3.03Å; P612-R615 PolarHBondContact O-N 3.4Å; R615-T617 PolarHBondContact O-N 2.81Å; R615-K618 PolarHBondContact O-N 2.83Å; R615-Y619 HydrophobicContact CG-CE1 4.49Å; R615-Y619 HydrophobicContact CG-CE2 3.97Å; R615-Y619 WeakPolarHBondContact CG-OH 3.4Å; R615-Y619 PolarHBondContact NE-OH 3.21Å; R615-Y619 PolarHBondContact O-N 2.81Å
616	I	93.9	Very high	92.8	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-32.9	-178.1	-167.8	63.5	0	0	0	112.3	L566 Y569 P612 V613 Y619 M645 I648 V649	L566-I616 HydrophobicContact CD2-CD1 4.33Å; Y569-I616 HydrophobicContact CD1-CB 3.76Å; Y569-I616 HydrophobicContact CD1-CG1 4.31Å; Y569-I616 HydrophobicContact CD1-CG2 4.14Å; Y569-I616 HydrophobicContact CD2-CB 4.48Å; Y569-I616 HydrophobicContact CD2-CD1 3.76Å; Y569-I616 HydrophobicContact CD2-CG1 4.34Å; Y569-I616 HydrophobicContact CE1-CB 4.02Å; Y569-I616 HydrophobicContact CE2-CD1 4.13Å; Y569-I616 HydrophobicContact CG-CB 3.99Å; Y569-I616 HydrophobicContact CG-CD1 3.95Å; Y569-I616 HydrophobicContact CG-CG1 4.01Å; P612-I616 PolarHBondContact O-N 3.1Å; P612-I616 VanDerWaalsContact O-N 3.14Å; V613-I616 WeakPolarHBondContact O-CG2 3.13Å; I616-Y619 HydrophobicContact CD1-CD2 4.33Å; I616-M645 HydrophobicContact CD1-CE 3.55Å; I616-M645 HydrophobicContact CG1-CE 4.46Å; I616-I648 HydrophobicContact CD1-CG2 4.06Å; I616-I648 HydrophobicContact CG1-CG2 4.25Å; I616-V649 HydrophobicContact CG1-CG2 4.43Å
617	T	91.1	Very high	92.5	Very high	57 Å²	57	38.6 Å²	38.6	35%	0.35	19%	0.192	S	C	.	.	H	α-helix	trans	-80.6	-24.1	177	57.7	0	0	0	0	113.3	V613 Q614 R615 Q620 V649	V613-T617 PolarHBondContact O-OG1 2.83Å; Q614-T617 PolarHBondContact O-N 3.15Å; Q614-T617 PolarHBondContact O-OG1 3.41Å; R615-T617 PolarHBondContact O-N 2.81Å; T617-Q620 WeakPolarHBondContact O-CG 3.25Å; T617-V649 HydrophobicContact CG2-CG1 4.23Å; T617-V649 HydrophobicContact CG2-CG2 4.4Å
618	K	92.9	Very high	92.2	Very high	68 Å²	68	43.9 Å²	43.9	30%	0.296	21%	0.21	S	C	.	.	H	α-helix	trans	-71.4	-34.8	177.4	-167.6	176.8	-179.9	-171.2	0	112.4	E483 Q614 R615 Q620 L621 M622	E483-K618 IonicContact OE1-NZ 2.88Å; Q614-K618 PolarHBondContact O-N 3.48Å; Q614-K618 VanDerWaalsContact O-N 3.08Å; R615-K618 PolarHBondContact O-N 2.83Å; K618-Q620 PolarHBondContact O-N 3.2Å; K618-L621 WeakPolarHBondContact O-CB 3.39Å; K618-L621 PolarHBondContact O-N 2.93Å; K618-M622 HydrophobicContact CD-SD 4.24Å; K618-M622 HydrophobicContact CG-CG 4.18Å; K618-M622 HydrophobicContact CG-SD 4.12Å; K618-M622 PolarHBondContact O-N 2.74Å; K618-M622 VanDerWaalsContact O-N 3.13Å
619	Y	95.6	Very high	91.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-55.7	-46.4	-178.2	-68.9	-47.1	0	0	0	113.4	L484 E488 H537 F541 F559 L566 R615 I616 L621 M622 L623 M645	L484-Y619 HydrophobicContact CD1-CD1 3.89Å; L484-Y619 HydrophobicContact CD1-CE1 3.93Å; E488-Y619 PolarHBondContact OE2-OH 2.91Å; H537-Y619 PolarHBondContact CE1-OH 3.01Å; F541-Y619 AromaticContact CE1-CE1 3.93Å; F541-Y619 HydrophobicContact CE1-CE1 3.93Å; F541-Y619 HydrophobicContact CE1-CE2 4.36Å; F541-Y619 AromaticContact CE1-CZ 3.69Å; F559-Y619 AromaticContact CE1-CD1 3.69Å; F559-Y619 HydrophobicContact CE1-CD1 3.69Å; F559-Y619 HydrophobicContact CE1-CD2 4.19Å; F559-Y619 HydrophobicContact CE1-CE1 4.3Å; F559-Y619 AromaticContact CE1-CG 3.65Å; F559-Y619 HydrophobicContact CE1-CG 3.65Å; F559-Y619 AromaticContact CZ-CD1 3.67Å; F559-Y619 HydrophobicContact CZ-CD1 3.67Å; F559-Y619 HydrophobicContact CZ-CE1 4.23Å; F559-Y619 HydrophobicContact CZ-CG 4.1Å; L566-Y619 HydrophobicContact CD2-CE2 4.43Å; R615-Y619 HydrophobicContact CG-CE1 4.49Å; R615-Y619 HydrophobicContact CG-CE2 3.97Å; R615-Y619 WeakPolarHBondContact CG-OH 3.4Å; R615-Y619 PolarHBondContact NE-OH 3.21Å; R615-Y619 PolarHBondContact O-N 2.81Å; I616-Y619 HydrophobicContact CD1-CD2 4.33Å; Y619-L621 VanDerWaalsContact C-N 3.26Å; Y619-L621 PolarHBondContact O-N 2.84Å; Y619-M622 PolarHBondContact O-N 3.3Å; Y619-L623 VanDerWaalsContact O-CG 3.31Å; Y619-L623 WeakPolarHBondContact O-CG 3.44Å; Y619-L623 PolarHBondContact O-N 3.4Å; Y619-M645 HydrophobicContact CD2-CE 3.91Å; Y619-M645 HydrophobicContact CG-CE 4.37Å
