A0A096MW60_PAPAN Loading...

Phosphate transporter

Sodium-phosphate symporter which preferentially transports the monovalent form of phosphate with a stoichiometry of two sodium ions per phosphate ion. May play a role in extracellular matrix and cartilage calcification as well as in vascular calcification. Essential for cell proliferation but this function is independent of its phosphate transporter activity.

AlphaFold DB , UniProt , Accession A0A096MW60, Species PAPAN (Papio anubis, Olive baboon), Gene SLC20A1, Length 669 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	39.4	Very low	238 Å²	238	136.3 Å²	136.3	100%	1.172	84%	0.843	S	S	*	*				0	104.6	0	-55.6	178.9	-169.5	0	0	105.3
2	A	37.3	Very low	39.5	Very low	94 Å²	94	136.9 Å²	136.9	78%	0.777	85%	0.847	S	S	*	*			cis	64.5	137.4	31.6	0	0	0	0	0	112.9
3	T	38.8	Very low	39.7	Very low	130 Å²	130	132.4 Å²	132.4	80%	0.798	83%	0.831	S	S	*	*			trans	83.5	72.8	-172.5	-47.1	0	0	0	0	115.8
4	L	36.2	Very low	39.9	Very low	165 Å²	165	129.1 Å²	129.1	86%	0.864	82%	0.823	S	S	*	*			trans	-161.4	30.3	158.3	-122.2	167.7	0	0	0	115.2
5	I	42	Very low	40.3	Very low	168 Å²	168	128.7 Å²	128.7	86%	0.862	83%	0.825	S	S	*	*	S	Bend	trans	-140	56.7	177.6	-42.1	178.8	0	0	0	111.6
6	T	42.2	Very low	41.3	Very low	127 Å²	127	123 Å²	123	78%	0.779	80%	0.798	S	S	*	*			trans	-153.4	59.7	-180	51.6	0	0	0	0	113.9
7	S	43.2	Very low	42.6	Very low	116 Å²	116	122.9 Å²	122.9	81%	0.811	80%	0.798	S	S	*	*	S	Bend	trans	-164.2	26.7	172.3	54.9	0	0	0	0	118.3
8	T	37.9	Very low	44.3	Very low	136 Å²	136	116.9 Å²	116.9	83%	0.834	76%	0.757	S	S	*	*	S	Bend	trans	-140.5	25.4	176.9	-18.3	0	0	0	0	116.6
9	T	39.8	Very low	46	Very low	143 Å²	143	113.8 Å²	113.8	88%	0.877	74%	0.736	S	S	*	*			trans	-114.2	46.7	162.8	54.9	0	0	0	0	111.1	A11	T9-A11 PolarHBondContact O-N 3.07Å
10	A	35.4	Very low	47.8	Very low	97 Å²	97	114.7 Å²	114.7	80%	0.802	73%	0.734	S	S	*	*			trans	-68.2	83	154.7	0	0	0	0	0	107.2	T12	A10-T12 PolarHBondContact O-N 2.64Å
11	A	42.1	Very low	49.7	Very low	85 Å²	85	112.9 Å²	112.9	70%	0.702	71%	0.714	S	S	*	*			trans	-57.4	131.2	175	0	0	0	0	0	108.6	T9 A13	T9-A11 PolarHBondContact O-N 3.07Å; A11-A13 PolarHBondContact O-N 3.01Å
12	T	40.9	Very low	52.1	Low	144 Å²	144	105 Å²	105	88%	0.883	68%	0.676	S	S	*	*			trans	-71.4	69.7	165.3	51.4	0	0	0	0	108.5	A10 A14	A10-T12 PolarHBondContact O-N 2.64Å; T12-A14 PolarHBondContact O-N 3.45Å; T12-A14 VanDerWaalsContact O-N 3.09Å
13	A	42.3	Very low	54.7	Low	78 Å²	78	107.8 Å²	107.8	65%	0.645	67%	0.667	S	S	*	*			trans	-59.5	112.1	170.4	0	0	0	0	0	107.1	A11 S15	A11-A13 PolarHBondContact O-N 3.01Å; A13-S15 PolarHBondContact O-N 3.19Å
14	A	43	Very low	57.3	Low	86 Å²	86	102.6 Å²	102.6	71%	0.711	63%	0.634	S	S	*	*			trans	-63	106.6	179.3	0	0	0	0	0	108.4	T12 G16 V19	T12-A14 PolarHBondContact O-N 3.45Å; T12-A14 VanDerWaalsContact O-N 3.09Å; A14-G16 PolarHBondContact O-N 3.47Å; A14-V19 WeakPolarHBondContact O-CG2 3.32Å
15	S	44.7	Very low	60.1	Low	123 Å²	123	95.4 Å²	95.4	86%	0.86	60%	0.596	S	S	*	*			trans	-76.3	63.8	-174.7	60	0	0	0	0	111.5	A13	A13-S15 PolarHBondContact O-N 3.19Å
16	G	57.5	Low	62.6	Low	38 Å²	38	92.2 Å²	92.2	39%	0.392	58%	0.58	S	S	.	*			trans	-80.6	158.3	167.5	0	0	0	0	0	111.4	A14 L18 V19	A14-G16 PolarHBondContact O-N 3.47Å; G16-L18 PolarHBondContact O-N 3.37Å; G16-V19 WeakPolarHBondContact O-CG2 3.3Å; G16-V19 PolarHBondContact O-N 3.09Å
17	P	62	Low	65.2	Low	122 Å²	122	89.6 Å²	89.6	79%	0.792	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-0.9	-176.6	29.5	-36.5	0	0	0	114.8
18	L	73.8	Confident	67.7	Low	14 Å²	14	84 Å²	84	7%	0.073	52%	0.522	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	9.1	-176.5	-67.1	173.5	0	0	0	114.5	G16 D20 Y21 V548 Y549	G16-L18 PolarHBondContact O-N 3.37Å; L18-D20 PolarHBondContact O-N 3.14Å; L18-Y21 HydrophobicContact CB-CD2 4.35Å; L18-Y21 HydrophobicContact CD2-CD2 3.65Å; L18-Y21 HydrophobicContact CD2-CE2 3.92Å; L18-Y21 HydrophobicContact CD2-CG 4.38Å; L18-Y21 WeakPolarHBondContact O-CB 3.38Å; L18-Y21 PolarHBondContact O-N 3.41Å; L18-V548 HydrophobicContact CD1-CG1 4.46Å; L18-V548 WeakPolarHBondContact CD1-O 3.23Å; L18-Y549 HydrophobicContact CB-CD2 4.32Å; L18-Y549 VanDerWaalsContact O-CE2 3.31Å; L18-Y549 WeakPolarHBondContact O-CE2 3.43Å
19	V	76.9	Confident	70.5	Confident	58 Å²	58	79.1 Å²	79.1	35%	0.352	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-56	-36.4	179.9	172.4	0	0	0	0	112.3	A14 G16 Y21 L22	A14-V19 WeakPolarHBondContact O-CG2 3.32Å; G16-V19 WeakPolarHBondContact O-CG2 3.3Å; G16-V19 PolarHBondContact O-N 3.09Å; V19-Y21 PolarHBondContact O-N 3.13Å; V19-Y21 VanDerWaalsContact O-N 3.08Å; V19-L22 VanDerWaalsContact O-CB 3.23Å; V19-L22 WeakPolarHBondContact O-CB 3.4Å; V19-L22 PolarHBondContact O-N 3.02Å
20	D	82.1	Confident	73.3	Confident	131 Å²	131	76.2 Å²	76.2	70%	0.701	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-63.2	-14.3	176.7	-60.8	-32.6	0	0	0	113.8	L18 W23	L18-D20 PolarHBondContact O-N 3.14Å; D20-W23 PolarHBondContact O-NE1 3.06Å; D20-W23 VanDerWaalsContact O-NE1 3.1Å
21	Y	86.8	Confident	76.2	Confident	77 Å²	77	72.5 Å²	72.5	30%	0.302	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-99.3	2.9	177.8	-59.6	-91.3	0	0	0	113.2	L18 V19 W23 M24 L25 G100 M103	L18-Y21 HydrophobicContact CB-CD2 4.35Å; L18-Y21 HydrophobicContact CD2-CD2 3.65Å; L18-Y21 HydrophobicContact CD2-CE2 3.92Å; L18-Y21 HydrophobicContact CD2-CG 4.38Å; L18-Y21 WeakPolarHBondContact O-CB 3.38Å; L18-Y21 PolarHBondContact O-N 3.41Å; V19-Y21 PolarHBondContact O-N 3.13Å; V19-Y21 VanDerWaalsContact O-N 3.08Å; Y21-W23 PolarHBondContact O-N 2.72Å; Y21-M24 HydrophobicContact CD1-CE 3.67Å; Y21-M24 HydrophobicContact CD1-SD 3.8Å; Y21-M24 HydrophobicContact CE1-CE 3.95Å; Y21-M24 WeakPolarHBondContact O-CB 3.35Å; Y21-M24 PolarHBondContact O-N 3.29Å; Y21-L25 PolarHBondContact O-N 2.94Å; Y21-G100 VanDerWaalsContact CE1-CA 3.43Å; Y21-M103 HydrophobicContact CD1-SD 4.34Å; Y21-M103 HydrophobicContact CG-SD 4.17Å
22	L	89.9	Confident	78.9	Confident	74 Å²	74	68.4 Å²	68.4	39%	0.387	40%	0.404	S	S	.	.	H	α-helix	trans	-56	-34.1	177.8	174.9	59.5	0	0	0	112.6	V19 M24 L25 I26 Y549	V19-L22 VanDerWaalsContact O-CB 3.23Å; V19-L22 WeakPolarHBondContact O-CB 3.4Å; V19-L22 PolarHBondContact O-N 3.02Å; L22-M24 VanDerWaalsContact C-N 3.34Å; L22-M24 PolarHBondContact O-N 3.08Å; L22-L25 HydrophobicContact CD1-CD2 4.34Å; L22-L25 WeakPolarHBondContact O-CB 3.32Å; L22-L25 PolarHBondContact O-N 3.28Å; L22-I26 HydrophobicContact CD1-CD1 4.07Å; L22-I26 HydrophobicContact CD1-CG1 4.21Å; L22-I26 HydrophobicContact CG-CD1 3.95Å; L22-I26 WeakPolarHBondContact O-CG1 3.49Å; L22-I26 PolarHBondContact O-N 2.93Å; L22-Y549 HydrophobicContact CB-CE2 4.01Å; L22-Y549 HydrophobicContact CD1-CE2 4.45Å
23	W	92.1	Very high	81.5	Confident	151 Å²	151	64.4 Å²	64.4	57%	0.572	37%	0.374	S	S	*	.	H	α-helix	trans	-65.8	-35.2	175.7	70	-92	0	0	0	112.4	D20 Y21 L25 L27	D20-W23 PolarHBondContact O-NE1 3.06Å; D20-W23 VanDerWaalsContact O-NE1 3.1Å; Y21-W23 PolarHBondContact O-N 2.72Å; W23-L25 VanDerWaalsContact C-N 3.34Å; W23-L27 HydrophobicContact CE3-CD2 4.34Å; W23-L27 HydrophobicContact CZ3-CD2 4.08Å; W23-L27 WeakPolarHBondContact O-CB 3.34Å; W23-L27 PolarHBondContact O-N 3.09Å
24	M	92.8	Very high	84.1	Confident	21 Å²	21	63.3 Å²	63.3	10%	0.103	36%	0.359	C	S	.	.	H	α-helix	trans	-66.4	-39.2	174	-63.6	-167.5	-171.2	0	0	110.8	Y21 L22 G28 M103 A104	Y21-M24 HydrophobicContact CD1-CE 3.67Å; Y21-M24 HydrophobicContact CD1-SD 3.8Å; Y21-M24 HydrophobicContact CE1-CE 3.95Å; Y21-M24 WeakPolarHBondContact O-CB 3.35Å; Y21-M24 PolarHBondContact O-N 3.29Å; L22-M24 VanDerWaalsContact C-N 3.34Å; L22-M24 PolarHBondContact O-N 3.08Å; M24-G28 PolarHBondContact O-N 2.98Å; M24-M103 HydrophobicContact CB-CE 4.47Å; M24-M103 HydrophobicContact SD-CB 3.94Å; M24-A104 HydrophobicContact CE-CB 4.27Å; M24-A104 HydrophobicContact SD-CB 4.18Å
25	L	93.9	Very high	86.7	Confident	15 Å²	15	59.2 Å²	59.2	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-52.5	176.2	-174.4	70.6	0	0	0	110.8	Y21 L22 W23 L27 G28 F29 L545 Y546 Y549	Y21-L25 PolarHBondContact O-N 2.94Å; L22-L25 HydrophobicContact CD1-CD2 4.34Å; L22-L25 WeakPolarHBondContact O-CB 3.32Å; L22-L25 PolarHBondContact O-N 3.28Å; W23-L25 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 2.86Å; L25-G28 PolarHBondContact O-N 3.39Å; L25-F29 HydrophobicContact CD1-CD2 4.23Å; L25-F29 HydrophobicContact CD1-CE2 3.75Å; L25-F29 HydrophobicContact CD2-CE2 4.37Å; L25-F29 HydrophobicContact CG-CD2 4.03Å; L25-F29 HydrophobicContact CG-CE2 3.82Å; L25-F29 VanDerWaalsContact O-CD2 3.28Å; L25-F29 WeakPolarHBondContact O-CD2 3.21Å; L25-F29 PolarHBondContact O-N 3.35Å; L25-L545 HydrophobicContact CD1-CD2 4.44Å; L25-L545 HydrophobicContact CD1-CG 4.1Å; L25-Y546 HydrophobicContact CD1-CD2 4.5Å; L25-Y549 HydrophobicContact CB-CD2 4.46Å; L25-Y549 HydrophobicContact CD2-CD1 3.61Å; L25-Y549 HydrophobicContact CD2-CD2 4.38Å; L25-Y549 HydrophobicContact CD2-CE1 3.87Å; L25-Y549 HydrophobicContact CD2-CG 3.89Å
26	I	95.2	Very high	89.1	Confident	101 Å²	101	53.3 Å²	53.3	52%	0.518	28%	0.284	S	S	.	.	H	α-helix	trans	-59.1	-46.5	179.2	-66.1	166.2	0	0	0	110.9	L22 G28 F29 V30	L22-I26 HydrophobicContact CD1-CD1 4.07Å; L22-I26 HydrophobicContact CD1-CG1 4.21Å; L22-I26 HydrophobicContact CG-CD1 3.95Å; L22-I26 WeakPolarHBondContact O-CG1 3.49Å; L22-I26 PolarHBondContact O-N 2.93Å; I26-G28 VanDerWaalsContact C-N 3.34Å; I26-G28 PolarHBondContact O-N 2.85Å; I26-F29 PolarHBondContact O-N 2.9Å; I26-V30 PolarHBondContact O-N 3.36Å
27	L	96.2	Very high	90.9	Very high	71 Å²	71	53.3 Å²	53.3	37%	0.372	27%	0.273	S	S	.	.	H	α-helix	trans	-62.7	-41.3	177.1	-178.8	60.1	0	0	0	111.7	W23 L25 V30 I31 V107	W23-L27 HydrophobicContact CE3-CD2 4.34Å; W23-L27 HydrophobicContact CZ3-CD2 4.08Å; W23-L27 WeakPolarHBondContact O-CB 3.34Å; W23-L27 PolarHBondContact O-N 3.09Å; L25-L27 PolarHBondContact O-N 2.86Å; L27-V30 PolarHBondContact O-N 3.21Å; L27-I31 HydrophobicContact CD1-CD1 3.76Å; L27-I31 HydrophobicContact CD1-CG1 4.22Å; L27-I31 HydrophobicContact CD2-CD1 4.45Å; L27-I31 HydrophobicContact CG-CD1 3.74Å; L27-I31 WeakPolarHBondContact O-CG1 3.14Å; L27-I31 PolarHBondContact O-N 2.98Å; L27-V107 HydrophobicContact CD2-CG1 4.25Å; L27-V107 HydrophobicContact CG-CG1 4.31Å
28	G	96.3	Very high	92.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-38.7	176.9	0	0	0	0	0	113.4	M24 L25 I26 I31 A32	M24-G28 PolarHBondContact O-N 2.98Å; L25-G28 PolarHBondContact O-N 3.39Å; I26-G28 VanDerWaalsContact C-N 3.34Å; I26-G28 PolarHBondContact O-N 2.85Å; G28-I31 PolarHBondContact O-N 3.03Å; G28-A32 WeakPolarHBondContact O-CB 3.47Å; G28-A32 PolarHBondContact O-N 3.21Å
29	F	97.3	Very high	93.3	Very high	32 Å²	32	46.9 Å²	46.9	14%	0.14	23%	0.232	C	C	.	.	H	α-helix	trans	-59.1	-50.7	170.5	-88.8	-76.1	0	0	0	111.6	L25 I26 I31 A32 F33 L542 Y546 W563 L564 Y567	L25-F29 HydrophobicContact CD1-CD2 4.23Å; L25-F29 HydrophobicContact CD1-CE2 3.75Å; L25-F29 HydrophobicContact CD2-CE2 4.37Å; L25-F29 HydrophobicContact CG-CD2 4.03Å; L25-F29 HydrophobicContact CG-CE2 3.82Å; L25-F29 VanDerWaalsContact O-CD2 3.28Å; L25-F29 WeakPolarHBondContact O-CD2 3.21Å; L25-F29 PolarHBondContact O-N 3.35Å; I26-F29 PolarHBondContact O-N 2.9Å; F29-I31 VanDerWaalsContact C-N 3.35Å; F29-I31 PolarHBondContact O-N 3.25Å; F29-A32 PolarHBondContact O-N 3.04Å; F29-F33 PolarHBondContact O-N 2.86Å; F29-L542 HydrophobicContact CD1-CD1 3.97Å; F29-L542 HydrophobicContact CD1-CD2 3.88Å; F29-L542 HydrophobicContact CD1-CG 4.44Å; F29-L542 HydrophobicContact CD2-CD1 4.24Å; F29-L542 HydrophobicContact CE1-CD1 4.11Å; F29-L542 HydrophobicContact CE1-CD2 3.81Å; F29-L542 HydrophobicContact CE1-CG 4.26Å; F29-L542 HydrophobicContact CE2-CD1 4.36Å; F29-L542 HydrophobicContact CG-CD1 4.01Å; F29-L542 HydrophobicContact CZ-CD1 4.28Å; F29-Y546 HydrophobicContact CE2-CD2 4.33Å; F29-Y546 HydrophobicContact CZ-CD2 4.06Å; F29-W563 AromaticContact CE1-CH2 3.73Å; F29-W563 HydrophobicContact CE1-CH2 3.73Å; F29-W563 AromaticContact CE1-CZ3 3.75Å; F29-W563 HydrophobicContact CE1-CZ3 3.75Å; F29-W563 AromaticContact CZ-CH2 3.51Å; F29-W563 HydrophobicContact CZ-CH2 3.51Å; F29-W563 HydrophobicContact CZ-CZ2 4.47Å; F29-W563 HydrophobicContact CZ-CZ3 4.05Å; F29-L564 HydrophobicContact CE1-CD2 3.45Å; F29-L564 VanDerWaalsContact CE1-CD2 3.45Å; F29-L564 HydrophobicContact CZ-CD2 3.73Å; F29-Y567 HydrophobicContact CD1-CD1 4.38Å; F29-Y567 AromaticContact CD1-CE1 3.8Å; F29-Y567 HydrophobicContact CD1-CE1 3.8Å; F29-Y567 HydrophobicContact CD1-CE2 4.5Å; F29-Y567 AromaticContact CD1-CZ 3.85Å; F29-Y567 PolarHBondContact O-OH 3.24Å
30	V	97.7	Very high	94	Very high	83 Å²	83	44.1 Å²	44.1	50%	0.503	22%	0.216	S	C	.	.	H	α-helix	trans	-58.6	-46	178.8	174.5	0	0	0	0	111.3	I26 L27 F33 V34	I26-V30 PolarHBondContact O-N 3.36Å; L27-V30 PolarHBondContact O-N 3.21Å; V30-F33 PolarHBondContact O-N 3.21Å; V30-V34 WeakPolarHBondContact O-CG2 3.23Å; V30-V34 PolarHBondContact O-N 2.83Å; V30-V34 VanDerWaalsContact O-N 3.07Å
31	I	97.4	Very high	94.3	Very high	18 Å²	18	37.9 Å²	37.9	9%	0.092	18%	0.182	C	C	.	.	H	α-helix	trans	-70.2	-38.9	-179.4	-66.8	171.1	0	0	0	111.5	L27 G28 F29 F33 V34 L35 V107 M110 F111	L27-I31 HydrophobicContact CD1-CD1 3.76Å; L27-I31 HydrophobicContact CD1-CG1 4.22Å; L27-I31 HydrophobicContact CD2-CD1 4.45Å; L27-I31 HydrophobicContact CG-CD1 3.74Å; L27-I31 WeakPolarHBondContact O-CG1 3.14Å; L27-I31 PolarHBondContact O-N 2.98Å; G28-I31 PolarHBondContact O-N 3.03Å; F29-I31 VanDerWaalsContact C-N 3.35Å; F29-I31 PolarHBondContact O-N 3.25Å; I31-F33 VanDerWaalsContact C-N 3.3Å; I31-F33 PolarHBondContact O-N 3.17Å; I31-V34 PolarHBondContact O-N 3.42Å; I31-L35 WeakPolarHBondContact O-CB 3.4Å; I31-L35 PolarHBondContact O-N 3.5Å; I31-V107 HydrophobicContact CD1-CG1 3.93Å; I31-M110 HydrophobicContact CG2-CB 3.75Å; I31-F111 HydrophobicContact CD1-CB 4.26Å; I31-F111 HydrophobicContact CD1-CD2 3.94Å; I31-F111 HydrophobicContact CD1-CG 4.5Å; I31-F111 HydrophobicContact CG1-CD2 4.37Å; I31-F111 HydrophobicContact CG2-CB 4.03Å; I31-F111 HydrophobicContact CG2-CD2 4.45Å
32	A	97.3	Very high	94.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-36.3	174.3	0	0	0	0	0	112.2	G28 F29 L35 A36 M110 L542	G28-A32 WeakPolarHBondContact O-CB 3.47Å; G28-A32 PolarHBondContact O-N 3.21Å; F29-A32 PolarHBondContact O-N 3.04Å; A32-L35 PolarHBondContact O-N 2.92Å; A32-A36 WeakPolarHBondContact O-CB 3.26Å; A32-A36 PolarHBondContact O-N 3.44Å; A32-M110 HydrophobicContact CB-CE 4.45Å; A32-M110 HydrophobicContact CB-SD 3.66Å; A32-L542 HydrophobicContact CB-CB 3.97Å; A32-L542 HydrophobicContact CB-CD1 3.98Å; A32-L542 HydrophobicContact CB-CD2 3.74Å; A32-L542 HydrophobicContact CB-CG 4.1Å
33	F	97.4	Very high	93.8	Very high	60 Å²	60	31.1 Å²	31.1	26%	0.263	15%	0.152	S	C	.	.	H	α-helix	trans	-67	-40.1	173.2	-176.4	-91.6	0	0	0	112.1	F29 V30 I31 L35 A36 F37 Y567 I574	F29-F33 PolarHBondContact O-N 2.86Å; V30-F33 PolarHBondContact O-N 3.21Å; I31-F33 VanDerWaalsContact C-N 3.3Å; I31-F33 PolarHBondContact O-N 3.17Å; F33-L35 VanDerWaalsContact C-N 3.33Å; F33-A36 PolarHBondContact O-N 3.1Å; F33-F37 VanDerWaalsContact O-CB 3.29Å; F33-F37 WeakPolarHBondContact O-CB 3.13Å; F33-F37 PolarHBondContact O-N 3.08Å; F33-Y567 HydrophobicContact CB-CE1 4.01Å; F33-Y567 HydrophobicContact CD2-CE1 4.44Å; F33-Y567 HydrophobicContact CD2-CE2 4.26Å; F33-I574 HydrophobicContact CE2-CD1 4.2Å; F33-I574 HydrophobicContact CZ-CD1 3.72Å
34	V	96.8	Very high	93	Very high	54 Å²	54	23.9 Å²	23.9	33%	0.327	12%	0.124	S	C	.	.	H	α-helix	trans	-66.3	-34.6	174.3	175.4	0	0	0	0	111.6	V30 I31 F37 S38 A114 L118	V30-V34 WeakPolarHBondContact O-CG2 3.23Å; V30-V34 PolarHBondContact O-N 2.83Å; V30-V34 VanDerWaalsContact O-N 3.07Å; I31-V34 PolarHBondContact O-N 3.42Å; V34-F37 WeakPolarHBondContact O-CB 3.45Å; V34-F37 PolarHBondContact O-N 3.48Å; V34-S38 PolarHBondContact O-N 3.1Å; V34-A114 HydrophobicContact CG1-CB 4.24Å; V34-L118 HydrophobicContact CG1-CD1 3.72Å
35	L	95.8	Very high	92.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.1	-42.7	173.3	-178.2	50.3	0	0	0	112.4	I31 A32 F33 F37 S38 V39 M110 A114 I133 N537 A538	I31-L35 WeakPolarHBondContact O-CB 3.4Å; I31-L35 PolarHBondContact O-N 3.5Å; A32-L35 PolarHBondContact O-N 2.92Å; F33-L35 VanDerWaalsContact C-N 3.33Å; L35-F37 VanDerWaalsContact C-N 3.29Å; L35-F37 PolarHBondContact O-N 3.45Å; L35-S38 WeakPolarHBondContact CA-OG 3.22Å; L35-S38 PolarHBondContact O-N 2.88Å; L35-S38 PolarHBondContact O-OG 3.5Å; L35-V39 WeakPolarHBondContact O-CG2 3.46Å; L35-V39 PolarHBondContact O-N 2.79Å; L35-M110 HydrophobicContact CD2-CB 3.87Å; L35-M110 HydrophobicContact CD2-CG 3.97Å; L35-A114 HydrophobicContact CB-CB 4.1Å; L35-A114 HydrophobicContact CD1-CB 4.34Å; L35-I133 HydrophobicContact CD2-CD1 4.38Å; L35-N537 WeakPolarHBondContact CD2-O 2.76Å; L35-A538 HydrophobicContact CB-CB 4.24Å; L35-A538 HydrophobicContact CD2-CB 4.43Å; L35-A538 HydrophobicContact CG-CB 4.03Å
36	A	96.3	Very high	91.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.5	-40.4	172.4	0	0	0	0	0	111.2	A32 F33 G40 A538 I572	A32-A36 WeakPolarHBondContact O-CB 3.26Å; A32-A36 PolarHBondContact O-N 3.44Å; F33-A36 PolarHBondContact O-N 3.1Å; A36-G40 PolarHBondContact O-N 3.46Å; A36-A538 HydrophobicContact CB-CB 3.83Å; A36-I572 HydrophobicContact CB-CG1 4.33Å; A36-I572 VanDerWaalsContact O-CA 3.28Å; A36-I572 WeakPolarHBondContact O-CA 3.43Å; A36-I572 VanDerWaalsContact O-CG1 3.3Å; A36-I572 WeakPolarHBondContact O-CG1 3.27Å; A36-I572 PolarHBondContact O-N 2.96Å
37	F	95.5	Very high	91.2	Very high	38 Å²	38	18.5 Å²	18.5	17%	0.167	10%	0.098	C	C	.	.	H	α-helix	trans	-61.1	-41.5	172.2	177.3	-75.9	0	0	0	112.1	F33 V34 L35 G40 A41 L118 G571 I574 G575 V578 W579	F33-F37 VanDerWaalsContact O-CB 3.29Å; F33-F37 WeakPolarHBondContact O-CB 3.13Å; F33-F37 PolarHBondContact O-N 3.08Å; V34-F37 WeakPolarHBondContact O-CB 3.45Å; V34-F37 PolarHBondContact O-N 3.48Å; L35-F37 VanDerWaalsContact C-N 3.29Å; L35-F37 PolarHBondContact O-N 3.45Å; F37-G40 PolarHBondContact O-N 3Å; F37-A41 VanDerWaalsContact O-CB 3.26Å; F37-A41 WeakPolarHBondContact O-CB 3.48Å; F37-A41 PolarHBondContact O-N 3.01Å; F37-L118 HydrophobicContact CD1-CD2 4.02Å; F37-L118 HydrophobicContact CE1-CD2 4.17Å; F37-G571 WeakPolarHBondContact CA-O 3.2Å; F37-I574 HydrophobicContact CD2-CB 4.46Å; F37-I574 HydrophobicContact CD2-CG2 3.97Å; F37-I574 HydrophobicContact CE2-CG2 4.09Å; F37-G575 VanDerWaalsContact O-CA 3.29Å; F37-G575 WeakPolarHBondContact O-CA 3.31Å; F37-V578 HydrophobicContact CE2-CB 3.86Å; F37-V578 HydrophobicContact CE2-CG1 4.21Å; F37-V578 HydrophobicContact CE2-CG2 4.08Å; F37-V578 HydrophobicContact CZ-CB 3.85Å; F37-V578 HydrophobicContact CZ-CG1 3.82Å; F37-W579 HydrophobicContact CE1-CE3 4.32Å
38	S	92.9	Very high	90.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-69.8	-38.4	179.3	64.4	0	0	0	0	112.9	V34 L35 A41 N42 Q117	V34-S38 PolarHBondContact O-N 3.1Å; L35-S38 WeakPolarHBondContact CA-OG 3.22Å; L35-S38 PolarHBondContact O-N 2.88Å; L35-S38 PolarHBondContact O-OG 3.5Å; S38-A41 PolarHBondContact O-N 3.04Å; S38-N42 PolarHBondContact O-N 2.93Å; S38-N42 PolarHBondContact O-ND2 3.17Å; S38-Q117 WeakPolarHBondContact OG-CB 3.42Å; S38-Q117 PolarHBondContact OG-OE1 3.24Å
39	V	92.1	Very high	90.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-57.1	-52.4	169.8	170.4	0	0	0	0	110.2	L35 A41 N42 D43 D534 N537 I572	L35-V39 WeakPolarHBondContact O-CG2 3.46Å; L35-V39 PolarHBondContact O-N 2.79Å; V39-A41 VanDerWaalsContact C-N 3.26Å; V39-A41 PolarHBondContact O-N 3.46Å; V39-N42 PolarHBondContact O-N 3.24Å; V39-D43 PolarHBondContact O-N 3.49Å; V39-D534 HydrophobicContact CG1-CB 3.81Å; V39-N537 HydrophobicContact CG2-CB 4.37Å; V39-I572 HydrophobicContact CB-CG1 4.41Å; V39-I572 HydrophobicContact CG1-CD1 4.25Å; V39-I572 HydrophobicContact CG1-CG1 4.21Å
40	G	91.9	Very high	89.8	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.1	-24.7	178.6	0	0	0	0	0	115	A36 F37 I572 L576	A36-G40 PolarHBondContact O-N 3.46Å; F37-G40 PolarHBondContact O-N 3Å; G40-I572 WeakPolarHBondContact CA-O 3.3Å; G40-L576 VanDerWaalsContact O-CA 3.29Å; G40-L576 WeakPolarHBondContact O-CA 3.39Å; G40-L576 PolarHBondContact O-N 3.49Å
41	A	89.1	Confident	89.4	Confident	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-77.6	-32.8	175.1	0	0	0	0	0	113.2	F37 S38 V39 W579 G580 V583	F37-A41 VanDerWaalsContact O-CB 3.26Å; F37-A41 WeakPolarHBondContact O-CB 3.48Å; F37-A41 PolarHBondContact O-N 3.01Å; S38-A41 PolarHBondContact O-N 3.04Å; V39-A41 VanDerWaalsContact C-N 3.26Å; V39-A41 PolarHBondContact O-N 3.46Å; A41-W579 HydrophobicContact CB-CB 3.76Å; A41-W579 HydrophobicContact CB-CE3 4.35Å; A41-G580 VanDerWaalsContact O-CA 3.29Å; A41-G580 WeakPolarHBondContact O-CA 3.31Å; A41-V583 VanDerWaalsContact O-CG2 3.28Å; A41-V583 WeakPolarHBondContact O-CG2 3.46Å
42	N	83.2	Confident	89	Confident	7 Å²	7	10.5 Å²	10.5	4%	0.037	6%	0.056	C	C	.	.	H	α-helix	trans	-87.2	-60.6	178.3	-72.2	-32.5	0	0	0	112	S38 V39 Q117 S121	S38-N42 PolarHBondContact O-N 2.93Å; S38-N42 PolarHBondContact O-ND2 3.17Å; V39-N42 PolarHBondContact O-N 3.24Å; N42-Q117 PolarHBondContact ND2-O 3.16Å; N42-S121 VanDerWaalsContact CG-OG 3.24Å; N42-S121 PolarHBondContact ND2-OG 3.3Å; N42-S121 WeakPolarHBondContact OD1-CA 3.42Å; N42-S121 VanDerWaalsContact OD1-CB 3.28Å; N42-S121 WeakPolarHBondContact OD1-CB 3.26Å; N42-S121 PolarHBondContact OD1-N 2.88Å; N42-S121 PolarHBondContact OD1-OG 2.89Å
43	D	81.7	Confident	88.3	Confident	2 Å²	2	12.2 Å²	12.2	1%	0.011	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-10.2	-146.2	-63.7	-36.1	0	0	0	113.5	V39 A45 N46 H530 T623	V39-D43 PolarHBondContact O-N 3.49Å; D43-A45 PolarHBondContact O-N 2.9Å; D43-A45 VanDerWaalsContact O-N 3.09Å; D43-N46 WeakPolarHBondContact O-CB 3.43Å; D43-N46 PolarHBondContact O-N 2.79Å; D43-N46 PolarHBondContact O-ND2 3.39Å; D43-N46 VanDerWaalsContact O-ND2 3.1Å; D43-H530 VanDerWaalsContact C-NE2 3.28Å; D43-H530 WeakPolarHBondContact CB-NE2 3.41Å; D43-H530 PolarHBondContact O-NE2 2.81Å; D43-T623 PolarHBondContact OD1-OG1 3.3Å
44	V	75.4	Confident	87.6	Confident	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.4	-17.7	171.5	-176.9	0	0	0	0	112.5	N46 S47 F48 A66 E70 L576 I584	V44-N46 PolarHBondContact O-N 2.88Å; V44-S47 PolarHBondContact O-N 3.47Å; V44-S47 VanDerWaalsContact O-N 3.15Å; V44-F48 HydrophobicContact CG1-CD2 4.42Å; V44-F48 PolarHBondContact O-N 3.02Å; V44-A66 HydrophobicContact CG1-CB 3.75Å; V44-E70 HydrophobicContact CG2-CG 4.42Å; V44-L576 HydrophobicContact CB-CD1 4.06Å; V44-L576 HydrophobicContact CG1-CD1 3.69Å; V44-L576 HydrophobicContact CG1-CD2 4.23Å; V44-L576 HydrophobicContact CG1-CG 4.49Å; V44-L576 HydrophobicContact CG2-CB 4.3Å; V44-L576 HydrophobicContact CG2-CD1 4.39Å; V44-L576 HydrophobicContact CG2-CD2 4.5Å; V44-I584 HydrophobicContact CG1-CD1 4.31Å
45	A	77.6	Confident	87	Confident	7 Å²	7	11.1 Å²	11.1	6%	0.058	9%	0.087	C	C	.	.	H	α-helix	trans	-61.7	-27.4	168	0	0	0	0	0	112.8	D43 S47 G49 V583 I584 M587	D43-A45 PolarHBondContact O-N 2.9Å; D43-A45 VanDerWaalsContact O-N 3.09Å; A45-S47 VanDerWaalsContact C-N 3.35Å; A45-G49 VanDerWaalsContact O-CA 3.23Å; A45-G49 WeakPolarHBondContact O-CA 3.16Å; A45-G49 PolarHBondContact O-N 3.22Å; A45-V583 HydrophobicContact CB-CB 4.46Å; A45-V583 HydrophobicContact CB-CG1 3.82Å; A45-I584 HydrophobicContact CB-CG1 4.18Å; A45-M587 HydrophobicContact CB-CB 4.17Å; A45-M587 HydrophobicContact CB-CG 3.92Å
46	N	83.3	Confident	86.6	Confident	13 Å²	13	12.5 Å²	12.5	7%	0.07	10%	0.095	C	C	.	.	H	α-helix	trans	-66.1	-37.5	173	-60	-43.6	0	0	0	111.6	D43 V44 T623 K626	D43-N46 WeakPolarHBondContact O-CB 3.43Å; D43-N46 PolarHBondContact O-N 2.79Å; D43-N46 PolarHBondContact O-ND2 3.39Å; D43-N46 VanDerWaalsContact O-ND2 3.1Å; V44-N46 PolarHBondContact O-N 2.88Å; N46-T623 PolarHBondContact ND2-OG1 2.84Å; N46-K626 HydrophobicContact CB-CB 4.43Å; N46-K626 HydrophobicContact CB-CG 4.45Å; N46-K626 VanDerWaalsContact O-CD 3.28Å; N46-K626 WeakPolarHBondContact O-CD 3.44Å; N46-K626 WeakPolarHBondContact O-CE 3.45Å; N46-K626 PolarHBondContact O-NZ 3.04Å
47	S	84.5	Confident	86.3	Confident	4 Å²	4	12.8 Å²	12.8	3%	0.028	10%	0.097	C	C	.	.	H	α-helix	trans	-79.3	-50.2	-178.7	-58.7	0	0	0	0	112.5	V44 A45 G526 S527	V44-S47 PolarHBondContact O-N 3.47Å; V44-S47 VanDerWaalsContact O-N 3.15Å; A45-S47 VanDerWaalsContact C-N 3.35Å; S47-G526 PolarHBondContact OG-O 3.24Å; S47-S527 WeakPolarHBondContact OG-CA 3.48Å; S47-S527 PolarHBondContact OG-N 3.05Å
48	F	89.1	Confident	86.1	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-111.1	-9.4	-171.4	-81.8	-86.1	0	0	0	115.9	V44 T50 A51 V52 A62 L65 A66 A523	V44-F48 HydrophobicContact CG1-CD2 4.42Å; V44-F48 PolarHBondContact O-N 3.02Å; F48-T50 VanDerWaalsContact C-N 3.29Å; F48-T50 PolarHBondContact O-N 2.93Å; F48-A51 PolarHBondContact O-N 3.36Å; F48-A51 VanDerWaalsContact O-N 3.12Å; F48-V52 WeakPolarHBondContact O-CG2 3.45Å; F48-V52 PolarHBondContact O-N 3.33Å; F48-A62 HydrophobicContact CB-CB 4.02Å; F48-A62 HydrophobicContact CD1-CB 3.72Å; F48-A62 HydrophobicContact CE1-CB 4.47Å; F48-A62 HydrophobicContact CG-CB 3.97Å; F48-L65 HydrophobicContact CE1-CB 4.01Å; F48-L65 HydrophobicContact CE1-CD1 4.15Å; F48-L65 HydrophobicContact CE2-CB 4.45Å; F48-L65 HydrophobicContact CZ-CB 3.58Å; F48-L65 HydrophobicContact CZ-CD1 4.45Å; F48-A66 HydrophobicContact CD2-CB 3.75Å; F48-A66 HydrophobicContact CE2-CB 3.61Å; F48-A523 HydrophobicContact CD1-CB 3.73Å; F48-A523 HydrophobicContact CE1-CB 3.56Å; F48-A523 HydrophobicContact CG-CB 4.28Å; F48-A523 HydrophobicContact CZ-CB 3.98Å
49	G	85.2	Confident	85.8	Confident	2 Å²	2	16.5 Å²	16.5	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-59	-39.2	-179	0	0	0	0	0	113.1	A45 G53	A45-G49 VanDerWaalsContact O-CA 3.23Å; A45-G49 WeakPolarHBondContact O-CA 3.16Å; A45-G49 PolarHBondContact O-N 3.22Å; G49-G53 PolarHBondContact O-N 2.92Å
50	T	86.4	Confident	85.7	Confident	3 Å²	3	24 Å²	24	2%	0.018	15%	0.154	C	C	.	.	H	α-helix	trans	-62.9	-43.2	173.5	35.2	0	0	0	0	112.8	F48 S54 Q519 I594 I602 E603 K626	F48-T50 VanDerWaalsContact C-N 3.29Å; F48-T50 PolarHBondContact O-N 2.93Å; T50-S54 PolarHBondContact O-N 3.47Å; T50-S54 PolarHBondContact O-OG 3.4Å; T50-Q519 PolarHBondContact O-NE2 2.82Å; T50-Q519 VanDerWaalsContact O-NE2 3.13Å; T50-I594 HydrophobicContact CG2-CD1 3.72Å; T50-I602 HydrophobicContact CG2-CG2 4.33Å; T50-E603 WeakPolarHBondContact CB-OE1 3.47Å; T50-E603 VanDerWaalsContact OG1-CD 3.31Å; T50-E603 VanDerWaalsContact OG1-CG 3.32Å; T50-E603 WeakPolarHBondContact OG1-CG 2.72Å; T50-E603 PolarHBondContact OG1-OE1 3.06Å; T50-K626 VanDerWaalsContact CG2-CE 3.47Å; T50-K626 PolarHBondContact OG1-NZ 3.34Å
51	A	89.1	Confident	85.7	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-79.2	-24.5	-177.2	0	0	0	0	0	114.1	F48 V56 V57 Q519 A523	F48-A51 PolarHBondContact O-N 3.36Å; F48-A51 VanDerWaalsContact O-N 3.12Å; A51-V56 PolarHBondContact O-N 3.32Å; A51-V56 VanDerWaalsContact O-N 3.15Å; A51-V57 HydrophobicContact CB-CB 4.49Å; A51-V57 HydrophobicContact CB-CG2 4.07Å; A51-V57 PolarHBondContact O-N 2.96Å; A51-Q519 VanDerWaalsContact CA-NE2 3.33Å; A51-Q519 HydrophobicContact CB-CG 4.17Å; A51-A523 HydrophobicContact CB-CB 3.95Å
52	V	88	Confident	85.9	Confident	30 Å²	30	28.9 Å²	28.9	18%	0.182	18%	0.177	C	C	.	.	H	α-helix	trans	-79.4	-37.7	169.5	176.2	0	0	0	0	110.6	F48 G55 A62 I584	F48-V52 WeakPolarHBondContact O-CG2 3.45Å; F48-V52 PolarHBondContact O-N 3.33Å; V52-G55 PolarHBondContact O-N 3.4Å; V52-A62 HydrophobicContact CG2-CB 3.67Å; V52-I584 HydrophobicContact CB-CG2 4Å; V52-I584 HydrophobicContact CG1-CG2 4.14Å; V52-I584 HydrophobicContact CG2-CG2 3.84Å
53	G	82.1	Confident	86.3	Confident	37 Å²	37	28.5 Å²	28.5	38%	0.381	18%	0.175	S	C	.	.	H	α-helix	trans	-70.9	-37.8	179.9	0	0	0	0	0	114.5	G49 G55 G588	G49-G53 PolarHBondContact O-N 2.92Å; G53-G55 PolarHBondContact O-N 3.3Å; G53-G588 WeakPolarHBondContact CA-O 3.22Å
54	S	83.3	Confident	86.9	Confident	26 Å²	26	32.5 Å²	32.5	18%	0.182	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	3.7	169.9	56.5	0	0	0	0	113.7	T50 V56 Q519 I594	T50-S54 PolarHBondContact O-N 3.47Å; T50-S54 PolarHBondContact O-OG 3.4Å; S54-V56 PolarHBondContact O-N 3.44Å; S54-V56 WeakPolarHBondContact OG-CG2 3.47Å; S54-Q519 PolarHBondContact OG-NE2 2.91Å; S54-Q519 PolarHBondContact OG-OE1 3.47Å; S54-I594 VanDerWaalsContact CB-O 3.32Å; S54-I594 WeakPolarHBondContact CB-O 3.41Å
55	G	83.6	Confident	87.7	Confident	65 Å²	65	34.8 Å²	34.8	67%	0.67	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	4	175.3	0	0	0	0	0	115.6	V52 G53	V52-G55 PolarHBondContact O-N 3.4Å; G53-G55 PolarHBondContact O-N 3.3Å
56	V	87.8	Confident	88.5	Confident	28 Å²	28	34.4 Å²	34.4	17%	0.17	20%	0.204	C	C	.	.	S	Bend	trans	-72.2	-36.2	-173.3	-176.8	0	0	0	0	112.4	A51 S54 Q516 I520 P596	A51-V56 PolarHBondContact O-N 3.32Å; A51-V56 VanDerWaalsContact O-N 3.15Å; S54-V56 PolarHBondContact O-N 3.44Å; S54-V56 WeakPolarHBondContact OG-CG2 3.47Å; V56-Q516 HydrophobicContact CB-CG 4.33Å; V56-Q516 HydrophobicContact CG1-CB 3.79Å; V56-Q516 HydrophobicContact CG1-CG 3.91Å; V56-Q516 WeakPolarHBondContact CG1-O 3.35Å; V56-Q516 HydrophobicContact CG2-CB 4.36Å; V56-Q516 HydrophobicContact CG2-CG 3.69Å; V56-I520 HydrophobicContact CG1-CD1 4.04Å; V56-I520 HydrophobicContact CG1-CG1 3.8Å; V56-P596 HydrophobicContact CG2-CB 4.48Å; V56-P596 HydrophobicContact CG2-CG 4.12Å
57	V	89.7	Confident	89	Confident	6 Å²	6	34.9 Å²	34.9	4%	0.036	21%	0.208	C	C	.	.	S	Bend	trans	-126.5	127.6	-174.3	-174	0	0	0	0	109.8	A51 Q61 A62 I520	A51-V57 HydrophobicContact CB-CB 4.49Å; A51-V57 HydrophobicContact CB-CG2 4.07Å; A51-V57 PolarHBondContact O-N 2.96Å; V57-Q61 HydrophobicContact CG1-CB 3.64Å; V57-A62 HydrophobicContact CG1-CB 3.95Å; V57-I520 HydrophobicContact CG2-CG1 3.74Å
58	T	91.1	Very high	89.6	Confident	82 Å²	82	39 Å²	39	50%	0.503	23%	0.229	S	C	.	.			trans	-70.6	149.4	173.2	68.7	0	0	0	0	110.6	K60 Q61 A62	T58-K60 PolarHBondContact O-N 3.09Å; T58-Q61 WeakPolarHBondContact O-CA 3.27Å; T58-Q61 WeakPolarHBondContact O-CB 3.49Å; T58-Q61 PolarHBondContact O-N 3.22Å; T58-Q61 VanDerWaalsContact OG1-CD 3.3Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.46Å; T58-Q61 PolarHBondContact OG1-OE1 3.27Å; T58-A62 PolarHBondContact O-N 3.37Å
59	L	87.5	Confident	89.9	Confident	35 Å²	35	42.2 Å²	42.2	18%	0.183	24%	0.243	C	C	.	.	H	α-helix	trans	-53.2	-33	-178.7	-173.6	65.4	0	0	0	114	C63 R581 I584 Q585	L59-C63 PolarHBondContact O-N 3.14Å; L59-C63 VanDerWaalsContact O-N 3.09Å; L59-C63 PolarHBondContact O-SG 3.37Å; L59-R581 HydrophobicContact CD2-CB 4.19Å; L59-R581 HydrophobicContact CD2-CG 4.33Å; L59-R581 HydrophobicContact CG-CG 4.42Å; L59-I584 HydrophobicContact CD1-CB 3.87Å; L59-I584 HydrophobicContact CD1-CD1 4.22Å; L59-I584 HydrophobicContact CD1-CG2 3.53Å; L59-Q585 HydrophobicContact CD2-CG 3.78Å
60	K	90.1	Very high	90.3	Very high	158 Å²	158	42.1 Å²	42.1	69%	0.687	24%	0.242	S	C	*	.	H	α-helix	trans	-67	-45.7	174.9	-71.1	-172	178.8	-177.2	0	111.9	T58 C63 I64	T58-K60 PolarHBondContact O-N 3.09Å; K60-C63 PolarHBondContact O-N 3.06Å; K60-I64 WeakPolarHBondContact O-CG1 3.38Å; K60-I64 PolarHBondContact O-N 3.01Å
61	Q	93.1	Very high	90.7	Very high	100 Å²	100	43.4 Å²	43.4	47%	0.467	25%	0.25	S	S	.	.	H	α-helix	trans	-64.8	-41.4	176.5	-69.8	161.1	-49.3	0	0	111.2	V57 T58 C63 I64 L65	V57-Q61 HydrophobicContact CG1-CB 3.64Å; T58-Q61 WeakPolarHBondContact O-CA 3.27Å; T58-Q61 WeakPolarHBondContact O-CB 3.49Å; T58-Q61 PolarHBondContact O-N 3.22Å; T58-Q61 VanDerWaalsContact OG1-CD 3.3Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.46Å; T58-Q61 PolarHBondContact OG1-OE1 3.27Å; Q61-C63 PolarHBondContact O-N 3.38Å; Q61-I64 PolarHBondContact O-N 2.67Å; Q61-L65 WeakPolarHBondContact O-CG 3.4Å; Q61-L65 PolarHBondContact O-N 3.04Å
62	A	91.5	Very high	91	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-58.5	-46.5	176	0	0	0	0	0	111.8	F48 V52 V57 T58 I64 L65 A66	F48-A62 HydrophobicContact CB-CB 4.02Å; F48-A62 HydrophobicContact CD1-CB 3.72Å; F48-A62 HydrophobicContact CE1-CB 4.47Å; F48-A62 HydrophobicContact CG-CB 3.97Å; V52-A62 HydrophobicContact CG2-CB 3.67Å; V57-A62 HydrophobicContact CG1-CB 3.95Å; T58-A62 PolarHBondContact O-N 3.37Å; A62-I64 VanDerWaalsContact C-N 3.34Å; A62-I64 PolarHBondContact O-N 3.37Å; A62-L65 PolarHBondContact O-N 3.45Å; A62-A66 WeakPolarHBondContact O-CB 3.48Å; A62-A66 PolarHBondContact O-N 3.25Å
63	C	91.6	Very high	91.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62	-38.7	176.2	-64.2	0	0	0	0	112.8	L59 K60 Q61 S67 W577 R581	L59-C63 PolarHBondContact O-N 3.14Å; L59-C63 VanDerWaalsContact O-N 3.09Å; L59-C63 PolarHBondContact O-SG 3.37Å; K60-C63 PolarHBondContact O-N 3.06Å; Q61-C63 PolarHBondContact O-N 3.38Å; C63-S67 WeakPolarHBondContact O-CB 3.25Å; C63-S67 PolarHBondContact O-N 3.34Å; C63-S67 PolarHBondContact O-OG 3.12Å; C63-W577 HydrophobicContact CB-CD2 4.33Å; C63-W577 HydrophobicContact CB-CZ2 3.84Å; C63-W577 PolarHBondContact O-NE1 3.33Å; C63-R581 VanDerWaalsContact SG-CG 3.51Å
64	I	94.3	Very high	91.8	Very high	86 Å²	86	43.1 Å²	43.1	44%	0.441	24%	0.241	S	C	.	.	H	α-helix	trans	-68.8	-49.3	179.4	-66.7	164.1	0	0	0	110.9	K60 Q61 A62 S67 I68 W577	K60-I64 WeakPolarHBondContact O-CG1 3.38Å; K60-I64 PolarHBondContact O-N 3.01Å; Q61-I64 PolarHBondContact O-N 2.67Å; A62-I64 VanDerWaalsContact C-N 3.34Å; A62-I64 PolarHBondContact O-N 3.37Å; I64-S67 PolarHBondContact O-N 3.12Å; I64-I68 HydrophobicContact CG2-CD1 4.35Å; I64-I68 WeakPolarHBondContact O-CG1 3.35Å; I64-I68 PolarHBondContact O-N 3.36Å; I64-W577 HydrophobicContact CG1-CH2 3.89Å; I64-W577 HydrophobicContact CG1-CZ2 3.68Å
65	L	94	Very high	92.3	Very high	47 Å²	47	43.3 Å²	43.3	25%	0.246	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-47.1	179.6	-69.6	171	0	0	0	110.8	F48 Q61 A62 S67 I68 F69 I520	F48-L65 HydrophobicContact CE1-CB 4.01Å; F48-L65 HydrophobicContact CE1-CD1 4.15Å; F48-L65 HydrophobicContact CE2-CB 4.45Å; F48-L65 HydrophobicContact CZ-CB 3.58Å; F48-L65 HydrophobicContact CZ-CD1 4.45Å; Q61-L65 WeakPolarHBondContact O-CG 3.4Å; Q61-L65 PolarHBondContact O-N 3.04Å; A62-L65 PolarHBondContact O-N 3.45Å; L65-S67 PolarHBondContact O-N 3.4Å; L65-I68 PolarHBondContact O-N 3.37Å; L65-F69 HydrophobicContact CD2-CE2 4.46Å; L65-F69 VanDerWaalsContact O-CD2 3.29Å; L65-F69 WeakPolarHBondContact O-CD2 3.42Å; L65-F69 PolarHBondContact O-N 3.43Å; L65-I520 HydrophobicContact CD1-CG2 4.37Å
66	A	93.2	Very high	92.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55.5	-51.7	175	0	0	0	0	0	111.3	V44 F48 A62 I68 F69 E70 S527 L576	V44-A66 HydrophobicContact CG1-CB 3.75Å; F48-A66 HydrophobicContact CD2-CB 3.75Å; F48-A66 HydrophobicContact CE2-CB 3.61Å; A62-A66 WeakPolarHBondContact O-CB 3.48Å; A62-A66 PolarHBondContact O-N 3.25Å; A66-I68 PolarHBondContact O-N 3.47Å; A66-F69 PolarHBondContact O-N 3Å; A66-E70 HydrophobicContact CB-CG 4.36Å; A66-E70 VanDerWaalsContact O-CB 3.23Å; A66-E70 WeakPolarHBondContact O-CB 3.22Å; A66-E70 WeakPolarHBondContact O-CG 3.5Å; A66-E70 PolarHBondContact O-N 3.37Å; A66-S527 WeakPolarHBondContact CA-OG 3.32Å; A66-S527 PolarHBondContact O-OG 2.88Å; A66-L576 HydrophobicContact CB-CD2 3.54Å
67	S	94.4	Very high	92.8	Very high	22 Å²	22	41 Å²	41	15%	0.154	21%	0.212	C	C	.	.	H	α-helix	trans	-54.9	-33.4	-179.4	-68.5	0	0	0	0	114.7	C63 I64 L65 T71 C573 W577	C63-S67 WeakPolarHBondContact O-CB 3.25Å; C63-S67 PolarHBondContact O-N 3.34Å; C63-S67 PolarHBondContact O-OG 3.12Å; I64-S67 PolarHBondContact O-N 3.12Å; L65-S67 PolarHBondContact O-N 3.4Å; S67-T71 WeakPolarHBondContact O-CB 3.45Å; S67-T71 PolarHBondContact O-OG1 3Å; S67-C573 WeakPolarHBondContact CA-SG 3.24Å; S67-C573 PolarHBondContact O-SG 3.2Å; S67-C573 VanDerWaalsContact O-SG 3.35Å; S67-W577 PolarHBondContact OG-NE1 3.25Å
68	I	95.9	Very high	92.9	Very high	90 Å²	90	40.7 Å²	40.7	46%	0.462	21%	0.211	S	C	.	.	H	α-helix	trans	-71.9	-54.5	174.6	-62.8	165.5	0	0	0	110.1	I64 L65 A66 T71 V72	I64-I68 HydrophobicContact CG2-CD1 4.35Å; I64-I68 WeakPolarHBondContact O-CG1 3.35Å; I64-I68 PolarHBondContact O-N 3.36Å; L65-I68 PolarHBondContact O-N 3.37Å; A66-I68 PolarHBondContact O-N 3.47Å; I68-T71 PolarHBondContact O-N 2.88Å; I68-V72 WeakPolarHBondContact O-CB 3.37Å; I68-V72 VanDerWaalsContact O-CG2 3.23Å; I68-V72 WeakPolarHBondContact O-CG2 3.45Å; I68-V72 PolarHBondContact O-N 3.37Å
69	F	95.3	Very high	92.8	Very high	68 Å²	68	37.1 Å²	37.1	30%	0.298	19%	0.189	S	C	.	.	H	α-helix	trans	-74	-36.2	-172.7	-73.6	-73.4	0	0	0	113.7	L65 A66 V72 G73 C524 F528	L65-F69 HydrophobicContact CD2-CE2 4.46Å; L65-F69 VanDerWaalsContact O-CD2 3.29Å; L65-F69 WeakPolarHBondContact O-CD2 3.42Å; L65-F69 PolarHBondContact O-N 3.43Å; A66-F69 PolarHBondContact O-N 3Å; F69-V72 PolarHBondContact O-N 3.29Å; F69-G73 PolarHBondContact O-N 2.89Å; F69-C524 WeakPolarHBondContact CB-O 3.25Å; F69-C524 HydrophobicContact CD1-CB 4.36Å; F69-C524 HydrophobicContact CD2-CB 3.53Å; F69-C524 HydrophobicContact CE1-CB 4.32Å; F69-C524 HydrophobicContact CE2-CB 3.51Å; F69-C524 VanDerWaalsContact CE2-SG 3.51Å; F69-C524 HydrophobicContact CG-CB 4Å; F69-C524 HydrophobicContact CZ-CB 3.93Å; F69-F528 HydrophobicContact CB-CB 4.28Å; F69-F528 HydrophobicContact CD1-CB 4.28Å; F69-F528 WeakPolarHBondContact O-CA 3.44Å
70	E	94.4	Very high	92.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-54	-52.5	168.6	-68.9	-51.8	142.6	0	0	111.1	V44 A66 G73 S74 S527 H530 G531 I572	V44-E70 HydrophobicContact CG2-CG 4.42Å; A66-E70 HydrophobicContact CB-CG 4.36Å; A66-E70 VanDerWaalsContact O-CB 3.23Å; A66-E70 WeakPolarHBondContact O-CB 3.22Å; A66-E70 WeakPolarHBondContact O-CG 3.5Å; A66-E70 PolarHBondContact O-N 3.37Å; E70-G73 PolarHBondContact O-N 3.13Å; E70-S74 WeakPolarHBondContact O-CB 3.43Å; E70-S74 PolarHBondContact O-N 3.24Å; E70-S527 WeakPolarHBondContact CG-OG 3.47Å; E70-S527 PolarHBondContact N-OG 3.18Å; E70-S527 VanDerWaalsContact OE1-CA 3.29Å; E70-S527 WeakPolarHBondContact OE1-CA 3.07Å; E70-S527 WeakPolarHBondContact OE1-CB 3.4Å; E70-S527 PolarHBondContact OE1-OG 3.31Å; E70-H530 VanDerWaalsContact CD-ND1 3.29Å; E70-H530 IonicContact OE1-CG 3.23Å; E70-H530 IonicContact OE1-ND1 2.64Å; E70-H530 PolarHBondContact OE1-ND1 3.43Å; E70-H530 IonicContact OE2-CE1 3.3Å; E70-H530 IonicContact OE2-CG 3.63Å; E70-H530 IonicContact OE2-ND1 3.81Å; E70-H530 PolarHBondContact OE2-ND1 3.07Å; E70-G531 WeakPolarHBondContact OE2-CA 3.25Å; E70-G531 PolarHBondContact OE2-N 3.18Å; E70-G531 VanDerWaalsContact OE2-N 3.1Å; E70-I572 HydrophobicContact CB-CG2 4.13Å; E70-I572 HydrophobicContact CG-CG2 4.02Å
71	T	94.8	Very high	92.8	Very high	30 Å²	30	31.6 Å²	31.6	18%	0.184	16%	0.164	C	C	.	.	H	α-helix	trans	-66.3	-41.1	-177.5	-55	0	0	0	0	111.6	S67 I68 V75 L566 C573	S67-T71 WeakPolarHBondContact O-CB 3.45Å; S67-T71 PolarHBondContact O-OG1 3Å; I68-T71 PolarHBondContact O-N 2.88Å; T71-V75 WeakPolarHBondContact O-CB 3.39Å; T71-V75 WeakPolarHBondContact O-CG2 3.44Å; T71-V75 PolarHBondContact O-N 3.2Å; T71-L566 HydrophobicContact CG2-CD1 3.69Å; T71-C573 PolarHBondContact OG1-SG 3.37Å
72	V	94.7	Very high	92.7	Very high	61 Å²	61	26.9 Å²	26.9	37%	0.37	14%	0.142	S	C	.	.	H	α-helix	trans	-69.1	-39.7	178.7	171.5	0	0	0	0	111.3	I68 F69 L76 F528	I68-V72 WeakPolarHBondContact O-CB 3.37Å; I68-V72 VanDerWaalsContact O-CG2 3.23Å; I68-V72 WeakPolarHBondContact O-CG2 3.45Å; I68-V72 PolarHBondContact O-N 3.37Å; F69-V72 PolarHBondContact O-N 3.29Å; V72-L76 HydrophobicContact CG1-CD1 3.65Å; V72-L76 HydrophobicContact CG1-CG 4.35Å; V72-L76 VanDerWaalsContact O-CB 3.26Å; V72-L76 WeakPolarHBondContact O-CB 3.44Å; V72-L76 VanDerWaalsContact O-CG 3.24Å; V72-L76 WeakPolarHBondContact O-CG 3.39Å; V72-L76 PolarHBondContact O-N 3.42Å; V72-F528 HydrophobicContact CG1-CD2 4.07Å; V72-F528 HydrophobicContact CG1-CE2 4.01Å
73	G	93.8	Very high	92.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64	-48.1	173.7	0	0	0	0	0	112.4	F69 E70 V75 L76 L77 G78 F528 G532	F69-G73 PolarHBondContact O-N 2.89Å; E70-G73 PolarHBondContact O-N 3.13Å; G73-V75 PolarHBondContact O-N 2.95Å; G73-L76 PolarHBondContact O-N 2.93Å; G73-L77 PolarHBondContact O-N 2.89Å; G73-G78 PolarHBondContact O-N 3.34Å; G73-F528 VanDerWaalsContact CA-CE2 3.44Å; G73-F528 WeakPolarHBondContact CA-O 3.19Å; G73-G532 VanDerWaalsContact O-CA 3.32Å; G73-G532 WeakPolarHBondContact O-CA 3.5Å
74	S	93.8	Very high	92.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-52.8	-51.6	174.9	162	0	0	0	0	112.4	E70 G78 G531 V535 L565	E70-S74 WeakPolarHBondContact O-CB 3.43Å; E70-S74 PolarHBondContact O-N 3.24Å; S74-G78 VanDerWaalsContact O-CA 3.3Å; S74-G78 WeakPolarHBondContact O-CA 3.19Å; S74-G78 PolarHBondContact O-N 2.81Å; S74-G531 VanDerWaalsContact CA-O 3.23Å; S74-G531 WeakPolarHBondContact CA-O 3.3Å; S74-G531 PolarHBondContact N-O 2.83Å; S74-V535 WeakPolarHBondContact OG-CG2 3.26Å; S74-L565 PolarHBondContact OG-O 3.01Å
