A0A5K4F8W3_SCHMA Loading...

Nuclear receptor domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8W3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 517 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.2	Very low	27.4	Very low	241 Å²	241	177.5 Å²	177.5	100%	1.187	86%	0.858	S	S	*	*				0	114.3	0	-85.6	177.5	158.1	0	0	108.6
2	K	32.5	Very low	27.2	Very low	197 Å²	197	171.3 Å²	171.3	86%	0.857	85%	0.847	S	S	*	*			trans	53.1	104	164.1	-59.1	-176.9	177.9	-177.8	0	117.9
3	E	26.5	Very low	27.3	Very low	177 Å²	177	166.6 Å²	166.6	83%	0.827	84%	0.841	S	S	*	*				61.2	126.7	75.1	-68.3	-175	156.4	0	0	112.6
4	N	31.3	Very low	27	Very low	135 Å²	135	162.6 Å²	162.6	72%	0.722	83%	0.834	S	S	*	*			cis	-156.9	132.9	48.4	-79.9	-46.7	0	0	0	108.9
5	K	27.4	Very low	27.2	Very low	190 Å²	190	164.9 Å²	164.9	83%	0.826	84%	0.836	S	S	*	*				47	103.5	64.7	-85.6	-171.1	-177.5	176.1	0	116.6
6	Y	26	Very low	27.2	Very low	227 Å²	227	165.1 Å²	165.1	89%	0.89	84%	0.837	S	S	*	*			trans	-145.1	117	136.7	-95.2	-81.7	0	0	0	109.8
7	S	23.4	Very low	27.3	Very low	109 Å²	109	160.8 Å²	160.8	76%	0.762	83%	0.833	S	S	*	*			trans	-138.1	136.4	166.1	-50.2	0	0	0	0	105.4
8	I	28.1	Very low	27.3	Very low	168 Å²	168	161.1 Å²	161.1	86%	0.862	84%	0.836	S	S	*	*			trans	-157.8	133.9	152.9	-90.1	135.9	0	0	0	108.7
9	N	24.4	Very low	27.4	Very low	146 Å²	146	158.5 Å²	158.5	78%	0.781	82%	0.824	S	S	*	*			trans	-85.7	173.2	-177.6	-75.6	-52.6	0	0	0	113.6
10	K	25.8	Very low	27.6	Very low	191 Å²	191	156.9 Å²	156.9	83%	0.83	83%	0.827	S	S	*	*			trans	77.4	116.1	145.8	-87.4	176	173.8	179.2	0	118.4
11	L	26	Very low	27.9	Very low	171 Å²	171	159.5 Å²	159.5	90%	0.895	83%	0.825	S	S	*	*				-165.9	134.5	105.8	-125.7	77.3	0	0	0	111.7
12	S	24.4	Very low	28.1	Very low	103 Å²	103	151.5 Å²	151.5	72%	0.72	79%	0.793	S	S	*	*			trans	-84.7	156.7	174.1	43.5	0	0	0	0	112.6
13	S	28.7	Very low	28.6	Very low	111 Å²	111	148 Å²	148	78%	0.776	78%	0.784	S	S	*	*			trans	109.2	124.8	145.4	75.2	0	0	0	0	120
14	C	22.7	Very low	29.5	Very low	110 Å²	110	148.5 Å²	148.5	74%	0.743	78%	0.779	S	S	*	*			trans	81.1	102.3	140.9	-74.4	0	0	0	0	121.6
15	K	29.8	Very low	30.2	Very low	198 Å²	198	152.4 Å²	152.4	86%	0.861	78%	0.784	S	S	*	*				145.4	122.6	101.5	-88.7	167.9	-176.3	-178.7	0	113.5
16	I	27.2	Very low	31.5	Very low	167 Å²	167	145.7 Å²	145.7	86%	0.856	76%	0.757	S	S	*	*			trans	-10.3	122.3	160.2	-53	169	0	0	0	116.3
17	A	30.3	Very low	33	Very low	93 Å²	93	139.3 Å²	139.3	77%	0.769	74%	0.738	S	S	*	*			trans	-146.9	132.5	150.5	0	0	0	0	0	108.9	D19	A17-D19 PolarHBondContact O-N 3.12Å
18	N	26.7	Very low	35.5	Very low	166 Å²	166	141.3 Å²	141.3	89%	0.888	74%	0.74	S	S	*	*			trans	-59.9	122.3	-178.4	-63.7	-38.8	0	0	0	111.1
19	D	29.7	Very low	38.4	Very low	112 Å²	112	135.6 Å²	135.6	60%	0.599	71%	0.71	S	S	*	*			trans	-137.4	107.3	169.6	-166.8	10.5	0	0	0	110.8	A17 R21	A17-D19 PolarHBondContact O-N 3.12Å; D19-R21 PolarHBondContact O-N 3.01Å
20	S	30.4	Very low	41.8	Very low	126 Å²	126	132.4 Å²	132.4	88%	0.881	70%	0.698	S	S	*	*			trans	-76.2	56.9	177.9	36.5	0	0	0	0	111.7
21	R	34.6	Very low	45.2	Very low	211 Å²	211	123.5 Å²	123.5	80%	0.796	66%	0.659	S	S	*	*			trans	-146.7	79.8	176.2	-72.2	-175.3	177.1	136.6	-3.4	112.9	D19	D19-R21 PolarHBondContact O-N 3.01Å
22	S	35	Very low	48.5	Very low	74 Å²	74	117.5 Å²	117.5	52%	0.517	64%	0.639	S	S	.	*			trans	-153.7	64.6	178	71.8	0	0	0	0	116.1	L26	S22-L26 WeakPolarHBondContact O-CD1 3.4Å
23	N	42.1	Very low	52.1	Low	124 Å²	124	112.6 Å²	112.6	66%	0.663	61%	0.605	S	S	*	*	S	Bend	trans	-94.6	-12	168.5	-106.8	-28.8	0	0	0	114.7	L26	N23-L26 WeakPolarHBondContact OD1-CD1 3.48Å
24	Y	44.8	Very low	55.4	Low	186 Å²	186	107.6 Å²	107.6	73%	0.729	57%	0.57	S	S	*	*	S	Bend	trans	-97.6	-7.4	-175.8	-58.1	-84.2	0	0	0	114.9
25	R	45.7	Very low	58.9	Low	218 Å²	218	104.7 Å²	104.7	82%	0.823	56%	0.559	S	S	*	*	S	Bend	trans	-91	-2.4	170.8	-63.7	-173.4	-169.5	153.1	4.3	113.3
26	L	55.4	Low	62.1	Low	49 Å²	49	96.8 Å²	96.8	26%	0.257	53%	0.526	S	S	.	.	S	Bend	trans	-87.5	-19.7	-173.5	-77	164.6	0	0	0	114.6	S22 N23 N28 I29 Y46	S22-L26 WeakPolarHBondContact O-CD1 3.4Å; N23-L26 WeakPolarHBondContact OD1-CD1 3.48Å; L26-N28 PolarHBondContact O-N 3.21Å; L26-I29 HydrophobicContact CD2-CD1 3.36Å; L26-I29 HydrophobicContact CD2-CG1 4.32Å; L26-I29 HydrophobicContact CG-CD1 4.41Å; L26-I29 PolarHBondContact O-N 3.08Å; L26-Y46 HydrophobicContact CD2-CD1 4.37Å; L26-Y46 HydrophobicContact CD2-CE1 3.27Å; L26-Y46 HydrophobicContact CD2-CE2 4.48Å; L26-Y46 WeakPolarHBondContact CD2-OH 3.39Å
27	L	57.4	Low	65.2	Low	93 Å²	93	96.3 Å²	96.3	49%	0.487	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.3	-174.1	-78.5	155.3	0	0	0	114.7	R37	L27-R37 VanDerWaalsContact CD2-NH2 3.26Å
28	N	75.7	Confident	68.3	Low	150 Å²	150	92.4 Å²	92.4	80%	0.802	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	13	178.2	-77.7	-13.1	0	0	0	113.5	L26 P30	L26-N28 PolarHBondContact O-N 3.21Å; N28-P30 VanDerWaalsContact O-CD 3.29Å; N28-P30 WeakPolarHBondContact O-CD 3.21Å
29	I	89.6	Confident	71.4	Confident	48 Å²	48	88.2 Å²	88.2	25%	0.246	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-76.4	119.2	176.3	-56.9	-168.3	0	0	0	109.1	L26 S38 Y46	L26-I29 HydrophobicContact CD2-CD1 3.36Å; L26-I29 HydrophobicContact CD2-CG1 4.32Å; L26-I29 HydrophobicContact CG-CD1 4.41Å; L26-I29 PolarHBondContact O-N 3.08Å; I29-S38 WeakPolarHBondContact O-CB 3.46Å; I29-S38 PolarHBondContact O-N 3.43Å; I29-Y46 HydrophobicContact CB-CD1 4.39Å; I29-Y46 HydrophobicContact CB-CG 4.42Å; I29-Y46 HydrophobicContact CD1-CD1 4.27Å; I29-Y46 HydrophobicContact CD1-CD2 4.28Å; I29-Y46 HydrophobicContact CD1-CE1 4.01Å; I29-Y46 HydrophobicContact CD1-CE2 4Å; I29-Y46 HydrophobicContact CD1-CG 4.41Å; I29-Y46 HydrophobicContact CG2-CD1 4.1Å; I29-Y46 HydrophobicContact CG2-CD2 3.96Å; I29-Y46 HydrophobicContact CG2-CG 3.64Å
30	P	95	Very high	74.3	Confident	79 Å²	79	84 Å²	84	51%	0.513	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-72.1	151	176.9	30.6	-34.4	0	0	0	110.5	N28 G32	N28-P30 VanDerWaalsContact O-CD 3.29Å; N28-P30 WeakPolarHBondContact O-CD 3.21Å; P30-G32 PolarHBondContact O-N 2.84Å
31	C	97.6	Very high	77.4	Confident	4 Å²	4	84.5 Å²	84.5	3%	0.027	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-60.7	122.3	173.5	171.3	0	0	0	0	109.9	V33 C34 G35 D36 Y46 C48	C31-V33 PolarHBondContact O-N 3.46Å; C31-V33 PolarHBondContact SG-N 3.45Å; C31-C34 PolarHBondContact O-N 3.48Å; C31-G35 WeakPolarHBondContact O-CA 3.18Å; C31-G35 PolarHBondContact O-N 2.95Å; C31-D36 WeakPolarHBondContact CB-O 3.32Å; C31-D36 PolarHBondContact N-O 2.94Å; C31-Y46 WeakPolarHBondContact CA-O 3.11Å; C31-C48 HydrophobicContact CB-CB 4.18Å
32	G	96.5	Very high	80.4	Confident	45 Å²	45	77 Å²	77	46%	0.464	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-9.2	179.3	0	0	0	0	0	115	P30 Y46	P30-G32 PolarHBondContact O-N 2.84Å; G32-Y46 PolarHBondContact N-O 3.49Å
33	V	98.2	Very high	83.3	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.006	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-54.8	178.1	-176.7	0	0	0	0	112.1	C31 C51 I79 R91 K94 A98 M100	C31-V33 PolarHBondContact O-N 3.46Å; C31-V33 PolarHBondContact SG-N 3.45Å; V33-C51 HydrophobicContact CB-CB 4.25Å; V33-C51 HydrophobicContact CG2-CB 4.42Å; V33-I79 HydrophobicContact CG1-CG2 4.21Å; V33-R91 HydrophobicContact CG1-CG 4.49Å; V33-K94 HydrophobicContact CG1-CB 4.29Å; V33-K94 HydrophobicContact CG1-CG 4.34Å; V33-K94 WeakPolarHBondContact O-CD 3.34Å; V33-K94 WeakPolarHBondContact O-CE 3.35Å; V33-K94 PolarHBondContact O-NZ 3.48Å; V33-A98 HydrophobicContact CG2-CB 4.04Å; V33-M100 HydrophobicContact CG2-CE 3.57Å; V33-M100 HydrophobicContact CG2-SD 4.17Å
34	C	98.1	Very high	85.9	Confident	5 Å²	5	72.2 Å²	72.2	3%	0.034	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-1.6	-170.7	68.7	0	0	0	0	114.7	C31 D36 I79 D80 R81 R84	C31-C34 PolarHBondContact O-N 3.48Å; C34-D36 PolarHBondContact O-N 2.85Å; C34-D36 WeakPolarHBondContact SG-CB 3.32Å; C34-I79 HydrophobicContact CB-CG2 4.16Å; C34-D80 CarbonylContact O-C 3.56Å; C34-D80 VanDerWaalsContact O-C 3.26Å; C34-D80 VanDerWaalsContact O-CA 3.3Å; C34-D80 WeakPolarHBondContact O-CA 3Å; C34-R81 PolarHBondContact O-N 3.34Å; C34-R84 HydrophobicContact CB-CB 4.14Å; C34-R84 PolarHBondContact SG-NH1 3.06Å
35	G	96.8	Very high	88.3	Confident	50 Å²	50	64.5 Å²	64.5	52%	0.515	36%	0.357	S	S	.	.			trans	75.3	-5.8	-178.2	0	0	0	0	0	115.5	C31	C31-G35 WeakPolarHBondContact O-CA 3.18Å; C31-G35 PolarHBondContact O-N 2.95Å
36	D	96.2	Very high	90.7	Very high	32 Å²	32	57.2 Å²	57.2	17%	0.171	33%	0.33	C	S	.	.	S	Bend	trans	-63	163.8	173.6	-162.1	9.2	0	0	0	111.7	C31 C34 S38 C48 R81 R84	C31-D36 WeakPolarHBondContact CB-O 3.32Å; C31-D36 PolarHBondContact N-O 2.94Å; C34-D36 PolarHBondContact O-N 2.85Å; C34-D36 WeakPolarHBondContact SG-CB 3.32Å; D36-S38 PolarHBondContact O-N 3.04Å; D36-C48 HydrophobicContact CB-CB 4.19Å; D36-R81 HydrophobicContact CB-CB 4.22Å; D36-R81 HydrophobicContact CB-CG 4.09Å; D36-R81 WeakPolarHBondContact OD1-CD 3.1Å; D36-R81 IonicContact OD1-NE 3.83Å; D36-R81 PolarHBondContact OD1-NE 3.38Å; D36-R84 IonicContact OD2-CZ 2.74Å; D36-R84 IonicContact OD2-NH1 2.84Å; D36-R84 PolarHBondContact OD2-NH1 3.1Å; D36-R84 IonicContact OD2-NH2 3.56Å; D36-R84 PolarHBondContact OD2-NH2 2.7Å
37	R	94	Very high	92.7	Very high	157 Å²	157	54.9 Å²	54.9	59%	0.592	32%	0.317	S	S	*	.	B	Isolated β-bridge	trans	-59.9	123.4	-179.1	-178.2	174.8	171.5	145.1	-5.7	110.9	L27 C48	L27-R37 VanDerWaalsContact CD2-NH2 3.26Å; R37-C48 WeakPolarHBondContact O-CB 3.48Å
38	S	94.7	Very high	94.6	Very high	10 Å²	10	50.7 Å²	50.7	7%	0.07	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-71.5	143.2	175.7	-176.7	0	0	0	0	111	I29 D36 G40 S47	I29-S38 WeakPolarHBondContact O-CB 3.46Å; I29-S38 PolarHBondContact O-N 3.43Å; D36-S38 PolarHBondContact O-N 3.04Å; S38-G40 PolarHBondContact OG-N 2.96Å; S38-G40 VanDerWaalsContact OG-N 3.1Å; S38-G40 PolarHBondContact OG-O 2.89Å; S38-S47 VanDerWaalsContact CA-O 3.3Å; S38-S47 WeakPolarHBondContact CA-O 3.43Å; S38-S47 PolarHBondContact OG-N 3.02Å; S38-S47 VanDerWaalsContact OG-N 3.1Å; S38-S47 PolarHBondContact OG-O 3Å
39	T	91.4	Very high	95.6	Very high	78 Å²	78	48.4 Å²	48.4	48%	0.479	28%	0.284	S	S	.	.			trans	-95.7	1.4	170.1	51.2	0	0	0	0	112.2	H42 S47 D49	T39-H42 PolarHBondContact OG1-NE2 3.28Å; T39-S47 PolarHBondContact N-O 2.97Å; T39-D49 WeakPolarHBondContact CB-OD1 3.3Å; T39-D49 VanDerWaalsContact CG2-OD1 3.31Å; T39-D49 WeakPolarHBondContact CG2-OD1 3.31Å; T39-D49 PolarHBondContact OG1-OD1 3.22Å
40	G	91.8	Very high	96	Very high	25 Å²	25	47.3 Å²	47.3	26%	0.258	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	134.5	-171.4	-176.4	0	0	0	0	0	112.6	S38 H42 Y46 S47	S38-G40 PolarHBondContact OG-N 2.96Å; S38-G40 VanDerWaalsContact OG-N 3.1Å; S38-G40 PolarHBondContact OG-O 2.89Å; G40-H42 PolarHBondContact O-CD2 3.42Å; G40-Y46 WeakPolarHBondContact O-CA 3.29Å; G40-S47 PolarHBondContact O-N 3.4Å
41	K	94.7	Very high	96.1	Very high	135 Å²	135	43.6 Å²	43.6	59%	0.587	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	124.5	172	-67.8	-171.9	-178.1	-178.8	0	109.5	V45 Y46	K41-V45 WeakPolarHBondContact CA-O 3.3Å; K41-Y46 HydrophobicContact CD-CE2 4.37Å; K41-Y46 VanDerWaalsContact CE-CE2 3.49Å; K41-Y46 WeakPolarHBondContact CE-OH 3.28Å; K41-Y46 HydrophobicContact CG-CD1 3.89Å; K41-Y46 HydrophobicContact CG-CD2 4.28Å; K41-Y46 HydrophobicContact CG-CE1 3.57Å; K41-Y46 HydrophobicContact CG-CE2 4.02Å; K41-Y46 HydrophobicContact CG-CG 4.22Å
42	H	96.9	Very high	96.1	Very high	53 Å²	53	44 Å²	44	25%	0.245	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	130.6	169.7	-55.5	-91.4	0	0	0	108.1	T39 G40 G44 V45 S47 S52	T39-H42 PolarHBondContact OG1-NE2 3.28Å; G40-H42 PolarHBondContact O-CD2 3.42Å; H42-G44 PolarHBondContact O-N 2.91Å; H42-V45 PolarHBondContact N-O 2.92Å; H42-V45 PolarHBondContact O-N 2.98Å; H42-V45 VanDerWaalsContact O-O 3.04Å; H42-S47 WeakPolarHBondContact CB-OG 3.45Å; H42-S47 PolarHBondContact CD2-OG 3.47Å; H42-S52 WeakPolarHBondContact CB-OG 3.3Å; H42-S52 PolarHBondContact ND1-OG 3.21Å
43	Y	97.1	Very high	96.2	Very high	39 Å²	39	42.7 Å²	42.7	15%	0.153	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	40.5	-178.4	-47.2	-66.2	0	0	0	112.6	V45 S52 F55 K56 M100 N101 V105	Y43-V45 PolarHBondContact O-N 3.38Å; Y43-S52 WeakPolarHBondContact CE2-O 3.48Å; Y43-F55 HydrophobicContact CD1-CD1 4.28Å; Y43-F55 HydrophobicContact CD1-CE1 4.39Å; Y43-F55 HydrophobicContact CD2-CB 4.41Å; Y43-F55 AromaticContact CD2-CD1 3.57Å; Y43-F55 HydrophobicContact CD2-CD1 3.57Å; Y43-F55 HydrophobicContact CD2-CE1 4.31Å; Y43-F55 HydrophobicContact CD2-CG 4.38Å; Y43-F55 HydrophobicContact CE2-CD1 4.09Å; Y43-F55 AromaticContact CG-CD1 3.68Å; Y43-F55 HydrophobicContact CG-CD1 3.68Å; Y43-F55 AromaticContact CG-CE1 3.95Å; Y43-F55 HydrophobicContact CG-CE1 3.95Å; Y43-K56 HydrophobicContact CE2-CB 4.38Å; Y43-K56 VanDerWaalsContact OH-CB 3.31Å; Y43-K56 WeakPolarHBondContact OH-CB 3.16Å; Y43-K56 WeakPolarHBondContact OH-CD 3.42Å; Y43-K56 WeakPolarHBondContact OH-CG 3.42Å; Y43-M100 CarbonylContact O-C 3.26Å; Y43-M100 VanDerWaalsContact O-CA 3.31Å; Y43-M100 WeakPolarHBondContact O-CA 3.29Å; Y43-N101 PolarHBondContact O-N 3.44Å; Y43-V105 HydrophobicContact CD1-CG2 3.69Å; Y43-V105 HydrophobicContact CE1-CB 4.28Å; Y43-V105 HydrophobicContact CE1-CG2 3.52Å; Y43-V105 HydrophobicContact CG-CG2 4.49Å
44	G	95.4	Very high	96.2	Very high	60 Å²	60	43.2 Å²	43.2	62%	0.619	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-13.7	178.7	0	0	0	0	0	116	H42	H42-G44 PolarHBondContact O-N 2.91Å
45	V	96	Very high	96.2	Very high	23 Å²	23	43 Å²	43	14%	0.139	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.6	-170.6	-171.5	0	0	0	0	111.7	K41 H42 Y43 S47 A98 Q99 M100	K41-V45 WeakPolarHBondContact CA-O 3.3Å; H42-V45 PolarHBondContact N-O 2.92Å; H42-V45 PolarHBondContact O-N 2.98Å; H42-V45 VanDerWaalsContact O-O 3.04Å; Y43-V45 PolarHBondContact O-N 3.38Å; V45-S47 PolarHBondContact O-N 3.36Å; V45-S47 VanDerWaalsContact O-N 3.12Å; V45-A98 HydrophobicContact CG1-CB 4.29Å; V45-A98 WeakPolarHBondContact CG2-O 3.37Å; V45-Q99 HydrophobicContact CG2-CB 4.48Å; V45-Q99 WeakPolarHBondContact CG2-O 3.4Å; V45-M100 HydrophobicContact CB-CG 4.17Å; V45-M100 HydrophobicContact CG2-CG 3.96Å
46	Y	96.4	Very high	96.2	Very high	66 Å²	66	45.6 Å²	45.6	26%	0.259	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	114.3	169.3	-71.7	-75.2	0	0	0	111	L26 I29 C31 G32 G40 K41	L26-Y46 HydrophobicContact CD2-CD1 4.37Å; L26-Y46 HydrophobicContact CD2-CE1 3.27Å; L26-Y46 HydrophobicContact CD2-CE2 4.48Å; L26-Y46 WeakPolarHBondContact CD2-OH 3.39Å; I29-Y46 HydrophobicContact CB-CD1 4.39Å; I29-Y46 HydrophobicContact CB-CG 4.42Å; I29-Y46 HydrophobicContact CD1-CD1 4.27Å; I29-Y46 HydrophobicContact CD1-CD2 4.28Å; I29-Y46 HydrophobicContact CD1-CE1 4.01Å; I29-Y46 HydrophobicContact CD1-CE2 4Å; I29-Y46 HydrophobicContact CD1-CG 4.41Å; I29-Y46 HydrophobicContact CG2-CD1 4.1Å; I29-Y46 HydrophobicContact CG2-CD2 3.96Å; I29-Y46 HydrophobicContact CG2-CG 3.64Å; C31-Y46 WeakPolarHBondContact CA-O 3.11Å; G32-Y46 PolarHBondContact N-O 3.49Å; G40-Y46 WeakPolarHBondContact O-CA 3.29Å; K41-Y46 HydrophobicContact CD-CE2 4.37Å; K41-Y46 VanDerWaalsContact CE-CE2 3.49Å; K41-Y46 WeakPolarHBondContact CE-OH 3.28Å; K41-Y46 HydrophobicContact CG-CD1 3.89Å; K41-Y46 HydrophobicContact CG-CD2 4.28Å; K41-Y46 HydrophobicContact CG-CE1 3.57Å; K41-Y46 HydrophobicContact CG-CE2 4.02Å; K41-Y46 HydrophobicContact CG-CG 4.22Å
47	S	96.8	Very high	96.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	162.1	-178.9	63.8	0	0	0	0	112.9	S38 T39 G40 H42 V45	S38-S47 VanDerWaalsContact CA-O 3.3Å; S38-S47 WeakPolarHBondContact CA-O 3.43Å; S38-S47 PolarHBondContact OG-N 3.02Å; S38-S47 VanDerWaalsContact OG-N 3.1Å; S38-S47 PolarHBondContact OG-O 3Å; T39-S47 PolarHBondContact N-O 2.97Å; G40-S47 PolarHBondContact O-N 3.4Å; H42-S47 WeakPolarHBondContact CB-OG 3.45Å; H42-S47 PolarHBondContact CD2-OG 3.47Å; V45-S47 PolarHBondContact O-N 3.36Å; V45-S47 VanDerWaalsContact O-N 3.12Å
48	C	97.8	Very high	96.4	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.027	24%	0.238	C	C	.	.			trans	-86.8	160.8	172	62.5	0	0	0	0	110.1	C31 D36 R37 G50 C51 S52 R84	C31-C48 HydrophobicContact CB-CB 4.18Å; D36-C48 HydrophobicContact CB-CB 4.19Å; R37-C48 WeakPolarHBondContact O-CB 3.48Å; C48-G50 PolarHBondContact O-N 3.35Å; C48-G50 VanDerWaalsContact O-N 3.09Å; C48-C51 PolarHBondContact O-N 3.21Å; C48-C51 PolarHBondContact SG-N 2.86Å; C48-S52 PolarHBondContact O-N 2.95Å; C48-R84 PolarHBondContact SG-NH1 3.47Å
49	D	96.3	Very high	96.4	Very high	103 Å²	103	45.1 Å²	45.1	55%	0.551	24%	0.244	S	C	*	.	H	α-helix	trans	-54.3	-34	177.8	-67.5	-12.4	0	0	0	112.8	T39 C51 G53	T39-D49 WeakPolarHBondContact CB-OD1 3.3Å; T39-D49 VanDerWaalsContact CG2-OD1 3.31Å; T39-D49 WeakPolarHBondContact CG2-OD1 3.31Å; T39-D49 PolarHBondContact OG1-OD1 3.22Å; D49-C51 PolarHBondContact O-N 3.4Å; D49-G53 PolarHBondContact O-N 3.14Å
50	G	97.7	Very high	96.4	Very high	25 Å²	25	44.6 Å²	44.6	26%	0.258	24%	0.236	S	C	.	.	H	α-helix	trans	-62.6	-42.6	177.4	0	0	0	0	0	113.3	C48 F54 R91	C48-G50 PolarHBondContact O-N 3.35Å; C48-G50 VanDerWaalsContact O-N 3.09Å; G50-F54 VanDerWaalsContact O-CB 3.25Å; G50-F54 WeakPolarHBondContact O-CB 3.44Å; G50-F54 PolarHBondContact O-N 2.75Å; G50-R91 PolarHBondContact O-NH2 3.07Å
51	C	98.6	Very high	96.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-81.8	-37.2	178.9	-71.2	0	0	0	0	112.2	V33 C48 D49 F54 F55 R91 M100	V33-C51 HydrophobicContact CB-CB 4.25Å; V33-C51 HydrophobicContact CG2-CB 4.42Å; C48-C51 PolarHBondContact O-N 3.21Å; C48-C51 PolarHBondContact SG-N 2.86Å; D49-C51 PolarHBondContact O-N 3.4Å; C51-F54 PolarHBondContact O-N 2.91Å; C51-F55 WeakPolarHBondContact O-CB 3.48Å; C51-F55 PolarHBondContact O-N 3.47Å; C51-R91 PolarHBondContact SG-NH2 2.91Å; C51-R91 VanDerWaalsContact SG-NH2 3.42Å; C51-M100 HydrophobicContact CB-CE 4.41Å
52	S	97.5	Very high	96.3	Very high	13 Å²	13	49.9 Å²	49.9	9%	0.091	26%	0.259	C	S	.	.	H	α-helix	trans	-57.5	-53.8	172.6	174.7	0	0	0	0	110.9	H42 Y43 C48 F54 F55 K56	H42-S52 WeakPolarHBondContact CB-OG 3.3Å; H42-S52 PolarHBondContact ND1-OG 3.21Å; Y43-S52 WeakPolarHBondContact CE2-O 3.48Å; C48-S52 PolarHBondContact O-N 2.95Å; S52-F54 VanDerWaalsContact C-N 3.31Å; S52-F54 PolarHBondContact O-N 3.31Å; S52-F55 PolarHBondContact O-N 3.32Å; S52-K56 PolarHBondContact O-N 2.86Å
53	G	97.5	Very high	96.2	Very high	18 Å²	18	53.4 Å²	53.4	19%	0.186	27%	0.27	C	S	.	.	H	α-helix	trans	-65.3	-31.9	177.6	0	0	0	0	0	113.7	D49 R57	D49-G53 PolarHBondContact O-N 3.14Å; G53-R57 WeakPolarHBondContact O-CG 3.35Å; G53-R57 PolarHBondContact O-N 3.43Å; G53-R57 PolarHBondContact O-NE 3.08Å; G53-R57 PolarHBondContact O-NH1 2.97Å
54	F	98.4	Very high	96	Very high	12 Å²	12	57.1 Å²	57.1	5%	0.053	30%	0.302	C	S	.	.	H	α-helix	trans	-65.2	-51.7	173.9	171.7	-100.1	0	0	0	111.3	G50 C51 S52 K56 R57 S58 Y65 R88 R91 L92	G50-F54 VanDerWaalsContact O-CB 3.25Å; G50-F54 WeakPolarHBondContact O-CB 3.44Å; G50-F54 PolarHBondContact O-N 2.75Å; C51-F54 PolarHBondContact O-N 2.91Å; S52-F54 VanDerWaalsContact C-N 3.31Å; S52-F54 PolarHBondContact O-N 3.31Å; F54-K56 PolarHBondContact O-N 3.39Å; F54-R57 PolarHBondContact O-N 2.77Å; F54-S58 PolarHBondContact O-N 3.15Å; F54-S58 PolarHBondContact O-OG 3.28Å; F54-S58 VanDerWaalsContact O-OG 3.08Å; F54-Y65 HydrophobicContact CE2-CE2 4.08Å; F54-Y65 HydrophobicContact CZ-CD2 4.44Å; F54-Y65 AromaticContact CZ-CE2 3.86Å; F54-Y65 HydrophobicContact CZ-CE2 3.86Å; F54-R88 HydrophobicContact CE2-CB 4.21Å; F54-R88 HydrophobicContact CE2-CG 4.26Å; F54-R88 HydrophobicContact CZ-CB 4.3Å; F54-R88 WeakPolarHBondContact CZ-O 3.4Å; F54-R91 HydrophobicContact CD1-CG 3.91Å; F54-R91 HydrophobicContact CE1-CB 3.91Å; F54-R91 HydrophobicContact CE1-CG 3.67Å; F54-R91 HydrophobicContact CZ-CB 4.03Å; F54-R91 HydrophobicContact CZ-CG 4.18Å; F54-L92 HydrophobicContact CE1-CB 3.86Å; F54-L92 HydrophobicContact CE1-CD1 4.23Å; F54-L92 HydrophobicContact CZ-CB 3.97Å
55	F	98.2	Very high	96.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57.5	-49.9	178.5	-172.1	-103.3	0	0	0	111.1	Y43 C51 S52 R57 S58 I59 L92 C95 F96 M100 E102 V105	Y43-F55 HydrophobicContact CD1-CD1 4.28Å; Y43-F55 HydrophobicContact CD1-CE1 4.39Å; Y43-F55 HydrophobicContact CD2-CB 4.41Å; Y43-F55 AromaticContact CD2-CD1 3.57Å; Y43-F55 HydrophobicContact CD2-CD1 3.57Å; Y43-F55 HydrophobicContact CD2-CE1 4.31Å; Y43-F55 HydrophobicContact CD2-CG 4.38Å; Y43-F55 HydrophobicContact CE2-CD1 4.09Å; Y43-F55 AromaticContact CG-CD1 3.68Å; Y43-F55 HydrophobicContact CG-CD1 3.68Å; Y43-F55 AromaticContact CG-CE1 3.95Å; Y43-F55 HydrophobicContact CG-CE1 3.95Å; C51-F55 WeakPolarHBondContact O-CB 3.48Å; C51-F55 PolarHBondContact O-N 3.47Å; S52-F55 PolarHBondContact O-N 3.32Å; F55-R57 PolarHBondContact O-N 3.37Å; F55-S58 PolarHBondContact O-N 3.44Å; F55-I59 HydrophobicContact CD1-CG1 4.08Å; F55-I59 HydrophobicContact CD2-CG1 4.25Å; F55-I59 HydrophobicContact CE1-CG1 3.77Å; F55-I59 HydrophobicContact CE2-CD1 3.96Å; F55-I59 HydrophobicContact CE2-CG1 3.95Å; F55-I59 HydrophobicContact CG-CG1 4.32Å; F55-I59 HydrophobicContact CZ-CD1 3.97Å; F55-I59 HydrophobicContact CZ-CG1 3.71Å; F55-I59 WeakPolarHBondContact O-CG1 3.23Å; F55-I59 PolarHBondContact O-N 2.96Å; F55-L92 HydrophobicContact CD2-CD1 4.16Å; F55-C95 HydrophobicContact CD2-CB 3.58Å; F55-C95 HydrophobicContact CE2-CB 4.07Å; F55-F96 HydrophobicContact CE2-CD1 4.13Å; F55-F96 AromaticContact CE2-CE1 3.86Å; F55-F96 HydrophobicContact CE2-CE1 3.86Å; F55-F96 HydrophobicContact CE2-CZ 4.27Å; F55-F96 HydrophobicContact CZ-CE1 4.16Å; F55-M100 HydrophobicContact CB-SD 3.88Å; F55-M100 HydrophobicContact CD1-CB 4.19Å; F55-M100 HydrophobicContact CD1-SD 4.38Å; F55-M100 HydrophobicContact CD2-CB 3.95Å; F55-M100 HydrophobicContact CD2-SD 3.91Å; F55-M100 HydrophobicContact CE1-CB 3.88Å; F55-M100 HydrophobicContact CE2-CB 3.62Å; F55-M100 HydrophobicContact CG-CB 4.21Å; F55-M100 HydrophobicContact CG-SD 3.8Å; F55-M100 HydrophobicContact CZ-CB 3.58Å; F55-M100 WeakPolarHBondContact CZ-O 3.35Å; F55-E102 HydrophobicContact CZ-CB 4.05Å; F55-V105 HydrophobicContact CD1-CG2 4.04Å; F55-V105 HydrophobicContact CE1-CG2 3.85Å
56	K	96.9	Very high	96.1	Very high	104 Å²	104	62 Å²	62	45%	0.452	31%	0.313	S	S	.	.	H	α-helix	trans	-49.3	-54.3	175.1	-168.7	179.7	179.9	174.4	0	112.1	Y43 S52 F54 S58 H60 V105	Y43-K56 HydrophobicContact CE2-CB 4.38Å; Y43-K56 VanDerWaalsContact OH-CB 3.31Å; Y43-K56 WeakPolarHBondContact OH-CB 3.16Å; Y43-K56 WeakPolarHBondContact OH-CD 3.42Å; Y43-K56 WeakPolarHBondContact OH-CG 3.42Å; S52-K56 PolarHBondContact O-N 2.86Å; F54-K56 PolarHBondContact O-N 3.39Å; K56-S58 VanDerWaalsContact C-N 3.29Å; K56-S58 PolarHBondContact O-N 3.26Å; K56-H60 WeakPolarHBondContact O-CB 3.29Å; K56-H60 PolarHBondContact O-N 3.45Å; K56-V105 HydrophobicContact CG-CG1 4.24Å
57	R	96.6	Very high	96.2	Very high	149 Å²	149	59.8 Å²	59.8	56%	0.562	31%	0.307	S	S	*	.	H	α-helix	trans	-66.6	-29.9	-177.6	-72.3	-174.5	-60.5	-91.4	-0.6	113.2	G53 F54 F55 K61	G53-R57 WeakPolarHBondContact O-CG 3.35Å; G53-R57 PolarHBondContact O-N 3.43Å; G53-R57 PolarHBondContact O-NE 3.08Å; G53-R57 PolarHBondContact O-NH1 2.97Å; F54-R57 PolarHBondContact O-N 2.77Å; F55-R57 PolarHBondContact O-N 3.37Å; R57-K61 PolarHBondContact O-N 3.42Å
58	S	97.2	Very high	96.1	Very high	2 Å²	2	69.5 Å²	69.5	1%	0.014	35%	0.349	C	S	.	.	H	α-helix	trans	-74.4	-47.3	179.4	-65	0	0	0	0	111.6	F54 F55 K56 N62 R63 Y65	F54-S58 PolarHBondContact O-N 3.15Å; F54-S58 PolarHBondContact O-OG 3.28Å; F54-S58 VanDerWaalsContact O-OG 3.08Å; F55-S58 PolarHBondContact O-N 3.44Å; K56-S58 VanDerWaalsContact C-N 3.29Å; K56-S58 PolarHBondContact O-N 3.26Å; S58-N62 PolarHBondContact O-N 3.34Å; S58-R63 PolarHBondContact O-N 2.99Å; S58-Y65 WeakPolarHBondContact OG-CE2 3.04Å; S58-Y65 PolarHBondContact OG-OH 2.91Å; S58-Y65 VanDerWaalsContact OG-OH 3.12Å