620	Q	92.1	Very high	90.6	Very high	37 Å²	37	44.5 Å²	44.5	17%	0.173	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-32.1	177.3	57.1	166.8	36.9	0	0	113.1	T617 K618 K624 L642 M645	T617-Q620 WeakPolarHBondContact O-CG 3.25Å; K618-Q620 PolarHBondContact O-N 3.2Å; Q620-K624 VanDerWaalsContact O-CB 3.24Å; Q620-K624 WeakPolarHBondContact O-CB 3.33Å; Q620-K624 PolarHBondContact O-N 3.25Å; Q620-L642 HydrophobicContact CB-CD1 3.96Å; Q620-L642 VanDerWaalsContact O-CD1 3.23Å; Q620-L642 WeakPolarHBondContact O-CD1 3.46Å; Q620-M645 HydrophobicContact CB-CB 4.16Å
621	L	90.6	Very high	89.2	Confident	95 Å²	95	49 Å²	49	50%	0.497	24%	0.235	S	C	.	.	H	α-helix	trans	-70	-45.6	178.9	-59.4	179.3	0	0	0	110.2	K618 Y619 K624 E625	K618-L621 WeakPolarHBondContact O-CB 3.39Å; K618-L621 PolarHBondContact O-N 2.93Å; Y619-L621 VanDerWaalsContact C-N 3.26Å; Y619-L621 PolarHBondContact O-N 2.84Å; L621-K624 PolarHBondContact O-N 3.47Å; L621-E625 WeakPolarHBondContact O-CG 2.95Å; L621-E625 PolarHBondContact O-N 3.05Å
622	M	91.2	Very high	87.9	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.02	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-42.6	179.5	-59	-171.3	79.2	0	0	111.4	I480 E483 L484 K618 Y619 K624 E625 M626	I480-M622 HydrophobicContact CG2-CB 4.44Å; I480-M622 HydrophobicContact CG2-CE 4.24Å; E483-M622 HydrophobicContact CB-CE 4.17Å; E483-M622 HydrophobicContact CG-CE 4.29Å; L484-M622 HydrophobicContact CB-CE 3.6Å; L484-M622 HydrophobicContact CB-SD 4.16Å; L484-M622 HydrophobicContact CD1-CE 4.22Å; L484-M622 HydrophobicContact CD1-SD 3.58Å; L484-M622 VanDerWaalsContact CD1-SD 3.58Å; L484-M622 HydrophobicContact CG-SD 4.46Å; K618-M622 HydrophobicContact CD-SD 4.24Å; K618-M622 HydrophobicContact CG-CG 4.18Å; K618-M622 HydrophobicContact CG-SD 4.12Å; K618-M622 PolarHBondContact O-N 2.74Å; K618-M622 VanDerWaalsContact O-N 3.13Å; Y619-M622 PolarHBondContact O-N 3.3Å; M622-K624 VanDerWaalsContact C-N 3.34Å; M622-K624 PolarHBondContact O-N 2.91Å; M622-E625 PolarHBondContact O-N 3.26Å; M622-M626 VanDerWaalsContact O-CG 3.27Å; M622-M626 WeakPolarHBondContact O-CG 3.29Å; M622-M626 PolarHBondContact O-N 3.21Å
623	L	91.9	Very high	86.5	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-63.1	-39.6	175.1	-64.8	172.5	0	0	0	111.9	F559 Y619 M626 L627 L638 A641 L642 M645	F559-L623 HydrophobicContact CD1-CD1 4.32Å; F559-L623 HydrophobicContact CD2-CD1 4.35Å; F559-L623 HydrophobicContact CD2-CD2 3.91Å; F559-L623 HydrophobicContact CE1-CD1 4.45Å; F559-L623 HydrophobicContact CE2-CD2 3.84Å; F559-L623 HydrophobicContact CE2-CG 4.47Å; F559-L623 HydrophobicContact CG-CD1 4.27Å; F559-L623 HydrophobicContact CZ-CD2 4.45Å; Y619-L623 VanDerWaalsContact O-CG 3.31Å; Y619-L623 WeakPolarHBondContact O-CG 3.44Å; Y619-L623 PolarHBondContact O-N 3.4Å; L623-M626 HydrophobicContact CD2-SD 4.39Å; L623-M626 PolarHBondContact O-N 2.86Å; L623-L627 WeakPolarHBondContact O-CG 3.4Å; L623-L627 PolarHBondContact O-N 2.92Å; L623-L638 HydrophobicContact CB-CD1 4.46Å; L623-L638 HydrophobicContact CD2-CD1 3.53Å; L623-A641 HydrophobicContact CD1-CB 4.27Å; L623-L642 HydrophobicContact CB-CB 4.28Å; L623-L642 HydrophobicContact CB-CD1 4.24Å; L623-M645 HydrophobicContact CD1-CB 4.36Å; L623-M645 HydrophobicContact CD1-CG 3.65Å
624	K	90.4	Very high	85.4	Confident	111 Å²	111	57.3 Å²	57.3	48%	0.483	29%	0.29	S	S	.	.	H	α-helix	trans	-64	-39.4	175	-174.5	178.8	-177.5	179.7	0	112	Q620 L621 M622 L627 K628 L642	Q620-K624 VanDerWaalsContact O-CB 3.24Å; Q620-K624 WeakPolarHBondContact O-CB 3.33Å; Q620-K624 PolarHBondContact O-N 3.25Å; L621-K624 PolarHBondContact O-N 3.47Å; M622-K624 VanDerWaalsContact C-N 3.34Å; M622-K624 PolarHBondContact O-N 2.91Å; K624-L627 PolarHBondContact O-N 3.04Å; K624-K628 WeakPolarHBondContact O-CG 3.38Å; K624-K628 PolarHBondContact O-N 3.47Å; K624-L642 HydrophobicContact CB-CD1 4.26Å; K624-L642 HydrophobicContact CB-CD2 4.12Å; K624-L642 HydrophobicContact CG-CD2 4.46Å