75	V	93.2	Very high	92.3	Very high	31 Å²	31	27 Å²	27	19%	0.188	14%	0.143	C	C	.	.	H	α-helix	trans	-69.6	-38.7	-179	164.2	0	0	0	0	112.5	T71 G73 A218 I562 L566	T71-V75 WeakPolarHBondContact O-CB 3.39Å; T71-V75 WeakPolarHBondContact O-CG2 3.44Å; T71-V75 PolarHBondContact O-N 3.2Å; G73-V75 PolarHBondContact O-N 2.95Å; V75-A218 WeakPolarHBondContact O-CB 3.41Å; V75-I562 HydrophobicContact CG1-CG2 3.97Å; V75-L566 HydrophobicContact CG2-CB 3.96Å; V75-L566 HydrophobicContact CG2-CD1 4.12Å
76	L	92.1	Very high	92	Very high	41 Å²	41	25.6 Å²	25.6	22%	0.215	13%	0.134	C	C	.	.	H	α-helix	trans	-89.1	-29.9	-172.1	-63.6	179.8	0	0	0	114.4	V72 G73 I213 G217 A218 L221 F528	V72-L76 HydrophobicContact CG1-CD1 3.65Å; V72-L76 HydrophobicContact CG1-CG 4.35Å; V72-L76 VanDerWaalsContact O-CB 3.26Å; V72-L76 WeakPolarHBondContact O-CB 3.44Å; V72-L76 VanDerWaalsContact O-CG 3.24Å; V72-L76 WeakPolarHBondContact O-CG 3.39Å; V72-L76 PolarHBondContact O-N 3.42Å; G73-L76 PolarHBondContact O-N 2.93Å; L76-I213 HydrophobicContact CB-CG1 4.18Å; L76-I213 HydrophobicContact CB-CG2 4.36Å; L76-I213 HydrophobicContact CD1-CD1 3.91Å; L76-I213 HydrophobicContact CD1-CG1 4.31Å; L76-I213 HydrophobicContact CD1-CG2 4.44Å; L76-G217 CarbonylContact O-C 3.55Å; L76-G217 WeakPolarHBondContact O-CA 3.49Å; L76-A218 PolarHBondContact O-N 2.88Å; L76-L221 HydrophobicContact CD2-CD1 4.02Å; L76-F528 HydrophobicContact CB-CE2 4.42Å; L76-F528 HydrophobicContact CD1-CE2 4.3Å
77	L	90.9	Very high	91.6	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-119.7	-24.2	-177.8	-62.4	-176.2	0	0	0	114.5	G73 A79 K80 S212 I213 F528 V611	G73-L77 PolarHBondContact O-N 2.89Å; L77-A79 PolarHBondContact O-N 3.08Å; L77-K80 PolarHBondContact O-N 3Å; L77-S212 WeakPolarHBondContact CD1-OG 3.37Å; L77-S212 WeakPolarHBondContact CD2-OG 3.41Å; L77-I213 HydrophobicContact CD2-CG1 4.09Å; L77-F528 HydrophobicContact CD1-CD1 4.39Å; L77-F528 HydrophobicContact CD1-CE1 3.46Å; L77-F528 VanDerWaalsContact CD1-CE1 3.46Å; L77-F528 HydrophobicContact CD1-CZ 3.69Å; L77-F528 HydrophobicContact CG-CE1 4.19Å; L77-F528 HydrophobicContact CG-CZ 3.88Å; L77-V611 HydrophobicContact CD1-CG2 4.33Å
78	G	90.7	Very high	91.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.1	-18.4	-172.5	0	0	0	0	0	115.6	G73 S74 K80 S82 G532	G73-G78 PolarHBondContact O-N 3.34Å; S74-G78 VanDerWaalsContact O-CA 3.3Å; S74-G78 WeakPolarHBondContact O-CA 3.19Å; S74-G78 PolarHBondContact O-N 2.81Å; G78-K80 PolarHBondContact O-N 3.2Å; G78-S82 VanDerWaalsContact O-CB 3.3Å; G78-S82 WeakPolarHBondContact O-CB 3.31Å; G78-S82 PolarHBondContact O-N 3.49Å; G78-S82 PolarHBondContact O-OG 3.15Å; G78-G532 VanDerWaalsContact CA-O 3.31Å; G78-G532 WeakPolarHBondContact CA-O 3.04Å
79	A	89.8	Confident	90.8	Very high	7 Å²	7	23.3 Å²	23.3	6%	0.058	12%	0.122	C	C	.	.	H	α-helix	trans	-54.3	-50.3	176.6	0	0	0	0	0	112.2	L77 S82 E83 L565	L77-A79 PolarHBondContact O-N 3.08Å; A79-S82 WeakPolarHBondContact O-CB 3.34Å; A79-S82 PolarHBondContact O-N 3.28Å; A79-E83 WeakPolarHBondContact O-CG 3.06Å; A79-E83 PolarHBondContact O-N 3.06Å; A79-L565 HydrophobicContact CB-CD1 3.98Å
80	K	88.4	Confident	90.6	Very high	77 Å²	77	20.3 Å²	20.3	34%	0.335	11%	0.109	S	C	.	.	H	α-helix	trans	-70.2	-45.8	-166.6	-163.4	72.2	-151	155	0	113.2	L77 G78 S82 E83	L77-K80 PolarHBondContact O-N 3Å; G78-K80 PolarHBondContact O-N 3.2Å; K80-S82 VanDerWaalsContact C-N 3.3Å; K80-S82 PolarHBondContact O-N 3.26Å; K80-E83 IonicContact NZ-OE2 2.93Å; K80-E83 PolarHBondContact NZ-OE2 3.41Å; K80-E83 PolarHBondContact O-N 3.41Å
81	V	89.8	Confident	90.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.4	-33.2	177.7	-166.3	0	0	0	0	111	E83 T84 I85 S536 P619	V81-E83 VanDerWaalsContact C-N 3.29Å; V81-E83 PolarHBondContact O-N 3.27Å; V81-T84 PolarHBondContact O-N 3.37Å; V81-T84 VanDerWaalsContact O-N 3.15Å; V81-I85 PolarHBondContact O-N 3.49Å; V81-I85 VanDerWaalsContact O-N 3.07Å; V81-S536 VanDerWaalsContact CG1-OG 3.23Å; V81-S536 WeakPolarHBondContact CG1-OG 3.42Å; V81-P619 HydrophobicContact CG1-CB 3.68Å
82	S	91.1	Very high	90	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.2	-34.7	173.6	-59.3	0	0	0	0	112.5	G78 A79 K80 R86 S536	G78-S82 VanDerWaalsContact O-CB 3.3Å; G78-S82 WeakPolarHBondContact O-CB 3.31Å; G78-S82 PolarHBondContact O-N 3.49Å; G78-S82 PolarHBondContact O-OG 3.15Å; A79-S82 WeakPolarHBondContact O-CB 3.34Å; A79-S82 PolarHBondContact O-N 3.28Å; K80-S82 VanDerWaalsContact C-N 3.3Å; K80-S82 PolarHBondContact O-N 3.26Å; S82-R86 WeakPolarHBondContact O-CB 3.5Å; S82-R86 PolarHBondContact O-N 3.07Å; S82-S536 WeakPolarHBondContact OG-CA 3.41Å; S82-S536 WeakPolarHBondContact OG-CB 3.49Å
83	E	88.9	Confident	89.7	Confident	51 Å²	51	23.6 Å²	23.6	24%	0.238	12%	0.12	C	C	.	.	H	α-helix	trans	-65.2	-39.2	174.7	-60	-166.9	124.1	0	0	112.4	A79 K80 V81 R86 K87	A79-E83 WeakPolarHBondContact O-CG 3.06Å; A79-E83 PolarHBondContact O-N 3.06Å; K80-E83 IonicContact NZ-OE2 2.93Å; K80-E83 PolarHBondContact NZ-OE2 3.41Å; K80-E83 PolarHBondContact O-N 3.41Å; V81-E83 VanDerWaalsContact C-N 3.29Å; V81-E83 PolarHBondContact O-N 3.27Å; E83-R86 PolarHBondContact O-N 2.84Å; E83-R86 IonicContact OE1-NH2 3.85Å; E83-R86 PolarHBondContact OE1-NH2 3.32Å; E83-K87 PolarHBondContact O-N 3.41Å
84	T	89.6	Confident	89.4	Confident	34 Å²	34	26.3 Å²	26.3	21%	0.209	13%	0.134	C	C	.	.	H	α-helix	trans	-68	-43.4	178.9	-54.4	0	0	0	0	111.7	V81 R86 G88 I158 G617 P619	V81-T84 PolarHBondContact O-N 3.37Å; V81-T84 VanDerWaalsContact O-N 3.15Å; T84-R86 VanDerWaalsContact C-N 3.33Å; T84-G88 VanDerWaalsContact O-CA 3.25Å; T84-G88 WeakPolarHBondContact O-CA 3.45Å; T84-G88 PolarHBondContact O-N 3.03Å; T84-I158 HydrophobicContact CG2-CD1 4.14Å; T84-G617 WeakPolarHBondContact CB-O 3.26Å; T84-G617 WeakPolarHBondContact CG2-O 3.49Å; T84-G617 PolarHBondContact OG1-O 2.95Å; T84-P619 HydrophobicContact CG2-CG 4.27Å
85	I	89.8	Confident	89.1	Confident	5 Å²	5	26.3 Å²	26.3	3%	0.026	13%	0.134	C	C	.	.	H	α-helix	trans	-65.6	-38.8	174.4	-65.7	-178.3	0	0	0	110.7	V81 L89 I133 S536 N537 P541 P619	V81-I85 PolarHBondContact O-N 3.49Å; V81-I85 VanDerWaalsContact O-N 3.07Å; I85-L89 HydrophobicContact CG2-CD1 4.3Å; I85-I133 HydrophobicContact CD1-CG2 4.24Å; I85-I133 HydrophobicContact CG2-CG1 4.45Å; I85-S536 WeakPolarHBondContact CD1-OG 3.35Å; I85-N537 WeakPolarHBondContact CD1-OD1 3.44Å; I85-P541 HydrophobicContact CG2-CG 4.18Å; I85-P619 HydrophobicContact CD1-CB 4.06Å; I85-P619 HydrophobicContact CG1-CB 4.05Å; I85-P619 HydrophobicContact CG1-CG 4.23Å
86	R	87.8	Confident	88.8	Confident	18 Å²	18	28.5 Å²	28.5	7%	0.068	15%	0.145	C	C	.	.	H	α-helix	trans	-63.4	-38.3	178	-179.1	-176.5	62.6	162	-10.4	114.4	S82 E83 T84 A544 V558	S82-R86 WeakPolarHBondContact O-CB 3.5Å; S82-R86 PolarHBondContact O-N 3.07Å; E83-R86 PolarHBondContact O-N 2.84Å; E83-R86 IonicContact OE1-NH2 3.85Å; E83-R86 PolarHBondContact OE1-NH2 3.32Å; T84-R86 VanDerWaalsContact C-N 3.33Å; R86-A544 HydrophobicContact CG-CB 3.95Å; R86-V558 PolarHBondContact NH1-O 2.86Å
87	K	85.4	Confident	88.4	Confident	48 Å²	48	31.8 Å²	31.8	21%	0.209	17%	0.171	C	C	.	.	H	α-helix	trans	-135.2	-16.2	-168.8	-64.7	-164	178.4	179.5	0	117.1	E83 K151 S555 S556	E83-K87 PolarHBondContact O-N 3.41Å; K87-K151 PolarHBondContact O-NZ 2.99Å; K87-S555 PolarHBondContact NZ-O 3.49Å; K87-S556 PolarHBondContact NZ-O 3.33Å
88	G	84	Confident	88.3	Confident	15 Å²	15	34 Å²	34	16%	0.155	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-30	-175.8	0	0	0	0	0	113.5	T84 K151 E154	T84-G88 VanDerWaalsContact O-CA 3.25Å; T84-G88 WeakPolarHBondContact O-CA 3.45Å; T84-G88 PolarHBondContact O-N 3.03Å; G88-K151 WeakPolarHBondContact O-CB 3.23Å; G88-E154 WeakPolarHBondContact O-CB 3.23Å
89	L	88.8	Confident	88.2	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-79.3	-38.6	-173.4	-61.4	175.1	0	0	0	113.9	I85 V134 T137 K151 I158	I85-L89 HydrophobicContact CG2-CD1 4.3Å; L89-V134 HydrophobicContact CD1-CB 4.45Å; L89-V134 HydrophobicContact CD1-CG1 4.49Å; L89-V134 HydrophobicContact CD1-CG2 4.03Å; L89-V134 HydrophobicContact CD2-CG1 3.88Å; L89-V134 HydrophobicContact CD2-CG2 4.2Å; L89-T137 HydrophobicContact CB-CG2 4.05Å; L89-T137 HydrophobicContact CD1-CG2 3.76Å; L89-K151 PolarHBondContact O-N 3.38Å; L89-I158 HydrophobicContact CD2-CD1 3.56Å
90	I	90.8	Very high	88.1	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.026	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-127.7	154.7	-167.9	59.9	177.4	0	0	0	110.8	V92 L102 T137 F140 G149 K151	I90-V92 HydrophobicContact CD1-CG1 4.21Å; I90-V92 HydrophobicContact CG1-CG1 3.92Å; I90-V92 PolarHBondContact O-N 3.09Å; I90-L102 HydrophobicContact CD1-CD1 3.67Å; I90-T137 HydrophobicContact CD1-CG2 4.46Å; I90-T137 HydrophobicContact CG2-CG2 3.85Å; I90-F140 HydrophobicContact CD1-CE2 4.47Å; I90-F140 HydrophobicContact CD1-CZ 3.74Å; I90-G149 VanDerWaalsContact CA-O 3.31Å; I90-G149 WeakPolarHBondContact CA-O 3.46Å; I90-G149 WeakPolarHBondContact CB-O 3.35Å; I90-K151 WeakPolarHBondContact O-CD 3.33Å; I90-K151 WeakPolarHBondContact O-CE 3.43Å; I90-K151 PolarHBondContact O-NZ 3.2Å
91	D	89.3	Confident	88.3	Confident	48 Å²	48	36.1 Å²	36.1	26%	0.257	20%	0.2	S	C	.	.			trans	-85.8	91.5	169.5	-156.5	17.1	0	0	0	113.5	E93 M94 Y95 G149 K151	D91-E93 PolarHBondContact O-N 3.18Å; D91-M94 HydrophobicContact CB-CG 4.22Å; D91-M94 PolarHBondContact O-N 3.44Å; D91-Y95 WeakPolarHBondContact O-CD2 3.33Å; D91-G149 PolarHBondContact N-O 3Å; D91-G149 VanDerWaalsContact N-O 3.12Å; D91-K151 HydrophobicContact CB-CG 4.47Å; D91-K151 VanDerWaalsContact OD1-CE 3.27Å; D91-K151 WeakPolarHBondContact OD1-CE 3.38Å; D91-K151 IonicContact OD1-NZ 3.73Å; D91-K151 PolarHBondContact OD1-NZ 3.45Å
92	V	87.5	Confident	88.3	Confident	7 Å²	7	36.3 Å²	36.3	4%	0.042	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-58.4	-32.2	-179.8	-57.7	0	0	0	0	112.2	I90 M94 Y95 L102 V554	I90-V92 HydrophobicContact CD1-CG1 4.21Å; I90-V92 HydrophobicContact CG1-CG1 3.92Å; I90-V92 PolarHBondContact O-N 3.09Å; V92-M94 PolarHBondContact O-N 3.47Å; V92-Y95 WeakPolarHBondContact O-CB 3.37Å; V92-Y95 PolarHBondContact O-N 2.92Å; V92-L102 HydrophobicContact CB-CD2 4.48Å; V92-V554 HydrophobicContact CB-CG1 3.68Å; V92-V554 HydrophobicContact CG2-CG1 4.32Å; V92-V554 WeakPolarHBondContact O-CG1 3.34Å
93	E	88.3	Confident	88.4	Confident	105 Å²	105	36.4 Å²	36.4	49%	0.491	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-68.9	-24.2	-173.6	-54.8	-162	165.3	0	0	112.5	D91 Y95 N96 S555	D91-E93 PolarHBondContact O-N 3.18Å; E93-Y95 PolarHBondContact O-N 2.92Å; E93-Y95 VanDerWaalsContact O-N 3.17Å; E93-N96 WeakPolarHBondContact O-CB 3.5Å; E93-N96 PolarHBondContact O-N 3.05Å; E93-N96 PolarHBondContact O-ND2 3.15Å; E93-S555 WeakPolarHBondContact OE1-CB 3.37Å; E93-S555 PolarHBondContact OE1-OG 3.27Å
94	M	87.8	Confident	88.6	Confident	57 Å²	57	35.9 Å²	35.9	28%	0.281	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-69	-7.5	170.8	-53.1	-151.6	-44.9	0	0	114	D91 V92 K145 E148	D91-M94 HydrophobicContact CB-CG 4.22Å; D91-M94 PolarHBondContact O-N 3.44Å; V92-M94 PolarHBondContact O-N 3.47Å; M94-K145 HydrophobicContact CE-CB 3.76Å; M94-K145 HydrophobicContact CE-CD 4.33Å; M94-K145 HydrophobicContact CE-CG 4.08Å; M94-K145 PolarHBondContact O-NZ 2.89Å; M94-E148 VanDerWaalsContact CE-C 3.45Å; M94-E148 HydrophobicContact CE-CB 3.96Å; M94-E148 WeakPolarHBondContact CE-O 3.45Å; M94-E148 HydrophobicContact SD-CB 4.28Å
95	Y	88.3	Confident	88.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-103.2	4	175.5	-61.8	-99.8	0	0	0	113.2	D91 V92 E93 S97 T98 Q99 L101 L102 S141 A144 K145	D91-Y95 WeakPolarHBondContact O-CD2 3.33Å; V92-Y95 WeakPolarHBondContact O-CB 3.37Å; V92-Y95 PolarHBondContact O-N 2.92Å; E93-Y95 PolarHBondContact O-N 2.92Å; E93-Y95 VanDerWaalsContact O-N 3.17Å; Y95-S97 PolarHBondContact O-N 3.27Å; Y95-S97 VanDerWaalsContact O-N 3.16Å; Y95-T98 CarbonylContact O-C 3.15Å; Y95-T98 PolarHBondContact O-N 3.32Å; Y95-Q99 PolarHBondContact O-N 3.21Å; Y95-L101 HydrophobicContact CD1-CB 4.46Å; Y95-L101 HydrophobicContact CD1-CD2 4.46Å; Y95-L101 HydrophobicContact CD1-CG 4.42Å; Y95-L101 HydrophobicContact CE1-CD2 4.26Å; Y95-L101 HydrophobicContact CE1-CG 4.23Å; Y95-L102 HydrophobicContact CD1-CB 3.81Å; Y95-L102 HydrophobicContact CD2-CD1 4.45Å; Y95-L102 HydrophobicContact CG-CB 3.95Å; Y95-L102 HydrophobicContact CG-CD1 4.42Å; Y95-S141 PolarHBondContact OH-OG 3.13Å; Y95-A144 HydrophobicContact CE1-CB 4.18Å; Y95-K145 HydrophobicContact CE1-CD 4.4Å; Y95-K145 HydrophobicContact CE1-CG 3.87Å; Y95-K145 HydrophobicContact CE2-CG 3.87Å; Y95-K145 VanDerWaalsContact CZ-CG 3.45Å; Y95-K145 WeakPolarHBondContact OH-CG 3.48Å
96	N	86.1	Confident	89	Confident	77 Å²	77	34.5 Å²	34.5	41%	0.412	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-37.9	178.6	-80.3	-28.7	0	0	0	113.4	E93 Q99	E93-N96 WeakPolarHBondContact O-CB 3.5Å; E93-N96 PolarHBondContact O-N 3.05Å; E93-N96 PolarHBondContact O-ND2 3.15Å; N96-Q99 WeakPolarHBondContact O-CG 3.45Å; N96-Q99 PolarHBondContact O-NE2 3.39Å
97	S	83.7	Confident	89.3	Confident	111 Å²	111	34.4 Å²	34.4	78%	0.776	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-8.2	175.6	55.5	0	0	0	0	114.5	Y95	Y95-S97 PolarHBondContact O-N 3.27Å; Y95-S97 VanDerWaalsContact O-N 3.16Å
98	T	87.8	Confident	89.8	Confident	48 Å²	48	35.6 Å²	35.6	29%	0.294	21%	0.214	S	C	.	.			trans	-132.8	51.4	-175.2	62.6	0	0	0	0	110.5	Y95 G100 L101 L102 K145	Y95-T98 CarbonylContact O-C 3.15Å; Y95-T98 PolarHBondContact O-N 3.32Å; T98-G100 PolarHBondContact O-N 3.05Å; T98-L101 VanDerWaalsContact O-CB 3.3Å; T98-L101 WeakPolarHBondContact O-CB 3.48Å; T98-L101 PolarHBondContact O-N 2.9Å; T98-L102 PolarHBondContact O-N 2.82Å; T98-K145 PolarHBondContact OG1-NZ 3.04Å
99	Q	89.4	Confident	90.3	Very high	45 Å²	45	34.9 Å²	34.9	21%	0.21	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-44.4	-170.9	-53.5	-169.1	-17.9	0	0	112.5	Y95 N96 L101 L102 M103 V548 G552 V554	Y95-Q99 PolarHBondContact O-N 3.21Å; N96-Q99 WeakPolarHBondContact O-CG 3.45Å; N96-Q99 PolarHBondContact O-NE2 3.39Å; Q99-L101 PolarHBondContact O-N 3.49Å; Q99-L102 WeakPolarHBondContact O-CB 3.41Å; Q99-L102 PolarHBondContact O-N 2.9Å; Q99-M103 PolarHBondContact O-N 3.23Å; Q99-V548 HydrophobicContact CB-CG1 4.08Å; Q99-G552 PolarHBondContact NE2-O 3.01Å; Q99-V554 HydrophobicContact CB-CG2 4.25Å; Q99-V554 HydrophobicContact CG-CG2 3.84Å
100	G	88.5	Confident	90.7	Very high	11 Å²	11	34.9 Å²	34.9	11%	0.113	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-25.7	175.4	0	0	0	0	0	114.8	Y21 T98 A104	Y21-G100 VanDerWaalsContact CE1-CA 3.43Å; T98-G100 PolarHBondContact O-N 3.05Å; G100-A104 WeakPolarHBondContact O-CB 3.35Å; G100-A104 PolarHBondContact O-N 3.17Å
101	L	91.2	Very high	90.9	Very high	74 Å²	74	40.2 Å²	40.2	39%	0.387	23%	0.23	S	C	.	.	H	α-helix	trans	-72.9	-37.2	174.9	-176.6	62.3	0	0	0	111.3	Y95 T98 Q99 G105 A144	Y95-L101 HydrophobicContact CD1-CB 4.46Å; Y95-L101 HydrophobicContact CD1-CD2 4.46Å; Y95-L101 HydrophobicContact CD1-CG 4.42Å; Y95-L101 HydrophobicContact CE1-CD2 4.26Å; Y95-L101 HydrophobicContact CE1-CG 4.23Å; T98-L101 VanDerWaalsContact O-CB 3.3Å; T98-L101 WeakPolarHBondContact O-CB 3.48Å; T98-L101 PolarHBondContact O-N 2.9Å; Q99-L101 PolarHBondContact O-N 3.49Å; L101-G105 PolarHBondContact O-N 3.1Å; L101-A144 HydrophobicContact CD1-CB 4.49Å; L101-A144 HydrophobicContact CD2-CB 4.12Å; L101-A144 HydrophobicContact CG-CB 4.3Å
102	L	91.1	Very high	91.1	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-70.1	-36.3	173.1	-178.6	61.8	0	0	0	111.8	I90 V92 Y95 T98 Q99 G105 S106 F140 V548 V554	I90-L102 HydrophobicContact CD1-CD1 3.67Å; V92-L102 HydrophobicContact CB-CD2 4.48Å; Y95-L102 HydrophobicContact CD1-CB 3.81Å; Y95-L102 HydrophobicContact CD2-CD1 4.45Å; Y95-L102 HydrophobicContact CG-CB 3.95Å; Y95-L102 HydrophobicContact CG-CD1 4.42Å; T98-L102 PolarHBondContact O-N 2.82Å; Q99-L102 WeakPolarHBondContact O-CB 3.41Å; Q99-L102 PolarHBondContact O-N 2.9Å; L102-G105 PolarHBondContact O-N 3.36Å; L102-S106 WeakPolarHBondContact O-CB 3.16Å; L102-S106 PolarHBondContact O-N 3.2Å; L102-S106 PolarHBondContact O-OG 3.12Å; L102-F140 HydrophobicContact CD1-CE2 4.18Å; L102-F140 HydrophobicContact CD1-CZ 3.95Å; L102-V548 HydrophobicContact CD2-CG2 4.33Å; L102-V554 HydrophobicContact CD2-CB 4.45Å; L102-V554 HydrophobicContact CD2-CG1 3.4Å; L102-V554 VanDerWaalsContact CD2-CG1 3.4Å; L102-V554 HydrophobicContact CD2-CG2 4.37Å
103	M	92.5	Very high	91.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-51	172	-66.1	-176	70.6	0	0	111	Y21 M24 Q99 G105 S106 V107 L545 V548 Y549	Y21-M103 HydrophobicContact CD1-SD 4.34Å; Y21-M103 HydrophobicContact CG-SD 4.17Å; M24-M103 HydrophobicContact CB-CE 4.47Å; M24-M103 HydrophobicContact SD-CB 3.94Å; Q99-M103 PolarHBondContact O-N 3.23Å; M103-G105 PolarHBondContact O-N 3.01Å; M103-S106 PolarHBondContact O-N 3.1Å; M103-V107 WeakPolarHBondContact O-CG2 3.33Å; M103-V107 PolarHBondContact O-N 3.47Å; M103-L545 HydrophobicContact CB-CD1 3.54Å; M103-L545 HydrophobicContact CE-CD1 3.59Å; M103-L545 HydrophobicContact CE-CG 4.49Å; M103-L545 HydrophobicContact CG-CD1 3.85Å; M103-V548 HydrophobicContact CG-CB 4.25Å; M103-V548 HydrophobicContact CG-CG1 3.72Å; M103-V548 HydrophobicContact SD-CG1 3.91Å; M103-Y549 HydrophobicContact CE-CD2 4.12Å
104	A	93.1	Very high	91.6	Very high	40 Å²	40	34.5 Å²	34.5	33%	0.331	21%	0.212	S	C	.	.	H	α-helix	trans	-61	-41.3	176.4	0	0	0	0	0	112.5	M24 G100 V107 S108	M24-A104 HydrophobicContact CE-CB 4.27Å; M24-A104 HydrophobicContact SD-CB 4.18Å; G100-A104 WeakPolarHBondContact O-CB 3.35Å; G100-A104 PolarHBondContact O-N 3.17Å; A104-V107 PolarHBondContact O-N 3.34Å; A104-S108 WeakPolarHBondContact O-CB 3.39Å; A104-S108 PolarHBondContact O-N 3.22Å
105	G	93.2	Very high	91.8	Very high	6 Å²	6	35 Å²	35	6%	0.062	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-44.2	174.1	0	0	0	0	0	112.9	L101 L102 M103 V107 S108 A109 F140	L101-G105 PolarHBondContact O-N 3.1Å; L102-G105 PolarHBondContact O-N 3.36Å; M103-G105 PolarHBondContact O-N 3.01Å; G105-V107 PolarHBondContact O-N 2.78Å; G105-S108 PolarHBondContact O-N 3.39Å; G105-A109 WeakPolarHBondContact O-CB 3.29Å; G105-A109 PolarHBondContact O-N 3.42Å; G105-F140 VanDerWaalsContact O-CD1 3.31Å; G105-F140 WeakPolarHBondContact O-CD1 3.34Å
106	S	93.8	Very high	91.9	Very high	5 Å²	5	41.4 Å²	41.4	4%	0.035	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-43.6	176.4	-56.2	0	0	0	0	112	L102 M103 M110	L102-S106 WeakPolarHBondContact O-CB 3.16Å; L102-S106 PolarHBondContact O-N 3.2Å; L102-S106 PolarHBondContact O-OG 3.12Å; M103-S106 PolarHBondContact O-N 3.1Å; S106-M110 WeakPolarHBondContact O-CG 3.4Å; S106-M110 PolarHBondContact O-N 3.47Å; S106-M110 VanDerWaalsContact O-N 3.17Å
107	V	95.7	Very high	92	Very high	15 Å²	15	37.7 Å²	37.7	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-43.3	175.4	174.7	0	0	0	0	111.2	L27 I31 M103 A104 G105 M110 F111 L545	L27-V107 HydrophobicContact CD2-CG1 4.25Å; L27-V107 HydrophobicContact CG-CG1 4.31Å; I31-V107 HydrophobicContact CD1-CG1 3.93Å; M103-V107 WeakPolarHBondContact O-CG2 3.33Å; M103-V107 PolarHBondContact O-N 3.47Å; A104-V107 PolarHBondContact O-N 3.34Å; G105-V107 PolarHBondContact O-N 2.78Å; V107-M110 PolarHBondContact O-N 3.19Å; V107-F111 WeakPolarHBondContact O-CB 3.46Å; V107-F111 PolarHBondContact O-N 2.96Å; V107-L545 HydrophobicContact CG2-CD1 4.07Å; V107-L545 HydrophobicContact CG2-CD2 3.74Å
108	S	95.1	Very high	92.2	Very high	73 Å²	73	34.4 Å²	34.4	51%	0.51	20%	0.196	S	C	.	.	H	α-helix	trans	-62.8	-45	177.3	-170.8	0	0	0	0	112.4	A104 G105 M110 F111 G112	A104-S108 WeakPolarHBondContact O-CB 3.39Å; A104-S108 PolarHBondContact O-N 3.22Å; G105-S108 PolarHBondContact O-N 3.39Å; S108-M110 PolarHBondContact O-N 3.34Å; S108-F111 PolarHBondContact O-N 2.89Å; S108-F111 VanDerWaalsContact O-N 3.16Å; S108-G112 PolarHBondContact O-N 3.48Å
109	A	94.8	Very high	92.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-59.4	-45.2	177.7	0	0	0	0	0	111.9	G105 S113 I133 A136 F140	G105-A109 WeakPolarHBondContact O-CB 3.29Å; G105-A109 PolarHBondContact O-N 3.42Å; A109-S113 VanDerWaalsContact O-CB 3.31Å; A109-S113 WeakPolarHBondContact O-CB 3.39Å; A109-S113 PolarHBondContact O-N 3.35Å; A109-S113 VanDerWaalsContact O-N 3.16Å; A109-S113 PolarHBondContact O-OG 2.85Å; A109-I133 HydrophobicContact CB-CD1 3.96Å; A109-I133 WeakPolarHBondContact O-CD1 3.32Å; A109-A136 HydrophobicContact CB-CB 4.24Å; A109-A136 WeakPolarHBondContact O-CB 3.49Å; A109-F140 HydrophobicContact CB-CD1 3.94Å; A109-F140 HydrophobicContact CB-CE1 4.16Å
110	M	96.1	Very high	91.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.9	-39.5	175.9	-65.8	-174.9	-66.5	0	0	111.9	I31 A32 L35 S106 V107 S108 A114 P541 L542 L545	I31-M110 HydrophobicContact CG2-CB 3.75Å; A32-M110 HydrophobicContact CB-CE 4.45Å; A32-M110 HydrophobicContact CB-SD 3.66Å; L35-M110 HydrophobicContact CD2-CB 3.87Å; L35-M110 HydrophobicContact CD2-CG 3.97Å; S106-M110 WeakPolarHBondContact O-CG 3.4Å; S106-M110 PolarHBondContact O-N 3.47Å; S106-M110 VanDerWaalsContact O-N 3.17Å; V107-M110 PolarHBondContact O-N 3.19Å; S108-M110 PolarHBondContact O-N 3.34Å; M110-A114 VanDerWaalsContact O-CB 3.28Å; M110-A114 WeakPolarHBondContact O-CB 3.36Å; M110-A114 PolarHBondContact O-N 3.28Å; M110-P541 HydrophobicContact CG-CB 3.67Å; M110-P541 HydrophobicContact CG-CG 3.93Å; M110-P541 HydrophobicContact SD-CB 3.88Å; M110-P541 HydrophobicContact SD-CG 4.44Å; M110-L542 HydrophobicContact SD-CB 4.15Å; M110-L545 HydrophobicContact CE-CD2 4.28Å
111	F	96	Very high	91.3	Very high	116 Å²	116	33.4 Å²	33.4	51%	0.509	19%	0.191	S	C	.	.	H	α-helix	trans	-65.6	-51.3	-180	-175.6	-103.4	0	0	0	112.6	I31 V107 S108 S113 A114 V115	I31-F111 HydrophobicContact CD1-CB 4.26Å; I31-F111 HydrophobicContact CD1-CD2 3.94Å; I31-F111 HydrophobicContact CD1-CG 4.5Å; I31-F111 HydrophobicContact CG1-CD2 4.37Å; I31-F111 HydrophobicContact CG2-CB 4.03Å; I31-F111 HydrophobicContact CG2-CD2 4.45Å; V107-F111 WeakPolarHBondContact O-CB 3.46Å; V107-F111 PolarHBondContact O-N 2.96Å; S108-F111 PolarHBondContact O-N 2.89Å; S108-F111 VanDerWaalsContact O-N 3.16Å; F111-S113 VanDerWaalsContact C-N 3.28Å; F111-S113 PolarHBondContact O-N 3.44Å; F111-A114 PolarHBondContact O-N 2.9Å; F111-V115 HydrophobicContact CD1-CG2 4.29Å; F111-V115 HydrophobicContact CD2-CG2 4.44Å; F111-V115 HydrophobicContact CE1-CG2 3.89Å; F111-V115 HydrophobicContact CE2-CG2 4.05Å; F111-V115 HydrophobicContact CZ-CG2 3.76Å; F111-V115 WeakPolarHBondContact O-CG2 3.38Å; F111-V115 PolarHBondContact O-N 3.31Å
112	G	93.6	Very high	90.8	Very high	36 Å²	36	37 Å²	37	37%	0.371	20%	0.204	S	C	.	.	H	α-helix	trans	-58.7	-41.8	177.5	0	0	0	0	0	112	S108 W116	S108-G112 PolarHBondContact O-N 3.48Å; G112-W116 PolarHBondContact O-N 2.99Å
113	S	92.8	Very high	90.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-46.1	175.3	-57.7	0	0	0	0	112.5	A109 F111 Q117 C132 I133	A109-S113 VanDerWaalsContact O-CB 3.31Å; A109-S113 WeakPolarHBondContact O-CB 3.39Å; A109-S113 PolarHBondContact O-N 3.35Å; A109-S113 VanDerWaalsContact O-N 3.16Å; A109-S113 PolarHBondContact O-OG 2.85Å; F111-S113 VanDerWaalsContact C-N 3.28Å; F111-S113 PolarHBondContact O-N 3.44Å; S113-Q117 VanDerWaalsContact O-CB 3.3Å; S113-Q117 WeakPolarHBondContact O-CB 3.26Å; S113-Q117 VanDerWaalsContact O-CG 3.25Å; S113-Q117 WeakPolarHBondContact O-CG 3.44Å; S113-Q117 PolarHBondContact O-N 3.45Å; S113-C132 PolarHBondContact OG-O 3.18Å; S113-I133 VanDerWaalsContact OG-CA 3.24Å; S113-I133 WeakPolarHBondContact OG-CA 3.36Å; S113-I133 WeakPolarHBondContact OG-CD1 3.49Å; S113-I133 PolarHBondContact OG-N 2.73Å
114	A	93.9	Very high	89.3	Confident	3 Å²	3	47.2 Å²	47.2	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-44.8	179.9	0	0	0	0	0	111.6	V34 L35 M110 F111 Q117 L118	V34-A114 HydrophobicContact CG1-CB 4.24Å; L35-A114 HydrophobicContact CB-CB 4.1Å; L35-A114 HydrophobicContact CD1-CB 4.34Å; M110-A114 VanDerWaalsContact O-CB 3.28Å; M110-A114 WeakPolarHBondContact O-CB 3.36Å; M110-A114 PolarHBondContact O-N 3.28Å; F111-A114 PolarHBondContact O-N 2.9Å; A114-Q117 PolarHBondContact O-N 2.88Å; A114-L118 WeakPolarHBondContact O-CB 3.38Å; A114-L118 WeakPolarHBondContact O-CG 3.43Å; A114-L118 PolarHBondContact O-N 2.96Å
115	V	92.1	Very high	88.2	Confident	68 Å²	68	49.8 Å²	49.8	41%	0.412	26%	0.26	S	S	.	.	H	α-helix	trans	-60.4	-50.7	177.8	171.7	0	0	0	0	110.8	F111 L118 V119	F111-V115 HydrophobicContact CD1-CG2 4.29Å; F111-V115 HydrophobicContact CD2-CG2 4.44Å; F111-V115 HydrophobicContact CE1-CG2 3.89Å; F111-V115 HydrophobicContact CE2-CG2 4.05Å; F111-V115 HydrophobicContact CZ-CG2 3.76Å; F111-V115 WeakPolarHBondContact O-CG2 3.38Å; F111-V115 PolarHBondContact O-N 3.31Å; V115-L118 PolarHBondContact O-N 3.01Å; V115-V119 VanDerWaalsContact O-CG2 3.31Å; V115-V119 WeakPolarHBondContact O-CG2 3.45Å; V115-V119 PolarHBondContact O-N 3.03Å
116	W	89.7	Confident	87.1	Confident	134 Å²	134	52.3 Å²	52.3	51%	0.508	28%	0.276	S	S	.	.	H	α-helix	trans	-63.1	-44.4	179.4	-175.6	-110.8	0	0	0	112.3	G112 L118 V119 A120	G112-W116 PolarHBondContact O-N 2.99Å; W116-L118 PolarHBondContact O-N 3.07Å; W116-V119 PolarHBondContact O-N 2.89Å; W116-A120 PolarHBondContact O-N 3.27Å
117	Q	87.6	Confident	86.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-40.2	178.9	-73.6	-179.1	24.2	0	0	113.2	S38 N42 S113 A114 A120 S121 I127 G129 C132	S38-Q117 WeakPolarHBondContact OG-CB 3.42Å; S38-Q117 PolarHBondContact OG-OE1 3.24Å; N42-Q117 PolarHBondContact ND2-O 3.16Å; S113-Q117 VanDerWaalsContact O-CB 3.3Å; S113-Q117 WeakPolarHBondContact O-CB 3.26Å; S113-Q117 VanDerWaalsContact O-CG 3.25Å; S113-Q117 WeakPolarHBondContact O-CG 3.44Å; S113-Q117 PolarHBondContact O-N 3.45Å; A114-Q117 PolarHBondContact O-N 2.88Å; Q117-A120 PolarHBondContact O-N 3.46Å; Q117-S121 PolarHBondContact O-N 2.92Å; Q117-S121 PolarHBondContact O-OG 3.48Å; Q117-I127 HydrophobicContact CG-CD1 4.04Å; Q117-G129 PolarHBondContact NE2-O 3.1Å; Q117-C132 HydrophobicContact CG-CB 4.38Å
118	L	88.6	Confident	85.8	Confident	42 Å²	42	52.2 Å²	52.2	22%	0.22	27%	0.274	C	S	.	.	H	α-helix	trans	-68.2	-36.1	176.4	-69.7	170.5	0	0	0	112.2	V34 F37 A114 V115 W116 S121 F122 W579	V34-L118 HydrophobicContact CG1-CD1 3.72Å; F37-L118 HydrophobicContact CD1-CD2 4.02Å; F37-L118 HydrophobicContact CE1-CD2 4.17Å; A114-L118 WeakPolarHBondContact O-CB 3.38Å; A114-L118 WeakPolarHBondContact O-CG 3.43Å; A114-L118 PolarHBondContact O-N 2.96Å; V115-L118 PolarHBondContact O-N 3.01Å; W116-L118 PolarHBondContact O-N 3.07Å; L118-S121 WeakPolarHBondContact O-CB 3.33Å; L118-S121 PolarHBondContact O-N 3.43Å; L118-F122 WeakPolarHBondContact O-CB 3.5Å; L118-F122 PolarHBondContact O-N 2.87Å; L118-W579 HydrophobicContact CB-CZ3 4.34Å; L118-W579 HydrophobicContact CD2-CE3 4.22Å; L118-W579 HydrophobicContact CD2-CZ3 3.73Å
119	V	86.4	Confident	85.4	Confident	68 Å²	68	48.8 Å²	48.8	41%	0.412	25%	0.25	S	S	.	.	H	α-helix	trans	-64.4	-44.1	173.1	169.4	0	0	0	0	110.3	V115 W116 S121 F122 L123	V115-V119 VanDerWaalsContact O-CG2 3.31Å; V115-V119 WeakPolarHBondContact O-CG2 3.45Å; V115-V119 PolarHBondContact O-N 3.03Å; W116-V119 PolarHBondContact O-N 2.89Å; V119-S121 PolarHBondContact O-N 3.47Å; V119-F122 PolarHBondContact O-N 3.25Å; V119-L123 HydrophobicContact CG1-CD1 3.96Å; V119-L123 HydrophobicContact CG1-CG 4.49Å; V119-L123 WeakPolarHBondContact O-CG 3.39Å; V119-L123 PolarHBondContact O-N 2.92Å
120	A	80.6	Confident	85.2	Confident	5 Å²	5	48.8 Å²	48.8	4%	0.041	25%	0.25	C	S	.	.	H	α-helix	trans	-61.3	-42	173.1	0	0	0	0	0	112.6	W116 Q117 F122 L123 K124 L125 I127	W116-A120 PolarHBondContact O-N 3.27Å; Q117-A120 PolarHBondContact O-N 3.46Å; A120-F122 VanDerWaalsContact C-N 3.3Å; A120-F122 PolarHBondContact O-N 2.94Å; A120-L123 CarbonylContact O-C 3.44Å; A120-L123 PolarHBondContact O-N 2.87Å; A120-K124 PolarHBondContact O-N 3.08Å; A120-L125 HydrophobicContact CB-CB 4.48Å; A120-L125 PolarHBondContact O-N 3.43Å; A120-I127 HydrophobicContact CB-CD1 3.52Å; A120-I127 HydrophobicContact CB-CG1 3.8Å; A120-I127 HydrophobicContact CB-CG2 3.91Å
121	S	79.6	Confident	84.9	Confident	9 Å²	9	49.1 Å²	49.1	6%	0.063	25%	0.252	C	S	.	.	H	α-helix	trans	-56	-44.9	172.9	-54.2	0	0	0	0	111.9	N42 Q117 L118 V119 K124	N42-S121 VanDerWaalsContact CG-OG 3.24Å; N42-S121 PolarHBondContact ND2-OG 3.3Å; N42-S121 WeakPolarHBondContact OD1-CA 3.42Å; N42-S121 VanDerWaalsContact OD1-CB 3.28Å; N42-S121 WeakPolarHBondContact OD1-CB 3.26Å; N42-S121 PolarHBondContact OD1-N 2.88Å; N42-S121 PolarHBondContact OD1-OG 2.89Å; Q117-S121 PolarHBondContact O-N 2.92Å; Q117-S121 PolarHBondContact O-OG 3.48Å; L118-S121 WeakPolarHBondContact O-CB 3.33Å; L118-S121 PolarHBondContact O-N 3.43Å; V119-S121 PolarHBondContact O-N 3.47Å; S121-K124 PolarHBondContact O-N 3.47Å
122	F	81.4	Confident	84.6	Confident	149 Å²	149	44.3 Å²	44.3	65%	0.654	23%	0.232	S	C	*	.	H	α-helix	trans	-67.9	-40.3	-178.6	-173.8	-94.9	0	0	0	112	L118 V119 A120 K124 W579	L118-F122 WeakPolarHBondContact O-CB 3.5Å; L118-F122 PolarHBondContact O-N 2.87Å; V119-F122 PolarHBondContact O-N 3.25Å; A120-F122 VanDerWaalsContact C-N 3.3Å; A120-F122 PolarHBondContact O-N 2.94Å; F122-K124 PolarHBondContact O-N 3.46Å; F122-W579 HydrophobicContact CB-CH2 4.35Å; F122-W579 HydrophobicContact CD2-CH2 4.37Å; F122-W579 HydrophobicContact CD2-CZ2 4.19Å
123	L	77.4	Confident	84.5	Confident	104 Å²	104	42.6 Å²	42.6	55%	0.545	22%	0.215	S	C	.	.	H	α-helix	trans	-75.7	-6.6	173.5	-63.3	175.5	0	0	0	113.5	V119 A120 L125	V119-L123 HydrophobicContact CG1-CD1 3.96Å; V119-L123 HydrophobicContact CG1-CG 4.49Å; V119-L123 WeakPolarHBondContact O-CG 3.39Å; V119-L123 PolarHBondContact O-N 2.92Å; A120-L123 CarbonylContact O-C 3.44Å; A120-L123 PolarHBondContact O-N 2.87Å; L123-L125 VanDerWaalsContact C-N 3.28Å; L123-L125 HydrophobicContact CB-CD1 4.01Å; L123-L125 HydrophobicContact CB-CG 3.9Å; L123-L125 HydrophobicContact CD1-CD1 4.17Å; L123-L125 PolarHBondContact O-N 3.21Å
124	K	73.6	Confident	84.5	Confident	116 Å²	116	42.5 Å²	42.5	50%	0.504	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	29.9	-175.4	-45.7	176.6	-169.6	171	0	114.2	A120 S121 F122	A120-K124 PolarHBondContact O-N 3.08Å; S121-K124 PolarHBondContact O-N 3.47Å; F122-K124 PolarHBondContact O-N 3.46Å
125	L	70.6	Confident	84.4	Confident	94 Å²	94	42.7 Å²	42.7	49%	0.492	22%	0.217	S	C	.	.			trans	-88.2	119.7	179.2	-61.3	177	0	0	0	109.6	A120 L123 I127	A120-L125 HydrophobicContact CB-CB 4.48Å; A120-L125 PolarHBondContact O-N 3.43Å; L123-L125 VanDerWaalsContact C-N 3.28Å; L123-L125 HydrophobicContact CB-CD1 4.01Å; L123-L125 HydrophobicContact CB-CG 3.9Å; L123-L125 HydrophobicContact CD1-CD1 4.17Å; L123-L125 PolarHBondContact O-N 3.21Å; L125-I127 HydrophobicContact CB-CG2 4.29Å; L125-I127 PolarHBondContact O-N 3.19Å
126	P	68.9	Low	84.4	Confident	59 Å²	59	40.6 Å²	40.6	38%	0.383	21%	0.206	S	C	.	.			trans	-73.6	110.3	173	30	-32.3	0	0	0	109.2	M587 T623	P126-M587 HydrophobicContact CB-CE 3.96Å; P126-M587 HydrophobicContact CB-SD 4.36Å; P126-M587 HydrophobicContact CG-CE 4.1Å; P126-M587 HydrophobicContact CG-SD 4.16Å; P126-T623 HydrophobicContact CB-CG2 4.22Å
127	I	77.3	Confident	84.5	Confident	16 Å²	16	34.5 Å²	34.5	8%	0.082	18%	0.184	C	C	.	.			trans	-113	-168.5	-178.7	61.4	159.3	0	0	0	110.9	Q117 A120 L125 T623	Q117-I127 HydrophobicContact CG-CD1 4.04Å; A120-I127 HydrophobicContact CB-CD1 3.52Å; A120-I127 HydrophobicContact CB-CG1 3.8Å; A120-I127 HydrophobicContact CB-CG2 3.91Å; L125-I127 HydrophobicContact CB-CG2 4.29Å; L125-I127 PolarHBondContact O-N 3.19Å; I127-T623 VanDerWaalsContact O-CB 3.31Å; I127-T623 WeakPolarHBondContact O-CB 3.22Å; I127-T623 PolarHBondContact O-OG1 2.85Å
128	S	86.1	Confident	84.7	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.014	19%	0.19	C	C	.	.			trans	-115.9	100.8	175.4	175.6	0	0	0	0	110	T130 H131 C132 S621	S128-T130 PolarHBondContact O-N 3.13Å; S128-T130 VanDerWaalsContact O-N 3.12Å; S128-H131 PolarHBondContact O-N 3.09Å; S128-H131 PolarHBondContact OG-CD2 3.16Å; S128-H131 VanDerWaalsContact OG-CG 3.27Å; S128-H131 PolarHBondContact OG-N 3.31Å; S128-H131 PolarHBondContact OG-NE2 3.41Å; S128-C132 PolarHBondContact O-N 3.12Å; S128-C132 PolarHBondContact O-SG 2.91Å; S128-S621 WeakPolarHBondContact CB-OG 3.24Å; S128-S621 VanDerWaalsContact OG-CB 3.22Å; S128-S621 WeakPolarHBondContact OG-CB 3.25Å; S128-S621 PolarHBondContact OG-OG 3.3Å
129	G	86.8	Confident	84.8	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-55.2	-32	178.1	0	0	0	0	0	113.2	Q117 C132 I133	Q117-G129 PolarHBondContact NE2-O 3.1Å; G129-C132 WeakPolarHBondContact O-CB 3.46Å; G129-C132 PolarHBondContact O-N 2.93Å; G129-I133 PolarHBondContact O-N 3.32Å
130	T	90.2	Very high	85.1	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-65.2	-39.5	175.6	-45.8	0	0	0	0	113.3	S128 C132 I133 V134 D534 N537 P619 I620	S128-T130 PolarHBondContact O-N 3.13Å; S128-T130 VanDerWaalsContact O-N 3.12Å; T130-C132 VanDerWaalsContact C-N 3.34Å; T130-I133 WeakPolarHBondContact O-CG2 3.36Å; T130-V134 WeakPolarHBondContact O-CB 3.15Å; T130-V134 VanDerWaalsContact O-CG2 3.28Å; T130-V134 WeakPolarHBondContact O-CG2 3.45Å; T130-V134 PolarHBondContact O-N 3.46Å; T130-V134 VanDerWaalsContact O-N 3.15Å; T130-D534 PolarHBondContact OG1-OD1 3.43Å; T130-N537 WeakPolarHBondContact CA-OD1 3.31Å; T130-N537 PolarHBondContact N-ND2 3.02Å; T130-N537 PolarHBondContact OG1-ND2 3.05Å; T130-P619 HydrophobicContact CG2-CB 3.65Å; T130-I620 WeakPolarHBondContact CB-O 3.4Å; T130-I620 WeakPolarHBondContact CG2-O 3.5Å; T130-I620 PolarHBondContact OG1-O 3.42Å
131	H	88.9	Confident	85.6	Confident	8 Å²	8	32.9 Å²	32.9	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-69.1	-37.4	177.4	-68	-162.7	0	0	0	110.7	S128 I133 G135 W162 H624	S128-H131 PolarHBondContact O-N 3.09Å; S128-H131 PolarHBondContact OG-CD2 3.16Å; S128-H131 VanDerWaalsContact OG-CG 3.27Å; S128-H131 PolarHBondContact OG-N 3.31Å; S128-H131 PolarHBondContact OG-NE2 3.41Å; H131-I133 PolarHBondContact O-N 3.35Å; H131-G135 PolarHBondContact O-N 2.75Å; H131-W162 HydrophobicContact CB-CH2 4.32Å; H131-W162 AromaticContact CD2-CD2 3.51Å; H131-W162 AromaticContact CD2-CE2 3.46Å; H131-W162 VanDerWaalsContact CD2-CE2 3.46Å; H131-W162 AromaticContact CD2-CE3 3.78Å; H131-W162 AromaticContact CD2-CH2 3.92Å; H131-W162 AromaticContact CD2-CZ2 3.67Å; H131-W162 AromaticContact CD2-CZ3 3.98Å; H131-W162 AromaticContact CD2-NE1 3.96Å; H131-W162 AromaticContact CE1-CD2 3.71Å; H131-W162 AromaticContact CE1-CE3 3.57Å; H131-W162 AromaticContact CE1-CG 3.98Å; H131-W162 AromaticContact CG-CZ3 3.96Å; H131-W162 AromaticContact ND1-CE3 3.93Å; H131-W162 AromaticContact NE2-CD1 3.8Å; H131-W162 AromaticContact NE2-CD2 3.21Å; H131-W162 AromaticContact NE2-CE2 3.63Å; H131-W162 AromaticContact NE2-CE3 3.56Å; H131-W162 AromaticContact NE2-CG 3.33Å; H131-W162 VanDerWaalsContact NE2-CG 3.33Å; H131-W162 AromaticContact NE2-NE1 3.96Å; H131-H624 AromaticContact CE1-CE1 3.23Å; H131-H624 PolarHBondContact CE1-CE1 3.38Å; H131-H624 AromaticContact CE1-ND1 3.74Å; H131-H624 AromaticContact ND1-CE1 3.86Å; H131-H624 AromaticContact NE2-CE1 3.77Å
132	C	90.1	Very high	86.1	Confident	14 Å²	14	34.7 Å²	34.7	10%	0.095	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-50.4	178.7	-48.5	0	0	0	0	111.6	S113 Q117 S128 G129 T130 G135 A136	S113-C132 PolarHBondContact OG-O 3.18Å; Q117-C132 HydrophobicContact CG-CB 4.38Å; S128-C132 PolarHBondContact O-N 3.12Å; S128-C132 PolarHBondContact O-SG 2.91Å; G129-C132 WeakPolarHBondContact O-CB 3.46Å; G129-C132 PolarHBondContact O-N 2.93Å; T130-C132 VanDerWaalsContact C-N 3.34Å; C132-G135 PolarHBondContact O-N 3.21Å; C132-A136 VanDerWaalsContact O-CB 3.31Å; C132-A136 WeakPolarHBondContact O-CB 3.46Å; C132-A136 PolarHBondContact O-N 3.04Å
133	I	92.9	Very high	86.7	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-74.2	-36.5	-176.8	-170.3	62.2	0	0	0	112.9	L35 I85 A109 S113 G129 T130 H131 G135 A136 T137 N537 P541	L35-I133 HydrophobicContact CD2-CD1 4.38Å; I85-I133 HydrophobicContact CD1-CG2 4.24Å; I85-I133 HydrophobicContact CG2-CG1 4.45Å; A109-I133 HydrophobicContact CB-CD1 3.96Å; A109-I133 WeakPolarHBondContact O-CD1 3.32Å; S113-I133 VanDerWaalsContact OG-CA 3.24Å; S113-I133 WeakPolarHBondContact OG-CA 3.36Å; S113-I133 WeakPolarHBondContact OG-CD1 3.49Å; S113-I133 PolarHBondContact OG-N 2.73Å; G129-I133 PolarHBondContact O-N 3.32Å; T130-I133 WeakPolarHBondContact O-CG2 3.36Å; H131-I133 PolarHBondContact O-N 3.35Å; I133-G135 VanDerWaalsContact C-N 3.35Å; I133-A136 PolarHBondContact O-N 3.16Å; I133-T137 WeakPolarHBondContact O-CB 3.29Å; I133-T137 PolarHBondContact O-N 3.21Å; I133-T137 PolarHBondContact O-OG1 2.75Å; I133-N537 WeakPolarHBondContact CG1-O 3.2Å; I133-N537 HydrophobicContact CG2-CB 3.87Å; I133-N537 WeakPolarHBondContact CG2-OD1 3.5Å; I133-P541 HydrophobicContact CD1-CG 3.76Å; I133-P541 HydrophobicContact CG1-CG 3.89Å
134	V	92.1	Very high	87.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-48.1	174	169.4	0	0	0	0	109.3	L89 T130 T137 I138 L155 W162	L89-V134 HydrophobicContact CD1-CB 4.45Å; L89-V134 HydrophobicContact CD1-CG1 4.49Å; L89-V134 HydrophobicContact CD1-CG2 4.03Å; L89-V134 HydrophobicContact CD2-CG1 3.88Å; L89-V134 HydrophobicContact CD2-CG2 4.2Å; T130-V134 WeakPolarHBondContact O-CB 3.15Å; T130-V134 VanDerWaalsContact O-CG2 3.28Å; T130-V134 WeakPolarHBondContact O-CG2 3.45Å; T130-V134 PolarHBondContact O-N 3.46Å; T130-V134 VanDerWaalsContact O-N 3.15Å; V134-T137 PolarHBondContact O-N 2.81Å; V134-I138 HydrophobicContact CG1-CD1 3.67Å; V134-I138 VanDerWaalsContact O-CD1 3.24Å; V134-I138 WeakPolarHBondContact O-CD1 3.37Å; V134-I138 WeakPolarHBondContact O-CG1 3.36Å; V134-I138 PolarHBondContact O-N 3.25Å; V134-L155 HydrophobicContact CG1-CD1 4.18Å; V134-W162 HydrophobicContact CB-CH2 3.97Å; V134-W162 HydrophobicContact CB-CZ2 3.87Å; V134-W162 HydrophobicContact CG1-CH2 3.67Å; V134-W162 HydrophobicContact CG1-CZ2 3.77Å; V134-W162 HydrophobicContact CG2-CZ2 4.03Å
135	G	90.7	Very high	88.1	Confident	7 Å²	7	27.8 Å²	27.8	7%	0.072	17%	0.17	C	C	.	.	H	α-helix	trans	-56.6	-51.8	174.5	0	0	0	0	0	114	H131 C132 I133 T137 I138 G139	H131-G135 PolarHBondContact O-N 2.75Å; C132-G135 PolarHBondContact O-N 3.21Å; I133-G135 VanDerWaalsContact C-N 3.35Å; G135-T137 VanDerWaalsContact C-N 3.28Å; G135-T137 PolarHBondContact O-N 2.54Å; G135-I138 PolarHBondContact O-N 3.05Å; G135-G139 PolarHBondContact O-N 3.46Å
136	A	92.6	Very high	89	Confident	24 Å²	24	24.8 Å²	24.8	20%	0.198	16%	0.161	C	C	.	.	H	α-helix	trans	-65.7	-31	180	0	0	0	0	0	112.8	A109 C132 I133 F140	A109-A136 HydrophobicContact CB-CB 4.24Å; A109-A136 WeakPolarHBondContact O-CB 3.49Å; C132-A136 VanDerWaalsContact O-CB 3.31Å; C132-A136 WeakPolarHBondContact O-CB 3.46Å; C132-A136 PolarHBondContact O-N 3.04Å; I133-A136 PolarHBondContact O-N 3.16Å; A136-F140 PolarHBondContact O-N 2.9Å
137	T	91.9	Very high	90	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-69.6	-42.7	174.4	-58.8	0	0	0	0	111.8	L89 I90 I133 V134 G135 F140 S141	L89-T137 HydrophobicContact CB-CG2 4.05Å; L89-T137 HydrophobicContact CD1-CG2 3.76Å; I90-T137 HydrophobicContact CD1-CG2 4.46Å; I90-T137 HydrophobicContact CG2-CG2 3.85Å; I133-T137 WeakPolarHBondContact O-CB 3.29Å; I133-T137 PolarHBondContact O-N 3.21Å; I133-T137 PolarHBondContact O-OG1 2.75Å; V134-T137 PolarHBondContact O-N 2.81Å; G135-T137 VanDerWaalsContact C-N 3.28Å; G135-T137 PolarHBondContact O-N 2.54Å; T137-F140 HydrophobicContact CG2-CE1 3.93Å; T137-F140 VanDerWaalsContact O-CD1 3.26Å; T137-F140 WeakPolarHBondContact O-CD1 3.48Å; T137-S141 PolarHBondContact O-N 2.69Å
138	I	92.2	Very high	90.5	Very high	26 Å²	26	34.7 Å²	34.7	13%	0.133	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-48.3	174.4	-63.9	153.7	0	0	0	109.9	V134 G135 F140 S141 L142 V150 L155	V134-I138 HydrophobicContact CG1-CD1 3.67Å; V134-I138 VanDerWaalsContact O-CD1 3.24Å; V134-I138 WeakPolarHBondContact O-CD1 3.37Å; V134-I138 WeakPolarHBondContact O-CG1 3.36Å; V134-I138 PolarHBondContact O-N 3.25Å; G135-I138 PolarHBondContact O-N 3.05Å; I138-F140 PolarHBondContact O-N 2.87Å; I138-S141 PolarHBondContact O-N 3.02Å; I138-L142 HydrophobicContact CG2-CD1 3.8Å; I138-L142 HydrophobicContact CG2-CG 4.08Å; I138-L142 WeakPolarHBondContact O-CG 3.42Å; I138-L142 PolarHBondContact O-N 3.22Å; I138-V150 HydrophobicContact CG2-CG1 4.45Å; I138-V150 HydrophobicContact CG2-CG2 4.13Å; I138-L155 HydrophobicContact CD1-CD1 3.48Å; I138-L155 VanDerWaalsContact CD1-CD1 3.48Å; I138-L155 HydrophobicContact CD1-CD2 3.77Å; I138-L155 HydrophobicContact CD1-CG 4.28Å; I138-L155 HydrophobicContact CG1-CD1 4.39Å; I138-L155 HydrophobicContact CG1-CD2 4.19Å
139	G	91.1	Very high	90.5	Very high	33 Å²	33	34.6 Å²	34.6	34%	0.34	20%	0.202	S	C	.	.	H	α-helix	trans	-55.9	-45.3	-177.6	0	0	0	0	0	113.3	G135 V143	G135-G139 PolarHBondContact O-N 3.46Å; G139-V143 WeakPolarHBondContact O-CG2 3.32Å; G139-V143 PolarHBondContact O-N 3.13Å