59	I	96	Very high	95.8	Very high	39 Å²	39	70.6 Å²	70.6	20%	0.2	36%	0.359	C	S	.	.	H	α-helix	trans	-67.5	-49.4	177.5	-58.4	-51	0	0	0	110.7	F55 K61 N62 F96 E102 V105	F55-I59 HydrophobicContact CD1-CG1 4.08Å; F55-I59 HydrophobicContact CD2-CG1 4.25Å; F55-I59 HydrophobicContact CE1-CG1 3.77Å; F55-I59 HydrophobicContact CE2-CD1 3.96Å; F55-I59 HydrophobicContact CE2-CG1 3.95Å; F55-I59 HydrophobicContact CG-CG1 4.32Å; F55-I59 HydrophobicContact CZ-CD1 3.97Å; F55-I59 HydrophobicContact CZ-CG1 3.71Å; F55-I59 WeakPolarHBondContact O-CG1 3.23Å; F55-I59 PolarHBondContact O-N 2.96Å; I59-K61 PolarHBondContact O-N 2.73Å; I59-K61 VanDerWaalsContact O-N 3.13Å; I59-N62 WeakPolarHBondContact O-CA 3.48Å; I59-N62 PolarHBondContact O-N 2.77Å; I59-F96 HydrophobicContact CD1-CE1 4.09Å; I59-F96 HydrophobicContact CD1-CZ 3.64Å; I59-E102 HydrophobicContact CD1-CB 3.91Å; I59-E102 HydrophobicContact CG1-CB 4.06Å; I59-E102 HydrophobicContact CG2-CB 4Å; I59-V105 HydrophobicContact CB-CB 4.41Å; I59-V105 HydrophobicContact CB-CG1 4.35Å; I59-V105 HydrophobicContact CB-CG2 4.06Å; I59-V105 HydrophobicContact CG1-CG2 4.23Å; I59-V105 HydrophobicContact CG2-CB 4.02Å; I59-V105 HydrophobicContact CG2-CG1 4.25Å; I59-V105 HydrophobicContact CG2-CG2 4.04Å
60	H	90.8	Very high	95.6	Very high	66 Å²	66	70.8 Å²	70.8	31%	0.306	37%	0.368	S	S	.	.	H	α-helix	trans	-57.2	-33.7	-177.1	-171.4	103.8	0	0	0	113.9	K56 E108	K56-H60 WeakPolarHBondContact O-CB 3.29Å; K56-H60 PolarHBondContact O-N 3.45Å; H60-E108 IonicContact CD2-OE1 3.54Å; H60-E108 VanDerWaalsContact CE1-CG 3.47Å; H60-E108 WeakPolarHBondContact CE1-CG 3.43Å; H60-E108 IonicContact CE1-OE1 3Å; H60-E108 VanDerWaalsContact NE2-CG 3.31Å; H60-E108 WeakPolarHBondContact NE2-CG 3.22Å; H60-E108 IonicContact NE2-OE1 3.75Å; H60-E108 PolarHBondContact NE2-OE1 3.37Å
61	K	91.5	Very high	95.3	Very high	127 Å²	127	72.6 Å²	72.6	55%	0.552	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	13.2	177.7	-64.1	-172.4	178.2	-169.9	0	113	R57 I59 R63	R57-K61 PolarHBondContact O-N 3.42Å; I59-K61 PolarHBondContact O-N 2.73Å; I59-K61 VanDerWaalsContact O-N 3.13Å; K61-R63 VanDerWaalsContact C-N 3.29Å; K61-R63 HydrophobicContact CB-CG 3.82Å; K61-R63 PolarHBondContact O-N 2.9Å
62	N	92.4	Very high	94.8	Very high	144 Å²	144	79.9 Å²	79.9	77%	0.77	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.1	54.8	-175.2	-162.9	15.3	0	0	0	113	S58 I59 S64	S58-N62 PolarHBondContact O-N 3.34Å; I59-N62 WeakPolarHBondContact O-CA 3.48Å; I59-N62 PolarHBondContact O-N 2.77Å; N62-S64 PolarHBondContact O-N 3.01Å
63	R	94.6	Very high	94.3	Very high	127 Å²	127	85 Å²	85	48%	0.479	45%	0.452	S	S	.	.			trans	-82.5	116.1	-170.3	-66.4	-64.2	-164.1	174.3	-0	111.8	S58 K61 Y65	S58-R63 PolarHBondContact O-N 2.99Å; K61-R63 VanDerWaalsContact C-N 3.29Å; K61-R63 HydrophobicContact CB-CG 3.82Å; K61-R63 PolarHBondContact O-N 2.9Å; R63-Y65 HydrophobicContact CB-CE1 3.99Å; R63-Y65 HydrophobicContact CB-CE2 4Å
64	S	94.3	Very high	94.1	Very high	117 Å²	117	90.8 Å²	90.8	82%	0.818	47%	0.471	S	S	*	.			trans	-88	124.2	164.9	-56.2	0	0	0	0	110.7	N62	N62-S64 PolarHBondContact O-N 3.01Å
65	Y	96.7	Very high	93.9	Very high	66 Å²	66	92.1 Å²	92.1	26%	0.259	49%	0.488	S	S	.	.			trans	-114.7	141.8	177.6	-59	-60.9	0	0	0	111.3	F54 S58 R63 R88 A89 L92	F54-Y65 HydrophobicContact CE2-CE2 4.08Å; F54-Y65 HydrophobicContact CZ-CD2 4.44Å; F54-Y65 AromaticContact CZ-CE2 3.86Å; F54-Y65 HydrophobicContact CZ-CE2 3.86Å; S58-Y65 WeakPolarHBondContact OG-CE2 3.04Å; S58-Y65 PolarHBondContact OG-OH 2.91Å; S58-Y65 VanDerWaalsContact OG-OH 3.12Å; R63-Y65 HydrophobicContact CB-CE1 3.99Å; R63-Y65 HydrophobicContact CB-CE2 4Å; Y65-R88 HydrophobicContact CD1-CB 3.91Å; Y65-R88 HydrophobicContact CD2-CB 3.88Å; Y65-R88 HydrophobicContact CE1-CB 4.17Å; Y65-R88 HydrophobicContact CE2-CB 4.13Å; Y65-R88 HydrophobicContact CG-CB 3.77Å; Y65-A89 WeakPolarHBondContact O-CB 3.41Å; Y65-L92 HydrophobicContact CD2-CB 4.14Å; Y65-L92 HydrophobicContact CD2-CD2 3.81Å; Y65-L92 HydrophobicContact CE2-CB 4.44Å; Y65-L92 HydrophobicContact CE2-CD2 3.98Å
66	T	95.9	Very high	93.6	Very high	121 Å²	121	99.4 Å²	99.4	74%	0.742	52%	0.52	S	S	*	.			trans	-104.3	133.2	174.3	-49.2	0	0	0	0	110.7
67	C	97.5	Very high	93.6	Very high	18 Å²	18	96.5 Å²	96.5	12%	0.122	51%	0.512	C	S	.	.			trans	-72.4	128.7	173.9	-177.8	0	0	0	0	110.2	G75 A89 C90	C67-G75 PolarHBondContact SG-N 3.14Å; C67-G75 VanDerWaalsContact SG-N 3.45Å; C67-A89 HydrophobicContact CB-CB 4Å; C67-C90 VanDerWaalsContact SG-SG 3.69Å
68	K	94.9	Very high	93.5	Very high	204 Å²	204	94.4 Å²	94.4	89%	0.887	52%	0.516	S	S	*	.			trans	-85.2	-5.1	-179.3	-64.6	-173.6	177.4	-173.4	0	114.3
69	A	93.2	Very high	93.5	Very high	28 Å²	28	94.9 Å²	94.9	23%	0.231	52%	0.518	C	S	.	.			trans	-71.7	142.7	177.9	0	0	0	0	0	111	L73 K74	A69-L73 HydrophobicContact CB-CB 4.17Å; A69-K74 WeakPolarHBondContact O-CB 3.01Å
70	S	90.7	Very high	93.5	Very high	107 Å²	107	95.7 Å²	95.7	75%	0.748	52%	0.523	S	S	*	.			trans	-101.6	158.9	179.6	-61.8	0	0	0	0	111.8
71	G	91.5	Very high	93.8	Very high	63 Å²	63	99.6 Å²	99.6	65%	0.649	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	59.9	-141.5	176.5	0	0	0	0	0	113.6	L73 K74	G71-L73 PolarHBondContact O-N 3.43Å; G71-L73 VanDerWaalsContact O-N 3.08Å; G71-K74 WeakPolarHBondContact O-CB 3.46Å; G71-K74 PolarHBondContact O-N 3.13Å; G71-K74 VanDerWaalsContact O-N 3.12Å
72	N	88.2	Confident	94	Very high	152 Å²	152	100 Å²	100	81%	0.813	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-64.4	-14.3	-174	-67.2	-24.1	0	0	0	114.8
73	L	87.9	Confident	94	Very high	122 Å²	122	97.3 Å²	97.3	64%	0.639	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-88.5	-7.6	179	-65	174	0	0	0	113.2	A69 G71 G75 K76	A69-L73 HydrophobicContact CB-CB 4.17Å; G71-L73 PolarHBondContact O-N 3.43Å; G71-L73 VanDerWaalsContact O-N 3.08Å; L73-G75 PolarHBondContact O-N 3.19Å; L73-K76 PolarHBondContact O-N 3.1Å
74	K	92.6	Very high	94.1	Very high	139 Å²	139	93.2 Å²	93.2	60%	0.604	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	122.8	-179.9	-169.1	172.7	-177.6	180	0	110.5	A69 G71 K76	A69-K74 WeakPolarHBondContact O-CB 3.01Å; G71-K74 WeakPolarHBondContact O-CB 3.46Å; G71-K74 PolarHBondContact O-N 3.13Å; G71-K74 VanDerWaalsContact O-N 3.12Å; K74-K76 VanDerWaalsContact C-N 3.29Å; K74-K76 PolarHBondContact O-N 3.13Å
75	G	93.4	Very high	94.2	Very high	39 Å²	39	93 Å²	93	40%	0.402	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	1.6	-178	0	0	0	0	0	115.6	C67 L73	C67-G75 PolarHBondContact SG-N 3.14Å; C67-G75 VanDerWaalsContact SG-N 3.45Å; L73-G75 PolarHBondContact O-N 3.19Å
76	K	93.6	Very high	94.1	Very high	154 Å²	154	97 Å²	97	67%	0.67	52%	0.516	S	S	*	.			trans	-117.3	25.3	-175.1	-58.7	-177.8	-174.6	172.1	0	113.4	L73 K74 T78	L73-K76 PolarHBondContact O-N 3.1Å; K74-K76 VanDerWaalsContact C-N 3.29Å; K74-K76 PolarHBondContact O-N 3.13Å; K76-T78 PolarHBondContact O-N 3.05Å
77	C	96	Very high	94.2	Very high	42 Å²	42	91.8 Å²	91.8	28%	0.284	49%	0.485	S	S	.	.			trans	-63.9	137.7	178.7	-55.6	0	0	0	0	110.9	C87 C90	C77-C87 HydrophobicContact CB-CB 3.7Å; C77-C87 VanDerWaalsContact SG-SG 3.69Å; C77-C90 HydrophobicContact CB-CB 3.82Å; C77-C90 VanDerWaalsContact SG-SG 3.68Å
78	T	95	Very high	94.2	Very high	106 Å²	106	98.4 Å²	98.4	65%	0.65	51%	0.507	S	S	*	.			trans	-66.5	136.2	175.5	51.2	0	0	0	0	110.7	K76	K76-T78 PolarHBondContact O-N 3.05Å
79	I	97.5	Very high	94.4	Very high	12 Å²	12	89.5 Å²	89.5	6%	0.062	47%	0.471	C	S	.	.			trans	-124.3	100.4	179.3	-54.9	-63.6	0	0	0	108	V33 C34 R84 C90 R91 K94	V33-I79 HydrophobicContact CG1-CG2 4.21Å; C34-I79 HydrophobicContact CB-CG2 4.16Å; I79-R84 HydrophobicContact CG2-CB 4.02Å; I79-C90 HydrophobicContact CD1-CB 4.11Å; I79-C90 HydrophobicContact CG1-CB 4.44Å; I79-R91 HydrophobicContact CD1-CB 3.94Å; I79-R91 HydrophobicContact CG2-CG 4.28Å; I79-K94 HydrophobicContact CB-CD 3.61Å; I79-K94 HydrophobicContact CG1-CD 3.95Å; I79-K94 HydrophobicContact CG2-CD 4Å; I79-K94 PolarHBondContact O-NZ 3.44Å
80	D	96.2	Very high	94.6	Very high	55 Å²	55	88.5 Å²	88.5	29%	0.294	46%	0.463	S	S	.	.			trans	-126	-179.2	176.4	66.1	39.5	0	0	0	110.8	C34 H82 H83 R84	C34-D80 CarbonylContact O-C 3.56Å; C34-D80 VanDerWaalsContact O-C 3.26Å; C34-D80 VanDerWaalsContact O-CA 3.3Å; C34-D80 WeakPolarHBondContact O-CA 3Å; D80-H82 VanDerWaalsContact C-N 3.28Å; D80-H82 PolarHBondContact O-N 2.85Å; D80-H82 PolarHBondContact OD1-N 3.28Å; D80-H83 VanDerWaalsContact CG-ND1 3.31Å; D80-H83 WeakPolarHBondContact OD1-CB 3.35Å; D80-H83 IonicContact OD1-CG 3.07Å; D80-H83 PolarHBondContact OD1-N 3.21Å; D80-H83 IonicContact OD1-ND1 3.57Å; D80-H83 PolarHBondContact OD1-ND1 3.23Å; D80-H83 IonicContact OD2-CE1 3.79Å; D80-H83 IonicContact OD2-CG 3.62Å; D80-H83 IonicContact OD2-ND1 2.66Å; D80-H83 PolarHBondContact OD2-ND1 3.25Å; D80-R84 WeakPolarHBondContact O-CB 3.22Å; D80-R84 PolarHBondContact O-N 3.13Å
81	R	95.3	Very high	95	Very high	148 Å²	148	83.9 Å²	83.9	56%	0.558	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-40.5	-179.2	178	180	179	-156.4	-2.5	113.3	C34 D36	C34-R81 PolarHBondContact O-N 3.34Å; D36-R81 HydrophobicContact CB-CB 4.22Å; D36-R81 HydrophobicContact CB-CG 4.09Å; D36-R81 WeakPolarHBondContact OD1-CD 3.1Å; D36-R81 IonicContact OD1-NE 3.83Å; D36-R81 PolarHBondContact OD1-NE 3.38Å
82	H	95.6	Very high	95.3	Very high	136 Å²	136	81.8 Å²	81.8	63%	0.63	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-36.3	-172.2	-61	-75.5	0	0	0	111.9	D80	D80-H82 VanDerWaalsContact C-N 3.28Å; D80-H82 PolarHBondContact O-N 2.85Å; D80-H82 PolarHBondContact OD1-N 3.28Å
83	H	93.4	Very high	95.8	Very high	87 Å²	87	78.5 Å²	78.5	40%	0.403	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	0	-170.1	-51.5	100.1	0	0	0	114.2	D80 N85 H86	D80-H83 VanDerWaalsContact CG-ND1 3.31Å; D80-H83 WeakPolarHBondContact OD1-CB 3.35Å; D80-H83 IonicContact OD1-CG 3.07Å; D80-H83 PolarHBondContact OD1-N 3.21Å; D80-H83 IonicContact OD1-ND1 3.57Å; D80-H83 PolarHBondContact OD1-ND1 3.23Å; D80-H83 IonicContact OD2-CE1 3.79Å; D80-H83 IonicContact OD2-CG 3.62Å; D80-H83 IonicContact OD2-ND1 2.66Å; D80-H83 PolarHBondContact OD2-ND1 3.25Å; H83-N85 PolarHBondContact O-N 3.06Å; H83-H86 WeakPolarHBondContact CA-ND1 3.49Å; H83-H86 WeakPolarHBondContact CB-ND1 3.49Å; H83-H86 AromaticContact CD2-CE1 3.48Å; H83-H86 PolarHBondContact CD2-CE1 3.12Å; H83-H86 VanDerWaalsContact CD2-CE1 3.48Å; H83-H86 AromaticContact CD2-ND1 3.91Å; H83-H86 PolarHBondContact O-N 2.86Å; H83-H86 PolarHBondContact O-ND1 2.93Å
84	R	96.6	Very high	96.2	Very high	41 Å²	41	76.1 Å²	76.1	16%	0.155	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-21.6	178.2	60.4	-171	-172.2	-162.6	-6.1	115.2	C34 D36 C48 I79 D80 R91	C34-R84 HydrophobicContact CB-CB 4.14Å; C34-R84 PolarHBondContact SG-NH1 3.06Å; D36-R84 IonicContact OD2-CZ 2.74Å; D36-R84 IonicContact OD2-NH1 2.84Å; D36-R84 PolarHBondContact OD2-NH1 3.1Å; D36-R84 IonicContact OD2-NH2 3.56Å; D36-R84 PolarHBondContact OD2-NH2 2.7Å; C48-R84 PolarHBondContact SG-NH1 3.47Å; I79-R84 HydrophobicContact CG2-CB 4.02Å; D80-R84 WeakPolarHBondContact O-CB 3.22Å; D80-R84 PolarHBondContact O-N 3.13Å; R84-R91 VanDerWaalsContact O-CD 3.3Å; R84-R91 WeakPolarHBondContact O-CD 3.3Å
85	N	96.8	Very high	96.5	Very high	114 Å²	114	69.5 Å²	69.5	61%	0.61	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-9.8	-179.1	-67.2	-26.6	0	0	0	114.4	H83 R91	H83-N85 PolarHBondContact O-N 3.06Å; N85-R91 PolarHBondContact OD1-NH1 3.37Å
86	H	95.3	Very high	96.7	Very high	148 Å²	148	71.6 Å²	71.6	69%	0.685	34%	0.339	S	S	*	.	S	Bend	trans	-70.8	-40.3	-175.1	-69.1	83.5	0	0	0	113.3	H83	H83-H86 WeakPolarHBondContact CA-ND1 3.49Å; H83-H86 WeakPolarHBondContact CB-ND1 3.49Å; H83-H86 AromaticContact CD2-CE1 3.48Å; H83-H86 PolarHBondContact CD2-CE1 3.12Å; H83-H86 VanDerWaalsContact CD2-CE1 3.48Å; H83-H86 AromaticContact CD2-ND1 3.91Å; H83-H86 PolarHBondContact O-N 2.86Å; H83-H86 PolarHBondContact O-ND1 2.93Å
87	C	97.7	Very high	96.9	Very high	12 Å²	12	70.4 Å²	70.4	8%	0.081	34%	0.34	C	S	.	.			trans	-129.9	98.4	-179.2	-172.5	0	0	0	0	111.4	C77 A89 C90 R91	C77-C87 HydrophobicContact CB-CB 3.7Å; C77-C87 VanDerWaalsContact SG-SG 3.69Å; C87-A89 VanDerWaalsContact C-N 3.27Å; C87-A89 PolarHBondContact O-N 3.48Å; C87-C90 HydrophobicContact CB-CB 4.13Å; C87-C90 PolarHBondContact O-N 3Å; C87-C90 PolarHBondContact SG-N 2.89Å; C87-C90 PolarHBondContact SG-SG 3.21Å; C87-R91 WeakPolarHBondContact O-CB 3.39Å; C87-R91 PolarHBondContact O-N 3.47Å
88	R	97.8	Very high	97	Very high	157 Å²	157	69.5 Å²	69.5	59%	0.592	34%	0.335	S	S	*	.	H	α-helix	trans	-61.6	-35.2	178.4	-62.7	-179.5	-174.8	172.8	0.4	112.5	F54 Y65 R91 L92	F54-R88 HydrophobicContact CE2-CB 4.21Å; F54-R88 HydrophobicContact CE2-CG 4.26Å; F54-R88 HydrophobicContact CZ-CB 4.3Å; F54-R88 WeakPolarHBondContact CZ-O 3.4Å; Y65-R88 HydrophobicContact CD1-CB 3.91Å; Y65-R88 HydrophobicContact CD2-CB 3.88Å; Y65-R88 HydrophobicContact CE1-CB 4.17Å; Y65-R88 HydrophobicContact CE2-CB 4.13Å; Y65-R88 HydrophobicContact CG-CB 3.77Å; R88-R91 PolarHBondContact O-N 3.26Å; R88-L92 WeakPolarHBondContact O-CB 3.31Å; R88-L92 PolarHBondContact O-N 2.84Å
89	A	98	Very high	97.1	Very high	17 Å²	17	72.3 Å²	72.3	14%	0.14	34%	0.341	C	S	.	.	H	α-helix	trans	-62.8	-51.9	177.4	0	0	0	0	0	112.1	Y65 C67 C87 R91 L92 N93	Y65-A89 WeakPolarHBondContact O-CB 3.41Å; C67-A89 HydrophobicContact CB-CB 4Å; C87-A89 VanDerWaalsContact C-N 3.27Å; C87-A89 PolarHBondContact O-N 3.48Å; A89-R91 VanDerWaalsContact C-N 3.31Å; A89-R91 PolarHBondContact O-N 3.08Å; A89-L92 PolarHBondContact O-N 3.5Å; A89-N93 WeakPolarHBondContact O-CB 3.25Å; A89-N93 PolarHBondContact O-N 3.09Å
90	C	98.1	Very high	97.1	Very high	8 Å²	8	72.1 Å²	72.1	5%	0.054	34%	0.34	C	S	.	.	H	α-helix	trans	-67.4	-33.2	177.8	-64	0	0	0	0	111.8	C67 C77 I79 C87 K94	C67-C90 VanDerWaalsContact SG-SG 3.69Å; C77-C90 HydrophobicContact CB-CB 3.82Å; C77-C90 VanDerWaalsContact SG-SG 3.68Å; I79-C90 HydrophobicContact CD1-CB 4.11Å; I79-C90 HydrophobicContact CG1-CB 4.44Å; C87-C90 HydrophobicContact CB-CB 4.13Å; C87-C90 PolarHBondContact O-N 3Å; C87-C90 PolarHBondContact SG-N 2.89Å; C87-C90 PolarHBondContact SG-SG 3.21Å; C90-K94 VanDerWaalsContact O-CB 3.32Å; C90-K94 WeakPolarHBondContact O-CB 3.49Å; C90-K94 PolarHBondContact O-N 3.3Å
91	R	98.4	Very high	97.1	Very high	9 Å²	9	72.4 Å²	72.4	3%	0.034	34%	0.341	C	S	.	.	H	α-helix	trans	-63.9	-47	174.6	-167.9	-171.1	-172.2	163	-4.7	112.2	V33 G50 C51 F54 I79 R84 N85 C87 R88 A89 K94 C95	V33-R91 HydrophobicContact CG1-CG 4.49Å; G50-R91 PolarHBondContact O-NH2 3.07Å; C51-R91 PolarHBondContact SG-NH2 2.91Å; C51-R91 VanDerWaalsContact SG-NH2 3.42Å; F54-R91 HydrophobicContact CD1-CG 3.91Å; F54-R91 HydrophobicContact CE1-CB 3.91Å; F54-R91 HydrophobicContact CE1-CG 3.67Å; F54-R91 HydrophobicContact CZ-CB 4.03Å; F54-R91 HydrophobicContact CZ-CG 4.18Å; I79-R91 HydrophobicContact CD1-CB 3.94Å; I79-R91 HydrophobicContact CG2-CG 4.28Å; R84-R91 VanDerWaalsContact O-CD 3.3Å; R84-R91 WeakPolarHBondContact O-CD 3.3Å; N85-R91 PolarHBondContact OD1-NH1 3.37Å; C87-R91 WeakPolarHBondContact O-CB 3.39Å; C87-R91 PolarHBondContact O-N 3.47Å; R88-R91 PolarHBondContact O-N 3.26Å; A89-R91 VanDerWaalsContact C-N 3.31Å; A89-R91 PolarHBondContact O-N 3.08Å; R91-K94 PolarHBondContact O-N 3.01Å; R91-C95 PolarHBondContact O-N 2.99Å; R91-C95 PolarHBondContact O-SG 3.12Å
92	L	98.3	Very high	97.1	Very high	19 Å²	19	70.2 Å²	70.2	10%	0.099	34%	0.337	C	S	.	.	H	α-helix	trans	-65.8	-43	178.7	-176.4	60.9	0	0	0	111	F54 F55 Y65 R88 A89 K94 C95 F96	F54-L92 HydrophobicContact CE1-CB 3.86Å; F54-L92 HydrophobicContact CE1-CD1 4.23Å; F54-L92 HydrophobicContact CZ-CB 3.97Å; F55-L92 HydrophobicContact CD2-CD1 4.16Å; Y65-L92 HydrophobicContact CD2-CB 4.14Å; Y65-L92 HydrophobicContact CD2-CD2 3.81Å; Y65-L92 HydrophobicContact CE2-CB 4.44Å; Y65-L92 HydrophobicContact CE2-CD2 3.98Å; R88-L92 WeakPolarHBondContact O-CB 3.31Å; R88-L92 PolarHBondContact O-N 2.84Å; A89-L92 PolarHBondContact O-N 3.5Å; L92-K94 VanDerWaalsContact C-N 3.26Å; L92-K94 PolarHBondContact O-N 3.2Å; L92-C95 VanDerWaalsContact O-CB 3.3Å; L92-C95 WeakPolarHBondContact O-CB 3.19Å; L92-C95 PolarHBondContact O-N 3.48Å; L92-C95 VanDerWaalsContact O-N 3.08Å; L92-F96 HydrophobicContact CD1-CD2 4.4Å; L92-F96 HydrophobicContact CD1-CE2 3.87Å; L92-F96 HydrophobicContact CD1-CZ 4.39Å; L92-F96 HydrophobicContact CD2-CE2 4.23Å; L92-F96 HydrophobicContact CG-CD2 4.16Å; L92-F96 HydrophobicContact CG-CE2 3.71Å; L92-F96 VanDerWaalsContact O-CD2 3.31Å; L92-F96 WeakPolarHBondContact O-CD2 3.42Å; L92-F96 PolarHBondContact O-N 2.94Å; L92-F96 VanDerWaalsContact O-N 3.14Å
93	N	97.6	Very high	96.9	Very high	83 Å²	83	71.7 Å²	71.7	44%	0.444	35%	0.345	S	S	.	.	H	α-helix	trans	-57.9	-42	173.4	-163.9	17.1	0	0	0	111.3	A89 C95 F96 L97	A89-N93 WeakPolarHBondContact O-CB 3.25Å; A89-N93 PolarHBondContact O-N 3.09Å; N93-C95 VanDerWaalsContact C-N 3.34Å; N93-C95 PolarHBondContact O-N 3.11Å; N93-F96 PolarHBondContact O-N 2.88Å; N93-L97 VanDerWaalsContact O-CG 3.32Å; N93-L97 WeakPolarHBondContact O-CG 2.99Å; N93-L97 PolarHBondContact O-N 3.44Å
94	K	98	Very high	96.9	Very high	73 Å²	73	70.5 Å²	70.5	32%	0.317	35%	0.346	S	S	.	.	H	α-helix	trans	-67.9	-29.2	176.4	-160.7	173.3	-176.7	-168.5	0	113.7	V33 I79 C90 R91 L92 A98	V33-K94 HydrophobicContact CG1-CB 4.29Å; V33-K94 HydrophobicContact CG1-CG 4.34Å; V33-K94 WeakPolarHBondContact O-CD 3.34Å; V33-K94 WeakPolarHBondContact O-CE 3.35Å; V33-K94 PolarHBondContact O-NZ 3.48Å; I79-K94 HydrophobicContact CB-CD 3.61Å; I79-K94 HydrophobicContact CG1-CD 3.95Å; I79-K94 HydrophobicContact CG2-CD 4Å; I79-K94 PolarHBondContact O-NZ 3.44Å; C90-K94 VanDerWaalsContact O-CB 3.32Å; C90-K94 WeakPolarHBondContact O-CB 3.49Å; C90-K94 PolarHBondContact O-N 3.3Å; R91-K94 PolarHBondContact O-N 3.01Å; L92-K94 VanDerWaalsContact C-N 3.26Å; L92-K94 PolarHBondContact O-N 3.2Å; K94-A98 VanDerWaalsContact O-CB 3.28Å; K94-A98 WeakPolarHBondContact O-CB 3.16Å; K94-A98 PolarHBondContact O-N 3.2Å
95	C	98.4	Very high	96.6	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.9	-46	169.5	-72.2	0	0	0	0	111.4	F55 R91 L92 N93 A98 Q99 M100	F55-C95 HydrophobicContact CD2-CB 3.58Å; F55-C95 HydrophobicContact CE2-CB 4.07Å; R91-C95 PolarHBondContact O-N 2.99Å; R91-C95 PolarHBondContact O-SG 3.12Å; L92-C95 VanDerWaalsContact O-CB 3.3Å; L92-C95 WeakPolarHBondContact O-CB 3.19Å; L92-C95 PolarHBondContact O-N 3.48Å; L92-C95 VanDerWaalsContact O-N 3.08Å; N93-C95 VanDerWaalsContact C-N 3.34Å; N93-C95 PolarHBondContact O-N 3.11Å; C95-A98 PolarHBondContact O-N 3.47Å; C95-Q99 PolarHBondContact O-N 3.35Å; C95-M100 HydrophobicContact CB-CB 4.46Å; C95-M100 HydrophobicContact CB-CG 4.35Å; C95-M100 HydrophobicContact CB-SD 3.6Å; C95-M100 WeakPolarHBondContact O-CB 3.33Å; C95-M100 WeakPolarHBondContact O-CG 3.46Å; C95-M100 PolarHBondContact O-N 3.46Å; C95-M100 VanDerWaalsContact SG-SD 3.63Å
96	F	97.7	Very high	96.1	Very high	83 Å²	83	70.3 Å²	70.3	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-67.1	-41.5	176.1	-69.5	-60.8	0	0	0	112.5	F55 I59 L92 N93 A98 Q99 E102	F55-F96 HydrophobicContact CE2-CD1 4.13Å; F55-F96 AromaticContact CE2-CE1 3.86Å; F55-F96 HydrophobicContact CE2-CE1 3.86Å; F55-F96 HydrophobicContact CE2-CZ 4.27Å; F55-F96 HydrophobicContact CZ-CE1 4.16Å; I59-F96 HydrophobicContact CD1-CE1 4.09Å; I59-F96 HydrophobicContact CD1-CZ 3.64Å; L92-F96 HydrophobicContact CD1-CD2 4.4Å; L92-F96 HydrophobicContact CD1-CE2 3.87Å; L92-F96 HydrophobicContact CD1-CZ 4.39Å; L92-F96 HydrophobicContact CD2-CE2 4.23Å; L92-F96 HydrophobicContact CG-CD2 4.16Å; L92-F96 HydrophobicContact CG-CE2 3.71Å; L92-F96 VanDerWaalsContact O-CD2 3.31Å; L92-F96 WeakPolarHBondContact O-CD2 3.42Å; L92-F96 PolarHBondContact O-N 2.94Å; L92-F96 VanDerWaalsContact O-N 3.14Å; N93-F96 PolarHBondContact O-N 2.88Å; F96-A98 PolarHBondContact O-N 3.09Å; F96-Q99 WeakPolarHBondContact O-CA 3.21Å; F96-Q99 PolarHBondContact O-N 3.4Å; F96-E102 HydrophobicContact CE1-CB 4.46Å
97	L	97.5	Very high	95.2	Very high	129 Å²	129	71.7 Å²	71.7	68%	0.675	35%	0.35	S	S	*	.	H	α-helix	trans	-61.2	-32.6	174.1	-70.2	172.1	0	0	0	112.5	N93 Q99	N93-L97 VanDerWaalsContact O-CG 3.32Å; N93-L97 WeakPolarHBondContact O-CG 2.99Å; N93-L97 PolarHBondContact O-N 3.44Å; L97-Q99 PolarHBondContact O-N 3.07Å
98	A	97.2	Very high	93.8	Very high	23 Å²	23	78.2 Å²	78.2	19%	0.19	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-1.2	173.1	0	0	0	0	0	113.3	V33 V45 K94 C95 F96	V33-A98 HydrophobicContact CG2-CB 4.04Å; V45-A98 HydrophobicContact CG1-CB 4.29Å; V45-A98 WeakPolarHBondContact CG2-O 3.37Å; K94-A98 VanDerWaalsContact O-CB 3.28Å; K94-A98 WeakPolarHBondContact O-CB 3.16Å; K94-A98 PolarHBondContact O-N 3.2Å; C95-A98 PolarHBondContact O-N 3.47Å; F96-A98 PolarHBondContact O-N 3.09Å
99	Q	97.5	Very high	92.4	Very high	165 Å²	165	80.7 Å²	80.7	77%	0.771	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	36.5	-178.8	-55.2	178.8	-25.4	0	0	114.8	V45 C95 F96 L97 N101	V45-Q99 HydrophobicContact CG2-CB 4.48Å; V45-Q99 WeakPolarHBondContact CG2-O 3.4Å; C95-Q99 PolarHBondContact O-N 3.35Å; F96-Q99 WeakPolarHBondContact O-CA 3.21Å; F96-Q99 PolarHBondContact O-N 3.4Å; L97-Q99 PolarHBondContact O-N 3.07Å; Q99-N101 PolarHBondContact O-N 2.86Å
100	M	97.9	Very high	90.9	Very high	7 Å²	7	82.5 Å²	82.5	3%	0.034	41%	0.409	C	S	.	.			trans	-66.3	124.6	169.1	-71.3	-175.4	165.2	0	0	110.5	V33 Y43 V45 C51 F55 C95 E102	V33-M100 HydrophobicContact CG2-CE 3.57Å; V33-M100 HydrophobicContact CG2-SD 4.17Å; Y43-M100 CarbonylContact O-C 3.26Å; Y43-M100 VanDerWaalsContact O-CA 3.31Å; Y43-M100 WeakPolarHBondContact O-CA 3.29Å; V45-M100 HydrophobicContact CB-CG 4.17Å; V45-M100 HydrophobicContact CG2-CG 3.96Å; C51-M100 HydrophobicContact CB-CE 4.41Å; F55-M100 HydrophobicContact CB-SD 3.88Å; F55-M100 HydrophobicContact CD1-CB 4.19Å; F55-M100 HydrophobicContact CD1-SD 4.38Å; F55-M100 HydrophobicContact CD2-CB 3.95Å; F55-M100 HydrophobicContact CD2-SD 3.91Å; F55-M100 HydrophobicContact CE1-CB 3.88Å; F55-M100 HydrophobicContact CE2-CB 3.62Å; F55-M100 HydrophobicContact CG-CB 4.21Å; F55-M100 HydrophobicContact CG-SD 3.8Å; F55-M100 HydrophobicContact CZ-CB 3.58Å; F55-M100 WeakPolarHBondContact CZ-O 3.35Å; C95-M100 HydrophobicContact CB-CB 4.46Å; C95-M100 HydrophobicContact CB-CG 4.35Å; C95-M100 HydrophobicContact CB-SD 3.6Å; C95-M100 WeakPolarHBondContact O-CB 3.33Å; C95-M100 WeakPolarHBondContact O-CG 3.46Å; C95-M100 PolarHBondContact O-N 3.46Å; C95-M100 VanDerWaalsContact SG-SD 3.63Å; M100-E102 PolarHBondContact O-N 3.39Å
101	N	95.7	Very high	89.2	Confident	61 Å²	61	88.3 Å²	88.3	33%	0.326	45%	0.447	S	S	.	.			trans	-82.3	112.8	-178.1	-174.3	1.7	0	0	0	111.4	Y43 Q99 E103 S104	Y43-N101 PolarHBondContact O-N 3.44Å; Q99-N101 PolarHBondContact O-N 2.86Å; N101-E103 VanDerWaalsContact C-N 3.33Å; N101-E103 VanDerWaalsContact OD1-CB 3.31Å; N101-E103 WeakPolarHBondContact OD1-CB 3.34Å; N101-E103 PolarHBondContact OD1-N 3.42Å; N101-S104 PolarHBondContact ND2-OG 3.32Å; N101-S104 WeakPolarHBondContact O-CB 3.49Å; N101-S104 PolarHBondContact O-N 2.99Å
102	E	95.2	Very high	87.4	Confident	102 Å²	102	98.8 Å²	98.8	48%	0.477	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-67.8	-30.5	176.5	63.2	-177.2	-174.8	0	0	113.3	F55 I59 F96 M100 S104 V105	F55-E102 HydrophobicContact CZ-CB 4.05Å; I59-E102 HydrophobicContact CD1-CB 3.91Å; I59-E102 HydrophobicContact CG1-CB 4.06Å; I59-E102 HydrophobicContact CG2-CB 4Å; F96-E102 HydrophobicContact CE1-CB 4.46Å; M100-E102 PolarHBondContact O-N 3.39Å; E102-S104 PolarHBondContact O-N 2.96Å; E102-V105 VanDerWaalsContact O-CB 3.29Å; E102-V105 WeakPolarHBondContact O-CB 3.48Å; E102-V105 WeakPolarHBondContact O-CG2 3.42Å; E102-V105 PolarHBondContact O-N 3.37Å
103	E	93	Very high	85.3	Confident	168 Å²	168	107.1 Å²	107.1	79%	0.785	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-66.7	-23	177.9	-55.6	178.3	163.8	0	0	112	N101 V105	N101-E103 VanDerWaalsContact C-N 3.33Å; N101-E103 VanDerWaalsContact OD1-CB 3.31Å; N101-E103 WeakPolarHBondContact OD1-CB 3.34Å; N101-E103 PolarHBondContact OD1-N 3.42Å; E103-V105 PolarHBondContact O-N 3.19Å
104	S	91.7	Very high	82.7	Confident	62 Å²	62	108.1 Å²	108.1	43%	0.434	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-75.7	-5	175	-60.7	0	0	0	0	113.2	N101 E102 Q106	N101-S104 PolarHBondContact ND2-OG 3.32Å; N101-S104 WeakPolarHBondContact O-CB 3.49Å; N101-S104 PolarHBondContact O-N 2.99Å; E102-S104 PolarHBondContact O-N 2.96Å; S104-Q106 PolarHBondContact O-N 3.29Å