625	E	88.4	Confident	85	Confident	93 Å²	93	55.5 Å²	55.5	44%	0.435	28%	0.282	S	S	.	.	H	α-helix	trans	-68.1	-41.5	175	-72	-176.8	138.8	0	0	112	I480 L621 M622 L627 K628	I480-E625 HydrophobicContact CD1-CB 4.05Å; L621-E625 WeakPolarHBondContact O-CG 2.95Å; L621-E625 PolarHBondContact O-N 3.05Å; M622-E625 PolarHBondContact O-N 3.26Å; E625-L627 VanDerWaalsContact C-N 3.31Å; E625-L627 PolarHBondContact O-N 3.45Å; E625-K628 WeakPolarHBondContact O-CB 3.44Å; E625-K628 PolarHBondContact O-N 3.33Å
626	M	88.1	Confident	84.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-41.2	173.4	-71.3	178.3	-168	0	0	111.8	F477 I480 I481 L484 I555 M622 L623 K628 C629 S630 L638	F477-M626 HydrophobicContact CD2-CB 4.08Å; F477-M626 HydrophobicContact CD2-CG 4.46Å; F477-M626 WeakPolarHBondContact CD2-O 3.49Å; F477-M626 HydrophobicContact CE2-CB 3.76Å; F477-M626 HydrophobicContact CE2-CG 4.3Å; I480-M626 HydrophobicContact CB-CE 4.27Å; I480-M626 HydrophobicContact CB-CG 4.05Å; I480-M626 HydrophobicContact CD1-CG 4.44Å; I480-M626 HydrophobicContact CG2-CE 3.62Å; I480-M626 HydrophobicContact CG2-CG 3.65Å; I481-M626 HydrophobicContact CB-CE 4.36Å; I481-M626 HydrophobicContact CG1-CE 3.59Å; I481-M626 HydrophobicContact CG1-SD 4.01Å; L484-M626 HydrophobicContact CB-CE 4.21Å; L484-M626 HydrophobicContact CD2-CE 3.85Å; I555-M626 HydrophobicContact CG1-SD 4.23Å; I555-M626 HydrophobicContact CG2-SD 4.33Å; M622-M626 VanDerWaalsContact O-CG 3.27Å; M622-M626 WeakPolarHBondContact O-CG 3.29Å; M622-M626 PolarHBondContact O-N 3.21Å; L623-M626 HydrophobicContact CD2-SD 4.39Å; L623-M626 PolarHBondContact O-N 2.86Å; M626-K628 PolarHBondContact O-N 3.39Å; M626-C629 CarbonylContact O-C 3.58Å; M626-C629 PolarHBondContact O-N 3.04Å; M626-C629 VanDerWaalsContact O-N 3.12Å; M626-S630 PolarHBondContact O-N 3.37Å; M626-L638 HydrophobicContact CB-CD2 3.94Å
627	L	87.7	Confident	84.4	Confident	29 Å²	29	61.3 Å²	61.3	15%	0.152	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-36.6	177.1	-80.4	167.4	0	0	0	113.6	L623 K624 E625 C629 S630 M635 L638 E639 L642	L623-L627 WeakPolarHBondContact O-CG 3.4Å; L623-L627 PolarHBondContact O-N 2.92Å; K624-L627 PolarHBondContact O-N 3.04Å; E625-L627 VanDerWaalsContact C-N 3.31Å; E625-L627 PolarHBondContact O-N 3.45Å; L627-C629 PolarHBondContact O-N 3.47Å; L627-C629 VanDerWaalsContact O-N 3.16Å; L627-S630 PolarHBondContact O-N 3.4Å; L627-M635 HydrophobicContact CD2-CG 4.28Å; L627-L638 HydrophobicContact CD1-CG 4.46Å; L627-L638 HydrophobicContact CD2-CB 4.01Å; L627-L638 HydrophobicContact CD2-CD2 3.64Å; L627-L638 HydrophobicContact CD2-CG 3.7Å; L627-L638 HydrophobicContact CG-CD2 3.72Å; L627-L638 HydrophobicContact CG-CG 3.74Å; L627-E639 HydrophobicContact CD1-CG 4.09Å; L627-E639 HydrophobicContact CD2-CG 3.54Å; L627-E639 HydrophobicContact CG-CG 4.49Å; L627-L642 HydrophobicContact CD1-CB 4.03Å; L627-L642 HydrophobicContact CD1-CD2 3.51Å; L627-L642 HydrophobicContact CD1-CG 4.4Å
628	K	85.4	Confident	84.4	Confident	137 Å²	137	58.7 Å²	58.7	60%	0.596	31%	0.305	S	S	*	.	H	α-helix	trans	-61.1	-24.8	176.1	-69.3	174.2	-179.1	-178	0	112.2	K624 E625 M626	K624-K628 WeakPolarHBondContact O-CG 3.38Å; K624-K628 PolarHBondContact O-N 3.47Å; E625-K628 WeakPolarHBondContact O-CB 3.44Å; E625-K628 PolarHBondContact O-N 3.33Å; M626-K628 PolarHBondContact O-N 3.39Å
629	C	80.6	Confident	84.3	Confident	19 Å²	19	60.5 Å²	60.5	13%	0.128	31%	0.314	C	S	.	.	H	α-helix	trans	-111.1	-4.1	-174.6	-55.2	0	0	0	0	113.5	C473 L476 M626 L627	C473-C629 VanDerWaalsContact SG-C 3.57Å; C473-C629 VanDerWaalsContact SG-CA 3.54Å; C473-C629 PolarHBondContact SG-O 3.31Å; L476-C629 WeakPolarHBondContact CD2-SG 3.44Å; M626-C629 CarbonylContact O-C 3.58Å; M626-C629 PolarHBondContact O-N 3.04Å; M626-C629 VanDerWaalsContact O-N 3.12Å; L627-C629 PolarHBondContact O-N 3.47Å; L627-C629 VanDerWaalsContact O-N 3.16Å