140	F	91.3	Very high	90.7	Very high	23 Å²	23	34.9 Å²	34.9	10%	0.101	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-36.5	175.3	91.8	-108.2	0	0	0	112.2	I90 L102 G105 A109 A136 T137 I138 V143 A144	I90-F140 HydrophobicContact CD1-CE2 4.47Å; I90-F140 HydrophobicContact CD1-CZ 3.74Å; L102-F140 HydrophobicContact CD1-CE2 4.18Å; L102-F140 HydrophobicContact CD1-CZ 3.95Å; G105-F140 VanDerWaalsContact O-CD1 3.31Å; G105-F140 WeakPolarHBondContact O-CD1 3.34Å; A109-F140 HydrophobicContact CB-CD1 3.94Å; A109-F140 HydrophobicContact CB-CE1 4.16Å; A136-F140 PolarHBondContact O-N 2.9Å; T137-F140 HydrophobicContact CG2-CE1 3.93Å; T137-F140 VanDerWaalsContact O-CD1 3.26Å; T137-F140 WeakPolarHBondContact O-CD1 3.48Å; I138-F140 PolarHBondContact O-N 2.87Å; F140-V143 PolarHBondContact O-N 2.96Å; F140-A144 WeakPolarHBondContact O-CB 3.33Å; F140-A144 PolarHBondContact O-N 2.91Å
141	S	91	Very high	90.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-70.7	-37.2	-177.4	-151.6	0	0	0	0	111.8	Y95 T137 I138 A144 K145 G146 G149	Y95-S141 PolarHBondContact OH-OG 3.13Å; T137-S141 PolarHBondContact O-N 2.69Å; I138-S141 PolarHBondContact O-N 3.02Å; S141-A144 PolarHBondContact O-N 3.25Å; S141-K145 PolarHBondContact O-N 3.05Å; S141-G146 PolarHBondContact O-N 2.79Å; S141-G149 PolarHBondContact OG-O 3.13Å
142	L	91.8	Very high	90.7	Very high	47 Å²	47	42.3 Å²	42.3	25%	0.246	23%	0.232	C	C	.	.	H	α-helix	trans	-60.2	-44.8	170.2	-68	176.6	0	0	0	111.5	I138 G146 Q147 V150 W152	I138-L142 HydrophobicContact CG2-CD1 3.8Å; I138-L142 HydrophobicContact CG2-CG 4.08Å; I138-L142 WeakPolarHBondContact O-CG 3.42Å; I138-L142 PolarHBondContact O-N 3.22Å; L142-G146 WeakPolarHBondContact O-CA 3.49Å; L142-G146 PolarHBondContact O-N 3.27Å; L142-Q147 HydrophobicContact CD2-CG 4.29Å; L142-V150 HydrophobicContact CD2-CG2 3.76Å; L142-V150 HydrophobicContact CG-CG2 4.03Å; L142-W152 HydrophobicContact CD2-CH2 4.46Å; L142-W152 HydrophobicContact CD2-CZ2 4.03Å
143	V	93.1	Very high	90.7	Very high	135 Å²	135	45.2 Å²	45.2	82%	0.818	25%	0.253	S	S	*	.	H	α-helix	trans	-68.2	-34.3	176.6	172.5	0	0	0	0	112.5	G139 F140	G139-V143 WeakPolarHBondContact O-CG2 3.32Å; G139-V143 PolarHBondContact O-N 3.13Å; F140-V143 PolarHBondContact O-N 2.96Å
144	A	90.8	Very high	90.5	Very high	31 Å²	31	48.5 Å²	48.5	26%	0.256	27%	0.269	S	S	.	.	H	α-helix	trans	-88.6	-27	-173.6	0	0	0	0	0	114.8	Y95 L101 F140 S141	Y95-A144 HydrophobicContact CE1-CB 4.18Å; L101-A144 HydrophobicContact CD1-CB 4.49Å; L101-A144 HydrophobicContact CD2-CB 4.12Å; L101-A144 HydrophobicContact CG-CB 4.3Å; F140-A144 WeakPolarHBondContact O-CB 3.33Å; F140-A144 PolarHBondContact O-N 2.91Å; S141-A144 PolarHBondContact O-N 3.25Å
145	K	90.7	Very high	90.3	Very high	57 Å²	57	49.2 Å²	49.2	25%	0.248	27%	0.272	C	S	.	.	H	α-helix	trans	-145.1	3.2	-172.9	-60.8	-70.4	172.9	163.5	0	114.2	M94 Y95 T98 S141	M94-K145 HydrophobicContact CE-CB 3.76Å; M94-K145 HydrophobicContact CE-CD 4.33Å; M94-K145 HydrophobicContact CE-CG 4.08Å; M94-K145 PolarHBondContact O-NZ 2.89Å; Y95-K145 HydrophobicContact CE1-CD 4.4Å; Y95-K145 HydrophobicContact CE1-CG 3.87Å; Y95-K145 HydrophobicContact CE2-CG 3.87Å; Y95-K145 VanDerWaalsContact CZ-CG 3.45Å; Y95-K145 WeakPolarHBondContact OH-CG 3.48Å; T98-K145 PolarHBondContact OG1-NZ 3.04Å; S141-K145 PolarHBondContact O-N 3.05Å
146	G	89.4	Confident	90.2	Very high	31 Å²	31	53.9 Å²	53.9	32%	0.32	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	67.7	-162.9	-174.8	0	0	0	0	0	113.2	S141 L142 E148 G149	S141-G146 PolarHBondContact O-N 2.79Å; L142-G146 WeakPolarHBondContact O-CA 3.49Å; L142-G146 PolarHBondContact O-N 3.27Å; G146-E148 PolarHBondContact O-N 2.7Å; G146-G149 PolarHBondContact O-N 2.76Å
147	Q	88.9	Confident	90	Very high	124 Å²	124	58 Å²	58	58%	0.579	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-62.8	-24.4	-177	-65.5	-174.5	-10.9	0	0	113.6	L142 G149 V150 W152	L142-Q147 HydrophobicContact CD2-CG 4.29Å; Q147-G149 PolarHBondContact O-N 3Å; Q147-V150 PolarHBondContact O-N 3.44Å; Q147-W152 HydrophobicContact CB-CZ2 4.21Å; Q147-W152 HydrophobicContact CG-CZ2 4.17Å; Q147-W152 PolarHBondContact O-NE1 3.43Å
148	E	87.1	Confident	89.9	Confident	159 Å²	159	57.9 Å²	57.9	74%	0.743	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-67	-22.3	174.7	-60.7	-176.1	166.5	0	0	112.3	M94 G146 V150	M94-E148 VanDerWaalsContact CE-C 3.45Å; M94-E148 HydrophobicContact CE-CB 3.96Å; M94-E148 WeakPolarHBondContact CE-O 3.45Å; M94-E148 HydrophobicContact SD-CB 4.28Å; G146-E148 PolarHBondContact O-N 2.7Å; E148-V150 PolarHBondContact O-N 3.41Å
149	G	86.6	Confident	89.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-69	-8.1	177.2	0	0	0	0	0	115.8	I90 D91 S141 G146 Q147	I90-G149 VanDerWaalsContact CA-O 3.31Å; I90-G149 WeakPolarHBondContact CA-O 3.46Å; I90-G149 WeakPolarHBondContact CB-O 3.35Å; D91-G149 PolarHBondContact N-O 3Å; D91-G149 VanDerWaalsContact N-O 3.12Å; S141-G149 PolarHBondContact OG-O 3.13Å; G146-G149 PolarHBondContact O-N 2.76Å; Q147-G149 PolarHBondContact O-N 3Å
150	V	91.4	Very high	89.4	Confident	7 Å²	7	62.5 Å²	62.5	4%	0.042	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-121.4	131.4	-168.2	179	0	0	0	0	110.7	I138 L142 Q147 E148 W152 L155	I138-V150 HydrophobicContact CG2-CG1 4.45Å; I138-V150 HydrophobicContact CG2-CG2 4.13Å; L142-V150 HydrophobicContact CD2-CG2 3.76Å; L142-V150 HydrophobicContact CG-CG2 4.03Å; Q147-V150 PolarHBondContact O-N 3.44Å; E148-V150 PolarHBondContact O-N 3.41Å; V150-W152 VanDerWaalsContact C-N 3.28Å; V150-W152 HydrophobicContact CB-CD2 4.44Å; V150-W152 HydrophobicContact CB-CZ2 4.13Å; V150-W152 HydrophobicContact CG1-CD2 4.04Å; V150-W152 HydrophobicContact CG1-CE3 4.38Å; V150-W152 HydrophobicContact CG1-CG 4.42Å; V150-W152 HydrophobicContact CG1-CZ2 4.24Å; V150-W152 PolarHBondContact O-N 2.82Å; V150-W152 PolarHBondContact O-NE1 2.97Å; V150-L155 HydrophobicContact CG1-CD2 3.81Å
151	K	90.7	Very high	89.3	Confident	56 Å²	56	62 Å²	62	24%	0.243	32%	0.323	C	S	.	.			trans	-83.5	72.9	177.2	-76.9	174.2	175.2	142.9	0	110.4	K87 G88 L89 I90 D91 S153 E154 L155	K87-K151 PolarHBondContact O-NZ 2.99Å; G88-K151 WeakPolarHBondContact O-CB 3.23Å; L89-K151 PolarHBondContact O-N 3.38Å; I90-K151 WeakPolarHBondContact O-CD 3.33Å; I90-K151 WeakPolarHBondContact O-CE 3.43Å; I90-K151 PolarHBondContact O-NZ 3.2Å; D91-K151 HydrophobicContact CB-CG 4.47Å; D91-K151 VanDerWaalsContact OD1-CE 3.27Å; D91-K151 WeakPolarHBondContact OD1-CE 3.38Å; D91-K151 IonicContact OD1-NZ 3.73Å; D91-K151 PolarHBondContact OD1-NZ 3.45Å; K151-S153 PolarHBondContact O-N 3.33Å; K151-E154 HydrophobicContact CB-CB 4.33Å; K151-E154 HydrophobicContact CB-CG 4.32Å; K151-E154 PolarHBondContact O-N 3.02Å; K151-L155 PolarHBondContact O-N 3.33Å
152	W	88.6	Confident	89.1	Confident	109 Å²	109	62.8 Å²	62.8	41%	0.413	33%	0.326	S	S	.	.	H	α-helix	trans	-48.7	-37.2	-175.9	-63.4	98.7	0	0	0	114.2	L142 Q147 V150 E154 L155 I156	L142-W152 HydrophobicContact CD2-CH2 4.46Å; L142-W152 HydrophobicContact CD2-CZ2 4.03Å; Q147-W152 HydrophobicContact CB-CZ2 4.21Å; Q147-W152 HydrophobicContact CG-CZ2 4.17Å; Q147-W152 PolarHBondContact O-NE1 3.43Å; V150-W152 VanDerWaalsContact C-N 3.28Å; V150-W152 HydrophobicContact CB-CD2 4.44Å; V150-W152 HydrophobicContact CB-CZ2 4.13Å; V150-W152 HydrophobicContact CG1-CD2 4.04Å; V150-W152 HydrophobicContact CG1-CE3 4.38Å; V150-W152 HydrophobicContact CG1-CG 4.42Å; V150-W152 HydrophobicContact CG1-CZ2 4.24Å; V150-W152 PolarHBondContact O-N 2.82Å; V150-W152 PolarHBondContact O-NE1 2.97Å; W152-E154 PolarHBondContact O-N 2.91Å; W152-L155 HydrophobicContact CE3-CD2 4Å; W152-L155 HydrophobicContact CZ3-CD2 4.06Å; W152-L155 PolarHBondContact O-N 2.61Å; W152-I156 WeakPolarHBondContact O-CB 3.33Å; W152-I156 WeakPolarHBondContact O-CD1 3.37Å; W152-I156 WeakPolarHBondContact O-CG1 3.27Å; W152-I156 PolarHBondContact O-N 3.47Å
153	S	89.2	Confident	88.8	Confident	76 Å²	76	65 Å²	65	53%	0.531	33%	0.333	S	S	.	.	H	α-helix	trans	-64.3	-36.1	176.6	56.9	0	0	0	0	114	K151 K157	K151-S153 PolarHBondContact O-N 3.33Å; S153-K157 WeakPolarHBondContact O-CE 3.2Å; S153-K157 WeakPolarHBondContact O-CG 3.42Å
154	E	88.6	Confident	88.6	Confident	69 Å²	69	62.2 Å²	62.2	32%	0.322	32%	0.317	S	S	.	.	H	α-helix	trans	-83.4	-37.9	176.6	-56.5	-47.5	125.9	0	0	110.9	G88 K151 W152 I156 K157 I158	G88-E154 WeakPolarHBondContact O-CB 3.23Å; K151-E154 HydrophobicContact CB-CB 4.33Å; K151-E154 HydrophobicContact CB-CG 4.32Å; K151-E154 PolarHBondContact O-N 3.02Å; W152-E154 PolarHBondContact O-N 2.91Å; E154-I156 VanDerWaalsContact C-N 3.34Å; E154-I156 PolarHBondContact O-N 3.34Å; E154-K157 WeakPolarHBondContact O-CB 3.4Å; E154-K157 PolarHBondContact O-N 2.85Å; E154-K157 VanDerWaalsContact O-N 3.14Å; E154-K157 WeakPolarHBondContact OE1-CE 3.4Å; E154-K157 IonicContact OE1-NZ 2.65Å; E154-K157 PolarHBondContact OE1-NZ 2.8Å; E154-K157 WeakPolarHBondContact OE2-CD 3.17Å; E154-K157 WeakPolarHBondContact OE2-CE 3.11Å; E154-K157 IonicContact OE2-NZ 2.69Å; E154-K157 PolarHBondContact OE2-NZ 3.4Å; E154-I158 WeakPolarHBondContact O-CG1 3.43Å; E154-I158 PolarHBondContact O-N 2.6Å
155	L	88.9	Confident	88.6	Confident	14 Å²	14	61.1 Å²	61.1	7%	0.073	31%	0.307	C	S	.	.	H	α-helix	trans	-56.7	-46.3	173.3	177.5	54.2	0	0	0	111.6	V134 I138 V150 K151 W152 K157 I158 V159	V134-L155 HydrophobicContact CG1-CD1 4.18Å; I138-L155 HydrophobicContact CD1-CD1 3.48Å; I138-L155 VanDerWaalsContact CD1-CD1 3.48Å; I138-L155 HydrophobicContact CD1-CD2 3.77Å; I138-L155 HydrophobicContact CD1-CG 4.28Å; I138-L155 HydrophobicContact CG1-CD1 4.39Å; I138-L155 HydrophobicContact CG1-CD2 4.19Å; V150-L155 HydrophobicContact CG1-CD2 3.81Å; K151-L155 PolarHBondContact O-N 3.33Å; W152-L155 HydrophobicContact CE3-CD2 4Å; W152-L155 HydrophobicContact CZ3-CD2 4.06Å; W152-L155 PolarHBondContact O-N 2.61Å; L155-K157 VanDerWaalsContact C-N 3.31Å; L155-K157 PolarHBondContact O-N 3.27Å; L155-I158 PolarHBondContact O-N 2.99Å; L155-I158 VanDerWaalsContact O-N 3.11Å; L155-V159 HydrophobicContact CD1-CG2 3.93Å; L155-V159 HydrophobicContact CG-CG2 4.39Å; L155-V159 WeakPolarHBondContact O-CG2 3.47Å; L155-V159 PolarHBondContact O-N 2.94Å
156	I	89	Confident	88.6	Confident	105 Å²	105	59.1 Å²	59.1	54%	0.538	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-38.9	177.3	-71.9	165.1	0	0	0	111.2	W152 E154 I158 M160	W152-I156 WeakPolarHBondContact O-CB 3.33Å; W152-I156 WeakPolarHBondContact O-CD1 3.37Å; W152-I156 WeakPolarHBondContact O-CG1 3.27Å; W152-I156 PolarHBondContact O-N 3.47Å; E154-I156 VanDerWaalsContact C-N 3.34Å; E154-I156 PolarHBondContact O-N 3.34Å; I156-I158 VanDerWaalsContact C-N 3.34Å; I156-I158 PolarHBondContact O-N 2.93Å; I156-M160 HydrophobicContact CG2-CG 4.32Å; I156-M160 VanDerWaalsContact O-CB 3.29Å; I156-M160 WeakPolarHBondContact O-CB 3.41Å; I156-M160 WeakPolarHBondContact O-CG 3.33Å; I156-M160 PolarHBondContact O-N 2.97Å
157	K	88	Confident	88.6	Confident	111 Å²	111	63.1 Å²	63.1	48%	0.483	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-41.1	174.4	-63.9	172.2	-152.5	168.9	0	111.7	S153 E154 L155 S161	S153-K157 WeakPolarHBondContact O-CE 3.2Å; S153-K157 WeakPolarHBondContact O-CG 3.42Å; E154-K157 WeakPolarHBondContact O-CB 3.4Å; E154-K157 PolarHBondContact O-N 2.85Å; E154-K157 VanDerWaalsContact O-N 3.14Å; E154-K157 WeakPolarHBondContact OE1-CE 3.4Å; E154-K157 IonicContact OE1-NZ 2.65Å; E154-K157 PolarHBondContact OE1-NZ 2.8Å; E154-K157 WeakPolarHBondContact OE2-CD 3.17Å; E154-K157 WeakPolarHBondContact OE2-CE 3.11Å; E154-K157 IonicContact OE2-NZ 2.69Å; E154-K157 PolarHBondContact OE2-NZ 3.4Å; L155-K157 VanDerWaalsContact C-N 3.31Å; L155-K157 PolarHBondContact O-N 3.27Å; K157-S161 WeakPolarHBondContact O-CB 3.39Å; K157-S161 PolarHBondContact O-N 2.86Å
158	I	89.1	Confident	88.7	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.015	30%	0.303	C	S	.	.	H	α-helix	trans	-66.1	-50.1	178.7	-68.9	168.3	0	0	0	110.3	T84 L89 E154 L155 I156 M160 S161 W162 P619	T84-I158 HydrophobicContact CG2-CD1 4.14Å; L89-I158 HydrophobicContact CD2-CD1 3.56Å; E154-I158 WeakPolarHBondContact O-CG1 3.43Å; E154-I158 PolarHBondContact O-N 2.6Å; L155-I158 PolarHBondContact O-N 2.99Å; L155-I158 VanDerWaalsContact O-N 3.11Å; I156-I158 VanDerWaalsContact C-N 3.34Å; I156-I158 PolarHBondContact O-N 2.93Å; I158-M160 VanDerWaalsContact C-N 3.35Å; I158-M160 PolarHBondContact O-N 3.1Å; I158-S161 WeakPolarHBondContact O-CA 3.23Å; I158-S161 WeakPolarHBondContact O-CB 3.35Å; I158-S161 PolarHBondContact O-N 3.35Å; I158-S161 PolarHBondContact O-OG 3.26Å; I158-W162 HydrophobicContact CG2-CZ2 3.65Å; I158-W162 PolarHBondContact O-N 3.5Å; I158-P619 HydrophobicContact CD1-CG 3.99Å; I158-P619 HydrophobicContact CG1-CG 4.18Å; I158-P619 HydrophobicContact CG2-CG 4.09Å
159	V	87.6	Confident	89.1	Confident	47 Å²	47	52.8 Å²	52.8	29%	0.285	27%	0.267	S	S	.	.	H	α-helix	trans	-59.3	-43.8	176.2	173.7	0	0	0	0	111.4	L155 S161 W162 F163	L155-V159 HydrophobicContact CD1-CG2 3.93Å; L155-V159 HydrophobicContact CG-CG2 4.39Å; L155-V159 WeakPolarHBondContact O-CG2 3.47Å; L155-V159 PolarHBondContact O-N 2.94Å; V159-S161 VanDerWaalsContact C-N 3.29Å; V159-S161 PolarHBondContact O-N 3.34Å; V159-W162 HydrophobicContact CB-CE3 4.49Å; V159-W162 HydrophobicContact CG2-CE3 4.2Å; V159-W162 HydrophobicContact CG2-CZ3 4.03Å; V159-W162 WeakPolarHBondContact O-CB 3.43Å; V159-W162 PolarHBondContact O-N 2.75Å; V159-W162 VanDerWaalsContact O-N 3.11Å; V159-F163 HydrophobicContact CG1-CD2 4.45Å; V159-F163 HydrophobicContact CG1-CE2 3.97Å; V159-F163 VanDerWaalsContact O-CD2 3.31Å; V159-F163 WeakPolarHBondContact O-CD2 3.33Å
160	M	86.4	Confident	89.3	Confident	108 Å²	108	53.2 Å²	53.2	53%	0.532	27%	0.272	S	S	.	.	H	α-helix	trans	-60.9	-37.5	174	-73.9	-62.9	-64.7	0	0	112.2	I156 I158 W162 F163 V164	I156-M160 HydrophobicContact CG2-CG 4.32Å; I156-M160 VanDerWaalsContact O-CB 3.29Å; I156-M160 WeakPolarHBondContact O-CB 3.41Å; I156-M160 WeakPolarHBondContact O-CG 3.33Å; I156-M160 PolarHBondContact O-N 2.97Å; I158-M160 VanDerWaalsContact C-N 3.35Å; I158-M160 PolarHBondContact O-N 3.1Å; M160-W162 PolarHBondContact O-N 3.48Å; M160-F163 PolarHBondContact O-N 2.72Å; M160-V164 WeakPolarHBondContact O-CG2 3.4Å; M160-V164 PolarHBondContact O-N 3.49Å
161	S	87.8	Confident	89.4	Confident	13 Å²	13	56.8 Å²	56.8	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-29.3	176.1	82.4	0	0	0	0	112.9	K157 I158 V159 F163 V164 S165	K157-S161 WeakPolarHBondContact O-CB 3.39Å; K157-S161 PolarHBondContact O-N 2.86Å; I158-S161 WeakPolarHBondContact O-CA 3.23Å; I158-S161 WeakPolarHBondContact O-CB 3.35Å; I158-S161 PolarHBondContact O-N 3.35Å; I158-S161 PolarHBondContact O-OG 3.26Å; V159-S161 VanDerWaalsContact C-N 3.29Å; V159-S161 PolarHBondContact O-N 3.34Å; S161-F163 VanDerWaalsContact C-N 3.33Å; S161-F163 PolarHBondContact O-N 2.94Å; S161-V164 PolarHBondContact O-N 2.99Å; S161-S165 VanDerWaalsContact O-CB 3.27Å; S161-S165 WeakPolarHBondContact O-CB 3.36Å; S161-S165 PolarHBondContact O-N 3.01Å; S161-S165 PolarHBondContact O-OG 3.18Å; S161-S165 VanDerWaalsContact O-OG 3.06Å
162	W	87	Confident	89.5	Confident	16 Å²	16	57.4 Å²	57.4	6%	0.061	29%	0.294	C	S	.	.	H	α-helix	trans	-71.9	-23.7	177	-56	-15.8	0	0	0	113.8	H131 V134 I158 V159 M160 P166 P619	H131-W162 HydrophobicContact CB-CH2 4.32Å; H131-W162 AromaticContact CD2-CD2 3.51Å; H131-W162 AromaticContact CD2-CE2 3.46Å; H131-W162 VanDerWaalsContact CD2-CE2 3.46Å; H131-W162 AromaticContact CD2-CE3 3.78Å; H131-W162 AromaticContact CD2-CH2 3.92Å; H131-W162 AromaticContact CD2-CZ2 3.67Å; H131-W162 AromaticContact CD2-CZ3 3.98Å; H131-W162 AromaticContact CD2-NE1 3.96Å; H131-W162 AromaticContact CE1-CD2 3.71Å; H131-W162 AromaticContact CE1-CE3 3.57Å; H131-W162 AromaticContact CE1-CG 3.98Å; H131-W162 AromaticContact CG-CZ3 3.96Å; H131-W162 AromaticContact ND1-CE3 3.93Å; H131-W162 AromaticContact NE2-CD1 3.8Å; H131-W162 AromaticContact NE2-CD2 3.21Å; H131-W162 AromaticContact NE2-CE2 3.63Å; H131-W162 AromaticContact NE2-CE3 3.56Å; H131-W162 AromaticContact NE2-CG 3.33Å; H131-W162 VanDerWaalsContact NE2-CG 3.33Å; H131-W162 AromaticContact NE2-NE1 3.96Å; V134-W162 HydrophobicContact CB-CH2 3.97Å; V134-W162 HydrophobicContact CB-CZ2 3.87Å; V134-W162 HydrophobicContact CG1-CH2 3.67Å; V134-W162 HydrophobicContact CG1-CZ2 3.77Å; V134-W162 HydrophobicContact CG2-CZ2 4.03Å; I158-W162 HydrophobicContact CG2-CZ2 3.65Å; I158-W162 PolarHBondContact O-N 3.5Å; V159-W162 HydrophobicContact CB-CE3 4.49Å; V159-W162 HydrophobicContact CG2-CE3 4.2Å; V159-W162 HydrophobicContact CG2-CZ3 4.03Å; V159-W162 WeakPolarHBondContact O-CB 3.43Å; V159-W162 PolarHBondContact O-N 2.75Å; V159-W162 VanDerWaalsContact O-N 3.11Å; M160-W162 PolarHBondContact O-N 3.48Å; W162-P166 WeakPolarHBondContact O-CD 3.24Å; W162-P166 VanDerWaalsContact O-CG 3.26Å; W162-P166 WeakPolarHBondContact O-CG 3.26Å; W162-P619 PolarHBondContact NE1-O 3.29Å
163	F	86.6	Confident	89.7	Confident	93 Å²	93	52.2 Å²	52.2	41%	0.408	28%	0.275	S	S	.	.	H	α-helix	trans	-90.4	-33.1	171.2	-66.8	-76.9	0	0	0	112.6	V159 M160 S161 F651	V159-F163 HydrophobicContact CG1-CD2 4.45Å; V159-F163 HydrophobicContact CG1-CE2 3.97Å; V159-F163 VanDerWaalsContact O-CD2 3.31Å; V159-F163 WeakPolarHBondContact O-CD2 3.33Å; M160-F163 PolarHBondContact O-N 2.72Å; S161-F163 VanDerWaalsContact C-N 3.33Å; S161-F163 PolarHBondContact O-N 2.94Å; F163-F651 HydrophobicContact CD1-CE2 4.17Å; F163-F651 HydrophobicContact CD1-CZ 4.35Å; F163-F651 HydrophobicContact CE1-CE2 4.15Å; F163-F651 HydrophobicContact CE1-CZ 4.06Å
164	V	88.7	Confident	89.8	Confident	78 Å²	78	49 Å²	49	47%	0.473	25%	0.253	S	S	.	.	H	α-helix	trans	-75.2	-39.9	179.4	171.9	0	0	0	0	112.1	M160 S161 L167 L168	M160-V164 WeakPolarHBondContact O-CG2 3.4Å; M160-V164 PolarHBondContact O-N 3.49Å; S161-V164 PolarHBondContact O-N 2.99Å; V164-L167 PolarHBondContact O-N 2.9Å; V164-L168 VanDerWaalsContact O-CB 3.3Å; V164-L168 WeakPolarHBondContact O-CB 3.25Å; V164-L168 PolarHBondContact O-N 3.37Å
165	S	91.1	Very high	90.1	Very high	7 Å²	7	49.9 Å²	49.9	5%	0.049	26%	0.259	C	S	.	.	H	α-helix	trans	-67.8	-35.4	-174.3	70.5	0	0	0	0	114.9	S161 S169	S161-S165 VanDerWaalsContact O-CB 3.27Å; S161-S165 WeakPolarHBondContact O-CB 3.36Å; S161-S165 PolarHBondContact O-N 3.01Å; S161-S165 PolarHBondContact O-OG 3.18Å; S161-S165 VanDerWaalsContact O-OG 3.06Å; S165-S169 WeakPolarHBondContact O-CB 3.24Å; S165-S169 PolarHBondContact O-N 3.18Å
166	P	89.8	Confident	90.3	Very high	16 Å²	16	50.6 Å²	50.6	10%	0.104	26%	0.263	C	S	.	.	H	α-helix	trans	-69.8	-38	173.7	-21.4	37.4	0	0	0	112	W162 G170 H624	W162-P166 WeakPolarHBondContact O-CD 3.24Å; W162-P166 VanDerWaalsContact O-CG 3.26Å; W162-P166 WeakPolarHBondContact O-CG 3.26Å; P166-G170 PolarHBondContact O-N 2.9Å; P166-H624 HydrophobicContact CB-CB 4.33Å; P166-H624 WeakPolarHBondContact CB-O 3.38Å; P166-H624 HydrophobicContact CG-CB 3.55Å
167	L	89.9	Confident	90.4	Very high	114 Å²	114	45.9 Å²	45.9	60%	0.597	24%	0.239	S	C	*	.	H	α-helix	trans	-65.7	-47.9	176.4	177.5	60.9	0	0	0	111.2	V164 S169 G170 I171	V164-L167 PolarHBondContact O-N 2.9Å; L167-S169 PolarHBondContact O-N 3.47Å; L167-G170 PolarHBondContact O-N 2.97Å; L167-I171 HydrophobicContact CD1-CD1 3.98Å; L167-I171 HydrophobicContact CD1-CG1 4.39Å; L167-I171 HydrophobicContact CG-CD1 3.99Å; L167-I171 VanDerWaalsContact O-CG1 3.31Å; L167-I171 WeakPolarHBondContact O-CG1 3.33Å; L167-I171 PolarHBondContact O-N 3.32Å
168	L	91.5	Very high	90.5	Very high	67 Å²	67	46.8 Å²	46.8	35%	0.351	24%	0.243	S	C	.	.	H	α-helix	trans	-61.3	-44	176.3	-179.6	59.5	0	0	0	111.2	V164 G170 I171 M172 T609	V164-L168 VanDerWaalsContact O-CB 3.3Å; V164-L168 WeakPolarHBondContact O-CB 3.25Å; V164-L168 PolarHBondContact O-N 3.37Å; L168-G170 PolarHBondContact O-N 2.81Å; L168-I171 PolarHBondContact O-N 2.98Å; L168-M172 HydrophobicContact CD1-CE 4.4Å; L168-M172 HydrophobicContact CD1-CG 4.15Å; L168-M172 HydrophobicContact CG-CG 4.42Å; L168-M172 WeakPolarHBondContact O-CB 3.36Å; L168-M172 VanDerWaalsContact O-CG 3.27Å; L168-M172 WeakPolarHBondContact O-CG 3.44Å; L168-M172 PolarHBondContact O-N 2.99Å; L168-T609 HydrophobicContact CB-CG2 4.44Å; L168-T609 HydrophobicContact CD2-CG2 4.23Å; L168-T609 HydrophobicContact CG-CG2 4.33Å
169	S	93.8	Very high	90.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-40.2	176.3	-160.7	0	0	0	0	112.1	S165 L167 M172 S173 S606 T609 C625 S629	S165-S169 WeakPolarHBondContact O-CB 3.24Å; S165-S169 PolarHBondContact O-N 3.18Å; L167-S169 PolarHBondContact O-N 3.47Å; S169-M172 PolarHBondContact O-N 2.87Å; S169-S173 VanDerWaalsContact O-CB 3.32Å; S169-S173 WeakPolarHBondContact O-CB 3.47Å; S169-S173 PolarHBondContact O-N 2.87Å; S169-S173 PolarHBondContact O-OG 3.16Å; S169-S606 WeakPolarHBondContact OG-CA 3.27Å; S169-T609 WeakPolarHBondContact CA-OG1 3.41Å; S169-C625 WeakPolarHBondContact CB-O 3.31Å; S169-C625 PolarHBondContact OG-O 3.04Å; S169-C625 VanDerWaalsContact OG-O 3.07Å; S169-S629 PolarHBondContact O-OG 3.11Å; S169-S629 VanDerWaalsContact O-OG 3.11Å; S169-S629 PolarHBondContact OG-OG 3.01Å
170	G	91.3	Very high	90.7	Very high	9 Å²	9	48.2 Å²	48.2	9%	0.093	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-43.7	172.2	0	0	0	0	0	113.1	P166 L167 L168 S173 G174 G628 S632	P166-G170 PolarHBondContact O-N 2.9Å; L167-G170 PolarHBondContact O-N 2.97Å; L168-G170 PolarHBondContact O-N 2.81Å; G170-S173 WeakPolarHBondContact CA-OG 3.35Å; G170-S173 PolarHBondContact O-OG 3.18Å; G170-G174 PolarHBondContact O-N 3.01Å; G170-G628 WeakPolarHBondContact CA-O 3.4Å; G170-S632 WeakPolarHBondContact O-CB 3.42Å; G170-S632 PolarHBondContact O-OG 3.4Å
171	I	92.9	Very high	90.7	Very high	82 Å²	82	45 Å²	45	42%	0.421	23%	0.23	S	C	.	.	H	α-helix	trans	-66.3	-47.3	176.9	-67.9	164.6	0	0	0	110.5	L167 L168 G174 I175	L167-I171 HydrophobicContact CD1-CD1 3.98Å; L167-I171 HydrophobicContact CD1-CG1 4.39Å; L167-I171 HydrophobicContact CG-CD1 3.99Å; L167-I171 VanDerWaalsContact O-CG1 3.31Å; L167-I171 WeakPolarHBondContact O-CG1 3.33Å; L167-I171 PolarHBondContact O-N 3.32Å; L168-I171 PolarHBondContact O-N 2.98Å; I171-G174 PolarHBondContact O-N 3.45Å; I171-I175 HydrophobicContact CG2-CD1 3.75Å; I171-I175 HydrophobicContact CG2-CG1 4.47Å; I171-I175 VanDerWaalsContact O-CG1 3.28Å; I171-I175 WeakPolarHBondContact O-CG1 3.41Å; I171-I175 PolarHBondContact O-N 3.25Å
172	M	93.4	Very high	90.6	Very high	69 Å²	69	46 Å²	46	34%	0.34	24%	0.24	S	C	.	.	H	α-helix	trans	-61.7	-47	179.6	-72.2	-64.8	103.1	0	0	112.5	L168 S169 G174 I175 L176 A605	L168-M172 HydrophobicContact CD1-CE 4.4Å; L168-M172 HydrophobicContact CD1-CG 4.15Å; L168-M172 HydrophobicContact CG-CG 4.42Å; L168-M172 WeakPolarHBondContact O-CB 3.36Å; L168-M172 VanDerWaalsContact O-CG 3.27Å; L168-M172 WeakPolarHBondContact O-CG 3.44Å; L168-M172 PolarHBondContact O-N 2.99Å; S169-M172 PolarHBondContact O-N 2.87Å; M172-G174 VanDerWaalsContact C-N 3.35Å; M172-I175 HydrophobicContact CE-CD1 4.16Å; M172-L176 VanDerWaalsContact O-CB 3.23Å; M172-L176 WeakPolarHBondContact O-CB 3.04Å; M172-L176 PolarHBondContact O-N 3.18Å; M172-A605 HydrophobicContact CB-CB 3.97Å
173	S	93.9	Very high	90.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.1	-36.5	176.7	56	0	0	0	0	112.4	S169 G170 L176 F177 A605 S629	S169-S173 VanDerWaalsContact O-CB 3.32Å; S169-S173 WeakPolarHBondContact O-CB 3.47Å; S169-S173 PolarHBondContact O-N 2.87Å; S169-S173 PolarHBondContact O-OG 3.16Å; G170-S173 WeakPolarHBondContact CA-OG 3.35Å; G170-S173 PolarHBondContact O-OG 3.18Å; S173-L176 PolarHBondContact O-N 2.93Å; S173-F177 VanDerWaalsContact O-CB 3.23Å; S173-F177 WeakPolarHBondContact O-CB 3.5Å; S173-F177 PolarHBondContact O-N 3.47Å; S173-A605 VanDerWaalsContact CA-CB 3.42Å; S173-A605 VanDerWaalsContact N-CB 3.31Å; S173-S629 WeakPolarHBondContact CB-OG 3.42Å; S173-S629 VanDerWaalsContact OG-CA 3.27Å; S173-S629 WeakPolarHBondContact OG-CA 3.43Å; S173-S629 PolarHBondContact OG-OG 3.48Å
174	G	91.1	Very high	90.7	Very high	8 Å²	8	47.7 Å²	47.7	8%	0.082	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-46.2	177.2	0	0	0	0	0	112.5	G170 I171 M172 F178 S632 L636	G170-G174 PolarHBondContact O-N 3.01Å; I171-G174 PolarHBondContact O-N 3.45Å; M172-G174 VanDerWaalsContact C-N 3.35Å; G174-F178 VanDerWaalsContact O-CB 3.27Å; G174-F178 WeakPolarHBondContact O-CB 3.22Å; G174-F178 PolarHBondContact O-N 3.46Å; G174-S632 WeakPolarHBondContact CA-OG 3.36Å; G174-L636 VanDerWaalsContact CA-CD1 3.42Å; G174-L636 VanDerWaalsContact O-CD1 3.29Å; G174-L636 WeakPolarHBondContact O-CD1 3.5Å
175	I	93.9	Very high	90.4	Very high	88 Å²	88	46 Å²	46	45%	0.451	24%	0.236	S	C	.	.	H	α-helix	trans	-62	-48.6	173.4	-66.6	170.1	0	0	0	110.1	I171 M172 F177 F178 L179	I171-I175 HydrophobicContact CG2-CD1 3.75Å; I171-I175 HydrophobicContact CG2-CG1 4.47Å; I171-I175 VanDerWaalsContact O-CG1 3.28Å; I171-I175 WeakPolarHBondContact O-CG1 3.41Å; I171-I175 PolarHBondContact O-N 3.25Å; M172-I175 HydrophobicContact CE-CD1 4.16Å; I175-F177 PolarHBondContact O-N 3.39Å; I175-F178 PolarHBondContact O-N 2.92Å; I175-L179 HydrophobicContact CG2-CD1 3.9Å; I175-L179 HydrophobicContact CG2-CG 4.4Å; I175-L179 VanDerWaalsContact O-CG 3.25Å; I175-L179 WeakPolarHBondContact O-CG 3.36Å; I175-L179 PolarHBondContact O-N 2.89Å
176	L	92.7	Very high	90.1	Very high	29 Å²	29	52.8 Å²	52.8	15%	0.152	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-47.1	179.6	175.7	61.4	0	0	0	112.1	M172 S173 L179 V180 F201 L604 A605	M172-L176 VanDerWaalsContact O-CB 3.23Å; M172-L176 WeakPolarHBondContact O-CB 3.04Å; M172-L176 PolarHBondContact O-N 3.18Å; S173-L176 PolarHBondContact O-N 2.93Å; L176-L179 PolarHBondContact O-N 2.9Å; L176-V180 HydrophobicContact CD1-CG2 4.34Å; L176-V180 WeakPolarHBondContact O-CB 3.36Å; L176-V180 WeakPolarHBondContact O-CG2 3.33Å; L176-V180 PolarHBondContact O-N 3.26Å; L176-F201 HydrophobicContact CD1-CE1 4.15Å; L176-L604 HydrophobicContact CD1-CD2 4.45Å; L176-L604 HydrophobicContact CD2-CB 3.8Å; L176-L604 HydrophobicContact CD2-CD2 3.81Å; L176-L604 HydrophobicContact CD2-CG 3.96Å; L176-A605 HydrophobicContact CD2-CB 4.47Å
177	F	91.7	Very high	89.8	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.026	28%	0.281	C	S	.	.	H	α-helix	trans	-66.9	-37.9	178.3	-176.2	-110.9	0	0	0	111.9	S173 I175 V180 R181 V633 L636 R637	S173-F177 VanDerWaalsContact O-CB 3.23Å; S173-F177 WeakPolarHBondContact O-CB 3.5Å; S173-F177 PolarHBondContact O-N 3.47Å; I175-F177 PolarHBondContact O-N 3.39Å; F177-V180 PolarHBondContact O-N 2.8Å; F177-R181 VanDerWaalsContact O-CB 3.23Å; F177-R181 WeakPolarHBondContact O-CB 3.34Å; F177-R181 PolarHBondContact O-N 2.9Å; F177-V633 HydrophobicContact CB-CG1 4.28Å; F177-V633 HydrophobicContact CB-CG2 3.91Å; F177-V633 HydrophobicContact CD1-CG1 3.96Å; F177-V633 HydrophobicContact CD2-CG1 3.86Å; F177-V633 HydrophobicContact CE1-CG1 4.23Å; F177-V633 HydrophobicContact CE2-CG1 4.15Å; F177-V633 HydrophobicContact CG-CG1 3.76Å; F177-V633 HydrophobicContact CG-CG2 4.3Å; F177-V633 HydrophobicContact CZ-CG1 4.33Å; F177-L636 HydrophobicContact CD1-CB 3.93Å; F177-L636 HydrophobicContact CD1-CD1 4.32Å; F177-L636 HydrophobicContact CE1-CB 4.19Å; F177-R637 HydrophobicContact CE1-CB 4.47Å
178	F	90.4	Very high	89.1	Confident	130 Å²	130	55.9 Å²	55.9	57%	0.57	29%	0.292	S	S	*	.	H	α-helix	trans	-61.3	-44.9	172.2	175.4	-95.6	0	0	0	111.9	G174 I175 R181 A182	G174-F178 VanDerWaalsContact O-CB 3.27Å; G174-F178 WeakPolarHBondContact O-CB 3.22Å; G174-F178 PolarHBondContact O-N 3.46Å; I175-F178 PolarHBondContact O-N 2.92Å; F178-R181 PolarHBondContact O-N 3.26Å; F178-A182 WeakPolarHBondContact O-CB 3.21Å; F178-A182 PolarHBondContact O-N 2.82Å
179	L	90.9	Very high	88.6	Confident	77 Å²	77	56.8 Å²	56.8	40%	0.403	30%	0.297	S	S	.	.	H	α-helix	trans	-63.3	-46.5	176.2	-68.2	169.8	0	0	0	111.5	I175 L176 R181 A182 F183	I175-L179 HydrophobicContact CG2-CD1 3.9Å; I175-L179 HydrophobicContact CG2-CG 4.4Å; I175-L179 VanDerWaalsContact O-CG 3.25Å; I175-L179 WeakPolarHBondContact O-CG 3.36Å; I175-L179 PolarHBondContact O-N 2.89Å; L176-L179 PolarHBondContact O-N 2.9Å; L179-R181 VanDerWaalsContact C-N 3.3Å; L179-R181 PolarHBondContact O-N 3.33Å; L179-A182 PolarHBondContact O-N 3.3Å; L179-F183 HydrophobicContact CB-CD2 4.4Å; L179-F183 HydrophobicContact CD2-CD2 4.13Å; L179-F183 HydrophobicContact CD2-CE2 3.71Å; L179-F183 WeakPolarHBondContact O-CB 3.46Å; L179-F183 WeakPolarHBondContact O-CD2 3.4Å; L179-F183 PolarHBondContact O-N 3.03Å
180	V	89.5	Confident	88	Confident	3 Å²	3	57 Å²	57	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-56.7	-45.2	173.3	163.4	0	0	0	0	110.9	L176 F177 I184 L185 F201 F515 F600	L176-V180 HydrophobicContact CD1-CG2 4.34Å; L176-V180 WeakPolarHBondContact O-CB 3.36Å; L176-V180 WeakPolarHBondContact O-CG2 3.33Å; L176-V180 PolarHBondContact O-N 3.26Å; F177-V180 PolarHBondContact O-N 2.8Å; V180-I184 WeakPolarHBondContact O-CA 3.28Å; V180-I184 WeakPolarHBondContact O-CB 3.37Å; V180-I184 PolarHBondContact O-N 2.88Å; V180-L185 HydrophobicContact CG1-CD1 4.16Å; V180-L185 HydrophobicContact CG1-CD2 4.48Å; V180-L185 HydrophobicContact CG1-CG 4.08Å; V180-L185 PolarHBondContact O-N 3.36Å; V180-L185 VanDerWaalsContact O-N 3.1Å; V180-F201 HydrophobicContact CG2-CZ 4.06Å; V180-F515 HydrophobicContact CG1-CE1 4.08Å; V180-F515 HydrophobicContact CG1-CE2 4.37Å; V180-F515 HydrophobicContact CG1-CZ 3.58Å; V180-F600 HydrophobicContact CG2-CD1 4.48Å; V180-F600 HydrophobicContact CG2-CE1 4.02Å
181	R	87.1	Confident	87.6	Confident	40 Å²	40	57.7 Å²	57.7	15%	0.151	30%	0.301	C	S	.	.	I	π-helix	trans	-64.3	-45.6	179.9	-167.3	174.5	-174.9	150.3	16.3	112	F177 F178 L179 L185 H186 D505 L636	F177-R181 VanDerWaalsContact O-CB 3.23Å; F177-R181 WeakPolarHBondContact O-CB 3.34Å; F177-R181 PolarHBondContact O-N 2.9Å; F178-R181 PolarHBondContact O-N 3.26Å; L179-R181 VanDerWaalsContact C-N 3.3Å; L179-R181 PolarHBondContact O-N 3.33Å; R181-L185 HydrophobicContact CB-CD1 4.28Å; R181-L185 HydrophobicContact CG-CB 4.43Å; R181-L185 HydrophobicContact CG-CD1 4.33Å; R181-L185 PolarHBondContact O-N 3.12Å; R181-H186 PolarHBondContact NE-CE1 3.49Å; R181-H186 PolarHBondContact NE-NE2 3.33Å; R181-H186 PolarHBondContact NH2-NE2 3.09Å; R181-H186 WeakPolarHBondContact O-CB 3.31Å; R181-H186 PolarHBondContact O-N 3.19Å; R181-D505 IonicContact CZ-OD2 3.45Å; R181-D505 VanDerWaalsContact CZ-OD2 3.32Å; R181-D505 IonicContact NH1-OD2 3.52Å; R181-D505 PolarHBondContact NH1-OD2 2.95Å; R181-D505 VanDerWaalsContact NH2-CG 3.29Å; R181-D505 IonicContact NH2-OD1 3.72Å; R181-D505 PolarHBondContact NH2-OD1 3.5Å; R181-D505 IonicContact NH2-OD2 3.14Å; R181-D505 PolarHBondContact NH2-OD2 3.41Å; R181-L636 PolarHBondContact NH1-O 3.07Å
182	A	86.4	Confident	87.2	Confident	34 Å²	34	56.1 Å²	56.1	28%	0.281	30%	0.296	S	S	.	.	I	π-helix	trans	-74	-39.6	-177.7	0	0	0	0	0	114.3	F178 L179	F178-A182 WeakPolarHBondContact O-CB 3.21Å; F178-A182 PolarHBondContact O-N 2.82Å; L179-A182 PolarHBondContact O-N 3.3Å
183	F	86.5	Confident	86.9	Confident	137 Å²	137	55.2 Å²	55.2	60%	0.601	29%	0.293	S	S	*	.	I	π-helix	trans	-92.9	-25.6	-175.1	-71.3	-71.8	0	0	0	114.2	L179 K187	L179-F183 HydrophobicContact CB-CD2 4.4Å; L179-F183 HydrophobicContact CD2-CD2 4.13Å; L179-F183 HydrophobicContact CD2-CE2 3.71Å; L179-F183 WeakPolarHBondContact O-CB 3.46Å; L179-F183 WeakPolarHBondContact O-CD2 3.4Å; L179-F183 PolarHBondContact O-N 3.03Å; F183-K187 WeakPolarHBondContact O-CG 3.17Å
184	I	87.4	Confident	86.5	Confident	7 Å²	7	55.2 Å²	55.2	4%	0.036	29%	0.293	C	S	.	.	I	π-helix	trans	-114.8	-63.4	-178.3	-53.6	169.3	0	0	0	110.6	V180 H186 K187 P190 A197 F201 F515	V180-I184 WeakPolarHBondContact O-CA 3.28Å; V180-I184 WeakPolarHBondContact O-CB 3.37Å; V180-I184 PolarHBondContact O-N 2.88Å; I184-H186 PolarHBondContact O-N 2.88Å; I184-K187 PolarHBondContact O-N 2.93Å; I184-P190 HydrophobicContact CG2-CB 4.38Å; I184-P190 VanDerWaalsContact O-CB 3.26Å; I184-P190 WeakPolarHBondContact O-CB 3.36Å; I184-A197 HydrophobicContact CD1-CB 3.87Å; I184-F201 HydrophobicContact CD1-CE2 4.05Å; I184-F201 HydrophobicContact CD1-CZ 4.38Å; I184-F515 HydrophobicContact CD1-CZ 3.91Å; I184-F515 HydrophobicContact CG2-CE2 4.13Å; I184-F515 HydrophobicContact CG2-CZ 4.38Å
185	L	84.3	Confident	86.3	Confident	42 Å²	42	55.7 Å²	55.7	22%	0.22	29%	0.293	C	S	.	.	I	π-helix	trans	-68.6	-40.2	-165.4	-52	-179.4	0	0	0	114	V180 R181 K187 V511 F515	V180-L185 HydrophobicContact CG1-CD1 4.16Å; V180-L185 HydrophobicContact CG1-CD2 4.48Å; V180-L185 HydrophobicContact CG1-CG 4.08Å; V180-L185 PolarHBondContact O-N 3.36Å; V180-L185 VanDerWaalsContact O-N 3.1Å; R181-L185 HydrophobicContact CB-CD1 4.28Å; R181-L185 HydrophobicContact CG-CB 4.43Å; R181-L185 HydrophobicContact CG-CD1 4.33Å; R181-L185 PolarHBondContact O-N 3.12Å; L185-K187 VanDerWaalsContact C-N 3.26Å; L185-K187 PolarHBondContact O-N 3.2Å; L185-V511 HydrophobicContact CD2-CG1 3.48Å; L185-V511 VanDerWaalsContact CD2-CG1 3.48Å; L185-F515 HydrophobicContact CD2-CE2 3.9Å
186	H	83.1	Confident	86.1	Confident	151 Å²	151	59 Å²	59	70%	0.699	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	9.6	-179.5	-73	161.8	0	0	0	114.3	R181 I184	R181-H186 PolarHBondContact NE-CE1 3.49Å; R181-H186 PolarHBondContact NE-NE2 3.33Å; R181-H186 PolarHBondContact NH2-NE2 3.09Å; R181-H186 WeakPolarHBondContact O-CB 3.31Å; R181-H186 PolarHBondContact O-N 3.19Å; I184-H186 PolarHBondContact O-N 2.88Å
187	K	84.1	Confident	85.9	Confident	95 Å²	95	58.5 Å²	58.5	41%	0.413	30%	0.3	S	S	.	.	S	Bend	trans	-87.2	143.6	172.9	-63.2	-59.5	-177.3	-175.1	0	110.9	F183 I184 L185 D189	F183-K187 WeakPolarHBondContact O-CG 3.17Å; I184-K187 PolarHBondContact O-N 2.93Å; L185-K187 VanDerWaalsContact C-N 3.26Å; L185-K187 PolarHBondContact O-N 3.2Å; K187-D189 VanDerWaalsContact C-N 3.33Å; K187-D189 PolarHBondContact O-N 2.89Å
188	A	75.9	Confident	85.7	Confident	100 Å²	100	58.2 Å²	58.2	83%	0.826	30%	0.299	S	S	*	.	S	Bend	trans	-53.2	-50.1	-179.5	0	0	0	0	0	111.8
189	D	80.2	Confident	85.8	Confident	86 Å²	86	52.4 Å²	52.4	46%	0.46	27%	0.274	S	S	.	.	S	Bend	trans	-105.9	108.1	161.7	-176.8	4.4	0	0	0	110.1	K187 V191 P192 N193	K187-D189 VanDerWaalsContact C-N 3.33Å; K187-D189 PolarHBondContact O-N 2.89Å; D189-V191 WeakPolarHBondContact OD1-CB 3.25Å; D189-V191 PolarHBondContact OD1-N 2.96Å; D189-P192 HydrophobicContact CB-CG 4.45Å; D189-P192 WeakPolarHBondContact OD1-CD 3.28Å; D189-P192 WeakPolarHBondContact OD2-CD 3.43Å; D189-P192 VanDerWaalsContact OD2-CG 3.31Å; D189-P192 WeakPolarHBondContact OD2-CG 3.47Å; D189-N193 PolarHBondContact O-ND2 3.18Å
190	P	81.3	Confident	85.9	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.032	28%	0.279	C	S	.	.			trans	-81.3	-21.6	178.7	33.2	-35.9	0	0	0	112.9	I184 N193 G194 K508 V511	I184-P190 HydrophobicContact CG2-CB 4.38Å; I184-P190 VanDerWaalsContact O-CB 3.26Å; I184-P190 WeakPolarHBondContact O-CB 3.36Å; P190-N193 PolarHBondContact O-N 3.14Å; P190-G194 PolarHBondContact O-N 3.29Å; P190-K508 HydrophobicContact CG-CD 4.47Å; P190-V511 HydrophobicContact CB-CG2 3.63Å; P190-V511 HydrophobicContact CG-CG2 3.22Å
191	V	82.8	Confident	86	Confident	23 Å²	23	54.1 Å²	54.1	14%	0.139	29%	0.285	C	S	.	.	H	α-helix	trans	-64.7	-51.7	-169.7	-177.5	0	0	0	0	113.4	D189 N193 G194 L195 I258 E510	D189-V191 WeakPolarHBondContact OD1-CB 3.25Å; D189-V191 PolarHBondContact OD1-N 2.96Å; V191-N193 VanDerWaalsContact C-N 3.29Å; V191-N193 PolarHBondContact O-N 2.94Å; V191-G194 PolarHBondContact O-N 2.95Å; V191-L195 HydrophobicContact CG1-CD1 3.89Å; V191-L195 HydrophobicContact CG1-CG 4.35Å; V191-L195 WeakPolarHBondContact O-CB 3.29Å; V191-L195 VanDerWaalsContact O-CG 3.26Å; V191-L195 WeakPolarHBondContact O-CG 3.43Å; V191-L195 PolarHBondContact O-N 3.4Å; V191-I258 HydrophobicContact CG1-CD1 4.13Å; V191-I258 HydrophobicContact CG1-CG2 4.31Å; V191-E510 HydrophobicContact CG2-CB 3.49Å; V191-E510 VanDerWaalsContact CG2-CB 3.49Å; V191-E510 HydrophobicContact CG2-CG 4.18Å
192	P	85.5	Confident	86.2	Confident	48 Å²	48	54.1 Å²	54.1	31%	0.312	29%	0.285	S	S	.	.	H	α-helix	trans	-70.7	-27	-178.8	29.4	-34.9	0	0	0	112.1	D189 R196	D189-P192 HydrophobicContact CB-CG 4.45Å; D189-P192 WeakPolarHBondContact OD1-CD 3.28Å; D189-P192 WeakPolarHBondContact OD2-CD 3.43Å; D189-P192 VanDerWaalsContact OD2-CG 3.31Å; D189-P192 WeakPolarHBondContact OD2-CG 3.47Å; P192-R196 WeakPolarHBondContact O-CD 3.22Å; P192-R196 VanDerWaalsContact O-CG 3.23Å; P192-R196 WeakPolarHBondContact O-CG 3.4Å; P192-R196 PolarHBondContact O-N 2.87Å; P192-R196 VanDerWaalsContact O-N 3.13Å
193	N	86.3	Confident	86.5	Confident	51 Å²	51	53.3 Å²	53.3	27%	0.273	28%	0.278	S	S	.	.	H	α-helix	trans	-71	-45.7	175.1	-66.2	-56.9	0	0	0	110.5	D189 P190 V191 R196 A197	D189-N193 PolarHBondContact O-ND2 3.18Å; P190-N193 PolarHBondContact O-N 3.14Å; V191-N193 VanDerWaalsContact C-N 3.29Å; V191-N193 PolarHBondContact O-N 2.94Å; N193-R196 PolarHBondContact O-N 3.15Å; N193-A197 PolarHBondContact O-N 3.36Å
194	G	85.4	Confident	86.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-42.9	172.7	0	0	0	0	0	113.8	P190 V191 R196 A197 L198	P190-G194 PolarHBondContact O-N 3.29Å; V191-G194 PolarHBondContact O-N 2.95Å; G194-R196 PolarHBondContact O-N 2.93Å; G194-A197 PolarHBondContact O-N 2.97Å; G194-L198 PolarHBondContact O-N 3.39Å
195	L	87.1	Confident	86.9	Confident	17 Å²	17	49.7 Å²	49.7	9%	0.089	27%	0.27	C	S	.	.	H	α-helix	trans	-62.7	-28.1	174.5	-73.1	171.1	0	0	0	113.2	V191 L198 C251 M254 K255 I258 L514	V191-L195 HydrophobicContact CG1-CD1 3.89Å; V191-L195 HydrophobicContact CG1-CG 4.35Å; V191-L195 WeakPolarHBondContact O-CB 3.29Å; V191-L195 VanDerWaalsContact O-CG 3.26Å; V191-L195 WeakPolarHBondContact O-CG 3.43Å; V191-L195 PolarHBondContact O-N 3.4Å; L195-L198 HydrophobicContact CD2-CD1 3.79Å; L195-C251 PolarHBondContact O-SG 2.98Å; L195-M254 HydrophobicContact CD2-CB 4.04Å; L195-K255 HydrophobicContact CD1-CB 3.84Å; L195-K255 HydrophobicContact CD1-CD 4.32Å; L195-K255 HydrophobicContact CD1-CG 4.23Å; L195-I258 HydrophobicContact CD2-CD1 4.45Å; L195-L514 HydrophobicContact CD2-CD1 4.14Å; L195-L514 HydrophobicContact CG-CD1 4.44Å
196	R	88.6	Confident	87.3	Confident	157 Å²	157	50.2 Å²	50.2	59%	0.592	28%	0.275	S	S	*	.	H	α-helix	trans	-77.5	-32.1	171.7	-74.6	168.2	174.8	175.1	-2.6	112.5	P192 N193 G194 P199 W247	P192-R196 WeakPolarHBondContact O-CD 3.22Å; P192-R196 VanDerWaalsContact O-CG 3.23Å; P192-R196 WeakPolarHBondContact O-CG 3.4Å; P192-R196 PolarHBondContact O-N 2.87Å; P192-R196 VanDerWaalsContact O-N 3.13Å; N193-R196 PolarHBondContact O-N 3.15Å; G194-R196 PolarHBondContact O-N 2.93Å; R196-P199 WeakPolarHBondContact O-CD 3.47Å; R196-W247 HydrophobicContact CB-CZ3 4.38Å; R196-W247 HydrophobicContact CG-CH2 4.13Å; R196-W247 HydrophobicContact CG-CZ3 4.02Å
197	A	88.9	Confident	87.8	Confident	19 Å²	19	43.5 Å²	43.5	16%	0.157	25%	0.246	C	C	.	.	H	α-helix	trans	-76.3	-29.8	177.9	0	0	0	0	0	113.5	I184 N193 G194 V200 F201	I184-A197 HydrophobicContact CD1-CB 3.87Å; N193-A197 PolarHBondContact O-N 3.36Å; G194-A197 PolarHBondContact O-N 2.97Å; A197-V200 WeakPolarHBondContact O-CB 3.26Å; A197-V200 PolarHBondContact O-N 3.01Å; A197-F201 HydrophobicContact CB-CD2 4.17Å; A197-F201 HydrophobicContact CB-CE2 3.7Å; A197-F201 HydrophobicContact CB-CZ 4.41Å; A197-F201 WeakPolarHBondContact O-CD2 3.29Å; A197-F201 PolarHBondContact O-N 3.09Å; A197-F201 VanDerWaalsContact O-N 3.1Å
198	L	88.4	Confident	88.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-40.5	-60.7	177	-82.4	177	0	0	0	114.1	G194 L195 V200 F201 Y202 V246 M254 L514 L518	G194-L198 PolarHBondContact O-N 3.39Å; L195-L198 HydrophobicContact CD2-CD1 3.79Å; L198-V200 PolarHBondContact O-N 3.29Å; L198-F201 PolarHBondContact O-N 2.9Å; L198-F201 VanDerWaalsContact O-N 3.16Å; L198-Y202 HydrophobicContact CD2-CE2 4.4Å; L198-Y202 WeakPolarHBondContact O-CD2 3.26Å; L198-Y202 PolarHBondContact O-N 2.84Å; L198-V246 HydrophobicContact CB-CG1 4.27Å; L198-M254 HydrophobicContact CD1-CE 3.85Å; L198-M254 HydrophobicContact CD1-SD 3.53Å; L198-M254 VanDerWaalsContact CD1-SD 3.53Å; L198-M254 HydrophobicContact CD2-CE 4.25Å; L198-M254 HydrophobicContact CD2-SD 4.28Å; L198-L514 HydrophobicContact CD1-CD1 3.82Å; L198-L514 HydrophobicContact CD2-CD1 4.07Å; L198-L514 HydrophobicContact CG-CD1 3.87Å; L198-L518 HydrophobicContact CD2-CD1 3.94Å; L198-L518 HydrophobicContact CD2-CD2 3.79Å; L198-L518 HydrophobicContact CD2-CG 3.62Å
199	P	92.2	Very high	88.9	Confident	8 Å²	8	38 Å²	38	5%	0.052	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-24.5	-177	19.6	-27.9	0	0	0	113.7	R196 A203 A243 V246 W247	R196-P199 WeakPolarHBondContact O-CD 3.47Å; P199-A203 WeakPolarHBondContact O-CB 3.25Å; P199-A203 PolarHBondContact O-N 3.03Å; P199-A243 HydrophobicContact CB-CB 3.96Å; P199-A243 WeakPolarHBondContact CB-O 3.36Å; P199-V246 HydrophobicContact CB-CB 3.96Å; P199-V246 HydrophobicContact CB-CG1 3.79Å; P199-V246 HydrophobicContact CG-CG1 4.41Å; P199-W247 HydrophobicContact CB-CB 4.46Å; P199-W247 HydrophobicContact CG-CB 4.29Å; P199-W247 HydrophobicContact CG-CE3 3.86Å