105	V	91.7	Very high	79.9	Confident	9 Å²	9	111.5 Å²	111.5	6%	0.055	55%	0.554	C	S	.	*	S	Bend	trans	-83.5	108.5	176.7	-178.3	0	0	0	0	109	Y43 F55 K56 I59 E102 E103 H107	Y43-V105 HydrophobicContact CD1-CG2 3.69Å; Y43-V105 HydrophobicContact CE1-CB 4.28Å; Y43-V105 HydrophobicContact CE1-CG2 3.52Å; Y43-V105 HydrophobicContact CG-CG2 4.49Å; F55-V105 HydrophobicContact CD1-CG2 4.04Å; F55-V105 HydrophobicContact CE1-CG2 3.85Å; K56-V105 HydrophobicContact CG-CG1 4.24Å; I59-V105 HydrophobicContact CB-CB 4.41Å; I59-V105 HydrophobicContact CB-CG1 4.35Å; I59-V105 HydrophobicContact CB-CG2 4.06Å; I59-V105 HydrophobicContact CG1-CG2 4.23Å; I59-V105 HydrophobicContact CG2-CB 4.02Å; I59-V105 HydrophobicContact CG2-CG1 4.25Å; I59-V105 HydrophobicContact CG2-CG2 4.04Å; E102-V105 VanDerWaalsContact O-CB 3.29Å; E102-V105 WeakPolarHBondContact O-CB 3.48Å; E102-V105 WeakPolarHBondContact O-CG2 3.42Å; E102-V105 PolarHBondContact O-N 3.37Å; E103-V105 PolarHBondContact O-N 3.19Å; V105-H107 PolarHBondContact O-N 2.76Å
106	Q	86.2	Confident	76.9	Confident	141 Å²	141	117.2 Å²	117.2	66%	0.659	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-59.7	132	176.7	-67.1	179.5	-11.5	0	0	111.4	S104	S104-Q106 PolarHBondContact O-N 3.29Å
107	H	76.3	Confident	74	Confident	178 Å²	178	119.5 Å²	119.5	82%	0.824	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-59.9	161.9	172.7	-67.3	87.1	0	0	0	111.8	V105 R109	V105-H107 PolarHBondContact O-N 2.76Å; H107-R109 PolarHBondContact O-N 3.04Å
108	E	68.5	Low	70.9	Confident	149 Å²	149	120.9 Å²	120.9	70%	0.696	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-50.3	128.8	178.2	-49.4	-135.9	129.7	0	0	110.4	H60 G110	H60-E108 IonicContact CD2-OE1 3.54Å; H60-E108 VanDerWaalsContact CE1-CG 3.47Å; H60-E108 WeakPolarHBondContact CE1-CG 3.43Å; H60-E108 IonicContact CE1-OE1 3Å; H60-E108 VanDerWaalsContact NE2-CG 3.31Å; H60-E108 WeakPolarHBondContact NE2-CG 3.22Å; H60-E108 IonicContact NE2-OE1 3.75Å; H60-E108 PolarHBondContact NE2-OE1 3.37Å; E108-G110 PolarHBondContact O-N 3.5Å
109	R	67.8	Low	67.7	Low	208 Å²	208	128.2 Å²	128.2	79%	0.785	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-65.8	124.3	161.1	-68.4	-178.7	-178	163.3	-0.6	105.8	H107	H107-R109 PolarHBondContact O-N 3.04Å
110	G	66.3	Low	64.5	Low	55 Å²	55	127.7 Å²	127.7	57%	0.567	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-52.5	162.2	175.1	0	0	0	0	0	111.7	E108 R112	E108-G110 PolarHBondContact O-N 3.5Å; G110-R112 PolarHBondContact O-N 3.42Å
111	P	63.1	Low	61.2	Low	131 Å²	131	132.4 Å²	132.4	85%	0.851	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-50.6	127.1	178.1	-21.3	30.2	0	0	0	109.6	K113	P111-K113 PolarHBondContact O-N 2.89Å; P111-K113 VanDerWaalsContact O-N 3.1Å
112	R	60.2	Low	58	Low	229 Å²	229	135.6 Å²	135.6	86%	0.864	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-59.4	120.4	168.7	-67.2	-174.6	-171.7	126.2	-4.3	106.3	G110	G110-R112 PolarHBondContact O-N 3.42Å
113	K	53.8	Low	54.9	Low	193 Å²	193	139.3 Å²	139.3	84%	0.839	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-53	128.5	171.6	-69.7	-174.5	178.8	-176.4	0	107.4	P111 N115	P111-K113 PolarHBondContact O-N 2.89Å; P111-K113 VanDerWaalsContact O-N 3.1Å; K113-N115 PolarHBondContact O-N 2.84Å
114	P	42.7	Very low	52.1	Low	105 Å²	105	138.5 Å²	138.5	68%	0.682	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-60.2	130.3	171.7	25.5	-31.1	0	0	0	107.7	N116	P114-N116 PolarHBondContact O-N 2.91Å
115	N	38.8	Very low	49	Very low	143 Å²	143	140.6 Å²	140.6	77%	0.765	73%	0.726	S	S	*	*			trans	-73.7	98.8	176.8	-138.4	12.3	0	0	0	107.1	K113 N117	K113-N115 PolarHBondContact O-N 2.84Å; N115-N117 PolarHBondContact O-N 3.26Å
116	N	35.9	Very low	46.1	Very low	121 Å²	121	146.1 Å²	146.1	65%	0.647	76%	0.76	S	S	*	*			trans	-76.6	52.1	-178.3	-85.8	-0.5	0	0	0	112.6	P114	P114-N116 PolarHBondContact O-N 2.91Å
117	N	36.3	Very low	43.2	Very low	130 Å²	130	146.4 Å²	146.4	70%	0.695	76%	0.764	S	S	*	*			trans	-96.8	19.8	-178.9	-77.2	10.1	0	0	0	114.8	N115	N115-N117 PolarHBondContact O-N 3.26Å
118	N	33.2	Very low	40.9	Very low	158 Å²	158	143.4 Å²	143.4	85%	0.845	76%	0.758	S	S	*	*			trans	-124.9	29.1	177.8	-78.7	4	0	0	0	114.8
119	F	29.5	Very low	39.1	Very low	177 Å²	177	142.4 Å²	142.4	78%	0.776	76%	0.763	S	S	*	*			trans	-94.3	97.7	166.2	-96.1	-92	0	0	0	109.8	P121	F119-P121 VanDerWaalsContact O-CD 3.31Å; F119-P121 WeakPolarHBondContact O-CD 3.35Å
120	I	29.9	Very low	37.2	Very low	155 Å²	155	140.5 Å²	140.5	80%	0.795	77%	0.765	S	S	*	*			trans	-83.8	108.1	157	-60.3	170.6	0	0	0	105.6	T122	I120-T122 PolarHBondContact O-N 3.38Å
121	P	28.8	Very low	35.5	Very low	106 Å²	106	144 Å²	144	69%	0.688	77%	0.771	S	S	*	*			trans	-88.1	110.6	170.1	2.1	19.5	0	0	0	107.5	F119 M123	F119-P121 VanDerWaalsContact O-CD 3.31Å; F119-P121 WeakPolarHBondContact O-CD 3.35Å; P121-M123 PolarHBondContact O-N 3.21Å
122	T	29.7	Very low	33.9	Very low	128 Å²	128	144 Å²	144	79%	0.785	77%	0.768	S	S	*	*			trans	-50.8	119.2	163.5	32.5	0	0	0	0	110.1	I120 N124	I120-T122 PolarHBondContact O-N 3.38Å; T122-N124 PolarHBondContact O-N 2.84Å
123	M	30	Very low	32.4	Very low	180 Å²	180	137.4 Å²	137.4	89%	0.887	76%	0.763	S	S	*	*			trans	-58.5	118.6	168.6	-73.2	-88.8	176.4	0	0	109.5	P121	P121-M123 PolarHBondContact O-N 3.21Å
124	N	32.6	Very low	31.3	Very low	151 Å²	151	133.1 Å²	133.1	81%	0.807	76%	0.757	S	S	*	*			trans	-138.7	105.1	154.4	-89.7	-18.9	0	0	0	108	T122	T122-N124 PolarHBondContact O-N 2.84Å
125	S	27.2	Very low	30.6	Very low	105 Å²	105	134.9 Å²	134.9	73%	0.734	76%	0.761	S	S	*	*			trans	24.3	121.8	142.1	-39.7	0	0	0	0	118.1
126	T	30.5	Very low	30.2	Very low	125 Å²	125	134 Å²	134	77%	0.767	76%	0.756	S	S	*	*				154.9	102.2	110.3	-50.1	0	0	0	0	111.6
127	I	26.6	Very low	29.9	Very low	147 Å²	147	134.2 Å²	134.2	75%	0.754	76%	0.757	S	S	*	*			trans	39.4	114	134.3	-59.4	174	0	0	0	120.3
128	V	26.5	Very low	29.5	Very low	115 Å²	115	139.1 Å²	139.1	70%	0.697	77%	0.768	S	S	*	*				48.6	121.5	127.5	-159.1	0	0	0	0	117.9
129	T	30.7	Very low	29.1	Very low	129 Å²	129	137.6 Å²	137.6	79%	0.791	77%	0.767	S	S	*	*				-171.2	122.6	81.6	39.2	0	0	0	0	108.4
130	M	29.3	Very low	29.2	Very low	168 Å²	168	137.9 Å²	137.9	83%	0.828	78%	0.775	S	S	*	*				64	130.5	81.8	-89.8	-171.7	-176.9	0	0	119.1
131	D	30.2	Very low	28.9	Very low	129 Å²	129	137.2 Å²	137.2	69%	0.69	77%	0.773	S	S	*	*			trans	92.1	100	151	-54	-16.3	0	0	0	118.8
132	T	29.3	Very low	28.7	Very low	129 Å²	129	139.4 Å²	139.4	79%	0.791	78%	0.778	S	S	*	*				86.9	124.7	64	58.3	0	0	0	0	114.4
133	A	29.1	Very low	28.5	Very low	91 Å²	91	137.7 Å²	137.7	75%	0.752	77%	0.771	S	S	*	*				166	147	111.4	0	0	0	0	0	114.8
134	S	29.5	Very low	28.2	Very low	103 Å²	103	137.1 Å²	137.1	72%	0.72	77%	0.77	S	S	*	*			trans	80	135.1	157.7	79.2	0	0	0	0	118
135	N	28.9	Very low	27.9	Very low	142 Å²	142	138.3 Å²	138.3	76%	0.759	77%	0.77	S	S	*	*			cis	-168.3	156	8.1	-110.6	-3	0	0	0	111.5
136	N	30.9	Very low	27.8	Very low	125 Å²	125	139.9 Å²	139.9	67%	0.668	77%	0.766	S	S	*	*			trans	89.4	99.7	149.7	-59.8	0.6	0	0	0	122
137	D	28.3	Very low	27.5	Very low	126 Å²	126	141 Å²	141	67%	0.674	77%	0.767	S	S	*	*				71.2	97	115	-55.6	-24.6	0	0	0	121.8
138	Y	28	Very low	27.3	Very low	233 Å²	233	139.2 Å²	139.2	91%	0.914	76%	0.759	S	S	*	*				167.3	104.6	106.7	-86.6	-71.7	0	0	0	110.9
139	P	25.9	Very low	27.3	Very low	126 Å²	126	140.1 Å²	140.1	82%	0.818	76%	0.76	S	S	*	*			trans	-127.7	145.3	158.4	35.2	-21	0	0	0	112.4
140	L	30.5	Very low	27.2	Very low	182 Å²	182	140.8 Å²	140.8	95%	0.953	75%	0.754	S	S	*	*			trans	-131.5	127.3	166.5	-112	150.8	0	0	0	110.3
141	N	24.1	Very low	27	Very low	141 Å²	141	139.8 Å²	139.8	75%	0.754	75%	0.751	S	S	*	*			trans	-127	174.5	-159.9	-163.4	-2.1	0	0	0	106.9
142	L	25.6	Very low	26.8	Very low	153 Å²	153	138.5 Å²	138.5	80%	0.801	75%	0.752	S	S	*	*			trans	129.4	129.5	157.4	-89.9	70.5	0	0	0	112.3
143	S	24.9	Very low	26.7	Very low	91 Å²	91	135 Å²	135	64%	0.636	73%	0.732	S	S	*	*			cis	-160.7	127.9	8	39	0	0	0	0	110.9
144	I	24	Very low	26.6	Very low	168 Å²	168	136.8 Å²	136.8	86%	0.862	73%	0.728	S	S	*	*			trans	-86.3	109.2	158.7	-66.1	169.5	0	0	0	105.8
145	H	26	Very low	26.5	Very low	176 Å²	176	137.5 Å²	137.5	82%	0.815	72%	0.724	S	S	*	*			trans	-88.9	108.2	161.1	-105	-69.2	0	0	0	108.6	N147	H145-N147 PolarHBondContact O-N 3.45Å
146	H	24.8	Very low	26.6	Very low	138 Å²	138	138 Å²	138	64%	0.639	72%	0.722	S	S	*	*			trans	-47.1	128	157.6	-104.3	-62.2	0	0	0	109.6	N148	H146-N148 PolarHBondContact CE1-OD1 3.07Å; H146-N148 PolarHBondContact ND1-OD1 3.34Å; H146-N148 VanDerWaalsContact ND1-OD1 3.08Å
147	N	23.4	Very low	26.4	Very low	148 Å²	148	136.5 Å²	136.5	79%	0.791	71%	0.713	S	S	*	*			trans	-127.3	99.5	143.8	-122.4	-8	0	0	0	108.8	H145 N149	H145-N147 PolarHBondContact O-N 3.45Å; N147-N149 VanDerWaalsContact C-N 3.32Å; N147-N149 PolarHBondContact O-N 2.84Å
148	N	24.3	Very low	26.4	Very low	110 Å²	110	133.1 Å²	133.1	59%	0.588	70%	0.7	S	S	*	*			trans	-65.8	88.8	169.7	-71.3	-27.9	0	0	0	108.3	H146	H146-N148 PolarHBondContact CE1-OD1 3.07Å; H146-N148 PolarHBondContact ND1-OD1 3.34Å; H146-N148 VanDerWaalsContact ND1-OD1 3.08Å
149	N	26	Very low	26.4	Very low	135 Å²	135	129.6 Å²	129.6	72%	0.722	69%	0.689	S	S	*	*			trans	-162.5	75.4	167.8	-88	-29.9	0	0	0	109.1	N147	N147-N149 VanDerWaalsContact C-N 3.32Å; N147-N149 PolarHBondContact O-N 2.84Å
150	H	27.5	Very low	26.6	Very low	143 Å²	143	131.4 Å²	131.4	66%	0.662	68%	0.684	S	S	*	*			trans	-171.4	8.3	150.7	-110.9	-70.9	0	0	0	115.1	S152 S153	H150-S152 PolarHBondContact O-N 3.2Å; H150-S153 PolarHBondContact ND1-OG 3.49Å; H150-S153 PolarHBondContact O-N 2.89Å; H150-S153 PolarHBondContact O-OG 3.13Å
151	I	25.4	Very low	26.4	Very low	147 Å²	147	130.6 Å²	130.6	75%	0.754	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-1.4	175.6	-70	172.4	0	0	0	113.3
152	S	25.7	Very low	26.6	Very low	102 Å²	102	131 Å²	131	71%	0.713	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-2.5	177.6	44.1	0	0	0	0	115.7	H150	H150-S152 PolarHBondContact O-N 3.2Å
153	S	27.7	Very low	26.8	Very low	55 Å²	55	129.4 Å²	129.4	39%	0.385	66%	0.657	S	S	.	*	S	Bend	trans	-109.7	-10.7	-175.9	55.7	0	0	0	0	115.6	H150	H150-S153 PolarHBondContact ND1-OG 3.49Å; H150-S153 PolarHBondContact O-N 2.89Å; H150-S153 PolarHBondContact O-OG 3.13Å
154	I	27.7	Very low	27	Very low	128 Å²	128	131.3 Å²	131.3	66%	0.656	65%	0.654	S	S	*	*	S	Bend	trans	-91.4	-18.1	-176.7	-64.1	172.8	0	0	0	112
155	N	27.4	Very low	27.2	Very low	119 Å²	119	128.2 Å²	128.2	64%	0.636	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-2.1	-179.6	-98.5	-21.2	0	0	0	115.5	S158	N155-S158 PolarHBondContact O-OG 3.1Å
156	Q	30.2	Very low	27.3	Very low	153 Å²	153	123.9 Å²	123.9	72%	0.715	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-27.1	171.2	-70.5	-174.4	-8	0	0	112.5
157	N	26.7	Very low	27.5	Very low	92 Å²	92	124.2 Å²	124.2	49%	0.492	62%	0.624	S	S	.	*	H	α-helix	trans	-72.5	-34.8	175.9	-75.5	-19.1	0	0	0	111.9	K159 K160 Y161	N157-K159 PolarHBondContact O-N 3Å; N157-K160 PolarHBondContact O-N 2.81Å; N157-K160 VanDerWaalsContact O-N 3.07Å; N157-Y161 HydrophobicContact CB-CD2 4.34Å; N157-Y161 HydrophobicContact CB-CE2 4.09Å; N157-Y161 WeakPolarHBondContact O-CD2 3.24Å; N157-Y161 PolarHBondContact O-N 2.95Å
158	S	27.7	Very low	27.8	Very low	56 Å²	56	122.6 Å²	122.6	39%	0.392	61%	0.614	S	S	.	*	H	α-helix	trans	-63.5	-23.8	176.4	61.2	0	0	0	0	114.4	N155 K162	N155-S158 PolarHBondContact O-OG 3.1Å; S158-K162 PolarHBondContact O-N 3.43Å
159	K	28.8	Very low	27.9	Very low	159 Å²	159	124 Å²	124	69%	0.691	62%	0.615	S	S	*	*	H	α-helix	trans	-83.2	-27.2	172.8	-75	-178	177.9	177.7	0	113.1	N157	N157-K159 PolarHBondContact O-N 3Å
160	K	29.6	Very low	27.8	Very low	163 Å²	163	124.3 Å²	124.3	71%	0.709	62%	0.616	S	S	*	*	H	α-helix	trans	-75	-33.5	173.1	-134.3	175.6	-175.8	179.4	0	111.7	N157 F164	N157-K160 PolarHBondContact O-N 2.81Å; N157-K160 VanDerWaalsContact O-N 3.07Å; K160-F164 PolarHBondContact O-N 2.88Å
161	Y	27.5	Very low	27.7	Very low	166 Å²	166	126.5 Å²	126.5	65%	0.651	63%	0.627	S	S	*	*	H	α-helix	trans	-73.2	-25.5	175	-75	-67.7	0	0	0	114.1	N157 N165	N157-Y161 HydrophobicContact CB-CD2 4.34Å; N157-Y161 HydrophobicContact CB-CE2 4.09Å; N157-Y161 WeakPolarHBondContact O-CD2 3.24Å; N157-Y161 PolarHBondContact O-N 2.95Å; Y161-N165 PolarHBondContact O-N 3.35Å
162	K	28.4	Very low	27.6	Very low	150 Å²	150	124.5 Å²	124.5	65%	0.652	63%	0.626	S	S	*	*	H	α-helix	trans	-69.9	-41.5	171.9	-93.4	-179.1	171.6	179.8	0	112.5	S158 F164 D166	S158-K162 PolarHBondContact O-N 3.43Å; K162-F164 VanDerWaalsContact C-N 3.33Å; K162-F164 PolarHBondContact O-N 3.37Å; K162-D166 PolarHBondContact O-N 2.93Å
163	N	29.7	Very low	27.6	Very low	118 Å²	118	125.1 Å²	125.1	63%	0.631	62%	0.62	S	S	*	*	H	α-helix	trans	-72.6	-22.1	-179.8	-73.5	-3	0	0	0	114.1
164	F	28.4	Very low	27.4	Very low	132 Å²	132	127.8 Å²	127.8	58%	0.579	63%	0.63	S	S	*	*	H	α-helix	trans	-83.7	-34.9	177.4	-148.8	-98	0	0	0	112.2	K160 K162 D166 Q167 I168	K160-F164 PolarHBondContact O-N 2.88Å; K162-F164 VanDerWaalsContact C-N 3.33Å; K162-F164 PolarHBondContact O-N 3.37Å; F164-D166 VanDerWaalsContact C-N 3.3Å; F164-D166 PolarHBondContact O-N 3.29Å; F164-Q167 PolarHBondContact O-N 2.81Å; F164-I168 HydrophobicContact CD1-CD1 4.13Å; F164-I168 HydrophobicContact CE1-CD1 4.21Å
165	N	28.3	Very low	27.4	Very low	103 Å²	103	130 Å²	130	55%	0.551	63%	0.631	S	S	*	*	H	α-helix	trans	-70.4	-24.8	173.8	-83	-12.5	0	0	0	113.3	Y161 Q167	Y161-N165 PolarHBondContact O-N 3.35Å; N165-Q167 VanDerWaalsContact C-N 3.33Å
166	D	28.5	Very low	27.3	Very low	84 Å²	84	127.5 Å²	127.5	45%	0.449	62%	0.623	S	S	.	*	H	α-helix	trans	-80.7	-12.1	175	-69.1	-28.8	0	0	0	113.1	K162 F164 K169	K162-D166 PolarHBondContact O-N 2.93Å; F164-D166 VanDerWaalsContact C-N 3.3Å; F164-D166 PolarHBondContact O-N 3.29Å; D166-K169 IonicContact OD1-NZ 3.37Å; D166-K169 PolarHBondContact OD1-NZ 2.9Å
167	Q	29.3	Very low	27.1	Very low	145 Å²	145	126.4 Å²	126.4	68%	0.678	62%	0.617	S	S	*	*	H	α-helix	trans	-89.2	-21.3	172.4	-75.8	-176.5	-29.2	0	0	113.8	F164 N165	F164-Q167 PolarHBondContact O-N 2.81Å; N165-Q167 VanDerWaalsContact C-N 3.33Å
168	I	28.8	Very low	27.1	Very low	115 Å²	115	127 Å²	127	59%	0.59	63%	0.626	S	S	*	*	H	α-helix	trans	-88.6	-15.6	179.1	-63	173.5	0	0	0	111.9	F164 N170	F164-I168 HydrophobicContact CD1-CD1 4.13Å; F164-I168 HydrophobicContact CE1-CD1 4.21Å; I168-N170 PolarHBondContact O-N 2.62Å; I168-N170 VanDerWaalsContact O-N 3.16Å
169	K	26.3	Very low	27.1	Very low	140 Å²	140	129.4 Å²	129.4	61%	0.609	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-7.5	177	-85	175	-176.1	161.2	0	115.7	D166	D166-K169 IonicContact OD1-NZ 3.37Å; D166-K169 PolarHBondContact OD1-NZ 2.9Å
170	N	25.1	Very low	27.1	Very low	140 Å²	140	126.4 Å²	126.4	75%	0.749	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	11.5	-170.7	-74.2	-13.3	0	0	0	115.8	I168	I168-N170 PolarHBondContact O-N 2.62Å; I168-N170 VanDerWaalsContact O-N 3.16Å
171	Q	25.3	Very low	27.1	Very low	189 Å²	189	123.1 Å²	123.1	88%	0.883	62%	0.616	S	S	*	*	S	Bend	trans	-134.4	67.4	167.2	-72.7	-177.7	-8.6	0	0	109.8	I173	Q171-I173 PolarHBondContact O-N 3.36Å
172	S	23	Very low	27.3	Very low	106 Å²	106	118.3 Å²	118.3	74%	0.741	61%	0.607	S	S	*	*			trans	-75.8	109.6	-179.1	53.3	0	0	0	0	112
173	I	24.9	Very low	27.5	Very low	115 Å²	115	115 Å²	115	59%	0.59	60%	0.596	S	S	*	*			trans	-108.4	121.6	141.5	-65.2	170.3	0	0	0	104.4	Q171 Y175	Q171-I173 PolarHBondContact O-N 3.36Å; I173-Y175 VanDerWaalsContact C-N 3.25Å; I173-Y175 HydrophobicContact CB-CD2 4.23Å; I173-Y175 HydrophobicContact CB-CE1 4.31Å; I173-Y175 HydrophobicContact CB-CE2 3.62Å; I173-Y175 HydrophobicContact CG2-CD1 4.2Å; I173-Y175 HydrophobicContact CG2-CD2 4.36Å; I173-Y175 HydrophobicContact CG2-CE1 3.78Å; I173-Y175 HydrophobicContact CG2-CE2 3.97Å; I173-Y175 HydrophobicContact CG2-CG 4.46Å; I173-Y175 WeakPolarHBondContact O-CD2 3.1Å; I173-Y175 WeakPolarHBondContact O-CE2 3.46Å; I173-Y175 PolarHBondContact O-N 2.97Å
174	D	24.9	Very low	27.7	Very low	110 Å²	110	114.2 Å²	114.2	59%	0.588	59%	0.588	S	S	*	*			trans	-75.3	77.7	-173.7	-159	-12.5	0	0	0	110.1	S176 F177	D174-S176 PolarHBondContact O-N 3.31Å; D174-S176 VanDerWaalsContact O-N 3.09Å; D174-S176 PolarHBondContact OD1-OG 3.03Å; D174-F177 PolarHBondContact O-N 2.88Å
175	Y	26.8	Very low	28	Very low	174 Å²	174	114.7 Å²	114.7	68%	0.682	59%	0.587	S	S	*	*	H	α-helix	trans	-67.2	-4.7	-178.8	-65.9	-73.8	0	0	0	113.4	I173	I173-Y175 VanDerWaalsContact C-N 3.25Å; I173-Y175 HydrophobicContact CB-CD2 4.23Å; I173-Y175 HydrophobicContact CB-CE1 4.31Å; I173-Y175 HydrophobicContact CB-CE2 3.62Å; I173-Y175 HydrophobicContact CG2-CD1 4.2Å; I173-Y175 HydrophobicContact CG2-CD2 4.36Å; I173-Y175 HydrophobicContact CG2-CE1 3.78Å; I173-Y175 HydrophobicContact CG2-CE2 3.97Å; I173-Y175 HydrophobicContact CG2-CG 4.46Å; I173-Y175 WeakPolarHBondContact O-CD2 3.1Å; I173-Y175 WeakPolarHBondContact O-CE2 3.46Å; I173-Y175 PolarHBondContact O-N 2.97Å
176	S	25.6	Very low	28.2	Very low	67 Å²	67	116 Å²	116	47%	0.469	59%	0.588	S	S	.	*	H	α-helix	trans	-79	-23.2	173.8	80.9	0	0	0	0	113	D174 N180	D174-S176 PolarHBondContact O-N 3.31Å; D174-S176 VanDerWaalsContact O-N 3.09Å; D174-S176 PolarHBondContact OD1-OG 3.03Å; S176-N180 WeakPolarHBondContact O-CB 3.41Å; S176-N180 PolarHBondContact O-N 3.44Å; S176-N180 PolarHBondContact O-ND2 3.34Å
177	F	25.5	Very low	28.4	Very low	131 Å²	131	115.5 Å²	115.5	58%	0.575	58%	0.584	S	S	*	*	H	α-helix	trans	-83.8	-46.2	-171.6	-156.6	-91.5	0	0	0	112.7	D174 L179 N180 D181	D174-F177 PolarHBondContact O-N 2.88Å; F177-L179 VanDerWaalsContact C-N 3.32Å; F177-L179 PolarHBondContact O-N 3.24Å; F177-N180 PolarHBondContact O-N 3.18Å; F177-D181 PolarHBondContact O-N 2.95Å
178	C	26	Very low	28.7	Very low	103 Å²	103	113.4 Å²	113.4	70%	0.696	58%	0.575	S	S	*	*	H	α-helix	trans	-68.3	-29	177.8	-82.1	0	0	0	0	113.7	S182	C178-S182 PolarHBondContact O-OG 3.31Å
179	L	28	Very low	29.2	Very low	108 Å²	108	110.5 Å²	110.5	57%	0.565	56%	0.559	S	S	*	*	H	α-helix	trans	-77.3	-35.5	179.2	-145.5	81.4	0	0	0	111.3	F177 S182 I183	F177-L179 VanDerWaalsContact C-N 3.32Å; F177-L179 PolarHBondContact O-N 3.24Å; L179-S182 PolarHBondContact O-OG 2.9Å; L179-I183 HydrophobicContact CD2-CD1 4.24Å; L179-I183 HydrophobicContact CG-CD1 4.05Å; L179-I183 VanDerWaalsContact O-CB 3.24Å; L179-I183 WeakPolarHBondContact O-CB 3.42Å; L179-I183 VanDerWaalsContact O-CD1 3.31Å; L179-I183 WeakPolarHBondContact O-CD1 3.47Å; L179-I183 WeakPolarHBondContact O-CG1 3.42Å; L179-I183 PolarHBondContact O-N 3.13Å; L179-I183 VanDerWaalsContact O-N 3.08Å
180	N	29.4	Very low	29.4	Very low	96 Å²	96	106.8 Å²	106.8	51%	0.513	54%	0.543	S	S	.	.	H	α-helix	trans	-69.7	-36.5	177.4	-87.1	-28.5	0	0	0	112.6	S176 F177 Q184	S176-N180 WeakPolarHBondContact O-CB 3.41Å; S176-N180 PolarHBondContact O-N 3.44Å; S176-N180 PolarHBondContact O-ND2 3.34Å; F177-N180 PolarHBondContact O-N 3.18Å; N180-Q184 WeakPolarHBondContact O-CA 3.31Å; N180-Q184 WeakPolarHBondContact O-CB 3.2Å; N180-Q184 WeakPolarHBondContact O-CG 3.34Å; N180-Q184 PolarHBondContact O-N 3.46Å
181	D	29.2	Very low	29.7	Very low	93 Å²	93	106 Å²	106	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-72.4	-37.2	-179.6	-73.9	-18.7	0	0	0	112.7	F177 Y185	F177-D181 PolarHBondContact O-N 2.95Å; D181-Y185 WeakPolarHBondContact O-CB 3.45Å; D181-Y185 PolarHBondContact O-N 3.13Å
182	S	32.6	Very low	30	Very low	66 Å²	66	102.9 Å²	102.9	46%	0.462	52%	0.517	S	S	.	.	H	α-helix	trans	-72.7	-36.9	175.8	39.5	0	0	0	0	111.6	C178 L179 F186	C178-S182 PolarHBondContact O-OG 3.31Å; L179-S182 PolarHBondContact O-OG 2.9Å; S182-F186 WeakPolarHBondContact O-CB 3.44Å; S182-F186 PolarHBondContact O-N 2.96Å
183	I	32.5	Very low	30.4	Very low	81 Å²	81	104.7 Å²	104.7	42%	0.415	51%	0.512	S	S	.	.	H	α-helix	trans	-70.6	-40.3	171.8	-67.6	169.4	0	0	0	111.7	L179 F186 I187	L179-I183 HydrophobicContact CD2-CD1 4.24Å; L179-I183 HydrophobicContact CG-CD1 4.05Å; L179-I183 VanDerWaalsContact O-CB 3.24Å; L179-I183 WeakPolarHBondContact O-CB 3.42Å; L179-I183 VanDerWaalsContact O-CD1 3.31Å; L179-I183 WeakPolarHBondContact O-CD1 3.47Å; L179-I183 WeakPolarHBondContact O-CG1 3.42Å; L179-I183 PolarHBondContact O-N 3.13Å; L179-I183 VanDerWaalsContact O-N 3.08Å; I183-F186 WeakPolarHBondContact O-CB 3.43Å; I183-F186 PolarHBondContact O-N 3.5Å; I183-I187 HydrophobicContact CG2-CD1 3.74Å; I183-I187 HydrophobicContact CG2-CG1 4.41Å; I183-I187 WeakPolarHBondContact O-CB 3.29Å; I183-I187 WeakPolarHBondContact O-CG1 2.98Å; I183-I187 PolarHBondContact O-N 3.11Å
184	Q	33	Very low	30.6	Very low	101 Å²	101	105.8 Å²	105.8	47%	0.472	51%	0.512	S	S	.	.	H	α-helix	trans	-65.2	-44.5	174.6	-95.1	-73.1	-12.5	0	0	111.5	N180 F186 I187 E188	N180-Q184 WeakPolarHBondContact O-CA 3.31Å; N180-Q184 WeakPolarHBondContact O-CB 3.2Å; N180-Q184 WeakPolarHBondContact O-CG 3.34Å; N180-Q184 PolarHBondContact O-N 3.46Å; Q184-F186 VanDerWaalsContact C-N 3.27Å; Q184-F186 PolarHBondContact O-N 3.29Å; Q184-I187 CarbonylContact O-C 3.53Å; Q184-I187 PolarHBondContact O-N 3.49Å; Q184-I187 VanDerWaalsContact O-N 3.13Å; Q184-E188 WeakPolarHBondContact O-CB 3.27Å; Q184-E188 WeakPolarHBondContact O-CG 3.31Å; Q184-E188 PolarHBondContact O-N 3.36Å
185	Y	35	Very low	30.9	Very low	142 Å²	142	106 Å²	106	56%	0.557	51%	0.514	S	S	*	.	H	α-helix	trans	-59.4	-41.8	173.2	-174	-98.3	0	0	0	110.7	D181 I187 E188 Q189	D181-Y185 WeakPolarHBondContact O-CB 3.45Å; D181-Y185 PolarHBondContact O-N 3.13Å; Y185-I187 PolarHBondContact O-N 3.11Å; Y185-E188 PolarHBondContact O-N 2.94Å; Y185-Q189 HydrophobicContact CD1-CG 4.19Å; Y185-Q189 HydrophobicContact CE1-CG 3.96Å; Y185-Q189 VanDerWaalsContact CZ-NE2 3.28Å; Y185-Q189 VanDerWaalsContact O-CG 3.26Å; Y185-Q189 WeakPolarHBondContact O-CG 3.49Å; Y185-Q189 PolarHBondContact O-N 3.14Å; Y185-Q189 PolarHBondContact OH-NE2 3.46Å
186	F	32.5	Very low	31.2	Very low	131 Å²	131	102.6 Å²	102.6	58%	0.575	51%	0.507	S	S	*	.	H	α-helix	trans	-62.2	-41.5	174.7	-137.9	-98.3	0	0	0	112.3	S182 I183 Q184 Q190	S182-F186 WeakPolarHBondContact O-CB 3.44Å; S182-F186 PolarHBondContact O-N 2.96Å; I183-F186 WeakPolarHBondContact O-CB 3.43Å; I183-F186 PolarHBondContact O-N 3.5Å; Q184-F186 VanDerWaalsContact C-N 3.27Å; Q184-F186 PolarHBondContact O-N 3.29Å; F186-Q190 WeakPolarHBondContact O-CB 3.47Å; F186-Q190 WeakPolarHBondContact O-CG 3.24Å; F186-Q190 PolarHBondContact O-N 2.95Å
187	I	33.4	Very low	31.7	Very low	72 Å²	72	102 Å²	102	37%	0.369	51%	0.505	S	S	.	.	H	α-helix	trans	-67.9	-39.9	175.7	-70.2	165.9	0	0	0	111.2	I183 Q184 Y185 Q190 F191	I183-I187 HydrophobicContact CG2-CD1 3.74Å; I183-I187 HydrophobicContact CG2-CG1 4.41Å; I183-I187 WeakPolarHBondContact O-CB 3.29Å; I183-I187 WeakPolarHBondContact O-CG1 2.98Å; I183-I187 PolarHBondContact O-N 3.11Å; Q184-I187 CarbonylContact O-C 3.53Å; Q184-I187 PolarHBondContact O-N 3.49Å; Q184-I187 VanDerWaalsContact O-N 3.13Å; Y185-I187 PolarHBondContact O-N 3.11Å; I187-Q190 CarbonylContact O-C 3.54Å; I187-Q190 WeakPolarHBondContact O-CB 3.39Å; I187-Q190 PolarHBondContact O-N 2.93Å; I187-F191 HydrophobicContact CG2-CD2 3.82Å; I187-F191 HydrophobicContact CG2-CE2 3.9Å; I187-F191 WeakPolarHBondContact O-CD2 3.35Å; I187-F191 PolarHBondContact O-N 3.23Å
188	E	35.1	Very low	31.9	Very low	101 Å²	101	100 Å²	100	47%	0.472	51%	0.506	S	S	.	.	H	α-helix	trans	-67.1	-39.1	176.7	-78.7	-169.9	158.8	0	0	112.2	Q184 Y185 Q190 F191 K192	Q184-E188 WeakPolarHBondContact O-CB 3.27Å; Q184-E188 WeakPolarHBondContact O-CG 3.31Å; Q184-E188 PolarHBondContact O-N 3.36Å; Y185-E188 PolarHBondContact O-N 2.94Å; E188-Q190 VanDerWaalsContact C-N 3.35Å; E188-F191 PolarHBondContact O-N 3.01Å; E188-K192 PolarHBondContact O-N 2.8Å
189	Q	38.2	Very low	32.1	Very low	54 Å²	54	98 Å²	98	25%	0.252	49%	0.493	S	S	.	.	H	α-helix	trans	-67.3	-38.2	172.1	-63.1	-57.6	-13.4	0	0	110.9	Y185 F191 K192 F193	Y185-Q189 HydrophobicContact CD1-CG 4.19Å; Y185-Q189 HydrophobicContact CE1-CG 3.96Å; Y185-Q189 VanDerWaalsContact CZ-NE2 3.28Å; Y185-Q189 VanDerWaalsContact O-CG 3.26Å; Y185-Q189 WeakPolarHBondContact O-CG 3.49Å; Y185-Q189 PolarHBondContact O-N 3.14Å; Y185-Q189 PolarHBondContact OH-NE2 3.46Å; Q189-F191 VanDerWaalsContact C-N 3.34Å; Q189-F191 PolarHBondContact O-N 3.42Å; Q189-K192 PolarHBondContact O-N 3.3Å; Q189-F193 WeakPolarHBondContact O-CD2 3.24Å; Q189-F193 PolarHBondContact O-N 3.45Å; Q189-F193 VanDerWaalsContact O-N 3.12Å
190	Q	32.4	Very low	32.2	Very low	62 Å²	62	98.6 Å²	98.6	29%	0.29	50%	0.496	S	S	.	.	H	α-helix	trans	-59.9	-42.5	170.9	-68	-118	-3.2	0	0	111.7	F186 I187 E188 F193 K194 R243	F186-Q190 WeakPolarHBondContact O-CB 3.47Å; F186-Q190 WeakPolarHBondContact O-CG 3.24Å; F186-Q190 PolarHBondContact O-N 2.95Å; I187-Q190 CarbonylContact O-C 3.54Å; I187-Q190 WeakPolarHBondContact O-CB 3.39Å; I187-Q190 PolarHBondContact O-N 2.93Å; E188-Q190 VanDerWaalsContact C-N 3.35Å; Q190-F193 PolarHBondContact O-N 2.79Å; Q190-K194 WeakPolarHBondContact O-CB 3.12Å; Q190-K194 PolarHBondContact O-N 3.42Å; Q190-R243 VanDerWaalsContact CD-NH1 3.35Å