630	S	74.6	Confident	84.3	Confident	18 Å²	18	66 Å²	66	13%	0.126	34%	0.339	C	S	.	.			trans	-85.2	134.3	178.5	-173.3	0	0	0	0	111.5	M626 L627	M626-S630 PolarHBondContact O-N 3.37Å; L627-S630 PolarHBondContact O-N 3.4Å
631	K	65.8	Low	84.4	Confident	153 Å²	153	64.2 Å²	64.2	67%	0.665	33%	0.332	S	S	*	.			trans	-144	75.6	172.3	-65.4	-175.4	-175.5	173.7	0	108.7
632	G	66.2	Low	84.6	Confident	49 Å²	49	61 Å²	61	51%	0.505	32%	0.315	S	S	.	.	S	Bend	trans	170.5	-161	-177.3	0	0	0	0	0	115.1	M635	G632-M635 WeakPolarHBondContact O-CB 3.42Å
633	E	66.4	Low	84.7	Confident	184 Å²	184	63 Å²	63	86%	0.86	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	146.8	176.1	-65.5	-178.6	159.5	0	0	111.6	M635	E633-M635 VanDerWaalsContact C-N 3.35Å
634	G	71.5	Confident	84.8	Confident	19 Å²	19	64.2 Å²	64.2	20%	0.196	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-1.6	-176.8	0	0	0	0	0	115.3	E637 L638	G634-E637 VanDerWaalsContact CA-OE2 3.28Å; G634-E637 WeakPolarHBondContact CA-OE2 3.47Å; G634-L638 VanDerWaalsContact O-CB 3.27Å; G634-L638 WeakPolarHBondContact O-CB 3.21Å; G634-L638 PolarHBondContact O-N 2.99Å
635	M	83.6	Confident	85	Confident	73 Å²	73	58.9 Å²	58.9	36%	0.36	32%	0.316	S	S	.	.	H	α-helix	trans	-65.9	-40.3	179.9	-172.4	-175.3	-157.8	0	0	112.7	L627 G632 E633 L638 E639	L627-M635 HydrophobicContact CD2-CG 4.28Å; G632-M635 WeakPolarHBondContact O-CB 3.42Å; E633-M635 VanDerWaalsContact C-N 3.35Å; M635-L638 PolarHBondContact O-N 2.97Å; M635-E639 WeakPolarHBondContact O-CG 3.44Å; M635-E639 PolarHBondContact O-N 3.48Å
636	A	86	Confident	85.1	Confident	64 Å²	64	58.4 Å²	58.4	53%	0.529	32%	0.316	S	S	.	.	H	α-helix	trans	-65.6	-44.2	-179.4	0	0	0	0	0	111.1	L638 E639 E640	A636-L638 VanDerWaalsContact C-N 3.28Å; A636-L638 PolarHBondContact O-N 3.33Å; A636-E639 PolarHBondContact O-N 2.92Å; A636-E640 WeakPolarHBondContact O-CB 3.47Å; A636-E640 PolarHBondContact O-N 3.18Å
637	E	91.4	Very high	85.2	Confident	77 Å²	77	63.3 Å²	63.3	36%	0.36	34%	0.342	S	S	.	.	H	α-helix	trans	-64.1	-35.6	175.4	-64.5	80.2	178.5	0	0	111.3	L560 G634 A641	L560-E637 HydrophobicContact CD1-CB 4.31Å; G634-E637 VanDerWaalsContact CA-OE2 3.28Å; G634-E637 WeakPolarHBondContact CA-OE2 3.47Å; E637-A641 WeakPolarHBondContact O-CB 3.41Å; E637-A641 PolarHBondContact O-N 2.96Å
638	L	91.7	Very high	85.3	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-71.2	-39.3	176.7	-174.4	64.2	0	0	0	112.5	F477 I555 L623 M626 L627 G634 M635 A636 A641 L642	F477-L638 HydrophobicContact CE2-CD2 4.02Å; F477-L638 HydrophobicContact CZ-CD2 4.48Å; I555-L638 HydrophobicContact CG2-CD1 4.03Å; L623-L638 HydrophobicContact CB-CD1 4.46Å; L623-L638 HydrophobicContact CD2-CD1 3.53Å; M626-L638 HydrophobicContact CB-CD2 3.94Å; L627-L638 HydrophobicContact CD1-CG 4.46Å; L627-L638 HydrophobicContact CD2-CB 4.01Å; L627-L638 HydrophobicContact CD2-CD2 3.64Å; L627-L638 HydrophobicContact CD2-CG 3.7Å; L627-L638 HydrophobicContact CG-CD2 3.72Å; L627-L638 HydrophobicContact CG-CG 3.74Å; G634-L638 VanDerWaalsContact O-CB 3.27Å; G634-L638 WeakPolarHBondContact O-CB 3.21Å; G634-L638 PolarHBondContact O-N 2.99Å; M635-L638 PolarHBondContact O-N 2.97Å; A636-L638 VanDerWaalsContact C-N 3.28Å; A636-L638 PolarHBondContact O-N 3.33Å; L638-A641 PolarHBondContact O-N 3.16Å; L638-L642 PolarHBondContact O-N 2.91Å
639	E	91.9	Very high	85.5	Confident	105 Å²	105	57 Å²	57	49%	0.491	32%	0.316	S	S	.	.	H	α-helix	trans	-63.8	-44.3	172.5	-74.2	-179.4	174.5	0	0	111.4	L627 M635 A636 L642 A643	L627-E639 HydrophobicContact CD1-CG 4.09Å; L627-E639 HydrophobicContact CD2-CG 3.54Å; L627-E639 HydrophobicContact CG-CG 4.49Å; M635-E639 WeakPolarHBondContact O-CG 3.44Å; M635-E639 PolarHBondContact O-N 3.48Å; A636-E639 PolarHBondContact O-N 2.92Å; E639-L642 PolarHBondContact O-N 3.43Å; E639-A643 PolarHBondContact O-N 3.27Å