200	V	92.3	Very high	89.4	Confident	85 Å²	85	35.9 Å²	35.9	52%	0.515	20%	0.196	S	C	.	.	H	α-helix	trans	-69.1	-48	173	-174.1	0	0	0	0	110	A197 L198 Y202 A203 C204	A197-V200 WeakPolarHBondContact O-CB 3.26Å; A197-V200 PolarHBondContact O-N 3.01Å; L198-V200 PolarHBondContact O-N 3.29Å; V200-Y202 PolarHBondContact O-N 2.84Å; V200-A203 PolarHBondContact O-N 3.14Å; V200-C204 WeakPolarHBondContact O-CB 3.4Å; V200-C204 PolarHBondContact O-N 3.43Å; V200-C204 PolarHBondContact O-SG 2.92Å
201	F	91.6	Very high	89.9	Confident	32 Å²	32	38.6 Å²	38.6	14%	0.14	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-40.1	177.4	-64.7	-51.3	0	0	0	112.7	L176 V180 I184 A197 L198 T205 L518 F600 L604	L176-F201 HydrophobicContact CD1-CE1 4.15Å; V180-F201 HydrophobicContact CG2-CZ 4.06Å; I184-F201 HydrophobicContact CD1-CE2 4.05Å; I184-F201 HydrophobicContact CD1-CZ 4.38Å; A197-F201 HydrophobicContact CB-CD2 4.17Å; A197-F201 HydrophobicContact CB-CE2 3.7Å; A197-F201 HydrophobicContact CB-CZ 4.41Å; A197-F201 WeakPolarHBondContact O-CD2 3.29Å; A197-F201 PolarHBondContact O-N 3.09Å; A197-F201 VanDerWaalsContact O-N 3.1Å; L198-F201 PolarHBondContact O-N 2.9Å; L198-F201 VanDerWaalsContact O-N 3.16Å; F201-T205 WeakPolarHBondContact O-CB 3.29Å; F201-T205 PolarHBondContact O-N 3.4Å; F201-T205 PolarHBondContact O-OG1 3.45Å; F201-L518 HydrophobicContact CB-CD2 3.8Å; F201-L518 HydrophobicContact CD2-CD1 3.87Å; F201-L518 HydrophobicContact CD2-CD2 4.05Å; F201-L518 HydrophobicContact CE2-CD1 4.27Å; F201-L518 HydrophobicContact CG-CD2 4.32Å; F201-F600 HydrophobicContact CB-CZ 4.29Å; F201-F600 HydrophobicContact CD1-CE1 4.44Å; F201-F600 AromaticContact CD1-CZ 3.7Å; F201-F600 HydrophobicContact CD1-CZ 3.7Å; F201-F600 AromaticContact CD2-CZ 3.92Å; F201-F600 HydrophobicContact CD2-CZ 3.92Å; F201-F600 HydrophobicContact CE1-CE1 4.17Å; F201-F600 AromaticContact CE1-CZ 3.88Å; F201-F600 HydrophobicContact CE1-CZ 3.88Å; F201-F600 HydrophobicContact CE2-CE1 4.25Å; F201-F600 HydrophobicContact CE2-CZ 4.09Å; F201-F600 HydrophobicContact CG-CE2 4.44Å; F201-F600 AromaticContact CG-CZ 3.72Å; F201-F600 HydrophobicContact CG-CZ 3.72Å; F201-F600 HydrophobicContact CZ-CE1 4.07Å; F201-F600 HydrophobicContact CZ-CZ 4.08Å; F201-L604 HydrophobicContact CD1-CD2 4.4Å
202	Y	91.6	Very high	90.2	Very high	40 Å²	40	37.5 Å²	37.5	16%	0.157	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-45.8	173.3	-88.7	-101.4	0	0	0	111.9	L198 V200 T205 V206 V246 L518 L521	L198-Y202 HydrophobicContact CD2-CE2 4.4Å; L198-Y202 WeakPolarHBondContact O-CD2 3.26Å; L198-Y202 PolarHBondContact O-N 2.84Å; V200-Y202 PolarHBondContact O-N 2.84Å; Y202-T205 PolarHBondContact O-N 2.89Å; Y202-V206 WeakPolarHBondContact O-CG2 3.45Å; Y202-V206 PolarHBondContact O-N 3.33Å; Y202-V246 HydrophobicContact CD1-CG2 3.79Å; Y202-V246 HydrophobicContact CD2-CG1 4.22Å; Y202-V246 HydrophobicContact CD2-CG2 4.39Å; Y202-V246 HydrophobicContact CE1-CG2 4.45Å; Y202-V246 HydrophobicContact CG-CG1 4.34Å; Y202-V246 HydrophobicContact CG-CG2 3.76Å; Y202-L518 HydrophobicContact CD2-CD2 4.23Å; Y202-L518 HydrophobicContact CE2-CD2 4.06Å; Y202-L521 HydrophobicContact CD1-CD1 4.23Å; Y202-L521 HydrophobicContact CD1-CD2 3.81Å; Y202-L521 HydrophobicContact CD2-CD2 3.83Å; Y202-L521 HydrophobicContact CE1-CD1 3.95Å; Y202-L521 HydrophobicContact CE1-CD2 3.87Å; Y202-L521 HydrophobicContact CE1-CG 4.36Å; Y202-L521 HydrophobicContact CE2-CD2 3.9Å; Y202-L521 HydrophobicContact CG-CD2 3.78Å
203	A	93.4	Very high	90.4	Very high	16 Å²	16	36.5 Å²	36.5	13%	0.132	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-44.7	177.9	0	0	0	0	0	112.9	P199 V200 T205 G207 A239 A243	P199-A203 WeakPolarHBondContact O-CB 3.25Å; P199-A203 PolarHBondContact O-N 3.03Å; V200-A203 PolarHBondContact O-N 3.14Å; A203-T205 PolarHBondContact O-N 2.96Å; A203-G207 WeakPolarHBondContact O-CA 3.43Å; A203-G207 PolarHBondContact O-N 2.92Å; A203-A239 HydrophobicContact CB-CB 4.13Å; A203-A239 VanDerWaalsContact CB-O 3.26Å; A203-A239 WeakPolarHBondContact CB-O 3.04Å; A203-A239 WeakPolarHBondContact O-CB 3.32Å; A203-A243 HydrophobicContact CB-CB 3.99Å
204	C	91.8	Very high	90.5	Very high	64 Å²	64	34.5 Å²	34.5	43%	0.432	18%	0.181	S	C	.	.	H	α-helix	trans	-59.9	-46.4	173.9	-68.7	0	0	0	0	111.1	V200 I208	V200-C204 WeakPolarHBondContact O-CB 3.4Å; V200-C204 PolarHBondContact O-N 3.43Å; V200-C204 PolarHBondContact O-SG 2.92Å; C204-I208 HydrophobicContact CB-CD1 4.47Å; C204-I208 VanDerWaalsContact O-CB 3.28Å; C204-I208 WeakPolarHBondContact O-CB 3.47Å; C204-I208 WeakPolarHBondContact O-CD1 3.45Å; C204-I208 WeakPolarHBondContact O-CG1 3Å; C204-I208 PolarHBondContact O-N 3.3Å
205	T	91.1	Very high	90.4	Very high	5 Å²	5	40 Å²	40	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-48.7	-180	-55	0	0	0	0	111.6	F201 Y202 A203 N209 L521 F525	F201-T205 WeakPolarHBondContact O-CB 3.29Å; F201-T205 PolarHBondContact O-N 3.4Å; F201-T205 PolarHBondContact O-OG1 3.45Å; Y202-T205 PolarHBondContact O-N 2.89Å; A203-T205 PolarHBondContact O-N 2.96Å; T205-N209 WeakPolarHBondContact O-CB 3.29Å; T205-N209 PolarHBondContact O-N 2.69Å; T205-N209 PolarHBondContact O-ND2 3.03Å; T205-L521 HydrophobicContact CG2-CD1 4.32Å; T205-L521 HydrophobicContact CG2-CD2 4.19Å; T205-L521 HydrophobicContact CG2-CG 4.13Å; T205-F525 HydrophobicContact CG2-CB 3.9Å; T205-F525 HydrophobicContact CG2-CD1 3.83Å; T205-F525 HydrophobicContact CG2-CG 3.89Å
206	V	91.5	Very high	89.9	Confident	52 Å²	52	40.2 Å²	40.2	32%	0.315	21%	0.205	S	C	.	.	H	α-helix	trans	-69.5	-42.8	-179.9	172.7	0	0	0	0	111.7	Y202 N209 L210 C242	Y202-V206 WeakPolarHBondContact O-CG2 3.45Å; Y202-V206 PolarHBondContact O-N 3.33Å; V206-N209 PolarHBondContact O-N 2.59Å; V206-L210 VanDerWaalsContact O-CB 3.31Å; V206-L210 WeakPolarHBondContact O-CB 3.23Å; V206-L210 PolarHBondContact O-N 3.15Å; V206-C242 HydrophobicContact CG1-CB 4.48Å
207	G	93.1	Very high	89.2	Confident	10 Å²	10	33 Å²	33	10%	0.103	18%	0.18	C	C	.	.	H	α-helix	trans	-64.5	-42.5	-179.1	0	0	0	0	0	113.4	A203 F211	A203-G207 WeakPolarHBondContact O-CA 3.43Å; A203-G207 PolarHBondContact O-N 2.92Å; G207-F211 WeakPolarHBondContact O-CB 3.41Å; G207-F211 PolarHBondContact O-N 3.19Å
208	I	92	Very high	88.2	Confident	59 Å²	59	32.3 Å²	32.3	30%	0.303	17%	0.174	S	C	.	.	H	α-helix	trans	-68	-42.4	178.7	-68	166.9	0	0	0	110.9	C204 S212 L608 V611	C204-I208 HydrophobicContact CB-CD1 4.47Å; C204-I208 VanDerWaalsContact O-CB 3.28Å; C204-I208 WeakPolarHBondContact O-CB 3.47Å; C204-I208 WeakPolarHBondContact O-CD1 3.45Å; C204-I208 WeakPolarHBondContact O-CG1 3Å; C204-I208 PolarHBondContact O-N 3.3Å; I208-S212 VanDerWaalsContact O-CB 3.23Å; I208-S212 WeakPolarHBondContact O-CB 3.43Å; I208-S212 PolarHBondContact O-N 3Å; I208-L608 HydrophobicContact CD1-CD1 3.88Å; I208-L608 HydrophobicContact CG2-CD1 3.85Å; I208-V611 HydrophobicContact CG2-CG1 4.48Å
209	N	91.9	Very high	87.1	Confident	20 Å²	20	34.7 Å²	34.7	11%	0.107	19%	0.189	C	C	.	.	H	α-helix	trans	-64.1	-46.8	175.4	-77.2	-57.5	0	0	0	111.9	T205 V206 F211 S212 I213 F525 F528	T205-N209 WeakPolarHBondContact O-CB 3.29Å; T205-N209 PolarHBondContact O-N 2.69Å; T205-N209 PolarHBondContact O-ND2 3.03Å; V206-N209 PolarHBondContact O-N 2.59Å; N209-F211 PolarHBondContact O-N 3.4Å; N209-S212 WeakPolarHBondContact O-CB 3.23Å; N209-S212 PolarHBondContact O-N 3.37Å; N209-I213 WeakPolarHBondContact O-CD1 3.32Å; N209-I213 WeakPolarHBondContact O-CG1 3.05Å; N209-I213 PolarHBondContact O-N 3.34Å; N209-F525 WeakPolarHBondContact ND2-CD2 3.27Å; N209-F525 VanDerWaalsContact ND2-CE2 3.3Å; N209-F525 WeakPolarHBondContact ND2-CE2 3.35Å; N209-F525 VanDerWaalsContact OD1-CD2 3.29Å; N209-F525 WeakPolarHBondContact OD1-CD2 3.46Å; N209-F525 WeakPolarHBondContact OD1-CE2 3.18Å; N209-F528 HydrophobicContact CB-CE1 4.26Å; N209-F528 WeakPolarHBondContact OD1-CD1 3.34Å; N209-F528 WeakPolarHBondContact OD1-CE1 3.36Å
210	L	91.2	Very high	85.5	Confident	43 Å²	43	41.4 Å²	41.4	23%	0.225	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-40	179.3	-176.7	57.6	0	0	0	112.1	V206 I213 M214 C238	V206-L210 VanDerWaalsContact O-CB 3.31Å; V206-L210 WeakPolarHBondContact O-CB 3.23Å; V206-L210 PolarHBondContact O-N 3.15Å; L210-I213 PolarHBondContact O-N 2.72Å; L210-M214 HydrophobicContact CD1-CG 4.01Å; L210-M214 HydrophobicContact CD1-SD 3.82Å; L210-M214 HydrophobicContact CG-CG 4.48Å; L210-M214 HydrophobicContact CG-SD 3.92Å; L210-M214 WeakPolarHBondContact O-CB 3.38Å; L210-M214 VanDerWaalsContact O-CG 3.28Å; L210-M214 WeakPolarHBondContact O-CG 3.37Å; L210-M214 PolarHBondContact O-N 2.85Å; L210-C238 HydrophobicContact CD2-CB 3.44Å; L210-C238 VanDerWaalsContact CD2-CB 3.44Å
211	F	91.4	Very high	84.3	Confident	62 Å²	62	40.7 Å²	40.7	27%	0.272	22%	0.217	S	C	.	.	H	α-helix	trans	-58.7	-47.8	171.5	176.1	-96.9	0	0	0	111.5	G207 N209 I213 M214 Y215 T231 I232	G207-F211 WeakPolarHBondContact O-CB 3.41Å; G207-F211 PolarHBondContact O-N 3.19Å; N209-F211 PolarHBondContact O-N 3.4Å; F211-I213 PolarHBondContact O-N 2.87Å; F211-M214 PolarHBondContact O-N 3.5Å; F211-Y215 HydrophobicContact CE1-CD1 4.27Å; F211-Y215 HydrophobicContact CE1-CG 4.26Å; F211-Y215 HydrophobicContact CZ-CD1 4.36Å; F211-Y215 HydrophobicContact CZ-CD2 4.37Å; F211-Y215 HydrophobicContact CZ-CG 4.02Å; F211-Y215 WeakPolarHBondContact O-CB 3.02Å; F211-Y215 PolarHBondContact O-N 3.03Å; F211-T231 HydrophobicContact CD2-CG2 3.91Å; F211-T231 HydrophobicContact CE2-CG2 4.15Å; F211-I232 HydrophobicContact CD2-CG1 4.2Å; F211-I232 HydrophobicContact CE2-CG1 3.78Å
212	S	89.7	Confident	83	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57.3	-48.3	177.7	167.9	0	0	0	0	112.6	L77 I208 N209 M214 T216 G217 V611 N615	L77-S212 WeakPolarHBondContact CD1-OG 3.37Å; L77-S212 WeakPolarHBondContact CD2-OG 3.41Å; I208-S212 VanDerWaalsContact O-CB 3.23Å; I208-S212 WeakPolarHBondContact O-CB 3.43Å; I208-S212 PolarHBondContact O-N 3Å; N209-S212 WeakPolarHBondContact O-CB 3.23Å; N209-S212 PolarHBondContact O-N 3.37Å; S212-M214 PolarHBondContact O-N 3.11Å; S212-T216 PolarHBondContact O-N 3.36Å; S212-T216 PolarHBondContact O-OG1 3.31Å; S212-G217 PolarHBondContact O-N 3.37Å; S212-V611 WeakPolarHBondContact OG-CG1 3.28Å; S212-N615 WeakPolarHBondContact CB-ND2 3.29Å; S212-N615 WeakPolarHBondContact CB-OD1 3.35Å; S212-N615 PolarHBondContact OG-ND2 2.93Å; S212-N615 PolarHBondContact OG-OD1 3.31Å
213	I	89.5	Confident	81.9	Confident	26 Å²	26	42.2 Å²	42.2	13%	0.133	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-40.8	177.8	-63.9	158.3	0	0	0	111.3	L76 L77 N209 L210 F211 G217 L221 F528	L76-I213 HydrophobicContact CB-CG1 4.18Å; L76-I213 HydrophobicContact CB-CG2 4.36Å; L76-I213 HydrophobicContact CD1-CD1 3.91Å; L76-I213 HydrophobicContact CD1-CG1 4.31Å; L76-I213 HydrophobicContact CD1-CG2 4.44Å; L77-I213 HydrophobicContact CD2-CG1 4.09Å; N209-I213 WeakPolarHBondContact O-CD1 3.32Å; N209-I213 WeakPolarHBondContact O-CG1 3.05Å; N209-I213 PolarHBondContact O-N 3.34Å; L210-I213 PolarHBondContact O-N 2.72Å; F211-I213 PolarHBondContact O-N 2.87Å; I213-G217 VanDerWaalsContact O-CA 3.28Å; I213-G217 WeakPolarHBondContact O-CA 3.44Å; I213-G217 PolarHBondContact O-N 2.93Å; I213-G217 VanDerWaalsContact O-N 3.14Å; I213-L221 HydrophobicContact CG2-CD1 3.96Å; I213-F528 HydrophobicContact CD1-CE2 4.29Å; I213-F528 HydrophobicContact CD1-CZ 3.73Å; I213-F528 HydrophobicContact CG1-CZ 3.79Å
214	M	86.9	Confident	80.6	Confident	9 Å²	9	46.2 Å²	46.2	4%	0.044	25%	0.253	C	S	.	.	H	α-helix	trans	-82.4	-21.9	-177.2	-70.6	-178.2	68.5	0	0	114.5	L210 F211 S212 F223 L226 T231 I234	L210-M214 HydrophobicContact CD1-CG 4.01Å; L210-M214 HydrophobicContact CD1-SD 3.82Å; L210-M214 HydrophobicContact CG-CG 4.48Å; L210-M214 HydrophobicContact CG-SD 3.92Å; L210-M214 WeakPolarHBondContact O-CB 3.38Å; L210-M214 VanDerWaalsContact O-CG 3.28Å; L210-M214 WeakPolarHBondContact O-CG 3.37Å; L210-M214 PolarHBondContact O-N 2.85Å; F211-M214 PolarHBondContact O-N 3.5Å; S212-M214 PolarHBondContact O-N 3.11Å; M214-F223 HydrophobicContact CB-CB 4.47Å; M214-F223 HydrophobicContact CB-CD2 4.37Å; M214-F223 HydrophobicContact CB-CG 4.46Å; M214-F223 HydrophobicContact CE-CD1 4.39Å; M214-F223 HydrophobicContact CG-CD2 3.94Å; M214-F223 HydrophobicContact CG-CE2 4.12Å; M214-F223 HydrophobicContact CG-CG 4.22Å; M214-F223 WeakPolarHBondContact O-CB 3.4Å; M214-L226 HydrophobicContact CE-CD1 3.57Å; M214-T231 HydrophobicContact CB-CG2 3.55Å; M214-I234 HydrophobicContact CE-CB 3.96Å; M214-I234 HydrophobicContact CE-CD1 3.81Å; M214-I234 HydrophobicContact CE-CG2 3.81Å; M214-I234 HydrophobicContact SD-CB 4.25Å; M214-I234 HydrophobicContact SD-CG2 3.71Å
215	Y	84.1	Confident	79.6	Confident	115 Å²	115	52.1 Å²	52.1	45%	0.451	27%	0.271	S	S	.	.	H	α-helix	trans	-90.8	-38.6	180	176.7	-113.1	0	0	0	112.3	F211 L228	F211-Y215 HydrophobicContact CE1-CD1 4.27Å; F211-Y215 HydrophobicContact CE1-CG 4.26Å; F211-Y215 HydrophobicContact CZ-CD1 4.36Å; F211-Y215 HydrophobicContact CZ-CD2 4.37Å; F211-Y215 HydrophobicContact CZ-CG 4.02Å; F211-Y215 WeakPolarHBondContact O-CB 3.02Å; F211-Y215 PolarHBondContact O-N 3.03Å; Y215-L228 HydrophobicContact CD2-CD2 3.74Å; Y215-L228 HydrophobicContact CE2-CD2 3.57Å
216	T	77.6	Confident	79	Confident	22 Å²	22	55.1 Å²	55.1	14%	0.135	29%	0.286	C	S	.	.	H	α-helix	trans	-144.6	13.1	-167.1	31.2	0	0	0	0	114	S212 N615	S212-T216 PolarHBondContact O-N 3.36Å; S212-T216 PolarHBondContact O-OG1 3.31Å; T216-N615 VanDerWaalsContact CG2-O 3.27Å; T216-N615 WeakPolarHBondContact CG2-O 3.34Å; T216-N615 WeakPolarHBondContact OG1-CB 3.31Å; T216-N615 VanDerWaalsContact OG1-CG 3.22Å; T216-N615 PolarHBondContact OG1-OD1 3.35Å
217	G	72.4	Confident	78.8	Confident	7 Å²	7	56.8 Å²	56.8	7%	0.072	30%	0.298	C	S	.	.	S	Bend	trans	-76.6	-165.2	178.2	0	0	0	0	0	114.7	L76 S212 I213 P219	L76-G217 CarbonylContact O-C 3.55Å; L76-G217 WeakPolarHBondContact O-CA 3.49Å; S212-G217 PolarHBondContact O-N 3.37Å; I213-G217 VanDerWaalsContact O-CA 3.28Å; I213-G217 WeakPolarHBondContact O-CA 3.44Å; I213-G217 PolarHBondContact O-N 2.93Å; I213-G217 VanDerWaalsContact O-N 3.14Å; G217-P219 WeakPolarHBondContact O-CD 3.18Å
218	A	69.4	Low	78.5	Confident	3 Å²	3	61 Å²	61	3%	0.025	32%	0.318	C	S	.	.			trans	-63.2	121.3	-174.4	0	0	0	0	0	113	V75 L76 L220 L221 I562	V75-A218 WeakPolarHBondContact O-CB 3.41Å; L76-A218 PolarHBondContact O-N 2.88Å; A218-L220 PolarHBondContact O-N 3.15Å; A218-L221 HydrophobicContact CB-CD1 4.38Å; A218-L221 WeakPolarHBondContact O-CB 3.34Å; A218-L221 WeakPolarHBondContact O-CG 3.23Å; A218-L221 PolarHBondContact O-N 3.45Å; A218-I562 HydrophobicContact CB-CD1 3.78Å; A218-I562 HydrophobicContact CB-CG1 4.2Å
219	P	64.8	Low	78.3	Confident	50 Å²	50	68.4 Å²	68.4	33%	0.325	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-57	-23.4	-173.2	-31.3	37.5	0	0	0	116.2	G217 L221 G222 D224 A559	G217-P219 WeakPolarHBondContact O-CD 3.18Å; P219-L221 PolarHBondContact O-N 2.87Å; P219-G222 PolarHBondContact O-N 2.91Å; P219-D224 WeakPolarHBondContact CA-OD2 3.17Å; P219-D224 WeakPolarHBondContact CB-OD2 3.42Å; P219-A559 HydrophobicContact CG-CB 4.35Å
220	L	58.9	Low	78.2	Confident	150 Å²	150	68.4 Å²	68.4	79%	0.785	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-63.4	-20.3	176.7	-155	78.5	0	0	0	112.9	A218 G222 I562	A218-L220 PolarHBondContact O-N 3.15Å; L220-G222 PolarHBondContact O-N 3.46Å; L220-I562 HydrophobicContact CB-CD1 3.49Å; L220-I562 VanDerWaalsContact CB-CD1 3.49Å; L220-I562 HydrophobicContact CB-CG1 4.45Å; L220-I562 HydrophobicContact CD2-CD1 3.89Å; L220-I562 HydrophobicContact CG-CD1 4.33Å
221	L	65.9	Low	78	Confident	69 Å²	69	66.4 Å²	66.4	36%	0.361	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-68.9	-18	173.9	-62	169.9	0	0	0	112.4	L76 I213 A218 P219 F223	L76-L221 HydrophobicContact CD2-CD1 4.02Å; I213-L221 HydrophobicContact CG2-CD1 3.96Å; A218-L221 HydrophobicContact CB-CD1 4.38Å; A218-L221 WeakPolarHBondContact O-CB 3.34Å; A218-L221 WeakPolarHBondContact O-CG 3.23Å; A218-L221 PolarHBondContact O-N 3.45Å; P219-L221 PolarHBondContact O-N 2.87Å; L221-F223 HydrophobicContact CB-CD2 3.6Å; L221-F223 HydrophobicContact CB-CE2 3.79Å; L221-F223 HydrophobicContact CB-CG 4.29Å; L221-F223 HydrophobicContact CD1-CD2 4.1Å; L221-F223 HydrophobicContact CD1-CE2 4.08Å; L221-F223 HydrophobicContact CD2-CE2 4.49Å; L221-F223 HydrophobicContact CG-CD2 4.42Å; L221-F223 HydrophobicContact CG-CE2 4.34Å; L221-F223 PolarHBondContact O-N 3.42Å
222	G	64.3	Low	78	Confident	33 Å²	33	66.9 Å²	66.9	34%	0.34	34%	0.341	S	S	.	.			trans	71.1	4.2	177.3	0	0	0	0	0	115.4	P219 L220 D224 K225	P219-G222 PolarHBondContact O-N 2.91Å; L220-G222 PolarHBondContact O-N 3.46Å; G222-D224 PolarHBondContact O-N 3.38Å; G222-K225 PolarHBondContact O-N 3.1Å
223	F	69.5	Low	78.2	Confident	72 Å²	72	73.1 Å²	73.1	32%	0.316	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-65.4	-19	179.2	-62	-44.8	0	0	0	113.4	M214 L221 K225 L226	M214-F223 HydrophobicContact CB-CB 4.47Å; M214-F223 HydrophobicContact CB-CD2 4.37Å; M214-F223 HydrophobicContact CB-CG 4.46Å; M214-F223 HydrophobicContact CE-CD1 4.39Å; M214-F223 HydrophobicContact CG-CD2 3.94Å; M214-F223 HydrophobicContact CG-CE2 4.12Å; M214-F223 HydrophobicContact CG-CG 4.22Å; M214-F223 WeakPolarHBondContact O-CB 3.4Å; L221-F223 HydrophobicContact CB-CD2 3.6Å; L221-F223 HydrophobicContact CB-CE2 3.79Å; L221-F223 HydrophobicContact CB-CG 4.29Å; L221-F223 HydrophobicContact CD1-CD2 4.1Å; L221-F223 HydrophobicContact CD1-CE2 4.08Å; L221-F223 HydrophobicContact CD2-CE2 4.49Å; L221-F223 HydrophobicContact CG-CD2 4.42Å; L221-F223 HydrophobicContact CG-CE2 4.34Å; L221-F223 PolarHBondContact O-N 3.42Å; F223-K225 PolarHBondContact O-N 2.83Å; F223-L226 HydrophobicContact CB-CD1 4.4Å; F223-L226 HydrophobicContact CD1-CD1 3.77Å; F223-L226 HydrophobicContact CG-CD1 4.47Å; F223-L226 WeakPolarHBondContact O-CB 3.12Å; F223-L226 PolarHBondContact O-N 3.22Å
224	D	64.9	Low	78.3	Confident	100 Å²	100	75.4 Å²	75.4	54%	0.535	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-50.4	-20.5	170.2	-44.5	-22	0	0	0	113.9	P219 G222	P219-D224 WeakPolarHBondContact CA-OD2 3.17Å; P219-D224 WeakPolarHBondContact CB-OD2 3.42Å; G222-D224 PolarHBondContact O-N 3.38Å
225	K	71.4	Confident	78.6	Confident	188 Å²	188	75.3 Å²	75.3	82%	0.817	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-90.6	-6.1	179.1	-60.4	179.3	-177.4	176.1	0	113.8	G222 F223	G222-K225 PolarHBondContact O-N 3.1Å; F223-K225 PolarHBondContact O-N 2.83Å
226	L	79.6	Confident	79.1	Confident	67 Å²	67	73.6 Å²	73.6	35%	0.351	39%	0.387	S	S	.	.	S	Bend	trans	-84.9	135	178.5	-65.1	178.3	0	0	0	110.8	M214 F223 I234	M214-L226 HydrophobicContact CE-CD1 3.57Å; F223-L226 HydrophobicContact CB-CD1 4.4Å; F223-L226 HydrophobicContact CD1-CD1 3.77Å; F223-L226 HydrophobicContact CG-CD1 4.47Å; F223-L226 WeakPolarHBondContact O-CB 3.12Å; F223-L226 PolarHBondContact O-N 3.22Å; L226-I234 HydrophobicContact CD1-CD1 4.43Å
227	P	87	Confident	80	Confident	87 Å²	87	74.5 Å²	74.5	57%	0.565	40%	0.401	S	S	*	.			trans	-66.7	146.6	171.8	29.4	-34.4	0	0	0	110.1	W229 G230 T231	P227-W229 PolarHBondContact O-N 3.4Å; P227-W229 VanDerWaalsContact O-N 3.07Å; P227-G230 WeakPolarHBondContact O-CA 3.18Å; P227-G230 PolarHBondContact O-N 2.91Å; P227-T231 PolarHBondContact O-N 3.48Å
228	L	85.8	Confident	81	Confident	99 Å²	99	76.7 Å²	76.7	52%	0.518	42%	0.415	S	S	.	.	H	α-helix	trans	-51.3	-39.6	-175.5	-55.1	-176.6	0	0	0	113.2	Y215 G230 T231 I232	Y215-L228 HydrophobicContact CD2-CD2 3.74Å; Y215-L228 HydrophobicContact CE2-CD2 3.57Å; L228-G230 VanDerWaalsContact C-N 3.31Å; L228-G230 PolarHBondContact O-N 3.42Å; L228-T231 PolarHBondContact O-N 3.15Å; L228-I232 VanDerWaalsContact O-CG1 3.3Å; L228-I232 WeakPolarHBondContact O-CG1 3.18Å; L228-I232 PolarHBondContact O-N 3.25Å
229	W	88.6	Confident	82.2	Confident	214 Å²	214	77 Å²	77	81%	0.811	42%	0.418	S	S	*	.	H	α-helix	trans	-60.4	-36.5	175.7	-57.1	115.2	0	0	0	113.3	P227 L233	P227-W229 PolarHBondContact O-N 3.4Å; P227-W229 VanDerWaalsContact O-N 3.07Å; W229-L233 VanDerWaalsContact O-CB 3.22Å; W229-L233 WeakPolarHBondContact O-CB 3.25Å; W229-L233 PolarHBondContact O-N 2.67Å
230	G	88.5	Confident	83.7	Confident	20 Å²	20	78.5 Å²	78.5	21%	0.206	43%	0.425	C	S	.	.	H	α-helix	trans	-69.5	-43.8	174.4	0	0	0	0	0	111.9	P227 L228 I232 L233 I234	P227-G230 WeakPolarHBondContact O-CA 3.18Å; P227-G230 PolarHBondContact O-N 2.91Å; L228-G230 VanDerWaalsContact C-N 3.31Å; L228-G230 PolarHBondContact O-N 3.42Å; G230-I232 PolarHBondContact O-N 3.34Å; G230-L233 PolarHBondContact O-N 3.42Å; G230-I234 WeakPolarHBondContact O-CB 3.38Å; G230-I234 VanDerWaalsContact O-CG1 3.29Å; G230-I234 WeakPolarHBondContact O-CG1 3.43Å; G230-I234 PolarHBondContact O-N 2.91Å
231	T	88.8	Confident	85.4	Confident	2 Å²	2	77.7 Å²	77.7	1%	0.012	42%	0.416	C	S	.	.	H	α-helix	trans	-61.8	-41.2	175.4	-65.3	0	0	0	0	112.2	F211 M214 P227 L228 S235	F211-T231 HydrophobicContact CD2-CG2 3.91Å; F211-T231 HydrophobicContact CE2-CG2 4.15Å; M214-T231 HydrophobicContact CB-CG2 3.55Å; P227-T231 PolarHBondContact O-N 3.48Å; L228-T231 PolarHBondContact O-N 3.15Å; T231-S235 WeakPolarHBondContact O-CB 3.2Å; T231-S235 PolarHBondContact O-N 3.21Å; T231-S235 PolarHBondContact O-OG 3.1Å
232	I	90.9	Very high	86.8	Confident	71 Å²	71	75.6 Å²	75.6	36%	0.364	41%	0.407	S	S	.	.	H	α-helix	trans	-66.1	-44.7	173.4	-66.7	165.3	0	0	0	111.1	F211 L228 G230 I234 S235 V236	F211-I232 HydrophobicContact CD2-CG1 4.2Å; F211-I232 HydrophobicContact CE2-CG1 3.78Å; L228-I232 VanDerWaalsContact O-CG1 3.3Å; L228-I232 WeakPolarHBondContact O-CG1 3.18Å; L228-I232 PolarHBondContact O-N 3.25Å; G230-I232 PolarHBondContact O-N 3.34Å; I232-I234 PolarHBondContact O-N 3.37Å; I232-S235 PolarHBondContact O-N 3.23Å; I232-S235 PolarHBondContact O-OG 3.16Å; I232-V236 HydrophobicContact CG2-CG2 4.21Å; I232-V236 VanDerWaalsContact O-CB 3.29Å; I232-V236 WeakPolarHBondContact O-CB 3.47Å; I232-V236 VanDerWaalsContact O-CG2 3.25Å; I232-V236 WeakPolarHBondContact O-CG2 3.48Å; I232-V236 PolarHBondContact O-N 3.35Å
233	L	93.4	Very high	88.2	Confident	131 Å²	131	75.1 Å²	75.1	69%	0.686	40%	0.399	S	S	*	.	H	α-helix	trans	-63.2	-41.1	-179.6	-178	62.9	0	0	0	112.1	W229 G230 G237	W229-L233 VanDerWaalsContact O-CB 3.22Å; W229-L233 WeakPolarHBondContact O-CB 3.25Å; W229-L233 PolarHBondContact O-N 2.67Å; G230-L233 PolarHBondContact O-N 3.42Å; L233-G237 PolarHBondContact O-N 3.34Å
234	I	92.1	Very high	89.4	Confident	75 Å²	75	75.9 Å²	75.9	39%	0.385	41%	0.406	S	S	.	.	H	α-helix	trans	-70	-46.3	177.9	-67.3	164.3	0	0	0	110.6	M214 L226 G230 I232 V236 G237 C238	M214-I234 HydrophobicContact CE-CB 3.96Å; M214-I234 HydrophobicContact CE-CD1 3.81Å; M214-I234 HydrophobicContact CE-CG2 3.81Å; M214-I234 HydrophobicContact SD-CB 4.25Å; M214-I234 HydrophobicContact SD-CG2 3.71Å; L226-I234 HydrophobicContact CD1-CD1 4.43Å; G230-I234 WeakPolarHBondContact O-CB 3.38Å; G230-I234 VanDerWaalsContact O-CG1 3.29Å; G230-I234 WeakPolarHBondContact O-CG1 3.43Å; G230-I234 PolarHBondContact O-N 2.91Å; I232-I234 PolarHBondContact O-N 3.37Å; I234-V236 PolarHBondContact O-N 3.18Å; I234-G237 PolarHBondContact O-N 3.43Å; I234-C238 WeakPolarHBondContact O-CB 3.3Å; I234-C238 PolarHBondContact O-N 3.46Å; I234-C238 PolarHBondContact O-SG 3.07Å
235	S	93.6	Very high	90.8	Very high	7 Å²	7	74.4 Å²	74.4	5%	0.049	40%	0.398	C	S	.	.	H	α-helix	trans	-64.9	-41.3	-179.6	71.4	0	0	0	0	112.5	T231 I232 A239	T231-S235 WeakPolarHBondContact O-CB 3.2Å; T231-S235 PolarHBondContact O-N 3.21Å; T231-S235 PolarHBondContact O-OG 3.1Å; I232-S235 PolarHBondContact O-N 3.23Å; I232-S235 PolarHBondContact O-OG 3.16Å; S235-A239 VanDerWaalsContact O-CB 3.25Å; S235-A239 WeakPolarHBondContact O-CB 3.34Å; S235-A239 PolarHBondContact O-N 3.39Å
236	V	94.3	Very high	91.9	Very high	78 Å²	78	65.7 Å²	65.7	47%	0.473	36%	0.36	S	S	.	.	H	α-helix	trans	-68	-41.3	173.9	173.7	0	0	0	0	111.3	I232 I234 A239 V240	I232-V236 HydrophobicContact CG2-CG2 4.21Å; I232-V236 VanDerWaalsContact O-CB 3.29Å; I232-V236 WeakPolarHBondContact O-CB 3.47Å; I232-V236 VanDerWaalsContact O-CG2 3.25Å; I232-V236 WeakPolarHBondContact O-CG2 3.48Å; I232-V236 PolarHBondContact O-N 3.35Å; I234-V236 PolarHBondContact O-N 3.18Å; V236-A239 WeakPolarHBondContact O-CB 3.39Å; V236-A239 PolarHBondContact O-N 2.86Å; V236-V240 HydrophobicContact CG1-CG2 4.33Å; V236-V240 WeakPolarHBondContact O-CG2 3.3Å; V236-V240 PolarHBondContact O-N 2.96Å
237	G	95.1	Very high	92.6	Very high	41 Å²	41	68.5 Å²	68.5	42%	0.423	37%	0.366	S	S	.	.	H	α-helix	trans	-59.4	-47.7	176.3	0	0	0	0	0	112.5	L233 I234 V240 F241	L233-G237 PolarHBondContact O-N 3.34Å; I234-G237 PolarHBondContact O-N 3.43Å; G237-V240 PolarHBondContact O-N 3.06Å; G237-F241 WeakPolarHBondContact O-CB 3.29Å; G237-F241 PolarHBondContact O-N 3.43Å
238	C	94.7	Very high	92.9	Very high	54 Å²	54	70.7 Å²	70.7	37%	0.365	37%	0.367	S	S	.	.	H	α-helix	trans	-66.9	-35.7	174.9	-70.3	0	0	0	0	112.9	L210 I234 F241 C242	L210-C238 HydrophobicContact CD2-CB 3.44Å; L210-C238 VanDerWaalsContact CD2-CB 3.44Å; I234-C238 WeakPolarHBondContact O-CB 3.3Å; I234-C238 PolarHBondContact O-N 3.46Å; I234-C238 PolarHBondContact O-SG 3.07Å; C238-F241 PolarHBondContact O-N 2.87Å; C238-C242 WeakPolarHBondContact O-CB 3.09Å; C238-C242 PolarHBondContact O-N 3.37Å
239	A	95.2	Very high	93.2	Very high	10 Å²	10	73.1 Å²	73.1	8%	0.083	37%	0.373	C	S	.	.	H	α-helix	trans	-63.3	-45.6	173.9	0	0	0	0	0	112.1	A203 S235 V236 C242 A243	A203-A239 HydrophobicContact CB-CB 4.13Å; A203-A239 VanDerWaalsContact CB-O 3.26Å; A203-A239 WeakPolarHBondContact CB-O 3.04Å; A203-A239 WeakPolarHBondContact O-CB 3.32Å; S235-A239 VanDerWaalsContact O-CB 3.25Å; S235-A239 WeakPolarHBondContact O-CB 3.34Å; S235-A239 PolarHBondContact O-N 3.39Å; V236-A239 WeakPolarHBondContact O-CB 3.39Å; V236-A239 PolarHBondContact O-N 2.86Å; A239-C242 WeakPolarHBondContact O-CB 3.26Å; A239-C242 PolarHBondContact O-N 3.42Å; A239-A243 PolarHBondContact O-N 2.83Å
240	V	95.4	Very high	93.2	Very high	80 Å²	80	65 Å²	65	49%	0.485	35%	0.347	S	S	.	.	H	α-helix	trans	-64.9	-42.4	175.7	171.3	0	0	0	0	111	V236 G237 C242 A243 L244	V236-V240 HydrophobicContact CG1-CG2 4.33Å; V236-V240 WeakPolarHBondContact O-CG2 3.3Å; V236-V240 PolarHBondContact O-N 2.96Å; G237-V240 PolarHBondContact O-N 3.06Å; V240-C242 VanDerWaalsContact C-N 3.31Å; V240-C242 PolarHBondContact O-N 3.46Å; V240-A243 WeakPolarHBondContact O-CB 3.22Å; V240-A243 PolarHBondContact O-N 3.47Å; V240-L244 HydrophobicContact CG1-CD1 4.36Å; V240-L244 WeakPolarHBondContact O-CG 3.04Å; V240-L244 PolarHBondContact O-N 2.82Å
241	F	95.6	Very high	93.3	Very high	134 Å²	134	64.7 Å²	64.7	59%	0.588	34%	0.342	S	S	*	.	H	α-helix	trans	-60.2	-41.1	174	-177.4	-112.6	0	0	0	112	G237 C238 L244 I245	G237-F241 WeakPolarHBondContact O-CB 3.29Å; G237-F241 PolarHBondContact O-N 3.43Å; C238-F241 PolarHBondContact O-N 2.87Å; F241-L244 PolarHBondContact O-N 2.88Å; F241-I245 HydrophobicContact CD1-CD1 3.93Å; F241-I245 HydrophobicContact CE1-CD1 3.52Å; F241-I245 HydrophobicContact CE2-CD1 4.38Å; F241-I245 HydrophobicContact CZ-CD1 3.77Å; F241-I245 WeakPolarHBondContact O-CG1 3.43Å; F241-I245 PolarHBondContact O-N 3.28Å
242	C	94.3	Very high	93.3	Very high	25 Å²	25	67.1 Å²	67.1	17%	0.169	36%	0.358	C	S	.	.	H	α-helix	trans	-63.5	-44.4	173	-171	0	0	0	0	112.1	V206 C238 A239 V240 L244 I245 V246	V206-C242 HydrophobicContact CG1-CB 4.48Å; C238-C242 WeakPolarHBondContact O-CB 3.09Å; C238-C242 PolarHBondContact O-N 3.37Å; A239-C242 WeakPolarHBondContact O-CB 3.26Å; A239-C242 PolarHBondContact O-N 3.42Å; V240-C242 VanDerWaalsContact C-N 3.31Å; V240-C242 PolarHBondContact O-N 3.46Å; C242-L244 VanDerWaalsContact C-N 3.31Å; C242-L244 PolarHBondContact O-N 2.94Å; C242-I245 PolarHBondContact O-N 2.93Å; C242-V246 WeakPolarHBondContact O-CB 3.23Å; C242-V246 WeakPolarHBondContact O-CG2 3.23Å; C242-V246 PolarHBondContact O-N 3.29Å
243	A	94.4	Very high	93.2	Very high	22 Å²	22	73.2 Å²	73.2	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-56.3	-43.3	173.7	0	0	0	0	0	112.2	P199 A203 A239 V240 V246 W247	P199-A243 HydrophobicContact CB-CB 3.96Å; P199-A243 WeakPolarHBondContact CB-O 3.36Å; A203-A243 HydrophobicContact CB-CB 3.99Å; A239-A243 PolarHBondContact O-N 2.83Å; V240-A243 WeakPolarHBondContact O-CB 3.22Å; V240-A243 PolarHBondContact O-N 3.47Å; A243-V246 PolarHBondContact O-N 3.44Å; A243-W247 VanDerWaalsContact O-CB 3.25Å; A243-W247 WeakPolarHBondContact O-CB 3.23Å; A243-W247 PolarHBondContact O-N 2.62Å
244	L	94.9	Very high	92.8	Very high	88 Å²	88	67.3 Å²	67.3	46%	0.461	35%	0.345	S	S	.	.	H	α-helix	trans	-64.3	-44.5	177.9	-67.3	171.5	0	0	0	111.5	V240 F241 C242 V246 W247 F248	V240-L244 HydrophobicContact CG1-CD1 4.36Å; V240-L244 WeakPolarHBondContact O-CG 3.04Å; V240-L244 PolarHBondContact O-N 2.82Å; F241-L244 PolarHBondContact O-N 2.88Å; C242-L244 VanDerWaalsContact C-N 3.31Å; C242-L244 PolarHBondContact O-N 2.94Å; L244-V246 VanDerWaalsContact C-N 3.35Å; L244-V246 PolarHBondContact O-N 2.88Å; L244-W247 PolarHBondContact O-N 3.41Å; L244-F248 HydrophobicContact CB-CD2 4.49Å; L244-F248 HydrophobicContact CD2-CE2 4.16Å; L244-F248 WeakPolarHBondContact O-CB 2.98Å; L244-F248 VanDerWaalsContact O-CD2 3.22Å; L244-F248 WeakPolarHBondContact O-CD2 3.34Å; L244-F248 PolarHBondContact O-N 3.38Å
245	I	94.4	Very high	92.6	Very high	70 Å²	70	68.9 Å²	68.9	36%	0.359	35%	0.349	S	S	.	.	H	α-helix	trans	-60.3	-45.1	174.9	-70.2	170.5	0	0	0	111	F241 C242 F249	F241-I245 HydrophobicContact CD1-CD1 3.93Å; F241-I245 HydrophobicContact CE1-CD1 3.52Å; F241-I245 HydrophobicContact CE2-CD1 4.38Å; F241-I245 HydrophobicContact CZ-CD1 3.77Å; F241-I245 WeakPolarHBondContact O-CG1 3.43Å; F241-I245 PolarHBondContact O-N 3.28Å; C242-I245 PolarHBondContact O-N 2.93Å; I245-F249 HydrophobicContact CG2-CD2 4.24Å; I245-F249 WeakPolarHBondContact O-CB 3.35Å; I245-F249 PolarHBondContact O-N 3.37Å
246	V	93.4	Very high	92.2	Very high	4 Å²	4	76.2 Å²	76.2	2%	0.024	38%	0.376	C	S	.	.	I	π-helix	trans	-65.4	-43.5	179.2	171.8	0	0	0	0	110.7	L198 P199 Y202 C242 A243 L244 V250 C251	L198-V246 HydrophobicContact CB-CG1 4.27Å; P199-V246 HydrophobicContact CB-CB 3.96Å; P199-V246 HydrophobicContact CB-CG1 3.79Å; P199-V246 HydrophobicContact CG-CG1 4.41Å; Y202-V246 HydrophobicContact CD1-CG2 3.79Å; Y202-V246 HydrophobicContact CD2-CG1 4.22Å; Y202-V246 HydrophobicContact CD2-CG2 4.39Å; Y202-V246 HydrophobicContact CE1-CG2 4.45Å; Y202-V246 HydrophobicContact CG-CG1 4.34Å; Y202-V246 HydrophobicContact CG-CG2 3.76Å; C242-V246 WeakPolarHBondContact O-CB 3.23Å; C242-V246 WeakPolarHBondContact O-CG2 3.23Å; C242-V246 PolarHBondContact O-N 3.29Å; A243-V246 PolarHBondContact O-N 3.44Å; L244-V246 VanDerWaalsContact C-N 3.35Å; L244-V246 PolarHBondContact O-N 2.88Å; V246-V250 HydrophobicContact CB-CB 4.38Å; V246-V250 HydrophobicContact CB-CG2 4.47Å; V246-V250 HydrophobicContact CG1-CB 4.06Å; V246-V250 HydrophobicContact CG1-CG1 4.43Å; V246-V250 HydrophobicContact CG2-CG2 4.25Å; V246-V250 CarbonylContact O-C 3.53Å; V246-V250 WeakPolarHBondContact O-CA 3.37Å; V246-V250 WeakPolarHBondContact O-CB 3.44Å; V246-V250 PolarHBondContact O-N 2.9Å; V246-C251 PolarHBondContact O-N 3.31Å; V246-C251 PolarHBondContact O-SG 2.93Å; V246-C251 VanDerWaalsContact O-SG 3.39Å
247	W	93.4	Very high	91.8	Very high	126 Å²	126	75.8 Å²	75.8	48%	0.477	37%	0.367	S	S	.	.	I	π-helix	trans	-62.7	-43.7	177.4	-178	-86.1	0	0	0	113.1	R196 P199 A243 L244 P252	R196-W247 HydrophobicContact CB-CZ3 4.38Å; R196-W247 HydrophobicContact CG-CH2 4.13Å; R196-W247 HydrophobicContact CG-CZ3 4.02Å; P199-W247 HydrophobicContact CB-CB 4.46Å; P199-W247 HydrophobicContact CG-CB 4.29Å; P199-W247 HydrophobicContact CG-CE3 3.86Å; A243-W247 VanDerWaalsContact O-CB 3.25Å; A243-W247 WeakPolarHBondContact O-CB 3.23Å; A243-W247 PolarHBondContact O-N 2.62Å; L244-W247 PolarHBondContact O-N 3.41Å; W247-P252 WeakPolarHBondContact O-CD 3.35Å
248	F	94.1	Very high	91.3	Very high	133 Å²	133	74 Å²	74	58%	0.583	35%	0.349	S	S	*	.	I	π-helix	trans	-85.7	-32.3	-176.2	-73.5	-63.4	0	0	0	114.7	L244 P252	L244-F248 HydrophobicContact CB-CD2 4.49Å; L244-F248 HydrophobicContact CD2-CE2 4.16Å; L244-F248 WeakPolarHBondContact O-CB 2.98Å; L244-F248 VanDerWaalsContact O-CD2 3.22Å; L244-F248 WeakPolarHBondContact O-CD2 3.34Å; L244-F248 PolarHBondContact O-N 3.38Å; F248-P252 WeakPolarHBondContact O-CG 3.2Å
249	F	92.2	Very high	90.8	Very high	150 Å²	150	76 Å²	76	66%	0.658	35%	0.352	S	S	*	.	I	π-helix	trans	-109.7	-44	-175.8	-63.7	-83.9	0	0	0	113.6	I245 R253	I245-F249 HydrophobicContact CG2-CD2 4.24Å; I245-F249 WeakPolarHBondContact O-CB 3.35Å; I245-F249 PolarHBondContact O-N 3.37Å; F249-R253 VanDerWaalsContact O-CB 3.23Å; F249-R253 WeakPolarHBondContact O-CB 3.4Å; F249-R253 PolarHBondContact O-N 3.14Å
250	V	88.9	Confident	90.4	Very high	43 Å²	43	83.8 Å²	83.8	26%	0.261	38%	0.379	S	S	.	.	I	π-helix	trans	-80.4	-51.1	-173.4	-179.2	0	0	0	0	110.9	V246 R253 M254	V246-V250 HydrophobicContact CB-CB 4.38Å; V246-V250 HydrophobicContact CB-CG2 4.47Å; V246-V250 HydrophobicContact CG1-CB 4.06Å; V246-V250 HydrophobicContact CG1-CG1 4.43Å; V246-V250 HydrophobicContact CG2-CG2 4.25Å; V246-V250 CarbonylContact O-C 3.53Å; V246-V250 WeakPolarHBondContact O-CA 3.37Å; V246-V250 WeakPolarHBondContact O-CB 3.44Å; V246-V250 PolarHBondContact O-N 2.9Å; V250-R253 CarbonylContact O-C 3.6Å; V250-R253 PolarHBondContact O-N 3.42Å; V250-R253 VanDerWaalsContact O-N 3.1Å; V250-M254 HydrophobicContact CG1-CG 4.02Å; V250-M254 HydrophobicContact CG1-SD 3.68Å; V250-M254 WeakPolarHBondContact O-CB 3.23Å; V250-M254 WeakPolarHBondContact O-CG 3.25Å; V250-M254 PolarHBondContact O-N 2.88Å
251	C	89.3	Confident	89.6	Confident	14 Å²	14	84.3 Å²	84.3	10%	0.095	38%	0.377	C	S	.	.	H	α-helix	trans	-59.2	-43.4	-177.4	-62.5	0	0	0	0	113.4	L195 V246 R253 M254 K255	L195-C251 PolarHBondContact O-SG 2.98Å; V246-C251 PolarHBondContact O-N 3.31Å; V246-C251 PolarHBondContact O-SG 2.93Å; V246-C251 VanDerWaalsContact O-SG 3.39Å; C251-R253 VanDerWaalsContact C-N 3.35Å; C251-R253 PolarHBondContact O-N 3.05Å; C251-M254 PolarHBondContact O-N 2.83Å; C251-K255 WeakPolarHBondContact O-CB 3.35Å; C251-K255 PolarHBondContact O-N 3.47Å
252	P	89.6	Confident	88.7	Confident	53 Å²	53	82.1 Å²	82.1	34%	0.344	37%	0.37	S	S	.	.	H	α-helix	trans	-69.2	-31.5	175.7	-22.9	37.1	0	0	0	112.9	W247 F248 R256	W247-P252 WeakPolarHBondContact O-CD 3.35Å; F248-P252 WeakPolarHBondContact O-CG 3.2Å; P252-R256 WeakPolarHBondContact O-CB 3.46Å; P252-R256 WeakPolarHBondContact O-CG 3.28Å; P252-R256 PolarHBondContact O-N 3.28Å; P252-R256 VanDerWaalsContact O-N 3.08Å
253	R	89.1	Confident	87.7	Confident	200 Å²	200	89.7 Å²	89.7	76%	0.755	40%	0.4	S	S	*	.	H	α-helix	trans	-73.3	-38.5	176.4	-168.4	178.2	-173.6	103.4	-0.7	111.8	F249 V250 C251 K257	F249-R253 VanDerWaalsContact O-CB 3.23Å; F249-R253 WeakPolarHBondContact O-CB 3.4Å; F249-R253 PolarHBondContact O-N 3.14Å; V250-R253 CarbonylContact O-C 3.6Å; V250-R253 PolarHBondContact O-N 3.42Å; V250-R253 VanDerWaalsContact O-N 3.1Å; C251-R253 VanDerWaalsContact C-N 3.35Å; C251-R253 PolarHBondContact O-N 3.05Å; R253-K257 PolarHBondContact O-N 3.22Å
254	M	85	Confident	85.8	Confident	6 Å²	6	93.6 Å²	93.6	3%	0.03	43%	0.425	C	S	.	.	H	α-helix	trans	-68	-45.2	173.3	-75.5	-173.6	62.3	0	0	111.6	L195 L198 V250 C251 R256 K257 I258 L514 F517	L195-M254 HydrophobicContact CD2-CB 4.04Å; L198-M254 HydrophobicContact CD1-CE 3.85Å; L198-M254 HydrophobicContact CD1-SD 3.53Å; L198-M254 VanDerWaalsContact CD1-SD 3.53Å; L198-M254 HydrophobicContact CD2-CE 4.25Å; L198-M254 HydrophobicContact CD2-SD 4.28Å; V250-M254 HydrophobicContact CG1-CG 4.02Å; V250-M254 HydrophobicContact CG1-SD 3.68Å; V250-M254 WeakPolarHBondContact O-CB 3.23Å; V250-M254 WeakPolarHBondContact O-CG 3.25Å; V250-M254 PolarHBondContact O-N 2.88Å; C251-M254 PolarHBondContact O-N 2.83Å; M254-R256 PolarHBondContact O-N 3.49Å; M254-K257 WeakPolarHBondContact O-CA 3.15Å; M254-K257 WeakPolarHBondContact O-CB 3.38Å; M254-K257 PolarHBondContact O-N 2.93Å; M254-I258 WeakPolarHBondContact O-CG1 3.36Å; M254-I258 PolarHBondContact O-N 3.27Å; M254-L514 HydrophobicContact CE-CD1 3.88Å; M254-F517 HydrophobicContact CE-CB 3.76Å; M254-F517 HydrophobicContact CE-CD2 3.53Å; M254-F517 HydrophobicContact CE-CE2 4.33Å; M254-F517 HydrophobicContact CE-CG 3.82Å; M254-F517 HydrophobicContact SD-CB 4.07Å; M254-F517 HydrophobicContact SD-CD2 4.21Å; M254-F517 HydrophobicContact SD-CG 4.06Å
255	K	87.4	Confident	83.6	Confident	108 Å²	108	92.9 Å²	92.9	47%	0.47	43%	0.427	S	S	.	.	H	α-helix	trans	-53.4	-52	172.6	179.5	165.2	172.7	168.7	0	111.2	L195 C251 K257 I258 E259	L195-K255 HydrophobicContact CD1-CB 3.84Å; L195-K255 HydrophobicContact CD1-CD 4.32Å; L195-K255 HydrophobicContact CD1-CG 4.23Å; C251-K255 WeakPolarHBondContact O-CB 3.35Å; C251-K255 PolarHBondContact O-N 3.47Å; K255-K257 PolarHBondContact O-N 3.25Å; K255-I258 PolarHBondContact O-N 2.86Å; K255-E259 WeakPolarHBondContact CE-OE1 3.26Å; K255-E259 HydrophobicContact CG-CG 4.32Å; K255-E259 WeakPolarHBondContact CG-OE1 3.11Å; K255-E259 IonicContact NZ-OE1 3.25Å; K255-E259 WeakPolarHBondContact O-CB 3.28Å; K255-E259 VanDerWaalsContact O-CG 3.26Å; K255-E259 WeakPolarHBondContact O-CG 3.43Å; K255-E259 PolarHBondContact O-N 2.92Å
256	R	86.6	Confident	81.3	Confident	162 Å²	162	96 Å²	96	61%	0.611	45%	0.452	S	S	*	.	H	α-helix	trans	-61.1	-24.7	175.1	-72.6	171.9	-176.6	178.2	2.6	114.2	P252 M254 R260	P252-R256 WeakPolarHBondContact O-CB 3.46Å; P252-R256 WeakPolarHBondContact O-CG 3.28Å; P252-R256 PolarHBondContact O-N 3.28Å; P252-R256 VanDerWaalsContact O-N 3.08Å; M254-R256 PolarHBondContact O-N 3.49Å; R256-R260 WeakPolarHBondContact O-CD 3.37Å; R256-R260 WeakPolarHBondContact O-CG 3.5Å; R256-R260 PolarHBondContact O-NE 3.48Å
257	K	85.4	Confident	78.9	Confident	68 Å²	68	100.6 Å²	100.6	30%	0.296	48%	0.484	S	S	.	.	H	α-helix	trans	-77.7	-49.7	174.4	-171.3	-169	165.9	-161.3	0	110.5	R253 M254 K255 E259 R260 E261 L513 F517	R253-K257 PolarHBondContact O-N 3.22Å; M254-K257 WeakPolarHBondContact O-CA 3.15Å; M254-K257 WeakPolarHBondContact O-CB 3.38Å; M254-K257 PolarHBondContact O-N 2.93Å; K255-K257 PolarHBondContact O-N 3.25Å; K257-E259 PolarHBondContact O-N 3.07Å; K257-R260 WeakPolarHBondContact O-CB 3.28Å; K257-R260 PolarHBondContact O-N 2.62Å; K257-R260 VanDerWaalsContact O-N 3.1Å; K257-E261 WeakPolarHBondContact CE-OE1 3.45Å; K257-E261 IonicContact NZ-OE1 2.67Å; K257-E261 PolarHBondContact NZ-OE1 3.37Å; K257-E261 PolarHBondContact O-N 2.96Å; K257-L513 HydrophobicContact CD-CD2 4.02Å; K257-L513 HydrophobicContact CG-CD2 4.47Å; K257-F517 HydrophobicContact CD-CE2 3.95Å; K257-F517 HydrophobicContact CD-CZ 3.88Å
258	I	84.3	Confident	76.1	Confident	5 Å²	5	103.8 Å²	103.8	3%	0.026	51%	0.505	C	S	.	.	H	α-helix	trans	-55.1	-51.8	177.1	-67.3	163.7	0	0	0	110	V191 L195 M254 K255 R260 E261 I262 E510 L513	V191-I258 HydrophobicContact CG1-CD1 4.13Å; V191-I258 HydrophobicContact CG1-CG2 4.31Å; L195-I258 HydrophobicContact CD2-CD1 4.45Å; M254-I258 WeakPolarHBondContact O-CG1 3.36Å; M254-I258 PolarHBondContact O-N 3.27Å; K255-I258 PolarHBondContact O-N 2.86Å; I258-R260 PolarHBondContact O-N 2.96Å; I258-E261 PolarHBondContact O-N 3.49Å; I258-I262 HydrophobicContact CG2-CD1 3.59Å; I258-I262 HydrophobicContact CG2-CG1 4.41Å; I258-I262 WeakPolarHBondContact O-CD1 3.39Å; I258-I262 VanDerWaalsContact O-CG1 3.27Å; I258-I262 WeakPolarHBondContact O-CG1 3.3Å; I258-I262 PolarHBondContact O-N 3.2Å; I258-E510 HydrophobicContact CG2-CB 4Å; I258-E510 HydrophobicContact CG2-CG 4.48Å; I258-L513 HydrophobicContact CG1-CD2 3.79Å
259	E	84.8	Confident	73.1	Confident	94 Å²	94	101.7 Å²	101.7	44%	0.439	51%	0.506	S	S	.	.	H	α-helix	trans	-56.6	-32.6	177.7	-71.1	167.9	158.5	0	0	113.5	K255 K257 K263	K255-E259 WeakPolarHBondContact CE-OE1 3.26Å; K255-E259 HydrophobicContact CG-CG 4.32Å; K255-E259 WeakPolarHBondContact CG-OE1 3.11Å; K255-E259 IonicContact NZ-OE1 3.25Å; K255-E259 WeakPolarHBondContact O-CB 3.28Å; K255-E259 VanDerWaalsContact O-CG 3.26Å; K255-E259 WeakPolarHBondContact O-CG 3.43Å; K255-E259 PolarHBondContact O-N 2.92Å; K257-E259 PolarHBondContact O-N 3.07Å; E259-K263 WeakPolarHBondContact O-CB 3.3Å; E259-K263 PolarHBondContact O-N 3.07Å
260	R	85.4	Confident	70.5	Confident	174 Å²	174	100.8 Å²	100.8	66%	0.657	52%	0.515	S	S	*	.	H	α-helix	trans	-77.1	-46.1	178.2	-74.3	168.5	-173.6	-161.6	-3.4	112.4	R256 K257 I258 K263 C264	R256-R260 WeakPolarHBondContact O-CD 3.37Å; R256-R260 WeakPolarHBondContact O-CG 3.5Å; R256-R260 PolarHBondContact O-NE 3.48Å; K257-R260 WeakPolarHBondContact O-CB 3.28Å; K257-R260 PolarHBondContact O-N 2.62Å; K257-R260 VanDerWaalsContact O-N 3.1Å; I258-R260 PolarHBondContact O-N 2.96Å; R260-K263 PolarHBondContact O-N 3.36Å; R260-C264 WeakPolarHBondContact O-CB 3.28Å; R260-C264 PolarHBondContact O-N 3.3Å; R260-C264 PolarHBondContact O-SG 3.29Å; R260-C264 VanDerWaalsContact O-SG 3.35Å