191	F	29.9	Very low	32.3	Very low	123 Å²	123	100.8 Å²	100.8	54%	0.539	51%	0.507	S	S	.	.	H	α-helix	trans	-66.6	-37.1	177	-93.7	-79.1	0	0	0	112.8	I187 E188 Q189 N195	I187-F191 HydrophobicContact CG2-CD2 3.82Å; I187-F191 HydrophobicContact CG2-CE2 3.9Å; I187-F191 WeakPolarHBondContact O-CD2 3.35Å; I187-F191 PolarHBondContact O-N 3.23Å; E188-F191 PolarHBondContact O-N 3.01Å; Q189-F191 VanDerWaalsContact C-N 3.34Å; Q189-F191 PolarHBondContact O-N 3.42Å; F191-N195 WeakPolarHBondContact O-CB 3.43Å; F191-N195 PolarHBondContact O-N 2.77Å; F191-N195 VanDerWaalsContact O-N 3.13Å; F191-N195 PolarHBondContact O-ND2 2.99Å
192	K	31.7	Very low	32.3	Very low	125 Å²	125	102.6 Å²	102.6	54%	0.543	52%	0.517	S	S	.	.	H	α-helix	trans	-63.5	-40	175.1	-79.3	173.6	179.5	166.6	0	112.7	E188 Q189 L196	E188-K192 PolarHBondContact O-N 2.8Å; Q189-K192 PolarHBondContact O-N 3.3Å; K192-L196 WeakPolarHBondContact O-CD1 3.45Å
193	F	31.1	Very low	32.1	Very low	143 Å²	143	107.1 Å²	107.1	63%	0.627	53%	0.531	S	S	*	.	H	α-helix	trans	-85.1	-31.2	179	-78.2	-79.8	0	0	0	113.8	Q189 Q190 N195 L196 A197	Q189-F193 WeakPolarHBondContact O-CD2 3.24Å; Q189-F193 PolarHBondContact O-N 3.45Å; Q189-F193 VanDerWaalsContact O-N 3.12Å; Q190-F193 PolarHBondContact O-N 2.79Å; F193-N195 PolarHBondContact O-N 3.25Å; F193-L196 PolarHBondContact O-N 3.4Å; F193-L196 VanDerWaalsContact O-N 3.11Å; F193-A197 PolarHBondContact O-N 3.17Å
194	K	29.3	Very low	32.1	Very low	138 Å²	138	112.8 Å²	112.8	60%	0.6	55%	0.552	S	S	*	*	H	α-helix	trans	-70.4	-18	174.5	-160.8	176.8	-169.3	-179.6	0	112.6	Q190 P198	Q190-K194 WeakPolarHBondContact O-CB 3.12Å; Q190-K194 PolarHBondContact O-N 3.42Å; K194-P198 WeakPolarHBondContact O-CD 3.3Å; K194-P198 WeakPolarHBondContact O-CG 3.41Å
195	N	32.4	Very low	32.1	Very low	115 Å²	115	111 Å²	111	62%	0.615	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-10.2	169.8	-71.5	-18.1	0	0	0	114.1	F191 F193	F191-N195 WeakPolarHBondContact O-CB 3.43Å; F191-N195 PolarHBondContact O-N 2.77Å; F191-N195 VanDerWaalsContact O-N 3.13Å; F191-N195 PolarHBondContact O-ND2 2.99Å; F193-N195 PolarHBondContact O-N 3.25Å
196	L	31.6	Very low	31.8	Very low	103 Å²	103	107.9 Å²	107.9	54%	0.539	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-28.2	171	-101.8	88.3	0	0	0	112.9	K192 F193 S199 L200	K192-L196 WeakPolarHBondContact O-CD1 3.45Å; F193-L196 PolarHBondContact O-N 3.4Å; F193-L196 VanDerWaalsContact O-N 3.11Å; L196-S199 PolarHBondContact O-OG 3.26Å; L196-L200 WeakPolarHBondContact O-CD1 3.08Å
197	A	36.7	Very low	31.6	Very low	53 Å²	53	107.1 Å²	107.1	44%	0.438	55%	0.545	S	S	.	.	S	Bend	trans	-72.9	-32.7	-174.7	0	0	0	0	0	115.4	F193 L201	F193-A197 PolarHBondContact O-N 3.17Å; A197-L201 WeakPolarHBondContact O-CD1 3.17Å
198	P	29	Very low	31.4	Very low	89 Å²	89	112 Å²	112	58%	0.578	56%	0.564	S	S	*	*	S	Bend	trans	-82.7	-13	179.7	-14.1	30.3	0	0	0	114.8	K194	K194-P198 WeakPolarHBondContact O-CD 3.3Å; K194-P198 WeakPolarHBondContact O-CG 3.41Å
199	S	30.7	Very low	31.2	Very low	61 Å²	61	113.3 Å²	113.3	43%	0.427	57%	0.573	S	S	.	*	S	Bend	trans	-94.7	-5.6	178.9	54.2	0	0	0	0	114.1	L196 N206	L196-S199 PolarHBondContact O-OG 3.26Å; S199-N206 PolarHBondContact O-ND2 3.12Å
200	L	31.2	Very low	30.8	Very low	121 Å²	121	119.5 Å²	119.5	63%	0.634	60%	0.596	S	S	*	*	S	Bend	trans	-100	-6.4	177.9	-76.2	164.2	0	0	0	113.6	L196	L196-L200 WeakPolarHBondContact O-CD1 3.08Å
201	L	31.8	Very low	30.6	Very low	142 Å²	142	122.2 Å²	122.2	74%	0.743	61%	0.612	S	S	*	*	S	Bend	trans	-106.2	-9.4	-169.4	-98.4	150.5	0	0	0	114.6	A197	A197-L201 WeakPolarHBondContact O-CD1 3.17Å
202	N	28	Very low	30.7	Very low	131 Å²	131	122.6 Å²	122.6	70%	0.701	62%	0.62	S	S	*	*	S	Bend	trans	-135.4	136.5	176.5	-79	-31	0	0	0	110.5
203	E	28.6	Very low	30.6	Very low	162 Å²	162	125.7 Å²	125.7	76%	0.757	63%	0.629	S	S	*	*			trans	85.7	124.7	173.9	-53.1	-168.9	159.7	0	0	119	S205	E203-S205 WeakPolarHBondContact CB-OG 3.41Å; E203-S205 PolarHBondContact O-N 2.79Å; E203-S205 PolarHBondContact OE2-OG 2.83Å
204	K	33.1	Very low	30.4	Very low	199 Å²	199	126 Å²	126	87%	0.865	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	2.9	168.1	-75.7	176.1	170.5	178.2	0	114.1
205	S	31.8	Very low	30.5	Very low	64 Å²	64	125 Å²	125	45%	0.448	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.1	-23.3	-170.9	48.4	0	0	0	0	114	E203 L207	E203-S205 WeakPolarHBondContact CB-OG 3.41Å; E203-S205 PolarHBondContact O-N 2.79Å; E203-S205 PolarHBondContact OE2-OG 2.83Å; S205-L207 PolarHBondContact O-N 3.04Å
206	N	28.9	Very low	30.3	Very low	76 Å²	76	125.2 Å²	125.2	41%	0.406	64%	0.639	S	S	.	*	G	3₁₀ helix	trans	-89.5	7	-178.8	-75.1	-28.1	0	0	0	115.3	S199 K208 L209	S199-N206 PolarHBondContact O-ND2 3.12Å; N206-K208 PolarHBondContact O-N 2.87Å; N206-L209 PolarHBondContact O-N 2.97Å
207	L	29.1	Very low	30.4	Very low	116 Å²	116	127 Å²	127	61%	0.607	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-61.8	-8.2	168.8	-99.5	117.1	0	0	0	113.8	S205 N211	S205-L207 PolarHBondContact O-N 3.04Å; L207-N211 VanDerWaalsContact O-CG 3.24Å; L207-N211 PolarHBondContact O-ND2 3.34Å; L207-N211 VanDerWaalsContact O-ND2 3.13Å
208	K	29.5	Very low	30	Very low	174 Å²	174	131.4 Å²	131.4	76%	0.757	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-87.2	-18.8	175.6	-76.4	-176.7	175.7	-178.7	0	114.6	N206	N206-K208 PolarHBondContact O-N 2.87Å
209	L	31.3	Very low	30	Very low	128 Å²	128	133.2 Å²	133.2	67%	0.67	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-20.1	-177.8	-94.9	143.5	0	0	0	113.7	N206	N206-L209 PolarHBondContact O-N 2.97Å
210	Y	28.5	Very low	30.2	Very low	185 Å²	185	134.6 Å²	134.6	73%	0.725	67%	0.668	S	S	*	*	S	Bend	trans	-97.9	-6.8	176.1	-107.6	-89.4	0	0	0	114.2	N212	Y210-N212 PolarHBondContact O-N 3.24Å
211	N	29.1	Very low	30.4	Very low	118 Å²	118	132.9 Å²	132.9	63%	0.631	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-3.3	172.4	-76.7	-8.9	0	0	0	113.1	L207	L207-N211 VanDerWaalsContact O-CG 3.24Å; L207-N211 PolarHBondContact O-ND2 3.34Å; L207-N211 VanDerWaalsContact O-ND2 3.13Å
212	N	31.4	Very low	30.6	Very low	131 Å²	131	132 Å²	132	70%	0.701	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	3.3	-179.6	-71.9	-5.9	0	0	0	114	Y210	Y210-N212 PolarHBondContact O-N 3.24Å
213	Y	30	Very low	31	Very low	190 Å²	190	131.2 Å²	131.2	75%	0.745	65%	0.652	S	S	*	*	S	Bend	trans	-98.7	85.7	162.5	-80.7	-83.8	0	0	0	107.9	T215	Y213-T215 VanDerWaalsContact C-N 3.33Å; Y213-T215 PolarHBondContact O-N 3.18Å
214	E	26	Very low	31.3	Very low	149 Å²	149	127.5 Å²	127.5	70%	0.696	63%	0.634	S	S	*	*			trans	-56.3	97.7	166.7	-76.4	-175.3	172.7	0	0	108.9	N216	E214-N216 PolarHBondContact O-N 3.38Å; E214-N216 PolarHBondContact OE2-ND2 2.79Å
215	T	31.7	Very low	31.3	Very low	118 Å²	118	121.9 Å²	121.9	72%	0.724	61%	0.611	S	S	*	*			trans	-80.1	67	162.8	41.3	0	0	0	0	107.4	Y213 D217	Y213-T215 VanDerWaalsContact C-N 3.33Å; Y213-T215 PolarHBondContact O-N 3.18Å; T215-D217 PolarHBondContact O-N 2.6Å; T215-D217 VanDerWaalsContact O-N 3.14Å
216	N	28.6	Very low	31.6	Very low	119 Å²	119	122.7 Å²	122.7	64%	0.636	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	0.8	-178	-79.4	-16.9	0	0	0	113.9	E214	E214-N216 PolarHBondContact O-N 3.38Å; E214-N216 PolarHBondContact OE2-ND2 2.79Å
217	D	32.8	Very low	32	Very low	141 Å²	141	123.8 Å²	123.8	75%	0.754	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-12.3	-173.8	-69.6	-31.2	0	0	0	115.8	T215	T215-D217 PolarHBondContact O-N 2.6Å; T215-D217 VanDerWaalsContact O-N 3.14Å
218	Y	28.3	Very low	32.3	Very low	145 Å²	145	123.1 Å²	123.1	57%	0.569	61%	0.606	S	S	*	*			trans	-153.8	123.4	179.8	-81.2	-84.4	0	0	0	114.6	M220	Y218-M220 PolarHBondContact O-N 3.29Å
219	P	30.1	Very low	32.7	Very low	127 Å²	127	122 Å²	122	83%	0.825	60%	0.597	S	S	*	*			trans	-81.9	99.1	175	32.2	-29.9	0	0	0	110.5
220	M	35.7	Very low	33	Very low	90 Å²	90	124.9 Å²	124.9	44%	0.443	60%	0.599	S	S	.	*			trans	-85.5	135.8	164.5	-76.6	-71.7	115.3	0	0	110	Y218 Q224 Q225	Y218-M220 PolarHBondContact O-N 3.29Å; M220-Q224 HydrophobicContact CB-CB 4.35Å; M220-Q224 HydrophobicContact SD-CB 3.94Å; M220-Q224 VanDerWaalsContact SD-CD 3.54Å; M220-Q224 HydrophobicContact SD-CG 4.29Å; M220-Q224 PolarHBondContact SD-OE1 3.4Å; M220-Q224 VanDerWaalsContact SD-OE1 3.37Å; M220-Q225 HydrophobicContact CB-CG 4.31Å
221	N	33.8	Very low	33.4	Very low	86 Å²	86	120.4 Å²	120.4	46%	0.46	59%	0.587	S	S	.	*			trans	-74.1	158.7	177.5	90.6	31	0	0	0	111.8	N223 Q224 Q225	N221-N223 PolarHBondContact O-N 3.48Å; N221-N223 VanDerWaalsContact O-N 3.13Å; N221-N223 VanDerWaalsContact OD1-CA 3.29Å; N221-N223 WeakPolarHBondContact OD1-CA 3.32Å; N221-N223 VanDerWaalsContact OD1-CB 3.23Å; N221-N223 WeakPolarHBondContact OD1-CB 3.48Å; N221-N223 PolarHBondContact OD1-N 2.91Å; N221-Q224 WeakPolarHBondContact O-CA 3.48Å; N221-Q224 WeakPolarHBondContact O-CB 3.45Å; N221-Q224 PolarHBondContact O-N 3.42Å; N221-Q224 PolarHBondContact OD1-N 3.47Å; N221-Q225 PolarHBondContact O-N 2.84Å; N221-Q225 VanDerWaalsContact O-N 3.1Å
222	N	36.2	Very low	33.6	Very low	123 Å²	123	118.4 Å²	118.4	66%	0.658	58%	0.575	S	S	*	*	H	α-helix	trans	-55.2	-32.4	-177.9	-71.4	-16.9	0	0	0	114.4	D226	N222-D226 PolarHBondContact O-N 2.86Å; N222-D226 VanDerWaalsContact O-N 3.13Å
223	N	36.1	Very low	33.9	Very low	115 Å²	115	117.1 Å²	117.1	62%	0.615	57%	0.567	S	S	*	*	H	α-helix	trans	-71.2	-35.2	174.4	-71.1	-32.1	0	0	0	112.3	N221 D226 I227	N221-N223 PolarHBondContact O-N 3.48Å; N221-N223 VanDerWaalsContact O-N 3.13Å; N221-N223 VanDerWaalsContact OD1-CA 3.29Å; N221-N223 WeakPolarHBondContact OD1-CA 3.32Å; N221-N223 VanDerWaalsContact OD1-CB 3.23Å; N221-N223 WeakPolarHBondContact OD1-CB 3.48Å; N221-N223 PolarHBondContact OD1-N 2.91Å; N223-D226 PolarHBondContact O-N 3.4Å; N223-I227 WeakPolarHBondContact O-CD1 3.22Å; N223-I227 WeakPolarHBondContact O-CG1 3.48Å; N223-I227 PolarHBondContact O-N 3.18Å
224	Q	35	Very low	34	Very low	83 Å²	83	116.5 Å²	116.5	39%	0.388	57%	0.565	S	S	.	*	H	α-helix	trans	-67.9	-39.1	176.2	-70.3	172.3	-50.9	0	0	110.9	M220 N221 I227 Y228	M220-Q224 HydrophobicContact CB-CB 4.35Å; M220-Q224 HydrophobicContact SD-CB 3.94Å; M220-Q224 VanDerWaalsContact SD-CD 3.54Å; M220-Q224 HydrophobicContact SD-CG 4.29Å; M220-Q224 PolarHBondContact SD-OE1 3.4Å; M220-Q224 VanDerWaalsContact SD-OE1 3.37Å; N221-Q224 WeakPolarHBondContact O-CA 3.48Å; N221-Q224 WeakPolarHBondContact O-CB 3.45Å; N221-Q224 PolarHBondContact O-N 3.42Å; N221-Q224 PolarHBondContact OD1-N 3.47Å; Q224-I227 PolarHBondContact O-N 3.4Å; Q224-Y228 WeakPolarHBondContact O-CB 3.49Å; Q224-Y228 PolarHBondContact O-N 3.28Å
225	Q	33.8	Very low	34.4	Very low	81 Å²	81	112.8 Å²	112.8	38%	0.379	55%	0.549	S	S	.	.	H	α-helix	trans	-64.1	-39.5	174	-66.8	-175.5	-1	0	0	112.4	M220 N221 Y228 R229	M220-Q225 HydrophobicContact CB-CG 4.31Å; N221-Q225 PolarHBondContact O-N 2.84Å; N221-Q225 VanDerWaalsContact O-N 3.1Å; Q225-Y228 PolarHBondContact O-N 3.03Å; Q225-R229 WeakPolarHBondContact O-CG 3.18Å; Q225-R229 PolarHBondContact O-N 3.19Å
226	D	38.5	Very low	34.5	Very low	82 Å²	82	111.8 Å²	111.8	44%	0.439	54%	0.539	S	S	.	.	H	α-helix	trans	-72.3	-34.2	178.4	-83.6	-14.7	0	0	0	113.6	N222 N223 R229 R230	N222-D226 PolarHBondContact O-N 2.86Å; N222-D226 VanDerWaalsContact O-N 3.13Å; N223-D226 PolarHBondContact O-N 3.4Å; D226-R229 IonicContact OD1-NH1 3.67Å; D226-R230 PolarHBondContact O-N 3.36Å; D226-R230 VanDerWaalsContact O-N 3.11Å
227	I	37.1	Very low	34.8	Very low	99 Å²	99	110.4 Å²	110.4	51%	0.508	53%	0.532	S	S	.	.	H	α-helix	trans	-63.9	-48.5	170.8	-69.1	163.8	0	0	0	109.3	N223 Q224 R229 R230 D231	N223-I227 WeakPolarHBondContact O-CD1 3.22Å; N223-I227 WeakPolarHBondContact O-CG1 3.48Å; N223-I227 PolarHBondContact O-N 3.18Å; Q224-I227 PolarHBondContact O-N 3.4Å; I227-R229 VanDerWaalsContact C-N 3.34Å; I227-R229 PolarHBondContact O-N 2.99Å; I227-R230 PolarHBondContact O-N 3.48Å; I227-R230 VanDerWaalsContact O-N 3.11Å; I227-D231 WeakPolarHBondContact CG2-OD2 3.33Å; I227-D231 PolarHBondContact O-N 2.9Å
228	Y	34.7	Very low	34.9	Very low	101 Å²	101	111 Å²	111	40%	0.396	52%	0.524	S	S	.	.	H	α-helix	trans	-58.3	-43.4	178.2	-162.2	-90.6	0	0	0	112.2	Q224 Q225 R230 D231 M232 C401	Q224-Y228 WeakPolarHBondContact O-CB 3.49Å; Q224-Y228 PolarHBondContact O-N 3.28Å; Q225-Y228 PolarHBondContact O-N 3.03Å; Y228-R230 PolarHBondContact O-N 3.11Å; Y228-D231 PolarHBondContact O-N 3.43Å; Y228-M232 HydrophobicContact CD1-CG 4.08Å; Y228-M232 HydrophobicContact CE1-CG 3.96Å; Y228-M232 HydrophobicContact CE1-SD 4.48Å; Y228-M232 WeakPolarHBondContact O-CB 3.13Å; Y228-M232 VanDerWaalsContact O-CG 3.24Å; Y228-M232 WeakPolarHBondContact O-CG 3.25Å; Y228-M232 PolarHBondContact O-N 3.31Å; Y228-C401 WeakPolarHBondContact OH-CB 3.48Å
229	R	37.7	Very low	35	Very low	150 Å²	150	107.5 Å²	107.5	57%	0.566	51%	0.51	S	S	*	.	H	α-helix	trans	-62.7	-40.4	175.3	-76.8	175.3	-178.7	161.3	0.9	112.9	Q225 D226 I227 I233	Q225-R229 WeakPolarHBondContact O-CG 3.18Å; Q225-R229 PolarHBondContact O-N 3.19Å; D226-R229 IonicContact OD1-NH1 3.67Å; I227-R229 VanDerWaalsContact C-N 3.34Å; I227-R229 PolarHBondContact O-N 2.99Å; R229-I233 WeakPolarHBondContact O-CD1 3.45Å; R229-I233 VanDerWaalsContact O-CG1 3.24Å; R229-I233 WeakPolarHBondContact O-CG1 3.31Å; R229-I233 PolarHBondContact O-N 3.34Å; R229-I233 VanDerWaalsContact O-N 3.14Å
230	R	38.6	Very low	35.1	Very low	190 Å²	190	104.2 Å²	104.2	72%	0.717	49%	0.485	S	S	*	.	H	α-helix	trans	-67.9	-43	177.3	-84.2	-174.8	-169.5	156.6	10.1	112.5	D226 I227 Y228 M232 I233 Y234	D226-R230 PolarHBondContact O-N 3.36Å; D226-R230 VanDerWaalsContact O-N 3.11Å; I227-R230 PolarHBondContact O-N 3.48Å; I227-R230 VanDerWaalsContact O-N 3.11Å; Y228-R230 PolarHBondContact O-N 3.11Å; R230-M232 VanDerWaalsContact C-N 3.32Å; R230-M232 PolarHBondContact O-N 3.39Å; R230-I233 PolarHBondContact O-N 3Å; R230-Y234 WeakPolarHBondContact O-CB 3.5Å; R230-Y234 PolarHBondContact O-N 3.16Å
231	D	36.9	Very low	35	Very low	91 Å²	91	105 Å²	105	49%	0.487	50%	0.495	S	S	.	.	H	α-helix	trans	-65.4	-39.5	-179.2	-67.3	-16.3	0	0	0	110.5	I227 Y228 Y234 L235	I227-D231 WeakPolarHBondContact CG2-OD2 3.33Å; I227-D231 PolarHBondContact O-N 2.9Å; Y228-D231 PolarHBondContact O-N 3.43Å; D231-Y234 PolarHBondContact O-N 3.31Å; D231-L235 WeakPolarHBondContact O-CB 3.31Å; D231-L235 VanDerWaalsContact O-CG 3.28Å; D231-L235 WeakPolarHBondContact O-CG 3.48Å; D231-L235 PolarHBondContact O-N 3.03Å
232	M	33.8	Very low	35.1	Very low	75 Å²	75	102.4 Å²	102.4	37%	0.369	48%	0.482	S	S	.	.	H	α-helix	trans	-64.2	-41	173.5	-71.1	-62.8	-68	0	0	113.3	Y228 R230 Y234 L236	Y228-M232 HydrophobicContact CD1-CG 4.08Å; Y228-M232 HydrophobicContact CE1-CG 3.96Å; Y228-M232 HydrophobicContact CE1-SD 4.48Å; Y228-M232 WeakPolarHBondContact O-CB 3.13Å; Y228-M232 VanDerWaalsContact O-CG 3.24Å; Y228-M232 WeakPolarHBondContact O-CG 3.25Å; Y228-M232 PolarHBondContact O-N 3.31Å; R230-M232 VanDerWaalsContact C-N 3.32Å; R230-M232 PolarHBondContact O-N 3.39Å; M232-Y234 VanDerWaalsContact C-N 3.35Å; M232-L236 WeakPolarHBondContact O-CB 3.39Å; M232-L236 PolarHBondContact O-N 2.94Å
233	I	35.8	Very low	35.2	Very low	104 Å²	104	99.2 Å²	99.2	53%	0.533	46%	0.461	S	S	.	.	H	α-helix	trans	-67	-37.3	176.3	-69.6	166.1	0	0	0	111.1	R229 R230 N237	R229-I233 WeakPolarHBondContact O-CD1 3.45Å; R229-I233 VanDerWaalsContact O-CG1 3.24Å; R229-I233 WeakPolarHBondContact O-CG1 3.31Å; R229-I233 PolarHBondContact O-N 3.34Å; R229-I233 VanDerWaalsContact O-N 3.14Å; R230-I233 PolarHBondContact O-N 3Å; I233-N237 PolarHBondContact O-N 3.41Å; I233-N237 VanDerWaalsContact O-N 3.11Å; I233-N237 PolarHBondContact O-ND2 2.85Å
234	Y	33.8	Very low	35.5	Very low	177 Å²	177	98.2 Å²	98.2	69%	0.694	46%	0.456	S	S	*	.	H	α-helix	trans	-67.4	-45.3	177.3	-168.3	-92.5	0	0	0	111.3	R230 D231 M232 N237 Y238	R230-Y234 WeakPolarHBondContact O-CB 3.5Å; R230-Y234 PolarHBondContact O-N 3.16Å; D231-Y234 PolarHBondContact O-N 3.31Å; M232-Y234 VanDerWaalsContact C-N 3.35Å; Y234-N237 PolarHBondContact O-N 3.04Å; Y234-Y238 WeakPolarHBondContact O-CB 3.3Å; Y234-Y238 PolarHBondContact O-N 3.11Å
235	L	33.8	Very low	35.7	Very low	71 Å²	71	99.3 Å²	99.3	37%	0.372	46%	0.457	S	S	.	.	H	α-helix	trans	-62.4	-41.1	176.2	-73.8	167.4	0	0	0	112.3	D231 Y238 W239 L404	D231-L235 WeakPolarHBondContact O-CB 3.31Å; D231-L235 VanDerWaalsContact O-CG 3.28Å; D231-L235 WeakPolarHBondContact O-CG 3.48Å; D231-L235 PolarHBondContact O-N 3.03Å; L235-Y238 PolarHBondContact O-N 3.02Å; L235-W239 WeakPolarHBondContact O-CB 3.43Å; L235-W239 PolarHBondContact O-N 2.66Å; L235-L404 HydrophobicContact CB-CD1 4.07Å
236	L	34.1	Very low	36	Very low	97 Å²	97	98.8 Å²	98.8	51%	0.508	45%	0.452	S	S	.	.	H	α-helix	trans	-65.4	-42.1	177.7	-171.4	70.7	0	0	0	112.3	M232 W239 L240	M232-L236 WeakPolarHBondContact O-CB 3.39Å; M232-L236 PolarHBondContact O-N 2.94Å; L236-W239 PolarHBondContact O-N 3.04Å; L236-L240 WeakPolarHBondContact O-CG 3.28Å; L236-L240 PolarHBondContact O-N 3.1Å
237	N	34.1	Very low	36.2	Very low	91 Å²	91	98 Å²	98	49%	0.487	45%	0.451	S	S	.	.	H	α-helix	trans	-68.8	-38	176.5	-78.2	-58.2	0	0	0	112.1	I233 Y234 V241	I233-N237 PolarHBondContact O-N 3.41Å; I233-N237 VanDerWaalsContact O-N 3.11Å; I233-N237 PolarHBondContact O-ND2 2.85Å; Y234-N237 PolarHBondContact O-N 3.04Å; N237-V241 VanDerWaalsContact O-CG2 3.31Å; N237-V241 WeakPolarHBondContact O-CG2 3.39Å; N237-V241 PolarHBondContact O-N 3.33Å
238	Y	34.4	Very low	36.6	Very low	152 Å²	152	96.3 Å²	96.3	60%	0.596	45%	0.447	S	S	*	.	H	α-helix	trans	-61.5	-46.7	173.7	-170.4	-98.7	0	0	0	110.5	Y234 L235 V241 T242	Y234-Y238 WeakPolarHBondContact O-CB 3.3Å; Y234-Y238 PolarHBondContact O-N 3.11Å; L235-Y238 PolarHBondContact O-N 3.02Å; Y238-V241 PolarHBondContact O-N 3.36Å; Y238-T242 HydrophobicContact CD1-CG2 4.19Å; Y238-T242 HydrophobicContact CE1-CG2 3.83Å; Y238-T242 PolarHBondContact O-N 3.39Å; Y238-T242 PolarHBondContact O-OG1 3.37Å
239	W	31.6	Very low	36.9	Very low	72 Å²	72	93.3 Å²	93.3	27%	0.273	44%	0.438	S	S	.	.	H	α-helix	trans	-58.7	-48.2	177.3	-177.4	80	0	0	0	113	L235 L236 V241 T242 R243 L404 D405	L235-W239 WeakPolarHBondContact O-CB 3.43Å; L235-W239 PolarHBondContact O-N 2.66Å; L236-W239 PolarHBondContact O-N 3.04Å; W239-V241 VanDerWaalsContact C-N 3.34Å; W239-V241 PolarHBondContact O-N 3.48Å; W239-T242 WeakPolarHBondContact CA-OG1 3.26Å; W239-T242 PolarHBondContact O-N 2.7Å; W239-T242 PolarHBondContact O-OG1 3.46Å; W239-R243 WeakPolarHBondContact O-CB 2.99Å; W239-R243 PolarHBondContact O-N 3.3Å; W239-L404 HydrophobicContact CB-CD2 4.19Å; W239-L404 VanDerWaalsContact CD1-CD2 3.42Å; W239-L404 HydrophobicContact CD2-CD2 4.19Å; W239-L404 HydrophobicContact CG-CD2 3.69Å; W239-D405 PolarHBondContact NE1-OD2 3.39Å
240	L	32.7	Very low	37.2	Very low	59 Å²	59	88.9 Å²	88.9	31%	0.309	43%	0.425	S	S	.	.	H	α-helix	trans	-60.3	-41.6	178.8	-72.6	170.1	0	0	0	112.3	L236 D244	L236-L240 WeakPolarHBondContact O-CG 3.28Å; L236-L240 PolarHBondContact O-N 3.1Å; L240-D244 VanDerWaalsContact O-CG 3.31Å; L240-D244 PolarHBondContact O-N 2.9Å; L240-D244 VanDerWaalsContact O-N 3.1Å
241	V	33.2	Very low	37.6	Very low	106 Å²	106	83.7 Å²	83.7	64%	0.642	41%	0.412	S	S	*	.	H	α-helix	trans	-69.9	-43	178.7	172.8	0	0	0	0	111.6	N237 Y238 W239 R243 Y245	N237-V241 VanDerWaalsContact O-CG2 3.31Å; N237-V241 WeakPolarHBondContact O-CG2 3.39Å; N237-V241 PolarHBondContact O-N 3.33Å; Y238-V241 PolarHBondContact O-N 3.36Å; W239-V241 VanDerWaalsContact C-N 3.34Å; W239-V241 PolarHBondContact O-N 3.48Å; V241-R243 VanDerWaalsContact C-N 3.35Å; V241-Y245 WeakPolarHBondContact O-CB 3.31Å; V241-Y245 PolarHBondContact O-N 3Å
242	T	35.1	Very low	38.1	Very low	32 Å²	32	83.8 Å²	83.8	20%	0.196	41%	0.412	C	S	.	.	H	α-helix	trans	-65.6	-39.5	176	44.9	0	0	0	0	111.6	Y238 W239 Y245 Y246	Y238-T242 HydrophobicContact CD1-CG2 4.19Å; Y238-T242 HydrophobicContact CE1-CG2 3.83Å; Y238-T242 PolarHBondContact O-N 3.39Å; Y238-T242 PolarHBondContact O-OG1 3.37Å; W239-T242 WeakPolarHBondContact CA-OG1 3.26Å; W239-T242 PolarHBondContact O-N 2.7Å; W239-T242 PolarHBondContact O-OG1 3.46Å; T242-Y245 PolarHBondContact O-N 2.93Å; T242-Y246 HydrophobicContact CG2-CE2 4.32Å; T242-Y246 WeakPolarHBondContact O-CD2 3.28Å; T242-Y246 PolarHBondContact O-N 3.26Å
243	R	38.7	Very low	38.5	Very low	55 Å²	55	82.3 Å²	82.3	21%	0.208	40%	0.404	C	S	.	.	H	α-helix	trans	-62.7	-52.7	179.8	-176.3	-165.8	70.8	164.3	6.6	111.4	Q190 W239 V241 Y245 Y246 T247	Q190-R243 VanDerWaalsContact CD-NH1 3.35Å; W239-R243 WeakPolarHBondContact O-CB 2.99Å; W239-R243 PolarHBondContact O-N 3.3Å; V241-R243 VanDerWaalsContact C-N 3.35Å; R243-Y245 PolarHBondContact O-N 3.44Å; R243-Y246 PolarHBondContact O-N 2.86Å; R243-T247 WeakPolarHBondContact O-CB 3.29Å; R243-T247 PolarHBondContact O-N 3.38Å; R243-T247 PolarHBondContact O-OG1 3.28Å
244	D	41.2	Very low	38.9	Very low	95 Å²	95	80.6 Å²	80.6	51%	0.508	39%	0.393	S	S	.	.	H	α-helix	trans	-62.9	-33.9	-178.9	-66.1	-5.3	0	0	0	111.4	L240 S248	L240-D244 VanDerWaalsContact O-CG 3.31Å; L240-D244 PolarHBondContact O-N 2.9Å; L240-D244 VanDerWaalsContact O-N 3.1Å; D244-S248 WeakPolarHBondContact O-CB 3.42Å; D244-S248 PolarHBondContact O-N 2.97Å; D244-S248 VanDerWaalsContact O-N 3.11Å
245	Y	40	Very low	39.5	Very low	106 Å²	106	79.3 Å²	79.3	42%	0.416	39%	0.394	S	S	.	.	H	α-helix	trans	-65.2	-50.6	172.5	176	-99.6	0	0	0	112.7	V241 T242 R243 S248 L249 N441	V241-Y245 WeakPolarHBondContact O-CB 3.31Å; V241-Y245 PolarHBondContact O-N 3Å; T242-Y245 PolarHBondContact O-N 2.93Å; R243-Y245 PolarHBondContact O-N 3.44Å; Y245-S248 PolarHBondContact O-N 3.41Å; Y245-L249 WeakPolarHBondContact O-CB 3.33Å; Y245-L249 PolarHBondContact O-N 2.94Å; Y245-N441 PolarHBondContact OH-OD1 2.86Å
246	Y	40.5	Very low	39.9	Very low	69 Å²	69	78.9 Å²	78.9	27%	0.271	39%	0.392	S	S	.	.	H	α-helix	trans	-70.6	-34.3	-178.3	-70.7	-58.7	0	0	0	112.9	T242 R243 L249 L250 F354	T242-Y246 HydrophobicContact CG2-CE2 4.32Å; T242-Y246 WeakPolarHBondContact O-CD2 3.28Å; T242-Y246 PolarHBondContact O-N 3.26Å; R243-Y246 PolarHBondContact O-N 2.86Å; Y246-L249 HydrophobicContact CD1-CD2 4.38Å; Y246-L249 PolarHBondContact O-N 3.47Å; Y246-L250 WeakPolarHBondContact O-CB 3.47Å; Y246-L250 PolarHBondContact O-N 2.96Å; Y246-F354 AromaticContact CD1-CE2 3.71Å; Y246-F354 HydrophobicContact CD1-CE2 3.71Å; Y246-F354 HydrophobicContact CD1-CZ 4.17Å; Y246-F354 AromaticContact CE1-CE2 3.89Å; Y246-F354 HydrophobicContact CE1-CE2 3.89Å
247	T	42.9	Very low	40.2	Very low	67 Å²	67	75.5 Å²	75.5	41%	0.411	37%	0.373	S	S	.	.	H	α-helix	trans	-65.6	-42.3	172.4	-54.5	0	0	0	0	111.2	R243 L249 L250 N251	R243-T247 WeakPolarHBondContact O-CB 3.29Å; R243-T247 PolarHBondContact O-N 3.38Å; R243-T247 PolarHBondContact O-OG1 3.28Å; T247-L249 VanDerWaalsContact C-N 3.34Å; T247-L249 PolarHBondContact O-N 3.03Å; T247-L250 PolarHBondContact O-N 2.77Å; T247-N251 WeakPolarHBondContact O-CB 3.46Å; T247-N251 PolarHBondContact O-N 3.11Å; T247-N251 PolarHBondContact O-ND2 3.46Å
248	S	45.2	Very low	40.5	Very low	62 Å²	62	74.9 Å²	74.9	43%	0.434	37%	0.369	S	S	.	.	H	α-helix	trans	-64.5	-38.6	173.8	-176.8	0	0	0	0	112.2	D244 Y245 N252	D244-S248 WeakPolarHBondContact O-CB 3.42Å; D244-S248 PolarHBondContact O-N 2.97Å; D244-S248 VanDerWaalsContact O-N 3.11Å; Y245-S248 PolarHBondContact O-N 3.41Å; S248-N252 VanDerWaalsContact O-CB 3.29Å; S248-N252 WeakPolarHBondContact O-CB 3.19Å; S248-N252 PolarHBondContact O-N 3.22Å; S248-N252 PolarHBondContact O-ND2 2.97Å
249	L	41.7	Very low	40.8	Very low	38 Å²	38	70.8 Å²	70.8	20%	0.199	36%	0.363	C	S	.	.	H	α-helix	trans	-65.7	-42.8	177.3	-174.4	71.5	0	0	0	111.5	Y245 Y246 T247 F253 N351 F354	Y245-L249 WeakPolarHBondContact O-CB 3.33Å; Y245-L249 PolarHBondContact O-N 2.94Å; Y246-L249 HydrophobicContact CD1-CD2 4.38Å; Y246-L249 PolarHBondContact O-N 3.47Å; T247-L249 VanDerWaalsContact C-N 3.34Å; T247-L249 PolarHBondContact O-N 3.03Å; L249-F253 WeakPolarHBondContact O-CB 3.49Å; L249-F253 PolarHBondContact O-N 3.31Å; L249-N351 WeakPolarHBondContact CD2-ND2 3.22Å; L249-F354 HydrophobicContact CD2-CE2 4.47Å
250	L	43.2	Very low	41	Very low	57 Å²	57	72.2 Å²	72.2	30%	0.298	37%	0.371	S	S	.	.	H	α-helix	trans	-65.7	-44.4	177.6	-172.8	68.6	0	0	0	111.7	Y246 T247 F253 Q254	Y246-L250 WeakPolarHBondContact O-CB 3.47Å; Y246-L250 PolarHBondContact O-N 2.96Å; T247-L250 PolarHBondContact O-N 2.77Å; L250-F253 PolarHBondContact O-N 2.89Å; L250-Q254 WeakPolarHBondContact O-CB 3.35Å; L250-Q254 WeakPolarHBondContact O-CG 3.36Å; L250-Q254 PolarHBondContact O-N 3.05Å