640	E	93.9	Very high	85.8	Confident	115 Å²	115	62 Å²	62	54%	0.537	34%	0.336	S	S	.	.	H	α-helix	trans	-65.9	-39.1	176.4	-166.8	-177.1	176.6	0	0	111.7	L560 A636 A643 T644	L560-E640 HydrophobicContact CD1-CB 4.2Å; L560-E640 HydrophobicContact CD1-CG 4.31Å; L560-E640 HydrophobicContact CD2-CB 4.22Å; L560-E640 HydrophobicContact CD2-CG 3.83Å; A636-E640 WeakPolarHBondContact O-CB 3.47Å; A636-E640 PolarHBondContact O-N 3.18Å; E640-A643 PolarHBondContact O-N 3.29Å; E640-T644 WeakPolarHBondContact O-CB 3Å; E640-T644 PolarHBondContact O-N 3.15Å; E640-T644 PolarHBondContact O-OG1 3.39Å
641	A	94.9	Very high	86.3	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.008	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-43.4	173.8	0	0	0	0	0	111.6	F559 L560 L623 E637 L638 T644 M645	F559-A641 HydrophobicContact CB-CB 3.92Å; L560-A641 HydrophobicContact CD2-CB 4.41Å; L560-A641 HydrophobicContact CG-CB 4.22Å; L623-A641 HydrophobicContact CD1-CB 4.27Å; E637-A641 WeakPolarHBondContact O-CB 3.41Å; E637-A641 PolarHBondContact O-N 2.96Å; L638-A641 PolarHBondContact O-N 3.16Å; A641-T644 PolarHBondContact O-N 2.89Å; A641-M645 WeakPolarHBondContact O-CG 3.22Å; A641-M645 PolarHBondContact O-N 3.22Å
642	L	95	Very high	87.2	Confident	27 Å²	27	56.5 Å²	56.5	14%	0.141	32%	0.316	C	S	.	.	H	α-helix	trans	-61	-47.2	175.1	174	60.9	0	0	0	111.2	Q620 L623 K624 L627 L638 E639 T644 M645 L646	Q620-L642 HydrophobicContact CB-CD1 3.96Å; Q620-L642 VanDerWaalsContact O-CD1 3.23Å; Q620-L642 WeakPolarHBondContact O-CD1 3.46Å; L623-L642 HydrophobicContact CB-CB 4.28Å; L623-L642 HydrophobicContact CB-CD1 4.24Å; K624-L642 HydrophobicContact CB-CD1 4.26Å; K624-L642 HydrophobicContact CB-CD2 4.12Å; K624-L642 HydrophobicContact CG-CD2 4.46Å; L627-L642 HydrophobicContact CD1-CB 4.03Å; L627-L642 HydrophobicContact CD1-CD2 3.51Å; L627-L642 HydrophobicContact CD1-CG 4.4Å; L638-L642 PolarHBondContact O-N 2.91Å; E639-L642 PolarHBondContact O-N 3.43Å; L642-T644 VanDerWaalsContact C-N 3.3Å; L642-T644 PolarHBondContact O-N 3.48Å; L642-M645 PolarHBondContact O-N 3.38Å; L642-L646 HydrophobicContact CD1-CD1 4Å; L642-L646 HydrophobicContact CD1-CG 4.22Å; L642-L646 HydrophobicContact CG-CD1 3.9Å; L642-L646 WeakPolarHBondContact O-CG 3.23Å; L642-L646 PolarHBondContact O-N 3.36Å
643	A	92.9	Very high	87.8	Confident	47 Å²	47	57.3 Å²	57.3	39%	0.388	31%	0.309	S	S	.	.	H	α-helix	trans	-58.9	-43.3	176.8	0	0	0	0	0	111.4	E639 E640 M645 L646 D647	E639-A643 PolarHBondContact O-N 3.27Å; E640-A643 PolarHBondContact O-N 3.29Å; A643-M645 PolarHBondContact O-N 3.48Å; A643-L646 PolarHBondContact O-N 3.4Å; A643-D647 WeakPolarHBondContact O-CB 3.15Å; A643-D647 PolarHBondContact O-N 3.09Å
644	T	93.8	Very high	88.4	Confident	25 Å²	25	51.6 Å²	51.6	15%	0.153	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-45.2	176.7	-59.3	0	0	0	0	111.7	L560 K563 E640 A641 L642 D647 I648	L560-T644 WeakPolarHBondContact CD2-OG1 3.49Å; K563-T644 HydrophobicContact CB-CG2 3.69Å; K563-T644 HydrophobicContact CD-CG2 4.37Å; E640-T644 WeakPolarHBondContact O-CB 3Å; E640-T644 PolarHBondContact O-N 3.15Å; E640-T644 PolarHBondContact O-OG1 3.39Å; A641-T644 PolarHBondContact O-N 2.89Å; L642-T644 VanDerWaalsContact C-N 3.3Å; L642-T644 PolarHBondContact O-N 3.48Å; T644-D647 PolarHBondContact O-N 3.29Å; T644-I648 HydrophobicContact CG2-CD1 4.1Å; T644-I648 VanDerWaalsContact O-CG1 3.3Å; T644-I648 WeakPolarHBondContact O-CG1 3.48Å; T644-I648 PolarHBondContact O-N 3.21Å