261	E	79.9	Confident	67.9	Low	92 Å²	92	105.8 Å²	105.8	43%	0.43	54%	0.54	S	S	.	.	H	α-helix	trans	-72.4	-30.7	-176.7	-73.3	-179	-150.1	0	0	112	K257 I258 S265 L513	K257-E261 WeakPolarHBondContact CE-OE1 3.45Å; K257-E261 IonicContact NZ-OE1 2.67Å; K257-E261 PolarHBondContact NZ-OE1 3.37Å; K257-E261 PolarHBondContact O-N 2.96Å; I258-E261 PolarHBondContact O-N 3.49Å; E261-S265 PolarHBondContact O-N 3.32Å; E261-S265 PolarHBondContact O-OG 2.94Å; E261-L513 HydrophobicContact CB-CD1 4.09Å; E261-L513 HydrophobicContact CG-CD1 4.49Å; E261-L513 WeakPolarHBondContact OE2-CD1 3.29Å
262	I	75.9	Confident	65.3	Low	87 Å²	87	114.4 Å²	114.4	45%	0.446	58%	0.581	S	S	.	*	H	α-helix	trans	-61.8	-54.1	165.1	-61.5	163.1	0	0	0	110	I258 C264 S265 E510	I258-I262 HydrophobicContact CG2-CD1 3.59Å; I258-I262 HydrophobicContact CG2-CG1 4.41Å; I258-I262 WeakPolarHBondContact O-CD1 3.39Å; I258-I262 VanDerWaalsContact O-CG1 3.27Å; I258-I262 WeakPolarHBondContact O-CG1 3.3Å; I258-I262 PolarHBondContact O-N 3.2Å; I262-C264 PolarHBondContact O-N 3.37Å; I262-S265 WeakPolarHBondContact O-CB 3.44Å; I262-S265 PolarHBondContact O-N 3.41Å; I262-E510 HydrophobicContact CD1-CB 4.39Å; I262-E510 HydrophobicContact CD1-CG 3.54Å; I262-E510 HydrophobicContact CG1-CG 4.02Å
263	K	73.8	Confident	62.7	Low	185 Å²	185	121 Å²	121	80%	0.804	61%	0.607	S	S	*	*	H	α-helix	trans	-64.2	-25	-176.9	-173.8	170.6	-178.3	176.4	0	114	E259 R260 S265	E259-K263 WeakPolarHBondContact O-CB 3.3Å; E259-K263 PolarHBondContact O-N 3.07Å; R260-K263 PolarHBondContact O-N 3.36Å; K263-S265 VanDerWaalsContact C-N 3.34Å
264	C	53.8	Low	60.1	Low	104 Å²	104	120.5 Å²	120.5	70%	0.703	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	1.9	174.8	-70.3	0	0	0	0	114	R260 I262 P266	R260-C264 WeakPolarHBondContact O-CB 3.28Å; R260-C264 PolarHBondContact O-N 3.3Å; R260-C264 PolarHBondContact O-SG 3.29Å; R260-C264 VanDerWaalsContact O-SG 3.35Å; I262-C264 PolarHBondContact O-N 3.37Å; C264-P266 WeakPolarHBondContact O-CD 3.5Å
265	S	48.9	Very low	57.6	Low	72 Å²	72	129.8 Å²	129.8	50%	0.503	65%	0.651	S	S	.	*	S	Bend	trans	-104.4	97.8	175.2	-60.1	0	0	0	0	109.7	E261 I262 K263 S267	E261-S265 PolarHBondContact O-N 3.32Å; E261-S265 PolarHBondContact O-OG 2.94Å; I262-S265 WeakPolarHBondContact O-CB 3.44Å; I262-S265 PolarHBondContact O-N 3.41Å; K263-S265 VanDerWaalsContact C-N 3.34Å; S265-S267 PolarHBondContact O-N 3.01Å
266	P	47.1	Very low	54.8	Low	137 Å²	137	132.7 Å²	132.7	89%	0.89	67%	0.672	S	S	*	*			trans	-80.4	60.9	-171.5	33.8	-37.6	0	0	0	113.6	C264	C264-P266 WeakPolarHBondContact O-CD 3.5Å
267	S	41.6	Very low	52.3	Low	99 Å²	99	129.4 Å²	129.4	69%	0.692	67%	0.674	S	S	*	*			trans	-158.6	124.3	162.5	55.8	0	0	0	0	107.1	S265	S265-S267 PolarHBondContact O-N 3.01Å
268	E	35.2	Very low	49.6	Very low	194 Å²	194	134.1 Å²	134.1	91%	0.907	70%	0.701	S	S	*	*			cis	-116.2	164	21.6	-60.9	169.8	133.9	0	0	113.3
269	S	31.7	Very low	46.9	Very low	88 Å²	88	143.3 Å²	143.3	62%	0.615	74%	0.741	S	S	*	*			trans	-86.6	136.8	173.8	50.5	0	0	0	0	111.4	L271	S269-L271 PolarHBondContact O-N 2.85Å
270	P	36.1	Very low	44	Very low	131 Å²	131	147.7 Å²	147.7	85%	0.851	76%	0.761	S	S	*	*	S	Bend	trans	-76.8	72.6	176.9	32.1	-35.4	0	0	0	110.9
271	L	34	Very low	41.2	Very low	149 Å²	149	146.7 Å²	146.7	78%	0.78	77%	0.769	S	S	*	*			trans	-122.2	10.9	-179.8	-94.2	172.9	0	0	0	114.6	S269	S269-L271 PolarHBondContact O-N 2.85Å
272	M	36.5	Very low	38.6	Very low	195 Å²	195	150.2 Å²	150.2	96%	0.961	79%	0.785	S	S	*	*	S	Bend	trans	-117.9	32.2	169.8	-70.8	-159.9	69.4	0	0	114
273	E	34.3	Very low	36.2	Very low	190 Å²	190	154.7 Å²	154.7	89%	0.888	80%	0.804	S	S	*	*	S	Bend	trans	-124	37.3	170	-153.3	173.8	-147.7	0	0	113.2
274	K	34.3	Very low	34	Very low	190 Å²	190	154.3 Å²	154.3	83%	0.826	81%	0.805	S	S	*	*	S	Bend	trans	-149.8	48.8	166.2	-148.8	171.3	-175.5	175.1	0	115.9
275	K	31.9	Very low	32.6	Very low	201 Å²	201	154.8 Å²	154.8	87%	0.874	81%	0.805	S	S	*	*	S	Bend	trans	-147.4	50.7	162.5	-154.2	-176.5	178.6	-175.9	0	113.8
276	N	29.3	Very low	31.5	Very low	170 Å²	170	160.3 Å²	160.3	91%	0.909	82%	0.82	S	S	*	*	S	Bend	trans	-144.8	51.4	167.1	-100.4	-11.5	0	0	0	109.9
277	S	34.5	Very low	30.4	Very low	93 Å²	93	161.4 Å²	161.4	65%	0.65	82%	0.818	S	S	*	*	S	Bend	trans	-167.8	68.8	179	42.4	0	0	0	0	112.4
278	L	29.1	Very low	29.6	Very low	166 Å²	166	161.9 Å²	161.9	87%	0.869	82%	0.821	S	S	*	*	S	Bend	trans	175.7	126.9	148.3	-100.5	161.6	0	0	0	110.8
279	K	26.1	Very low	29	Very low	198 Å²	198	157.1 Å²	157.1	86%	0.861	81%	0.814	S	S	*	*			trans	67.5	137.6	-173.8	-47	-176.8	-179.4	-172.1	0	112.4
280	E	24.6	Very low	28.7	Very low	187 Å²	187	157.2 Å²	157.2	87%	0.874	82%	0.815	S	S	*	*			cis	-124.8	147	18.6	-68.1	161.7	161.8	0	0	112.1
281	D	25.7	Very low	28.2	Very low	152 Å²	152	157.4 Å²	157.4	81%	0.813	81%	0.809	S	S	*	*			trans	-132	143.2	170.6	-96.3	-48.3	0	0	0	109
282	H	26.8	Very low	27.9	Very low	166 Å²	166	157.2 Å²	157.2	77%	0.769	81%	0.807	S	S	*	*			trans	60.2	103.6	175.5	-65.2	-71.8	0	0	0	119.4
283	E	25.8	Very low	27.3	Very low	182 Å²	182	156 Å²	156	85%	0.85	80%	0.8	S	S	*	*			trans	-122.9	93.7	134.2	-173	175.2	-136.8	0	0	109.1
284	E	27	Very low	26.8	Very low	177 Å²	177	151.4 Å²	151.4	83%	0.827	79%	0.788	S	S	*	*			trans	-112.1	116.7	163.6	-86.4	-160.7	137.6	0	0	109.4
285	T	24.2	Very low	26.3	Very low	114 Å²	114	153.5 Å²	153.5	70%	0.699	79%	0.791	S	S	*	*			trans	-104.3	100.4	177.6	-64.9	0	0	0	0	110.9
286	K	25.1	Very low	25.9	Very low	187 Å²	187	151.3 Å²	151.3	81%	0.813	79%	0.789	S	S	*	*			trans	162.7	111.1	139.3	-90.1	156.1	-171.3	174	0	112.5
287	L	24	Very low	26.4	Very low	161 Å²	161	148.4 Å²	148.4	84%	0.843	78%	0.779	S	S	*	*				-168.1	155.7	114.5	-130	77.6	0	0	0	112.3
288	S	25.1	Very low	26	Very low	109 Å²	109	150.3 Å²	150.3	76%	0.762	79%	0.786	S	S	*	*			trans	53	135	157.6	51.5	0	0	0	0	121.4
289	A	23.8	Very low	25.8	Very low	93 Å²	93	146.3 Å²	146.3	77%	0.769	77%	0.773	S	S	*	*			trans	-66.3	174.6	157	0	0	0	0	0	110.5
290	S	23.9	Very low	25.7	Very low	90 Å²	90	144.3 Å²	144.3	63%	0.629	77%	0.766	S	S	*	*			cis	-164.1	178.8	32.3	51.9	0	0	0	0	115
291	D	26	Very low	25.9	Very low	135 Å²	135	143 Å²	143	72%	0.722	76%	0.763	S	S	*	*			trans	89.3	131.6	143.6	-63.9	-36.7	0	0	0	123.9
292	I	27.5	Very low	25.7	Very low	146 Å²	146	138.8 Å²	138.8	75%	0.749	76%	0.757	S	S	*	*			trans	78.8	89.8	142.2	-65.5	164	0	0	0	119.9
293	E	24.1	Very low	26.3	Very low	170 Å²	170	137.3 Å²	137.3	79%	0.794	76%	0.761	S	S	*	*				56.3	114.6	114.1	-101.9	-168.4	127	0	0	123.4
294	S	23.5	Very low	26.2	Very low	93 Å²	93	133.8 Å²	133.8	65%	0.65	76%	0.764	S	S	*	*				114.6	151.7	110.1	81.9	0	0	0	0	120.9
295	R	25.2	Very low	26.2	Very low	233 Å²	233	130.4 Å²	130.4	88%	0.879	77%	0.766	S	S	*	*			trans	77	84.6	156.5	-68.8	174.5	179.7	-175.9	0.6	121.3
296	N	23.6	Very low	26.1	Very low	155 Å²	155	132.9 Å²	132.9	83%	0.829	77%	0.774	S	S	*	*				-57.7	155.7	128.6	-82	-14.8	0	0	0	110.5
297	P	38.7	Very low	26.5	Very low	109 Å²	109	129.2 Å²	129.2	71%	0.708	77%	0.77	S	S	*	*				-145.8	150.6	71.5	44.5	-26.1	0	0	0	115.9
298	V	26.6	Very low	26.5	Very low	133 Å²	133	129.6 Å²	129.6	81%	0.806	77%	0.771	S	S	*	*				64	130.9	102.6	-175.5	0	0	0	0	113.6
299	S	24.8	Very low	26.4	Very low	83 Å²	83	133.5 Å²	133.5	58%	0.58	78%	0.778	S	S	*	*			cis	-144.3	-149.6	21.8	-142.4	0	0	0	0	112.1
300	E	24.9	Very low	26.3	Very low	155 Å²	155	133.5 Å²	133.5	72%	0.724	78%	0.778	S	S	*	*			cis	-157.3	163.1	8.2	-149.8	87.1	-104.9	0	0	112.6
301	I	28	Very low	26.3	Very low	159 Å²	159	135.9 Å²	135.9	82%	0.815	79%	0.788	S	S	*	*			trans	45.8	122.6	151.2	-73.9	161.2	0	0	0	121.6
302	G	22.3	Very low	26.2	Very low	65 Å²	65	136.1 Å²	136.1	67%	0.67	79%	0.794	S	S	*	*			trans	-112.5	-140	153.8	0	0	0	0	0	110.6
303	P	37.7	Very low	26	Very low	134 Å²	134	136.5 Å²	136.5	87%	0.87	79%	0.793	S	S	*	*			cis	-132.7	174.6	-13.4	42.1	-26.7	0	0	0	114.1
304	A	24.8	Very low	25.9	Very low	109 Å²	109	136.3 Å²	136.3	90%	0.901	79%	0.792	S	S	*	*			trans	-156.6	167.4	161.5	0	0	0	0	0	111.2
305	A	26.6	Very low	26	Very low	106 Å²	106	141.9 Å²	141.9	88%	0.876	80%	0.799	S	S	*	*			trans	-115.1	169.9	-162.4	0	0	0	0	0	116.9
306	L	22	Very low	25.8	Very low	166 Å²	166	136.8 Å²	136.8	87%	0.869	79%	0.793	S	S	*	*			trans	-69.2	177.5	173.2	-66.4	165.4	0	0	0	112.6
307	P	33.6	Very low	25.7	Very low	110 Å²	110	135.1 Å²	135.1	71%	0.714	79%	0.789	S	S	*	*			cis	-138.2	176.2	8.3	41.8	-23.1	0	0	0	118
308	L	23.2	Very low	24.9	Very low	168 Å²	168	135 Å²	135	88%	0.88	79%	0.79	S	S	*	*			trans	11.9	125.3	150	-81.3	149.8	0	0	0	121
309	Q	22.9	Very low	24.7	Very low	192 Å²	192	138.1 Å²	138.1	90%	0.897	79%	0.793	S	S	*	*				-152.3	157	124.7	-157.4	159.3	4.4	0	0	111.2
310	A	23.1	Very low	24.7	Very low	93 Å²	93	143.9 Å²	143.9	77%	0.769	81%	0.808	S	S	*	*			trans	-100.5	145.7	-180	0	0	0	0	0	112.2
311	V	23.3	Very low	24.7	Very low	140 Å²	140	144.6 Å²	144.6	85%	0.848	82%	0.816	S	S	*	*			trans	-137.3	137.7	172.4	178.3	0	0	0	0	109.1
312	V	23	Very low	24.6	Very low	140 Å²	140	139.9 Å²	139.9	85%	0.848	81%	0.806	S	S	*	*			trans	-89.6	123.1	169.3	174.4	0	0	0	0	107.9
313	E	24.4	Very low	24.7	Very low	153 Å²	153	144.2 Å²	144.2	72%	0.715	81%	0.814	S	S	*	*			trans	-101.8	102.6	174.5	-163.5	-178.2	166.9	0	0	110.5	R315	E313-R315 IonicContact OE1-NE 3.96Å
314	E	22.7	Very low	24.1	Very low	167 Å²	167	146.3 Å²	146.3	78%	0.78	82%	0.817	S	S	*	*			trans	-79.7	118.2	173.3	178.8	177.9	-147.5	0	0	109.9
315	R	23.7	Very low	24.3	Very low	210 Å²	210	150.4 Å²	150.4	79%	0.792	82%	0.818	S	S	*	*			trans	-108.3	88.3	-176.3	-139.4	174	-144.2	-169.9	6.9	112.9	E313	E313-R315 IonicContact OE1-NE 3.96Å
316	T	21.3	Very low	24.4	Very low	125 Å²	125	154.9 Å²	154.9	77%	0.767	82%	0.82	S	S	*	*			trans	-65	149.2	169.3	38	0	0	0	0	112
317	V	22.5	Very low	24.5	Very low	120 Å²	120	151.2 Å²	151.2	73%	0.727	81%	0.814	S	S	*	*			trans	-133.8	121	168.1	-179.9	0	0	0	0	107.9
318	S	21.2	Very low	24.8	Very low	106 Å²	106	151.7 Å²	151.7	74%	0.741	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-90.2	143.4	177.6	58.7	0	0	0	0	111.5
319	F	22.6	Very low	24.8	Very low	200 Å²	200	152.8 Å²	152.8	88%	0.877	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-96.7	123	165.3	-73.1	-88.7	0	0	0	108.9
320	K	24.4	Very low	24.9	Very low	204 Å²	204	154.1 Å²	154.1	89%	0.887	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-84.4	135.3	168.8	-85.3	-169.8	170.6	-172.5	0	109.9
321	L	25.1	Very low	24.9	Very low	169 Å²	169	156.5 Å²	156.5	89%	0.885	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-87.7	149	168.7	-169.5	66.1	0	0	0	109.7
322	G	26	Very low	24.8	Very low	60 Å²	60	159.3 Å²	159.3	62%	0.619	81%	0.805	S	S	*	*			trans	-173.5	106.7	168.1	0	0	0	0	0	106
323	D	24	Very low	24.8	Very low	156 Å²	156	160.8 Å²	160.8	83%	0.834	81%	0.808	S	S	*	*				90.6	104.4	76.1	-78	-9.1	0	0	0	110.5
324	L	25.8	Very low	24.9	Very low	178 Å²	178	158.3 Å²	158.3	93%	0.932	81%	0.805	S	S	*	*			trans	-156.1	120.2	163.6	-130.9	154.8	0	0	0	106.4
325	E	29.5	Very low	24.9	Very low	196 Å²	196	155.3 Å²	155.3	92%	0.916	80%	0.802	S	S	*	*			trans	-79.2	176	-160.9	-72.6	-170	124.3	0	0	115.4
326	E	27.1	Very low	25	Very low	199 Å²	199	151 Å²	151	93%	0.93	80%	0.799	S	S	*	*			trans	-74.5	177.9	-177.8	-58.3	-176.6	103.7	0	0	113.6
327	A	25.2	Very low	25.1	Very low	90 Å²	90	151.7 Å²	151.7	74%	0.744	80%	0.798	S	S	*	*			trans	-99.9	-160.7	176.1	0	0	0	0	0	110.2
328	P	40.8	Very low	25.3	Very low	119 Å²	119	154.2 Å²	154.2	77%	0.773	81%	0.807	S	S	*	*			cis	-129.3	167.5	-25.2	38.5	-24.9	0	0	0	112.8
329	E	22.6	Very low	25.4	Very low	191 Å²	191	157.2 Å²	157.2	89%	0.893	81%	0.806	S	S	*	*			trans	-153.7	-178.2	153	-128	179.3	-168	0	0	115.7
330	R	23.8	Very low	25.6	Very low	221 Å²	221	155 Å²	155	83%	0.834	80%	0.799	S	S	*	*			trans	-95.1	158.6	-159.5	-61.2	164.4	163.8	162.3	-6.6	114.1
331	E	23.3	Very low	25.6	Very low	143 Å²	143	153.5 Å²	153.5	67%	0.668	80%	0.795	S	S	*	*				-174.8	143	113.4	-89.3	-132.2	124.3	0	0	114.7
332	R	21.4	Very low	25.6	Very low	198 Å²	198	151.5 Å²	151.5	75%	0.747	79%	0.79	S	S	*	*			trans	38.5	128.3	150.6	-54.8	179.6	-155.6	-165.9	11.8	122.6
333	L	22.8	Very low	25.5	Very low	172 Å²	172	153.4 Å²	153.4	90%	0.901	79%	0.793	S	S	*	*				-165.1	168.7	106	-92.9	168.7	0	0	0	108.6
334	P	27.8	Very low	25.7	Very low	101 Å²	101	153.7 Å²	153.7	66%	0.656	79%	0.793	S	S	*	*			trans	-115.4	165.1	-141.9	42.8	-37.9	0	0	0	118.1
335	S	22.8	Very low	25.6	Very low	103 Å²	103	152.3 Å²	152.3	72%	0.72	79%	0.787	S	S	*	*			trans	40.8	131.7	143.9	65.9	0	0	0	0	119.9
336	V	25.1	Very low	25.5	Very low	120 Å²	120	148.2 Å²	148.2	73%	0.727	78%	0.78	S	S	*	*				-161.9	150.9	62.2	157.8	0	0	0	0	111.2
337	D	22.3	Very low	25.5	Very low	140 Å²	140	144.4 Å²	144.4	75%	0.749	77%	0.77	S	S	*	*			trans	9.8	130	160.5	-52.9	-26.7	0	0	0	121.8
338	L	27	Very low	25.6	Very low	173 Å²	173	145.7 Å²	145.7	91%	0.906	77%	0.769	S	S	*	*				-155.5	169.9	95	-129.1	86.1	0	0	0	112.2
339	K	24.6	Very low	25	Very low	169 Å²	169	147.4 Å²	147.4	74%	0.735	77%	0.771	S	S	*	*			trans	-87.7	-176	178.9	-50.5	-175.8	-178.4	177.1	0	111.5
340	E	25.7	Very low	25.2	Very low	153 Å²	153	142 Å²	142	72%	0.715	77%	0.766	S	S	*	*			cis	-154	-159.3	17.7	-148.1	144.1	-133.6	0	0	112
341	E	24.1	Very low	25.5	Very low	173 Å²	173	136.4 Å²	136.4	81%	0.808	77%	0.768	S	S	*	*			trans	-95.7	-175.1	-153.1	-54.3	-174.9	130.9	0	0	118.2
342	T	26.3	Very low	25.8	Very low	127 Å²	127	135.7 Å²	135.7	78%	0.779	77%	0.773	S	S	*	*			trans	102.3	112.5	164.9	67.8	0	0	0	0	116.2
343	S	22.9	Very low	26.1	Very low	99 Å²	99	135.5 Å²	135.5	69%	0.692	78%	0.781	S	S	*	*			cis	89.5	114.8	30.6	81.8	0	0	0	0	115.4
344	I	28	Very low	26.5	Very low	162 Å²	162	134.2 Å²	134.2	83%	0.831	77%	0.774	S	S	*	*			trans	-179.2	152.6	130.8	-93.2	155.4	0	0	0	110.4
345	D	24.4	Very low	26.6	Very low	150 Å²	150	134.3 Å²	134.3	80%	0.802	78%	0.775	S	S	*	*			trans	-61.3	177.1	-175.3	-53.3	-72.7	0	0	0	115.3
346	S	27.3	Very low	26.9	Very low	110 Å²	110	137.1 Å²	137.1	77%	0.769	78%	0.781	S	S	*	*			cis	-154	161	21.7	66.5	0	0	0	0	117.8
347	T	26.5	Very low	27.6	Very low	119 Å²	119	135.1 Å²	135.1	73%	0.73	79%	0.785	S	S	*	*			trans	-56.3	171.5	165.4	47.7	0	0	0	0	113.3
348	V	29.2	Very low	28	Very low	117 Å²	117	136.7 Å²	136.7	71%	0.709	79%	0.793	S	S	*	*				-163	144.5	55.5	167.2	0	0	0	0	113.2
349	N	27.9	Very low	28.5	Very low	154 Å²	154	136 Å²	136	82%	0.824	79%	0.79	S	S	*	*			trans	7.2	156.7	146.6	-47.8	-15.3	0	0	0	121.4
350	G	26	Very low	28.5	Very low	77 Å²	77	134.8 Å²	134.8	79%	0.794	80%	0.797	S	S	*	*			cis	168.9	-170.8	1.6	0	0	0	0	0	113.6
351	A	30.2	Very low	28.7	Very low	105 Å²	105	135.2 Å²	135.2	87%	0.868	80%	0.799	S	S	*	*			trans	-89	160	-176.3	0	0	0	0	0	113.8
352	V	29.2	Very low	28.7	Very low	128 Å²	128	136.2 Å²	136.2	78%	0.776	80%	0.8	S	S	*	*			trans	-130	130	166.2	178.4	0	0	0	0	109.8	L354	V352-L354 HydrophobicContact CG1-CD1 3.86Å; V352-L354 HydrophobicContact CG1-CG 4Å
353	Q	27.4	Very low	28.6	Very low	193 Å²	193	134.3 Å²	134.3	90%	0.902	79%	0.793	S	S	*	*			trans	-125.6	132.6	175.2	-173.6	179.1	44.7	0	0	107
354	L	30.9	Very low	28.7	Very low	146 Å²	146	138.6 Å²	138.6	76%	0.764	80%	0.802	S	S	*	*			trans	-138.8	158.5	-170.9	-89.7	171.9	0	0	0	110.8	V352	V352-L354 HydrophobicContact CG1-CD1 3.86Å; V352-L354 HydrophobicContact CG1-CG 4Å
355	P	30	Very low	28.5	Very low	103 Å²	103	135.8 Å²	135.8	67%	0.669	80%	0.802	S	S	*	*	S	Bend		-121.1	132.9	-112.1	37.8	-28	0	0	0	113.9
356	N	30	Very low	28.8	Very low	161 Å²	161	135.3 Å²	135.3	86%	0.861	80%	0.804	S	S	*	*			trans	165.5	122.1	145.2	-86.5	-25	0	0	0	106.1	N358	N356-N358 PolarHBondContact O-N 3.39Å
357	G	40.4	Very low	28.6	Very low	78 Å²	78	135.7 Å²	135.7	80%	0.804	81%	0.807	S	S	*	*			trans	-73.9	101.9	-170.8	0	0	0	0	0	113
358	N	29.6	Very low	28.6	Very low	173 Å²	173	137 Å²	137	93%	0.925	81%	0.81	S	S	*	*			trans	-170.2	160.9	131.7	-95.6	-28.2	0	0	0	113.4	N356	N356-N358 PolarHBondContact O-N 3.39Å
359	L	37.1	Very low	28.3	Very low	159 Å²	159	140.4 Å²	140.4	83%	0.832	82%	0.818	S	S	*	*			trans	-96.4	135.8	-169.6	177.4	80.5	0	0	0	112.8
360	V	25.5	Very low	28.2	Very low	144 Å²	144	140.1 Å²	140.1	87%	0.873	82%	0.815	S	S	*	*			trans	-146	145.3	153.9	178.7	0	0	0	0	110.5
361	Q	30	Very low	27.9	Very low	162 Å²	162	143.6 Å²	143.6	76%	0.757	82%	0.815	S	S	*	*			trans	-126.8	144	176.3	161.2	-168	-6.1	0	0	108.2
362	F	23.9	Very low	27.6	Very low	193 Å²	193	143.1 Å²	143.1	85%	0.846	81%	0.805	S	S	*	*			trans	-172.8	148.4	145.9	-108.2	-64.4	0	0	0	116.7
363	S	23.4	Very low	27.3	Very low	88 Å²	88	142.4 Å²	142.4	62%	0.615	81%	0.806	S	S	*	*			trans	33.1	114.4	153.1	-73.4	0	0	0	0	124.6
364	Q	26.7	Very low	27.4	Very low	189 Å²	189	136.1 Å²	136.1	88%	0.883	79%	0.793	S	S	*	*				47	109.1	104	-172.3	-177.6	3.6	0	0	120
365	A	23.8	Very low	27.1	Very low	102 Å²	102	138.5 Å²	138.5	84%	0.843	80%	0.8	S	S	*	*			trans	-155.1	158.3	145.6	0	0	0	0	0	110.7
366	V	29.3	Very low	26.9	Very low	140 Å²	140	144.4 Å²	144.4	85%	0.848	81%	0.811	S	S	*	*			trans	-104.9	138.4	178.4	173.3	0	0	0	0	110.4
367	S	22.6	Very low	26.7	Very low	118 Å²	118	144.9 Å²	144.9	83%	0.825	81%	0.808	S	S	*	*			trans	-153.7	149.8	154.4	-165.4	0	0	0	0	111.6
368	N	26.8	Very low	26	Very low	147 Å²	147	151.2 Å²	151.2	79%	0.786	81%	0.809	S	S	*	*			trans	-86.7	144.8	173.7	-71.3	-40.7	0	0	0	110.7
369	Q	23.2	Very low	26	Very low	189 Å²	189	150.9 Å²	150.9	88%	0.883	80%	0.801	S	S	*	*			trans	-168.2	158.7	134.3	-98.8	-75.1	-43.9	0	0	108.6
370	I	25.4	Very low	25.7	Very low	147 Å²	147	149.1 Å²	149.1	75%	0.754	80%	0.797	S	S	*	*			trans	-109.7	134.6	-168.1	-65.9	159.9	0	0	0	109.6
371	N	21	Very low	26.2	Very low	150 Å²	150	146.8 Å²	146.8	80%	0.802	78%	0.783	S	S	*	*			trans	-162.1	153	139.5	-117.5	-36.4	0	0	0	117.9
372	S	23.2	Very low	26.5	Very low	95 Å²	95	145.8 Å²	145.8	66%	0.664	78%	0.778	S	S	*	*			trans	51.7	115.4	155.9	61	0	0	0	0	122
373	S	23.9	Very low	27.4	Very low	114 Å²	114	144.3 Å²	144.3	80%	0.797	77%	0.772	S	S	*	*			trans	60.6	90.2	135.5	62.4	0	0	0	0	120.7
374	G	28.1	Very low	28.2	Very low	61 Å²	61	146.7 Å²	146.7	63%	0.629	78%	0.777	S	S	*	*				89.6	88.9	103.9	0	0	0	0	0	119.1
375	H	25.3	Very low	29.1	Very low	195 Å²	195	139.4 Å²	139.4	90%	0.903	75%	0.747	S	S	*	*				-173.7	106.4	122.8	-100.4	83.5	0	0	0	108.4	Q377	H375-Q377 PolarHBondContact O-N 2.93Å
376	Y	26.4	Very low	30.2	Very low	227 Å²	227	137.1 Å²	137.1	89%	0.89	73%	0.734	S	S	*	*			trans	-88.4	108.8	176.4	-75.7	-72.6	0	0	0	110.8	Y378	Y376-Y378 PolarHBondContact O-N 3.18Å
377	Q	24.8	Very low	30.9	Very low	171 Å²	171	135.6 Å²	135.6	80%	0.799	72%	0.72	S	S	*	*			trans	-76.4	111.6	178.4	-173.5	170.6	-8	0	0	110.3	H375 H379	H375-Q377 PolarHBondContact O-N 2.93Å; Q377-H379 PolarHBondContact O-N 3.47Å; Q377-H379 VanDerWaalsContact O-N 3.09Å
378	Y	25.8	Very low	31.9	Very low	212 Å²	212	135 Å²	135	83%	0.831	70%	0.701	S	S	*	*			trans	-69.5	102.8	-179.9	-75.1	-86.8	0	0	0	111.8	Y376 T380	Y376-Y378 PolarHBondContact O-N 3.18Å; Y378-T380 PolarHBondContact O-N 2.88Å; Y378-T380 VanDerWaalsContact O-N 3.13Å
379	H	29	Very low	33	Very low	166 Å²	166	135 Å²	135	77%	0.769	69%	0.694	S	S	*	*			trans	-72.7	99.6	163.4	-90.8	-87	0	0	0	110.4	Q377 V381	Q377-H379 PolarHBondContact O-N 3.47Å; Q377-H379 VanDerWaalsContact O-N 3.09Å; H379-V381 PolarHBondContact O-N 3.41Å
380	T	32.2	Very low	33.9	Very low	121 Å²	121	130.4 Å²	130.4	74%	0.742	67%	0.672	S	S	*	*			trans	-71.1	93.2	171.7	51	0	0	0	0	110.7	Y378 H382	Y378-T380 PolarHBondContact O-N 2.88Å; Y378-T380 VanDerWaalsContact O-N 3.13Å; T380-H382 PolarHBondContact O-N 3.42Å; T380-H382 VanDerWaalsContact O-N 3.14Å
381	V	35.6	Very low	35	Very low	95 Å²	95	129 Å²	129	58%	0.576	67%	0.666	S	S	*	*			trans	-62.6	113.5	172.8	178.2	0	0	0	0	109.1	H379 S385	H379-V381 PolarHBondContact O-N 3.41Å; V381-S385 WeakPolarHBondContact CG1-OG 3.28Å
382	H	36.7	Very low	36.4	Very low	142 Å²	142	125.7 Å²	125.7	66%	0.657	65%	0.647	S	S	*	*			trans	-63	138.9	179.3	-103.3	-106.7	0	0	0	111.3	T380 D384 S385	T380-H382 PolarHBondContact O-N 3.42Å; T380-H382 VanDerWaalsContact O-N 3.14Å; H382-D384 PolarHBondContact O-N 3Å; H382-D384 VanDerWaalsContact O-N 3.09Å; H382-S385 VanDerWaalsContact O-CB 3.3Å; H382-S385 WeakPolarHBondContact O-CB 3.15Å; H382-S385 PolarHBondContact O-N 3.18Å; H382-S385 PolarHBondContact O-OG 2.89Å
383	K	41.8	Very low	37.6	Very low	162 Å²	162	126.6 Å²	126.6	70%	0.704	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-23.7	-173	-157.7	175.4	-175.2	-179.3	0	114.1
384	D	40.3	Very low	38.7	Very low	137 Å²	137	127 Å²	127	73%	0.733	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-0.5	-177.9	-50.9	-69.3	0	0	0	113.3	H382	H382-D384 PolarHBondContact O-N 3Å; H382-D384 VanDerWaalsContact O-N 3.09Å
385	S	46.7	Very low	39.7	Very low	36 Å²	36	129.1 Å²	129.1	25%	0.252	63%	0.625	S	S	.	*			trans	-65.5	139.2	176.9	64.5	0	0	0	0	111.7	V381 H382 L387 Y388	V381-S385 WeakPolarHBondContact CG1-OG 3.28Å; H382-S385 VanDerWaalsContact O-CB 3.3Å; H382-S385 WeakPolarHBondContact O-CB 3.15Å; H382-S385 PolarHBondContact O-N 3.18Å; H382-S385 PolarHBondContact O-OG 2.89Å; S385-L387 PolarHBondContact O-N 3.44Å; S385-Y388 PolarHBondContact O-N 2.9Å; S385-Y388 VanDerWaalsContact O-N 3.08Å
386	G	45.5	Very low	41	Very low	55 Å²	55	126.2 Å²	126.2	57%	0.567	61%	0.611	S	S	*	*	H	α-helix	trans	-57	-33.6	178.8	0	0	0	0	0	112.9	Y388 K389 E390	G386-Y388 VanDerWaalsContact C-N 3.28Å; G386-Y388 PolarHBondContact O-N 3.21Å; G386-K389 PolarHBondContact O-N 3.27Å; G386-E390 PolarHBondContact O-N 3.4Å
387	L	43.8	Very low	41.8	Very low	107 Å²	107	120.1 Å²	120.1	56%	0.56	59%	0.594	S	S	*	*	H	α-helix	trans	-56.8	-38.1	177	-153.3	79.9	0	0	0	112.8	S385 E390 L391	S385-L387 PolarHBondContact O-N 3.44Å; L387-E390 PolarHBondContact O-N 3.43Å; L387-L391 WeakPolarHBondContact O-CB 3.37Å; L387-L391 PolarHBondContact O-N 3.03Å
388	Y	44.7	Very low	42.8	Very low	107 Å²	107	114.9 Å²	114.9	42%	0.42	58%	0.579	S	S	.	*	H	α-helix	trans	-65.2	-41.3	176.2	178.4	-96.4	0	0	0	111.6	S385 G386 L392	S385-Y388 PolarHBondContact O-N 2.9Å; S385-Y388 VanDerWaalsContact O-N 3.08Å; G386-Y388 VanDerWaalsContact C-N 3.28Å; G386-Y388 PolarHBondContact O-N 3.21Å; Y388-L392 WeakPolarHBondContact O-CB 3.06Å; Y388-L392 PolarHBondContact O-N 3.04Å
389	K	49.8	Very low	43.8	Very low	146 Å²	146	112.1 Å²	112.1	64%	0.635	57%	0.572	S	S	*	*	H	α-helix	trans	-67.7	-39.2	176.1	-68.1	-179.9	179.6	174.1	0	111.8	G386 L392 H393	G386-K389 PolarHBondContact O-N 3.27Å; K389-L392 PolarHBondContact O-N 3.26Å; K389-H393 WeakPolarHBondContact O-CB 3.13Å; K389-H393 PolarHBondContact O-N 2.89Å
390	E	42.9	Very low	44.2	Very low	93 Å²	93	108.2 Å²	108.2	44%	0.435	56%	0.559	S	S	.	*	H	α-helix	trans	-68	-41.6	177.8	-162.6	-170.9	149.4	0	0	112.2	G386 L387 H393 K394	G386-E390 PolarHBondContact O-N 3.4Å; L387-E390 PolarHBondContact O-N 3.43Å; E390-H393 PolarHBondContact O-N 3.36Å; E390-K394 HydrophobicContact CG-CD 4.38Å; E390-K394 WeakPolarHBondContact O-CB 3.26Å; E390-K394 PolarHBondContact O-N 2.87Å; E390-K394 WeakPolarHBondContact OE1-CE 3.49Å; E390-K394 IonicContact OE1-NZ 3.32Å; E390-K394 PolarHBondContact OE1-NZ 2.78Å
391	L	47.1	Very low	44.4	Very low	117 Å²	117	105 Å²	105	61%	0.613	55%	0.55	S	S	*	.	H	α-helix	trans	-59.1	-45.3	170.7	-100.6	147.3	0	0	0	111.6	L387 H393 K394 L395	L387-L391 WeakPolarHBondContact O-CB 3.37Å; L387-L391 PolarHBondContact O-N 3.03Å; L391-H393 VanDerWaalsContact C-N 3.32Å; L391-H393 PolarHBondContact O-N 2.84Å; L391-K394 PolarHBondContact O-N 3.45Å; L391-L395 VanDerWaalsContact O-CB 3.27Å; L391-L395 WeakPolarHBondContact O-CB 3.31Å; L391-L395 PolarHBondContact O-N 2.87Å
392	L	50.8	Low	44.5	Very low	80 Å²	80	107 Å²	107	42%	0.419	56%	0.557	S	S	.	*	H	α-helix	trans	-61.8	-40.7	176.9	-144.4	77.4	0	0	0	111.7	Y388 K389 H396	Y388-L392 WeakPolarHBondContact O-CB 3.06Å; Y388-L392 PolarHBondContact O-N 3.04Å; K389-L392 PolarHBondContact O-N 3.26Å; L392-H396 WeakPolarHBondContact O-CB 3.48Å; L392-H396 PolarHBondContact O-N 3.44Å
393	H	48.3	Very low	44.3	Very low	114 Å²	114	105.1 Å²	105.1	53%	0.528	56%	0.559	S	S	.	*	H	α-helix	trans	-68.2	-45.8	178.5	-175	-121.3	0	0	0	112.3	K389 E390 L391 L395 H396 L397	K389-H393 WeakPolarHBondContact O-CB 3.13Å; K389-H393 PolarHBondContact O-N 2.89Å; E390-H393 PolarHBondContact O-N 3.36Å; L391-H393 VanDerWaalsContact C-N 3.32Å; L391-H393 PolarHBondContact O-N 2.84Å; H393-L395 PolarHBondContact O-N 3.32Å; H393-H396 WeakPolarHBondContact O-CB 3.37Å; H393-H396 PolarHBondContact O-N 3.14Å; H393-H396 VanDerWaalsContact O-N 3.17Å; H393-L397 WeakPolarHBondContact O-CG 3.5Å; H393-L397 PolarHBondContact O-N 3.1Å
394	K	46.2	Very low	44	Very low	124 Å²	124	106.3 Å²	106.3	54%	0.539	57%	0.57	S	S	.	*	H	α-helix	trans	-66.5	-35.6	176.5	-75.9	177.9	170.6	166.6	0	112.3	E390 L391 H396 L397 A398	E390-K394 HydrophobicContact CG-CD 4.38Å; E390-K394 WeakPolarHBondContact O-CB 3.26Å; E390-K394 PolarHBondContact O-N 2.87Å; E390-K394 WeakPolarHBondContact OE1-CE 3.49Å; E390-K394 IonicContact OE1-NZ 3.32Å; E390-K394 PolarHBondContact OE1-NZ 2.78Å; L391-K394 PolarHBondContact O-N 3.45Å; K394-H396 VanDerWaalsContact C-N 3.33Å; K394-L397 PolarHBondContact O-N 2.86Å; K394-A398 WeakPolarHBondContact O-CB 3.43Å; K394-A398 PolarHBondContact O-N 2.83Å
395	L	50.9	Low	43.7	Very low	105 Å²	105	102.9 Å²	102.9	55%	0.55	57%	0.567	S	S	.	*	H	α-helix	trans	-64.9	-37	171.4	-165.7	78.4	0	0	0	111.9	L391 H393 K399 Y421	L391-L395 VanDerWaalsContact O-CB 3.27Å; L391-L395 WeakPolarHBondContact O-CB 3.31Å; L391-L395 PolarHBondContact O-N 2.87Å; H393-L395 PolarHBondContact O-N 3.32Å; L395-K399 WeakPolarHBondContact O-CB 3.47Å; L395-K399 PolarHBondContact O-N 3.31Å; L395-Y421 HydrophobicContact CD2-CE1 4.49Å
396	H	52.3	Low	43.2	Very low	134 Å²	134	108.8 Å²	108.8	62%	0.62	60%	0.595	S	S	*	*	H	α-helix	trans	-68.6	-44.5	175.7	-150.2	102.9	0	0	0	111.6	L392 H393 K394 K399 V400	L392-H396 WeakPolarHBondContact O-CB 3.48Å; L392-H396 PolarHBondContact O-N 3.44Å; H393-H396 WeakPolarHBondContact O-CB 3.37Å; H393-H396 PolarHBondContact O-N 3.14Å; H393-H396 VanDerWaalsContact O-N 3.17Å; K394-H396 VanDerWaalsContact C-N 3.33Å; H396-K399 PolarHBondContact O-N 3.3Å; H396-V400 WeakPolarHBondContact O-CG2 3.34Å; H396-V400 PolarHBondContact O-N 2.89Å
397	L	43.3	Very low	42.7	Very low	99 Å²	99	111 Å²	111	52%	0.518	60%	0.602	S	S	.	*	H	α-helix	trans	-62.9	-44.9	177.1	-74.7	170.1	0	0	0	112.5	H393 K394 K399 V400 G401	H393-L397 WeakPolarHBondContact O-CG 3.5Å; H393-L397 PolarHBondContact O-N 3.1Å; K394-L397 PolarHBondContact O-N 2.86Å; L397-K399 VanDerWaalsContact C-N 3.27Å; L397-K399 PolarHBondContact O-N 3.14Å; L397-V400 PolarHBondContact O-N 3.37Å; L397-V400 VanDerWaalsContact O-N 3.12Å; L397-G401 PolarHBondContact O-N 3.48Å
398	A	45.7	Very low	42.5	Very low	60 Å²	60	110.1 Å²	110.1	50%	0.496	62%	0.619	S	S	.	*	H	α-helix	trans	-56	-45.5	174.3	0	0	0	0	0	111.1	K394 V400 G401 D402	K394-A398 WeakPolarHBondContact O-CB 3.43Å; K394-A398 PolarHBondContact O-N 2.83Å; A398-V400 VanDerWaalsContact C-N 3.28Å; A398-V400 PolarHBondContact O-N 2.96Å; A398-G401 PolarHBondContact O-N 3.22Å; A398-G401 VanDerWaalsContact O-N 3.14Å; A398-D402 PolarHBondContact O-N 3.09Å
399	K	45.4	Very low	41.9	Very low	155 Å²	155	112.5 Å²	112.5	67%	0.674	64%	0.639	S	S	*	*	H	α-helix	trans	-69.8	-20.1	179.1	-166.3	168.1	-173.9	174.5	0	114.5	L395 H396 L397 C403	L395-K399 WeakPolarHBondContact O-CB 3.47Å; L395-K399 PolarHBondContact O-N 3.31Å; H396-K399 PolarHBondContact O-N 3.3Å; L397-K399 VanDerWaalsContact C-N 3.27Å; L397-K399 PolarHBondContact O-N 3.14Å; K399-C403 PolarHBondContact O-SG 2.94Å; K399-C403 VanDerWaalsContact O-SG 3.41Å
400	V	38.9	Very low	41	Very low	83 Å²	83	114.7 Å²	114.7	50%	0.503	65%	0.648	S	S	.	*	H	α-helix	trans	-81.2	-31	171.4	169.1	0	0	0	0	111.2	H396 L397 A398 C403	H396-V400 WeakPolarHBondContact O-CG2 3.34Å; H396-V400 PolarHBondContact O-N 2.89Å; L397-V400 PolarHBondContact O-N 3.37Å; L397-V400 VanDerWaalsContact O-N 3.12Å; A398-V400 VanDerWaalsContact C-N 3.28Å; A398-V400 PolarHBondContact O-N 2.96Å; V400-C403 WeakPolarHBondContact O-CB 2.98Å; V400-C403 PolarHBondContact O-N 3.41Å; V400-C403 VanDerWaalsContact O-N 3.15Å
401	G	34.7	Very low	40.4	Very low	53 Å²	53	116.4 Å²	116.4	55%	0.546	67%	0.667	S	S	.	*	H	α-helix	trans	-59.4	-44.4	172.6	0	0	0	0	0	112.7	L397 A398 C403 M404	L397-G401 PolarHBondContact O-N 3.48Å; A398-G401 PolarHBondContact O-N 3.22Å; A398-G401 VanDerWaalsContact O-N 3.14Å; G401-C403 PolarHBondContact O-N 2.66Å; G401-M404 PolarHBondContact O-N 2.78Å
402	D	38.1	Very low	39.6	Very low	138 Å²	138	118.9 Å²	118.9	74%	0.738	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-66.3	-6.2	177.1	-64	-26	0	0	0	114	A398	A398-D402 PolarHBondContact O-N 3.09Å
403	C	33.6	Very low	38.7	Very low	102 Å²	102	126.4 Å²	126.4	69%	0.689	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-91.5	5.1	176.6	-67.1	0	0	0	0	114.6	K399 V400 G401	K399-C403 PolarHBondContact O-SG 2.94Å; K399-C403 VanDerWaalsContact O-SG 3.41Å; V400-C403 WeakPolarHBondContact O-CB 2.98Å; V400-C403 PolarHBondContact O-N 3.41Å; V400-C403 VanDerWaalsContact O-N 3.15Å; G401-C403 PolarHBondContact O-N 2.66Å
404	M	35.8	Very low	37.9	Very low	188 Å²	188	131.1 Å²	131.1	93%	0.926	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-111	31.7	169.5	-86.2	-167.8	159.7	0	0	113.4	G401	G401-M404 PolarHBondContact O-N 2.78Å
405	G	33.9	Very low	37.4	Very low	65 Å²	65	132.1 Å²	132.1	67%	0.67	73%	0.728	S	S	*	*			trans	-91.2	135.9	163.2	0	0	0	0	0	111.8
406	D	36.2	Very low	36.7	Very low	160 Å²	160	132.1 Å²	132.1	86%	0.856	73%	0.728	S	S	*	*			trans	-75.5	166.8	175.5	-168.6	15.8	0	0	0	112
407	S	34	Very low	36.6	Very low	100 Å²	100	128.9 Å²	128.9	70%	0.699	72%	0.721	S	S	*	*	S	Bend	trans	86.7	87	178.2	-51.1	0	0	0	0	118.3	D409	S407-D409 PolarHBondContact O-N 2.61Å
408	G	39.3	Very low	36.3	Very low	89 Å²	89	133.1 Å²	133.1	92%	0.918	73%	0.731	S	S	*	*				80.1	-32.4	116	0	0	0	0	0	121.3
409	D	33	Very low	36	Very low	158 Å²	158	134.1 Å²	134.1	85%	0.845	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-96.3	144	-166.4	-101.7	-40.4	0	0	0	115.7	S407	S407-D409 PolarHBondContact O-N 2.61Å
410	K	30.8	Very low	36	Very low	192 Å²	192	130 Å²	130	84%	0.835	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-82.2	124.9	-179.4	-73	176.4	-179.7	172.3	0	111.3	L412	K410-L412 PolarHBondContact O-N 3.01Å
411	P	30.9	Very low	36.1	Very low	128 Å²	128	131.9 Å²	131.9	83%	0.831	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-68.8	125.5	-176.8	26.2	-34.1	0	0	0	112.8	R413	P411-R413 PolarHBondContact O-N 3.25Å
412	L	29.3	Very low	36.3	Very low	169 Å²	169	132.9 Å²	132.9	89%	0.885	72%	0.717	S	S	*	*			trans	-74.7	114	-176	-148.3	87.8	0	0	0	111.9	K410 R414	K410-L412 PolarHBondContact O-N 3.01Å; L412-R414 PolarHBondContact O-N 3.22Å
413	R	32.2	Very low	36.6	Very low	238 Å²	238	131.4 Å²	131.4	90%	0.898	71%	0.707	S	S	*	*			trans	-74.1	74.8	-176.3	-170.1	-176.7	177.6	175.3	-0.3	113.3	P411 N415	P411-R413 PolarHBondContact O-N 3.25Å; R413-N415 PolarHBondContact O-N 2.92Å
414	R	32.2	Very low	37	Very low	214 Å²	214	130.2 Å²	130.2	81%	0.808	70%	0.704	S	S	*	*			trans	-81.9	97.2	173.8	-173.7	170.6	173.2	173.6	-3.6	112	L412 N416	L412-R414 PolarHBondContact O-N 3.22Å; R414-N416 PolarHBondContact O-N 3.45Å
415	N	34.9	Very low	37.2	Very low	145 Å²	145	128.1 Å²	128.1	78%	0.775	70%	0.695	S	S	*	*			trans	-87.2	76.9	-176.5	-169.5	34	0	0	0	113.5	R413	R413-N415 PolarHBondContact O-N 2.92Å
416	N	37.2	Very low	37.5	Very low	104 Å²	104	129.1 Å²	129.1	56%	0.556	69%	0.691	S	S	*	*			trans	-155.9	109.9	158.9	-153	-14.6	0	0	0	110.9	R414	R414-N416 PolarHBondContact O-N 3.45Å
417	S	48.3	Very low	37.4	Very low	67 Å²	67	124.3 Å²	124.3	47%	0.469	68%	0.679	S	S	.	*	H	α-helix	trans	-86	-25.3	-167.6	52.7	0	0	0	0	114.9	T419 S420 Y421	S417-T419 PolarHBondContact O-N 3.25Å; S417-S420 PolarHBondContact O-OG 3.11Å; S417-S420 VanDerWaalsContact O-OG 3.07Å; S417-Y421 WeakPolarHBondContact O-CD2 3.39Å; S417-Y421 PolarHBondContact O-N 2.79Å
418	Y	37	Very low	37.4	Very low	188 Å²	188	125.5 Å²	125.5	74%	0.737	68%	0.675	S	S	*	*	H	α-helix	trans	-63.4	-45.4	-176.4	-108.6	-91.1	0	0	0	112.3	S420 Y421 T422	Y418-S420 VanDerWaalsContact C-N 3.34Å; Y418-S420 PolarHBondContact O-N 3.2Å; Y418-Y421 PolarHBondContact O-N 3.35Å; Y418-T422 PolarHBondContact O-N 3.48Å; Y418-T422 PolarHBondContact O-OG1 2.96Å; Y418-T422 VanDerWaalsContact O-OG1 3.08Å
419	T	40.5	Very low	37.2	Very low	80 Å²	80	126.8 Å²	126.8	49%	0.491	67%	0.667	S	S	.	*	H	α-helix	trans	-65.9	-34.7	-174.3	-30.9	0	0	0	0	112.9	S417 M423	S417-T419 PolarHBondContact O-N 3.25Å; T419-M423 PolarHBondContact O-N 3.49Å
420	S	44.6	Very low	37.6	Very low	70 Å²	70	127 Å²	127	49%	0.49	67%	0.667	S	S	.	*	H	α-helix	trans	-74.5	-37.2	176.6	40.6	0	0	0	0	112.3	S417 Y418 M423 A424	S417-S420 PolarHBondContact O-OG 3.11Å; S417-S420 VanDerWaalsContact O-OG 3.07Å; Y418-S420 VanDerWaalsContact C-N 3.34Å; Y418-S420 PolarHBondContact O-N 3.2Å; S420-M423 PolarHBondContact O-N 3.17Å; S420-A424 WeakPolarHBondContact O-CB 3.35Å; S420-A424 PolarHBondContact O-N 2.65Å; S420-A424 VanDerWaalsContact O-N 3.09Å
421	Y	40.8	Very low	37.6	Very low	121 Å²	121	124.6 Å²	124.6	48%	0.475	66%	0.663	S	S	.	*	H	α-helix	trans	-63.4	-40.5	171	-69.8	-51.2	0	0	0	111.9	L395 S417 Y418 A424 I425	L395-Y421 HydrophobicContact CD2-CE1 4.49Å; S417-Y421 WeakPolarHBondContact O-CD2 3.39Å; S417-Y421 PolarHBondContact O-N 2.79Å; Y418-Y421 PolarHBondContact O-N 3.35Å; Y421-A424 PolarHBondContact O-N 3.06Å; Y421-I425 WeakPolarHBondContact O-CB 3.48Å; Y421-I425 WeakPolarHBondContact O-CD1 3.43Å; Y421-I425 VanDerWaalsContact O-CG1 3.25Å; Y421-I425 WeakPolarHBondContact O-CG1 3.21Å; Y421-I425 PolarHBondContact O-N 3.4Å
422	T	39.9	Very low	37.6	Very low	75 Å²	75	123.5 Å²	123.5	46%	0.46	66%	0.659	S	S	.	*	H	α-helix	trans	-62	-46.1	176.6	-50.6	0	0	0	0	112.2	Y418 A424 I425 C426	Y418-T422 PolarHBondContact O-N 3.48Å; Y418-T422 PolarHBondContact O-OG1 2.96Å; Y418-T422 VanDerWaalsContact O-OG1 3.08Å; T422-A424 VanDerWaalsContact C-N 3.35Å; T422-A424 PolarHBondContact O-N 3.46Å; T422-I425 PolarHBondContact O-N 3.5Å; T422-C426 WeakPolarHBondContact O-CB 3.27Å; T422-C426 PolarHBondContact O-N 3.27Å; T422-C426 PolarHBondContact O-SG 3.02Å; T422-C426 VanDerWaalsContact O-SG 3.33Å
423	M	43.4	Very low	37.7	Very low	107 Å²	107	125.1 Å²	125.1	53%	0.527	66%	0.659	S	S	.	*	H	α-helix	trans	-65.7	-35.6	177.8	-70.2	-147.6	-56.4	0	0	113.3	T419 S420 C426 G427 M428	T419-M423 PolarHBondContact O-N 3.49Å; S420-M423 PolarHBondContact O-N 3.17Å; M423-C426 PolarHBondContact O-N 3.44Å; M423-G427 PolarHBondContact O-N 3.05Å; M423-M428 HydrophobicContact SD-SD 4.32Å
424	A	43.6	Very low	37.5	Very low	77 Å²	77	124.9 Å²	124.9	64%	0.636	66%	0.658	S	S	*	*	H	α-helix	trans	-65.9	-41.1	175	0	0	0	0	0	112.2	S420 Y421 T422 G427	S420-A424 WeakPolarHBondContact O-CB 3.35Å; S420-A424 PolarHBondContact O-N 2.65Å; S420-A424 VanDerWaalsContact O-N 3.09Å; Y421-A424 PolarHBondContact O-N 3.06Å; T422-A424 VanDerWaalsContact C-N 3.35Å; T422-A424 PolarHBondContact O-N 3.46Å; A424-G427 PolarHBondContact O-N 3.49Å
425	I	39.6	Very low	37.4	Very low	143 Å²	143	119.3 Å²	119.3	73%	0.733	66%	0.658	S	S	*	*	H	α-helix	trans	-70.3	-34.2	177.3	-68.2	165.4	0	0	0	111.5	Y421 T422 G427	Y421-I425 WeakPolarHBondContact O-CB 3.48Å; Y421-I425 WeakPolarHBondContact O-CD1 3.43Å; Y421-I425 VanDerWaalsContact O-CG1 3.25Å; Y421-I425 WeakPolarHBondContact O-CG1 3.21Å; Y421-I425 PolarHBondContact O-N 3.4Å; T422-I425 PolarHBondContact O-N 3.5Å; I425-G427 VanDerWaalsContact C-N 3.26Å; I425-G427 PolarHBondContact O-N 2.95Å
426	C	39.9	Very low	37	Very low	87 Å²	87	122.3 Å²	122.3	59%	0.588	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	1.8	177.1	-68.1	0	0	0	0	114.6	T422 M423 M428	T422-C426 WeakPolarHBondContact O-CB 3.27Å; T422-C426 PolarHBondContact O-N 3.27Å; T422-C426 PolarHBondContact O-SG 3.02Å; T422-C426 VanDerWaalsContact O-SG 3.33Å; M423-C426 PolarHBondContact O-N 3.44Å; C426-M428 VanDerWaalsContact C-N 3.31Å; C426-M428 PolarHBondContact O-N 3.02Å
427	G	34	Very low	36.7	Very low	58 Å²	58	126.8 Å²	126.8	60%	0.598	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.3	26.7	169	0	0	0	0	0	115.8	M423 A424 I425 P429	M423-G427 PolarHBondContact O-N 3.05Å; A424-G427 PolarHBondContact O-N 3.49Å; I425-G427 VanDerWaalsContact C-N 3.26Å; I425-G427 PolarHBondContact O-N 2.95Å; G427-P429 WeakPolarHBondContact O-CD 3.46Å
428	M	34.5	Very low	35.8	Very low	125 Å²	125	127 Å²	127	62%	0.616	69%	0.694	S	S	*	*			trans	-71.2	125.2	-179.2	-70	-174.2	67.9	0	0	111.6	M423 C426	M423-M428 HydrophobicContact SD-SD 4.32Å; C426-M428 VanDerWaalsContact C-N 3.31Å; C426-M428 PolarHBondContact O-N 3.02Å
429	P	34.5	Very low	35.2	Very low	116 Å²	116	127.7 Å²	127.7	75%	0.753	70%	0.704	S	S	*	*			trans	-63.5	135.3	177.2	-22.5	33.9	0	0	0	112.5	G427	G427-P429 WeakPolarHBondContact O-CD 3.46Å
430	L	40.6	Very low	34.6	Very low	162 Å²	162	132.9 Å²	132.9	85%	0.848	72%	0.723	S	S	*	*	S	Bend	trans	-86	-11.3	-170.4	-132.4	102.4	0	0	0	114.9
431	D	32	Very low	33.7	Very low	142 Å²	142	140 Å²	140	76%	0.759	75%	0.745	S	S	*	*			trans	-86.8	-4	-166.1	-72.5	-59	0	0	0	116.3	F433	D431-F433 PolarHBondContact O-N 2.94Å
432	S	31.1	Very low	33	Very low	105 Å²	105	137.2 Å²	137.2	73%	0.734	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	16.7	-169.8	-168.6	0	0	0	0	115.8
433	F	30.5	Very low	32.4	Very low	203 Å²	203	142.8 Å²	142.8	89%	0.89	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	16.5	-176.6	-78.1	-70.6	0	0	0	116.1	D431 A435	D431-F433 PolarHBondContact O-N 2.94Å; F433-A435 PolarHBondContact O-N 3.05Å
434	R	29.5	Very low	31.5	Very low	233 Å²	233	144.2 Å²	144.2	88%	0.879	78%	0.784	S	S	*	*			trans	-80.2	100.4	161.4	-76.2	-173.6	70.2	173.4	2.5	110.5
435	A	28.2	Very low	30.7	Very low	98 Å²	98	146.8 Å²	146.8	81%	0.81	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-66	138.2	165.3	0	0	0	0	0	110.3	F433	F433-A435 PolarHBondContact O-N 3.05Å
436	K	27.5	Very low	30.1	Very low	208 Å²	208	147 Å²	147	90%	0.904	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-82.3	142.4	164.8	-84.9	-175.3	170.4	-175.3	0	109.6
437	E	30.1	Very low	29.4	Very low	198 Å²	198	150.1 Å²	150.1	93%	0.925	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-88.7	154.5	163.4	-63.3	-177.7	125.6	0	0	110.7
438	G	29.7	Very low	29.1	Very low	70 Å²	70	154.1 Å²	154.1	72%	0.722	79%	0.794	S	S	*	*			trans	110.6	98.9	167.9	0	0	0	0	0	115.8
439	E	25	Very low	28.7	Very low	204 Å²	204	154.3 Å²	154.3	95%	0.953	80%	0.803	S	S	*	*				179.3	167.7	109.4	-92.8	-167.2	125	0	0	111.1
440	Q	27.1	Very low	28.1	Very low	188 Å²	188	158.6 Å²	158.6	88%	0.879	80%	0.804	S	S	*	*			trans	-111.7	144.9	-169.8	-63.2	176.8	-69.8	0	0	114.2
441	K	26.9	Very low	27.8	Very low	219 Å²	219	156.3 Å²	156.3	95%	0.952	80%	0.799	S	S	*	*			trans	158.9	143.2	141.3	-89.3	160.5	-176.4	179.4	0	108.9
442	G	24.5	Very low	27.5	Very low	64 Å²	64	156.8 Å²	156.8	66%	0.66	80%	0.801	S	S	*	*			cis	156.1	139.6	-5.9	0	0	0	0	0	110
443	E	27.4	Very low	27.2	Very low	192 Å²	192	155.1 Å²	155.1	90%	0.897	79%	0.794	S	S	*	*			trans	64.7	140	165.6	-73.1	152.6	-154.6	0	0	117
444	D	25.6	Very low	27	Very low	136 Å²	136	152.3 Å²	152.3	73%	0.727	79%	0.788	S	S	*	*			cis	-161.7	174.4	-5.4	-142.6	-15.6	0	0	0	114.4
445	I	26.8	Very low	26.8	Very low	132 Å²	132	146.3 Å²	146.3	68%	0.677	78%	0.782	S	S	*	*			trans	74.2	104.7	153.9	-66.4	159.7	0	0	0	120.1
446	E	26.5	Very low	26.8	Very low	146 Å²	146	152.6 Å²	152.6	68%	0.682	79%	0.785	S	S	*	*			trans	56.7	146.1	136.3	-62.6	-161.6	133.5	0	0	122.5
447	K	26	Very low	26.7	Very low	153 Å²	153	152.3 Å²	152.3	67%	0.665	78%	0.783	S	S	*	*			cis	-155.2	152.9	20.8	-137.2	162.3	-176.8	108	0	113.4
448	L	27.2	Very low	26.6	Very low	142 Å²	142	154.9 Å²	154.9	74%	0.743	79%	0.785	S	S	*	*			trans	72.1	82.3	157.8	-73.4	155.4	0	0	0	121.8
449	T	26.4	Very low	26.5	Very low	130 Å²	130	158.9 Å²	158.9	80%	0.798	79%	0.788	S	S	*	*				70.7	132.3	125.8	49	0	0	0	0	123.7
450	W	22.2	Very low	26.6	Very low	206 Å²	206	160.9 Å²	160.9	78%	0.78	79%	0.787	S	S	*	*			trans	-102.1	-175.1	179.9	-82.9	105.9	0	0	0	111.8	A453	W450-A453 HydrophobicContact CH2-CB 3.72Å; W450-A453 HydrophobicContact CZ3-CB 3.68Å
451	P	33.1	Very low	26.9	Very low	113 Å²	113	157.7 Å²	157.7	73%	0.734	77%	0.774	S	S	*	*			cis	-114.1	173.5	4.6	42.2	-29.4	0	0	0	114
452	N	26.4	Very low	27	Very low	153 Å²	153	153.4 Å²	153.4	82%	0.818	76%	0.761	S	S	*	*			cis	-143.4	159.9	18.9	-140	-5.3	0	0	0	111
453	A	25.7	Very low	27.6	Very low	70 Å²	70	155.3 Å²	155.3	58%	0.579	76%	0.764	S	S	*	*			trans	-98.8	144.3	-173.4	0	0	0	0	0	114.1	W450	W450-A453 HydrophobicContact CH2-CB 3.72Å; W450-A453 HydrophobicContact CZ3-CB 3.68Å
454	D	25.5	Very low	28	Very low	144 Å²	144	155.3 Å²	155.3	77%	0.77	76%	0.757	S	S	*	*				-155.4	143.4	126.4	-159.3	3.3	0	0	0	111.4