251	N	47.6	Very low	41.1	Very low	82 Å²	82	73 Å²	73	44%	0.439	38%	0.375	S	S	.	.	H	α-helix	trans	-63.4	-44.4	176.8	-69.7	-11.1	0	0	0	111.4	T247 F253 Q254 E255	T247-N251 WeakPolarHBondContact O-CB 3.46Å; T247-N251 PolarHBondContact O-N 3.11Å; T247-N251 PolarHBondContact O-ND2 3.46Å; N251-F253 VanDerWaalsContact C-N 3.35Å; N251-Q254 PolarHBondContact O-N 2.94Å; N251-E255 PolarHBondContact O-N 3.18Å
252	N	47.2	Very low	41.2	Very low	93 Å²	93	73.8 Å²	73.8	50%	0.497	38%	0.376	S	S	.	.	H	α-helix	trans	-63.6	-41.8	174.6	-72.3	-18.6	0	0	0	111	S248 Q254 E255 D256	S248-N252 VanDerWaalsContact O-CB 3.29Å; S248-N252 WeakPolarHBondContact O-CB 3.19Å; S248-N252 PolarHBondContact O-N 3.22Å; S248-N252 PolarHBondContact O-ND2 2.97Å; N252-Q254 VanDerWaalsContact C-N 3.34Å; N252-Q254 PolarHBondContact O-N 3.29Å; N252-E255 PolarHBondContact O-N 2.81Å; N252-D256 WeakPolarHBondContact O-CB 3.45Å; N252-D256 PolarHBondContact O-N 3.08Å
253	F	42.2	Very low	41	Very low	43 Å²	43	77.6 Å²	77.6	19%	0.189	40%	0.395	C	S	.	.	H	α-helix	trans	-62.3	-41.7	176.4	-172	-93.4	0	0	0	111.2	L249 L250 N251 F257 V433 I437	L249-F253 WeakPolarHBondContact O-CB 3.49Å; L249-F253 PolarHBondContact O-N 3.31Å; L250-F253 PolarHBondContact O-N 2.89Å; N251-F253 VanDerWaalsContact C-N 3.35Å; F253-F257 HydrophobicContact CD1-CB 4.5Å; F253-F257 HydrophobicContact CE1-CB 4.45Å; F253-F257 HydrophobicContact CE1-CD2 4.23Å; F253-F257 HydrophobicContact CE1-CG 4.38Å; F253-F257 HydrophobicContact CZ-CD2 4.34Å; F253-F257 WeakPolarHBondContact O-CA 3.22Å; F253-F257 WeakPolarHBondContact O-CB 3.1Å; F253-F257 PolarHBondContact O-N 3.4Å; F253-V433 HydrophobicContact CZ-CG1 4Å; F253-I437 HydrophobicContact CE2-CD1 4.42Å; F253-I437 HydrophobicContact CE2-CG1 4.01Å; F253-I437 HydrophobicContact CZ-CD1 4.42Å; F253-I437 HydrophobicContact CZ-CG1 4.49Å
254	Q	44.1	Very low	40.5	Very low	68 Å²	68	80 Å²	80	32%	0.318	42%	0.417	S	S	.	.	H	α-helix	trans	-64.6	-46.6	176.5	-76.6	175.9	-23.7	0	0	112.6	L250 N251 N252 D256 F257 L258	L250-Q254 WeakPolarHBondContact O-CB 3.35Å; L250-Q254 WeakPolarHBondContact O-CG 3.36Å; L250-Q254 PolarHBondContact O-N 3.05Å; N251-Q254 PolarHBondContact O-N 2.94Å; N252-Q254 VanDerWaalsContact C-N 3.34Å; N252-Q254 PolarHBondContact O-N 3.29Å; Q254-D256 PolarHBondContact O-N 3.39Å; Q254-F257 PolarHBondContact O-N 3.11Å; Q254-L258 WeakPolarHBondContact O-CB 3.12Å; Q254-L258 WeakPolarHBondContact O-CD1 3.4Å; Q254-L258 WeakPolarHBondContact O-CG 2.84Å; Q254-L258 PolarHBondContact O-N 2.79Å
255	E	45.8	Very low	39.7	Very low	150 Å²	150	82.1 Å²	82.1	70%	0.701	43%	0.428	S	S	*	.	H	α-helix	trans	-65	-39.5	177.1	-71.6	-157.9	171.6	0	0	112.3	N251 N252 S259	N251-E255 PolarHBondContact O-N 3.18Å; N252-E255 PolarHBondContact O-N 2.81Å; E255-S259 WeakPolarHBondContact O-CB 3.01Å; E255-S259 PolarHBondContact O-N 3.15Å; E255-S259 PolarHBondContact O-OG 3.07Å
256	D	43	Very low	39.1	Very low	62 Å²	62	85.7 Å²	85.7	33%	0.332	45%	0.451	S	S	.	.	H	α-helix	trans	-74.5	-31.9	-179.7	-143	35.2	0	0	0	111.7	N252 Q254 S259 K260 K436	N252-D256 WeakPolarHBondContact O-CB 3.45Å; N252-D256 PolarHBondContact O-N 3.08Å; Q254-D256 PolarHBondContact O-N 3.39Å; D256-S259 PolarHBondContact O-OG 2.74Å; D256-K260 WeakPolarHBondContact O-CB 3.08Å; D256-K260 VanDerWaalsContact O-CD 3.32Å; D256-K260 WeakPolarHBondContact O-CD 3.24Å; D256-K260 VanDerWaalsContact O-CG 3.29Å; D256-K260 WeakPolarHBondContact O-CG 3.49Å; D256-K260 PolarHBondContact O-N 3.3Å; D256-K260 IonicContact OD1-NZ 3.47Å; D256-K260 PolarHBondContact OD1-NZ 2.83Å; D256-K260 IonicContact OD2-NZ 2.97Å; D256-K260 PolarHBondContact OD2-NZ 3.18Å; D256-K436 IonicContact OD2-NZ 2.77Å; D256-K436 PolarHBondContact OD2-NZ 3.34Å
257	F	40.4	Very low	38.5	Very low	26 Å²	26	88 Å²	88	11%	0.114	48%	0.477	C	S	.	.	H	α-helix	trans	-76.1	-47	176	-174.2	-106.4	0	0	0	111.6	F253 Q254 K260 I261 Y419 F423 L425 V433	F253-F257 HydrophobicContact CD1-CB 4.5Å; F253-F257 HydrophobicContact CE1-CB 4.45Å; F253-F257 HydrophobicContact CE1-CD2 4.23Å; F253-F257 HydrophobicContact CE1-CG 4.38Å; F253-F257 HydrophobicContact CZ-CD2 4.34Å; F253-F257 WeakPolarHBondContact O-CA 3.22Å; F253-F257 WeakPolarHBondContact O-CB 3.1Å; F253-F257 PolarHBondContact O-N 3.4Å; Q254-F257 PolarHBondContact O-N 3.11Å; F257-K260 PolarHBondContact O-N 2.94Å; F257-I261 HydrophobicContact CD1-CD1 3.62Å; F257-I261 HydrophobicContact CD2-CD1 3.99Å; F257-I261 HydrophobicContact CE1-CD1 3.3Å; F257-I261 HydrophobicContact CE2-CD1 3.7Å; F257-I261 HydrophobicContact CG-CD1 3.96Å; F257-I261 HydrophobicContact CZ-CD1 3.35Å; F257-I261 WeakPolarHBondContact O-CB 2.99Å; F257-I261 WeakPolarHBondContact O-CG1 2.93Å; F257-I261 PolarHBondContact O-N 2.91Å; F257-Y419 HydrophobicContact CD1-CE1 4.11Å; F257-Y419 AromaticContact CE1-CE1 3.74Å; F257-Y419 HydrophobicContact CE1-CE1 3.74Å; F257-F423 HydrophobicContact CD1-CE1 4.5Å; F257-F423 AromaticContact CE1-CD1 3.85Å; F257-F423 HydrophobicContact CE1-CD1 3.85Å; F257-F423 AromaticContact CE1-CE1 3.69Å; F257-F423 HydrophobicContact CE1-CE1 3.69Å; F257-F423 HydrophobicContact CE1-CG 4.4Å; F257-F423 HydrophobicContact CE1-CZ 4.1Å; F257-F423 HydrophobicContact CZ-CD1 4.22Å; F257-F423 HydrophobicContact CZ-CE1 4.47Å; F257-L425 HydrophobicContact CZ-CD1 4.42Å; F257-L425 HydrophobicContact CZ-CD2 4.23Å; F257-V433 HydrophobicContact CE2-CG2 4.1Å
258	L	39.1	Very low	37.7	Very low	78 Å²	78	92.5 Å²	92.5	41%	0.408	50%	0.497	S	S	.	.	H	α-helix	trans	-68.8	-33.4	178.4	-69.4	168.4	0	0	0	112.6	Q254 N262	Q254-L258 WeakPolarHBondContact O-CB 3.12Å; Q254-L258 WeakPolarHBondContact O-CD1 3.4Å; Q254-L258 WeakPolarHBondContact O-CG 2.84Å; Q254-L258 PolarHBondContact O-N 2.79Å; L258-N262 WeakPolarHBondContact O-CB 3.21Å; L258-N262 PolarHBondContact O-ND2 3.19Å
259	S	40.5	Very low	36.7	Very low	67 Å²	67	95.6 Å²	95.6	47%	0.469	51%	0.508	S	S	.	.	H	α-helix	trans	-71.8	-30.1	175.8	60.6	0	0	0	0	113.3	E255 D256	E255-S259 WeakPolarHBondContact O-CB 3.01Å; E255-S259 PolarHBondContact O-N 3.15Å; E255-S259 PolarHBondContact O-OG 3.07Å; D256-S259 PolarHBondContact O-OG 2.74Å
260	K	36.8	Very low	36	Very low	101 Å²	101	101.4 Å²	101.4	44%	0.439	53%	0.534	S	S	.	.	H	α-helix	trans	-94.2	-26.2	-175.6	-71.1	171.3	-175.1	156.3	0	114.1	D256 F257 N262 N263	D256-K260 WeakPolarHBondContact O-CB 3.08Å; D256-K260 VanDerWaalsContact O-CD 3.32Å; D256-K260 WeakPolarHBondContact O-CD 3.24Å; D256-K260 VanDerWaalsContact O-CG 3.29Å; D256-K260 WeakPolarHBondContact O-CG 3.49Å; D256-K260 PolarHBondContact O-N 3.3Å; D256-K260 IonicContact OD1-NZ 3.47Å; D256-K260 PolarHBondContact OD1-NZ 2.83Å; D256-K260 IonicContact OD2-NZ 2.97Å; D256-K260 PolarHBondContact OD2-NZ 3.18Å; F257-K260 PolarHBondContact O-N 2.94Å; K260-N262 VanDerWaalsContact C-N 3.35Å; K260-N263 CarbonylContact O-C 3.53Å
261	I	35.2	Very low	35.2	Very low	77 Å²	77	104.3 Å²	104.3	40%	0.395	55%	0.55	S	S	.	*	H	α-helix	trans	-68.7	-35.6	169.4	-73.1	176.5	0	0	0	111.1	F257 F423	F257-I261 HydrophobicContact CD1-CD1 3.62Å; F257-I261 HydrophobicContact CD2-CD1 3.99Å; F257-I261 HydrophobicContact CE1-CD1 3.3Å; F257-I261 HydrophobicContact CE2-CD1 3.7Å; F257-I261 HydrophobicContact CG-CD1 3.96Å; F257-I261 HydrophobicContact CZ-CD1 3.35Å; F257-I261 WeakPolarHBondContact O-CB 2.99Å; F257-I261 WeakPolarHBondContact O-CG1 2.93Å; F257-I261 PolarHBondContact O-N 2.91Å; I261-F423 HydrophobicContact CD1-CD1 4.21Å; I261-F423 HydrophobicContact CD1-CE1 4.03Å
262	N	34.3	Very low	34.2	Very low	121 Å²	121	107.1 Å²	107.1	65%	0.647	57%	0.565	S	S	*	*	S	Bend	trans	-85.3	-5.3	-177.9	-70.4	-43.9	0	0	0	114.5	L258 K260	L258-N262 WeakPolarHBondContact O-CB 3.21Å; L258-N262 PolarHBondContact O-ND2 3.19Å; K260-N262 VanDerWaalsContact C-N 3.35Å
263	N	32	Very low	33.2	Very low	113 Å²	113	109.3 Å²	109.3	60%	0.604	58%	0.577	S	S	*	*			trans	-152.5	96.1	174.2	-107	-39.8	0	0	0	110.8	K260 L265	K260-N263 CarbonylContact O-C 3.53Å; N263-L265 PolarHBondContact O-N 3.33Å
264	P	27.9	Very low	32.3	Very low	104 Å²	104	114.5 Å²	114.5	68%	0.675	61%	0.607	S	S	*	*	S	Bend	trans	-69.2	-0.6	-179.7	-16.4	30.1	0	0	0	114.4
265	L	24.9	Very low	31.5	Very low	140 Å²	140	116.9 Å²	116.9	73%	0.733	62%	0.621	S	S	*	*			trans	-137.2	106.1	-173.7	-67.1	168.7	0	0	0	108.4	N263	N263-L265 PolarHBondContact O-N 3.33Å
266	M	26.7	Very low	30.6	Very low	182 Å²	182	118.1 Å²	118.1	90%	0.897	63%	0.632	S	S	*	*			trans	160.4	99.1	148.3	-88.5	-72.7	-119.9	0	0	111.6
267	S	28.7	Very low	30	Very low	118 Å²	118	120 Å²	120	83%	0.825	64%	0.642	S	S	*	*				160.6	67.7	129.1	51.2	0	0	0	0	110.4
268	I	24.3	Very low	29.7	Very low	161 Å²	161	125.2 Å²	125.2	83%	0.826	67%	0.671	S	S	*	*			trans	-87.4	108.8	153.4	-63.9	169.2	0	0	0	105.1
269	N	25.5	Very low	29.5	Very low	126 Å²	126	128.6 Å²	128.6	67%	0.674	68%	0.683	S	S	*	*			trans	164.4	112.7	141.9	-88.4	-21.3	0	0	0	110
270	H	27.3	Very low	29.3	Very low	160 Å²	160	131 Å²	131	74%	0.741	69%	0.69	S	S	*	*				-171.4	114	100.2	-98.7	-64.4	0	0	0	111.4
271	N	26	Very low	29.4	Very low	119 Å²	119	129.3 Å²	129.3	64%	0.636	69%	0.691	S	S	*	*			trans	58.6	95.2	135	-60.4	-4.1	0	0	0	119.1
272	N	25.7	Very low	29.6	Very low	140 Å²	140	129 Å²	129	75%	0.749	69%	0.685	S	S	*	*				136.3	120.6	115.3	-72.6	-14.9	0	0	0	113.1
273	N	25.9	Very low	29.9	Very low	140 Å²	140	126.8 Å²	126.8	75%	0.749	67%	0.673	S	S	*	*			trans	91.6	79.2	164.6	-54	-16.7	0	0	0	117.5
274	N	24.7	Very low	30.4	Very low	152 Å²	152	126.2 Å²	126.2	81%	0.813	67%	0.669	S	S	*	*			trans	54	94.2	132.1	-64.5	-10	0	0	0	119.2
275	L	27.8	Very low	31.1	Very low	118 Å²	118	127.3 Å²	127.3	62%	0.618	66%	0.661	S	S	*	*				-167.2	90.5	127.3	-104.7	137.6	0	0	0	108	L277	L275-L277 VanDerWaalsContact C-N 3.33Å; L275-L277 PolarHBondContact O-N 2.87Å
276	D	25.6	Very low	31.8	Very low	175 Å²	175	122.2 Å²	122.2	94%	0.936	63%	0.634	S	S	*	*			trans	-64.1	90.5	169.2	-87.6	-27.6	0	0	0	109.6
277	L	31.2	Very low	32.7	Very low	103 Å²	103	116.6 Å²	116.6	54%	0.539	61%	0.605	S	S	.	*			trans	-93.1	92	162.4	-77.2	166.2	0	0	0	107.6	L275 K279 Y282	L275-L277 VanDerWaalsContact C-N 3.33Å; L275-L277 PolarHBondContact O-N 2.87Å; L277-K279 PolarHBondContact O-N 3.44Å; L277-Y282 HydrophobicContact CD1-CD2 4.34Å
278	N	32.8	Very low	33.5	Very low	135 Å²	135	119.8 Å²	119.8	72%	0.722	60%	0.604	S	S	*	*			trans	-49.9	125.7	170.7	-123.7	-21.2	0	0	0	109	N280 S281	N278-N280 PolarHBondContact O-N 2.86Å; N278-S281 PolarHBondContact O-N 3.36Å; N278-S281 PolarHBondContact O-OG 3.49Å
279	K	35.4	Very low	34.3	Very low	149 Å²	149	119.1 Å²	119.1	65%	0.648	60%	0.597	S	S	*	*	H	α-helix	trans	-44.7	-25.8	-171.4	-153.8	174	-176.9	-179.4	0	115	L277 I283	L277-K279 PolarHBondContact O-N 3.44Å; K279-I283 WeakPolarHBondContact O-CB 3.45Å; K279-I283 WeakPolarHBondContact O-CD1 3.36Å; K279-I283 VanDerWaalsContact O-CG1 3.3Å; K279-I283 WeakPolarHBondContact O-CG1 3.39Å
280	N	35.9	Very low	35	Very low	118 Å²	118	114.7 Å²	114.7	63%	0.631	57%	0.574	S	S	*	*	H	α-helix	trans	-83.9	-32.5	179.4	-63.2	-16.4	0	0	0	113.7	N278 D284	N278-N280 PolarHBondContact O-N 2.86Å; N280-D284 WeakPolarHBondContact O-CB 3.31Å; N280-D284 PolarHBondContact O-N 2.86Å
281	S	39.4	Very low	35.4	Very low	64 Å²	64	116.6 Å²	116.6	45%	0.448	58%	0.58	S	S	.	*	H	α-helix	trans	-76.8	-31.5	-176	83	0	0	0	0	113.5	N278 Y285	N278-S281 PolarHBondContact O-N 3.36Å; N278-S281 PolarHBondContact O-OG 3.49Å; S281-Y285 VanDerWaalsContact O-CB 3.27Å; S281-Y285 WeakPolarHBondContact O-CB 3.35Å; S281-Y285 PolarHBondContact O-N 3.31Å
282	Y	40.1	Very low	36.1	Very low	71 Å²	71	114.3 Å²	114.3	28%	0.278	57%	0.572	S	S	.	*	H	α-helix	trans	-80.2	-36.6	177.4	-170.5	-104	0	0	0	112	L277 Y285 L286 F435	L277-Y282 HydrophobicContact CD1-CD2 4.34Å; Y282-Y285 WeakPolarHBondContact O-CB 3.02Å; Y282-Y285 PolarHBondContact O-N 2.81Å; Y282-L286 HydrophobicContact CD1-CD1 3.72Å; Y282-L286 HydrophobicContact CD1-CG 4.22Å; Y282-L286 HydrophobicContact CE1-CD1 3.65Å; Y282-L286 HydrophobicContact CE1-CD2 4.36Å; Y282-L286 HydrophobicContact CE1-CG 4.07Å; Y282-L286 WeakPolarHBondContact O-CB 3.29Å; Y282-L286 WeakPolarHBondContact O-CG 3.45Å; Y282-L286 PolarHBondContact O-N 3.17Å; Y282-F435 WeakPolarHBondContact OH-CE2 2.84Å
283	I	40.3	Very low	36.6	Very low	75 Å²	75	110.4 Å²	110.4	39%	0.385	55%	0.55	S	S	.	.	H	α-helix	trans	-60	-52.1	167.3	-76.7	-177.6	0	0	0	108.7	K279 Y285 L286 F287	K279-I283 WeakPolarHBondContact O-CB 3.45Å; K279-I283 WeakPolarHBondContact O-CD1 3.36Å; K279-I283 VanDerWaalsContact O-CG1 3.3Å; K279-I283 WeakPolarHBondContact O-CG1 3.39Å; I283-Y285 PolarHBondContact O-N 2.85Å; I283-L286 WeakPolarHBondContact O-CA 3.37Å; I283-L286 WeakPolarHBondContact O-CB 3.38Å; I283-L286 PolarHBondContact O-N 3.38Å; I283-F287 HydrophobicContact CB-CD2 4.43Å; I283-F287 HydrophobicContact CB-CE2 4.39Å; I283-F287 HydrophobicContact CG2-CD2 3.61Å; I283-F287 HydrophobicContact CG2-CE2 3.63Å; I283-F287 WeakPolarHBondContact O-CD2 3.25Å; I283-F287 PolarHBondContact O-N 3.05Å
284	D	42.8	Very low	37	Very low	100 Å²	100	113.1 Å²	113.1	54%	0.535	56%	0.555	S	S	.	*	H	α-helix	trans	-58.9	-33.7	176.6	-74.1	-21.1	0	0	0	113.4	N280 K288	N280-D284 WeakPolarHBondContact O-CB 3.31Å; N280-D284 PolarHBondContact O-N 2.86Å; D284-K288 PolarHBondContact O-N 2.78Å
285	Y	42.5	Very low	38	Very low	127 Å²	127	107.8 Å²	107.8	50%	0.498	52%	0.523	S	S	.	.	H	α-helix	trans	-67.7	-42.8	172.6	-178.7	-96	0	0	0	112.5	S281 Y282 I283 F287 I332	S281-Y285 VanDerWaalsContact O-CB 3.27Å; S281-Y285 WeakPolarHBondContact O-CB 3.35Å; S281-Y285 PolarHBondContact O-N 3.31Å; Y282-Y285 WeakPolarHBondContact O-CB 3.02Å; Y282-Y285 PolarHBondContact O-N 2.81Å; I283-Y285 PolarHBondContact O-N 2.85Å; Y285-F287 VanDerWaalsContact C-N 3.29Å; Y285-F287 PolarHBondContact O-N 3.29Å; Y285-I332 HydrophobicContact CE1-CD1 3.94Å; Y285-I332 HydrophobicContact CE1-CG1 4.37Å; Y285-I332 WeakPolarHBondContact OH-CD1 3.4Å; Y285-I332 WeakPolarHBondContact OH-CG1 3.26Å
286	L	40.2	Very low	38.3	Very low	33 Å²	33	108.1 Å²	108.1	17%	0.173	53%	0.531	C	S	.	.	H	α-helix	trans	-63.2	-33.5	175.2	-73.1	166.2	0	0	0	112.4	Y282 I283 H330	Y282-L286 HydrophobicContact CD1-CD1 3.72Å; Y282-L286 HydrophobicContact CD1-CG 4.22Å; Y282-L286 HydrophobicContact CE1-CD1 3.65Å; Y282-L286 HydrophobicContact CE1-CD2 4.36Å; Y282-L286 HydrophobicContact CE1-CG 4.07Å; Y282-L286 WeakPolarHBondContact O-CB 3.29Å; Y282-L286 WeakPolarHBondContact O-CG 3.45Å; Y282-L286 PolarHBondContact O-N 3.17Å; I283-L286 WeakPolarHBondContact O-CA 3.37Å; I283-L286 WeakPolarHBondContact O-CB 3.38Å; I283-L286 PolarHBondContact O-N 3.38Å; L286-H330 WeakPolarHBondContact CD2-ND1 3.43Å
287	F	45.5	Very low	39	Very low	65 Å²	65	105.2 Å²	105.2	29%	0.285	52%	0.519	S	S	.	.	H	α-helix	trans	-90.2	-21.2	-172.2	-75.3	-69.3	0	0	0	115.3	I283 Y285 E289 E428	I283-F287 HydrophobicContact CB-CD2 4.43Å; I283-F287 HydrophobicContact CB-CE2 4.39Å; I283-F287 HydrophobicContact CG2-CD2 3.61Å; I283-F287 HydrophobicContact CG2-CE2 3.63Å; I283-F287 WeakPolarHBondContact O-CD2 3.25Å; I283-F287 PolarHBondContact O-N 3.05Å; Y285-F287 VanDerWaalsContact C-N 3.29Å; Y285-F287 PolarHBondContact O-N 3.29Å; F287-E289 VanDerWaalsContact C-N 3.3Å; F287-E289 PolarHBondContact O-N 3.27Å; F287-E428 HydrophobicContact CE1-CG 4.09Å; F287-E428 HydrophobicContact CE2-CG 4.18Å; F287-E428 HydrophobicContact CZ-CB 3.96Å; F287-E428 HydrophobicContact CZ-CG 3.57Å
288	K	43.8	Very low	40	Very low	185 Å²	185	107.1 Å²	107.1	80%	0.804	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-17.4	-172.2	-108.5	177	179.1	173.8	0	116	D284	D284-K288 PolarHBondContact O-N 2.78Å
289	E	41.1	Very low	41.3	Very low	146 Å²	146	103 Å²	103	68%	0.682	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.2	-1.1	-177.6	-67.9	-148.9	155.1	0	0	115.9	F287 K291 K329	F287-E289 VanDerWaalsContact C-N 3.3Å; F287-E289 PolarHBondContact O-N 3.27Å; E289-K291 PolarHBondContact O-N 3.17Å; E289-K329 PolarHBondContact O-NZ 3.22Å
290	N	40	Very low	42.1	Very low	34 Å²	34	101.2 Å²	101.2	18%	0.182	50%	0.495	C	S	.	.			trans	-75.6	82.7	-172.9	-94.3	-5.7	0	0	0	113.8	P292 K329 H330	N290-P292 WeakPolarHBondContact O-CD 3.28Å; N290-K329 PolarHBondContact OD1-NZ 3.15Å; N290-H330 PolarHBondContact OD1-NE2 3.49Å
291	K	37.2	Very low	43.2	Very low	199 Å²	199	97 Å²	97	87%	0.865	47%	0.47	S	S	*	.			trans	-71.2	108.1	160	-72.8	-178.5	-178.9	173.4	0	108.7	E289	E289-K291 PolarHBondContact O-N 3.17Å
292	P	40.2	Very low	43.9	Very low	72 Å²	72	98.4 Å²	98.4	47%	0.468	47%	0.473	S	S	.	.			trans	-62	149.8	171.5	28.1	-33.7	0	0	0	109.5	N290 K294	N290-P292 WeakPolarHBondContact O-CD 3.28Å; P292-K294 PolarHBondContact O-N 2.89Å
293	M	36.2	Very low	44.9	Very low	58 Å²	58	101.6 Å²	101.6	29%	0.286	49%	0.485	S	S	.	.			trans	-56.7	113	173.3	-172	166.9	161.2	0	0	108.5	Y295 K318 N322	M293-Y295 VanDerWaalsContact C-N 3.27Å; M293-Y295 HydrophobicContact CB-CD2 4.24Å; M293-Y295 HydrophobicContact CB-CE2 3.77Å; M293-Y295 HydrophobicContact CE-CD1 3.48Å; M293-Y295 VanDerWaalsContact CE-CD1 3.48Å; M293-Y295 HydrophobicContact CE-CE1 2.95Å; M293-Y295 HydrophobicContact CE-CG 4.46Å; M293-Y295 HydrophobicContact CG-CD1 4.19Å; M293-Y295 HydrophobicContact CG-CD2 4.23Å; M293-Y295 HydrophobicContact CG-CE1 3.85Å; M293-Y295 HydrophobicContact CG-CE2 3.91Å; M293-Y295 HydrophobicContact CG-CG 4.36Å; M293-Y295 WeakPolarHBondContact O-CD2 3.25Å; M293-Y295 PolarHBondContact O-N 3.4Å; M293-Y295 HydrophobicContact SD-CD1 4.18Å; M293-Y295 HydrophobicContact SD-CE1 3.34Å; M293-Y295 WeakPolarHBondContact SD-CE1 3.23Å; M293-Y295 HydrophobicContact SD-CE2 4.09Å; M293-Y295 PolarHBondContact SD-OH 3.28Å; M293-K318 HydrophobicContact CE-CB 3.88Å; M293-K318 HydrophobicContact CE-CD 4.29Å; M293-K318 HydrophobicContact CE-CG 4.49Å; M293-N322 HydrophobicContact SD-CB 4.25Å
294	K	35.1	Very low	45.9	Very low	197 Å²	197	99.9 Å²	99.9	86%	0.857	48%	0.475	S	S	*	.			trans	-71.2	91.3	169.1	-78.4	-172.8	176.7	-175.7	0	106.9	P292 T296	P292-K294 PolarHBondContact O-N 2.89Å; K294-T296 PolarHBondContact O-N 2.95Å
295	Y	44.3	Very low	46.6	Very low	39 Å²	39	99.6 Å²	99.6	15%	0.153	47%	0.473	C	S	.	.			trans	-68.9	117.7	165.9	-63.3	-81.3	0	0	0	108.1	M293 T297 Y363 Q366 N367	M293-Y295 VanDerWaalsContact C-N 3.27Å; M293-Y295 HydrophobicContact CB-CD2 4.24Å; M293-Y295 HydrophobicContact CB-CE2 3.77Å; M293-Y295 HydrophobicContact CE-CD1 3.48Å; M293-Y295 VanDerWaalsContact CE-CD1 3.48Å; M293-Y295 HydrophobicContact CE-CE1 2.95Å; M293-Y295 HydrophobicContact CE-CG 4.46Å; M293-Y295 HydrophobicContact CG-CD1 4.19Å; M293-Y295 HydrophobicContact CG-CD2 4.23Å; M293-Y295 HydrophobicContact CG-CE1 3.85Å; M293-Y295 HydrophobicContact CG-CE2 3.91Å; M293-Y295 HydrophobicContact CG-CG 4.36Å; M293-Y295 WeakPolarHBondContact O-CD2 3.25Å; M293-Y295 PolarHBondContact O-N 3.4Å; M293-Y295 HydrophobicContact SD-CD1 4.18Å; M293-Y295 HydrophobicContact SD-CE1 3.34Å; M293-Y295 WeakPolarHBondContact SD-CE1 3.23Å; M293-Y295 HydrophobicContact SD-CE2 4.09Å; M293-Y295 PolarHBondContact SD-OH 3.28Å; Y295-T297 PolarHBondContact O-N 3.43Å; Y295-Y363 AromaticContact CD1-CD2 3.7Å; Y295-Y363 HydrophobicContact CD1-CD2 3.7Å; Y295-Y363 AromaticContact CD1-CE2 3.38Å; Y295-Y363 HydrophobicContact CD1-CE2 3.38Å; Y295-Y363 AromaticContact CE1-CD2 3.03Å; Y295-Y363 HydrophobicContact CE1-CD2 3.03Å; Y295-Y363 AromaticContact CE1-CE2 3.15Å; Y295-Y363 HydrophobicContact CE1-CE2 3.15Å; Y295-Y363 HydrophobicContact CE1-CG 4.23Å; Y295-Y363 HydrophobicContact CE2-CD2 4.06Å; Y295-Y363 HydrophobicContact CG-CD2 4.43Å; Y295-Y363 HydrophobicContact CG-CE2 4.26Å; Y295-Y363 AromaticContact CZ-CD2 3.26Å; Y295-Y363 AromaticContact CZ-CE2 3.89Å; Y295-Y363 WeakPolarHBondContact OH-CD2 3.09Å; Y295-Q366 HydrophobicContact CD2-CB 4.45Å; Y295-N367 WeakPolarHBondContact CB-OD1 3.49Å; Y295-N367 WeakPolarHBondContact CD2-ND2 3.48Å
296	T	33.8	Very low	47.4	Very low	126 Å²	126	101.4 Å²	101.4	77%	0.773	48%	0.483	S	S	*	.	S	Bend	trans	-70	115.6	175.7	47	0	0	0	0	108	K294	K294-T296 PolarHBondContact O-N 2.95Å
297	T	41.8	Very low	48.3	Very low	113 Å²	113	101.2 Å²	101.2	69%	0.693	48%	0.482	S	S	*	.	S	Bend	trans	77.6	117	176.9	64.1	0	0	0	0	117	Y295	Y295-T297 PolarHBondContact O-N 3.43Å
298	Q	52.3	Low	49	Very low	143 Å²	143	101.7 Å²	101.7	67%	0.668	49%	0.488	S	S	*	.			trans	-56	134	161.1	-76.3	175.7	-47.7	0	0	109.2	D369	Q298-D369 PolarHBondContact NE2-OD1 2.74Å
299	M	58.8	Low	49.4	Very low	48 Å²	48	98 Å²	98	24%	0.236	47%	0.474	C	S	.	.	B	Isolated β-bridge	trans	-124.1	144.4	-179.6	-176.2	-179.5	-63.6	0	0	108.3	F304 L307 N367 F368	M299-F304 HydrophobicContact SD-CB 4.09Å; M299-L307 HydrophobicContact CE-CD1 4.4Å; M299-L307 HydrophobicContact CE-CD2 4.36Å; M299-L307 HydrophobicContact SD-CD1 4.1Å; M299-L307 HydrophobicContact SD-CG 4.4Å; M299-N367 PolarHBondContact N-O 3.07Å; M299-F368 HydrophobicContact CB-CD1 4.47Å; M299-F368 HydrophobicContact CB-CE1 4.04Å; M299-F368 HydrophobicContact CG-CE1 4.1Å; M299-F368 WeakPolarHBondContact O-CA 3.47Å; M299-F368 WeakPolarHBondContact O-CD1 3.35Å; M299-F368 HydrophobicContact SD-CE1 4.32Å
300	K	53.7	Low	50.2	Low	112 Å²	112	92.4 Å²	92.4	49%	0.487	45%	0.446	S	S	.	.			trans	-78	146.7	169.6	-55	-173.8	175.2	-176.3	0	110.3	N302 Y303 F304	K300-N302 PolarHBondContact O-N 2.82Å; K300-Y303 HydrophobicContact CB-CD2 3.57Å; K300-Y303 HydrophobicContact CB-CE2 4.04Å; K300-Y303 HydrophobicContact CD-CD2 4.41Å; K300-Y303 HydrophobicContact CD-CE2 4Å; K300-Y303 HydrophobicContact CG-CD2 3.96Å; K300-Y303 HydrophobicContact CG-CE2 4Å; K300-Y303 WeakPolarHBondContact O-CA 3.1Å; K300-Y303 VanDerWaalsContact O-CB 3.31Å; K300-Y303 WeakPolarHBondContact O-CB 3.36Å; K300-Y303 PolarHBondContact O-N 2.88Å; K300-F304 PolarHBondContact O-N 3.17Å
301	W	58.3	Low	51.1	Low	30 Å²	30	93.8 Å²	93.8	11%	0.114	45%	0.453	C	S	.	.	H	α-helix	trans	-53.7	-40.7	-179.7	-180	-110.9	0	0	0	112.4	Y303 F304 L305 I364 F368 T373 I374	W301-Y303 PolarHBondContact O-N 2.63Å; W301-F304 HydrophobicContact CE3-CD1 4.22Å; W301-F304 HydrophobicContact CH2-CD1 4.19Å; W301-F304 HydrophobicContact CH2-CE1 4.26Å; W301-F304 AromaticContact CZ3-CD1 3.93Å; W301-F304 HydrophobicContact CZ3-CD1 3.93Å; W301-F304 HydrophobicContact CZ3-CE1 4.26Å; W301-F304 WeakPolarHBondContact O-CA 3.29Å; W301-F304 WeakPolarHBondContact O-CB 3.44Å; W301-F304 PolarHBondContact O-N 3.08Å; W301-L305 HydrophobicContact CZ2-CD2 4.36Å; W301-L305 PolarHBondContact O-N 3.1Å; W301-I364 HydrophobicContact CH2-CD1 4.18Å; W301-I364 HydrophobicContact CZ3-CD1 3.82Å; W301-I364 HydrophobicContact CZ3-CG1 4.14Å; W301-F368 VanDerWaalsContact CA-CD1 3.48Å; W301-F368 HydrophobicContact CB-CD1 4.19Å; W301-F368 HydrophobicContact CE3-CD1 4.23Å; W301-F368 AromaticContact CE3-CD2 3.94Å; W301-F368 HydrophobicContact CE3-CD2 3.94Å; W301-F368 HydrophobicContact CE3-CE1 4.26Å; W301-F368 AromaticContact CE3-CE2 3.95Å; W301-F368 HydrophobicContact CE3-CE2 3.95Å; W301-F368 HydrophobicContact CE3-CG 4.12Å; W301-F368 HydrophobicContact CE3-CZ 4.13Å; W301-F368 HydrophobicContact CZ3-CD2 4.33Å; W301-F368 HydrophobicContact CZ3-CE2 4.09Å; W301-F368 HydrophobicContact CZ3-CZ 4.47Å; W301-F368 VanDerWaalsContact N-CD1 3.32Å; W301-T373 VanDerWaalsContact CD1-O 3.28Å; W301-T373 PolarHBondContact NE1-O 2.82Å; W301-I374 HydrophobicContact CH2-CG1 4.33Å; W301-I374 HydrophobicContact CZ2-CG1 4.25Å; W301-I374 HydrophobicContact CZ2-CG2 4.36Å
302	N	54	Low	52.2	Low	94 Å²	94	86.9 Å²	86.9	50%	0.503	42%	0.423	S	S	.	.	H	α-helix	trans	-60.6	-26.5	175.1	-66.7	-6.8	0	0	0	113.7	K300 K306	K300-N302 PolarHBondContact O-N 2.82Å; N302-K306 WeakPolarHBondContact O-CD 3.22Å; N302-K306 VanDerWaalsContact O-CG 3.24Å; N302-K306 WeakPolarHBondContact O-CG 3.19Å; N302-K306 PolarHBondContact O-N 2.9Å
303	Y	61.5	Low	53	Low	137 Å²	137	85.9 Å²	85.9	54%	0.537	41%	0.414	S	S	.	.	H	α-helix	trans	-77.1	-35	171.8	-69.5	-63.6	0	0	0	111.8	K300 W301 K306 L307	K300-Y303 HydrophobicContact CB-CD2 3.57Å; K300-Y303 HydrophobicContact CB-CE2 4.04Å; K300-Y303 HydrophobicContact CD-CD2 4.41Å; K300-Y303 HydrophobicContact CD-CE2 4Å; K300-Y303 HydrophobicContact CG-CD2 3.96Å; K300-Y303 HydrophobicContact CG-CE2 4Å; K300-Y303 WeakPolarHBondContact O-CA 3.1Å; K300-Y303 VanDerWaalsContact O-CB 3.31Å; K300-Y303 WeakPolarHBondContact O-CB 3.36Å; K300-Y303 PolarHBondContact O-N 2.88Å; W301-Y303 PolarHBondContact O-N 2.63Å; Y303-K306 CarbonylContact O-C 3.59Å; Y303-K306 PolarHBondContact O-N 3.15Å; Y303-L307 PolarHBondContact O-N 3.45Å; Y303-L307 VanDerWaalsContact O-N 3.11Å