645	M	95.4	Very high	88.5	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.3	-39.4	177.9	-69	-48.3	-53.2	0	0	112.5	F559 L566 I616 Y619 Q620 L623 A641 L642 A643 D647 I648 V649	F559-M645 HydrophobicContact CD1-CG 4.03Å; F559-M645 HydrophobicContact CD1-SD 3.72Å; F559-M645 HydrophobicContact CE1-CG 4.47Å; F559-M645 HydrophobicContact CE1-SD 4.25Å; L566-M645 HydrophobicContact CD1-CE 4.32Å; L566-M645 HydrophobicContact CD1-SD 3.76Å; I616-M645 HydrophobicContact CD1-CE 3.55Å; I616-M645 HydrophobicContact CG1-CE 4.46Å; Y619-M645 HydrophobicContact CD2-CE 3.91Å; Y619-M645 HydrophobicContact CG-CE 4.37Å; Q620-M645 HydrophobicContact CB-CB 4.16Å; L623-M645 HydrophobicContact CD1-CB 4.36Å; L623-M645 HydrophobicContact CD1-CG 3.65Å; A641-M645 WeakPolarHBondContact O-CG 3.22Å; A641-M645 PolarHBondContact O-N 3.22Å; L642-M645 PolarHBondContact O-N 3.38Å; A643-M645 PolarHBondContact O-N 3.48Å; M645-D647 VanDerWaalsContact C-N 3.33Å; M645-I648 HydrophobicContact CE-CD1 4.36Å; M645-I648 PolarHBondContact O-N 2.99Å; M645-I648 HydrophobicContact SD-CD1 4.01Å; M645-V649 WeakPolarHBondContact O-CG2 3.09Å; M645-V649 PolarHBondContact O-N 2.94Å
646	L	90	Very high	88	Confident	82 Å²	82	51.1 Å²	51.1	43%	0.429	28%	0.278	S	S	.	.	H	α-helix	trans	-60.3	-43.6	173.3	-77.8	161.5	0	0	0	111.3	L642 A643 V649 K650	L642-L646 HydrophobicContact CD1-CD1 4Å; L642-L646 HydrophobicContact CD1-CG 4.22Å; L642-L646 HydrophobicContact CG-CD1 3.9Å; L642-L646 WeakPolarHBondContact O-CG 3.23Å; L642-L646 PolarHBondContact O-N 3.36Å; A643-L646 PolarHBondContact O-N 3.4Å; L646-V649 PolarHBondContact O-N 2.89Å; L646-K650 VanDerWaalsContact O-CB 3.25Å; L646-K650 WeakPolarHBondContact O-CB 3.5Å; L646-K650 PolarHBondContact O-N 3.36Å
647	D	90.8	Very high	86.7	Confident	104 Å²	104	52.7 Å²	52.7	56%	0.556	28%	0.275	S	S	*	.	H	α-helix	trans	-66	-38.6	177.1	-80.6	-17.7	0	0	0	112.2	A643 T644 M645 K650 S651	A643-D647 WeakPolarHBondContact O-CB 3.15Å; A643-D647 PolarHBondContact O-N 3.09Å; T644-D647 PolarHBondContact O-N 3.29Å; M645-D647 VanDerWaalsContact C-N 3.33Å; D647-K650 PolarHBondContact O-N 3.25Å; D647-S651 VanDerWaalsContact O-CB 3.22Å; D647-S651 WeakPolarHBondContact O-CB 3.36Å; D647-S651 PolarHBondContact O-N 3.1Å
648	I	89.6	Confident	84.9	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.015	29%	0.285	C	S	.	.	H	α-helix	trans	-62.2	-51	173.6	-68.4	167.2	0	0	0	110.1	L566 I616 T644 M645 K650 S651 V652	L566-I648 HydrophobicContact CB-CD1 3.98Å; L566-I648 HydrophobicContact CD1-CD1 4.4Å; I616-I648 HydrophobicContact CD1-CG2 4.06Å; I616-I648 HydrophobicContact CG1-CG2 4.25Å; T644-I648 HydrophobicContact CG2-CD1 4.1Å; T644-I648 VanDerWaalsContact O-CG1 3.3Å; T644-I648 WeakPolarHBondContact O-CG1 3.48Å; T644-I648 PolarHBondContact O-N 3.21Å; M645-I648 HydrophobicContact CE-CD1 4.36Å; M645-I648 PolarHBondContact O-N 2.99Å; M645-I648 HydrophobicContact SD-CD1 4.01Å; I648-K650 VanDerWaalsContact C-N 3.29Å; I648-K650 PolarHBondContact O-N 3.07Å; I648-S651 PolarHBondContact O-N 2.78Å; I648-V652 HydrophobicContact CG2-CG2 4.29Å; I648-V652 WeakPolarHBondContact O-CB 3.38Å; I648-V652 WeakPolarHBondContact O-CG2 3.32Å; I648-V652 PolarHBondContact O-N 2.66Å
649	V	88.9	Confident	82.8	Confident	29 Å²	29	58.4 Å²	58.4	18%	0.176	30%	0.303	C	S	.	.	H	α-helix	trans	-59.6	-42.3	179.4	171.1	0	0	0	0	111	I616 T617 M645 L646 N653	I616-V649 HydrophobicContact CG1-CG2 4.43Å; T617-V649 HydrophobicContact CG2-CG1 4.23Å; T617-V649 HydrophobicContact CG2-CG2 4.4Å; M645-V649 WeakPolarHBondContact O-CG2 3.09Å; M645-V649 PolarHBondContact O-N 2.94Å; L646-V649 PolarHBondContact O-N 2.89Å; V649-N653 WeakPolarHBondContact O-CB 3.41Å; V649-N653 PolarHBondContact O-N 3.16Å
650	K	86.6	Confident	80.4	Confident	124 Å²	124	56.9 Å²	56.9	54%	0.539	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-46.6	175.8	-177.1	-178.3	175.2	-172.6	0	111.9	L646 D647 I648 V652 N653 D654	L646-K650 VanDerWaalsContact O-CB 3.25Å; L646-K650 WeakPolarHBondContact O-CB 3.5Å; L646-K650 PolarHBondContact O-N 3.36Å; D647-K650 PolarHBondContact O-N 3.25Å; I648-K650 VanDerWaalsContact C-N 3.29Å; I648-K650 PolarHBondContact O-N 3.07Å; K650-V652 PolarHBondContact O-N 2.96Å; K650-N653 PolarHBondContact O-N 3.42Å; K650-D654 WeakPolarHBondContact O-CB 3.38Å; K650-D654 VanDerWaalsContact O-CG 3.31Å; K650-D654 PolarHBondContact O-N 3.03Å