455	S	26	Very low	28.5	Very low	107 Å²	107	152.7 Å²	152.7	75%	0.748	75%	0.746	S	S	*	*			trans	-120.7	84	-164.3	62.8	0	0	0	0	114	K457	S455-K457 PolarHBondContact O-N 3.28Å
456	R	26.8	Very low	28.8	Very low	230 Å²	230	149 Å²	149	87%	0.868	73%	0.732	S	S	*	*			trans	-75.6	115.4	176.9	-67.6	-173.6	179.1	-179.2	0.9	111.9
457	K	26.5	Very low	29.2	Very low	201 Å²	201	150.5 Å²	150.5	87%	0.874	73%	0.733	S	S	*	*			trans	-57.4	134.6	172.4	-81.6	179.1	175.6	171.9	0	111.1	S455 I459	S455-K457 PolarHBondContact O-N 3.28Å; K457-I459 PolarHBondContact O-N 2.86Å
458	R	27.7	Very low	29.7	Very low	252 Å²	252	146.6 Å²	146.6	95%	0.951	72%	0.724	S	S	*	*			trans	-65.8	125.5	175.8	-105.8	177.4	-83.4	-165.9	-5.7	110.9
459	I	26.3	Very low	30.2	Very low	155 Å²	155	144 Å²	144	80%	0.795	71%	0.711	S	S	*	*			trans	-106.6	146	162	-64	178.2	0	0	0	107.4	K457 M461	K457-I459 PolarHBondContact O-N 2.86Å; I459-M461 PolarHBondContact O-N 3.38Å
460	R	28.5	Very low	30.8	Very low	245 Å²	245	140 Å²	140	93%	0.925	69%	0.691	S	S	*	*			trans	-64.3	126.2	-178.6	-131.9	179.7	-165.9	108.4	-1.1	109.5
461	M	32.8	Very low	31.6	Very low	122 Å²	122	133.9 Å²	133.9	60%	0.601	68%	0.676	S	S	*	*			trans	-109.9	119.7	-176.8	-174.2	71.4	170	0	0	109.2	I459	I459-M461 PolarHBondContact O-N 3.38Å
462	D	29.3	Very low	31.8	Very low	129 Å²	129	131.9 Å²	131.9	69%	0.69	67%	0.665	S	S	*	*			trans	-74.9	126.6	174.8	-67.4	-40.8	0	0	0	110	Y464 T465	D462-Y464 VanDerWaalsContact C-N 3.28Å; D462-Y464 PolarHBondContact O-N 2.72Å; D462-T465 PolarHBondContact O-N 2.97Å
463	S	37.9	Very low	32	Very low	103 Å²	103	129.9 Å²	129.9	72%	0.72	65%	0.654	S	S	*	*	H	α-helix	trans	-63.3	-28.5	-163.1	50.1	0	0	0	0	114.7	S466 Y467	S463-S466 PolarHBondContact O-N 3.02Å; S463-Y467 PolarHBondContact O-N 3.49Å
464	Y	34.2	Very low	32.2	Very low	193 Å²	193	133.4 Å²	133.4	76%	0.757	66%	0.662	S	S	*	*	H	α-helix	trans	-64.6	-46	-176.9	-157.2	-88	0	0	0	112.4	D462 S466 Y467 C468	D462-Y464 VanDerWaalsContact C-N 3.28Å; D462-Y464 PolarHBondContact O-N 2.72Å; Y464-S466 VanDerWaalsContact C-N 3.27Å; Y464-S466 PolarHBondContact O-N 2.76Å; Y464-Y467 PolarHBondContact O-N 3.24Å; Y464-C468 PolarHBondContact O-N 3.01Å
465	T	36.2	Very low	32.6	Very low	80 Å²	80	135.2 Å²	135.2	49%	0.491	67%	0.666	S	S	.	*	H	α-helix	trans	-65.5	-32.8	178.7	-44	0	0	0	0	111.8	D462 Y467 N469	D462-T465 PolarHBondContact O-N 2.97Å; T465-Y467 VanDerWaalsContact C-N 3.33Å; T465-Y467 PolarHBondContact O-N 3.32Å; T465-N469 PolarHBondContact O-N 3.04Å
466	S	33.8	Very low	32.9	Very low	56 Å²	56	134.9 Å²	134.9	39%	0.392	66%	0.664	S	S	.	*	H	α-helix	trans	-68.3	-31.3	178.6	-161.5	0	0	0	0	112.8	S463 Y464 A470	S463-S466 PolarHBondContact O-N 3.02Å; Y464-S466 VanDerWaalsContact C-N 3.27Å; Y464-S466 PolarHBondContact O-N 2.76Å; S466-A470 VanDerWaalsContact O-CB 3.24Å; S466-A470 WeakPolarHBondContact O-CB 3.41Å; S466-A470 PolarHBondContact O-N 3.42Å
467	Y	34.7	Very low	33.1	Very low	177 Å²	177	128.3 Å²	128.3	69%	0.694	66%	0.659	S	S	*	*	H	α-helix	trans	-72.5	-43.8	178.4	-165.9	-95.8	0	0	0	111.4	S463 Y464 T465 N469 A470 V471	S463-Y467 PolarHBondContact O-N 3.49Å; Y464-Y467 PolarHBondContact O-N 3.24Å; T465-Y467 VanDerWaalsContact C-N 3.33Å; T465-Y467 PolarHBondContact O-N 3.32Å; Y467-N469 VanDerWaalsContact C-N 3.33Å; Y467-N469 PolarHBondContact O-N 3.46Å; Y467-A470 PolarHBondContact O-N 2.96Å; Y467-V471 HydrophobicContact CD1-CG2 4.04Å; Y467-V471 HydrophobicContact CE1-CG2 3.74Å; Y467-V471 WeakPolarHBondContact O-CB 3.26Å; Y467-V471 WeakPolarHBondContact O-CG2 3.45Å; Y467-V471 PolarHBondContact O-N 3.08Å
468	C	37.4	Very low	33	Very low	71 Å²	71	124.2 Å²	124.2	48%	0.48	66%	0.655	S	S	.	*	H	α-helix	trans	-58.5	-42.5	177.1	-64.7	0	0	0	0	112.6	Y464 S472	Y464-C468 PolarHBondContact O-N 3.01Å; C468-S472 PolarHBondContact O-N 2.9Å
469	N	37.8	Very low	33	Very low	88 Å²	88	120.6 Å²	120.6	47%	0.471	65%	0.649	S	S	.	*	H	α-helix	trans	-76.6	-35.7	178.7	-67.5	16.5	0	0	0	112.5	T465 Y467 V471 S472 D473	T465-N469 PolarHBondContact O-N 3.04Å; Y467-N469 VanDerWaalsContact C-N 3.33Å; Y467-N469 PolarHBondContact O-N 3.46Å; N469-V471 VanDerWaalsContact C-N 3.28Å; N469-V471 PolarHBondContact O-N 3.42Å; N469-S472 WeakPolarHBondContact CA-OG 3.3Å; N469-S472 PolarHBondContact O-N 2.9Å; N469-S472 PolarHBondContact O-OG 3.3Å; N469-D473 WeakPolarHBondContact O-CB 3.31Å; N469-D473 PolarHBondContact O-N 2.88Å; N469-D473 VanDerWaalsContact O-N 3.12Å
470	A	37.4	Very low	33.1	Very low	46 Å²	46	120.6 Å²	120.6	38%	0.38	65%	0.649	S	S	.	*	H	α-helix	trans	-61.9	-38.5	174.3	0	0	0	0	0	111.7	S466 Y467 D473 L474	S466-A470 VanDerWaalsContact O-CB 3.24Å; S466-A470 WeakPolarHBondContact O-CB 3.41Å; S466-A470 PolarHBondContact O-N 3.42Å; Y467-A470 PolarHBondContact O-N 2.96Å; A470-D473 PolarHBondContact O-N 3.01Å; A470-L474 WeakPolarHBondContact O-CB 3.45Å; A470-L474 PolarHBondContact O-N 3.03Å; A470-L474 VanDerWaalsContact O-N 3.09Å
471	V	39.7	Very low	32.8	Very low	76 Å²	76	115.4 Å²	115.4	46%	0.461	64%	0.64	S	S	.	*	H	α-helix	trans	-73.4	-28	177.9	173.9	0	0	0	0	112.7	Y467 N469	Y467-V471 HydrophobicContact CD1-CG2 4.04Å; Y467-V471 HydrophobicContact CE1-CG2 3.74Å; Y467-V471 WeakPolarHBondContact O-CB 3.26Å; Y467-V471 WeakPolarHBondContact O-CG2 3.45Å; Y467-V471 PolarHBondContact O-N 3.08Å; N469-V471 VanDerWaalsContact C-N 3.28Å; N469-V471 PolarHBondContact O-N 3.42Å
472	S	36.4	Very low	32.4	Very low	72 Å²	72	117.7 Å²	117.7	50%	0.503	65%	0.651	S	S	.	*	H	α-helix	trans	-69.7	-38.2	170.6	58.8	0	0	0	0	112.5	C468 N469	C468-S472 PolarHBondContact O-N 2.9Å; N469-S472 WeakPolarHBondContact CA-OG 3.3Å; N469-S472 PolarHBondContact O-N 2.9Å; N469-S472 PolarHBondContact O-OG 3.3Å
473	D	31.8	Very low	32.1	Very low	110 Å²	110	115.8 Å²	115.8	59%	0.588	65%	0.648	S	S	*	*	H	α-helix	trans	-88.3	-24.2	-168	-61.6	4.7	0	0	0	112.4	N469 A470 H475 S476	N469-D473 WeakPolarHBondContact O-CB 3.31Å; N469-D473 PolarHBondContact O-N 2.88Å; N469-D473 VanDerWaalsContact O-N 3.12Å; A470-D473 PolarHBondContact O-N 3.01Å; D473-H475 PolarHBondContact O-N 3.36Å; D473-S476 PolarHBondContact O-N 2.95Å; D473-S476 PolarHBondContact O-OG 3.43Å
474	L	29.9	Very low	31.5	Very low	144 Å²	144	117.3 Å²	117.3	75%	0.754	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-12.1	178.6	-103.3	155.3	0	0	0	114.9	A470	A470-L474 WeakPolarHBondContact O-CB 3.45Å; A470-L474 PolarHBondContact O-N 3.03Å; A470-L474 VanDerWaalsContact O-N 3.09Å
475	H	33.4	Very low	31	Very low	183 Å²	183	116.6 Å²	116.6	85%	0.847	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	9	-179.3	-113.5	-54.5	0	0	0	114.8	D473	D473-H475 PolarHBondContact O-N 3.36Å
476	S	31.8	Very low	30.5	Very low	100 Å²	100	117 Å²	117	70%	0.699	67%	0.665	S	S	*	*	S	Bend	trans	-137.2	58.8	-178.3	53.1	0	0	0	0	114.2	D473	D473-S476 PolarHBondContact O-N 2.95Å; D473-S476 PolarHBondContact O-OG 3.43Å
477	A	30.9	Very low	30.2	Very low	92 Å²	92	122.1 Å²	122.1	76%	0.76	68%	0.682	S	S	*	*			trans	-147.9	48.6	-178.9	0	0	0	0	0	116.5
478	S	25.5	Very low	29.7	Very low	114 Å²	114	123.3 Å²	123.3	80%	0.797	70%	0.697	S	S	*	*			trans	-170.7	133.7	168.3	55.4	0	0	0	0	109.7
479	E	27	Very low	29.1	Very low	177 Å²	177	123.7 Å²	123.7	83%	0.827	71%	0.713	S	S	*	*			cis	-141.6	142.9	1.3	-56.9	-177.6	110.9	0	0	112.2
480	I	28.6	Very low	28.4	Very low	155 Å²	155	128.2 Å²	128.2	80%	0.795	74%	0.736	S	S	*	*			trans	40.2	103.9	135	-52.2	179.3	0	0	0	121.5
481	D	23.2	Very low	27.8	Very low	136 Å²	136	129.4 Å²	129.4	73%	0.727	75%	0.753	S	S	*	*				43.7	130.8	126.1	-163.6	26.9	0	0	0	124.2
482	M	23.7	Very low	27.1	Very low	169 Å²	169	132.6 Å²	132.6	83%	0.833	77%	0.767	S	S	*	*			trans	-164.1	123.8	133.2	-166.4	57	61.3	0	0	114.5
483	S	22.6	Very low	26.9	Very low	90 Å²	90	141 Å²	141	63%	0.629	79%	0.788	S	S	*	*			trans	47.2	99.7	151.4	-164.8	0	0	0	0	122.7
484	V	25.7	Very low	26.7	Very low	134 Å²	134	144.8 Å²	144.8	81%	0.812	80%	0.799	S	S	*	*				8.8	128.2	122.4	179.4	0	0	0	0	119
485	K	23.3	Very low	26.6	Very low	178 Å²	178	141.2 Å²	141.2	77%	0.774	80%	0.797	S	S	*	*				-150.1	138	121.7	-154.6	-172.5	-175.6	-155.1	0	110.9	E487	K485-E487 IonicContact NZ-OE1 2.72Å; K485-E487 PolarHBondContact NZ-OE1 3.18Å
486	A	26.4	Very low	26.3	Very low	89 Å²	89	138.6 Å²	138.6	74%	0.736	80%	0.8	S	S	*	*			trans	-119.4	142.9	172.4	0	0	0	0	0	110.2
487	E	26.6	Very low	26.2	Very low	163 Å²	163	143.4 Å²	143.4	76%	0.762	81%	0.811	S	S	*	*			trans	-139.1	143.4	161.8	-74.1	-173.1	-177.3	0	0	109.6	K485	K485-E487 IonicContact NZ-OE1 2.72Å; K485-E487 PolarHBondContact NZ-OE1 3.18Å
488	M	25.4	Very low	26.2	Very low	203 Å²	203	142.3 Å²	142.3	100%	1	81%	0.808	S	S	*	*			trans	-92.6	128.7	172.5	-72.4	-179.2	170	0	0	109.5
489	G	24.6	Very low	26.4	Very low	79 Å²	79	142.5 Å²	142.5	81%	0.814	81%	0.81	S	S	*	*			trans	-118.9	132.2	170.8	0	0	0	0	0	110.6
490	L	23.1	Very low	26.8	Very low	183 Å²	183	140.7 Å²	140.7	96%	0.958	81%	0.805	S	S	*	*			trans	-91.5	117.7	-167.5	-176.1	68.7	0	0	0	113.2
491	G	24.3	Very low	26.9	Very low	71 Å²	71	140.8 Å²	140.8	73%	0.732	80%	0.802	S	S	*	*			trans	72.6	120.6	140.5	0	0	0	0	0	120.3
492	D	25.3	Very low	27.4	Very low	143 Å²	143	140 Å²	140	77%	0.765	79%	0.794	S	S	*	*				-141.2	148.9	116.9	-166.6	11.2	0	0	0	109.5
493	R	32.6	Very low	28.1	Very low	247 Å²	247	141 Å²	141	93%	0.932	79%	0.788	S	S	*	*			trans	-109.9	105.8	179.4	-92.9	-175.7	168.3	-178.1	-3	109.5
494	K	28.1	Very low	29.2	Very low	190 Å²	190	144.2 Å²	144.2	83%	0.826	79%	0.788	S	S	*	*			trans	-139.1	121.5	178.2	-139.2	165.2	-169.7	165.3	0	113.5
495	G	26.3	Very low	30.6	Very low	70 Å²	70	140 Å²	140	72%	0.722	76%	0.761	S	S	*	*			trans	60.3	90.1	159.8	0	0	0	0	0	117.4	H497	G495-H497 PolarHBondContact O-N 3.33Å
496	S	28.1	Very low	32.6	Very low	128 Å²	128	139 Å²	139	90%	0.895	76%	0.759	S	S	*	*			trans	-75.3	65.3	166.3	-177.1	0	0	0	0	112.2
497	H	29.7	Very low	34.8	Very low	200 Å²	200	136 Å²	136	93%	0.926	73%	0.731	S	S	*	*			trans	-119.1	60.6	165.9	-100.1	-93.8	0	0	0	109.1	G495	G495-H497 PolarHBondContact O-N 3.33Å
498	G	30.6	Very low	37.3	Very low	69 Å²	69	133.5 Å²	133.5	71%	0.711	72%	0.717	S	S	*	*			trans	-126	23.2	-175.1	0	0	0	0	0	114.1	L500	G498-L500 VanDerWaalsContact C-N 3.29Å; G498-L500 PolarHBondContact O-N 3.38Å
499	S	29.8	Very low	39.9	Very low	118 Å²	118	128.6 Å²	128.6	83%	0.825	70%	0.7	S	S	*	*	S	Bend	trans	-79.9	71.2	-177.2	-177.6	0	0	0	0	112.6	E501	S499-E501 PolarHBondContact O-N 3.33Å; S499-E501 VanDerWaalsContact O-N 3.15Å
500	L	34.5	Very low	42.5	Very low	139 Å²	139	127.2 Å²	127.2	73%	0.728	67%	0.673	S	S	*	*			trans	44.5	54.4	152.9	-70.7	164.2	0	0	0	116.8	G498 E502	G498-L500 VanDerWaalsContact C-N 3.29Å; G498-L500 PolarHBondContact O-N 3.38Å; L500-E502 HydrophobicContact CD2-CG 3.95Å; L500-E502 PolarHBondContact O-N 3.43Å
501	E	31	Very low	45.3	Very low	157 Å²	157	118.7 Å²	118.7	73%	0.734	63%	0.629	S	S	*	*			trans	-71	65.7	154.3	-94.6	-166.3	112.5	0	0	110.1	S499 W503	S499-E501 PolarHBondContact O-N 3.33Å; S499-E501 VanDerWaalsContact O-N 3.15Å; E501-W503 PolarHBondContact O-N 3.48Å; E501-W503 PolarHBondContact OE1-NE1 3.27Å
502	E	34.1	Very low	48.1	Very low	119 Å²	119	116.7 Å²	116.7	56%	0.556	60%	0.603	S	S	*	*			trans	-74.9	74.4	167	-69.7	-154.2	128.7	0	0	109.6	L500 Y504 K640	L500-E502 HydrophobicContact CD2-CG 3.95Å; L500-E502 PolarHBondContact O-N 3.43Å; E502-Y504 VanDerWaalsContact C-N 3.34Å; E502-Y504 PolarHBondContact O-N 3.33Å; E502-K640 IonicContact OE1-NZ 3.27Å
503	W	37.6	Very low	50.9	Low	190 Å²	190	110.5 Å²	110.5	72%	0.72	57%	0.57	S	S	*	*			trans	-58	93.4	171.5	-88.6	62.6	0	0	0	110.6	E501 D505	E501-W503 PolarHBondContact O-N 3.48Å; E501-W503 PolarHBondContact OE1-NE1 3.27Å; W503-D505 PolarHBondContact O-N 3.23Å
504	Y	46.7	Very low	53.4	Low	158 Å²	158	98.8 Å²	98.8	62%	0.62	53%	0.526	S	S	*	.			trans	-63.5	107.1	145.2	-75.9	-99.7	0	0	0	106.6	E502 Q506 P593	E502-Y504 VanDerWaalsContact C-N 3.34Å; E502-Y504 PolarHBondContact O-N 3.33Å; Y504-Q506 PolarHBondContact O-N 3.48Å; Y504-P593 HydrophobicContact CE1-CG 4.42Å
505	D	54.8	Low	56.3	Low	47 Å²	47	89.7 Å²	89.7	25%	0.251	49%	0.486	S	S	.	.			trans	-55.9	85.3	168	-89.3	-50.4	0	0	0	109	R181 W503 R637	R181-D505 IonicContact CZ-OD2 3.45Å; R181-D505 VanDerWaalsContact CZ-OD2 3.32Å; R181-D505 IonicContact NH1-OD2 3.52Å; R181-D505 PolarHBondContact NH1-OD2 2.95Å; R181-D505 VanDerWaalsContact NH2-CG 3.29Å; R181-D505 IonicContact NH2-OD1 3.72Å; R181-D505 PolarHBondContact NH2-OD1 3.5Å; R181-D505 IonicContact NH2-OD2 3.14Å; R181-D505 PolarHBondContact NH2-OD2 3.41Å; W503-D505 PolarHBondContact O-N 3.23Å; D505-R637 PolarHBondContact O-NH1 2.99Å; D505-R637 PolarHBondContact O-NH2 3.37Å
506	Q	64.8	Low	59.4	Low	157 Å²	157	89 Å²	89	73%	0.734	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-85.4	133.8	171.1	-65.3	-162.8	10.7	0	0	108.3	Y504 K508	Y504-Q506 PolarHBondContact O-N 3.48Å; Q506-K508 PolarHBondContact O-N 3.45Å
507	D	71.9	Confident	62.2	Low	26 Å²	26	86.1 Å²	86.1	14%	0.139	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-59	125.3	173.9	-68.8	-18.1	0	0	0	108.4	V511 T595 P596 S597	D507-V511 HydrophobicContact CB-CB 4.46Å; D507-V511 HydrophobicContact CB-CG1 4.23Å; D507-T595 WeakPolarHBondContact OD2-CB 3.47Å; D507-P596 WeakPolarHBondContact OD2-CD 3.43Å; D507-S597 WeakPolarHBondContact OD1-CB 3.26Å; D507-S597 PolarHBondContact OD1-OG 3.45Å; D507-S597 VanDerWaalsContact OD2-CB 3.27Å; D507-S597 WeakPolarHBondContact OD2-CB 3.38Å; D507-S597 PolarHBondContact OD2-N 2.9Å; D507-S597 PolarHBondContact OD2-OG 3.18Å; D507-S597 VanDerWaalsContact OD2-OG 3.05Å
508	K	80.8	Confident	65	Low	110 Å²	110	76.6 Å²	76.6	48%	0.478	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-49	146.4	171.2	-63	-173.7	176.4	-177.1	0	109.8	P190 Q506 E510 V511 S512	P190-K508 HydrophobicContact CG-CD 4.47Å; Q506-K508 PolarHBondContact O-N 3.45Å; K508-E510 VanDerWaalsContact C-N 3.26Å; K508-E510 WeakPolarHBondContact CB-OE2 3.37Å; K508-E510 PolarHBondContact O-N 3.29Å; K508-E510 VanDerWaalsContact O-N 3.1Å; K508-V511 HydrophobicContact CB-CB 4.33Å; K508-V511 HydrophobicContact CB-CG2 4.06Å; K508-V511 CarbonylContact O-C 3.56Å; K508-V511 WeakPolarHBondContact O-CA 3.3Å; K508-V511 WeakPolarHBondContact O-CB 3.41Å; K508-V511 PolarHBondContact O-N 2.93Å; K508-S512 PolarHBondContact O-N 3.44Å
509	P	78.4	Confident	68	Low	99 Å²	99	73.3 Å²	73.3	64%	0.643	36%	0.358	S	S	*	.	H	α-helix	trans	-56.9	-35.3	-168.9	20.6	-33	0	0	0	114	L513	P509-L513 WeakPolarHBondContact O-CB 3.45Å; P509-L513 PolarHBondContact O-N 3.48Å
510	E	80.1	Confident	71	Confident	50 Å²	50	70.5 Å²	70.5	23%	0.234	33%	0.333	C	S	.	.	H	α-helix	trans	-69.7	-36.9	176.9	-35.5	81.1	173.6	0	0	111.8	V191 I258 I262 K508 L514	V191-E510 HydrophobicContact CG2-CB 3.49Å; V191-E510 VanDerWaalsContact CG2-CB 3.49Å; V191-E510 HydrophobicContact CG2-CG 4.18Å; I258-E510 HydrophobicContact CG2-CB 4Å; I258-E510 HydrophobicContact CG2-CG 4.48Å; I262-E510 HydrophobicContact CD1-CB 4.39Å; I262-E510 HydrophobicContact CD1-CG 3.54Å; I262-E510 HydrophobicContact CG1-CG 4.02Å; K508-E510 VanDerWaalsContact C-N 3.26Å; K508-E510 WeakPolarHBondContact CB-OE2 3.37Å; K508-E510 PolarHBondContact O-N 3.29Å; K508-E510 VanDerWaalsContact O-N 3.1Å; E510-L514 WeakPolarHBondContact O-CB 3.44Å; E510-L514 PolarHBondContact O-N 3.38Å
511	V	81.6	Confident	73.7	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.03	31%	0.306	C	S	.	.	H	α-helix	trans	-71.5	-43.4	177.1	178.3	0	0	0	0	110.7	L185 P190 D507 K508 L513 L514 F515	L185-V511 HydrophobicContact CD2-CG1 3.48Å; L185-V511 VanDerWaalsContact CD2-CG1 3.48Å; P190-V511 HydrophobicContact CB-CG2 3.63Å; P190-V511 HydrophobicContact CG-CG2 3.22Å; D507-V511 HydrophobicContact CB-CB 4.46Å; D507-V511 HydrophobicContact CB-CG1 4.23Å; K508-V511 HydrophobicContact CB-CB 4.33Å; K508-V511 HydrophobicContact CB-CG2 4.06Å; K508-V511 CarbonylContact O-C 3.56Å; K508-V511 WeakPolarHBondContact O-CA 3.3Å; K508-V511 WeakPolarHBondContact O-CB 3.41Å; K508-V511 PolarHBondContact O-N 2.93Å; V511-L513 VanDerWaalsContact C-N 3.32Å; V511-L513 PolarHBondContact O-N 3.46Å; V511-L514 WeakPolarHBondContact O-CB 3.48Å; V511-L514 PolarHBondContact O-N 2.89Å; V511-F515 HydrophobicContact CG1-CD2 3.67Å; V511-F515 HydrophobicContact CG1-CE2 3.87Å; V511-F515 WeakPolarHBondContact O-CD2 3.29Å; V511-F515 PolarHBondContact O-N 2.93Å
512	S	83	Confident	76.7	Confident	28 Å²	28	58 Å²	58	20%	0.196	27%	0.271	C	S	.	.	H	α-helix	trans	-56.2	-48	172.2	178.9	0	0	0	0	110.4	K508 L514 F515 Q516	K508-S512 PolarHBondContact O-N 3.44Å; S512-L514 PolarHBondContact O-N 3.38Å; S512-F515 PolarHBondContact O-N 3.31Å; S512-Q516 WeakPolarHBondContact O-CB 3.27Å; S512-Q516 WeakPolarHBondContact O-CG 3.44Å; S512-Q516 PolarHBondContact O-N 3.04Å; S512-Q516 PolarHBondContact O-NE2 3.23Å; S512-Q516 PolarHBondContact OG-NE2 2.95Å; S512-Q516 VanDerWaalsContact OG-NE2 3.12Å
513	L	84	Confident	79.5	Confident	13 Å²	13	52.3 Å²	52.3	7%	0.068	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-36.5	178.8	-157.8	159.9	0	0	0	112.6	K257 I258 E261 P509 V511 F517	K257-L513 HydrophobicContact CD-CD2 4.02Å; K257-L513 HydrophobicContact CG-CD2 4.47Å; I258-L513 HydrophobicContact CG1-CD2 3.79Å; E261-L513 HydrophobicContact CB-CD1 4.09Å; E261-L513 HydrophobicContact CG-CD1 4.49Å; E261-L513 WeakPolarHBondContact OE2-CD1 3.29Å; P509-L513 WeakPolarHBondContact O-CB 3.45Å; P509-L513 PolarHBondContact O-N 3.48Å; V511-L513 VanDerWaalsContact C-N 3.32Å; V511-L513 PolarHBondContact O-N 3.46Å; L513-F517 HydrophobicContact CD2-CD2 4.5Å; L513-F517 HydrophobicContact CD2-CE2 3.97Å; L513-F517 WeakPolarHBondContact O-CD2 3.4Å
514	L	86.2	Confident	82.3	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-61.8	-53.5	170.9	175.7	79.5	0	0	0	111.7	L195 L198 M254 E510 V511 S512 Q516 F517	L195-L514 HydrophobicContact CD2-CD1 4.14Å; L195-L514 HydrophobicContact CG-CD1 4.44Å; L198-L514 HydrophobicContact CD1-CD1 3.82Å; L198-L514 HydrophobicContact CD2-CD1 4.07Å; L198-L514 HydrophobicContact CG-CD1 3.87Å; M254-L514 HydrophobicContact CE-CD1 3.88Å; E510-L514 WeakPolarHBondContact O-CB 3.44Å; E510-L514 PolarHBondContact O-N 3.38Å; V511-L514 WeakPolarHBondContact O-CB 3.48Å; V511-L514 PolarHBondContact O-N 2.89Å; S512-L514 PolarHBondContact O-N 3.38Å; L514-Q516 VanDerWaalsContact C-N 3.31Å; L514-Q516 PolarHBondContact O-N 3.02Å; L514-F517 PolarHBondContact O-N 2.95Å
515	F	88.9	Confident	84.6	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-71.9	-22.5	-175.4	-82.6	-76.4	0	0	0	113.3	V180 I184 L185 V511 S512 F517 L518 Q519 P596 F600	V180-F515 HydrophobicContact CG1-CE1 4.08Å; V180-F515 HydrophobicContact CG1-CE2 4.37Å; V180-F515 HydrophobicContact CG1-CZ 3.58Å; I184-F515 HydrophobicContact CD1-CZ 3.91Å; I184-F515 HydrophobicContact CG2-CE2 4.13Å; I184-F515 HydrophobicContact CG2-CZ 4.38Å; L185-F515 HydrophobicContact CD2-CE2 3.9Å; V511-F515 HydrophobicContact CG1-CD2 3.67Å; V511-F515 HydrophobicContact CG1-CE2 3.87Å; V511-F515 WeakPolarHBondContact O-CD2 3.29Å; V511-F515 PolarHBondContact O-N 2.93Å; S512-F515 PolarHBondContact O-N 3.31Å; F515-F517 VanDerWaalsContact C-N 3.33Å; F515-F517 PolarHBondContact O-N 3.48Å; F515-L518 HydrophobicContact CD1-CB 4.36Å; F515-L518 HydrophobicContact CD1-CD1 3.76Å; F515-L518 HydrophobicContact CE1-CD1 3.77Å; F515-L518 PolarHBondContact O-N 2.95Å; F515-Q519 WeakPolarHBondContact O-CB 3.32Å; F515-Q519 PolarHBondContact O-N 2.8Å; F515-P596 HydrophobicContact CB-CB 3.74Å; F515-F600 HydrophobicContact CD1-CB 4.03Å; F515-F600 AromaticContact CD1-CD1 3.83Å; F515-F600 HydrophobicContact CD1-CD1 3.83Å; F515-F600 AromaticContact CD1-CG 3.95Å; F515-F600 HydrophobicContact CD1-CG 3.95Å; F515-F600 AromaticContact CE1-CD1 3.61Å; F515-F600 HydrophobicContact CE1-CD1 3.61Å; F515-F600 AromaticContact CE1-CE1 3.99Å; F515-F600 HydrophobicContact CE1-CE1 3.99Å; F515-F600 HydrophobicContact CE1-CG 4.19Å
516	Q	89.8	Confident	86.5	Confident	56 Å²	56	34.7 Å²	34.7	26%	0.262	18%	0.179	S	C	.	.	H	α-helix	trans	-51.4	-48.6	168.2	-81.5	161	36.9	0	0	112.2	V56 S512 L514 Q519 I520 P596	V56-Q516 HydrophobicContact CB-CG 4.33Å; V56-Q516 HydrophobicContact CG1-CB 3.79Å; V56-Q516 HydrophobicContact CG1-CG 3.91Å; V56-Q516 WeakPolarHBondContact CG1-O 3.35Å; V56-Q516 HydrophobicContact CG2-CB 4.36Å; V56-Q516 HydrophobicContact CG2-CG 3.69Å; S512-Q516 WeakPolarHBondContact O-CB 3.27Å; S512-Q516 WeakPolarHBondContact O-CG 3.44Å; S512-Q516 PolarHBondContact O-N 3.04Å; S512-Q516 PolarHBondContact O-NE2 3.23Å; S512-Q516 PolarHBondContact OG-NE2 2.95Å; S512-Q516 VanDerWaalsContact OG-NE2 3.12Å; L514-Q516 VanDerWaalsContact C-N 3.31Å; L514-Q516 PolarHBondContact O-N 3.02Å; Q516-Q519 PolarHBondContact O-N 3.44Å; Q516-I520 WeakPolarHBondContact O-CG1 3.41Å; Q516-I520 PolarHBondContact O-N 2.7Å; Q516-I520 VanDerWaalsContact O-N 3.12Å; Q516-P596 HydrophobicContact CG-CG 4.32Å
517	F	87.1	Confident	87.9	Confident	66 Å²	66	27.2 Å²	27.2	29%	0.289	14%	0.144	S	C	.	.	H	α-helix	trans	-68.2	-37.1	179.5	-75.7	-87.1	0	0	0	112.7	M254 K257 L513 L514 F515 L521	M254-F517 HydrophobicContact CE-CB 3.76Å; M254-F517 HydrophobicContact CE-CD2 3.53Å; M254-F517 HydrophobicContact CE-CE2 4.33Å; M254-F517 HydrophobicContact CE-CG 3.82Å; M254-F517 HydrophobicContact SD-CB 4.07Å; M254-F517 HydrophobicContact SD-CD2 4.21Å; M254-F517 HydrophobicContact SD-CG 4.06Å; K257-F517 HydrophobicContact CD-CE2 3.95Å; K257-F517 HydrophobicContact CD-CZ 3.88Å; L513-F517 HydrophobicContact CD2-CD2 4.5Å; L513-F517 HydrophobicContact CD2-CE2 3.97Å; L513-F517 WeakPolarHBondContact O-CD2 3.4Å; L514-F517 PolarHBondContact O-N 2.95Å; F515-F517 VanDerWaalsContact C-N 3.33Å; F515-F517 PolarHBondContact O-N 3.48Å; F517-L521 PolarHBondContact O-N 3.05Å
518	L	89.9	Confident	89	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-66.5	-39	174	-78.4	171.4	0	0	0	112	L198 F201 Y202 F515 I520 L521 T522 F600	L198-L518 HydrophobicContact CD2-CD1 3.94Å; L198-L518 HydrophobicContact CD2-CD2 3.79Å; L198-L518 HydrophobicContact CD2-CG 3.62Å; F201-L518 HydrophobicContact CB-CD2 3.8Å; F201-L518 HydrophobicContact CD2-CD1 3.87Å; F201-L518 HydrophobicContact CD2-CD2 4.05Å; F201-L518 HydrophobicContact CE2-CD1 4.27Å; F201-L518 HydrophobicContact CG-CD2 4.32Å; Y202-L518 HydrophobicContact CD2-CD2 4.23Å; Y202-L518 HydrophobicContact CE2-CD2 4.06Å; F515-L518 HydrophobicContact CD1-CB 4.36Å; F515-L518 HydrophobicContact CD1-CD1 3.76Å; F515-L518 HydrophobicContact CE1-CD1 3.77Å; F515-L518 PolarHBondContact O-N 2.95Å; L518-I520 VanDerWaalsContact C-N 3.33Å; L518-I520 PolarHBondContact O-N 2.94Å; L518-L521 WeakPolarHBondContact O-CB 3.49Å; L518-L521 PolarHBondContact O-N 3.26Å; L518-L521 VanDerWaalsContact O-N 3.17Å; L518-T522 PolarHBondContact O-N 3.19Å; L518-T522 PolarHBondContact O-OG1 3.19Å; L518-F600 HydrophobicContact CB-CD2 3.58Å; L518-F600 HydrophobicContact CB-CE2 3.87Å; L518-F600 HydrophobicContact CB-CG 4.22Å; L518-F600 HydrophobicContact CD1-CE2 4.3Å; L518-F600 HydrophobicContact CD1-CZ 4.4Å; L518-F600 HydrophobicContact CD2-CE2 4.01Å; L518-F600 HydrophobicContact CG-CD2 4.45Å; L518-F600 HydrophobicContact CG-CE2 4.29Å
519	Q	92.3	Very high	89.6	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.9	-34.8	179	-160.5	-179.5	2.9	0	0	111.8	T50 A51 S54 F515 Q516 L521 T522 A523 E603	T50-Q519 PolarHBondContact O-NE2 2.82Å; T50-Q519 VanDerWaalsContact O-NE2 3.13Å; A51-Q519 VanDerWaalsContact CA-NE2 3.33Å; A51-Q519 HydrophobicContact CB-CG 4.17Å; S54-Q519 PolarHBondContact OG-NE2 2.91Å; S54-Q519 PolarHBondContact OG-OE1 3.47Å; F515-Q519 WeakPolarHBondContact O-CB 3.32Å; F515-Q519 PolarHBondContact O-N 2.8Å; Q516-Q519 PolarHBondContact O-N 3.44Å; Q519-L521 VanDerWaalsContact C-N 3.34Å; Q519-L521 PolarHBondContact O-N 3.2Å; Q519-T522 WeakPolarHBondContact CA-OG1 3.27Å; Q519-T522 PolarHBondContact O-N 3.01Å; Q519-T522 PolarHBondContact O-OG1 3.11Å; Q519-A523 WeakPolarHBondContact O-CB 3.28Å; Q519-A523 PolarHBondContact O-N 3.23Å; Q519-E603 WeakPolarHBondContact CG-OE1 3.27Å; Q519-E603 VanDerWaalsContact CG-OE2 3.24Å; Q519-E603 WeakPolarHBondContact CG-OE2 3.3Å; Q519-E603 PolarHBondContact NE2-OE1 2.87Å
520	I	92.8	Very high	90.3	Very high	58 Å²	58	16.7 Å²	16.7	30%	0.297	9%	0.087	S	C	.	.	H	α-helix	trans	-60.6	-44.6	171.6	-66.2	165.7	0	0	0	110.7	V56 V57 L65 Q516 L518 C524	V56-I520 HydrophobicContact CG1-CD1 4.04Å; V56-I520 HydrophobicContact CG1-CG1 3.8Å; V57-I520 HydrophobicContact CG2-CG1 3.74Å; L65-I520 HydrophobicContact CD1-CG2 4.37Å; Q516-I520 WeakPolarHBondContact O-CG1 3.41Å; Q516-I520 PolarHBondContact O-N 2.7Å; Q516-I520 VanDerWaalsContact O-N 3.12Å; L518-I520 VanDerWaalsContact C-N 3.33Å; L518-I520 PolarHBondContact O-N 2.94Å; I520-C524 PolarHBondContact O-N 3.08Å; I520-C524 PolarHBondContact O-SG 2.92Å
521	L	92.8	Very high	91	Very high	33 Å²	33	14.3 Å²	14.3	17%	0.173	8%	0.075	C	C	.	.	H	α-helix	trans	-61.6	-45.1	176.1	179.4	72.7	0	0	0	111.6	Y202 T205 F517 L518 Q519 C524 F525	Y202-L521 HydrophobicContact CD1-CD1 4.23Å; Y202-L521 HydrophobicContact CD1-CD2 3.81Å; Y202-L521 HydrophobicContact CD2-CD2 3.83Å; Y202-L521 HydrophobicContact CE1-CD1 3.95Å; Y202-L521 HydrophobicContact CE1-CD2 3.87Å; Y202-L521 HydrophobicContact CE1-CG 4.36Å; Y202-L521 HydrophobicContact CE2-CD2 3.9Å; Y202-L521 HydrophobicContact CG-CD2 3.78Å; T205-L521 HydrophobicContact CG2-CD1 4.32Å; T205-L521 HydrophobicContact CG2-CD2 4.19Å; T205-L521 HydrophobicContact CG2-CG 4.13Å; F517-L521 PolarHBondContact O-N 3.05Å; L518-L521 WeakPolarHBondContact O-CB 3.49Å; L518-L521 PolarHBondContact O-N 3.26Å; L518-L521 VanDerWaalsContact O-N 3.17Å; Q519-L521 VanDerWaalsContact C-N 3.34Å; Q519-L521 PolarHBondContact O-N 3.2Å; L521-C524 WeakPolarHBondContact O-CB 3.34Å; L521-C524 PolarHBondContact O-N 3.43Å; L521-F525 PolarHBondContact O-N 3.12Å
522	T	93.6	Very high	91.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-74.8	-30.3	-175.7	51	0	0	0	0	113.7	L518 Q519 F525 G526 F600 E603 L604	L518-T522 PolarHBondContact O-N 3.19Å; L518-T522 PolarHBondContact O-OG1 3.19Å; Q519-T522 WeakPolarHBondContact CA-OG1 3.27Å; Q519-T522 PolarHBondContact O-N 3.01Å; Q519-T522 PolarHBondContact O-OG1 3.11Å; T522-F525 PolarHBondContact O-N 2.93Å; T522-G526 PolarHBondContact O-N 3.38Å; T522-F600 HydrophobicContact CG2-CD2 3.42Å; T522-F600 VanDerWaalsContact CG2-CD2 3.42Å; T522-F600 HydrophobicContact CG2-CE2 3.54Å; T522-E603 WeakPolarHBondContact CB-OE2 3.31Å; T522-E603 PolarHBondContact OG1-OE2 2.85Å; T522-L604 HydrophobicContact CG2-CB 3.75Å; T522-L604 HydrophobicContact CG2-CD1 4.19Å; T522-L604 HydrophobicContact CG2-CG 4.37Å
523	A	93.5	Very high	92	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-67.1	-37.5	170.1	0	0	0	0	0	111.7	F48 A51 Q519 G526 S527 E603	F48-A523 HydrophobicContact CD1-CB 3.73Å; F48-A523 HydrophobicContact CE1-CB 3.56Å; F48-A523 HydrophobicContact CG-CB 4.28Å; F48-A523 HydrophobicContact CZ-CB 3.98Å; A51-A523 HydrophobicContact CB-CB 3.95Å; Q519-A523 WeakPolarHBondContact O-CB 3.28Å; Q519-A523 PolarHBondContact O-N 3.23Å; A523-G526 PolarHBondContact O-N 3.34Å; A523-S527 WeakPolarHBondContact O-CB 3.36Å; A523-S527 PolarHBondContact O-N 2.79Å; A523-E603 PolarHBondContact N-OE2 3.12Å
524	C	95	Very high	92.4	Very high	10 Å²	10	12.1 Å²	12.1	7%	0.068	6%	0.062	C	C	.	.	H	α-helix	trans	-66.1	-42.2	172.7	-65.2	0	0	0	0	111.8	F69 I520 L521 S527 F528	F69-C524 WeakPolarHBondContact CB-O 3.25Å; F69-C524 HydrophobicContact CD1-CB 4.36Å; F69-C524 HydrophobicContact CD2-CB 3.53Å; F69-C524 HydrophobicContact CE1-CB 4.32Å; F69-C524 HydrophobicContact CE2-CB 3.51Å; F69-C524 VanDerWaalsContact CE2-SG 3.51Å; F69-C524 HydrophobicContact CG-CB 4Å; F69-C524 HydrophobicContact CZ-CB 3.93Å; I520-C524 PolarHBondContact O-N 3.08Å; I520-C524 PolarHBondContact O-SG 2.92Å; L521-C524 WeakPolarHBondContact O-CB 3.34Å; L521-C524 PolarHBondContact O-N 3.43Å; C524-S527 PolarHBondContact O-N 3.2Å; C524-F528 PolarHBondContact O-N 3.35Å
525	F	95.1	Very high	92.8	Very high	6 Å²	6	12.1 Å²	12.1	3%	0.026	6%	0.061	C	C	.	.	H	α-helix	trans	-64.1	-43.1	173.5	176.9	-151.9	0	0	0	112	T205 N209 L521 T522 S527 F528 A529 L604 A607 V611	T205-F525 HydrophobicContact CG2-CB 3.9Å; T205-F525 HydrophobicContact CG2-CD1 3.83Å; T205-F525 HydrophobicContact CG2-CG 3.89Å; N209-F525 WeakPolarHBondContact ND2-CD2 3.27Å; N209-F525 VanDerWaalsContact ND2-CE2 3.3Å; N209-F525 WeakPolarHBondContact ND2-CE2 3.35Å; N209-F525 VanDerWaalsContact OD1-CD2 3.29Å; N209-F525 WeakPolarHBondContact OD1-CD2 3.46Å; N209-F525 WeakPolarHBondContact OD1-CE2 3.18Å; L521-F525 PolarHBondContact O-N 3.12Å; T522-F525 PolarHBondContact O-N 2.93Å; F525-S527 VanDerWaalsContact C-N 3.3Å; F525-S527 PolarHBondContact O-N 3.35Å; F525-F528 PolarHBondContact O-N 3.35Å; F525-A529 WeakPolarHBondContact O-CB 3.28Å; F525-A529 PolarHBondContact O-N 3.01Å; F525-L604 HydrophobicContact CD1-CD1 3.71Å; F525-L604 HydrophobicContact CE1-CD1 3.72Å; F525-A607 HydrophobicContact CB-CB 4.46Å; F525-A607 HydrophobicContact CD1-CB 3.51Å; F525-A607 HydrophobicContact CD2-CB 4.01Å; F525-A607 HydrophobicContact CE1-CB 3.57Å; F525-A607 HydrophobicContact CE2-CB 4.05Å; F525-A607 HydrophobicContact CG-CB 3.74Å; F525-A607 HydrophobicContact CZ-CB 3.85Å; F525-V611 HydrophobicContact CE2-CG2 3.78Å; F525-V611 HydrophobicContact CZ-CG2 4.36Å
526	G	94	Very high	93	Very high	10 Å²	10	12.1 Å²	12.1	10%	0.103	6%	0.061	C	C	.	.	H	α-helix	trans	-58.1	-41.5	174.6	0	0	0	0	0	112.6	S47 T522 A523 A529 H530	S47-G526 PolarHBondContact OG-O 3.24Å; T522-G526 PolarHBondContact O-N 3.38Å; A523-G526 PolarHBondContact O-N 3.34Å; G526-A529 PolarHBondContact O-N 3.39Å; G526-H530 WeakPolarHBondContact O-CB 3.45Å; G526-H530 PolarHBondContact O-N 3.33Å
527	S	94.3	Very high	93.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-69.5	-36.5	176.2	-175.2	0	0	0	0	113.5	S47 A66 E70 A523 C524 F525 G531	S47-S527 WeakPolarHBondContact OG-CA 3.48Å; S47-S527 PolarHBondContact OG-N 3.05Å; A66-S527 WeakPolarHBondContact CA-OG 3.32Å; A66-S527 PolarHBondContact O-OG 2.88Å; E70-S527 WeakPolarHBondContact CG-OG 3.47Å; E70-S527 PolarHBondContact N-OG 3.18Å; E70-S527 VanDerWaalsContact OE1-CA 3.29Å; E70-S527 WeakPolarHBondContact OE1-CA 3.07Å; E70-S527 WeakPolarHBondContact OE1-CB 3.4Å; E70-S527 PolarHBondContact OE1-OG 3.31Å; A523-S527 WeakPolarHBondContact O-CB 3.36Å; A523-S527 PolarHBondContact O-N 2.79Å; C524-S527 PolarHBondContact O-N 3.2Å; F525-S527 VanDerWaalsContact C-N 3.3Å; F525-S527 PolarHBondContact O-N 3.35Å; S527-G531 PolarHBondContact O-N 3.44Å
528	F	95.2	Very high	93.6	Very high	10 Å²	10	6.3 Å²	6.3	4%	0.044	4%	0.035	C	C	.	.	H	α-helix	trans	-65.2	-43.6	171.2	173.7	-93.4	0	0	0	112.1	F69 V72 G73 L76 L77 N209 I213 C524 F525 G532	F69-F528 HydrophobicContact CB-CB 4.28Å; F69-F528 HydrophobicContact CD1-CB 4.28Å; F69-F528 WeakPolarHBondContact O-CA 3.44Å; V72-F528 HydrophobicContact CG1-CD2 4.07Å; V72-F528 HydrophobicContact CG1-CE2 4.01Å; G73-F528 VanDerWaalsContact CA-CE2 3.44Å; G73-F528 WeakPolarHBondContact CA-O 3.19Å; L76-F528 HydrophobicContact CB-CE2 4.42Å; L76-F528 HydrophobicContact CD1-CE2 4.3Å; L77-F528 HydrophobicContact CD1-CD1 4.39Å; L77-F528 HydrophobicContact CD1-CE1 3.46Å; L77-F528 VanDerWaalsContact CD1-CE1 3.46Å; L77-F528 HydrophobicContact CD1-CZ 3.69Å; L77-F528 HydrophobicContact CG-CE1 4.19Å; L77-F528 HydrophobicContact CG-CZ 3.88Å; N209-F528 HydrophobicContact CB-CE1 4.26Å; N209-F528 WeakPolarHBondContact OD1-CD1 3.34Å; N209-F528 WeakPolarHBondContact OD1-CE1 3.36Å; I213-F528 HydrophobicContact CD1-CE2 4.29Å; I213-F528 HydrophobicContact CD1-CZ 3.73Å; I213-F528 HydrophobicContact CG1-CZ 3.79Å; C524-F528 PolarHBondContact O-N 3.35Å; F525-F528 PolarHBondContact O-N 3.35Å; F528-G532 PolarHBondContact O-N 2.96Å; F528-G532 VanDerWaalsContact O-N 3.07Å
529	A	94.5	Very high	93.8	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.008	4%	0.035	C	C	.	.	H	α-helix	trans	-63.4	-45.6	176.1	0	0	0	0	0	111.8	F525 G526 G532 N533 A607 V610 V611	F525-A529 WeakPolarHBondContact O-CB 3.28Å; F525-A529 PolarHBondContact O-N 3.01Å; G526-A529 PolarHBondContact O-N 3.39Å; A529-G532 PolarHBondContact O-N 3.5Å; A529-N533 PolarHBondContact O-N 3.45Å; A529-A607 HydrophobicContact CB-CB 4.17Å; A529-V610 HydrophobicContact CB-CB 4.09Å; A529-V610 HydrophobicContact CB-CG1 3.92Å; A529-V610 WeakPolarHBondContact O-CG1 3.44Å; A529-V611 HydrophobicContact CB-CG2 3.62Å
530	H	93.4	Very high	93.8	Very high	2 Å²	2	6.2 Å²	6.2	1%	0.009	4%	0.035	C	C	.	.	H	α-helix	trans	-60	-54.3	176.5	172.9	-80.7	0	0	0	111.4	D43 E70 G526 G532 N533 D534	D43-H530 VanDerWaalsContact C-NE2 3.28Å; D43-H530 WeakPolarHBondContact CB-NE2 3.41Å; D43-H530 PolarHBondContact O-NE2 2.81Å; E70-H530 VanDerWaalsContact CD-ND1 3.29Å; E70-H530 IonicContact OE1-CG 3.23Å; E70-H530 IonicContact OE1-ND1 2.64Å; E70-H530 PolarHBondContact OE1-ND1 3.43Å; E70-H530 IonicContact OE2-CE1 3.3Å; E70-H530 IonicContact OE2-CG 3.63Å; E70-H530 IonicContact OE2-ND1 3.81Å; E70-H530 PolarHBondContact OE2-ND1 3.07Å; G526-H530 WeakPolarHBondContact O-CB 3.45Å; G526-H530 PolarHBondContact O-N 3.33Å; H530-G532 PolarHBondContact O-N 3.21Å; H530-N533 PolarHBondContact O-N 2.96Å; H530-D534 IonicContact CD2-OD2 2.69Å; H530-D534 PolarHBondContact CD2-OD2 3.37Å; H530-D534 IonicContact CG-OD2 2.73Å; H530-D534 IonicContact NE2-OD2 3.49Å; H530-D534 PolarHBondContact NE2-OD2 3.26Å; H530-D534 PolarHBondContact O-N 3.26Å
531	G	93.5	Very high	93.9	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-58.1	-36.4	178.3	0	0	0	0	0	113.1	E70 S74 S527 V535	E70-G531 WeakPolarHBondContact OE2-CA 3.25Å; E70-G531 PolarHBondContact OE2-N 3.18Å; E70-G531 VanDerWaalsContact OE2-N 3.1Å; S74-G531 VanDerWaalsContact CA-O 3.23Å; S74-G531 WeakPolarHBondContact CA-O 3.3Å; S74-G531 PolarHBondContact N-O 2.83Å; S527-G531 PolarHBondContact O-N 3.44Å; G531-V535 WeakPolarHBondContact O-CB 3.23Å; G531-V535 WeakPolarHBondContact O-CG1 3.45Å; G531-V535 PolarHBondContact O-N 3.41Å
532	G	91.9	Very high	94	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-70.8	-25.5	175.2	0	0	0	0	0	115.3	G73 G78 F528 A529 H530	G73-G532 VanDerWaalsContact O-CA 3.32Å; G73-G532 WeakPolarHBondContact O-CA 3.5Å; G78-G532 VanDerWaalsContact CA-O 3.31Å; G78-G532 WeakPolarHBondContact CA-O 3.04Å; F528-G532 PolarHBondContact O-N 2.96Å; F528-G532 VanDerWaalsContact O-N 3.07Å; A529-G532 PolarHBondContact O-N 3.5Å; H530-G532 PolarHBondContact O-N 3.21Å
533	N	94.1	Very high	94	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-91.4	-56.4	175.9	-165.8	79.7	0	0	0	111.1	A529 H530 V535 S536 V610 S614 I620 T622	A529-N533 PolarHBondContact O-N 3.45Å; H530-N533 PolarHBondContact O-N 2.96Å; N533-V535 PolarHBondContact O-N 3.38Å; N533-S536 WeakPolarHBondContact O-CB 3.36Å; N533-S536 PolarHBondContact O-N 3.24Å; N533-S536 PolarHBondContact O-OG 2.84Å; N533-V610 HydrophobicContact CB-CG1 3.72Å; N533-S614 WeakPolarHBondContact CB-OG 3.38Å; N533-S614 PolarHBondContact OD1-OG 2.84Å; N533-I620 PolarHBondContact ND2-O 3.33Å; N533-T622 HydrophobicContact CB-CG2 4.28Å
534	D	92.9	Very high	93.9	Very high	1 Å²	1	2.9 Å²	2.9	1%	0.005	2%	0.02	C	C	.	.	H	α-helix	trans	-86.6	-11.9	-160.9	-62.1	-26.1	0	0	0	113.7	V39 T130 H530 S536 N537 T622	V39-D534 HydrophobicContact CG1-CB 3.81Å; T130-D534 PolarHBondContact OG1-OD1 3.43Å; H530-D534 IonicContact CD2-OD2 2.69Å; H530-D534 PolarHBondContact CD2-OD2 3.37Å; H530-D534 IonicContact CG-OD2 2.73Å; H530-D534 IonicContact NE2-OD2 3.49Å; H530-D534 PolarHBondContact NE2-OD2 3.26Å; H530-D534 PolarHBondContact O-N 3.26Å; D534-S536 PolarHBondContact O-N 3.45Å; D534-N537 WeakPolarHBondContact O-CB 3.36Å; D534-N537 PolarHBondContact O-N 3.11Å; D534-N537 PolarHBondContact O-ND2 2.84Å; D534-T622 WeakPolarHBondContact OD2-CB 3.45Å; D534-T622 WeakPolarHBondContact OD2-CG2 3.31Å; D534-T622 PolarHBondContact OD2-OG1 3.04Å
535	V	94.9	Very high	93.8	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-31.3	166.2	72.9	0	0	0	0	111.9	S74 G531 N533 N537 A538 I539 L565 I572	S74-V535 WeakPolarHBondContact OG-CG2 3.26Å; G531-V535 WeakPolarHBondContact O-CB 3.23Å; G531-V535 WeakPolarHBondContact O-CG1 3.45Å; G531-V535 PolarHBondContact O-N 3.41Å; N533-V535 PolarHBondContact O-N 3.38Å; V535-N537 PolarHBondContact O-N 2.94Å; V535-N537 VanDerWaalsContact O-N 3.14Å; V535-A538 PolarHBondContact O-N 3.39Å; V535-A538 VanDerWaalsContact O-N 3.11Å; V535-I539 HydrophobicContact CG2-CB 4.33Å; V535-I539 HydrophobicContact CG2-CG1 3.61Å; V535-I539 WeakPolarHBondContact O-CB 3.26Å; V535-I539 PolarHBondContact O-N 2.91Å; V535-L565 HydrophobicContact CG1-CD2 4.14Å; V535-I572 HydrophobicContact CB-CD1 4.02Å; V535-I572 HydrophobicContact CG2-CD1 4.28Å
536	S	93.1	Very high	93.6	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-61	-25.5	-180	69.1	0	0	0	0	112.6	V81 S82 I85 N533 D534 A538 I539 G540	V81-S536 VanDerWaalsContact CG1-OG 3.23Å; V81-S536 WeakPolarHBondContact CG1-OG 3.42Å; S82-S536 WeakPolarHBondContact OG-CA 3.41Å; S82-S536 WeakPolarHBondContact OG-CB 3.49Å; I85-S536 WeakPolarHBondContact CD1-OG 3.35Å; N533-S536 WeakPolarHBondContact O-CB 3.36Å; N533-S536 PolarHBondContact O-N 3.24Å; N533-S536 PolarHBondContact O-OG 2.84Å; D534-S536 PolarHBondContact O-N 3.45Å; S536-A538 VanDerWaalsContact C-N 3.28Å; S536-A538 PolarHBondContact O-N 2.9Å; S536-I539 PolarHBondContact O-N 3.02Å; S536-G540 WeakPolarHBondContact O-CA 3.48Å; S536-G540 PolarHBondContact O-N 3.36Å
537	N	93.9	Very high	93.4	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-66	-31.8	179.3	-61.2	-32.4	0	0	0	112.5	L35 V39 I85 T130 I133 D534 V535	L35-N537 WeakPolarHBondContact CD2-O 2.76Å; V39-N537 HydrophobicContact CG2-CB 4.37Å; I85-N537 WeakPolarHBondContact CD1-OD1 3.44Å; T130-N537 WeakPolarHBondContact CA-OD1 3.31Å; T130-N537 PolarHBondContact N-ND2 3.02Å; T130-N537 PolarHBondContact OG1-ND2 3.05Å; I133-N537 WeakPolarHBondContact CG1-O 3.2Å; I133-N537 HydrophobicContact CG2-CB 3.87Å; I133-N537 WeakPolarHBondContact CG2-OD1 3.5Å; D534-N537 WeakPolarHBondContact O-CB 3.36Å; D534-N537 PolarHBondContact O-N 3.11Å; D534-N537 PolarHBondContact O-ND2 2.84Å; V535-N537 PolarHBondContact O-N 2.94Å; V535-N537 VanDerWaalsContact O-N 3.14Å
538	A	94.1	Very high	93.2	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-92.3	-38.1	172.6	0	0	0	0	0	112.5	L35 A36 V535 S536	L35-A538 HydrophobicContact CB-CB 4.24Å; L35-A538 HydrophobicContact CD2-CB 4.43Å; L35-A538 HydrophobicContact CG-CB 4.03Å; A36-A538 HydrophobicContact CB-CB 3.83Å; V535-A538 PolarHBondContact O-N 3.39Å; V535-A538 VanDerWaalsContact O-N 3.11Å; S536-A538 VanDerWaalsContact C-N 3.28Å; S536-A538 PolarHBondContact O-N 2.9Å
539	I	94.8	Very high	93	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-93.5	-26.2	-166	-60.5	-55.6	0	0	0	113.6	V535 S536 L542 V543 L564 L565 Y567	V535-I539 HydrophobicContact CG2-CB 4.33Å; V535-I539 HydrophobicContact CG2-CG1 3.61Å; V535-I539 WeakPolarHBondContact O-CB 3.26Å; V535-I539 PolarHBondContact O-N 2.91Å; S536-I539 PolarHBondContact O-N 3.02Å; I539-L542 HydrophobicContact CD1-CD2 3.73Å; I539-L542 PolarHBondContact O-N 3.07Å; I539-V543 HydrophobicContact CG2-CG2 3.58Å; I539-V543 WeakPolarHBondContact O-CB 3.46Å; I539-V543 WeakPolarHBondContact O-CG2 3.34Å; I539-V543 PolarHBondContact O-N 3.3Å; I539-L564 WeakPolarHBondContact CD1-O 3.45Å; I539-L564 WeakPolarHBondContact CG1-O 3.14Å; I539-L564 HydrophobicContact CG2-CB 3.97Å; I539-L565 HydrophobicContact CG2-CD2 4.03Å; I539-Y567 HydrophobicContact CD1-CD1 4.29Å
540	G	93	Very high	92.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-54.7	-53.5	174.2	0	0	0	0	0	113.5	S536 V543 A544	S536-G540 WeakPolarHBondContact O-CA 3.48Å; S536-G540 PolarHBondContact O-N 3.36Å; G540-V543 PolarHBondContact O-N 2.94Å; G540-A544 PolarHBondContact O-N 3.07Å; G540-A544 VanDerWaalsContact O-N 3.11Å
541	P	93.9	Very high	92.3	Very high	7 Å²	7	13.6 Å²	13.6	5%	0.045	7%	0.071	C	C	.	.	H	α-helix	trans	-71.8	-32.3	177.2	-11.7	25.6	0	0	0	113	I85 M110 I133 V543 A544 L545	I85-P541 HydrophobicContact CG2-CG 4.18Å; M110-P541 HydrophobicContact CG-CB 3.67Å; M110-P541 HydrophobicContact CG-CG 3.93Å; M110-P541 HydrophobicContact SD-CB 3.88Å; M110-P541 HydrophobicContact SD-CG 4.44Å; I133-P541 HydrophobicContact CD1-CG 3.76Å; I133-P541 HydrophobicContact CG1-CG 3.89Å; P541-V543 VanDerWaalsContact C-N 3.34Å; P541-V543 PolarHBondContact O-N 2.93Å; P541-A544 WeakPolarHBondContact O-CB 3.34Å; P541-A544 PolarHBondContact O-N 3.21Å; P541-L545 WeakPolarHBondContact O-CB 3.08Å; P541-L545 PolarHBondContact O-N 2.87Å