304	F	60.3	Low	54.2	Low	39 Å²	39	86 Å²	86	17%	0.171	41%	0.414	C	S	.	.	H	α-helix	trans	-63.6	-42.3	172.6	175.6	-93.2	0	0	0	112.2	M299 K300 W301 K306 L307 K312 I315 F368	M299-F304 HydrophobicContact SD-CB 4.09Å; K300-F304 PolarHBondContact O-N 3.17Å; W301-F304 HydrophobicContact CE3-CD1 4.22Å; W301-F304 HydrophobicContact CH2-CD1 4.19Å; W301-F304 HydrophobicContact CH2-CE1 4.26Å; W301-F304 AromaticContact CZ3-CD1 3.93Å; W301-F304 HydrophobicContact CZ3-CD1 3.93Å; W301-F304 HydrophobicContact CZ3-CE1 4.26Å; W301-F304 WeakPolarHBondContact O-CA 3.29Å; W301-F304 WeakPolarHBondContact O-CB 3.44Å; W301-F304 PolarHBondContact O-N 3.08Å; F304-K306 PolarHBondContact O-N 3.34Å; F304-L307 HydrophobicContact CB-CD1 4.4Å; F304-L307 HydrophobicContact CD2-CD1 3.6Å; F304-L307 HydrophobicContact CE2-CD1 4.22Å; F304-L307 HydrophobicContact CG-CD1 4.27Å; F304-L307 WeakPolarHBondContact O-CB 3.37Å; F304-L307 WeakPolarHBondContact O-CG 3.31Å; F304-L307 PolarHBondContact O-N 2.99Å; F304-K312 HydrophobicContact CE2-CG 4.18Å; F304-K312 HydrophobicContact CZ-CB 4.45Å; F304-K312 HydrophobicContact CZ-CD 4.49Å; F304-K312 HydrophobicContact CZ-CG 4Å; F304-I315 HydrophobicContact CD2-CD1 3.88Å; F304-I315 HydrophobicContact CE2-CD1 3.68Å; F304-I315 HydrophobicContact CE2-CG2 4.49Å; F304-F368 HydrophobicContact CB-CE1 3.41Å; F304-F368 VanDerWaalsContact CB-CE1 3.41Å; F304-F368 HydrophobicContact CB-CZ 3.42Å; F304-F368 VanDerWaalsContact CB-CZ 3.42Å; F304-F368 AromaticContact CD2-CZ 3.76Å; F304-F368 HydrophobicContact CD2-CZ 3.76Å; F304-F368 HydrophobicContact CG-CE1 4.18Å; F304-F368 AromaticContact CG-CZ 3.66Å; F304-F368 HydrophobicContact CG-CZ 3.66Å
305	L	58.3	Low	55.5	Low	94 Å²	94	77.6 Å²	77.6	49%	0.492	38%	0.378	S	S	.	.	H	α-helix	trans	-60.8	-32.6	174.5	-67.5	176.8	0	0	0	112.5	W301 L307	W301-L305 HydrophobicContact CZ2-CD2 4.36Å; W301-L305 PolarHBondContact O-N 3.1Å; L305-L307 VanDerWaalsContact C-N 3.32Å
306	K	59.2	Low	56.4	Low	165 Å²	165	76.8 Å²	76.8	72%	0.717	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-8.7	175.6	-71.6	174.6	-177.7	-174.4	0	114	N302 Y303 F304	N302-K306 WeakPolarHBondContact O-CD 3.22Å; N302-K306 VanDerWaalsContact O-CG 3.24Å; N302-K306 WeakPolarHBondContact O-CG 3.19Å; N302-K306 PolarHBondContact O-N 2.9Å; Y303-K306 CarbonylContact O-C 3.59Å; Y303-K306 PolarHBondContact O-N 3.15Å; F304-K306 PolarHBondContact O-N 3.34Å
307	L	59.1	Low	57.7	Low	30 Å²	30	71.1 Å²	71.1	16%	0.157	35%	0.346	C	S	.	.	S	Bend	trans	-62.1	141.2	172.6	-69.2	176.1	0	0	0	109	M299 Y303 F304 L305 N311 K312 I315	M299-L307 HydrophobicContact CE-CD1 4.4Å; M299-L307 HydrophobicContact CE-CD2 4.36Å; M299-L307 HydrophobicContact SD-CD1 4.1Å; M299-L307 HydrophobicContact SD-CG 4.4Å; Y303-L307 PolarHBondContact O-N 3.45Å; Y303-L307 VanDerWaalsContact O-N 3.11Å; F304-L307 HydrophobicContact CB-CD1 4.4Å; F304-L307 HydrophobicContact CD2-CD1 3.6Å; F304-L307 HydrophobicContact CE2-CD1 4.22Å; F304-L307 HydrophobicContact CG-CD1 4.27Å; F304-L307 WeakPolarHBondContact O-CB 3.37Å; F304-L307 WeakPolarHBondContact O-CG 3.31Å; F304-L307 PolarHBondContact O-N 2.99Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L307-N311 HydrophobicContact CB-CB 3.97Å; L307-N311 HydrophobicContact CD1-CB 4.06Å; L307-N311 HydrophobicContact CD2-CB 3.86Å; L307-N311 HydrophobicContact CG-CB 4.17Å; L307-K312 HydrophobicContact CB-CG 4.13Å; L307-K312 WeakPolarHBondContact O-CE 3.29Å; L307-I315 HydrophobicContact CD1-CD1 3.69Å
308	N	59.8	Low	58.8	Low	75 Å²	75	69.3 Å²	69.3	40%	0.401	33%	0.329	S	S	.	.			trans	-60.4	158	166	62.1	16.4	0	0	0	109.5	W310 N311 K312	N308-W310 PolarHBondContact O-N 2.98Å; N308-W310 WeakPolarHBondContact OD1-CB 3.31Å; N308-W310 PolarHBondContact OD1-N 3.17Å; N308-N311 PolarHBondContact O-N 3.35Å; N308-N311 VanDerWaalsContact O-N 3.15Å; N308-N311 VanDerWaalsContact OD1-CB 3.28Å; N308-N311 WeakPolarHBondContact OD1-CB 3.45Å; N308-N311 PolarHBondContact OD1-N 3.4Å; N308-N311 PolarHBondContact OD1-ND2 3.43Å; N308-N311 PolarHBondContact OD1-OD1 2.93Å; N308-K312 PolarHBondContact O-N 3.47Å
309	E	52.6	Low	59.4	Low	108 Å²	108	62.7 Å²	62.7	51%	0.505	30%	0.298	S	S	.	.	H	α-helix	trans	-54.4	-26.9	177.8	-64.2	-56.3	117.5	0	0	112.2	K312 I313	E309-K312 PolarHBondContact O-N 2.81Å; E309-K312 IonicContact OE1-NZ 3.97Å; E309-K312 PolarHBondContact OE1-NZ 2.56Å; E309-I313 WeakPolarHBondContact O-CD1 3.2Å; E309-I313 WeakPolarHBondContact O-CG1 3.14Å; E309-I313 PolarHBondContact O-N 3.1Å
310	W	58.1	Low	59.7	Low	27 Å²	27	61.8 Å²	61.8	10%	0.102	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-55.5	175.7	-73.4	107.4	0	0	0	114.2	N308 K312 I313 E314 F472 N478 K481 Q482 I485	N308-W310 PolarHBondContact O-N 2.98Å; N308-W310 WeakPolarHBondContact OD1-CB 3.31Å; N308-W310 PolarHBondContact OD1-N 3.17Å; W310-K312 PolarHBondContact O-N 2.92Å; W310-I313 HydrophobicContact CH2-CD1 4.48Å; W310-I313 HydrophobicContact CZ3-CD1 4.22Å; W310-I313 PolarHBondContact O-N 2.9Å; W310-I313 VanDerWaalsContact O-N 3.15Å; W310-E314 PolarHBondContact O-N 2.82Å; W310-F472 HydrophobicContact CZ3-CE1 4.47Å; W310-F472 HydrophobicContact CZ3-CZ 4.2Å; W310-N478 VanDerWaalsContact CD1-CG 3.49Å; W310-N478 WeakPolarHBondContact CZ2-O 3.21Å; W310-N478 VanDerWaalsContact NE1-CB 3.29Å; W310-N478 VanDerWaalsContact NE1-CG 3.34Å; W310-K481 HydrophobicContact CD2-CB 4.28Å; W310-K481 HydrophobicContact CD2-CD 4.4Å; W310-K481 HydrophobicContact CE3-CB 3.92Å; W310-K481 HydrophobicContact CE3-CD 4.05Å; W310-K481 HydrophobicContact CH2-CB 3.28Å; W310-K481 HydrophobicContact CZ2-CB 3.59Å; W310-K481 HydrophobicContact CZ3-CB 3.42Å; W310-K481 VanDerWaalsContact CZ3-CB 3.42Å; W310-K481 HydrophobicContact CZ3-CD 4.31Å; W310-K481 HydrophobicContact CZ3-CG 4.47Å; W310-Q482 HydrophobicContact CH2-CB 3.71Å; W310-Q482 HydrophobicContact CH2-CG 3.48Å; W310-Q482 VanDerWaalsContact CH2-CG 3.48Å; W310-Q482 HydrophobicContact CZ2-CB 3.59Å; W310-Q482 HydrophobicContact CZ2-CG 3.27Å; W310-Q482 VanDerWaalsContact CZ2-N 3.28Å; W310-I485 HydrophobicContact CH2-CD1 4.28Å; W310-I485 HydrophobicContact CZ3-CD1 3.64Å
311	N	59.2	Low	60.2	Low	63 Å²	63	57.6 Å²	57.6	34%	0.337	28%	0.276	S	S	.	.	H	α-helix	trans	-65.9	-32.1	-177.3	-65.2	-11.5	0	0	0	110	L307 N308 I315	L307-N311 HydrophobicContact CB-CB 3.97Å; L307-N311 HydrophobicContact CD1-CB 4.06Å; L307-N311 HydrophobicContact CD2-CB 3.86Å; L307-N311 HydrophobicContact CG-CB 4.17Å; N308-N311 PolarHBondContact O-N 3.35Å; N308-N311 VanDerWaalsContact O-N 3.15Å; N308-N311 VanDerWaalsContact OD1-CB 3.28Å; N308-N311 WeakPolarHBondContact OD1-CB 3.45Å; N308-N311 PolarHBondContact OD1-N 3.4Å; N308-N311 PolarHBondContact OD1-ND2 3.43Å; N308-N311 PolarHBondContact OD1-OD1 2.93Å; N311-I315 WeakPolarHBondContact O-CD1 3.36Å; N311-I315 VanDerWaalsContact O-CG1 3.22Å; N311-I315 WeakPolarHBondContact O-CG1 3.47Å; N311-I315 PolarHBondContact O-N 3.3Å; N311-I315 VanDerWaalsContact O-N 3.08Å
312	K	59.6	Low	60.6	Low	54 Å²	54	57.7 Å²	57.7	24%	0.235	28%	0.279	C	S	.	.	H	α-helix	trans	-64.2	-45.6	172	-62.7	179.2	-171.5	164.5	0	112.1	F304 L307 N308 E309 W310 I315 G316	F304-K312 HydrophobicContact CE2-CG 4.18Å; F304-K312 HydrophobicContact CZ-CB 4.45Å; F304-K312 HydrophobicContact CZ-CD 4.49Å; F304-K312 HydrophobicContact CZ-CG 4Å; L307-K312 HydrophobicContact CB-CG 4.13Å; L307-K312 WeakPolarHBondContact O-CE 3.29Å; N308-K312 PolarHBondContact O-N 3.47Å; E309-K312 PolarHBondContact O-N 2.81Å; E309-K312 IonicContact OE1-NZ 3.97Å; E309-K312 PolarHBondContact OE1-NZ 2.56Å; W310-K312 PolarHBondContact O-N 2.92Å; K312-I315 WeakPolarHBondContact O-CB 3.42Å; K312-I315 PolarHBondContact O-N 2.97Å; K312-G316 PolarHBondContact O-N 3.31Å
313	I	57.4	Low	61.4	Low	52 Å²	52	53.7 Å²	53.7	27%	0.267	26%	0.257	S	S	.	.	H	α-helix	trans	-64.3	-41.9	177.4	-67.2	162.3	0	0	0	111.1	E309 W310 I315 G316 I317 I485	E309-I313 WeakPolarHBondContact O-CD1 3.2Å; E309-I313 WeakPolarHBondContact O-CG1 3.14Å; E309-I313 PolarHBondContact O-N 3.1Å; W310-I313 HydrophobicContact CH2-CD1 4.48Å; W310-I313 HydrophobicContact CZ3-CD1 4.22Å; W310-I313 PolarHBondContact O-N 2.9Å; W310-I313 VanDerWaalsContact O-N 3.15Å; I313-I315 VanDerWaalsContact C-N 3.32Å; I313-I315 PolarHBondContact O-N 3.38Å; I313-G316 PolarHBondContact O-N 3.13Å; I313-G316 VanDerWaalsContact O-N 3.14Å; I313-I317 HydrophobicContact CG2-CD1 4.06Å; I313-I317 HydrophobicContact CG2-CG1 4.43Å; I313-I317 WeakPolarHBondContact O-CG1 3.14Å; I313-I317 PolarHBondContact O-N 2.83Å; I313-I485 HydrophobicContact CG2-CD1 3.46Å; I313-I485 VanDerWaalsContact CG2-CD1 3.46Å; I313-I485 HydrophobicContact CG2-CG2 4.42Å
314	E	60.1	Low	61.6	Low	60 Å²	60	47.9 Å²	47.9	28%	0.28	24%	0.235	S	C	.	.	H	α-helix	trans	-58.2	-44.7	176.3	-171.7	-175.9	153.2	0	0	111.6	W310 G316 I317 K318 Y469	W310-E314 PolarHBondContact O-N 2.82Å; E314-G316 VanDerWaalsContact C-N 3.35Å; E314-G316 PolarHBondContact O-N 3.01Å; E314-I317 PolarHBondContact O-N 3.1Å; E314-K318 WeakPolarHBondContact O-CG 3.02Å; E314-K318 PolarHBondContact O-N 2.77Å; E314-K318 VanDerWaalsContact OE1-CE 3.28Å; E314-K318 WeakPolarHBondContact OE1-CE 3.33Å; E314-K318 IonicContact OE1-NZ 2.8Å; E314-K318 PolarHBondContact OE1-NZ 3.12Å; E314-Y469 HydrophobicContact CG-CE2 3.98Å; E314-Y469 VanDerWaalsContact CG-OH 3.26Å; E314-Y469 WeakPolarHBondContact CG-OH 3.26Å; E314-Y469 PolarHBondContact OE1-OH 3.44Å; E314-Y469 VanDerWaalsContact OE1-OH 3.05Å
315	I	63	Low	61.9	Low	20 Å²	20	50.5 Å²	50.5	10%	0.103	25%	0.248	C	C	.	.	H	α-helix	trans	-58.4	-47	173.8	-71.7	164	0	0	0	110.6	F304 L307 N311 K312 I313 I317 K318 I319 Y363	F304-I315 HydrophobicContact CD2-CD1 3.88Å; F304-I315 HydrophobicContact CE2-CD1 3.68Å; F304-I315 HydrophobicContact CE2-CG2 4.49Å; L307-I315 HydrophobicContact CD1-CD1 3.69Å; N311-I315 WeakPolarHBondContact O-CD1 3.36Å; N311-I315 VanDerWaalsContact O-CG1 3.22Å; N311-I315 WeakPolarHBondContact O-CG1 3.47Å; N311-I315 PolarHBondContact O-N 3.3Å; N311-I315 VanDerWaalsContact O-N 3.08Å; K312-I315 WeakPolarHBondContact O-CB 3.42Å; K312-I315 PolarHBondContact O-N 2.97Å; I313-I315 VanDerWaalsContact C-N 3.32Å; I313-I315 PolarHBondContact O-N 3.38Å; I315-I317 PolarHBondContact O-N 3.23Å; I315-K318 PolarHBondContact O-N 3.03Å; I315-I319 HydrophobicContact CG2-CD1 3.72Å; I315-I319 HydrophobicContact CG2-CG1 4.46Å; I315-I319 VanDerWaalsContact O-CG1 3.3Å; I315-I319 WeakPolarHBondContact O-CG1 3.35Å; I315-I319 PolarHBondContact O-N 2.85Å; I315-Y363 HydrophobicContact CB-CE2 4.49Å; I315-Y363 WeakPolarHBondContact CD1-OH 3.15Å; I315-Y363 HydrophobicContact CG1-CE2 4.37Å; I315-Y363 WeakPolarHBondContact CG1-OH 3.39Å; I315-Y363 HydrophobicContact CG2-CD1 4.25Å; I315-Y363 HydrophobicContact CG2-CD2 3.96Å; I315-Y363 HydrophobicContact CG2-CE1 3.82Å; I315-Y363 HydrophobicContact CG2-CE2 3.52Å; I315-Y363 HydrophobicContact CG2-CG 4.37Å; I315-Y363 VanDerWaalsContact CG2-CZ 3.47Å
316	G	62.8	Low	62.5	Low	22 Å²	22	46.6 Å²	46.6	23%	0.227	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-41.7	177.2	0	0	0	0	0	113.7	K312 I313 E314 I319 M320	K312-G316 PolarHBondContact O-N 3.31Å; I313-G316 PolarHBondContact O-N 3.13Å; I313-G316 VanDerWaalsContact O-N 3.14Å; E314-G316 VanDerWaalsContact C-N 3.35Å; E314-G316 PolarHBondContact O-N 3.01Å; G316-I319 PolarHBondContact O-N 2.88Å; G316-M320 PolarHBondContact O-N 3.06Å
317	I	61.1	Low	62.8	Low	8 Å²	8	39.1 Å²	39.1	4%	0.041	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-45	176.2	-67.4	169.7	0	0	0	110.5	I313 E314 I315 I319 M320 M321 I465 Y469 I485 F489	I313-I317 HydrophobicContact CG2-CD1 4.06Å; I313-I317 HydrophobicContact CG2-CG1 4.43Å; I313-I317 WeakPolarHBondContact O-CG1 3.14Å; I313-I317 PolarHBondContact O-N 2.83Å; E314-I317 PolarHBondContact O-N 3.1Å; I315-I317 PolarHBondContact O-N 3.23Å; I317-I319 VanDerWaalsContact C-N 3.34Å; I317-I319 PolarHBondContact O-N 3.34Å; I317-M320 PolarHBondContact O-N 2.84Å; I317-M321 HydrophobicContact CG2-CG 4.39Å; I317-M321 HydrophobicContact CG2-SD 4.08Å; I317-M321 WeakPolarHBondContact O-CG 2.98Å; I317-M321 PolarHBondContact O-N 3.49Å; I317-I465 HydrophobicContact CG2-CG2 4.21Å; I317-Y469 HydrophobicContact CD1-CD2 4.21Å; I317-Y469 HydrophobicContact CG2-CD2 3.81Å; I317-Y469 HydrophobicContact CG2-CE2 4.29Å; I317-Y469 HydrophobicContact CG2-CG 4.46Å; I317-I485 HydrophobicContact CD1-CD1 4.43Å; I317-F489 HydrophobicContact CG1-CZ 4.46Å
318	K	64.7	Low	62.9	Low	74 Å²	74	39.2 Å²	39.2	32%	0.322	20%	0.195	S	C	.	.	H	α-helix	trans	-61.2	-41.8	178	-70.7	174.5	-177.6	168.7	0	112.1	M293 E314 I315 M321 N322 Y469	M293-K318 HydrophobicContact CE-CB 3.88Å; M293-K318 HydrophobicContact CE-CD 4.29Å; M293-K318 HydrophobicContact CE-CG 4.49Å; E314-K318 WeakPolarHBondContact O-CG 3.02Å; E314-K318 PolarHBondContact O-N 2.77Å; E314-K318 VanDerWaalsContact OE1-CE 3.28Å; E314-K318 WeakPolarHBondContact OE1-CE 3.33Å; E314-K318 IonicContact OE1-NZ 2.8Å; E314-K318 PolarHBondContact OE1-NZ 3.12Å; I315-K318 PolarHBondContact O-N 3.03Å; K318-M321 PolarHBondContact O-N 2.68Å; K318-N322 PolarHBondContact O-N 3.05Å; K318-Y469 WeakPolarHBondContact CE-OH 3.24Å
319	I	65.9	Low	63	Low	5 Å²	5	39.4 Å²	39.4	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-60.1	-46.3	174.9	-70.7	166.3	0	0	0	110.7	I315 G316 I317 M321 N322 M323 F356 H359 V360 Y363	I315-I319 HydrophobicContact CG2-CD1 3.72Å; I315-I319 HydrophobicContact CG2-CG1 4.46Å; I315-I319 VanDerWaalsContact O-CG1 3.3Å; I315-I319 WeakPolarHBondContact O-CG1 3.35Å; I315-I319 PolarHBondContact O-N 2.85Å; G316-I319 PolarHBondContact O-N 2.88Å; I317-I319 VanDerWaalsContact C-N 3.34Å; I317-I319 PolarHBondContact O-N 3.34Å; I319-M321 PolarHBondContact O-N 3.5Å; I319-N322 PolarHBondContact O-N 3.16Å; I319-M323 PolarHBondContact O-N 2.67Å; I319-F356 HydrophobicContact CB-CE2 4.36Å; I319-F356 HydrophobicContact CG2-CD2 4Å; I319-F356 HydrophobicContact CG2-CE2 3.83Å; I319-H359 HydrophobicContact CG2-CB 3.68Å; I319-V360 HydrophobicContact CD1-CG2 4.01Å; I319-V360 HydrophobicContact CG2-CG2 3.95Å; I319-Y363 HydrophobicContact CD1-CD1 4.48Å; I319-Y363 HydrophobicContact CD1-CD2 3.84Å; I319-Y363 HydrophobicContact CD1-CG 3.79Å; I319-Y363 HydrophobicContact CG1-CD2 3.85Å; I319-Y363 HydrophobicContact CG1-CG 4.19Å
320	M	64.5	Low	63.3	Low	29 Å²	29	35 Å²	35	14%	0.143	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-41.5	178	-175.9	-179.3	58.4	0	0	112.2	G316 I317 N322 M323 I324 F356 I465 F489	G316-M320 PolarHBondContact O-N 3.06Å; I317-M320 PolarHBondContact O-N 2.84Å; M320-N322 VanDerWaalsContact C-N 3.34Å; M320-N322 PolarHBondContact O-N 3.2Å; M320-M323 HydrophobicContact CG-CE 4.32Å; M320-M323 WeakPolarHBondContact O-CB 3.33Å; M320-M323 PolarHBondContact O-N 3.28Å; M320-I324 HydrophobicContact CG-CD1 4.27Å; M320-I324 WeakPolarHBondContact O-CG1 3.4Å; M320-I324 PolarHBondContact O-N 3.49Å; M320-F356 HydrophobicContact CB-CE2 4.45Å; M320-I465 HydrophobicContact CE-CD1 3.59Å; M320-I465 HydrophobicContact CE-CG1 4.1Å; M320-I465 HydrophobicContact CE-CG2 3.82Å; M320-I465 HydrophobicContact SD-CD1 4.17Å; M320-F489 HydrophobicContact CE-CE1 3.87Å; M320-F489 HydrophobicContact CE-CZ 3.84Å; M320-F489 HydrophobicContact SD-CE1 4.11Å
321	M	64.1	Low	63.1	Low	23 Å²	23	34.4 Å²	34.4	11%	0.113	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-42.2	175.7	-71.5	176.4	69.5	0	0	111.8	I317 K318 I319 I324 Q325 Y462 I465 H466	I317-M321 HydrophobicContact CG2-CG 4.39Å; I317-M321 HydrophobicContact CG2-SD 4.08Å; I317-M321 WeakPolarHBondContact O-CG 2.98Å; I317-M321 PolarHBondContact O-N 3.49Å; K318-M321 PolarHBondContact O-N 2.68Å; I319-M321 PolarHBondContact O-N 3.5Å; M321-I324 PolarHBondContact O-N 3.05Å; M321-Q325 WeakPolarHBondContact O-CG 3.24Å; M321-Q325 PolarHBondContact O-N 3.21Å; M321-Y462 HydrophobicContact CB-CE2 4.25Å; M321-Y462 HydrophobicContact CE-CE2 4.26Å; M321-I465 HydrophobicContact CG-CG2 4.15Å; M321-H466 HydrophobicContact CE-CB 4.36Å; M321-H466 WeakPolarHBondContact CE-CD2 3.29Å
322	N	67.9	Low	62.3	Low	33 Å²	33	36 Å²	36	18%	0.176	18%	0.177	C	C	.	.	H	α-helix	trans	-63.6	-43.9	176.3	-173.5	4.4	0	0	0	111.6	M293 K318 I319 M320 I324 Q325 W326	M293-N322 HydrophobicContact SD-CB 4.25Å; K318-N322 PolarHBondContact O-N 3.05Å; I319-N322 PolarHBondContact O-N 3.16Å; M320-N322 VanDerWaalsContact C-N 3.34Å; M320-N322 PolarHBondContact O-N 3.2Å; N322-I324 VanDerWaalsContact C-N 3.3Å; N322-I324 PolarHBondContact O-N 3.24Å; N322-Q325 PolarHBondContact O-N 2.9Å; N322-W326 WeakPolarHBondContact O-CB 3.36Å; N322-W326 PolarHBondContact O-N 2.82Å
323	M	71	Confident	61.7	Low	10 Å²	10	37.6 Å²	37.6	5%	0.049	18%	0.184	C	C	.	.	H	α-helix	trans	-55.8	-45.2	173.2	-179.9	-171.8	71.4	0	0	111.9	I319 M320 W326 I327 L355 F356 H359	I319-M323 PolarHBondContact O-N 2.67Å; M320-M323 HydrophobicContact CG-CE 4.32Å; M320-M323 WeakPolarHBondContact O-CB 3.33Å; M320-M323 PolarHBondContact O-N 3.28Å; M323-W326 WeakPolarHBondContact O-CB 3.32Å; M323-W326 PolarHBondContact O-N 3.05Å; M323-I327 HydrophobicContact CG-CD1 4.27Å; M323-I327 VanDerWaalsContact O-CG1 3.32Å; M323-I327 WeakPolarHBondContact O-CG1 3.36Å; M323-I327 PolarHBondContact O-N 3.33Å; M323-L355 HydrophobicContact CG-CB 4.11Å; M323-L355 HydrophobicContact SD-CB 3.68Å; M323-F356 HydrophobicContact SD-CB 4.05Å; M323-F356 PolarHBondContact SD-N 3.32Å; M323-F356 VanDerWaalsContact SD-N 3.44Å; M323-H359 WeakPolarHBondContact CA-NE2 3.31Å; M323-H359 VanDerWaalsContact CB-CD2 3.49Å; M323-H359 WeakPolarHBondContact CB-CD2 3.38Å
324	I	65.6	Low	60.5	Low	14 Å²	14	41 Å²	41	7%	0.072	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-44.3	178.6	-64.3	164.2	0	0	0	110.9	M320 M321 N322 W326 I327 L328 I458 Y462 I465	M320-I324 HydrophobicContact CG-CD1 4.27Å; M320-I324 WeakPolarHBondContact O-CG1 3.4Å; M320-I324 PolarHBondContact O-N 3.49Å; M321-I324 PolarHBondContact O-N 3.05Å; N322-I324 VanDerWaalsContact C-N 3.3Å; N322-I324 PolarHBondContact O-N 3.24Å; I324-W326 VanDerWaalsContact C-N 3.3Å; I324-W326 PolarHBondContact O-N 3.44Å; I324-I327 PolarHBondContact O-N 2.67Å; I324-L328 HydrophobicContact CG2-CD1 4.03Å; I324-L328 HydrophobicContact CG2-CG 4.26Å; I324-L328 VanDerWaalsContact O-CG 3.31Å; I324-L328 WeakPolarHBondContact O-CG 3.04Å; I324-L328 PolarHBondContact O-N 3.43Å; I324-I458 HydrophobicContact CG2-CG2 3.6Å; I324-Y462 HydrophobicContact CB-CD2 3.97Å; I324-Y462 HydrophobicContact CD1-CD2 4.43Å; I324-Y462 HydrophobicContact CG2-CD2 3.66Å; I324-Y462 HydrophobicContact CG2-CG 4.09Å; I324-I465 HydrophobicContact CD1-CD1 3.95Å
325	Q	66.5	Low	58.9	Low	94 Å²	94	45.8 Å²	45.8	44%	0.439	23%	0.231	S	C	.	.	H	α-helix	trans	-59.2	-41.1	175	-73.8	179.4	-10.3	0	0	112.3	M321 N322 L328 K329 Y462	M321-Q325 WeakPolarHBondContact O-CG 3.24Å; M321-Q325 PolarHBondContact O-N 3.21Å; N322-Q325 PolarHBondContact O-N 2.9Å; Q325-L328 PolarHBondContact O-N 3.17Å; Q325-K329 VanDerWaalsContact O-CB 3.29Å; Q325-K329 WeakPolarHBondContact O-CB 3.28Å; Q325-K329 PolarHBondContact O-N 2.77Å; Q325-Y462 HydrophobicContact CG-CE2 3.78Å; Q325-Y462 PolarHBondContact NE2-OH 2.73Å
326	W	71.4	Confident	57.4	Low	13 Å²	13	51.1 Å²	51.1	5%	0.049	26%	0.257	C	S	.	.	H	α-helix	trans	-59	-47.9	174.8	-179.5	92.1	0	0	0	110.8	N322 M323 I324 L328 K329 H330 F331 L355 E431 K434 F438	N322-W326 WeakPolarHBondContact O-CB 3.36Å; N322-W326 PolarHBondContact O-N 2.82Å; M323-W326 WeakPolarHBondContact O-CB 3.32Å; M323-W326 PolarHBondContact O-N 3.05Å; I324-W326 VanDerWaalsContact C-N 3.3Å; I324-W326 PolarHBondContact O-N 3.44Å; W326-L328 VanDerWaalsContact C-N 3.34Å; W326-L328 PolarHBondContact O-N 2.64Å; W326-K329 PolarHBondContact O-N 3.24Å; W326-H330 AromaticContact CD1-CD2 3.27Å; W326-H330 AromaticContact CD1-NE2 3.41Å; W326-H330 AromaticContact CD2-CD2 3.82Å; W326-H330 AromaticContact CE2-CD2 3.52Å; W326-H330 AromaticContact CG-CD2 3.65Å; W326-H330 AromaticContact NE1-CD2 3.2Å; W326-H330 PolarHBondContact NE1-CD2 3.08Å; W326-H330 AromaticContact NE1-NE2 3.27Å; W326-H330 PolarHBondContact NE1-NE2 3.5Å; W326-H330 WeakPolarHBondContact O-CB 3.44Å; W326-H330 PolarHBondContact O-CD2 3.35Å; W326-H330 VanDerWaalsContact O-CD2 3.24Å; W326-H330 PolarHBondContact O-N 2.84Å; W326-F331 HydrophobicContact CH2-CE2 4.28Å; W326-F331 HydrophobicContact CZ3-CE2 4.07Å; W326-L355 HydrophobicContact CZ3-CD2 4.24Å; W326-E431 PolarHBondContact NE1-OE2 3.36Å; W326-K434 HydrophobicContact CD2-CD 4.41Å; W326-K434 HydrophobicContact CH2-CB 3.66Å; W326-K434 HydrophobicContact CZ2-CB 3.47Å; W326-K434 VanDerWaalsContact CZ2-CB 3.47Å; W326-K434 HydrophobicContact CZ2-CD 4.01Å; W326-K434 HydrophobicContact CZ2-CG 4.42Å; W326-K434 HydrophobicContact CZ3-CB 4.44Å; W326-F438 HydrophobicContact CZ3-CB 4.42Å; W326-F438 HydrophobicContact CZ3-CD2 4.47Å
327	I	64.8	Low	55.8	Low	8 Å²	8	57.7 Å²	57.7	4%	0.041	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-46.1	175.4	-64.5	165.1	0	0	0	110.8	M323 I324 K329 F331 F438 I458	M323-I327 HydrophobicContact CG-CD1 4.27Å; M323-I327 VanDerWaalsContact O-CG1 3.32Å; M323-I327 WeakPolarHBondContact O-CG1 3.36Å; M323-I327 PolarHBondContact O-N 3.33Å; I324-I327 PolarHBondContact O-N 2.67Å; I327-K329 PolarHBondContact O-N 3.16Å; I327-F331 HydrophobicContact CG2-CD2 4.4Å; I327-F331 VanDerWaalsContact O-CD2 3.3Å; I327-F331 WeakPolarHBondContact O-CD2 3.36Å; I327-F438 HydrophobicContact CB-CE2 4.42Å; I327-F438 HydrophobicContact CD1-CD2 4.38Å; I327-F438 HydrophobicContact CD1-CE2 3.91Å; I327-F438 HydrophobicContact CG1-CD2 4.13Å; I327-F438 HydrophobicContact CG1-CE2 3.78Å; I327-F438 HydrophobicContact CG2-CE2 3.77Å; I327-F438 HydrophobicContact CG2-CZ 3.86Å; I327-I458 HydrophobicContact CG2-CD1 4.16Å
328	L	61.6	Low	54.4	Low	31 Å²	31	64.9 Å²	64.9	16%	0.162	32%	0.324	C	S	.	.	H	α-helix	trans	-65.7	-28.2	-178.1	-69	177.8	0	0	0	113.3	I324 Q325 W326 F333 I458 H459	I324-L328 HydrophobicContact CG2-CD1 4.03Å; I324-L328 HydrophobicContact CG2-CG 4.26Å; I324-L328 VanDerWaalsContact O-CG 3.31Å; I324-L328 WeakPolarHBondContact O-CG 3.04Å; I324-L328 PolarHBondContact O-N 3.43Å; Q325-L328 PolarHBondContact O-N 3.17Å; W326-L328 VanDerWaalsContact C-N 3.34Å; W326-L328 PolarHBondContact O-N 2.64Å; L328-F333 HydrophobicContact CD2-CZ 4.12Å; L328-F333 WeakPolarHBondContact O-CE2 3.48Å; L328-I458 HydrophobicContact CD2-CG2 3.85Å; L328-I458 HydrophobicContact CG-CG2 4.25Å; L328-H459 VanDerWaalsContact CD2-NE2 3.31Å; L328-H459 WeakPolarHBondContact CD2-NE2 3.35Å
329	K	61.8	Low	53	Low	79 Å²	79	69.6 Å²	69.6	34%	0.343	35%	0.348	S	S	.	.	H	α-helix	trans	-87.8	-38.8	-176.9	-174.1	-175.3	179.4	-169.1	0	113.6	E289 N290 Q325 W326 I327	E289-K329 PolarHBondContact O-NZ 3.22Å; N290-K329 PolarHBondContact OD1-NZ 3.15Å; Q325-K329 VanDerWaalsContact O-CB 3.29Å; Q325-K329 WeakPolarHBondContact O-CB 3.28Å; Q325-K329 PolarHBondContact O-N 2.77Å; W326-K329 PolarHBondContact O-N 3.24Å; I327-K329 PolarHBondContact O-N 3.16Å
330	H	57.9	Low	51.4	Low	16 Å²	16	75.6 Å²	75.6	7%	0.074	38%	0.38	C	S	.	.	H	α-helix	trans	-84	-13.9	-172.4	-79.1	-78.8	0	0	0	114.1	L286 N290 W326 E431	L286-H330 WeakPolarHBondContact CD2-ND1 3.43Å; N290-H330 PolarHBondContact OD1-NE2 3.49Å; W326-H330 AromaticContact CD1-CD2 3.27Å; W326-H330 AromaticContact CD1-NE2 3.41Å; W326-H330 AromaticContact CD2-CD2 3.82Å; W326-H330 AromaticContact CE2-CD2 3.52Å; W326-H330 AromaticContact CG-CD2 3.65Å; W326-H330 AromaticContact NE1-CD2 3.2Å; W326-H330 PolarHBondContact NE1-CD2 3.08Å; W326-H330 AromaticContact NE1-NE2 3.27Å; W326-H330 PolarHBondContact NE1-NE2 3.5Å; W326-H330 WeakPolarHBondContact O-CB 3.44Å; W326-H330 PolarHBondContact O-CD2 3.35Å; W326-H330 VanDerWaalsContact O-CD2 3.24Å; W326-H330 PolarHBondContact O-N 2.84Å; H330-E431 IonicContact CE1-OE2 2.95Å; H330-E431 IonicContact NE2-OE2 2.92Å