651	S	85.8	Confident	77.5	Confident	47 Å²	47	56.7 Å²	56.7	33%	0.329	31%	0.31	S	S	.	.	H	α-helix	trans	-58.7	-47.4	177.4	-175.4	0	0	0	0	111.2	D647 I648 N653 D654 S655	D647-S651 VanDerWaalsContact O-CB 3.22Å; D647-S651 WeakPolarHBondContact O-CB 3.36Å; D647-S651 PolarHBondContact O-N 3.1Å; I648-S651 PolarHBondContact O-N 2.78Å; S651-N653 VanDerWaalsContact C-N 3.33Å; S651-N653 PolarHBondContact O-N 3.48Å; S651-D654 PolarHBondContact O-N 3.23Å; S651-S655 WeakPolarHBondContact O-CB 3.4Å; S651-S655 PolarHBondContact O-N 2.99Å
652	V	85.1	Confident	74.5	Confident	10 Å²	10	61.4 Å²	61.4	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-56.8	-48.1	175.5	172.8	0	0	0	0	110.6	E570 C573 I648 K650 S655 M656	E570-V652 HydrophobicContact CB-CG2 4.13Å; C573-V652 HydrophobicContact CB-CG1 3.43Å; C573-V652 VanDerWaalsContact CB-CG1 3.43Å; I648-V652 HydrophobicContact CG2-CG2 4.29Å; I648-V652 WeakPolarHBondContact O-CB 3.38Å; I648-V652 WeakPolarHBondContact O-CG2 3.32Å; I648-V652 PolarHBondContact O-N 2.66Å; K650-V652 PolarHBondContact O-N 2.96Å; V652-S655 PolarHBondContact O-N 3.47Å; V652-M656 HydrophobicContact CG1-SD 4.45Å; V652-M656 VanDerWaalsContact O-CG 3.31Å; V652-M656 WeakPolarHBondContact O-CG 3.33Å; V652-M656 PolarHBondContact O-N 3.38Å
653	N	79.4	Confident	71.6	Confident	65 Å²	65	63.5 Å²	63.5	35%	0.348	37%	0.366	S	S	.	.	H	α-helix	trans	-64	-47.5	179.3	-174.4	63.6	0	0	0	112.2	V649 K650 S651 S655 M656 H657	V649-N653 WeakPolarHBondContact O-CB 3.41Å; V649-N653 PolarHBondContact O-N 3.16Å; K650-N653 PolarHBondContact O-N 3.42Å; S651-N653 VanDerWaalsContact C-N 3.33Å; S651-N653 PolarHBondContact O-N 3.48Å; N653-S655 VanDerWaalsContact C-N 3.32Å; N653-S655 PolarHBondContact O-N 3.44Å; N653-M656 PolarHBondContact O-N 3.37Å; N653-H657 PolarHBondContact O-N 3.02Å; N653-H657 VanDerWaalsContact O-N 3.11Å; N653-H657 PolarHBondContact O-ND1 2.95Å; N653-H657 PolarHBondContact OD1-CE1 3.33Å; N653-H657 VanDerWaalsContact OD1-CE1 3.26Å
654	D	78.4	Confident	68.5	Low	64 Å²	64	69.9 Å²	69.9	34%	0.342	39%	0.386	S	S	.	.	H	α-helix	trans	-62.5	-40.6	178.8	-73.5	-13	0	0	0	111.2	K650 S651 H657 Q658	K650-D654 WeakPolarHBondContact O-CB 3.38Å; K650-D654 VanDerWaalsContact O-CG 3.31Å; K650-D654 PolarHBondContact O-N 3.03Å; S651-D654 PolarHBondContact O-N 3.23Å; D654-H657 PolarHBondContact O-N 3.14Å; D654-Q658 WeakPolarHBondContact O-CB 3.33Å; D654-Q658 WeakPolarHBondContact O-CG 3.37Å; D654-Q658 PolarHBondContact O-N 3.12Å
655	S	74	Confident	67.3	Low	15 Å²	15	72.1 Å²	72.1	11%	0.105	40%	0.397	C	S	.	.	H	α-helix	trans	-65.8	-41.1	178.6	-165.9	0	0	0	0	112.1	E570 Q574 S651 V652 N653 H657 Q658 I659	E570-S655 WeakPolarHBondContact OE1-CB 3.48Å; E570-S655 PolarHBondContact OE1-OG 2.97Å; Q574-S655 PolarHBondContact NE2-OG 2.93Å; S651-S655 WeakPolarHBondContact O-CB 3.4Å; S651-S655 PolarHBondContact O-N 2.99Å; V652-S655 PolarHBondContact O-N 3.47Å; N653-S655 VanDerWaalsContact C-N 3.32Å; N653-S655 PolarHBondContact O-N 3.44Å; S655-H657 VanDerWaalsContact C-N 3.35Å; S655-H657 PolarHBondContact O-N 3.39Å; S655-Q658 PolarHBondContact O-N 3.23Å; S655-I659 WeakPolarHBondContact O-CG1 3.46Å; S655-I659 PolarHBondContact O-N 3.28Å; S655-I659 VanDerWaalsContact O-N 3.07Å
656	M	71.9	Confident	65.8	Low	67 Å²	67	75.9 Å²	75.9	33%	0.33	42%	0.418	S	S	.	.	H	α-helix	trans	-59.9	-42.2	171.2	-74.1	-177.6	67.6	0	0	112.4	C573 P577 V652 N653 A660	C573-M656 HydrophobicContact CB-CG 4.33Å; C573-M656 HydrophobicContact CB-SD 3.74Å; P577-M656 HydrophobicContact CG-CE 4.45Å; V652-M656 HydrophobicContact CG1-SD 4.45Å; V652-M656 VanDerWaalsContact O-CG 3.31Å; V652-M656 WeakPolarHBondContact O-CG 3.33Å; V652-M656 PolarHBondContact O-N 3.38Å; N653-M656 PolarHBondContact O-N 3.37Å; M656-A660 PolarHBondContact O-N 3.46Å