542	L	95.4	Very high	91.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.5	-38.3	174.1	-177	65	0	0	0	111.8	F29 A32 M110 I539 L545 Y546 L564 Y567	F29-L542 HydrophobicContact CD1-CD1 3.97Å; F29-L542 HydrophobicContact CD1-CD2 3.88Å; F29-L542 HydrophobicContact CD1-CG 4.44Å; F29-L542 HydrophobicContact CD2-CD1 4.24Å; F29-L542 HydrophobicContact CE1-CD1 4.11Å; F29-L542 HydrophobicContact CE1-CD2 3.81Å; F29-L542 HydrophobicContact CE1-CG 4.26Å; F29-L542 HydrophobicContact CE2-CD1 4.36Å; F29-L542 HydrophobicContact CG-CD1 4.01Å; F29-L542 HydrophobicContact CZ-CD1 4.28Å; A32-L542 HydrophobicContact CB-CB 3.97Å; A32-L542 HydrophobicContact CB-CD1 3.98Å; A32-L542 HydrophobicContact CB-CD2 3.74Å; A32-L542 HydrophobicContact CB-CG 4.1Å; M110-L542 HydrophobicContact SD-CB 4.15Å; I539-L542 HydrophobicContact CD1-CD2 3.73Å; I539-L542 PolarHBondContact O-N 3.07Å; L542-L545 HydrophobicContact CD1-CD2 4.43Å; L542-L545 PolarHBondContact O-N 2.65Å; L542-Y546 VanDerWaalsContact O-CB 3.26Å; L542-Y546 WeakPolarHBondContact O-CB 3.42Å; L542-Y546 PolarHBondContact O-N 3.43Å; L542-L564 HydrophobicContact CD2-CD2 3.9Å; L542-L564 HydrophobicContact CG-CD2 4.36Å; L542-Y567 HydrophobicContact CD2-CD1 4.01Å; L542-Y567 HydrophobicContact CD2-CE1 4.1Å
543	V	92.6	Very high	91.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-71	-32.3	175.4	175.8	0	0	0	0	111	I539 G540 P541 L547 T560 L564	I539-V543 HydrophobicContact CG2-CG2 3.58Å; I539-V543 WeakPolarHBondContact O-CB 3.46Å; I539-V543 WeakPolarHBondContact O-CG2 3.34Å; I539-V543 PolarHBondContact O-N 3.3Å; G540-V543 PolarHBondContact O-N 2.94Å; P541-V543 VanDerWaalsContact C-N 3.34Å; P541-V543 PolarHBondContact O-N 2.93Å; V543-L547 HydrophobicContact CG1-CD1 3.63Å; V543-L547 HydrophobicContact CG1-CG 4.19Å; V543-L547 WeakPolarHBondContact O-CB 3.48Å; V543-L547 VanDerWaalsContact O-CG 3.3Å; V543-L547 WeakPolarHBondContact O-CG 3.37Å; V543-L547 PolarHBondContact O-N 3.2Å; V543-T560 HydrophobicContact CG1-CG2 4.48Å; V543-T560 HydrophobicContact CG2-CG2 3.8Å; V543-L564 HydrophobicContact CG2-CB 4.23Å; V543-L564 HydrophobicContact CG2-CD1 3.65Å
544	A	91.3	Very high	90.8	Very high	13 Å²	13	18.6 Å²	18.6	11%	0.107	10%	0.104	C	C	.	.	H	α-helix	trans	-59.7	-55.2	168.8	0	0	0	0	0	110.5	R86 G540 P541 Y546 L547 V548	R86-A544 HydrophobicContact CG-CB 3.95Å; G540-A544 PolarHBondContact O-N 3.07Å; G540-A544 VanDerWaalsContact O-N 3.11Å; P541-A544 WeakPolarHBondContact O-CB 3.34Å; P541-A544 PolarHBondContact O-N 3.21Å; A544-Y546 PolarHBondContact O-N 3.05Å; A544-L547 PolarHBondContact O-N 3.24Å; A544-V548 VanDerWaalsContact O-CG2 3.28Å; A544-V548 WeakPolarHBondContact O-CG2 3.39Å; A544-V548 PolarHBondContact O-N 2.98Å
545	L	93	Very high	90.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.7	-46.8	179.7	-178.6	68.4	0	0	0	112.7	L25 M103 V107 M110 P541 L542 Y549	L25-L545 HydrophobicContact CD1-CD2 4.44Å; L25-L545 HydrophobicContact CD1-CG 4.1Å; M103-L545 HydrophobicContact CB-CD1 3.54Å; M103-L545 HydrophobicContact CE-CD1 3.59Å; M103-L545 HydrophobicContact CE-CG 4.49Å; M103-L545 HydrophobicContact CG-CD1 3.85Å; V107-L545 HydrophobicContact CG2-CD1 4.07Å; V107-L545 HydrophobicContact CG2-CD2 3.74Å; M110-L545 HydrophobicContact CE-CD2 4.28Å; P541-L545 WeakPolarHBondContact O-CB 3.08Å; P541-L545 PolarHBondContact O-N 2.87Å; L542-L545 HydrophobicContact CD1-CD2 4.43Å; L542-L545 PolarHBondContact O-N 2.65Å; L545-Y549 WeakPolarHBondContact O-CB 3.48Å; L545-Y549 PolarHBondContact O-N 3.48Å
546	Y	92.6	Very high	89.3	Confident	44 Å²	44	19.9 Å²	19.9	17%	0.173	11%	0.113	C	C	.	.	H	α-helix	trans	-63.3	-50.3	179.5	175.6	-86	0	0	0	111.7	L25 F29 L542 A544 V548 Y549 D550 W563 L564	L25-Y546 HydrophobicContact CD1-CD2 4.5Å; F29-Y546 HydrophobicContact CE2-CD2 4.33Å; F29-Y546 HydrophobicContact CZ-CD2 4.06Å; L542-Y546 VanDerWaalsContact O-CB 3.26Å; L542-Y546 WeakPolarHBondContact O-CB 3.42Å; L542-Y546 PolarHBondContact O-N 3.43Å; A544-Y546 PolarHBondContact O-N 3.05Å; Y546-V548 PolarHBondContact O-N 3.49Å; Y546-Y549 PolarHBondContact O-N 3.35Å; Y546-D550 HydrophobicContact CD1-CB 4.36Å; Y546-D550 HydrophobicContact CE1-CB 3.85Å; Y546-D550 WeakPolarHBondContact CE1-OD2 3.45Å; Y546-D550 VanDerWaalsContact O-CB 3.23Å; Y546-D550 WeakPolarHBondContact O-CB 3.46Å; Y546-D550 PolarHBondContact O-N 3.07Å; Y546-D550 PolarHBondContact OH-OD2 3.15Å; Y546-W563 HydrophobicContact CD2-CH2 4.5Å; Y546-W563 HydrophobicContact CD2-CZ2 4.17Å; Y546-W563 HydrophobicContact CE2-CH2 4.34Å; Y546-W563 AromaticContact CE2-CZ2 3.74Å; Y546-W563 HydrophobicContact CE2-CZ2 3.74Å; Y546-L564 HydrophobicContact CD1-CD1 4.29Å; Y546-L564 HydrophobicContact CG-CD1 4.15Å
547	L	89.4	Confident	88.4	Confident	6 Å²	6	29.1 Å²	29.1	3%	0.031	15%	0.153	C	C	.	.	H	α-helix	trans	-70.6	-33.3	-175.5	-69.5	172.7	0	0	0	112.7	V543 A544 T551 V558	V543-L547 HydrophobicContact CG1-CD1 3.63Å; V543-L547 HydrophobicContact CG1-CG 4.19Å; V543-L547 WeakPolarHBondContact O-CB 3.48Å; V543-L547 VanDerWaalsContact O-CG 3.3Å; V543-L547 WeakPolarHBondContact O-CG 3.37Å; V543-L547 PolarHBondContact O-N 3.2Å; A544-L547 PolarHBondContact O-N 3.24Å; L547-T551 WeakPolarHBondContact O-CB 3.35Å; L547-T551 PolarHBondContact O-N 3.12Å; L547-T551 PolarHBondContact O-OG1 3.36Å; L547-V558 HydrophobicContact CD1-CB 4.43Å; L547-V558 HydrophobicContact CD2-CB 3.98Å; L547-V558 HydrophobicContact CD2-CG1 3.9Å
548	V	90	Very high	87.7	Confident	4 Å²	4	32.5 Å²	32.5	2%	0.024	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-47.4	171.6	172.4	0	0	0	0	110.1	L18 Q99 L102 M103 A544 Y546 G552 V554	L18-V548 HydrophobicContact CD1-CG1 4.46Å; L18-V548 WeakPolarHBondContact CD1-O 3.23Å; Q99-V548 HydrophobicContact CB-CG1 4.08Å; L102-V548 HydrophobicContact CD2-CG2 4.33Å; M103-V548 HydrophobicContact CG-CB 4.25Å; M103-V548 HydrophobicContact CG-CG1 3.72Å; M103-V548 HydrophobicContact SD-CG1 3.91Å; A544-V548 VanDerWaalsContact O-CG2 3.28Å; A544-V548 WeakPolarHBondContact O-CG2 3.39Å; A544-V548 PolarHBondContact O-N 2.98Å; Y546-V548 PolarHBondContact O-N 3.49Å; V548-G552 VanDerWaalsContact O-CA 3.3Å; V548-G552 WeakPolarHBondContact O-CA 3.1Å; V548-G552 PolarHBondContact O-N 2.87Å; V548-V554 HydrophobicContact CG1-CG2 4.38Å; V548-V554 HydrophobicContact CG2-CG2 4.08Å
549	Y	90.3	Very high	87	Confident	57 Å²	57	34.6 Å²	34.6	22%	0.224	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-46.1	177.7	-179.3	-87.9	0	0	0	113.3	L18 L22 L25 M103 L545 Y546	L18-Y549 HydrophobicContact CB-CD2 4.32Å; L18-Y549 VanDerWaalsContact O-CE2 3.31Å; L18-Y549 WeakPolarHBondContact O-CE2 3.43Å; L22-Y549 HydrophobicContact CB-CE2 4.01Å; L22-Y549 HydrophobicContact CD1-CE2 4.45Å; L25-Y549 HydrophobicContact CB-CD2 4.46Å; L25-Y549 HydrophobicContact CD2-CD1 3.61Å; L25-Y549 HydrophobicContact CD2-CD2 4.38Å; L25-Y549 HydrophobicContact CD2-CE1 3.87Å; L25-Y549 HydrophobicContact CD2-CG 3.89Å; M103-Y549 HydrophobicContact CE-CD2 4.12Å; L545-Y549 WeakPolarHBondContact O-CB 3.48Å; L545-Y549 PolarHBondContact O-N 3.48Å; Y546-Y549 PolarHBondContact O-N 3.35Å
550	D	87.8	Confident	86.4	Confident	93 Å²	93	35 Å²	35	50%	0.497	19%	0.193	S	C	.	.	H	α-helix	trans	-75.1	-38.7	-172.8	-170.3	45.9	0	0	0	112.7	Y546	Y546-D550 HydrophobicContact CD1-CB 4.36Å; Y546-D550 HydrophobicContact CE1-CB 3.85Å; Y546-D550 WeakPolarHBondContact CE1-OD2 3.45Å; Y546-D550 VanDerWaalsContact O-CB 3.23Å; Y546-D550 WeakPolarHBondContact O-CB 3.46Å; Y546-D550 PolarHBondContact O-N 3.07Å; Y546-D550 PolarHBondContact OH-OD2 3.15Å
551	T	86.1	Confident	86.2	Confident	61 Å²	61	36.2 Å²	36.2	37%	0.374	20%	0.201	S	C	.	.	H	α-helix	trans	-107.8	-18	-173.6	69.8	0	0	0	0	114.8	L547 D553 S556	L547-T551 WeakPolarHBondContact O-CB 3.35Å; L547-T551 PolarHBondContact O-N 3.12Å; L547-T551 PolarHBondContact O-OG1 3.36Å; T551-D553 PolarHBondContact O-N 3.27Å; T551-D553 PolarHBondContact OG1-N 2.94Å; T551-S556 PolarHBondContact OG1-OG 3.49Å
552	G	82.3	Confident	85.9	Confident	27 Å²	27	38.1 Å²	38.1	28%	0.278	21%	0.211	S	C	.	.	S	Bend	trans	66.4	7.1	-171	0	0	0	0	0	114.5	Q99 V548	Q99-G552 PolarHBondContact NE2-O 3.01Å; V548-G552 VanDerWaalsContact O-CA 3.3Å; V548-G552 WeakPolarHBondContact O-CA 3.1Å; V548-G552 PolarHBondContact O-N 2.87Å
553	D	84.1	Confident	85.7	Confident	70 Å²	70	44.1 Å²	44.1	37%	0.374	23%	0.233	S	C	.	.			trans	-110.2	124.2	176.9	177.7	16	0	0	0	110.7	T551 S555 S556	T551-D553 PolarHBondContact O-N 3.27Å; T551-D553 PolarHBondContact OG1-N 2.94Å; D553-S555 PolarHBondContact OD1-N 3.48Å; D553-S556 VanDerWaalsContact CG-N 3.32Å; D553-S556 VanDerWaalsContact O-CB 3.3Å; D553-S556 WeakPolarHBondContact O-CB 3.23Å; D553-S556 PolarHBondContact OD1-N 2.65Å; D553-S556 WeakPolarHBondContact OD2-CA 3.48Å; D553-S556 PolarHBondContact OD2-N 2.88Å; D553-S556 VanDerWaalsContact OD2-N 3.13Å
554	V	81.1	Confident	85.8	Confident	8 Å²	8	44.1 Å²	44.1	5%	0.048	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-27.6	179.3	171	0	0	0	0	112.2	V92 Q99 L102 V548 S556	V92-V554 HydrophobicContact CB-CG1 3.68Å; V92-V554 HydrophobicContact CG2-CG1 4.32Å; V92-V554 WeakPolarHBondContact O-CG1 3.34Å; Q99-V554 HydrophobicContact CB-CG2 4.25Å; Q99-V554 HydrophobicContact CG-CG2 3.84Å; L102-V554 HydrophobicContact CD2-CB 4.45Å; L102-V554 HydrophobicContact CD2-CG1 3.4Å; L102-V554 VanDerWaalsContact CD2-CG1 3.4Å; L102-V554 HydrophobicContact CD2-CG2 4.37Å; V548-V554 HydrophobicContact CG1-CG2 4.38Å; V548-V554 HydrophobicContact CG2-CG2 4.08Å; V554-S556 VanDerWaalsContact C-N 3.33Å
555	S	79.5	Confident	85.9	Confident	21 Å²	21	43.5 Å²	43.5	15%	0.147	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	15.2	173.7	-151.4	0	0	0	0	112.5	K87 E93 D553 K557	K87-S555 PolarHBondContact NZ-O 3.49Å; E93-S555 WeakPolarHBondContact OE1-CB 3.37Å; E93-S555 PolarHBondContact OE1-OG 3.27Å; D553-S555 PolarHBondContact OD1-N 3.48Å; S555-K557 PolarHBondContact O-N 2.85Å; S555-K557 VanDerWaalsContact O-N 3.15Å
556	S	76.6	Confident	86	Confident	7 Å²	7	47.4 Å²	47.4	5%	0.049	25%	0.248	C	C	.	.			trans	-44.1	114.7	-174.3	-178.2	0	0	0	0	113.8	K87 T551 D553 V554 V558	K87-S556 PolarHBondContact NZ-O 3.33Å; T551-S556 PolarHBondContact OG1-OG 3.49Å; D553-S556 VanDerWaalsContact CG-N 3.32Å; D553-S556 VanDerWaalsContact O-CB 3.3Å; D553-S556 WeakPolarHBondContact O-CB 3.23Å; D553-S556 PolarHBondContact OD1-N 2.65Å; D553-S556 WeakPolarHBondContact OD2-CA 3.48Å; D553-S556 PolarHBondContact OD2-N 2.88Å; D553-S556 VanDerWaalsContact OD2-N 3.13Å; V554-S556 VanDerWaalsContact C-N 3.33Å; S556-V558 PolarHBondContact O-N 3.49Å; S556-V558 WeakPolarHBondContact OG-CG2 3.3Å
557	K	75.4	Confident	86.2	Confident	193 Å²	193	48.5 Å²	48.5	84%	0.839	25%	0.253	S	S	*	.			trans	-80	7.3	-176.9	-66.7	179.3	-178.9	172.1	0	113.4	S555	S555-K557 PolarHBondContact O-N 2.85Å; S555-K557 VanDerWaalsContact O-N 3.15Å
558	V	78.8	Confident	86.5	Confident	71 Å²	71	48.2 Å²	48.2	43%	0.43	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-62.6	133.7	175	179.7	0	0	0	0	110	R86 L547 S556	R86-V558 PolarHBondContact NH1-O 2.86Å; L547-V558 HydrophobicContact CD1-CB 4.43Å; L547-V558 HydrophobicContact CD2-CB 3.98Å; L547-V558 HydrophobicContact CD2-CG1 3.9Å; S556-V558 PolarHBondContact O-N 3.49Å; S556-V558 WeakPolarHBondContact OG-CG2 3.3Å
559	A	78.3	Confident	86.8	Confident	44 Å²	44	48 Å²	48	36%	0.364	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-69.8	150.6	177.2	0	0	0	0	0	111.4	P219 P561	P219-A559 HydrophobicContact CG-CB 4.35Å; A559-P561 VanDerWaalsContact O-CD 3.26Å; A559-P561 WeakPolarHBondContact O-CD 3.42Å
560	T	83.4	Confident	87.1	Confident	9 Å²	9	48.3 Å²	48.3	6%	0.055	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-54.6	117.7	-179.6	-61.1	0	0	0	0	112.2	V543 I562 L565	V543-T560 HydrophobicContact CG1-CG2 4.48Å; V543-T560 HydrophobicContact CG2-CG2 3.8Å; T560-I562 PolarHBondContact O-N 2.74Å; T560-L565 HydrophobicContact CG2-CD1 4.19Å; T560-L565 HydrophobicContact CG2-CD2 4Å; T560-L565 HydrophobicContact CG2-CG 3.93Å
561	P	87.5	Confident	87.5	Confident	25 Å²	25	43.9 Å²	43.9	16%	0.162	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-60.4	126.5	177.1	-24.9	33.5	0	0	0	112.6	A559 W563 L564	A559-P561 VanDerWaalsContact O-CD 3.26Å; A559-P561 WeakPolarHBondContact O-CD 3.42Å; P561-W563 HydrophobicContact CB-CG 4.48Å; P561-W563 PolarHBondContact O-N 3.27Å; P561-W563 VanDerWaalsContact O-N 3.16Å; P561-L564 HydrophobicContact CB-CD1 4.13Å; P561-L564 HydrophobicContact CB-CG 4.3Å; P561-L564 HydrophobicContact CG-CD1 3.98Å; P561-L564 WeakPolarHBondContact O-CB 3.34Å; P561-L564 PolarHBondContact O-N 2.73Å
562	I	87.8	Confident	87.9	Confident	48 Å²	48	41 Å²	41	25%	0.246	22%	0.216	C	C	.	.	H	α-helix	trans	-59.4	-31.5	-176.9	-71.1	-175.1	0	0	0	112.8	V75 A218 L220 T560 L564 L565 L566	V75-I562 HydrophobicContact CG1-CG2 3.97Å; A218-I562 HydrophobicContact CB-CD1 3.78Å; A218-I562 HydrophobicContact CB-CG1 4.2Å; L220-I562 HydrophobicContact CB-CD1 3.49Å; L220-I562 VanDerWaalsContact CB-CD1 3.49Å; L220-I562 HydrophobicContact CB-CG1 4.45Å; L220-I562 HydrophobicContact CD2-CD1 3.89Å; L220-I562 HydrophobicContact CG-CD1 4.33Å; T560-I562 PolarHBondContact O-N 2.74Å; I562-L564 PolarHBondContact O-N 2.94Å; I562-L565 WeakPolarHBondContact O-CB 3.2Å; I562-L565 PolarHBondContact O-N 2.66Å; I562-L565 VanDerWaalsContact O-N 3.15Å; I562-L566 PolarHBondContact O-N 3.31Å
563	W	92.6	Very high	88.5	Confident	126 Å²	126	40.4 Å²	40.4	48%	0.477	21%	0.208	S	C	.	.	H	α-helix	trans	-65.5	-26.7	178.1	73.6	-96.8	0	0	0	112.9	F29 Y546 P561 Y567	F29-W563 AromaticContact CE1-CH2 3.73Å; F29-W563 HydrophobicContact CE1-CH2 3.73Å; F29-W563 AromaticContact CE1-CZ3 3.75Å; F29-W563 HydrophobicContact CE1-CZ3 3.75Å; F29-W563 AromaticContact CZ-CH2 3.51Å; F29-W563 HydrophobicContact CZ-CH2 3.51Å; F29-W563 HydrophobicContact CZ-CZ2 4.47Å; F29-W563 HydrophobicContact CZ-CZ3 4.05Å; Y546-W563 HydrophobicContact CD2-CH2 4.5Å; Y546-W563 HydrophobicContact CD2-CZ2 4.17Å; Y546-W563 HydrophobicContact CE2-CH2 4.34Å; Y546-W563 AromaticContact CE2-CZ2 3.74Å; Y546-W563 HydrophobicContact CE2-CZ2 3.74Å; P561-W563 HydrophobicContact CB-CG 4.48Å; P561-W563 PolarHBondContact O-N 3.27Å; P561-W563 VanDerWaalsContact O-N 3.16Å; W563-Y567 WeakPolarHBondContact O-CB 3.27Å; W563-Y567 PolarHBondContact O-N 3.27Å
564	L	93.8	Very high	89.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-74	-37.2	172.9	-67.2	173	0	0	0	111.6	F29 I539 L542 V543 Y546 P561 I562 Y567 G568	F29-L564 HydrophobicContact CE1-CD2 3.45Å; F29-L564 VanDerWaalsContact CE1-CD2 3.45Å; F29-L564 HydrophobicContact CZ-CD2 3.73Å; I539-L564 WeakPolarHBondContact CD1-O 3.45Å; I539-L564 WeakPolarHBondContact CG1-O 3.14Å; I539-L564 HydrophobicContact CG2-CB 3.97Å; L542-L564 HydrophobicContact CD2-CD2 3.9Å; L542-L564 HydrophobicContact CG-CD2 4.36Å; V543-L564 HydrophobicContact CG2-CB 4.23Å; V543-L564 HydrophobicContact CG2-CD1 3.65Å; Y546-L564 HydrophobicContact CD1-CD1 4.29Å; Y546-L564 HydrophobicContact CG-CD1 4.15Å; P561-L564 HydrophobicContact CB-CD1 4.13Å; P561-L564 HydrophobicContact CB-CG 4.3Å; P561-L564 HydrophobicContact CG-CD1 3.98Å; P561-L564 WeakPolarHBondContact O-CB 3.34Å; P561-L564 PolarHBondContact O-N 2.73Å; I562-L564 PolarHBondContact O-N 2.94Å; L564-Y567 WeakPolarHBondContact O-CB 3.39Å; L564-Y567 PolarHBondContact O-N 3.12Å; L564-G568 PolarHBondContact O-N 3.26Å
565	L	93.9	Very high	89.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.5	-48	171.3	-62.9	171.7	0	0	0	110.4	S74 A79 V535 I539 T560 I562 Y567 G568 G569	S74-L565 PolarHBondContact OG-O 3.01Å; A79-L565 HydrophobicContact CB-CD1 3.98Å; V535-L565 HydrophobicContact CG1-CD2 4.14Å; I539-L565 HydrophobicContact CG2-CD2 4.03Å; T560-L565 HydrophobicContact CG2-CD1 4.19Å; T560-L565 HydrophobicContact CG2-CD2 4Å; T560-L565 HydrophobicContact CG2-CG 3.93Å; I562-L565 WeakPolarHBondContact O-CB 3.2Å; I562-L565 PolarHBondContact O-N 2.66Å; I562-L565 VanDerWaalsContact O-N 3.15Å; L565-Y567 VanDerWaalsContact C-N 3.31Å; L565-Y567 PolarHBondContact O-N 3.13Å; L565-G568 PolarHBondContact O-N 3.32Å; L565-G568 VanDerWaalsContact O-N 3.11Å; L565-G569 PolarHBondContact O-N 3.39Å
566	L	95.3	Very high	90.2	Very high	81 Å²	81	39.1 Å²	39.1	42%	0.424	20%	0.198	S	C	.	.	H	α-helix	trans	-58	-41.3	175.3	-179.1	60.5	0	0	0	112.3	T71 V75 I562 G568 G569 V570	T71-L566 HydrophobicContact CG2-CD1 3.69Å; V75-L566 HydrophobicContact CG2-CB 3.96Å; V75-L566 HydrophobicContact CG2-CD1 4.12Å; I562-L566 PolarHBondContact O-N 3.31Å; L566-G568 PolarHBondContact O-N 3Å; L566-G569 PolarHBondContact O-N 3.32Å; L566-V570 HydrophobicContact CD1-CG2 4.37Å; L566-V570 WeakPolarHBondContact O-CG2 3.45Å; L566-V570 PolarHBondContact O-N 3.01Å
567	Y	96.8	Very high	90.9	Very high	67 Å²	67	43.4 Å²	43.4	26%	0.263	21%	0.214	S	C	.	.	H	α-helix	trans	-58.4	-45.5	174.2	-178	-102.8	0	0	0	112	F29 F33 I539 L542 W563 L564 L565 V570 G571	F29-Y567 HydrophobicContact CD1-CD1 4.38Å; F29-Y567 AromaticContact CD1-CE1 3.8Å; F29-Y567 HydrophobicContact CD1-CE1 3.8Å; F29-Y567 HydrophobicContact CD1-CE2 4.5Å; F29-Y567 AromaticContact CD1-CZ 3.85Å; F29-Y567 PolarHBondContact O-OH 3.24Å; F33-Y567 HydrophobicContact CB-CE1 4.01Å; F33-Y567 HydrophobicContact CD2-CE1 4.44Å; F33-Y567 HydrophobicContact CD2-CE2 4.26Å; I539-Y567 HydrophobicContact CD1-CD1 4.29Å; L542-Y567 HydrophobicContact CD2-CD1 4.01Å; L542-Y567 HydrophobicContact CD2-CE1 4.1Å; W563-Y567 WeakPolarHBondContact O-CB 3.27Å; W563-Y567 PolarHBondContact O-N 3.27Å; L564-Y567 WeakPolarHBondContact O-CB 3.39Å; L564-Y567 PolarHBondContact O-N 3.12Å; L565-Y567 VanDerWaalsContact C-N 3.31Å; L565-Y567 PolarHBondContact O-N 3.13Å; Y567-V570 PolarHBondContact O-N 3.38Å; Y567-G571 PolarHBondContact O-N 3.29Å
568	G	96.2	Very high	91.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-44.9	173.9	0	0	0	0	0	113.2	L564 L565 L566 V570 G571 I572	L564-G568 PolarHBondContact O-N 3.26Å; L565-G568 PolarHBondContact O-N 3.32Å; L565-G568 VanDerWaalsContact O-N 3.11Å; L566-G568 PolarHBondContact O-N 3Å; G568-V570 VanDerWaalsContact C-N 3.32Å; G568-V570 PolarHBondContact O-N 3.12Å; G568-G571 PolarHBondContact O-N 3.2Å; G568-G571 VanDerWaalsContact O-N 3.14Å; G568-I572 WeakPolarHBondContact O-CG1 3.5Å; G568-I572 PolarHBondContact O-N 2.94Å
569	G	95.6	Very high	92.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.1	-40.3	175.5	0	0	0	0	0	113.1	L565 L566 I572 C573	L565-G569 PolarHBondContact O-N 3.39Å; L566-G569 PolarHBondContact O-N 3.32Å; G569-I572 PolarHBondContact O-N 3.03Å; G569-C573 PolarHBondContact O-N 3.45Å; G569-C573 PolarHBondContact O-SG 3.16Å
570	V	96.5	Very high	92.3	Very high	63 Å²	63	36 Å²	36	38%	0.382	17%	0.173	S	C	.	.	H	α-helix	trans	-65.8	-40.8	173.9	170	0	0	0	0	111.6	L566 Y567 G568 C573 I574	L566-V570 HydrophobicContact CD1-CG2 4.37Å; L566-V570 WeakPolarHBondContact O-CG2 3.45Å; L566-V570 PolarHBondContact O-N 3.01Å; Y567-V570 PolarHBondContact O-N 3.38Å; G568-V570 VanDerWaalsContact C-N 3.32Å; G568-V570 PolarHBondContact O-N 3.12Å; V570-C573 WeakPolarHBondContact O-CB 3.46Å; V570-C573 PolarHBondContact O-N 2.84Å; V570-I574 HydrophobicContact CG1-CD1 3.82Å; V570-I574 WeakPolarHBondContact O-CG1 3.48Å; V570-I574 PolarHBondContact O-N 2.9Å
571	G	96.4	Very high	92.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.3	-48.8	173.1	0	0	0	0	0	112.6	F37 Y567 G568 C573 I574 G575	F37-G571 WeakPolarHBondContact CA-O 3.2Å; Y567-G571 PolarHBondContact O-N 3.29Å; G568-G571 PolarHBondContact O-N 3.2Å; G568-G571 VanDerWaalsContact O-N 3.14Å; G571-C573 VanDerWaalsContact C-N 3.32Å; G571-C573 PolarHBondContact O-N 3.06Å; G571-I574 PolarHBondContact O-N 3.43Å; G571-I574 VanDerWaalsContact O-N 3.13Å; G571-G575 PolarHBondContact O-N 2.88Å
572	I	95.1	Very high	91.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-55.7	-46	174.5	-71.3	168.2	0	0	0	110.8	A36 V39 G40 E70 V535 G568 G569 I574 G575 L576	A36-I572 HydrophobicContact CB-CG1 4.33Å; A36-I572 VanDerWaalsContact O-CA 3.28Å; A36-I572 WeakPolarHBondContact O-CA 3.43Å; A36-I572 VanDerWaalsContact O-CG1 3.3Å; A36-I572 WeakPolarHBondContact O-CG1 3.27Å; A36-I572 PolarHBondContact O-N 2.96Å; V39-I572 HydrophobicContact CB-CG1 4.41Å; V39-I572 HydrophobicContact CG1-CD1 4.25Å; V39-I572 HydrophobicContact CG1-CG1 4.21Å; G40-I572 WeakPolarHBondContact CA-O 3.3Å; E70-I572 HydrophobicContact CB-CG2 4.13Å; E70-I572 HydrophobicContact CG-CG2 4.02Å; V535-I572 HydrophobicContact CB-CD1 4.02Å; V535-I572 HydrophobicContact CG2-CD1 4.28Å; G568-I572 WeakPolarHBondContact O-CG1 3.5Å; G568-I572 PolarHBondContact O-N 2.94Å; G569-I572 PolarHBondContact O-N 3.03Å; I572-I574 PolarHBondContact O-N 2.93Å; I572-G575 PolarHBondContact O-N 3.24Å; I572-L576 WeakPolarHBondContact O-CB 3.44Å; I572-L576 PolarHBondContact O-N 3.1Å
573	C	94.6	Very high	91	Very high	16 Å²	16	44.3 Å²	44.3	11%	0.108	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-43	176.7	-70.7	0	0	0	0	112.7	S67 T71 G569 V570 G571 L576 W577	S67-C573 WeakPolarHBondContact CA-SG 3.24Å; S67-C573 PolarHBondContact O-SG 3.2Å; S67-C573 VanDerWaalsContact O-SG 3.35Å; T71-C573 PolarHBondContact OG1-SG 3.37Å; G569-C573 PolarHBondContact O-N 3.45Å; G569-C573 PolarHBondContact O-SG 3.16Å; V570-C573 WeakPolarHBondContact O-CB 3.46Å; V570-C573 PolarHBondContact O-N 2.84Å; G571-C573 VanDerWaalsContact C-N 3.32Å; G571-C573 PolarHBondContact O-N 3.06Å; C573-L576 WeakPolarHBondContact O-CB 3.34Å; C573-L576 PolarHBondContact O-N 2.97Å; C573-W577 PolarHBondContact O-N 2.91Å; C573-W577 VanDerWaalsContact O-N 3.09Å
574	I	95.3	Very high	90.3	Very high	71 Å²	71	38.3 Å²	38.3	36%	0.364	18%	0.176	S	C	.	.	H	α-helix	trans	-70.6	-38.1	-178.1	-66.7	165.7	0	0	0	110.5	F33 F37 V570 G571 I572 L576 W577 V578	F33-I574 HydrophobicContact CE2-CD1 4.2Å; F33-I574 HydrophobicContact CZ-CD1 3.72Å; F37-I574 HydrophobicContact CD2-CB 4.46Å; F37-I574 HydrophobicContact CD2-CG2 3.97Å; F37-I574 HydrophobicContact CE2-CG2 4.09Å; V570-I574 HydrophobicContact CG1-CD1 3.82Å; V570-I574 WeakPolarHBondContact O-CG1 3.48Å; V570-I574 PolarHBondContact O-N 2.9Å; G571-I574 PolarHBondContact O-N 3.43Å; G571-I574 VanDerWaalsContact O-N 3.13Å; I572-I574 PolarHBondContact O-N 2.93Å; I574-L576 PolarHBondContact O-N 3.16Å; I574-W577 PolarHBondContact O-N 3.17Å; I574-V578 HydrophobicContact CG2-CG2 4.41Å; I574-V578 WeakPolarHBondContact O-CG2 3.41Å; I574-V578 PolarHBondContact O-N 2.85Å; I574-V578 VanDerWaalsContact O-N 3.08Å
575	G	93.1	Very high	89.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57	-46.7	171.2	0	0	0	0	0	113.7	F37 G571 I572 V578 W579 G580	F37-G575 VanDerWaalsContact O-CA 3.29Å; F37-G575 WeakPolarHBondContact O-CA 3.31Å; G571-G575 PolarHBondContact O-N 2.88Å; I572-G575 PolarHBondContact O-N 3.24Å; G575-V578 PolarHBondContact O-N 3.15Å; G575-W579 PolarHBondContact O-N 3.19Å; G575-G580 PolarHBondContact O-N 3.04Å
576	L	91.8	Very high	87.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-57.3	-49.8	174.7	160.8	62.5	0	0	0	112.5	G40 V44 A66 I572 C573 I574 V578 G580 R581 I584	G40-L576 VanDerWaalsContact O-CA 3.29Å; G40-L576 WeakPolarHBondContact O-CA 3.39Å; G40-L576 PolarHBondContact O-N 3.49Å; V44-L576 HydrophobicContact CB-CD1 4.06Å; V44-L576 HydrophobicContact CG1-CD1 3.69Å; V44-L576 HydrophobicContact CG1-CD2 4.23Å; V44-L576 HydrophobicContact CG1-CG 4.49Å; V44-L576 HydrophobicContact CG2-CB 4.3Å; V44-L576 HydrophobicContact CG2-CD1 4.39Å; V44-L576 HydrophobicContact CG2-CD2 4.5Å; A66-L576 HydrophobicContact CB-CD2 3.54Å; I572-L576 WeakPolarHBondContact O-CB 3.44Å; I572-L576 PolarHBondContact O-N 3.1Å; C573-L576 WeakPolarHBondContact O-CB 3.34Å; C573-L576 PolarHBondContact O-N 2.97Å; I574-L576 PolarHBondContact O-N 3.16Å; L576-V578 VanDerWaalsContact C-N 3.35Å; L576-V578 PolarHBondContact O-N 2.91Å; L576-G580 WeakPolarHBondContact O-CA 3.34Å; L576-G580 PolarHBondContact O-N 3.05Å; L576-R581 PolarHBondContact O-N 3.47Å; L576-R581 VanDerWaalsContact O-N 3.16Å; L576-I584 HydrophobicContact CD1-CD1 3.79Å
577	W	91.8	Very high	86.4	Confident	98 Å²	98	42 Å²	42	37%	0.371	19%	0.194	S	C	.	.	I	π-helix	trans	-71.2	-28.2	-175.3	-83	71	0	0	0	113.5	C63 I64 S67 C573 I574 R581	C63-W577 HydrophobicContact CB-CD2 4.33Å; C63-W577 HydrophobicContact CB-CZ2 3.84Å; C63-W577 PolarHBondContact O-NE1 3.33Å; I64-W577 HydrophobicContact CG1-CH2 3.89Å; I64-W577 HydrophobicContact CG1-CZ2 3.68Å; S67-W577 PolarHBondContact OG-NE1 3.25Å; C573-W577 PolarHBondContact O-N 2.91Å; C573-W577 VanDerWaalsContact O-N 3.09Å; I574-W577 PolarHBondContact O-N 3.17Å; W577-R581 WeakPolarHBondContact O-CD 3.41Å; W577-R581 PolarHBondContact O-NE 3.27Å; W577-R581 PolarHBondContact O-NH1 2.88Å
578	V	91.4	Very high	84.7	Confident	85 Å²	85	39.6 Å²	39.6	52%	0.515	19%	0.189	S	C	.	.	I	π-helix	trans	-88.5	-51.3	179.5	176.5	0	0	0	0	112.3	F37 I574 G575 L576	F37-V578 HydrophobicContact CE2-CB 3.86Å; F37-V578 HydrophobicContact CE2-CG1 4.21Å; F37-V578 HydrophobicContact CE2-CG2 4.08Å; F37-V578 HydrophobicContact CZ-CB 3.85Å; F37-V578 HydrophobicContact CZ-CG1 3.82Å; I574-V578 HydrophobicContact CG2-CG2 4.41Å; I574-V578 WeakPolarHBondContact O-CG2 3.41Å; I574-V578 PolarHBondContact O-N 2.85Å; I574-V578 VanDerWaalsContact O-N 3.08Å; G575-V578 PolarHBondContact O-N 3.15Å; L576-V578 VanDerWaalsContact C-N 3.35Å; L576-V578 PolarHBondContact O-N 2.91Å
579	W	87.4	Confident	82.9	Confident	65 Å²	65	46.7 Å²	46.7	25%	0.246	22%	0.22	C	C	.	.	I	π-helix	trans	-118	-37.1	-174.8	-99.5	3	0	0	0	115	F37 A41 L118 F122 G575 R581 R582	F37-W579 HydrophobicContact CE1-CE3 4.32Å; A41-W579 HydrophobicContact CB-CB 3.76Å; A41-W579 HydrophobicContact CB-CE3 4.35Å; L118-W579 HydrophobicContact CB-CZ3 4.34Å; L118-W579 HydrophobicContact CD2-CE3 4.22Å; L118-W579 HydrophobicContact CD2-CZ3 3.73Å; F122-W579 HydrophobicContact CB-CH2 4.35Å; F122-W579 HydrophobicContact CD2-CH2 4.37Å; F122-W579 HydrophobicContact CD2-CZ2 4.19Å; G575-W579 PolarHBondContact O-N 3.19Å; W579-R581 PolarHBondContact O-N 3.25Å; W579-R582 WeakPolarHBondContact O-CB 3.43Å; W579-R582 PolarHBondContact O-N 3.44Å
580	G	83.3	Confident	80.8	Confident	2 Å²	2	52.5 Å²	52.5	2%	0.021	25%	0.251	C	S	.	.	I	π-helix	trans	-54	-32.8	-177	0	0	0	0	0	114	A41 G575 L576 R582 V583 I584	A41-G580 VanDerWaalsContact O-CA 3.29Å; A41-G580 WeakPolarHBondContact O-CA 3.31Å; G575-G580 PolarHBondContact O-N 3.04Å; L576-G580 WeakPolarHBondContact O-CA 3.34Å; L576-G580 PolarHBondContact O-N 3.05Å; G580-R582 PolarHBondContact O-N 3.49Å; G580-R582 VanDerWaalsContact O-N 3.09Å; G580-V583 PolarHBondContact O-N 2.7Å; G580-V583 VanDerWaalsContact O-N 3.12Å; G580-I584 WeakPolarHBondContact O-CD1 3.49Å; G580-I584 VanDerWaalsContact O-CG1 3.26Å; G580-I584 WeakPolarHBondContact O-CG1 3.32Å; G580-I584 PolarHBondContact O-N 2.84Å
581	R	79.9	Confident	78.5	Confident	82 Å²	82	52.8 Å²	52.8	31%	0.309	25%	0.25	S	C	.	.	H	α-helix	trans	-47.8	-33.3	168.9	-75.9	177.2	174.1	175.8	-6.1	115.8	L59 C63 L576 W577 W579 Q585	L59-R581 HydrophobicContact CD2-CB 4.19Å; L59-R581 HydrophobicContact CD2-CG 4.33Å; L59-R581 HydrophobicContact CG-CG 4.42Å; C63-R581 VanDerWaalsContact SG-CG 3.51Å; L576-R581 PolarHBondContact O-N 3.47Å; L576-R581 VanDerWaalsContact O-N 3.16Å; W577-R581 WeakPolarHBondContact O-CD 3.41Å; W577-R581 PolarHBondContact O-NE 3.27Å; W577-R581 PolarHBondContact O-NH1 2.88Å; W579-R581 PolarHBondContact O-N 3.25Å; R581-Q585 WeakPolarHBondContact O-CG 3.37Å
582	R	76.6	Confident	76.4	Confident	165 Å²	165	56.6 Å²	56.6	62%	0.623	27%	0.273	S	S	*	.	H	α-helix	trans	-79.5	-44.9	179.1	-63.4	-178.7	178.4	-173.3	-1.2	110.8	W579 G580 Q585 T586	W579-R582 WeakPolarHBondContact O-CB 3.43Å; W579-R582 PolarHBondContact O-N 3.44Å; G580-R582 PolarHBondContact O-N 3.49Å; G580-R582 VanDerWaalsContact O-N 3.09Å; R582-Q585 PolarHBondContact O-N 3.36Å; R582-T586 PolarHBondContact O-N 3.17Å
583	V	73.8	Confident	74.6	Confident	9 Å²	9	61 Å²	61	6%	0.055	30%	0.302	C	S	.	.	H	α-helix	trans	-63.5	-44.8	179.3	-172	0	0	0	0	110.6	A41 A45 G580 Q585 T586 M587	A41-V583 VanDerWaalsContact O-CG2 3.28Å; A41-V583 WeakPolarHBondContact O-CG2 3.46Å; A45-V583 HydrophobicContact CB-CB 4.46Å; A45-V583 HydrophobicContact CB-CG1 3.82Å; G580-V583 PolarHBondContact O-N 2.7Å; G580-V583 VanDerWaalsContact O-N 3.12Å; V583-Q585 VanDerWaalsContact C-N 3.27Å; V583-Q585 PolarHBondContact O-N 2.9Å; V583-T586 PolarHBondContact O-N 2.67Å; V583-T586 VanDerWaalsContact O-N 3.14Å; V583-M587 HydrophobicContact CG1-CG 4.06Å; V583-M587 WeakPolarHBondContact O-CB 3.49Å; V583-M587 WeakPolarHBondContact O-CG 3.36Å; V583-M587 PolarHBondContact O-N 3.46Å
584	I	77.6	Confident	73.4	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-57.3	-38.3	174.5	-63.5	161.6	0	0	0	111.8	V44 A45 V52 L59 L576 G580 G588	V44-I584 HydrophobicContact CG1-CD1 4.31Å; A45-I584 HydrophobicContact CB-CG1 4.18Å; V52-I584 HydrophobicContact CB-CG2 4Å; V52-I584 HydrophobicContact CG1-CG2 4.14Å; V52-I584 HydrophobicContact CG2-CG2 3.84Å; L59-I584 HydrophobicContact CD1-CB 3.87Å; L59-I584 HydrophobicContact CD1-CD1 4.22Å; L59-I584 HydrophobicContact CD1-CG2 3.53Å; L576-I584 HydrophobicContact CD1-CD1 3.79Å; G580-I584 WeakPolarHBondContact O-CD1 3.49Å; G580-I584 VanDerWaalsContact O-CG1 3.26Å; G580-I584 WeakPolarHBondContact O-CG1 3.32Å; G580-I584 PolarHBondContact O-N 2.84Å; I584-G588 PolarHBondContact O-N 3.48Å
585	Q	72.6	Confident	72.9	Confident	89 Å²	89	58.7 Å²	58.7	42%	0.416	29%	0.29	S	S	.	.	H	α-helix	trans	-71.3	-29.3	178.5	-80.5	-173.8	46.2	0	0	114.4	L59 R581 R582 V583 K589	L59-Q585 HydrophobicContact CD2-CG 3.78Å; R581-Q585 WeakPolarHBondContact O-CG 3.37Å; R582-Q585 PolarHBondContact O-N 3.36Å; V583-Q585 VanDerWaalsContact C-N 3.27Å; V583-Q585 PolarHBondContact O-N 2.9Å; Q585-K589 VanDerWaalsContact O-CD 3.26Å; Q585-K589 WeakPolarHBondContact O-CD 3.41Å; Q585-K589 VanDerWaalsContact O-CG 3.25Å; Q585-K589 WeakPolarHBondContact O-CG 3.39Å
586	T	64.9	Low	72.5	Confident	36 Å²	36	59.1 Å²	59.1	22%	0.221	29%	0.292	C	S	.	.	H	α-helix	trans	-78.6	-56.7	174.6	-83.6	0	0	0	0	109.2	R582 V583 G588 K589 D590	R582-T586 PolarHBondContact O-N 3.17Å; V583-T586 PolarHBondContact O-N 2.67Å; V583-T586 VanDerWaalsContact O-N 3.14Å; T586-G588 VanDerWaalsContact C-N 3.28Å; T586-G588 PolarHBondContact O-N 3.49Å; T586-K589 PolarHBondContact O-N 3.33Å; T586-D590 WeakPolarHBondContact CG2-OD2 3.46Å; T586-D590 WeakPolarHBondContact O-CB 3.21Å; T586-D590 PolarHBondContact O-N 2.88Å; T586-D590 VanDerWaalsContact O-OD2 3.14Å
587	M	63.7	Low	72.3	Confident	34 Å²	34	59.2 Å²	59.2	17%	0.167	29%	0.293	C	S	.	.	H	α-helix	trans	-56.9	-38.6	-179.9	-65.9	-69.1	-81.9	0	0	112.8	A45 P126 V583 K589 L591	A45-M587 HydrophobicContact CB-CB 4.17Å; A45-M587 HydrophobicContact CB-CG 3.92Å; P126-M587 HydrophobicContact CB-CE 3.96Å; P126-M587 HydrophobicContact CB-SD 4.36Å; P126-M587 HydrophobicContact CG-CE 4.1Å; P126-M587 HydrophobicContact CG-SD 4.16Å; V583-M587 HydrophobicContact CG1-CG 4.06Å; V583-M587 WeakPolarHBondContact O-CB 3.49Å; V583-M587 WeakPolarHBondContact O-CG 3.36Å; V583-M587 PolarHBondContact O-N 3.46Å; M587-K589 VanDerWaalsContact C-N 3.31Å; M587-K589 PolarHBondContact O-N 3.44Å; M587-L591 HydrophobicContact CE-CD1 4.39Å; M587-L591 WeakPolarHBondContact O-CB 3.24Å; M587-L591 WeakPolarHBondContact O-CD1 3.45Å; M587-L591 VanDerWaalsContact O-CG 3.23Å; M587-L591 WeakPolarHBondContact O-CG 3.31Å; M587-L591 PolarHBondContact O-N 3.5Å
588	G	60.8	Low	72.2	Confident	16 Å²	16	54.7 Å²	54.7	17%	0.165	28%	0.276	C	S	.	.	H	α-helix	trans	-75.3	-8.2	177.5	0	0	0	0	0	115.8	G53 I584 T586	G53-G588 WeakPolarHBondContact CA-O 3.22Å; I584-G588 PolarHBondContact O-N 3.48Å; T586-G588 VanDerWaalsContact C-N 3.28Å; T586-G588 PolarHBondContact O-N 3.49Å
589	K	58.2	Low	72.1	Confident	148 Å²	148	50.7 Å²	50.7	64%	0.643	25%	0.252	S	S	*	.	H	α-helix	trans	-113.6	-32.5	179.1	-70.5	177.8	-170.1	166.6	0	113.6	Q585 T586 M587	Q585-K589 VanDerWaalsContact O-CD 3.26Å; Q585-K589 WeakPolarHBondContact O-CD 3.41Å; Q585-K589 VanDerWaalsContact O-CG 3.25Å; Q585-K589 WeakPolarHBondContact O-CG 3.39Å; T586-K589 PolarHBondContact O-N 3.33Å; M587-K589 VanDerWaalsContact C-N 3.31Å; M587-K589 PolarHBondContact O-N 3.44Å
590	D	52.3	Low	72.3	Confident	122 Å²	122	47.6 Å²	47.6	65%	0.652	24%	0.24	S	C	*	.	H	α-helix	trans	-99.3	-12.3	-169.3	-55.1	-41.1	0	0	0	112.2	T586	T586-D590 WeakPolarHBondContact CG2-OD2 3.46Å; T586-D590 WeakPolarHBondContact O-CB 3.21Å; T586-D590 PolarHBondContact O-N 2.88Å; T586-D590 VanDerWaalsContact O-OD2 3.14Å
591	L	48.2	Very low	72.8	Confident	70 Å²	70	47.5 Å²	47.5	37%	0.366	24%	0.239	S	C	.	.	S	Bend	trans	-74.5	156.3	162.1	-67.6	175.3	0	0	0	110.9	M587	M587-L591 HydrophobicContact CE-CD1 4.39Å; M587-L591 WeakPolarHBondContact O-CB 3.24Å; M587-L591 WeakPolarHBondContact O-CD1 3.45Å; M587-L591 VanDerWaalsContact O-CG 3.23Å; M587-L591 WeakPolarHBondContact O-CG 3.31Å; M587-L591 PolarHBondContact O-N 3.5Å
592	T	51.3	Low	73.3	Confident	80 Å²	80	43.8 Å²	43.8	49%	0.491	23%	0.226	S	C	.	.			trans	-54	153.9	-179.1	48.7	0	0	0	0	112.5	I594	T592-I594 WeakPolarHBondContact O-CG1 3.28Å; T592-I594 PolarHBondContact O-N 3.39Å
593	P	58.8	Low	74.1	Confident	93 Å²	93	36 Å²	36	60%	0.604	20%	0.196	S	C	*	.			trans	-63	99.1	-177.1	23.9	-34	0	0	0	112.2	Y504	Y504-P593 HydrophobicContact CE1-CG 4.42Å
594	I	69.4	Low	75	Confident	23 Å²	23	36.5 Å²	36.5	12%	0.118	20%	0.198	C	C	.	.			trans	-83.5	119	-176.1	-49.2	-165.4	0	0	0	109.2	T50 S54 T592 S598	T50-I594 HydrophobicContact CG2-CD1 3.72Å; S54-I594 VanDerWaalsContact CB-O 3.32Å; S54-I594 WeakPolarHBondContact CB-O 3.41Å; T592-I594 WeakPolarHBondContact O-CG1 3.28Å; T592-I594 PolarHBondContact O-N 3.39Å; I594-S598 WeakPolarHBondContact CG2-OG 3.3Å
595	T	83.1	Confident	75.8	Confident	15 Å²	15	36.6 Å²	36.6	9%	0.092	20%	0.199	C	C	.	.			trans	-77.9	150.1	171.1	61.5	0	0	0	0	110.1	D507 S597 S598 G599	D507-T595 WeakPolarHBondContact OD2-CB 3.47Å; T595-S597 PolarHBondContact O-N 3Å; T595-S597 VanDerWaalsContact O-N 3.13Å; T595-S597 PolarHBondContact OG1-OG 3.1Å; T595-S598 PolarHBondContact N-OG 3.3Å; T595-S598 PolarHBondContact O-N 3.32Å; T595-S598 PolarHBondContact O-OG 3.43Å; T595-S598 PolarHBondContact OG1-OG 3.43Å; T595-G599 PolarHBondContact O-N 2.93Å
596	P	86.4	Confident	76.9	Confident	9 Å²	9	32.8 Å²	32.8	6%	0.058	18%	0.183	C	C	.	.	H	α-helix	trans	-53.7	-34.3	-179.9	-30	37.4	0	0	0	114.4	V56 D507 F515 Q516 F600	V56-P596 HydrophobicContact CG2-CB 4.48Å; V56-P596 HydrophobicContact CG2-CG 4.12Å; D507-P596 WeakPolarHBondContact OD2-CD 3.43Å; F515-P596 HydrophobicContact CB-CB 3.74Å; Q516-P596 HydrophobicContact CG-CG 4.32Å; P596-F600 VanDerWaalsContact O-CB 3.25Å; P596-F600 WeakPolarHBondContact O-CB 3.09Å; P596-F600 PolarHBondContact O-N 3.15Å
597	S	87.8	Confident	78.3	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-38.8	175.4	67.5	0	0	0	0	113.9	D507 T595 S601	D507-S597 WeakPolarHBondContact OD1-CB 3.26Å; D507-S597 PolarHBondContact OD1-OG 3.45Å; D507-S597 VanDerWaalsContact OD2-CB 3.27Å; D507-S597 WeakPolarHBondContact OD2-CB 3.38Å; D507-S597 PolarHBondContact OD2-N 2.9Å; D507-S597 PolarHBondContact OD2-OG 3.18Å; D507-S597 VanDerWaalsContact OD2-OG 3.05Å; T595-S597 PolarHBondContact O-N 3Å; T595-S597 VanDerWaalsContact O-N 3.13Å; T595-S597 PolarHBondContact OG1-OG 3.1Å; S597-S601 PolarHBondContact O-N 3.23Å; S597-S601 PolarHBondContact O-OG 2.87Å
598	S	88.2	Confident	79.8	Confident	4 Å²	4	31.5 Å²	31.5	3%	0.028	18%	0.175	C	C	.	.	H	α-helix	trans	-78	-40.3	176.4	64	0	0	0	0	111.3	I594 T595 F600 S601 I602	I594-S598 WeakPolarHBondContact CG2-OG 3.3Å; T595-S598 PolarHBondContact N-OG 3.3Å; T595-S598 PolarHBondContact O-N 3.32Å; T595-S598 PolarHBondContact O-OG 3.43Å; T595-S598 PolarHBondContact OG1-OG 3.43Å; S598-F600 PolarHBondContact O-N 2.94Å; S598-S601 PolarHBondContact O-N 2.96Å; S598-S601 VanDerWaalsContact O-N 3.15Å; S598-I602 WeakPolarHBondContact O-CB 3.25Å; S598-I602 WeakPolarHBondContact O-CD1 3.36Å; S598-I602 WeakPolarHBondContact O-CG1 3.09Å; S598-I602 PolarHBondContact O-N 3.06Å
599	G	89.3	Confident	81.4	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.4	-49	174.2	0	0	0	0	0	112.7	T595 S601 I602 E603	T595-G599 PolarHBondContact O-N 2.93Å; G599-S601 PolarHBondContact O-N 3.02Å; G599-I602 PolarHBondContact O-N 2.76Å; G599-E603 WeakPolarHBondContact O-CB 3.36Å; G599-E603 VanDerWaalsContact O-CG 3.25Å; G599-E603 WeakPolarHBondContact O-CG 3.47Å; G599-E603 PolarHBondContact O-N 2.79Å
600	F	92.4	Very high	83.1	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-52.5	-49.3	171.4	163.6	-103.7	0	0	0	112.7	V180 F201 F515 L518 T522 P596 S598 I602 E603 L604	V180-F600 HydrophobicContact CG2-CD1 4.48Å; V180-F600 HydrophobicContact CG2-CE1 4.02Å; F201-F600 HydrophobicContact CB-CZ 4.29Å; F201-F600 HydrophobicContact CD1-CE1 4.44Å; F201-F600 AromaticContact CD1-CZ 3.7Å; F201-F600 HydrophobicContact CD1-CZ 3.7Å; F201-F600 AromaticContact CD2-CZ 3.92Å; F201-F600 HydrophobicContact CD2-CZ 3.92Å; F201-F600 HydrophobicContact CE1-CE1 4.17Å; F201-F600 AromaticContact CE1-CZ 3.88Å; F201-F600 HydrophobicContact CE1-CZ 3.88Å; F201-F600 HydrophobicContact CE2-CE1 4.25Å; F201-F600 HydrophobicContact CE2-CZ 4.09Å; F201-F600 HydrophobicContact CG-CE2 4.44Å; F201-F600 AromaticContact CG-CZ 3.72Å; F201-F600 HydrophobicContact CG-CZ 3.72Å; F201-F600 HydrophobicContact CZ-CE1 4.07Å; F201-F600 HydrophobicContact CZ-CZ 4.08Å; F515-F600 HydrophobicContact CD1-CB 4.03Å; F515-F600 AromaticContact CD1-CD1 3.83Å; F515-F600 HydrophobicContact CD1-CD1 3.83Å; F515-F600 AromaticContact CD1-CG 3.95Å; F515-F600 HydrophobicContact CD1-CG 3.95Å; F515-F600 AromaticContact CE1-CD1 3.61Å; F515-F600 HydrophobicContact CE1-CD1 3.61Å; F515-F600 AromaticContact CE1-CE1 3.99Å; F515-F600 HydrophobicContact CE1-CE1 3.99Å; F515-F600 HydrophobicContact CE1-CG 4.19Å; L518-F600 HydrophobicContact CB-CD2 3.58Å; L518-F600 HydrophobicContact CB-CE2 3.87Å; L518-F600 HydrophobicContact CB-CG 4.22Å; L518-F600 HydrophobicContact CD1-CE2 4.3Å; L518-F600 HydrophobicContact CD1-CZ 4.4Å; L518-F600 HydrophobicContact CD2-CE2 4.01Å; L518-F600 HydrophobicContact CG-CD2 4.45Å; L518-F600 HydrophobicContact CG-CE2 4.29Å; T522-F600 HydrophobicContact CG2-CD2 3.42Å; T522-F600 VanDerWaalsContact CG2-CD2 3.42Å; T522-F600 HydrophobicContact CG2-CE2 3.54Å; P596-F600 VanDerWaalsContact O-CB 3.25Å; P596-F600 WeakPolarHBondContact O-CB 3.09Å; P596-F600 PolarHBondContact O-N 3.15Å; S598-F600 PolarHBondContact O-N 2.94Å; F600-I602 PolarHBondContact O-N 3.02Å; F600-E603 PolarHBondContact O-N 3.11Å; F600-L604 HydrophobicContact CE1-CD2 4.45Å; F600-L604 HydrophobicContact CE2-CD2 3.9Å; F600-L604 HydrophobicContact CZ-CD2 3.64Å; F600-L604 WeakPolarHBondContact O-CB 3.3Å; F600-L604 PolarHBondContact O-N 3.35Å
601	S	92.7	Very high	85.1	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.7	-35.1	-176.1	-55.6	0	0	0	0	112.4	S597 S598 G599 A605	S597-S601 PolarHBondContact O-N 3.23Å; S597-S601 PolarHBondContact O-OG 2.87Å; S598-S601 PolarHBondContact O-N 2.96Å; S598-S601 VanDerWaalsContact O-N 3.15Å; G599-S601 PolarHBondContact O-N 3.02Å; S601-A605 WeakPolarHBondContact O-CB 3.28Å; S601-A605 PolarHBondContact O-N 3.45Å
602	I	91.4	Very high	87.2	Confident	5 Å²	5	18.6 Å²	18.6	3%	0.026	11%	0.11	C	C	.	.	H	α-helix	trans	-70	-44.9	175.9	-69.8	162.3	0	0	0	110.8	T50 S598 G599 F600 S606 K626 V630 V633	T50-I602 HydrophobicContact CG2-CG2 4.33Å; S598-I602 WeakPolarHBondContact O-CB 3.25Å; S598-I602 WeakPolarHBondContact O-CD1 3.36Å; S598-I602 WeakPolarHBondContact O-CG1 3.09Å; S598-I602 PolarHBondContact O-N 3.06Å; G599-I602 PolarHBondContact O-N 2.76Å; F600-I602 PolarHBondContact O-N 3.02Å; I602-S606 WeakPolarHBondContact O-CB 3.34Å; I602-S606 PolarHBondContact O-N 3.39Å; I602-K626 HydrophobicContact CG2-CD 3.91Å; I602-V630 HydrophobicContact CD1-CG2 4.15Å; I602-V630 HydrophobicContact CG2-CG2 3.73Å; I602-V633 HydrophobicContact CD1-CB 4.1Å; I602-V633 HydrophobicContact CD1-CG1 4.12Å; I602-V633 HydrophobicContact CG1-CB 3.84Å; I602-V633 HydrophobicContact CG1-CG1 4.13Å; I602-V633 HydrophobicContact CG1-CG2 3.84Å
603	E	92.6	Very high	89.2	Confident	2 Å²	2	15.3 Å²	15.3	1%	0.009	9%	0.09	C	C	.	.	H	α-helix	trans	-66.7	-50.8	179.4	-72.9	162.6	-160.2	0	0	112.2	T50 Q519 T522 A523 G599 F600 A605 S606 A607 K626	T50-E603 WeakPolarHBondContact CB-OE1 3.47Å; T50-E603 VanDerWaalsContact OG1-CD 3.31Å; T50-E603 VanDerWaalsContact OG1-CG 3.32Å; T50-E603 WeakPolarHBondContact OG1-CG 2.72Å; T50-E603 PolarHBondContact OG1-OE1 3.06Å; Q519-E603 WeakPolarHBondContact CG-OE1 3.27Å; Q519-E603 VanDerWaalsContact CG-OE2 3.24Å; Q519-E603 WeakPolarHBondContact CG-OE2 3.3Å; Q519-E603 PolarHBondContact NE2-OE1 2.87Å; T522-E603 WeakPolarHBondContact CB-OE2 3.31Å; T522-E603 PolarHBondContact OG1-OE2 2.85Å; A523-E603 PolarHBondContact N-OE2 3.12Å; G599-E603 WeakPolarHBondContact O-CB 3.36Å; G599-E603 VanDerWaalsContact O-CG 3.25Å; G599-E603 WeakPolarHBondContact O-CG 3.47Å; G599-E603 PolarHBondContact O-N 2.79Å; F600-E603 PolarHBondContact O-N 3.11Å; E603-A605 PolarHBondContact O-N 3.2Å; E603-S606 PolarHBondContact O-N 3.31Å; E603-A607 VanDerWaalsContact O-CB 3.26Å; E603-A607 WeakPolarHBondContact O-CB 3.45Å; E603-A607 PolarHBondContact O-N 2.61Å; E603-K626 VanDerWaalsContact CG-NZ 3.29Å