331	F	54.4	Low	49.9	Very low	14 Å²	14	80.9 Å²	80.9	6%	0.061	41%	0.409	C	S	.	.	S	Bend	trans	-109.2	106.6	-179.6	-68.3	-89.3	0	0	0	109.8	W326 I327 F333 F435 F438 T439 P448 I450	W326-F331 HydrophobicContact CH2-CE2 4.28Å; W326-F331 HydrophobicContact CZ3-CE2 4.07Å; I327-F331 HydrophobicContact CG2-CD2 4.4Å; I327-F331 VanDerWaalsContact O-CD2 3.3Å; I327-F331 WeakPolarHBondContact O-CD2 3.36Å; F331-F333 HydrophobicContact CB-CE1 4.45Å; F331-F333 PolarHBondContact O-N 3.43Å; F331-F435 HydrophobicContact CE1-CE2 4.29Å; F331-F435 HydrophobicContact CZ-CD2 4.22Å; F331-F435 HydrophobicContact CZ-CE2 4.29Å; F331-F438 HydrophobicContact CD1-CD1 4.45Å; F331-F438 HydrophobicContact CD1-CE1 4Å; F331-F438 HydrophobicContact CD2-CD1 4.45Å; F331-F438 HydrophobicContact CD2-CE1 4.07Å; F331-F438 HydrophobicContact CD2-CZ 4.38Å; F331-F438 AromaticContact CE1-CD1 3.53Å; F331-F438 HydrophobicContact CE1-CD1 3.53Å; F331-F438 AromaticContact CE1-CE1 3.5Å; F331-F438 HydrophobicContact CE1-CE1 3.5Å; F331-F438 VanDerWaalsContact CE1-CE1 3.5Å; F331-F438 AromaticContact CE2-CD1 3.53Å; F331-F438 HydrophobicContact CE2-CD1 3.53Å; F331-F438 HydrophobicContact CE2-CD2 4.42Å; F331-F438 AromaticContact CE2-CE1 3.58Å; F331-F438 HydrophobicContact CE2-CE1 3.58Å; F331-F438 AromaticContact CE2-CG 3.97Å; F331-F438 HydrophobicContact CE2-CG 3.97Å; F331-F438 HydrophobicContact CE2-CZ 4.1Å; F331-F438 HydrophobicContact CG-CE1 4.28Å; F331-F438 HydrophobicContact CZ-CB 4.29Å; F331-F438 AromaticContact CZ-CD1 2.99Å; F331-F438 HydrophobicContact CZ-CD1 2.99Å; F331-F438 AromaticContact CZ-CE1 3.3Å; F331-F438 HydrophobicContact CZ-CE1 3.3Å; F331-F438 AromaticContact CZ-CG 3.73Å; F331-F438 HydrophobicContact CZ-CG 3.73Å; F331-F438 HydrophobicContact CZ-CZ 4.25Å; F331-T439 HydrophobicContact CE1-CG2 4.4Å; F331-P448 HydrophobicContact CD1-CG 4.08Å; F331-P448 HydrophobicContact CE1-CB 4.2Å; F331-P448 HydrophobicContact CE1-CG 3.67Å; F331-I450 HydrophobicContact CB-CD1 3.89Å; F331-I450 HydrophobicContact CD1-CD1 4.05Å; F331-I450 HydrophobicContact CD2-CD1 4.46Å; F331-I450 HydrophobicContact CG-CD1 3.85Å
332	I	43.4	Very low	48.4	Very low	98 Å²	98	84.9 Å²	84.9	50%	0.503	43%	0.434	S	S	.	.			trans	-69.5	123.2	177.1	-55.1	175.2	0	0	0	109.1	Y285 D334	Y285-I332 HydrophobicContact CE1-CD1 3.94Å; Y285-I332 HydrophobicContact CE1-CG1 4.37Å; Y285-I332 WeakPolarHBondContact OH-CD1 3.4Å; Y285-I332 WeakPolarHBondContact OH-CG1 3.26Å; I332-D334 HydrophobicContact CG2-CB 4.4Å; I332-D334 VanDerWaalsContact CG2-CG 3.46Å; I332-D334 VanDerWaalsContact CG2-OD2 3.28Å; I332-D334 WeakPolarHBondContact CG2-OD2 3.34Å; I332-D334 PolarHBondContact O-N 2.99Å
333	F	45.4	Very low	46.7	Very low	86 Å²	86	87.5 Å²	87.5	38%	0.377	45%	0.448	S	S	.	.			trans	-89.6	62	-176.7	-55.4	-58.2	0	0	0	112.2	L328 F331 I455	L328-F333 HydrophobicContact CD2-CZ 4.12Å; L328-F333 WeakPolarHBondContact O-CE2 3.48Å; F331-F333 HydrophobicContact CB-CE1 4.45Å; F331-F333 PolarHBondContact O-N 3.43Å; F333-I455 HydrophobicContact CD1-CD1 3.15Å; F333-I455 HydrophobicContact CD1-CG1 3.76Å; F333-I455 HydrophobicContact CD1-CG2 4.34Å; F333-I455 HydrophobicContact CE1-CB 4.38Å; F333-I455 HydrophobicContact CE1-CD1 3.45Å; F333-I455 VanDerWaalsContact CE1-CD1 3.45Å; F333-I455 HydrophobicContact CE1-CG1 3.46Å; F333-I455 VanDerWaalsContact CE1-CG1 3.46Å; F333-I455 HydrophobicContact CE1-CG2 4.01Å; F333-I455 HydrophobicContact CG-CD1 4.07Å; F333-I455 HydrophobicContact CZ-CG1 4.32Å; F333-I455 HydrophobicContact CZ-CG2 4.13Å
334	D	32.1	Very low	44.8	Very low	123 Å²	123	94 Å²	94	66%	0.658	48%	0.477	S	S	*	.			trans	-90.5	116.7	-178.5	-73.9	-22.3	0	0	0	112.4	I332 M336	I332-D334 HydrophobicContact CG2-CB 4.4Å; I332-D334 VanDerWaalsContact CG2-CG 3.46Å; I332-D334 VanDerWaalsContact CG2-OD2 3.28Å; I332-D334 WeakPolarHBondContact CG2-OD2 3.34Å; I332-D334 PolarHBondContact O-N 2.99Å; D334-M336 VanDerWaalsContact O-CG 3.29Å; D334-M336 WeakPolarHBondContact O-CG 3.49Å; D334-M336 PolarHBondContact O-N 3.03Å
335	N	28.1	Very low	43.4	Very low	161 Å²	161	94 Å²	94	86%	0.861	48%	0.476	S	S	*	.			trans	14.6	88.8	156.3	-66.3	-25.7	0	0	0	117
336	M	30.1	Very low	42.1	Very low	133 Å²	133	92.5 Å²	92.5	66%	0.655	47%	0.471	S	S	*	.			trans	-128	127.7	175.8	-75.1	-90.1	-91.2	0	0	110.9	D334 T449	D334-M336 VanDerWaalsContact O-CG 3.29Å; D334-M336 WeakPolarHBondContact O-CG 3.49Å; D334-M336 PolarHBondContact O-N 3.03Å; M336-T449 HydrophobicContact CE-CG2 3.06Å
337	N	29.1	Very low	40.6	Very low	160 Å²	160	93.3 Å²	93.3	86%	0.856	48%	0.477	S	S	*	.			trans	-56.8	139.5	-171.3	-77.8	-33.3	0	0	0	113.8	E339	N337-E339 PolarHBondContact O-N 2.93Å
338	L	32.5	Very low	39.2	Very low	159 Å²	159	95.1 Å²	95.1	83%	0.832	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	14	-170.4	-98.3	143.6	0	0	0	116.5
339	E	34.6	Very low	38.1	Very low	173 Å²	173	98.7 Å²	98.7	81%	0.808	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-11.4	-162.9	-68.4	-172.3	160.8	0	0	116.7	N337	N337-E339 PolarHBondContact O-N 2.93Å
340	D	32.6	Very low	37.5	Very low	131 Å²	131	95.4 Å²	95.4	70%	0.701	50%	0.498	S	S	*	.			trans	-100.6	98.9	177.6	-101.4	-29.6	0	0	0	112.9	T342	D340-T342 PolarHBondContact O-N 3.42Å; D340-T342 VanDerWaalsContact O-N 3.16Å
341	N	32.7	Very low	37.4	Very low	140 Å²	140	94.8 Å²	94.8	75%	0.749	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	6.3	175.9	-84.5	-53.2	0	0	0	114.4
342	T	33	Very low	37.6	Very low	107 Å²	107	100 Å²	100	66%	0.656	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-18.5	-174.3	46.3	0	0	0	0	113.5	D340	D340-T342 PolarHBondContact O-N 3.42Å; D340-T342 VanDerWaalsContact O-N 3.16Å
343	N	32	Very low	38.2	Very low	88 Å²	88	97.4 Å²	97.4	47%	0.471	50%	0.502	S	S	.	.			trans	-115.7	53.2	-177.5	-66.5	-26.3	0	0	0	112.4	I345	N343-I345 PolarHBondContact O-N 3.14Å
344	K	31.7	Very low	38.8	Very low	147 Å²	147	95.1 Å²	95.1	64%	0.639	49%	0.492	S	S	*	.			trans	-67.3	103.5	160.9	-82	-175.5	177.7	-178.3	0	107.5	D346	K344-D346 PolarHBondContact O-N 3.18Å
345	I	36.9	Very low	40.3	Very low	13 Å²	13	89.2 Å²	89.2	7%	0.067	46%	0.46	C	S	.	.			trans	-65.1	90.4	157.1	-64.1	-166	0	0	0	105.5	N343 L347 T350 T449 I450 T454	N343-I345 PolarHBondContact O-N 3.14Å; I345-L347 PolarHBondContact O-N 2.77Å; I345-T350 HydrophobicContact CG2-CG2 3.86Å; I345-T449 VanDerWaalsContact CD1-C 3.49Å; I345-T449 WeakPolarHBondContact CD1-O 3.24Å; I345-T449 WeakPolarHBondContact CG1-O 3.45Å; I345-I450 HydrophobicContact CB-CG2 4.42Å; I345-I450 HydrophobicContact CD1-CB 4.14Å; I345-I450 HydrophobicContact CD1-CG1 3.64Å; I345-T454 HydrophobicContact CB-CG2 4.32Å; I345-T454 HydrophobicContact CG2-CG2 4.18Å; I345-T454 WeakPolarHBondContact O-CB 3.5Å; I345-T454 WeakPolarHBondContact O-CG2 3.44Å; I345-T454 PolarHBondContact O-OG1 2.81Å
346	D	37.6	Very low	42	Very low	62 Å²	62	84.1 Å²	84.1	33%	0.332	43%	0.43	S	S	.	.			trans	-68.5	111.8	171.2	-143.8	-20.3	0	0	0	105.1	K344 A348 N349 T350	K344-D346 PolarHBondContact O-N 3.18Å; D346-A348 PolarHBondContact O-N 3.42Å; D346-A348 VanDerWaalsContact O-N 3.1Å; D346-N349 HydrophobicContact CB-CB 3.9Å; D346-N349 WeakPolarHBondContact CB-ND2 3.28Å; D346-N349 CarbonylContact O-C 3.55Å; D346-N349 WeakPolarHBondContact O-CA 3.49Å; D346-N349 WeakPolarHBondContact O-CB 3.37Å; D346-N349 PolarHBondContact O-N 3.48Å; D346-T350 PolarHBondContact O-N 3.01Å; D346-T350 VanDerWaalsContact O-N 3.17Å
347	L	39.7	Very low	43.6	Very low	31 Å²	31	78.7 Å²	78.7	16%	0.162	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-57.2	-25.7	173.6	-136.4	80.2	0	0	0	110.4	I345 N349 T350 T454 I458	I345-L347 PolarHBondContact O-N 2.77Å; L347-N349 VanDerWaalsContact C-N 3.27Å; L347-N349 PolarHBondContact O-N 3.33Å; L347-T350 HydrophobicContact CD1-CG2 4.44Å; L347-T350 PolarHBondContact O-N 2.78Å; L347-T350 VanDerWaalsContact O-N 3.16Å; L347-T350 PolarHBondContact O-OG1 3.14Å; L347-T454 HydrophobicContact CD1-CG2 3.58Å; L347-I458 HydrophobicContact CD1-CD1 3.42Å; L347-I458 VanDerWaalsContact CD1-CD1 3.42Å; L347-I458 HydrophobicContact CD1-CG1 3.43Å; L347-I458 VanDerWaalsContact CD1-CG1 3.43Å; L347-I458 HydrophobicContact CD2-CD1 4.47Å; L347-I458 HydrophobicContact CD2-CG1 3.59Å; L347-I458 HydrophobicContact CG-CG1 4.16Å
348	A	36.4	Very low	45.2	Very low	46 Å²	46	71.3 Å²	71.3	38%	0.38	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-63.8	-28.3	170.3	0	0	0	0	0	113.7	D346	D346-A348 PolarHBondContact O-N 3.42Å; D346-A348 VanDerWaalsContact O-N 3.1Å
349	N	38.5	Very low	46.9	Very low	105 Å²	105	63.8 Å²	63.8	56%	0.561	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-95.5	4.1	174	-67.1	-24.3	0	0	0	112.5	D346 L347 N441	D346-N349 HydrophobicContact CB-CB 3.9Å; D346-N349 WeakPolarHBondContact CB-ND2 3.28Å; D346-N349 CarbonylContact O-C 3.55Å; D346-N349 WeakPolarHBondContact O-CA 3.49Å; D346-N349 WeakPolarHBondContact O-CB 3.37Å; D346-N349 PolarHBondContact O-N 3.48Å; L347-N349 VanDerWaalsContact C-N 3.27Å; L347-N349 PolarHBondContact O-N 3.33Å; N349-N441 PolarHBondContact O-ND2 3.11Å
350	T	49	Very low	48.3	Very low	10 Å²	10	56.8 Å²	56.8	6%	0.061	29%	0.293	C	S	.	.	S	Bend	trans	-82.2	146.2	172.1	59.4	0	0	0	0	109.8	I345 D346 L347 W352	I345-T350 HydrophobicContact CG2-CG2 3.86Å; D346-T350 PolarHBondContact O-N 3.01Å; D346-T350 VanDerWaalsContact O-N 3.17Å; L347-T350 HydrophobicContact CD1-CG2 4.44Å; L347-T350 PolarHBondContact O-N 2.78Å; L347-T350 VanDerWaalsContact O-N 3.16Å; L347-T350 PolarHBondContact O-OG1 3.14Å; T350-W352 VanDerWaalsContact O-CD1 3.24Å; T350-W352 PolarHBondContact O-N 2.9Å
351	N	55	Low	49.8	Very low	3 Å²	3	51.3 Å²	51.3	2%	0.016	26%	0.263	C	S	.	.			trans	-71.3	44	173.3	-72.2	-34.9	0	0	0	111.5	L249 I353 F354 L355 I437	L249-N351 WeakPolarHBondContact CD2-ND2 3.22Å; N351-I353 PolarHBondContact O-N 3.34Å; N351-F354 HydrophobicContact CB-CB 4.2Å; N351-F354 HydrophobicContact CB-CD2 3.74Å; N351-F354 HydrophobicContact CB-CG 4.36Å; N351-F354 WeakPolarHBondContact O-CB 2.93Å; N351-F354 PolarHBondContact O-N 3.48Å; N351-L355 PolarHBondContact O-N 2.99Å; N351-I437 HydrophobicContact CB-CG2 3.58Å; N351-I437 PolarHBondContact ND2-O 3.21Å
352	W	60.1	Low	51.4	Low	123 Å²	123	45.7 Å²	45.7	47%	0.466	23%	0.233	S	C	.	.	H	α-helix	trans	-58.7	-30.8	-176.7	70.2	-92	0	0	0	111.6	T350 L355 F356	T350-W352 VanDerWaalsContact O-CD1 3.24Å; T350-W352 PolarHBondContact O-N 2.9Å; W352-L355 PolarHBondContact O-N 3.44Å; W352-F356 VanDerWaalsContact O-CB 3.26Å; W352-F356 WeakPolarHBondContact O-CB 3.38Å; W352-F356 PolarHBondContact O-N 2.98Å
353	I	55.3	Low	52.9	Low	44 Å²	44	41.7 Å²	41.7	23%	0.226	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-38.3	175.3	-163.8	163.9	0	0	0	111.9	N351 F356 Y357	N351-I353 PolarHBondContact O-N 3.34Å; I353-F356 WeakPolarHBondContact O-CB 3.33Å; I353-F356 PolarHBondContact O-N 3.29Å; I353-Y357 HydrophobicContact CD1-CE2 4.13Å; I353-Y357 HydrophobicContact CG1-CD2 4.05Å; I353-Y357 HydrophobicContact CG1-CE2 3.59Å; I353-Y357 WeakPolarHBondContact O-CD2 3.19Å; I353-Y357 PolarHBondContact O-N 3.29Å
354	F	57.5	Low	54.3	Low	38 Å²	38	38.7 Å²	38.7	17%	0.167	19%	0.189	C	C	.	.	H	α-helix	trans	-70.6	-39.9	175.2	-69.5	-86.7	0	0	0	111.5	Y246 L249 N351 F356 Y357 I358 L416 I437	Y246-F354 AromaticContact CD1-CE2 3.71Å; Y246-F354 HydrophobicContact CD1-CE2 3.71Å; Y246-F354 HydrophobicContact CD1-CZ 4.17Å; Y246-F354 AromaticContact CE1-CE2 3.89Å; Y246-F354 HydrophobicContact CE1-CE2 3.89Å; L249-F354 HydrophobicContact CD2-CE2 4.47Å; N351-F354 HydrophobicContact CB-CB 4.2Å; N351-F354 HydrophobicContact CB-CD2 3.74Å; N351-F354 HydrophobicContact CB-CG 4.36Å; N351-F354 WeakPolarHBondContact O-CB 2.93Å; N351-F354 PolarHBondContact O-N 3.48Å; F354-F356 VanDerWaalsContact C-N 3.33Å; F354-Y357 PolarHBondContact O-N 2.73Å; F354-I358 WeakPolarHBondContact O-CG1 3.47Å; F354-I358 PolarHBondContact O-N 3.28Å; F354-L416 HydrophobicContact CD1-CD2 3.6Å; F354-L416 HydrophobicContact CE1-CD2 4.11Å; F354-I437 HydrophobicContact CB-CD1 4.47Å; F354-I437 HydrophobicContact CB-CG2 3.63Å
355	L	63.1	Low	55.7	Low	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.3	-41.7	173.4	-70	163.2	0	0	0	111.3	M323 W326 N351 W352 I358 H359 K434 I437 F438	M323-L355 HydrophobicContact CG-CB 4.11Å; M323-L355 HydrophobicContact SD-CB 3.68Å; W326-L355 HydrophobicContact CZ3-CD2 4.24Å; N351-L355 PolarHBondContact O-N 2.99Å; W352-L355 PolarHBondContact O-N 3.44Å; L355-I358 PolarHBondContact O-N 2.87Å; L355-H359 PolarHBondContact O-CD2 3.29Å; L355-H359 PolarHBondContact O-N 3.21Å; L355-K434 HydrophobicContact CD2-CB 3.99Å; L355-K434 HydrophobicContact CD2-CG 4.34Å; L355-K434 WeakPolarHBondContact CD2-O 3.26Å; L355-I437 HydrophobicContact CD2-CG2 4.27Å; L355-I437 HydrophobicContact CG-CG2 4.03Å; L355-F438 HydrophobicContact CD1-CB 4.03Å; L355-F438 HydrophobicContact CD1-CD2 3.53Å; L355-F438 HydrophobicContact CD1-CG 4.26Å; L355-F438 HydrophobicContact CD2-CB 4.45Å
356	F	64.7	Low	57	Low	53 Å²	53	38.9 Å²	38.9	23%	0.232	20%	0.195	C	C	.	.	H	α-helix	trans	-58.6	-48.7	173.5	177.2	-101.9	0	0	0	110.5	I319 M320 M323 W352 I353 F354 I358 H359 V360	I319-F356 HydrophobicContact CB-CE2 4.36Å; I319-F356 HydrophobicContact CG2-CD2 4Å; I319-F356 HydrophobicContact CG2-CE2 3.83Å; M320-F356 HydrophobicContact CB-CE2 4.45Å; M323-F356 HydrophobicContact SD-CB 4.05Å; M323-F356 PolarHBondContact SD-N 3.32Å; M323-F356 VanDerWaalsContact SD-N 3.44Å; W352-F356 VanDerWaalsContact O-CB 3.26Å; W352-F356 WeakPolarHBondContact O-CB 3.38Å; W352-F356 PolarHBondContact O-N 2.98Å; I353-F356 WeakPolarHBondContact O-CB 3.33Å; I353-F356 PolarHBondContact O-N 3.29Å; F354-F356 VanDerWaalsContact C-N 3.33Å; F356-I358 VanDerWaalsContact C-N 3.33Å; F356-I358 PolarHBondContact O-N 2.9Å; F356-H359 PolarHBondContact O-N 3.4Å; F356-H359 VanDerWaalsContact O-N 3.15Å; F356-V360 HydrophobicContact CD1-CG2 4.09Å; F356-V360 HydrophobicContact CE1-CG2 3.72Å; F356-V360 HydrophobicContact CE2-CG2 4.27Å; F356-V360 HydrophobicContact CZ-CG2 3.81Å; F356-V360 WeakPolarHBondContact O-CG2 3.05Å; F356-V360 PolarHBondContact O-N 3.23Å
357	Y	63.4	Low	58.2	Low	20 Å²	20	36.2 Å²	36.2	8%	0.078	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-38.8	176.4	-76.1	-52.3	0	0	0	113.3	I353 F354 V360 M361 S409 L410 I417	I353-Y357 HydrophobicContact CD1-CE2 4.13Å; I353-Y357 HydrophobicContact CG1-CD2 4.05Å; I353-Y357 HydrophobicContact CG1-CE2 3.59Å; I353-Y357 WeakPolarHBondContact O-CD2 3.19Å; I353-Y357 PolarHBondContact O-N 3.29Å; F354-Y357 PolarHBondContact O-N 2.73Å; Y357-V360 WeakPolarHBondContact O-CB 3.45Å; Y357-V360 PolarHBondContact O-N 2.85Å; Y357-M361 WeakPolarHBondContact O-CG 3.35Å; Y357-M361 PolarHBondContact O-N 3.26Å; Y357-S409 WeakPolarHBondContact CE2-O 3.23Å; Y357-S409 VanDerWaalsContact CZ-O 3.23Å; Y357-S409 PolarHBondContact OH-O 3.39Å; Y357-S409 PolarHBondContact OH-OG 2.98Å; Y357-L410 HydrophobicContact CE1-CD2 4.48Å; Y357-L410 PolarHBondContact OH-N 3.21Å; Y357-I417 HydrophobicContact CD1-CD1 3.93Å
358	I	63.7	Low	59.1	Low	4 Å²	4	35.2 Å²	35.2	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-64.9	-41.4	174.9	-69	164.9	0	0	0	111.3	F354 L355 F356 V360 M361 E362 L420 I430 V433 K434 I437	F354-I358 WeakPolarHBondContact O-CG1 3.47Å; F354-I358 PolarHBondContact O-N 3.28Å; L355-I358 PolarHBondContact O-N 2.87Å; F356-I358 VanDerWaalsContact C-N 3.33Å; F356-I358 PolarHBondContact O-N 2.9Å; I358-V360 VanDerWaalsContact C-N 3.33Å; I358-M361 WeakPolarHBondContact O-CA 2.96Å; I358-M361 VanDerWaalsContact O-CB 3.3Å; I358-M361 WeakPolarHBondContact O-CB 3.35Å; I358-M361 PolarHBondContact O-N 3.46Å; I358-M361 VanDerWaalsContact O-N 3.09Å; I358-E362 WeakPolarHBondContact O-CG 3.09Å; I358-E362 PolarHBondContact O-N 3.31Å; I358-L420 HydrophobicContact CG1-CD1 4.12Å; I358-I430 HydrophobicContact CG2-CG2 3.96Å; I358-V433 HydrophobicContact CD1-CG1 3.84Å; I358-K434 HydrophobicContact CB-CG 4.44Å; I358-K434 HydrophobicContact CD1-CG 4.31Å; I358-K434 HydrophobicContact CG2-CD 4.22Å; I358-K434 HydrophobicContact CG2-CG 3.66Å; I358-I437 HydrophobicContact CD1-CD1 3.25Å
359	H	67.3	Low	59.9	Low	2 Å²	2	37 Å²	37	1%	0.009	18%	0.178	C	C	.	.	H	α-helix	trans	-70	-30.7	175.7	-76.8	-75.2	0	0	0	112.7	I319 M323 L355 F356 M361 E362 Y363	I319-H359 HydrophobicContact CG2-CB 3.68Å; M323-H359 WeakPolarHBondContact CA-NE2 3.31Å; M323-H359 VanDerWaalsContact CB-CD2 3.49Å; M323-H359 WeakPolarHBondContact CB-CD2 3.38Å; L355-H359 PolarHBondContact O-CD2 3.29Å; L355-H359 PolarHBondContact O-N 3.21Å; F356-H359 PolarHBondContact O-N 3.4Å; F356-H359 VanDerWaalsContact O-N 3.15Å; H359-M361 VanDerWaalsContact C-N 3.29Å; H359-E362 IonicContact CE1-OE2 3.8Å; H359-E362 IonicContact CG-OE2 2.67Å; H359-E362 IonicContact ND1-OE2 3.92Å; H359-E362 PolarHBondContact ND1-OE2 2.91Å; H359-E362 VanDerWaalsContact ND1-OE2 3.09Å; H359-E362 PolarHBondContact O-N 3.26Å; H359-Y363 WeakPolarHBondContact O-CB 3.31Å; H359-Y363 PolarHBondContact O-N 3.21Å
360	V	65.3	Low	60.5	Low	26 Å²	26	36.2 Å²	36.2	16%	0.158	17%	0.174	C	C	.	.	H	α-helix	trans	-62.1	-38.2	167	173.6	0	0	0	0	110.4	I319 F356 Y357 I358 Y363 I364 I417	I319-V360 HydrophobicContact CD1-CG2 4.01Å; I319-V360 HydrophobicContact CG2-CG2 3.95Å; F356-V360 HydrophobicContact CD1-CG2 4.09Å; F356-V360 HydrophobicContact CE1-CG2 3.72Å; F356-V360 HydrophobicContact CE2-CG2 4.27Å; F356-V360 HydrophobicContact CZ-CG2 3.81Å; F356-V360 WeakPolarHBondContact O-CG2 3.05Å; F356-V360 PolarHBondContact O-N 3.23Å; Y357-V360 WeakPolarHBondContact O-CB 3.45Å; Y357-V360 PolarHBondContact O-N 2.85Å; I358-V360 VanDerWaalsContact C-N 3.33Å; V360-Y363 WeakPolarHBondContact O-CB 3.3Å; V360-Y363 PolarHBondContact O-N 3.22Å; V360-I364 HydrophobicContact CG1-CD1 3.88Å; V360-I364 HydrophobicContact CG1-CG1 4.48Å; V360-I364 WeakPolarHBondContact O-CB 3.43Å; V360-I364 WeakPolarHBondContact O-CG1 3.32Å; V360-I364 PolarHBondContact O-N 3.02Å; V360-I417 HydrophobicContact CG1-CD1 4.47Å
361	M	63.9	Low	60.5	Low	15 Å²	15	41.6 Å²	41.6	7%	0.074	20%	0.196	C	C	.	.	H	α-helix	trans	-64.8	-46.6	173.1	-71.9	-60.3	90.7	0	0	114.1	Y357 I358 H359 Y363 I364 N365 I374 I417 I421	Y357-M361 WeakPolarHBondContact O-CG 3.35Å; Y357-M361 PolarHBondContact O-N 3.26Å; I358-M361 WeakPolarHBondContact O-CA 2.96Å; I358-M361 VanDerWaalsContact O-CB 3.3Å; I358-M361 WeakPolarHBondContact O-CB 3.35Å; I358-M361 PolarHBondContact O-N 3.46Å; I358-M361 VanDerWaalsContact O-N 3.09Å; H359-M361 VanDerWaalsContact C-N 3.29Å; M361-Y363 VanDerWaalsContact C-N 3.25Å; M361-Y363 PolarHBondContact O-N 2.94Å; M361-I364 HydrophobicContact CE-CB 4.17Å; M361-I364 HydrophobicContact CE-CD1 3.52Å; M361-I364 HydrophobicContact CE-CG1 4.29Å; M361-I364 PolarHBondContact O-N 2.84Å; M361-I364 VanDerWaalsContact O-N 3.13Å; M361-N365 VanDerWaalsContact O-CB 3.26Å; M361-N365 WeakPolarHBondContact O-CB 3.49Å; M361-N365 PolarHBondContact O-N 2.92Å; M361-I374 HydrophobicContact CE-CD1 4.4Å; M361-I417 HydrophobicContact CE-CB 3.56Å; M361-I417 HydrophobicContact CE-CD1 3.34Å; M361-I417 HydrophobicContact CE-CG1 3.2Å; M361-I417 HydrophobicContact CE-CG2 3.2Å; M361-I417 HydrophobicContact CG-CB 4.05Å; M361-I417 HydrophobicContact CG-CG1 3.58Å; M361-I417 WeakPolarHBondContact SD-CA 3.26Å; M361-I417 HydrophobicContact SD-CB 3.34Å; M361-I417 WeakPolarHBondContact SD-CB 3.33Å; M361-I417 HydrophobicContact SD-CD1 4.25Å; M361-I417 HydrophobicContact SD-CG1 3.39Å; M361-I417 WeakPolarHBondContact SD-CG1 3.37Å; M361-I417 HydrophobicContact SD-CG2 3.23Å; M361-I417 WeakPolarHBondContact SD-CG2 3.45Å; M361-I421 HydrophobicContact SD-CD1 3.68Å; M361-I421 HydrophobicContact SD-CG1 3.89Å
362	E	65.6	Low	59.8	Low	23 Å²	23	49.9 Å²	49.9	11%	0.107	24%	0.235	C	C	.	.	H	α-helix	trans	-60.5	-41.4	175.1	-69.8	-174.1	137.7	0	0	111.3	I358 H359 Q366 I430 K434	I358-E362 WeakPolarHBondContact O-CG 3.09Å; I358-E362 PolarHBondContact O-N 3.31Å; H359-E362 IonicContact CE1-OE2 3.8Å; H359-E362 IonicContact CG-OE2 2.67Å; H359-E362 IonicContact ND1-OE2 3.92Å; H359-E362 PolarHBondContact ND1-OE2 2.91Å; H359-E362 VanDerWaalsContact ND1-OE2 3.09Å; H359-E362 PolarHBondContact O-N 3.26Å; E362-Q366 VanDerWaalsContact O-CB 3.23Å; E362-Q366 WeakPolarHBondContact O-CB 3.46Å; E362-Q366 WeakPolarHBondContact O-CG 3.4Å; E362-Q366 PolarHBondContact O-N 3.3Å; E362-I430 HydrophobicContact CG-CG2 4.26Å; E362-K434 VanDerWaalsContact CD-CE 3.45Å; E362-K434 VanDerWaalsContact OE1-CE 3.29Å; E362-K434 WeakPolarHBondContact OE1-CE 3.29Å; E362-K434 IonicContact OE1-NZ 2.79Å; E362-K434 PolarHBondContact OE1-NZ 3.41Å; E362-K434 WeakPolarHBondContact OE2-CE 3.41Å; E362-K434 IonicContact OE2-NZ 2.75Å; E362-K434 PolarHBondContact OE2-NZ 3.31Å
363	Y	64.8	Low	58.7	Low	22 Å²	22	46.8 Å²	46.8	9%	0.086	23%	0.23	C	C	.	.	H	α-helix	trans	-56.5	-52	172.3	-178.4	-78.7	0	0	0	110.2	Y295 I315 I319 H359 V360 M361 Q366 N367 F368	Y295-Y363 AromaticContact CD1-CD2 3.7Å; Y295-Y363 HydrophobicContact CD1-CD2 3.7Å; Y295-Y363 AromaticContact CD1-CE2 3.38Å; Y295-Y363 HydrophobicContact CD1-CE2 3.38Å; Y295-Y363 AromaticContact CE1-CD2 3.03Å; Y295-Y363 HydrophobicContact CE1-CD2 3.03Å; Y295-Y363 AromaticContact CE1-CE2 3.15Å; Y295-Y363 HydrophobicContact CE1-CE2 3.15Å; Y295-Y363 HydrophobicContact CE1-CG 4.23Å; Y295-Y363 HydrophobicContact CE2-CD2 4.06Å; Y295-Y363 HydrophobicContact CG-CD2 4.43Å; Y295-Y363 HydrophobicContact CG-CE2 4.26Å; Y295-Y363 AromaticContact CZ-CD2 3.26Å; Y295-Y363 AromaticContact CZ-CE2 3.89Å; Y295-Y363 WeakPolarHBondContact OH-CD2 3.09Å; I315-Y363 HydrophobicContact CB-CE2 4.49Å; I315-Y363 WeakPolarHBondContact CD1-OH 3.15Å; I315-Y363 HydrophobicContact CG1-CE2 4.37Å; I315-Y363 WeakPolarHBondContact CG1-OH 3.39Å; I315-Y363 HydrophobicContact CG2-CD1 4.25Å; I315-Y363 HydrophobicContact CG2-CD2 3.96Å; I315-Y363 HydrophobicContact CG2-CE1 3.82Å; I315-Y363 HydrophobicContact CG2-CE2 3.52Å; I315-Y363 HydrophobicContact CG2-CG 4.37Å; I315-Y363 VanDerWaalsContact CG2-CZ 3.47Å; I319-Y363 HydrophobicContact CD1-CD1 4.48Å; I319-Y363 HydrophobicContact CD1-CD2 3.84Å; I319-Y363 HydrophobicContact CD1-CG 3.79Å; I319-Y363 HydrophobicContact CG1-CD2 3.85Å; I319-Y363 HydrophobicContact CG1-CG 4.19Å; H359-Y363 WeakPolarHBondContact O-CB 3.31Å; H359-Y363 PolarHBondContact O-N 3.21Å; V360-Y363 WeakPolarHBondContact O-CB 3.3Å; V360-Y363 PolarHBondContact O-N 3.22Å; M361-Y363 VanDerWaalsContact C-N 3.25Å; M361-Y363 PolarHBondContact O-N 2.94Å; Y363-Q366 PolarHBondContact O-N 3.36Å; Y363-N367 HydrophobicContact CD1-CB 4.48Å; Y363-N367 HydrophobicContact CE1-CB 4.14Å; Y363-N367 VanDerWaalsContact O-CB 3.24Å; Y363-N367 WeakPolarHBondContact O-CB 3.49Å; Y363-N367 PolarHBondContact O-N 3.29Å; Y363-N367 PolarHBondContact O-ND2 3.2Å; Y363-F368 HydrophobicContact CD1-CE2 4.01Å; Y363-F368 AromaticContact CE1-CE2 3.71Å; Y363-F368 HydrophobicContact CE1-CE2 3.71Å; Y363-F368 HydrophobicContact CE1-CZ 4.03Å
364	I	61.3	Low	57.9	Low	26 Å²	26	46.2 Å²	46.2	13%	0.133	23%	0.227	C	C	.	.	H	α-helix	trans	-64.4	-47.1	-174.7	-75.6	172.7	0	0	0	110.8	W301 V360 M361 Q366 N367 F368 I374	W301-I364 HydrophobicContact CH2-CD1 4.18Å; W301-I364 HydrophobicContact CZ3-CD1 3.82Å; W301-I364 HydrophobicContact CZ3-CG1 4.14Å; V360-I364 HydrophobicContact CG1-CD1 3.88Å; V360-I364 HydrophobicContact CG1-CG1 4.48Å; V360-I364 WeakPolarHBondContact O-CB 3.43Å; V360-I364 WeakPolarHBondContact O-CG1 3.32Å; V360-I364 PolarHBondContact O-N 3.02Å; M361-I364 HydrophobicContact CE-CB 4.17Å; M361-I364 HydrophobicContact CE-CD1 3.52Å; M361-I364 HydrophobicContact CE-CG1 4.29Å; M361-I364 PolarHBondContact O-N 2.84Å; M361-I364 VanDerWaalsContact O-N 3.13Å; I364-Q366 VanDerWaalsContact C-N 3.32Å; I364-Q366 PolarHBondContact O-N 3.48Å; I364-N367 PolarHBondContact O-N 3.03Å; I364-F368 HydrophobicContact CB-CD2 4Å; I364-F368 HydrophobicContact CB-CE2 4.44Å; I364-F368 HydrophobicContact CG1-CD2 3.93Å; I364-F368 HydrophobicContact CG1-CE2 3.9Å; I364-F368 HydrophobicContact CG2-CD2 3.9Å; I364-F368 WeakPolarHBondContact O-CB 3.49Å; I364-F368 WeakPolarHBondContact O-CD2 3.35Å; I364-F368 PolarHBondContact O-N 3.01Å; I364-I374 HydrophobicContact CD1-CD1 4.35Å
365	N	61.5	Low	56.7	Low	84 Å²	84	52.2 Å²	52.2	45%	0.449	26%	0.255	S	S	.	.	H	α-helix	trans	-66.4	-31	-178.2	-168.2	38	0	0	0	113	M361	M361-N365 VanDerWaalsContact O-CB 3.26Å; M361-N365 WeakPolarHBondContact O-CB 3.49Å; M361-N365 PolarHBondContact O-N 2.92Å
366	Q	64.3	Low	55.1	Low	80 Å²	80	54.3 Å²	54.3	37%	0.374	27%	0.269	S	S	.	.	H	α-helix	trans	-82.7	-25.5	177.5	-70.2	171.9	12.8	0	0	113.1	Y295 E362 Y363 I364	Y295-Q366 HydrophobicContact CD2-CB 4.45Å; E362-Q366 VanDerWaalsContact O-CB 3.23Å; E362-Q366 WeakPolarHBondContact O-CB 3.46Å; E362-Q366 WeakPolarHBondContact O-CG 3.4Å; E362-Q366 PolarHBondContact O-N 3.3Å; Y363-Q366 PolarHBondContact O-N 3.36Å; I364-Q366 VanDerWaalsContact C-N 3.32Å; I364-Q366 PolarHBondContact O-N 3.48Å
367	N	62	Low	53.2	Low	6 Å²	6	56.4 Å²	56.4	3%	0.032	29%	0.289	C	S	.	.	H	α-helix	trans	-109.4	-22.9	-170	-70.7	-69.7	0	0	0	115.4	Y295 M299 Y363 I364	Y295-N367 WeakPolarHBondContact CB-OD1 3.49Å; Y295-N367 WeakPolarHBondContact CD2-ND2 3.48Å; M299-N367 PolarHBondContact N-O 3.07Å; Y363-N367 HydrophobicContact CD1-CB 4.48Å; Y363-N367 HydrophobicContact CE1-CB 4.14Å; Y363-N367 VanDerWaalsContact O-CB 3.24Å; Y363-N367 WeakPolarHBondContact O-CB 3.49Å; Y363-N367 PolarHBondContact O-N 3.29Å; Y363-N367 PolarHBondContact O-ND2 3.2Å; I364-N367 PolarHBondContact O-N 3.03Å