657	H	59.9	Low	64.4	Low	97 Å²	97	75.6 Å²	75.6	45%	0.449	42%	0.418	S	S	.	.	H	α-helix	trans	-70.9	-36.1	177.7	-72.4	78.1	0	0	0	112.3	N653 D654 S655 A660 I661	N653-H657 PolarHBondContact O-N 3.02Å; N653-H657 VanDerWaalsContact O-N 3.11Å; N653-H657 PolarHBondContact O-ND1 2.95Å; N653-H657 PolarHBondContact OD1-CE1 3.33Å; N653-H657 VanDerWaalsContact OD1-CE1 3.26Å; D654-H657 PolarHBondContact O-N 3.14Å; S655-H657 VanDerWaalsContact C-N 3.35Å; S655-H657 PolarHBondContact O-N 3.39Å; H657-A660 PolarHBondContact O-N 3.17Å; H657-I661 WeakPolarHBondContact O-CD1 3.41Å; H657-I661 VanDerWaalsContact O-CG1 3.24Å; H657-I661 WeakPolarHBondContact O-CG1 3.41Å; H657-I661 PolarHBondContact O-N 3.4Å; H657-I661 VanDerWaalsContact O-N 3.17Å
658	Q	52.6	Low	62.9	Low	124 Å²	124	73.9 Å²	73.9	58%	0.579	41%	0.409	S	S	*	.	H	α-helix	trans	-65.9	-37	176.3	-77.5	-175.7	22.2	0	0	112.6	D654 S655 I661 T662	D654-Q658 WeakPolarHBondContact O-CB 3.33Å; D654-Q658 WeakPolarHBondContact O-CG 3.37Å; D654-Q658 PolarHBondContact O-N 3.12Å; S655-Q658 PolarHBondContact O-N 3.23Å; Q658-I661 CarbonylContact O-C 3.6Å; Q658-I661 PolarHBondContact O-N 3.17Å; Q658-I661 VanDerWaalsContact O-N 3.12Å; Q658-T662 WeakPolarHBondContact O-CB 3.25Å; Q658-T662 WeakPolarHBondContact O-CG2 3.49Å; Q658-T662 PolarHBondContact O-N 3.49Å; Q658-T662 PolarHBondContact O-OG1 3.03Å
659	I	48.3	Very low	61.2	Low	76 Å²	76	78.3 Å²	78.3	39%	0.39	43%	0.434	S	S	.	.	H	α-helix	trans	-67.5	-38.5	176	-69.5	168.3	0	0	0	111.3	Q574 S655 I661 T662 G663	Q574-I659 HydrophobicContact CB-CD1 3.82Å; Q574-I659 VanDerWaalsContact CD-CD1 3.44Å; Q574-I659 HydrophobicContact CG-CD1 3.43Å; Q574-I659 VanDerWaalsContact CG-CD1 3.43Å; S655-I659 WeakPolarHBondContact O-CG1 3.46Å; S655-I659 PolarHBondContact O-N 3.28Å; S655-I659 VanDerWaalsContact O-N 3.07Å; I659-I661 PolarHBondContact O-N 3.45Å; I659-T662 WeakPolarHBondContact CA-OG1 3.47Å; I659-T662 PolarHBondContact O-N 3.4Å; I659-G663 PolarHBondContact O-N 3.18Å
660	A	40.3	Very low	59.4	Low	72 Å²	72	81.6 Å²	81.6	60%	0.595	45%	0.451	S	S	*	.	H	α-helix	trans	-62.4	-25.8	171.7	0	0	0	0	0	112.8	M656 H657	M656-A660 PolarHBondContact O-N 3.46Å; H657-A660 PolarHBondContact O-N 3.17Å
661	I	34.1	Very low	57.4	Low	112 Å²	112	78.6 Å²	78.6	57%	0.574	45%	0.445	S	S	*	.	H	α-helix	trans	-91.6	-21.4	177.7	-65.3	164.9	0	0	0	112.9	H657 Q658 I659 F664	H657-I661 WeakPolarHBondContact O-CD1 3.41Å; H657-I661 VanDerWaalsContact O-CG1 3.24Å; H657-I661 WeakPolarHBondContact O-CG1 3.41Å; H657-I661 PolarHBondContact O-N 3.4Å; H657-I661 VanDerWaalsContact O-N 3.17Å; Q658-I661 CarbonylContact O-C 3.6Å; Q658-I661 PolarHBondContact O-N 3.17Å; Q658-I661 VanDerWaalsContact O-N 3.12Å; I659-I661 PolarHBondContact O-N 3.45Å; I661-F664 WeakPolarHBondContact O-CD2 3.42Å; I661-F664 VanDerWaalsContact O-CE2 3.24Å; I661-F664 WeakPolarHBondContact O-CE2 3.37Å
662	T	32.6	Very low	55.3	Low	100 Å²	100	81 Å²	81	61%	0.613	45%	0.454	S	S	*	.	H	α-helix	trans	-110.5	-8.7	-174.6	53.6	0	0	0	0	114.4	Q658 I659 F664	Q658-T662 WeakPolarHBondContact O-CB 3.25Å; Q658-T662 WeakPolarHBondContact O-CG2 3.49Å; Q658-T662 PolarHBondContact O-N 3.49Å; Q658-T662 PolarHBondContact O-OG1 3.03Å; I659-T662 WeakPolarHBondContact CA-OG1 3.47Å; I659-T662 PolarHBondContact O-N 3.4Å; T662-F664 PolarHBondContact O-N 3.37Å
663	G	34.1	Very low	52.8	Low	70 Å²	70	86.9 Å²	86.9	72%	0.722	49%	0.487	S	S	*	.			trans	-69	30	171.5	0	0	0	0	0	115.7	I659	I659-G663 PolarHBondContact O-N 3.18Å
664	F	27.9	Very low	50.4	Low	181 Å²	181	88.9 Å²	88.9	79%	0.794	50%	0.499	S	S	*	.			trans	-99.5	0	178.5	-69	-65.4	0	0	0	113.9	L172 I661 T662	L172-F664 HydrophobicContact CD2-CD1 4.2Å; L172-F664 HydrophobicContact CD2-CE1 3.17Å; L172-F664 HydrophobicContact CD2-CZ 3.4Å; L172-F664 HydrophobicContact CG-CE1 4.45Å; I661-F664 WeakPolarHBondContact O-CD2 3.42Å; I661-F664 VanDerWaalsContact O-CE2 3.24Å; I661-F664 WeakPolarHBondContact O-CE2 3.37Å; T662-F664 PolarHBondContact O-N 3.37Å

Retrieved 664 of 664 residues in 129 ms (Link to these results)

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