604	L	94.1	Very high	90.7	Very high	18 Å²	18	11 Å²	11	9%	0.094	6%	0.063	C	C	.	.	H	α-helix	trans	-61	-44.9	-175.4	-176.5	52.5	0	0	0	112.3	L176 F201 T522 F525 F600 L608	L176-L604 HydrophobicContact CD1-CD2 4.45Å; L176-L604 HydrophobicContact CD2-CB 3.8Å; L176-L604 HydrophobicContact CD2-CD2 3.81Å; L176-L604 HydrophobicContact CD2-CG 3.96Å; F201-L604 HydrophobicContact CD1-CD2 4.4Å; T522-L604 HydrophobicContact CG2-CB 3.75Å; T522-L604 HydrophobicContact CG2-CD1 4.19Å; T522-L604 HydrophobicContact CG2-CG 4.37Å; F525-L604 HydrophobicContact CD1-CD1 3.71Å; F525-L604 HydrophobicContact CE1-CD1 3.72Å; F600-L604 HydrophobicContact CE1-CD2 4.45Å; F600-L604 HydrophobicContact CE2-CD2 3.9Å; F600-L604 HydrophobicContact CZ-CD2 3.64Å; F600-L604 WeakPolarHBondContact O-CB 3.3Å; F600-L604 PolarHBondContact O-N 3.35Å; L604-L608 WeakPolarHBondContact O-CB 3.15Å; L604-L608 PolarHBondContact O-N 3.49Å
605	A	94.6	Very high	91.6	Very high	3 Å²	3	11 Å²	11	3%	0.025	6%	0.062	C	C	.	.	H	α-helix	trans	-73.1	-36.3	-179.4	0	0	0	0	0	113.1	M172 S173 L176 S601 E603 T609	M172-A605 HydrophobicContact CB-CB 3.97Å; S173-A605 VanDerWaalsContact CA-CB 3.42Å; S173-A605 VanDerWaalsContact N-CB 3.31Å; L176-A605 HydrophobicContact CD2-CB 4.47Å; S601-A605 WeakPolarHBondContact O-CB 3.28Å; S601-A605 PolarHBondContact O-N 3.45Å; E603-A605 PolarHBondContact O-N 3.2Å; A605-T609 WeakPolarHBondContact O-CB 3.34Å; A605-T609 PolarHBondContact O-N 3.13Å; A605-T609 PolarHBondContact O-OG1 3.15Å
606	S	94.1	Very high	92	Very high	10 Å²	10	15.9 Å²	15.9	7%	0.07	9%	0.087	C	C	.	.	H	α-helix	trans	-64.4	-48.6	172.5	-170	0	0	0	0	111.2	S169 I602 E603 L608 T609 V610 C625 K626	S169-S606 WeakPolarHBondContact OG-CA 3.27Å; I602-S606 WeakPolarHBondContact O-CB 3.34Å; I602-S606 PolarHBondContact O-N 3.39Å; E603-S606 PolarHBondContact O-N 3.31Å; S606-L608 VanDerWaalsContact C-N 3.35Å; S606-L608 PolarHBondContact O-N 3.2Å; S606-T609 PolarHBondContact O-N 3.45Å; S606-V610 VanDerWaalsContact O-CG2 3.3Å; S606-V610 WeakPolarHBondContact O-CG2 3.33Å; S606-V610 PolarHBondContact O-N 2.69Å; S606-C625 WeakPolarHBondContact OG-CB 3.48Å; S606-K626 PolarHBondContact OG-N 2.97Å
607	A	94.9	Very high	92.1	Very high	3 Å²	3	15.5 Å²	15.5	3%	0.025	9%	0.085	C	C	.	.	H	α-helix	trans	-60	-43.3	177.5	0	0	0	0	0	112.2	F525 A529 E603 V610 V611	F525-A607 HydrophobicContact CB-CB 4.46Å; F525-A607 HydrophobicContact CD1-CB 3.51Å; F525-A607 HydrophobicContact CD2-CB 4.01Å; F525-A607 HydrophobicContact CE1-CB 3.57Å; F525-A607 HydrophobicContact CE2-CB 4.05Å; F525-A607 HydrophobicContact CG-CB 3.74Å; F525-A607 HydrophobicContact CZ-CB 3.85Å; A529-A607 HydrophobicContact CB-CB 4.17Å; E603-A607 VanDerWaalsContact O-CB 3.26Å; E603-A607 WeakPolarHBondContact O-CB 3.45Å; E603-A607 PolarHBondContact O-N 2.61Å; A607-V610 PolarHBondContact O-N 2.81Å; A607-V611 PolarHBondContact O-N 3.49Å
608	L	94.9	Very high	92.2	Very high	39 Å²	39	17.6 Å²	17.6	20%	0.204	10%	0.096	C	C	.	.	H	α-helix	trans	-61	-44.5	175.6	178.9	59	0	0	0	112.4	I208 L604 S606 V610 V611 I612	I208-L608 HydrophobicContact CD1-CD1 3.88Å; I208-L608 HydrophobicContact CG2-CD1 3.85Å; L604-L608 WeakPolarHBondContact O-CB 3.15Å; L604-L608 PolarHBondContact O-N 3.49Å; S606-L608 VanDerWaalsContact C-N 3.35Å; S606-L608 PolarHBondContact O-N 3.2Å; L608-V610 VanDerWaalsContact C-N 3.34Å; L608-V610 PolarHBondContact O-N 3.09Å; L608-V611 PolarHBondContact O-N 3.16Å; L608-I612 HydrophobicContact CD1-CD1 3.79Å; L608-I612 HydrophobicContact CD1-CG1 4.22Å; L608-I612 HydrophobicContact CG-CD1 3.92Å; L608-I612 WeakPolarHBondContact O-CB 3.35Å; L608-I612 VanDerWaalsContact O-CG1 3.27Å; L608-I612 WeakPolarHBondContact O-CG1 3.36Å; L608-I612 PolarHBondContact O-N 3.46Å
609	T	94.6	Very high	92.3	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.025	9%	0.094	C	C	.	.	H	α-helix	trans	-63.8	-41.7	179.2	-52.9	0	0	0	0	111.1	L168 S169 A605 S606 A613	L168-T609 HydrophobicContact CB-CG2 4.44Å; L168-T609 HydrophobicContact CD2-CG2 4.23Å; L168-T609 HydrophobicContact CG-CG2 4.33Å; S169-T609 WeakPolarHBondContact CA-OG1 3.41Å; A605-T609 WeakPolarHBondContact O-CB 3.34Å; A605-T609 PolarHBondContact O-N 3.13Å; A605-T609 PolarHBondContact O-OG1 3.15Å; S606-T609 PolarHBondContact O-N 3.45Å; T609-A613 PolarHBondContact O-N 3.09Å; T609-A613 VanDerWaalsContact O-N 3.13Å
610	V	94.6	Very high	92.4	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.024	10%	0.095	C	C	.	.	H	α-helix	trans	-63.4	-52.9	176.6	174.2	0	0	0	0	111	A529 N533 S606 A607 L608 I612 A613 S614 I620 T622 C625	A529-V610 HydrophobicContact CB-CB 4.09Å; A529-V610 HydrophobicContact CB-CG1 3.92Å; A529-V610 WeakPolarHBondContact O-CG1 3.44Å; N533-V610 HydrophobicContact CB-CG1 3.72Å; S606-V610 VanDerWaalsContact O-CG2 3.3Å; S606-V610 WeakPolarHBondContact O-CG2 3.33Å; S606-V610 PolarHBondContact O-N 2.69Å; A607-V610 PolarHBondContact O-N 2.81Å; L608-V610 VanDerWaalsContact C-N 3.34Å; L608-V610 PolarHBondContact O-N 3.09Å; V610-I612 VanDerWaalsContact C-N 3.3Å; V610-I612 PolarHBondContact O-N 3.42Å; V610-A613 PolarHBondContact O-N 3.23Å; V610-S614 PolarHBondContact O-N 3.45Å; V610-S614 PolarHBondContact O-OG 3.3Å; V610-I620 HydrophobicContact CG2-CD1 4.13Å; V610-T622 HydrophobicContact CG1-CG2 3.91Å; V610-T622 HydrophobicContact CG2-CG2 3.83Å; V610-C625 HydrophobicContact CG2-CB 4.3Å
611	V	93.6	Very high	92.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.5	-38.6	179.2	164.8	0	0	0	0	112.7	L77 I208 S212 F525 A529 A607 L608 S614 N615	L77-V611 HydrophobicContact CD1-CG2 4.33Å; I208-V611 HydrophobicContact CG2-CG1 4.48Å; S212-V611 WeakPolarHBondContact OG-CG1 3.28Å; F525-V611 HydrophobicContact CE2-CG2 3.78Å; F525-V611 HydrophobicContact CZ-CG2 4.36Å; A529-V611 HydrophobicContact CB-CG2 3.62Å; A607-V611 PolarHBondContact O-N 3.49Å; L608-V611 PolarHBondContact O-N 3.16Å; V611-S614 PolarHBondContact O-N 2.73Å; V611-N615 WeakPolarHBondContact O-CB 3.49Å; V611-N615 PolarHBondContact O-N 3.45Å; V611-N615 PolarHBondContact O-ND2 2.88Å; V611-N615 VanDerWaalsContact O-ND2 3.08Å
612	I	92.8	Very high	92.1	Very high	78 Å²	78	17.9 Å²	17.9	40%	0.4	10%	0.097	S	C	.	.	H	α-helix	trans	-61.5	-45	175.1	-70.5	167.8	0	0	0	110.7	L608 V610 I616	L608-I612 HydrophobicContact CD1-CD1 3.79Å; L608-I612 HydrophobicContact CD1-CG1 4.22Å; L608-I612 HydrophobicContact CG-CD1 3.92Å; L608-I612 WeakPolarHBondContact O-CB 3.35Å; L608-I612 VanDerWaalsContact O-CG1 3.27Å; L608-I612 WeakPolarHBondContact O-CG1 3.36Å; L608-I612 PolarHBondContact O-N 3.46Å; V610-I612 VanDerWaalsContact C-N 3.3Å; V610-I612 PolarHBondContact O-N 3.42Å; I612-I616 HydrophobicContact CG2-CD1 4.15Å; I612-I616 VanDerWaalsContact O-CG1 3.3Å; I612-I616 WeakPolarHBondContact O-CG1 3.23Å; I612-I616 PolarHBondContact O-N 3.08Å
613	A	92.3	Very high	91.9	Very high	11 Å²	11	17.8 Å²	17.8	9%	0.091	10%	0.097	C	C	.	.	H	α-helix	trans	-65.4	-44	177	0	0	0	0	0	112.5	T609 V610 N615 I616 G617 L618 I620	T609-A613 PolarHBondContact O-N 3.09Å; T609-A613 VanDerWaalsContact O-N 3.13Å; V610-A613 PolarHBondContact O-N 3.23Å; A613-N615 VanDerWaalsContact C-N 3.34Å; A613-N615 PolarHBondContact O-N 2.87Å; A613-I616 CarbonylContact O-C 3.59Å; A613-I616 PolarHBondContact O-N 2.83Å; A613-I616 VanDerWaalsContact O-N 3.12Å; A613-G617 PolarHBondContact O-N 3.34Å; A613-L618 HydrophobicContact CB-CB 4.47Å; A613-L618 PolarHBondContact O-N 2.87Å; A613-I620 HydrophobicContact CB-CB 4.47Å; A613-I620 HydrophobicContact CB-CD1 3.65Å; A613-I620 HydrophobicContact CB-CG1 3.86Å; A613-I620 HydrophobicContact CB-CG2 3.79Å
614	S	91.3	Very high	91.5	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.021	10%	0.097	C	C	.	.	H	α-helix	trans	-64.7	-35.4	179.5	-49.2	0	0	0	0	112.6	N533 V610 V611 G617	N533-S614 WeakPolarHBondContact CB-OG 3.38Å; N533-S614 PolarHBondContact OD1-OG 2.84Å; V610-S614 PolarHBondContact O-N 3.45Å; V610-S614 PolarHBondContact O-OG 3.3Å; V611-S614 PolarHBondContact O-N 2.73Å; S614-G617 WeakPolarHBondContact O-CA 3.14Å; S614-G617 PolarHBondContact O-N 3.44Å
615	N	88.9	Confident	91.3	Very high	21 Å²	21	16.9 Å²	16.9	11%	0.112	9%	0.092	C	C	.	.	H	α-helix	trans	-63.7	-39.5	172	-69.4	-26.6	0	0	0	112.2	S212 T216 V611 A613 G617	S212-N615 WeakPolarHBondContact CB-ND2 3.29Å; S212-N615 WeakPolarHBondContact CB-OD1 3.35Å; S212-N615 PolarHBondContact OG-ND2 2.93Å; S212-N615 PolarHBondContact OG-OD1 3.31Å; T216-N615 VanDerWaalsContact CG2-O 3.27Å; T216-N615 WeakPolarHBondContact CG2-O 3.34Å; T216-N615 WeakPolarHBondContact OG1-CB 3.31Å; T216-N615 VanDerWaalsContact OG1-CG 3.22Å; T216-N615 PolarHBondContact OG1-OD1 3.35Å; V611-N615 WeakPolarHBondContact O-CB 3.49Å; V611-N615 PolarHBondContact O-N 3.45Å; V611-N615 PolarHBondContact O-ND2 2.88Å; V611-N615 VanDerWaalsContact O-ND2 3.08Å; A613-N615 VanDerWaalsContact C-N 3.34Å; A613-N615 PolarHBondContact O-N 2.87Å; N615-G617 PolarHBondContact O-N 2.94Å
616	I	90.4	Very high	91	Very high	118 Å²	118	17.5 Å²	17.5	61%	0.605	9%	0.094	S	C	*	.	H	α-helix	trans	-72.7	-11.2	174	-57.3	168.4	0	0	0	110.8	I612 A613 L618	I612-I616 HydrophobicContact CG2-CD1 4.15Å; I612-I616 VanDerWaalsContact O-CG1 3.3Å; I612-I616 WeakPolarHBondContact O-CG1 3.23Å; I612-I616 PolarHBondContact O-N 3.08Å; A613-I616 CarbonylContact O-C 3.59Å; A613-I616 PolarHBondContact O-N 2.83Å; A613-I616 VanDerWaalsContact O-N 3.12Å; I616-L618 HydrophobicContact CB-CD1 4.41Å; I616-L618 HydrophobicContact CB-CG 4.43Å; I616-L618 HydrophobicContact CG2-CD1 3.9Å; I616-L618 HydrophobicContact CG2-CG 3.99Å
617	G	88.7	Confident	90.6	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.01	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	15.4	-177.8	0	0	0	0	0	113.7	T84 A613 S614 N615 P619	T84-G617 WeakPolarHBondContact CB-O 3.26Å; T84-G617 WeakPolarHBondContact CG2-O 3.49Å; T84-G617 PolarHBondContact OG1-O 2.95Å; A613-G617 PolarHBondContact O-N 3.34Å; S614-G617 WeakPolarHBondContact O-CA 3.14Å; S614-G617 PolarHBondContact O-N 3.44Å; N615-G617 PolarHBondContact O-N 2.94Å; G617-P619 WeakPolarHBondContact O-CD 3.42Å
618	L	90.3	Very high	90.3	Very high	46 Å²	46	19 Å²	19	24%	0.241	10%	0.104	C	C	.	.			trans	-85.1	117.6	-178.5	-70.7	171.8	0	0	0	111.1	A613 I616 I620	A613-L618 HydrophobicContact CB-CB 4.47Å; A613-L618 PolarHBondContact O-N 2.87Å; I616-L618 HydrophobicContact CB-CD1 4.41Å; I616-L618 HydrophobicContact CB-CG 4.43Å; I616-L618 HydrophobicContact CG2-CD1 3.9Å; I616-L618 HydrophobicContact CG2-CG 3.99Å; L618-I620 HydrophobicContact CB-CG2 4.4Å; L618-I620 PolarHBondContact O-N 2.9Å; L618-I620 VanDerWaalsContact O-N 3.12Å
619	P	89.7	Confident	90.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.094	C	C	.	.			trans	-72.6	102.4	174.8	28.8	-33.8	0	0	0	110.6	V81 T84 I85 T130 I158 W162 G617	V81-P619 HydrophobicContact CG1-CB 3.68Å; T84-P619 HydrophobicContact CG2-CG 4.27Å; I85-P619 HydrophobicContact CD1-CB 4.06Å; I85-P619 HydrophobicContact CG1-CB 4.05Å; I85-P619 HydrophobicContact CG1-CG 4.23Å; T130-P619 HydrophobicContact CG2-CB 3.65Å; I158-P619 HydrophobicContact CD1-CG 3.99Å; I158-P619 HydrophobicContact CG1-CG 4.18Å; I158-P619 HydrophobicContact CG2-CG 4.09Å; W162-P619 PolarHBondContact NE1-O 3.29Å; G617-P619 WeakPolarHBondContact O-CD 3.42Å
620	I	91.2	Very high	89.6	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.101	C	C	.	.			trans	-107	171.8	177.8	68.5	160.4	0	0	0	113.1	T130 N533 V610 A613 L618 C625	T130-I620 WeakPolarHBondContact CB-O 3.4Å; T130-I620 WeakPolarHBondContact CG2-O 3.5Å; T130-I620 PolarHBondContact OG1-O 3.42Å; N533-I620 PolarHBondContact ND2-O 3.33Å; V610-I620 HydrophobicContact CG2-CD1 4.13Å; A613-I620 HydrophobicContact CB-CB 4.47Å; A613-I620 HydrophobicContact CB-CD1 3.65Å; A613-I620 HydrophobicContact CB-CG1 3.86Å; A613-I620 HydrophobicContact CB-CG2 3.79Å; L618-I620 HydrophobicContact CB-CG2 4.4Å; L618-I620 PolarHBondContact O-N 2.9Å; L618-I620 VanDerWaalsContact O-N 3.12Å; I620-C625 VanDerWaalsContact CD1-SG 3.54Å
621	S	89.7	Confident	89.1	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.108	C	C	.	.			trans	-89.2	114.4	171.3	178.8	0	0	0	0	112	S128 H624 C625	S128-S621 WeakPolarHBondContact CB-OG 3.24Å; S128-S621 VanDerWaalsContact OG-CB 3.22Å; S128-S621 WeakPolarHBondContact OG-CB 3.25Å; S128-S621 PolarHBondContact OG-OG 3.3Å; S621-H624 VanDerWaalsContact CB-CG 3.49Å; S621-H624 PolarHBondContact O-N 3.22Å; S621-H624 PolarHBondContact OG-CD2 3.21Å; S621-H624 PolarHBondContact OG-N 3.37Å; S621-H624 VanDerWaalsContact OG-N 3.12Å; S621-H624 PolarHBondContact OG-NE2 2.86Å; S621-C625 PolarHBondContact O-N 3.46Å
622	T	89.9	Confident	88.8	Confident	8 Å²	8	20.6 Å²	20.6	5%	0.049	12%	0.117	C	C	.	.	H	α-helix	trans	-65	-40.1	173	54.6	0	0	0	0	111.6	N533 D534 V610 H624 C625 K626	N533-T622 HydrophobicContact CB-CG2 4.28Å; D534-T622 WeakPolarHBondContact OD2-CB 3.45Å; D534-T622 WeakPolarHBondContact OD2-CG2 3.31Å; D534-T622 PolarHBondContact OD2-OG1 3.04Å; V610-T622 HydrophobicContact CG1-CG2 3.91Å; V610-T622 HydrophobicContact CG2-CG2 3.83Å; T622-H624 VanDerWaalsContact C-N 3.33Å; T622-H624 PolarHBondContact O-N 2.95Å; T622-C625 PolarHBondContact O-N 3.18Å; T622-K626 PolarHBondContact O-N 3.06Å
623	T	85.9	Confident	88.6	Confident	3 Å²	3	17 Å²	17	2%	0.018	10%	0.098	C	C	.	.	H	α-helix	trans	-53.8	-45.3	172.2	-53	0	0	0	0	111.9	D43 N46 P126 I127 K626 V627	D43-T623 PolarHBondContact OD1-OG1 3.3Å; N46-T623 PolarHBondContact ND2-OG1 2.84Å; P126-T623 HydrophobicContact CB-CG2 4.22Å; I127-T623 VanDerWaalsContact O-CB 3.31Å; I127-T623 WeakPolarHBondContact O-CB 3.22Å; I127-T623 PolarHBondContact O-OG1 2.85Å; T623-K626 WeakPolarHBondContact O-CB 3.39Å; T623-K626 PolarHBondContact O-N 3.27Å; T623-V627 WeakPolarHBondContact O-CG2 3.44Å; T623-V627 PolarHBondContact O-N 2.9Å
624	H	84.9	Confident	88	Confident	2 Å²	2	17.2 Å²	17.2	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-75.4	-36.1	-175.3	-56.2	-176.4	0	0	0	111.9	H131 P166 S621 T622 K626 V627 G628 W654	H131-H624 AromaticContact CE1-CE1 3.23Å; H131-H624 PolarHBondContact CE1-CE1 3.38Å; H131-H624 AromaticContact CE1-ND1 3.74Å; H131-H624 AromaticContact ND1-CE1 3.86Å; H131-H624 AromaticContact NE2-CE1 3.77Å; P166-H624 HydrophobicContact CB-CB 4.33Å; P166-H624 WeakPolarHBondContact CB-O 3.38Å; P166-H624 HydrophobicContact CG-CB 3.55Å; S621-H624 VanDerWaalsContact CB-CG 3.49Å; S621-H624 PolarHBondContact O-N 3.22Å; S621-H624 PolarHBondContact OG-CD2 3.21Å; S621-H624 PolarHBondContact OG-N 3.37Å; S621-H624 VanDerWaalsContact OG-N 3.12Å; S621-H624 PolarHBondContact OG-NE2 2.86Å; T622-H624 VanDerWaalsContact C-N 3.33Å; T622-H624 PolarHBondContact O-N 2.95Å; H624-K626 VanDerWaalsContact C-N 3.31Å; H624-K626 PolarHBondContact O-N 3.47Å; H624-V627 PolarHBondContact O-N 2.98Å; H624-G628 PolarHBondContact O-N 2.77Å; H624-W654 HydrophobicContact CB-CH2 3.9Å; H624-W654 HydrophobicContact CB-CZ2 4.01Å; H624-W654 HydrophobicContact CB-CZ3 4.31Å; H624-W654 AromaticContact CD2-CE2 3.32Å; H624-W654 AromaticContact CD2-CZ2 3.41Å; H624-W654 VanDerWaalsContact CD2-CZ2 3.41Å; H624-W654 WeakPolarHBondContact CD2-CZ2 3.19Å; H624-W654 AromaticContact CD2-NE1 3.43Å; H624-W654 PolarHBondContact CD2-NE1 3.47Å; H624-W654 AromaticContact CE1-CD1 3.47Å; H624-W654 VanDerWaalsContact CE1-CD1 3.47Å; H624-W654 AromaticContact CE1-CD2 3.61Å; H624-W654 AromaticContact CE1-CE2 3.67Å; H624-W654 AromaticContact CE1-CG 3.47Å; H624-W654 VanDerWaalsContact CE1-CG 3.47Å; H624-W654 AromaticContact CE1-NE1 3.61Å; H624-W654 AromaticContact CG-CE2 3.66Å; H624-W654 AromaticContact CG-CH2 3.93Å; H624-W654 AromaticContact CG-CZ2 3.62Å; H624-W654 AromaticContact ND1-CD2 3.74Å; H624-W654 AromaticContact ND1-CE2 3.86Å; H624-W654 AromaticContact NE2-CD1 3.33Å; H624-W654 VanDerWaalsContact NE2-CD1 3.33Å; H624-W654 AromaticContact NE2-CD2 3.85Å; H624-W654 AromaticContact NE2-CE2 3.41Å; H624-W654 AromaticContact NE2-CG 3.78Å; H624-W654 AromaticContact NE2-NE1 3.1Å; H624-W654 PolarHBondContact NE2-NE1 2.92Å
625	C	90.8	Very high	87.5	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-56.8	-45.5	169.5	-72.2	0	0	0	0	111.6	S169 S606 V610 I620 S621 T622 G628 S629	S169-C625 WeakPolarHBondContact CB-O 3.31Å; S169-C625 PolarHBondContact OG-O 3.04Å; S169-C625 VanDerWaalsContact OG-O 3.07Å; S606-C625 WeakPolarHBondContact OG-CB 3.48Å; V610-C625 HydrophobicContact CG2-CB 4.3Å; I620-C625 VanDerWaalsContact CD1-SG 3.54Å; S621-C625 PolarHBondContact O-N 3.46Å; T622-C625 PolarHBondContact O-N 3.18Å; C625-G628 PolarHBondContact O-N 3.22Å; C625-S629 PolarHBondContact O-N 3.22Å; C625-S629 PolarHBondContact O-OG 3.37Å
626	K	88.6	Confident	87.2	Confident	16 Å²	16	24.6 Å²	24.6	7%	0.07	13%	0.132	C	C	.	.	H	α-helix	trans	-60.9	-48.4	178.3	-169.3	72.9	175.7	-154.5	0	111.4	N46 T50 I602 E603 S606 T622 T623 H624 S629 V630	N46-K626 HydrophobicContact CB-CB 4.43Å; N46-K626 HydrophobicContact CB-CG 4.45Å; N46-K626 VanDerWaalsContact O-CD 3.28Å; N46-K626 WeakPolarHBondContact O-CD 3.44Å; N46-K626 WeakPolarHBondContact O-CE 3.45Å; N46-K626 PolarHBondContact O-NZ 3.04Å; T50-K626 VanDerWaalsContact CG2-CE 3.47Å; T50-K626 PolarHBondContact OG1-NZ 3.34Å; I602-K626 HydrophobicContact CG2-CD 3.91Å; E603-K626 VanDerWaalsContact CG-NZ 3.29Å; S606-K626 PolarHBondContact OG-N 2.97Å; T622-K626 PolarHBondContact O-N 3.06Å; T623-K626 WeakPolarHBondContact O-CB 3.39Å; T623-K626 PolarHBondContact O-N 3.27Å; H624-K626 VanDerWaalsContact C-N 3.31Å; H624-K626 PolarHBondContact O-N 3.47Å; K626-S629 PolarHBondContact O-N 3.21Å; K626-V630 VanDerWaalsContact O-CG2 3.31Å; K626-V630 WeakPolarHBondContact O-CG2 3.31Å; K626-V630 PolarHBondContact O-N 2.85Å
627	V	84.6	Confident	86.5	Confident	34 Å²	34	21.1 Å²	21.1	21%	0.206	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-44.6	177.3	171.6	0	0	0	0	111.6	T623 H624 S629 V630 V631 F647 W654	T623-V627 WeakPolarHBondContact O-CG2 3.44Å; T623-V627 PolarHBondContact O-N 2.9Å; H624-V627 PolarHBondContact O-N 2.98Å; V627-S629 VanDerWaalsContact C-N 3.27Å; V627-S629 PolarHBondContact O-N 3.44Å; V627-V630 PolarHBondContact O-N 2.83Å; V627-V631 HydrophobicContact CG1-CG2 4.33Å; V627-V631 WeakPolarHBondContact O-CG2 3.02Å; V627-V631 PolarHBondContact O-N 2.91Å; V627-F647 HydrophobicContact CG1-CD2 4.37Å; V627-F647 HydrophobicContact CG1-CE2 4.36Å; V627-W654 HydrophobicContact CB-CH2 3.91Å; V627-W654 HydrophobicContact CB-CZ2 4.11Å; V627-W654 HydrophobicContact CG1-CH2 3.71Å; V627-W654 HydrophobicContact CG1-CZ2 4.1Å; V627-W654 HydrophobicContact CG2-CZ2 4.24Å
628	G	87.9	Confident	85.6	Confident	9 Å²	9	23.5 Å²	23.5	9%	0.093	13%	0.127	C	C	.	.	H	α-helix	trans	-56.6	-41.4	175.7	0	0	0	0	0	112.7	G170 H624 C625 S632	G170-G628 WeakPolarHBondContact CA-O 3.4Å; H624-G628 PolarHBondContact O-N 2.77Å; C625-G628 PolarHBondContact O-N 3.22Å; G628-S632 PolarHBondContact O-N 2.94Å
629	S	90.9	Very high	84.3	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.2	-44.4	174.9	-74.4	0	0	0	0	113.7	S169 S173 C625 K626 V627 V631 S632 V633	S169-S629 PolarHBondContact O-OG 3.11Å; S169-S629 VanDerWaalsContact O-OG 3.11Å; S169-S629 PolarHBondContact OG-OG 3.01Å; S173-S629 WeakPolarHBondContact CB-OG 3.42Å; S173-S629 VanDerWaalsContact OG-CA 3.27Å; S173-S629 WeakPolarHBondContact OG-CA 3.43Å; S173-S629 PolarHBondContact OG-OG 3.48Å; C625-S629 PolarHBondContact O-N 3.22Å; C625-S629 PolarHBondContact O-OG 3.37Å; K626-S629 PolarHBondContact O-N 3.21Å; V627-S629 VanDerWaalsContact C-N 3.27Å; V627-S629 PolarHBondContact O-N 3.44Å; S629-V631 VanDerWaalsContact C-N 3.33Å; S629-V631 PolarHBondContact O-N 3.02Å; S629-S632 PolarHBondContact O-N 2.9Å; S629-V633 WeakPolarHBondContact O-CG2 3.44Å; S629-V633 PolarHBondContact O-N 2.89Å
630	V	85.2	Confident	82.8	Confident	29 Å²	29	37 Å²	37	18%	0.176	18%	0.184	C	C	.	.	H	α-helix	trans	-58.5	-44.2	176.7	170.8	0	0	0	0	111.2	I602 K626 V627 G634	I602-V630 HydrophobicContact CD1-CG2 4.15Å; I602-V630 HydrophobicContact CG2-CG2 3.73Å; K626-V630 VanDerWaalsContact O-CG2 3.31Å; K626-V630 WeakPolarHBondContact O-CG2 3.31Å; K626-V630 PolarHBondContact O-N 2.85Å; V627-V630 PolarHBondContact O-N 2.83Å; V630-G634 WeakPolarHBondContact O-CA 3.43Å; V630-G634 PolarHBondContact O-N 3.37Å
631	V	83.5	Confident	81.1	Confident	27 Å²	27	39.3 Å²	39.3	16%	0.164	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-46.1	-179.9	170.6	0	0	0	0	111.6	V627 S629 G634 W635 V642 W644 F647	V627-V631 HydrophobicContact CG1-CG2 4.33Å; V627-V631 WeakPolarHBondContact O-CG2 3.02Å; V627-V631 PolarHBondContact O-N 2.91Å; S629-V631 VanDerWaalsContact C-N 3.33Å; S629-V631 PolarHBondContact O-N 3.02Å; V631-G634 PolarHBondContact O-N 2.93Å; V631-W635 WeakPolarHBondContact O-CB 3.42Å; V631-W635 PolarHBondContact O-N 2.65Å; V631-V642 HydrophobicContact CG1-CG1 4.2Å; V631-W644 HydrophobicContact CG1-CH2 4.45Å; V631-F647 HydrophobicContact CG2-CD2 3.68Å; V631-F647 HydrophobicContact CG2-CE2 4.07Å; V631-F647 HydrophobicContact CG2-CG 4.34Å
632	S	88.1	Confident	79.5	Confident	26 Å²	26	40.2 Å²	40.2	18%	0.182	21%	0.209	C	C	.	.	H	α-helix	trans	-64.3	-49.2	-179.2	-174.4	0	0	0	0	112.7	G170 G174 G628 S629 W635 L636	G170-S632 WeakPolarHBondContact O-CB 3.42Å; G170-S632 PolarHBondContact O-OG 3.4Å; G174-S632 WeakPolarHBondContact CA-OG 3.36Å; G628-S632 PolarHBondContact O-N 2.94Å; S629-S632 PolarHBondContact O-N 2.9Å; S632-W635 PolarHBondContact O-N 3.49Å; S632-L636 WeakPolarHBondContact O-CG 3.35Å; S632-L636 PolarHBondContact O-N 3.29Å
633	V	87.3	Confident	78.3	Confident	1 Å²	1	44 Å²	44	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-68.1	-37	178.6	175.6	0	0	0	0	111.2	F177 I602 S629 W635 L636 R637	F177-V633 HydrophobicContact CB-CG1 4.28Å; F177-V633 HydrophobicContact CB-CG2 3.91Å; F177-V633 HydrophobicContact CD1-CG1 3.96Å; F177-V633 HydrophobicContact CD2-CG1 3.86Å; F177-V633 HydrophobicContact CE1-CG1 4.23Å; F177-V633 HydrophobicContact CE2-CG1 4.15Å; F177-V633 HydrophobicContact CG-CG1 3.76Å; F177-V633 HydrophobicContact CG-CG2 4.3Å; F177-V633 HydrophobicContact CZ-CG1 4.33Å; I602-V633 HydrophobicContact CD1-CB 4.1Å; I602-V633 HydrophobicContact CD1-CG1 4.12Å; I602-V633 HydrophobicContact CG1-CB 3.84Å; I602-V633 HydrophobicContact CG1-CG1 4.13Å; I602-V633 HydrophobicContact CG1-CG2 3.84Å; S629-V633 WeakPolarHBondContact O-CG2 3.44Å; S629-V633 PolarHBondContact O-N 2.89Å; V633-W635 PolarHBondContact O-N 3.19Å; V633-L636 PolarHBondContact O-N 2.69Å; V633-R637 VanDerWaalsContact O-CB 3.26Å; V633-R637 WeakPolarHBondContact O-CB 3.32Å; V633-R637 PolarHBondContact O-N 3.34Å
634	G	80.8	Confident	77.4	Confident	16 Å²	16	50.3 Å²	50.3	17%	0.165	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-43.4	172.5	0	0	0	0	0	112.8	V630 V631 R637 S638	V630-G634 WeakPolarHBondContact O-CA 3.43Å; V630-G634 PolarHBondContact O-N 3.37Å; V631-G634 PolarHBondContact O-N 2.93Å; G634-R637 WeakPolarHBondContact O-CB 3.34Å; G634-R637 PolarHBondContact O-N 2.69Å; G634-S638 PolarHBondContact O-N 3.14Å; G634-S638 VanDerWaalsContact O-O 3.14Å
635	W	81.2	Confident	76.3	Confident	119 Å²	119	59 Å²	59	45%	0.451	29%	0.285	S	S	.	.	H	α-helix	trans	-67.8	-40.6	178.7	-174.5	76.6	0	0	0	113	V631 S632 V633 R637 S638 V642	V631-W635 WeakPolarHBondContact O-CB 3.42Å; V631-W635 PolarHBondContact O-N 2.65Å; S632-W635 PolarHBondContact O-N 3.49Å; V633-W635 PolarHBondContact O-N 3.19Å; W635-R637 VanDerWaalsContact C-N 3.29Å; W635-R637 PolarHBondContact O-N 2.81Å; W635-S638 CarbonylContact O-C 3.59Å; W635-V642 HydrophobicContact CB-CG2 4.04Å
636	L	81.5	Confident	74.6	Confident	60 Å²	60	64 Å²	64	31%	0.314	31%	0.311	S	S	.	.	H	α-helix	trans	-69.8	-24.3	174.3	-71.5	172	0	0	0	113.6	G174 F177 R181 S632 V633	G174-L636 VanDerWaalsContact CA-CD1 3.42Å; G174-L636 VanDerWaalsContact O-CD1 3.29Å; G174-L636 WeakPolarHBondContact O-CD1 3.5Å; F177-L636 HydrophobicContact CD1-CB 3.93Å; F177-L636 HydrophobicContact CD1-CD1 4.32Å; F177-L636 HydrophobicContact CE1-CB 4.19Å; R181-L636 PolarHBondContact NH1-O 3.07Å; S632-L636 WeakPolarHBondContact O-CG 3.35Å; S632-L636 PolarHBondContact O-N 3.29Å; V633-L636 PolarHBondContact O-N 2.69Å
637	R	76.2	Confident	73.2	Confident	46 Å²	46	65.7 Å²	65.7	17%	0.174	32%	0.319	C	S	.	.	H	α-helix	trans	-77.6	-52.1	172.6	177.6	-176.8	176.6	71.4	10.4	111	F177 D505 V633 G634 W635	F177-R637 HydrophobicContact CE1-CB 4.47Å; D505-R637 PolarHBondContact O-NH1 2.99Å; D505-R637 PolarHBondContact O-NH2 3.37Å; V633-R637 VanDerWaalsContact O-CB 3.26Å; V633-R637 WeakPolarHBondContact O-CB 3.32Å; V633-R637 PolarHBondContact O-N 3.34Å; G634-R637 WeakPolarHBondContact O-CB 3.34Å; G634-R637 PolarHBondContact O-N 2.69Å; W635-R637 VanDerWaalsContact C-N 3.29Å; W635-R637 PolarHBondContact O-N 2.81Å
638	S	68.9	Low	72.2	Confident	50 Å²	50	71.3 Å²	71.3	35%	0.35	34%	0.336	S	S	.	.			trans	-157.3	125.2	173.3	175.4	0	0	0	0	111.9	G634 W635 K640 A641	G634-S638 PolarHBondContact O-N 3.14Å; G634-S638 VanDerWaalsContact O-O 3.14Å; W635-S638 CarbonylContact O-C 3.59Å; S638-K640 PolarHBondContact O-N 2.68Å; S638-K640 PolarHBondContact OG-N 3.18Å; S638-A641 WeakPolarHBondContact O-CB 3.4Å; S638-A641 PolarHBondContact O-N 3.36Å
639	K	64.1	Low	70.7	Confident	155 Å²	155	75.1 Å²	75.1	67%	0.674	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.6	176.7	-63.9	-178.3	179.4	178.6	0	114
640	K	57.3	Low	68.9	Low	174 Å²	174	77.5 Å²	77.5	76%	0.757	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-16.1	174	-68.6	-175.7	-179	177.7	0	113.7	E502 S638	E502-K640 IonicContact OE1-NZ 3.27Å; S638-K640 PolarHBondContact O-N 2.68Å; S638-K640 PolarHBondContact OG-N 3.18Å
641	A	55.2	Low	67.7	Low	50 Å²	50	80.2 Å²	80.2	41%	0.413	38%	0.376	S	S	.	.	S	Bend	trans	-88.3	-3.6	-170.8	0	0	0	0	0	114.5	S638	S638-A641 WeakPolarHBondContact O-CB 3.4Å; S638-A641 PolarHBondContact O-N 3.36Å
642	V	57.6	Low	66.2	Low	19 Å²	19	84.4 Å²	84.4	12%	0.115	40%	0.395	C	S	.	.			trans	-102	110.8	175.9	178.1	0	0	0	0	108.9	V631 W635 W644	V631-V642 HydrophobicContact CG1-CG1 4.2Å; W635-V642 HydrophobicContact CB-CG2 4.04Å; V642-W644 HydrophobicContact CG1-CD2 4.17Å; V642-W644 HydrophobicContact CG1-CZ2 4.23Å; V642-W644 PolarHBondContact O-N 3.4Å; V642-W644 VanDerWaalsContact O-N 3.15Å
643	D	63	Low	64.4	Low	88 Å²	88	85.4 Å²	85.4	47%	0.471	41%	0.406	S	S	.	.			trans	-76	100.8	167.9	-179.7	22.3	0	0	0	110.4	R645 L646 F647	D643-R645 PolarHBondContact O-N 3.21Å; D643-R645 VanDerWaalsContact OD1-CB 3.27Å; D643-R645 WeakPolarHBondContact OD1-CB 3.49Å; D643-R645 PolarHBondContact OD1-N 2.83Å; D643-L646 HydrophobicContact CB-CB 4.1Å; D643-L646 PolarHBondContact O-N 3.31Å; D643-L646 WeakPolarHBondContact OD2-CB 3.45Å; D643-L646 PolarHBondContact OD2-N 2.8Å; D643-F647 PolarHBondContact O-N 3.01Å
644	W	68.6	Low	63.1	Low	136 Å²	136	86.8 Å²	86.8	52%	0.515	41%	0.41	S	S	.	.	H	α-helix	trans	-63.3	-19.3	174.3	-68.7	102.6	0	0	0	113.4	V631 V642 F647 R648	V631-W644 HydrophobicContact CG1-CH2 4.45Å; V642-W644 HydrophobicContact CG1-CD2 4.17Å; V642-W644 HydrophobicContact CG1-CZ2 4.23Å; V642-W644 PolarHBondContact O-N 3.4Å; V642-W644 VanDerWaalsContact O-N 3.15Å; W644-F647 AromaticContact CE3-CD1 3.95Å; W644-F647 HydrophobicContact CE3-CD1 3.95Å; W644-F647 AromaticContact CZ3-CD1 3.91Å; W644-F647 HydrophobicContact CZ3-CD1 3.91Å; W644-F647 HydrophobicContact CZ3-CE1 4.27Å; W644-R648 WeakPolarHBondContact O-CB 3.27Å; W644-R648 PolarHBondContact O-N 2.74Å
645	R	60.5	Low	61.6	Low	185 Å²	185	87.4 Å²	87.4	70%	0.698	41%	0.413	S	S	*	.	H	α-helix	trans	-73.4	-49.9	173.8	-59.7	179.3	173.7	-166.6	-2.5	110.6	D643 F647 R648 N649	D643-R645 PolarHBondContact O-N 3.21Å; D643-R645 VanDerWaalsContact OD1-CB 3.27Å; D643-R645 WeakPolarHBondContact OD1-CB 3.49Å; D643-R645 PolarHBondContact OD1-N 2.83Å; R645-F647 PolarHBondContact O-N 2.9Å; R645-R648 PolarHBondContact O-N 3.01Å; R645-N649 WeakPolarHBondContact O-CB 3.15Å; R645-N649 PolarHBondContact O-N 3.16Å; R645-N649 PolarHBondContact O-OD1 3.17Å
646	L	56.6	Low	59.9	Low	104 Å²	104	84.2 Å²	84.2	55%	0.545	41%	0.412	S	S	.	.	H	α-helix	trans	-55	-49.1	171.5	-179	63.2	0	0	0	111.4	D643 R648 N649 I650	D643-L646 HydrophobicContact CB-CB 4.1Å; D643-L646 PolarHBondContact O-N 3.31Å; D643-L646 WeakPolarHBondContact OD2-CB 3.45Å; D643-L646 PolarHBondContact OD2-N 2.8Å; L646-R648 PolarHBondContact O-N 3.36Å; L646-N649 PolarHBondContact O-N 3.18Å; L646-I650 HydrophobicContact CD1-CD1 4.03Å; L646-I650 HydrophobicContact CD1-CG1 4.39Å; L646-I650 HydrophobicContact CG-CD1 3.89Å; L646-I650 WeakPolarHBondContact O-CB 3.37Å; L646-I650 VanDerWaalsContact O-CG1 3.32Å; L646-I650 WeakPolarHBondContact O-CG1 3.48Å; L646-I650 PolarHBondContact O-N 3.25Å
647	F	58.3	Low	58.3	Low	52 Å²	52	83.2 Å²	83.2	23%	0.228	41%	0.406	C	S	.	.	H	α-helix	trans	-62.8	-43.7	178.8	-179.8	-107.2	0	0	0	112.9	V627 V631 D643 W644 R645 N649 I650 F651	V627-F647 HydrophobicContact CG1-CD2 4.37Å; V627-F647 HydrophobicContact CG1-CE2 4.36Å; V631-F647 HydrophobicContact CG2-CD2 3.68Å; V631-F647 HydrophobicContact CG2-CE2 4.07Å; V631-F647 HydrophobicContact CG2-CG 4.34Å; D643-F647 PolarHBondContact O-N 3.01Å; W644-F647 AromaticContact CE3-CD1 3.95Å; W644-F647 HydrophobicContact CE3-CD1 3.95Å; W644-F647 AromaticContact CZ3-CD1 3.91Å; W644-F647 HydrophobicContact CZ3-CD1 3.91Å; W644-F647 HydrophobicContact CZ3-CE1 4.27Å; R645-F647 PolarHBondContact O-N 2.9Å; F647-N649 VanDerWaalsContact C-N 3.32Å; F647-N649 PolarHBondContact O-N 3.18Å; F647-I650 PolarHBondContact O-N 3.27Å; F647-F651 WeakPolarHBondContact O-CB 3.18Å; F647-F651 PolarHBondContact O-N 2.9Å
648	R	63.6	Low	56.6	Low	152 Å²	152	82.6 Å²	82.6	57%	0.574	41%	0.409	S	S	*	.	H	α-helix	trans	-60.6	-42.7	174.6	-177.1	-167.3	68.2	174.5	3	111.3	W644 R645 L646 F651 M652	W644-R648 WeakPolarHBondContact O-CB 3.27Å; W644-R648 PolarHBondContact O-N 2.74Å; R645-R648 PolarHBondContact O-N 3.01Å; L646-R648 PolarHBondContact O-N 3.36Å; R648-F651 PolarHBondContact O-N 2.87Å; R648-M652 HydrophobicContact CG-CG 4.43Å; R648-M652 WeakPolarHBondContact O-CB 3.33Å; R648-M652 VanDerWaalsContact O-CG 3.23Å; R648-M652 WeakPolarHBondContact O-CG 3.19Å; R648-M652 PolarHBondContact O-N 2.99Å
649	N	56.1	Low	55	Low	88 Å²	88	86.2 Å²	86.2	47%	0.471	42%	0.419	S	S	.	.	H	α-helix	trans	-67.7	-36.4	179.7	-68.8	8.5	0	0	0	111.4	R645 L646 F647 A653	R645-N649 WeakPolarHBondContact O-CB 3.15Å; R645-N649 PolarHBondContact O-N 3.16Å; R645-N649 PolarHBondContact O-OD1 3.17Å; L646-N649 PolarHBondContact O-N 3.18Å; F647-N649 VanDerWaalsContact C-N 3.32Å; F647-N649 PolarHBondContact O-N 3.18Å; N649-A653 WeakPolarHBondContact O-CB 3.4Å; N649-A653 PolarHBondContact O-N 3.42Å
650	I	54.1	Low	53.8	Low	51 Å²	51	81.8 Å²	81.8	26%	0.262	41%	0.411	S	S	.	.	H	α-helix	trans	-64.5	-46.5	171.3	-71.9	168.3	0	0	0	111.2	L646 F647 M652 A653 W654	L646-I650 HydrophobicContact CD1-CD1 4.03Å; L646-I650 HydrophobicContact CD1-CG1 4.39Å; L646-I650 HydrophobicContact CG-CD1 3.89Å; L646-I650 WeakPolarHBondContact O-CB 3.37Å; L646-I650 VanDerWaalsContact O-CG1 3.32Å; L646-I650 WeakPolarHBondContact O-CG1 3.48Å; L646-I650 PolarHBondContact O-N 3.25Å; F647-I650 PolarHBondContact O-N 3.27Å; I650-M652 VanDerWaalsContact C-N 3.34Å; I650-M652 PolarHBondContact O-N 3.36Å; I650-A653 CarbonylContact O-C 3.51Å; I650-A653 WeakPolarHBondContact O-CA 3.3Å; I650-A653 WeakPolarHBondContact O-CB 3.45Å; I650-A653 PolarHBondContact O-N 3.12Å; I650-A653 VanDerWaalsContact O-N 3.09Å; I650-W654 HydrophobicContact CG2-CD2 3.9Å; I650-W654 HydrophobicContact CG2-CE3 4.34Å; I650-W654 HydrophobicContact CG2-CH2 3.8Å; I650-W654 HydrophobicContact CG2-CZ2 3.25Å; I650-W654 HydrophobicContact CG2-CZ3 4.3Å; I650-W654 VanDerWaalsContact O-CG 3.29Å; I650-W654 PolarHBondContact O-N 2.91Å
651	F	58.6	Low	52.9	Low	85 Å²	85	77.5 Å²	77.5	37%	0.373	40%	0.396	S	S	.	.	H	α-helix	trans	-63.6	-38.6	177	-175.7	-90.9	0	0	0	112.4	F163 F647 R648 W654 S655	F163-F651 HydrophobicContact CD1-CE2 4.17Å; F163-F651 HydrophobicContact CD1-CZ 4.35Å; F163-F651 HydrophobicContact CE1-CE2 4.15Å; F163-F651 HydrophobicContact CE1-CZ 4.06Å; F647-F651 WeakPolarHBondContact O-CB 3.18Å; F647-F651 PolarHBondContact O-N 2.9Å; R648-F651 PolarHBondContact O-N 2.87Å; F651-W654 HydrophobicContact CD2-CE3 4.36Å; F651-W654 PolarHBondContact O-N 3.43Å; F651-S655 WeakPolarHBondContact O-CB 3.3Å; F651-S655 PolarHBondContact O-N 3.03Å; F651-S655 PolarHBondContact O-OG 3.5Å
652	M	52.8	Low	51.8	Low	115 Å²	115	80.8 Å²	80.8	57%	0.567	40%	0.403	S	S	*	.	H	α-helix	trans	-66.5	-36.2	171.2	-71.8	-63	-64.2	0	0	111.8	R648 I650 S655 A656	R648-M652 HydrophobicContact CG-CG 4.43Å; R648-M652 WeakPolarHBondContact O-CB 3.33Å; R648-M652 VanDerWaalsContact O-CG 3.23Å; R648-M652 WeakPolarHBondContact O-CG 3.19Å; R648-M652 PolarHBondContact O-N 2.99Å; I650-M652 VanDerWaalsContact C-N 3.34Å; I650-M652 PolarHBondContact O-N 3.36Å; M652-S655 CarbonylContact O-C 3.5Å; M652-S655 PolarHBondContact O-N 3.22Å; M652-A656 WeakPolarHBondContact O-CB 3.36Å; M652-A656 PolarHBondContact O-N 2.9Å
653	A	50.8	Low	50.5	Low	48 Å²	48	85.6 Å²	85.6	40%	0.397	43%	0.427	S	S	.	.	H	α-helix	trans	-66.1	-41.2	174	0	0	0	0	0	111.8	N649 I650 A656 D657	N649-A653 WeakPolarHBondContact O-CB 3.4Å; N649-A653 PolarHBondContact O-N 3.42Å; I650-A653 CarbonylContact O-C 3.51Å; I650-A653 WeakPolarHBondContact O-CA 3.3Å; I650-A653 WeakPolarHBondContact O-CB 3.45Å; I650-A653 PolarHBondContact O-N 3.12Å; I650-A653 VanDerWaalsContact O-N 3.09Å; A653-A656 CarbonylContact O-C 3.39Å; A653-A656 WeakPolarHBondContact O-CA 3.38Å; A653-A656 WeakPolarHBondContact O-CB 3.22Å; A653-A656 PolarHBondContact O-N 2.96Å; A653-A656 VanDerWaalsContact O-N 3.08Å; A653-D657 PolarHBondContact O-N 3.07Å
654	W	58.4	Low	49.1	Very low	29 Å²	29	89.2 Å²	89.2	11%	0.11	44%	0.441	C	S	.	.	H	α-helix	trans	-67	-36.5	173.8	-58.1	-24	0	0	0	112.9	H624 V627 I650 F651 A656 S658	H624-W654 HydrophobicContact CB-CH2 3.9Å; H624-W654 HydrophobicContact CB-CZ2 4.01Å; H624-W654 HydrophobicContact CB-CZ3 4.31Å; H624-W654 AromaticContact CD2-CE2 3.32Å; H624-W654 AromaticContact CD2-CZ2 3.41Å; H624-W654 VanDerWaalsContact CD2-CZ2 3.41Å; H624-W654 WeakPolarHBondContact CD2-CZ2 3.19Å; H624-W654 AromaticContact CD2-NE1 3.43Å; H624-W654 PolarHBondContact CD2-NE1 3.47Å; H624-W654 AromaticContact CE1-CD1 3.47Å; H624-W654 VanDerWaalsContact CE1-CD1 3.47Å; H624-W654 AromaticContact CE1-CD2 3.61Å; H624-W654 AromaticContact CE1-CE2 3.67Å; H624-W654 AromaticContact CE1-CG 3.47Å; H624-W654 VanDerWaalsContact CE1-CG 3.47Å; H624-W654 AromaticContact CE1-NE1 3.61Å; H624-W654 AromaticContact CG-CE2 3.66Å; H624-W654 AromaticContact CG-CH2 3.93Å; H624-W654 AromaticContact CG-CZ2 3.62Å; H624-W654 AromaticContact ND1-CD2 3.74Å; H624-W654 AromaticContact ND1-CE2 3.86Å; H624-W654 AromaticContact NE2-CD1 3.33Å; H624-W654 VanDerWaalsContact NE2-CD1 3.33Å; H624-W654 AromaticContact NE2-CD2 3.85Å; H624-W654 AromaticContact NE2-CE2 3.41Å; H624-W654 AromaticContact NE2-CG 3.78Å; H624-W654 AromaticContact NE2-NE1 3.1Å; H624-W654 PolarHBondContact NE2-NE1 2.92Å; V627-W654 HydrophobicContact CB-CH2 3.91Å; V627-W654 HydrophobicContact CB-CZ2 4.11Å; V627-W654 HydrophobicContact CG1-CH2 3.71Å; V627-W654 HydrophobicContact CG1-CZ2 4.1Å; V627-W654 HydrophobicContact CG2-CZ2 4.24Å; I650-W654 HydrophobicContact CG2-CD2 3.9Å; I650-W654 HydrophobicContact CG2-CE3 4.34Å; I650-W654 HydrophobicContact CG2-CH2 3.8Å; I650-W654 HydrophobicContact CG2-CZ2 3.25Å; I650-W654 HydrophobicContact CG2-CZ3 4.3Å; I650-W654 VanDerWaalsContact O-CG 3.29Å; I650-W654 PolarHBondContact O-N 2.91Å; F651-W654 HydrophobicContact CD2-CE3 4.36Å; F651-W654 PolarHBondContact O-N 3.43Å; W654-A656 VanDerWaalsContact C-N 3.25Å; W654-S658 PolarHBondContact O-N 2.97Å; W654-S658 PolarHBondContact O-OG 3.32Å
655	S	50.1	Low	47.6	Very low	30 Å²	30	88.6 Å²	88.6	21%	0.21	44%	0.444	C	S	.	.	H	α-helix	trans	-66.2	-30.8	170.6	-54.8	0	0	0	0	111.5	F651 M652 K659	F651-S655 WeakPolarHBondContact O-CB 3.3Å; F651-S655 PolarHBondContact O-N 3.03Å; F651-S655 PolarHBondContact O-OG 3.5Å; M652-S655 CarbonylContact O-C 3.5Å; M652-S655 PolarHBondContact O-N 3.22Å; S655-K659 WeakPolarHBondContact O-CB 3.27Å; S655-K659 VanDerWaalsContact O-CG 3.3Å; S655-K659 WeakPolarHBondContact O-CG 3.29Å; S655-K659 PolarHBondContact O-N 2.89Å
656	A	46.5	Very low	46.3	Very low	52 Å²	52	84.9 Å²	84.9	43%	0.43	44%	0.441	S	S	.	.	H	α-helix	trans	-82.5	-33.6	177.5	0	0	0	0	0	113.2	M652 A653 W654 S658 K659 A660	M652-A656 WeakPolarHBondContact O-CB 3.36Å; M652-A656 PolarHBondContact O-N 2.9Å; A653-A656 CarbonylContact O-C 3.39Å; A653-A656 WeakPolarHBondContact O-CA 3.38Å; A653-A656 WeakPolarHBondContact O-CB 3.22Å; A653-A656 PolarHBondContact O-N 2.96Å; A653-A656 VanDerWaalsContact O-N 3.08Å; W654-A656 VanDerWaalsContact C-N 3.25Å; A656-S658 VanDerWaalsContact C-N 3.31Å; A656-K659 CarbonylContact O-C 3.58Å; A656-K659 PolarHBondContact O-N 3.47Å; A656-A660 WeakPolarHBondContact O-CB 3.45Å; A656-A660 PolarHBondContact O-N 2.85Å
657	D	47	Very low	45.1	Very low	38 Å²	38	85.9 Å²	85.9	20%	0.203	45%	0.452	C	S	.	.	H	α-helix	trans	-58.5	-47.7	169.1	-85.5	-32.3	0	0	0	109.4	A653 K659 A660 L661	A653-D657 PolarHBondContact O-N 3.07Å; D657-K659 PolarHBondContact O-N 2.94Å; D657-A660 PolarHBondContact O-N 3.01Å; D657-L661 WeakPolarHBondContact O-CD1 3.16Å; D657-L661 WeakPolarHBondContact O-CG 3.16Å; D657-L661 PolarHBondContact O-N 3.21Å
658	S	40.1	Very low	44.1	Very low	34 Å²	34	86.8 Å²	86.8	24%	0.238	48%	0.476	C	S	.	.	H	α-helix	trans	-59.5	-36	177.5	-52.2	0	0	0	0	111.9	W654 A656	W654-S658 PolarHBondContact O-N 2.97Å; W654-S658 PolarHBondContact O-OG 3.32Å; A656-S658 VanDerWaalsContact C-N 3.31Å
659	K	36.6	Very low	42.7	Very low	126 Å²	126	89.6 Å²	89.6	55%	0.548	51%	0.51	S	S	.	.	H	α-helix	trans	-88.9	-23.7	179.5	-74.1	-172.9	167.4	-162.9	0	115.2	S655 A656 D657 L661 E662 L663	S655-K659 WeakPolarHBondContact O-CB 3.27Å; S655-K659 VanDerWaalsContact O-CG 3.3Å; S655-K659 WeakPolarHBondContact O-CG 3.29Å; S655-K659 PolarHBondContact O-N 2.89Å; A656-K659 CarbonylContact O-C 3.58Å; A656-K659 PolarHBondContact O-N 3.47Å; D657-K659 PolarHBondContact O-N 2.94Å; K659-L661 PolarHBondContact O-N 3.34Å; K659-E662 WeakPolarHBondContact CG-OE2 3.38Å; K659-E662 CarbonylContact O-C 3.51Å; K659-E662 PolarHBondContact O-N 2.78Å; K659-L663 WeakPolarHBondContact O-CB 3.4Å; K659-L663 VanDerWaalsContact O-CG 3.27Å; K659-L663 WeakPolarHBondContact O-CG 3.38Å; K659-L663 PolarHBondContact O-N 3.46Å
660	A	37.2	Very low	42.1	Very low	62 Å²	62	89.7 Å²	89.7	51%	0.512	51%	0.512	S	S	.	.	H	α-helix	trans	-70.7	-27.6	174.6	0	0	0	0	0	110.6	A656 D657	A656-A660 WeakPolarHBondContact O-CB 3.45Å; A656-A660 PolarHBondContact O-N 2.85Å; D657-A660 PolarHBondContact O-N 3.01Å
661	L	39.2	Very low	41.4	Very low	83 Å²	83	91.7 Å²	91.7	44%	0.435	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-31.4	168.4	-69.3	165	0	0	0	112.8	D657 K659	D657-L661 WeakPolarHBondContact O-CD1 3.16Å; D657-L661 WeakPolarHBondContact O-CG 3.16Å; D657-L661 PolarHBondContact O-N 3.21Å; K659-L661 PolarHBondContact O-N 3.34Å
662	E	33.3	Very low	40.5	Very low	119 Å²	119	92.1 Å²	92.1	56%	0.556	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-36.9	169.9	-66	176.5	147.5	0	0	112.2	K659 H664 E665	K659-E662 WeakPolarHBondContact CG-OE2 3.38Å; K659-E662 CarbonylContact O-C 3.51Å; K659-E662 PolarHBondContact O-N 2.78Å; E662-H664 PolarHBondContact O-N 2.83Å; E662-E665 WeakPolarHBondContact O-CB 3.46Å; E662-E665 PolarHBondContact O-N 2.72Å
663	L	28.9	Very low	39.8	Very low	120 Å²	120	90.7 Å²	90.7	63%	0.628	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-70.6	1	-169.8	-83.5	166	0	0	0	115.9	K659	K659-L663 WeakPolarHBondContact O-CB 3.4Å; K659-L663 VanDerWaalsContact O-CG 3.27Å; K659-L663 WeakPolarHBondContact O-CG 3.38Å; K659-L663 PolarHBondContact O-N 3.46Å
664	H	34	Very low	39.1	Very low	164 Å²	164	93.4 Å²	93.4	76%	0.759	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-78.4	-4.7	164.2	-118.7	-65.1	0	0	0	113.5	E662	E662-H664 PolarHBondContact O-N 2.83Å
665	E	37.8	Very low	37.8	Very low	123 Å²	123	97.7 Å²	97.7	58%	0.575	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-86.8	-0.5	-178.2	-159.6	168.4	-149.4	0	0	114	E662	E662-E665 WeakPolarHBondContact O-CB 3.46Å; E662-E665 PolarHBondContact O-N 2.72Å
666	V	33	Very low	36.9	Very low	107 Å²	107	102.5 Å²	102.5	65%	0.648	59%	0.594	S	S	*	*	S	Bend	trans	-122.6	17.4	-169.5	-156	0	0	0	0	114.5
667	T	31	Very low	36.2	Very low	126 Å²	126	106.4 Å²	106.4	77%	0.773	61%	0.607	S	S	*	*	S	Bend	trans	-128.9	33.3	172	48	0	0	0	0	112.6
668	G	38.3	Very low	35.3	Very low	70 Å²	70	112.1 Å²	112.1	72%	0.722	64%	0.641	S	S	*	*			trans	-129.4	23.5	-174.8	0	0	0	0	0	115.7
669	T	34	Very low	34.8	Very low	211 Å²	211	119.2 Å²	119.2	100%	1.294	68%	0.677	S	S	*	*			trans	-140.9	0	174.6	58.5	0	0	0	0	111

Retrieved 669 of 669 residues in 2993.2 ms (Link to these results)

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