368	F	58.2	Low	51.5	Low	10 Å²	10	60.9 Å²	60.9	4%	0.044	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-113.2	124.4	-175.1	-60	-71.8	0	0	0	112.8	M299 W301 F304 Y363 I364	M299-F368 HydrophobicContact CB-CD1 4.47Å; M299-F368 HydrophobicContact CB-CE1 4.04Å; M299-F368 HydrophobicContact CG-CE1 4.1Å; M299-F368 WeakPolarHBondContact O-CA 3.47Å; M299-F368 WeakPolarHBondContact O-CD1 3.35Å; M299-F368 HydrophobicContact SD-CE1 4.32Å; W301-F368 VanDerWaalsContact CA-CD1 3.48Å; W301-F368 HydrophobicContact CB-CD1 4.19Å; W301-F368 HydrophobicContact CE3-CD1 4.23Å; W301-F368 AromaticContact CE3-CD2 3.94Å; W301-F368 HydrophobicContact CE3-CD2 3.94Å; W301-F368 HydrophobicContact CE3-CE1 4.26Å; W301-F368 AromaticContact CE3-CE2 3.95Å; W301-F368 HydrophobicContact CE3-CE2 3.95Å; W301-F368 HydrophobicContact CE3-CG 4.12Å; W301-F368 HydrophobicContact CE3-CZ 4.13Å; W301-F368 HydrophobicContact CZ3-CD2 4.33Å; W301-F368 HydrophobicContact CZ3-CE2 4.09Å; W301-F368 HydrophobicContact CZ3-CZ 4.47Å; W301-F368 VanDerWaalsContact N-CD1 3.32Å; F304-F368 HydrophobicContact CB-CE1 3.41Å; F304-F368 VanDerWaalsContact CB-CE1 3.41Å; F304-F368 HydrophobicContact CB-CZ 3.42Å; F304-F368 VanDerWaalsContact CB-CZ 3.42Å; F304-F368 AromaticContact CD2-CZ 3.76Å; F304-F368 HydrophobicContact CD2-CZ 3.76Å; F304-F368 HydrophobicContact CG-CE1 4.18Å; F304-F368 AromaticContact CG-CZ 3.66Å; F304-F368 HydrophobicContact CG-CZ 3.66Å; Y363-F368 HydrophobicContact CD1-CE2 4.01Å; Y363-F368 AromaticContact CE1-CE2 3.71Å; Y363-F368 HydrophobicContact CE1-CE2 3.71Å; Y363-F368 HydrophobicContact CE1-CZ 4.03Å; I364-F368 HydrophobicContact CB-CD2 4Å; I364-F368 HydrophobicContact CB-CE2 4.44Å; I364-F368 HydrophobicContact CG1-CD2 3.93Å; I364-F368 HydrophobicContact CG1-CE2 3.9Å; I364-F368 HydrophobicContact CG2-CD2 3.9Å; I364-F368 WeakPolarHBondContact O-CB 3.49Å; I364-F368 WeakPolarHBondContact O-CD2 3.35Å; I364-F368 PolarHBondContact O-N 3.01Å
369	D	52.8	Low	49.7	Very low	84 Å²	84	72.4 Å²	72.4	45%	0.449	36%	0.361	S	S	.	.	S	Bend	trans	-72.7	-30.4	179.2	-61	-34.3	0	0	0	113.2	Q298 K371	Q298-D369 PolarHBondContact NE2-OD1 2.74Å; D369-K371 PolarHBondContact O-N 3.34Å
370	N	51.8	Low	47.8	Very low	87 Å²	87	79.1 Å²	79.1	47%	0.465	40%	0.397	S	S	.	.			trans	-92.1	89.5	-176.6	-77.9	8.7	0	0	0	110.5	Q372	N370-Q372 PolarHBondContact O-N 3.4Å; N370-Q372 VanDerWaalsContact O-N 3.08Å
371	K	48.4	Very low	45.9	Very low	123 Å²	123	86.6 Å²	86.6	54%	0.535	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-4.2	178.5	-61.9	-175.8	176.6	-173	0	115.2	D369	D369-K371 PolarHBondContact O-N 3.34Å
372	Q	41.6	Very low	44.1	Very low	178 Å²	178	93.1 Å²	93.1	83%	0.832	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	2.7	-159.3	-82.9	-172.5	-16.9	0	0	117.5	N370	N370-Q372 PolarHBondContact O-N 3.4Å; N370-Q372 VanDerWaalsContact O-N 3.08Å
373	T	36.3	Very low	42.2	Very low	58 Å²	58	97.9 Å²	97.9	36%	0.356	50%	0.499	S	S	.	.			trans	-150.4	76.7	-176.5	37	0	0	0	0	113.5	W301 E375	W301-T373 VanDerWaalsContact CD1-O 3.28Å; W301-T373 PolarHBondContact NE1-O 2.82Å; T373-E375 VanDerWaalsContact C-N 3.31Å; T373-E375 PolarHBondContact O-N 2.99Å
374	I	39.1	Very low	40.3	Very low	32 Å²	32	105.3 Å²	105.3	16%	0.164	53%	0.532	C	S	.	.			trans	-88.1	82	153.1	-55.9	175.3	0	0	0	106	W301 M361 I364 C376 I414 I417 I421	W301-I374 HydrophobicContact CH2-CG1 4.33Å; W301-I374 HydrophobicContact CZ2-CG1 4.25Å; W301-I374 HydrophobicContact CZ2-CG2 4.36Å; M361-I374 HydrophobicContact CE-CD1 4.4Å; I364-I374 HydrophobicContact CD1-CD1 4.35Å; I374-C376 PolarHBondContact O-N 3.4Å; I374-I414 HydrophobicContact CG2-CD1 4.33Å; I374-I414 HydrophobicContact CG2-CG1 4.11Å; I374-I414 HydrophobicContact CG2-CG2 3.84Å; I374-I417 HydrophobicContact CD1-CG2 3.43Å; I374-I417 VanDerWaalsContact CD1-CG2 3.43Å; I374-I421 HydrophobicContact CD1-CD1 4.11Å
375	E	31.2	Very low	38.5	Very low	163 Å²	163	109.9 Å²	109.9	76%	0.762	56%	0.563	S	S	*	*			trans	-73	116.9	170.4	-73.5	179.8	173.4	0	0	108.3	T373	T373-E375 VanDerWaalsContact C-N 3.31Å; T373-E375 PolarHBondContact O-N 2.99Å
376	C	30.2	Very low	36.9	Very low	44 Å²	44	112.7 Å²	112.7	30%	0.297	58%	0.578	S	S	.	*			trans	-57	137.3	163.1	-87.3	0	0	0	0	107.9	I374 T378 D411 I414	I374-C376 PolarHBondContact O-N 3.4Å; C376-T378 VanDerWaalsContact C-N 3.34Å; C376-T378 PolarHBondContact O-N 2.97Å; C376-D411 PolarHBondContact SG-OD1 3.39Å; C376-I414 WeakPolarHBondContact SG-CD1 3.48Å
377	P	25.3	Very low	35.1	Very low	98 Å²	98	116.3 Å²	116.3	64%	0.636	60%	0.6	S	S	*	*			trans	-59	103.3	167.3	2	5.7	0	0	0	107.5	R379	P377-R379 PolarHBondContact O-N 3.44Å
378	T	26.5	Very low	33.5	Very low	113 Å²	113	121.3 Å²	121.3	69%	0.693	64%	0.635	S	S	*	*			trans	-60.3	134.7	171.3	45.7	0	0	0	0	107.1	C376 N380	C376-T378 VanDerWaalsContact C-N 3.34Å; C376-T378 PolarHBondContact O-N 2.97Å; T378-N380 PolarHBondContact O-N 3.01Å
379	R	25.7	Very low	31.9	Very low	246 Å²	246	128.3 Å²	128.3	93%	0.928	67%	0.673	S	S	*	*			trans	-64.3	87.9	175.7	-146.8	179.5	-171	172.9	3.9	106.8	P377 E381	P377-R379 PolarHBondContact O-N 3.44Å; R379-E381 PolarHBondContact O-N 2.82Å
380	N	27.6	Very low	30.6	Very low	144 Å²	144	133.1 Å²	133.1	77%	0.77	69%	0.693	S	S	*	*			trans	-55.8	128.7	178.1	-94.3	-11.7	0	0	0	108.2	T378	T378-N380 PolarHBondContact O-N 3.01Å
381	E	26.8	Very low	29.4	Very low	183 Å²	183	134.4 Å²	134.4	86%	0.855	71%	0.708	S	S	*	*			trans	-45	138.7	-176.5	-60.5	171.2	159.3	0	0	111.5	R379	R379-E381 PolarHBondContact O-N 2.82Å
382	N	25.2	Very low	28.2	Very low	151 Å²	151	135.6 Å²	135.6	81%	0.807	72%	0.721	S	S	*	*			trans	-19.8	113.1	175.6	-69.2	-38.6	0	0	0	113.5	K384	N382-K384 PolarHBondContact O-N 3Å
383	P	25.7	Very low	27.3	Very low	124 Å²	124	134.4 Å²	134.4	81%	0.805	72%	0.72	S	S	*	*			trans	-66	107.5	169.3	27.2	-29.9	0	0	0	107
384	K	24.8	Very low	26.9	Very low	178 Å²	178	137.5 Å²	137.5	77%	0.774	74%	0.739	S	S	*	*			trans	-52.7	134.1	168.2	-75.9	178.7	178.3	174	0	108	N382 N386	N382-K384 PolarHBondContact O-N 3Å; K384-N386 PolarHBondContact O-N 2.84Å
385	P	24.2	Very low	26.2	Very low	122 Å²	122	145 Å²	145	79%	0.792	77%	0.77	S	S	*	*			trans	-76.6	94.1	-178.3	31.6	-30.7	0	0	0	107.9
386	N	27.4	Very low	25.8	Very low	142 Å²	142	140.9 Å²	140.9	76%	0.759	76%	0.764	S	S	*	*			trans	-112.8	99.5	168.7	-82.8	-0.3	0	0	0	109.2	K384 S388	K384-N386 PolarHBondContact O-N 2.84Å; N386-S388 PolarHBondContact O-N 3.15Å
387	N	26.2	Very low	25.5	Very low	156 Å²	156	143.6 Å²	143.6	83%	0.834	78%	0.776	S	S	*	*			trans	7.9	104.3	146	-66.2	-16.5	0	0	0	115.7
388	S	27.9	Very low	25.6	Very low	112 Å²	112	143.1 Å²	143.1	78%	0.783	77%	0.773	S	S	*	*				174.8	117.5	122.3	35.5	0	0	0	0	108.9	N386	N386-S388 PolarHBondContact O-N 3.15Å
389	N	25.1	Very low	25.6	Very low	156 Å²	156	142.3 Å²	142.3	83%	0.834	77%	0.768	S	S	*	*			trans	1.8	116.5	152.6	-55.9	-21.2	0	0	0	115.9
390	E	26.1	Very low	25.6	Very low	186 Å²	186	137.2 Å²	137.2	87%	0.869	76%	0.759	S	S	*	*				-168.4	126.1	126.5	-104.7	163.6	-160.2	0	0	112.6
391	S	26.2	Very low	25.4	Very low	113 Å²	113	133.9 Å²	133.9	79%	0.79	75%	0.746	S	S	*	*			trans	66.5	95.3	155.5	58.5	0	0	0	0	120.6
392	N	23.7	Very low	25.5	Very low	148 Å²	148	128.3 Å²	128.3	79%	0.791	73%	0.725	S	S	*	*			trans	-11	124.9	130.2	-58.8	-34.9	0	0	0	115.4
393	D	23.3	Very low	25.5	Very low	153 Å²	153	127.6 Å²	127.6	82%	0.818	72%	0.719	S	S	*	*				175.8	148.1	109.7	-90.6	-24.4	0	0	0	112.4
394	V	26.1	Very low	25.5	Very low	123 Å²	123	125.1 Å²	125.1	75%	0.745	70%	0.698	S	S	*	*			trans	98.2	84.1	161.8	-162.1	0	0	0	0	117.9
395	F	25.2	Very low	26	Very low	189 Å²	189	118.4 Å²	118.4	83%	0.829	67%	0.671	S	S	*	*			trans	51.6	104.2	139.3	-66.5	-88.8	0	0	0	118.4
396	A	23.9	Very low	26.3	Very low	77 Å²	77	116.9 Å²	116.9	64%	0.636	66%	0.655	S	S	*	*				47.7	88.1	74.5	0	0	0	0	0	115.3
397	N	24	Very low	26.5	Very low	101 Å²	101	115.6 Å²	115.6	54%	0.54	64%	0.644	S	S	.	*				-175.1	117.3	125.9	-144.9	-25.7	0	0	0	111.6	T399	N397-T399 PolarHBondContact O-N 2.92Å; N397-T399 VanDerWaalsContact O-N 3.11Å; N397-T399 PolarHBondContact OD1-OG1 3.38Å
398	P	26.2	Very low	26.9	Very low	88 Å²	88	111.6 Å²	111.6	57%	0.571	62%	0.623	S	S	*	*	S	Bend	trans	-73	6.6	179.5	-13.9	29	0	0	0	115.6	L400	P398-L400 PolarHBondContact O-N 3.29Å; P398-L400 VanDerWaalsContact O-N 3.13Å
399	T	26.1	Very low	27.5	Very low	97 Å²	97	107.4 Å²	107.4	60%	0.595	59%	0.594	S	S	*	*	S	Bend	trans	-76.8	15.8	173.7	49	0	0	0	0	114	N397	N397-T399 PolarHBondContact O-N 2.92Å; N397-T399 VanDerWaalsContact O-N 3.11Å; N397-T399 PolarHBondContact OD1-OG1 3.38Å
400	L	25.7	Very low	28.2	Very low	139 Å²	139	103.1 Å²	103.1	73%	0.728	57%	0.57	S	S	*	*			trans	-128.4	76.2	-176.2	-86.7	139.2	0	0	0	109.4	P398	P398-L400 PolarHBondContact O-N 3.29Å; P398-L400 VanDerWaalsContact O-N 3.13Å
401	C	24.5	Very low	29	Very low	74 Å²	74	97.3 Å²	97.3	50%	0.5	55%	0.545	S	S	.	.			trans	-144.5	125.5	166.7	-158	0	0	0	0	109.1	Y228	Y228-C401 WeakPolarHBondContact OH-CB 3.48Å
402	P	27.3	Very low	30	Very low	65 Å²	65	96.8 Å²	96.8	42%	0.422	53%	0.532	S	S	.	.			cis	-130.5	163.4	-25.7	29.5	-11.2	0	0	0	111.8	L404	P402-L404 PolarHBondContact O-N 2.79Å
403	M	25.4	Very low	31.1	Very low	136 Å²	136	89.8 Å²	89.8	67%	0.67	50%	0.495	S	S	*	.			trans	-46.6	98	143.6	-79.2	156	48.3	0	0	107.3	D405 I406	M403-D405 VanDerWaalsContact C-N 3.32Å; M403-D405 PolarHBondContact O-N 3.43Å; M403-D405 VanDerWaalsContact O-N 3.08Å; M403-I406 HydrophobicContact CE-CB 3.53Å; M403-I406 HydrophobicContact CE-CD1 3.25Å; M403-I406 HydrophobicContact CE-CG1 3.5Å; M403-I406 HydrophobicContact CE-CG2 4.4Å; M403-I406 HydrophobicContact CG-CD1 4.47Å; M403-I406 HydrophobicContact SD-CD1 4.07Å
404	L	27.3	Very low	32.2	Very low	73 Å²	73	84 Å²	84	38%	0.382	46%	0.463	S	S	.	.	S	Bend	trans	-60.1	109.3	150	-86.1	137.2	0	0	0	104.9	L235 W239 P402	L235-L404 HydrophobicContact CB-CD1 4.07Å; W239-L404 HydrophobicContact CB-CD2 4.19Å; W239-L404 VanDerWaalsContact CD1-CD2 3.42Å; W239-L404 HydrophobicContact CD2-CD2 4.19Å; W239-L404 HydrophobicContact CG-CD2 3.69Å; P402-L404 PolarHBondContact O-N 2.79Å
405	D	34.8	Very low	33.4	Very low	36 Å²	36	82 Å²	82	19%	0.193	45%	0.454	C	S	.	.			trans	73.4	42.9	149.6	-59.3	-5.3	0	0	0	119.1	W239 M403 D408 S409	W239-D405 PolarHBondContact NE1-OD2 3.39Å; M403-D405 VanDerWaalsContact C-N 3.32Å; M403-D405 PolarHBondContact O-N 3.43Å; M403-D405 VanDerWaalsContact O-N 3.08Å; D405-D408 HydrophobicContact CB-CB 3.72Å; D405-D408 VanDerWaalsContact OD1-OD2 3.1Å; D405-S409 WeakPolarHBondContact O-CB 3.49Å; D405-S409 PolarHBondContact O-N 3.27Å; D405-S409 PolarHBondContact O-OG 2.95Å
406	I	30.6	Very low	34.7	Very low	91 Å²	91	73.9 Å²	73.9	47%	0.467	42%	0.42	S	S	.	.	H	α-helix	trans	-64.4	-39.5	151.4	-68.6	-176.1	0	0	0	108.7	M403 S409 L410	M403-I406 HydrophobicContact CE-CB 3.53Å; M403-I406 HydrophobicContact CE-CD1 3.25Å; M403-I406 HydrophobicContact CE-CG1 3.5Å; M403-I406 HydrophobicContact CE-CG2 4.4Å; M403-I406 HydrophobicContact CG-CD1 4.47Å; M403-I406 HydrophobicContact SD-CD1 4.07Å; I406-S409 PolarHBondContact O-OG 2.91Å; I406-L410 HydrophobicContact CG2-CD1 3.62Å; I406-L410 HydrophobicContact CG2-CG 4.17Å; I406-L410 WeakPolarHBondContact O-CB 3.32Å; I406-L410 VanDerWaalsContact O-CD1 3.23Å; I406-L410 WeakPolarHBondContact O-CD1 3.07Å; I406-L410 WeakPolarHBondContact O-CG 3.26Å; I406-L410 PolarHBondContact O-N 3.5Å
407	H	31.4	Very low	36	Very low	114 Å²	114	70.6 Å²	70.6	53%	0.528	39%	0.391	S	S	.	.	H	α-helix	trans	-69.1	-48.1	175.4	-91.5	-75.3	0	0	0	113.3	S409 L410 D411	H407-S409 PolarHBondContact O-N 2.83Å; H407-L410 CarbonylContact O-C 3.53Å; H407-L410 WeakPolarHBondContact O-CA 3.3Å; H407-L410 WeakPolarHBondContact O-CB 3.49Å; H407-L410 PolarHBondContact O-N 3.35Å; H407-L410 VanDerWaalsContact O-N 3.14Å; H407-D411 PolarHBondContact O-N 3.36Å
408	D	35.1	Very low	37.4	Very low	72 Å²	72	68.7 Å²	68.7	39%	0.385	38%	0.379	S	S	.	.	H	α-helix	trans	-75.4	-27.5	-178.2	-49.2	5.2	0	0	0	112.7	D405 D411 M412	D405-D408 HydrophobicContact CB-CB 3.72Å; D405-D408 VanDerWaalsContact OD1-OD2 3.1Å; D408-D411 PolarHBondContact O-N 3.05Å; D408-M412 PolarHBondContact O-N 2.97Å
409	S	39.3	Very low	38.7	Very low	25 Å²	25	67.1 Å²	67.1	18%	0.175	36%	0.362	C	S	.	.	H	α-helix	trans	-72	-31.9	167.8	71.3	0	0	0	0	111.8	Y357 D405 I406 H407 G413	Y357-S409 WeakPolarHBondContact CE2-O 3.23Å; Y357-S409 VanDerWaalsContact CZ-O 3.23Å; Y357-S409 PolarHBondContact OH-O 3.39Å; Y357-S409 PolarHBondContact OH-OG 2.98Å; D405-S409 WeakPolarHBondContact O-CB 3.49Å; D405-S409 PolarHBondContact O-N 3.27Å; D405-S409 PolarHBondContact O-OG 2.95Å; I406-S409 PolarHBondContact O-OG 2.91Å; H407-S409 PolarHBondContact O-N 2.83Å; S409-G413 WeakPolarHBondContact O-CA 3.49Å; S409-G413 PolarHBondContact O-N 2.93Å
410	L	40.8	Very low	39.9	Very low	65 Å²	65	63.5 Å²	63.5	34%	0.34	34%	0.339	S	S	.	.	H	α-helix	trans	-67	-38.9	169.9	-80	166.4	0	0	0	110.7	Y357 I406 H407 G413 I414	Y357-L410 HydrophobicContact CE1-CD2 4.48Å; Y357-L410 PolarHBondContact OH-N 3.21Å; I406-L410 HydrophobicContact CG2-CD1 3.62Å; I406-L410 HydrophobicContact CG2-CG 4.17Å; I406-L410 WeakPolarHBondContact O-CB 3.32Å; I406-L410 VanDerWaalsContact O-CD1 3.23Å; I406-L410 WeakPolarHBondContact O-CD1 3.07Å; I406-L410 WeakPolarHBondContact O-CG 3.26Å; I406-L410 PolarHBondContact O-N 3.5Å; H407-L410 CarbonylContact O-C 3.53Å; H407-L410 WeakPolarHBondContact O-CA 3.3Å; H407-L410 WeakPolarHBondContact O-CB 3.49Å; H407-L410 PolarHBondContact O-N 3.35Å; H407-L410 VanDerWaalsContact O-N 3.14Å; L410-G413 CarbonylContact O-C 3.49Å; L410-G413 PolarHBondContact O-N 2.96Å; L410-I414 HydrophobicContact CB-CD1 4.44Å; L410-I414 WeakPolarHBondContact O-CB 3.43Å; L410-I414 WeakPolarHBondContact O-CD1 3.42Å; L410-I414 WeakPolarHBondContact O-CG1 3.45Å; L410-I414 PolarHBondContact O-N 2.69Å
411	D	42.8	Very low	41.2	Very low	65 Å²	65	59 Å²	59	35%	0.348	32%	0.315	S	S	.	.	H	α-helix	trans	-69.3	-42.4	178.4	-71	-22.9	0	0	0	111.4	C376 H407 D408 G413 I414 S415	C376-D411 PolarHBondContact SG-OD1 3.39Å; H407-D411 PolarHBondContact O-N 3.36Å; D408-D411 PolarHBondContact O-N 3.05Å; D411-G413 VanDerWaalsContact C-N 3.34Å; D411-I414 PolarHBondContact O-N 3.48Å; D411-S415 WeakPolarHBondContact O-CB 3.41Å; D411-S415 PolarHBondContact O-N 2.78Å; D411-S415 PolarHBondContact O-OG 3.21Å
412	M	45.7	Very low	42.7	Very low	102 Å²	102	60.6 Å²	60.6	50%	0.502	32%	0.319	S	S	.	.	H	α-helix	trans	-62.8	-41.3	169.4	-87	-170.8	-77.9	0	0	112.1	D408 S415 L416	D408-M412 PolarHBondContact O-N 2.97Å; M412-S415 PolarHBondContact O-N 3.28Å; M412-L416 WeakPolarHBondContact O-CB 3.45Å; M412-L416 PolarHBondContact O-N 3.26Å
413	G	46.9	Very low	44	Very low	1 Å²	1	61.1 Å²	61.1	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-56.9	-57.3	174.1	0	0	0	0	0	110.2	S409 L410 D411 S415 L416 I417	S409-G413 WeakPolarHBondContact O-CA 3.49Å; S409-G413 PolarHBondContact O-N 2.93Å; L410-G413 CarbonylContact O-C 3.49Å; L410-G413 PolarHBondContact O-N 2.96Å; D411-G413 VanDerWaalsContact C-N 3.34Å; G413-S415 VanDerWaalsContact C-N 3.33Å; G413-S415 PolarHBondContact O-N 2.98Å; G413-L416 WeakPolarHBondContact O-CB 3.24Å; G413-L416 PolarHBondContact O-N 2.9Å; G413-L416 VanDerWaalsContact O-N 3.14Å; G413-I417 WeakPolarHBondContact O-CB 3.4Å; G413-I417 WeakPolarHBondContact O-CD1 3.41Å; G413-I417 WeakPolarHBondContact O-CG1 3.06Å; G413-I417 PolarHBondContact O-N 3.11Å
414	I	47.4	Very low	45.6	Very low	31 Å²	31	60.5 Å²	60.5	16%	0.159	31%	0.314	C	S	.	.	H	α-helix	trans	-57.9	-39.8	178.5	-69.6	164	0	0	0	111.4	I374 C376 L410 D411 I417 Q418	I374-I414 HydrophobicContact CG2-CD1 4.33Å; I374-I414 HydrophobicContact CG2-CG1 4.11Å; I374-I414 HydrophobicContact CG2-CG2 3.84Å; C376-I414 WeakPolarHBondContact SG-CD1 3.48Å; L410-I414 HydrophobicContact CB-CD1 4.44Å; L410-I414 WeakPolarHBondContact O-CB 3.43Å; L410-I414 WeakPolarHBondContact O-CD1 3.42Å; L410-I414 WeakPolarHBondContact O-CG1 3.45Å; L410-I414 PolarHBondContact O-N 2.69Å; D411-I414 PolarHBondContact O-N 3.48Å; I414-I417 VanDerWaalsContact O-CB 3.31Å; I414-I417 WeakPolarHBondContact O-CB 3.49Å; I414-I417 WeakPolarHBondContact O-CG2 3.2Å; I414-I417 PolarHBondContact O-N 3.36Å; I414-Q418 VanDerWaalsContact O-CB 3.24Å; I414-Q418 WeakPolarHBondContact O-CB 3.37Å; I414-Q418 PolarHBondContact O-N 3.3Å
415	S	50.4	Low	46.9	Very low	80 Å²	80	58 Å²	58	56%	0.559	30%	0.301	S	S	*	.	H	α-helix	trans	-65.7	-43.1	175.6	-57.7	0	0	0	0	112.1	D411 M412 G413 Q418 Y419	D411-S415 WeakPolarHBondContact O-CB 3.41Å; D411-S415 PolarHBondContact O-N 2.78Å; D411-S415 PolarHBondContact O-OG 3.21Å; M412-S415 PolarHBondContact O-N 3.28Å; G413-S415 VanDerWaalsContact C-N 3.33Å; G413-S415 PolarHBondContact O-N 2.98Å; S415-Q418 PolarHBondContact O-N 3.44Å; S415-Y419 VanDerWaalsContact O-CB 3.26Å; S415-Y419 WeakPolarHBondContact O-CB 3.47Å; S415-Y419 PolarHBondContact O-N 2.78Å
416	L	52.2	Low	48.1	Very low	19 Å²	19	58.4 Å²	58.4	10%	0.099	31%	0.309	C	S	.	.	H	α-helix	trans	-67.7	-41.1	175.4	-179.4	71.4	0	0	0	111.6	F354 M412 G413 Y419 L420	F354-L416 HydrophobicContact CD1-CD2 3.6Å; F354-L416 HydrophobicContact CE1-CD2 4.11Å; M412-L416 WeakPolarHBondContact O-CB 3.45Å; M412-L416 PolarHBondContact O-N 3.26Å; G413-L416 WeakPolarHBondContact O-CB 3.24Å; G413-L416 PolarHBondContact O-N 2.9Å; G413-L416 VanDerWaalsContact O-N 3.14Å; L416-Y419 PolarHBondContact O-N 3.07Å; L416-L420 HydrophobicContact CD1-CD1 4.36Å; L416-L420 HydrophobicContact CD1-CG 4.47Å; L416-L420 HydrophobicContact CG-CD1 3.99Å; L416-L420 HydrophobicContact CG-CG 4.45Å; L416-L420 WeakPolarHBondContact O-CB 3.34Å; L416-L420 WeakPolarHBondContact O-CG 3.37Å; L416-L420 PolarHBondContact O-N 3.38Å
417	I	51.4	Low	49.4	Very low	9 Å²	9	58.4 Å²	58.4	5%	0.046	31%	0.306	C	S	.	.	H	α-helix	trans	-54.6	-52.2	173.1	-80.6	174.6	0	0	0	110.1	Y357 V360 M361 I374 G413 I414 L420 I421	Y357-I417 HydrophobicContact CD1-CD1 3.93Å; V360-I417 HydrophobicContact CG1-CD1 4.47Å; M361-I417 HydrophobicContact CE-CB 3.56Å; M361-I417 HydrophobicContact CE-CD1 3.34Å; M361-I417 HydrophobicContact CE-CG1 3.2Å; M361-I417 HydrophobicContact CE-CG2 3.2Å; M361-I417 HydrophobicContact CG-CB 4.05Å; M361-I417 HydrophobicContact CG-CG1 3.58Å; M361-I417 WeakPolarHBondContact SD-CA 3.26Å; M361-I417 HydrophobicContact SD-CB 3.34Å; M361-I417 WeakPolarHBondContact SD-CB 3.33Å; M361-I417 HydrophobicContact SD-CD1 4.25Å; M361-I417 HydrophobicContact SD-CG1 3.39Å; M361-I417 WeakPolarHBondContact SD-CG1 3.37Å; M361-I417 HydrophobicContact SD-CG2 3.23Å; M361-I417 WeakPolarHBondContact SD-CG2 3.45Å; I374-I417 HydrophobicContact CD1-CG2 3.43Å; I374-I417 VanDerWaalsContact CD1-CG2 3.43Å; G413-I417 WeakPolarHBondContact O-CB 3.4Å; G413-I417 WeakPolarHBondContact O-CD1 3.41Å; G413-I417 WeakPolarHBondContact O-CG1 3.06Å; G413-I417 PolarHBondContact O-N 3.11Å; I414-I417 VanDerWaalsContact O-CB 3.31Å; I414-I417 WeakPolarHBondContact O-CB 3.49Å; I414-I417 WeakPolarHBondContact O-CG2 3.2Å; I414-I417 PolarHBondContact O-N 3.36Å; I417-L420 PolarHBondContact O-N 3.13Å; I417-I421 HydrophobicContact CG2-CD1 4.05Å; I417-I421 WeakPolarHBondContact O-CB 3.35Å; I417-I421 WeakPolarHBondContact O-CG1 3.38Å; I417-I421 PolarHBondContact O-N 3.32Å
418	Q	53.4	Low	50.5	Low	60 Å²	60	58 Å²	58	28%	0.28	30%	0.304	S	S	.	.	H	α-helix	trans	-65.8	-44.7	179.9	-169.9	62.3	51.3	0	0	110.3	I414 S415 L420 I421 D422	I414-Q418 VanDerWaalsContact O-CB 3.24Å; I414-Q418 WeakPolarHBondContact O-CB 3.37Å; I414-Q418 PolarHBondContact O-N 3.3Å; S415-Q418 PolarHBondContact O-N 3.44Å; Q418-L420 VanDerWaalsContact C-N 3.34Å; Q418-L420 PolarHBondContact O-N 3.28Å; Q418-I421 PolarHBondContact O-N 3.47Å; Q418-D422 PolarHBondContact NE2-OD1 2.93Å; Q418-D422 WeakPolarHBondContact O-CB 3.39Å; Q418-D422 PolarHBondContact O-N 2.77Å
419	Y	54	Low	51.6	Low	55 Å²	55	58.9 Å²	58.9	22%	0.216	31%	0.306	C	S	.	.	H	α-helix	trans	-56.7	-45.2	174	-175.5	-94.8	0	0	0	112.1	F257 S415 L416 D422 F423	F257-Y419 HydrophobicContact CD1-CE1 4.11Å; F257-Y419 AromaticContact CE1-CE1 3.74Å; F257-Y419 HydrophobicContact CE1-CE1 3.74Å; S415-Y419 VanDerWaalsContact O-CB 3.26Å; S415-Y419 WeakPolarHBondContact O-CB 3.47Å; S415-Y419 PolarHBondContact O-N 2.78Å; L416-Y419 PolarHBondContact O-N 3.07Å; Y419-D422 PolarHBondContact O-N 2.8Å; Y419-F423 HydrophobicContact CD1-CD2 4.27Å; Y419-F423 HydrophobicContact CD1-CE2 4.25Å; Y419-F423 HydrophobicContact CD2-CD2 4.42Å; Y419-F423 AromaticContact CD2-CE2 3.93Å; Y419-F423 HydrophobicContact CD2-CE2 3.93Å; Y419-F423 HydrophobicContact CE1-CD2 4.08Å; Y419-F423 AromaticContact CE1-CE2 3.75Å; Y419-F423 HydrophobicContact CE1-CE2 3.75Å; Y419-F423 HydrophobicContact CE1-CZ 4.22Å; Y419-F423 HydrophobicContact CE2-CD2 4.25Å; Y419-F423 AromaticContact CE2-CE2 3.39Å; Y419-F423 HydrophobicContact CE2-CE2 3.39Å; Y419-F423 HydrophobicContact CE2-CZ 4.03Å; Y419-F423 HydrophobicContact CG-CD2 4.44Å; Y419-F423 HydrophobicContact CG-CE2 4.33Å; Y419-F423 AromaticContact CZ-CE2 3.28Å; Y419-F423 AromaticContact CZ-CZ 3.61Å; Y419-F423 WeakPolarHBondContact O-CD2 3.41Å; Y419-F423 PolarHBondContact O-N 3.02Å; Y419-F423 WeakPolarHBondContact OH-CZ 3.17Å
420	L	50.9	Low	52.6	Low	22 Å²	22	59.3 Å²	59.3	12%	0.115	31%	0.306	C	S	.	.	H	α-helix	trans	-71.7	-33.6	179.1	-67.9	171	0	0	0	112.8	I358 L416 I417 Q418 L425	I358-L420 HydrophobicContact CG1-CD1 4.12Å; L416-L420 HydrophobicContact CD1-CD1 4.36Å; L416-L420 HydrophobicContact CD1-CG 4.47Å; L416-L420 HydrophobicContact CG-CD1 3.99Å; L416-L420 HydrophobicContact CG-CG 4.45Å; L416-L420 WeakPolarHBondContact O-CB 3.34Å; L416-L420 WeakPolarHBondContact O-CG 3.37Å; L416-L420 PolarHBondContact O-N 3.38Å; I417-L420 PolarHBondContact O-N 3.13Å; Q418-L420 VanDerWaalsContact C-N 3.34Å; Q418-L420 PolarHBondContact O-N 3.28Å; L420-L425 HydrophobicContact CD2-CD1 3.65Å
421	I	53.1	Low	53.6	Low	43 Å²	43	56.9 Å²	56.9	22%	0.221	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-45.5	172.5	-72.5	166.9	0	0	0	110.2	M361 I374 I417 Q418 F423 N424	M361-I421 HydrophobicContact SD-CD1 3.68Å; M361-I421 HydrophobicContact SD-CG1 3.89Å; I374-I421 HydrophobicContact CD1-CD1 4.11Å; I417-I421 HydrophobicContact CG2-CD1 4.05Å; I417-I421 WeakPolarHBondContact O-CB 3.35Å; I417-I421 WeakPolarHBondContact O-CG1 3.38Å; I417-I421 PolarHBondContact O-N 3.32Å; Q418-I421 PolarHBondContact O-N 3.47Å; I421-F423 VanDerWaalsContact C-N 3.26Å; I421-F423 PolarHBondContact O-N 2.84Å; I421-N424 PolarHBondContact O-N 2.74Å; I421-N424 VanDerWaalsContact O-N 3.08Å
422	D	55.7	Low	54.4	Low	108 Å²	108	60.3 Å²	60.3	58%	0.578	30%	0.302	S	S	*	.	H	α-helix	trans	-65.7	-29.4	-176.9	-66.9	-17.3	0	0	0	112.1	Q418 Y419 N424	Q418-D422 PolarHBondContact NE2-OD1 2.93Å; Q418-D422 WeakPolarHBondContact O-CB 3.39Å; Q418-D422 PolarHBondContact O-N 2.77Å; Y419-D422 PolarHBondContact O-N 2.8Å; D422-N424 VanDerWaalsContact C-N 3.29Å; D422-N424 PolarHBondContact O-N 3.13Å
423	F	55.8	Low	55.1	Low	76 Å²	76	55.9 Å²	55.9	33%	0.333	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-10	175.6	-88.9	-106.2	0	0	0	114.2	F257 I261 Y419 I421 L425	F257-F423 HydrophobicContact CD1-CE1 4.5Å; F257-F423 AromaticContact CE1-CD1 3.85Å; F257-F423 HydrophobicContact CE1-CD1 3.85Å; F257-F423 AromaticContact CE1-CE1 3.69Å; F257-F423 HydrophobicContact CE1-CE1 3.69Å; F257-F423 HydrophobicContact CE1-CG 4.4Å; F257-F423 HydrophobicContact CE1-CZ 4.1Å; F257-F423 HydrophobicContact CZ-CD1 4.22Å; F257-F423 HydrophobicContact CZ-CE1 4.47Å; I261-F423 HydrophobicContact CD1-CD1 4.21Å; I261-F423 HydrophobicContact CD1-CE1 4.03Å; Y419-F423 HydrophobicContact CD1-CD2 4.27Å; Y419-F423 HydrophobicContact CD1-CE2 4.25Å; Y419-F423 HydrophobicContact CD2-CD2 4.42Å; Y419-F423 AromaticContact CD2-CE2 3.93Å; Y419-F423 HydrophobicContact CD2-CE2 3.93Å; Y419-F423 HydrophobicContact CE1-CD2 4.08Å; Y419-F423 AromaticContact CE1-CE2 3.75Å; Y419-F423 HydrophobicContact CE1-CE2 3.75Å; Y419-F423 HydrophobicContact CE1-CZ 4.22Å; Y419-F423 HydrophobicContact CE2-CD2 4.25Å; Y419-F423 AromaticContact CE2-CE2 3.39Å; Y419-F423 HydrophobicContact CE2-CE2 3.39Å; Y419-F423 HydrophobicContact CE2-CZ 4.03Å; Y419-F423 HydrophobicContact CG-CD2 4.44Å; Y419-F423 HydrophobicContact CG-CE2 4.33Å; Y419-F423 AromaticContact CZ-CE2 3.28Å; Y419-F423 AromaticContact CZ-CZ 3.61Å; Y419-F423 WeakPolarHBondContact O-CD2 3.41Å; Y419-F423 PolarHBondContact O-N 3.02Å; Y419-F423 WeakPolarHBondContact OH-CZ 3.17Å; I421-F423 VanDerWaalsContact C-N 3.26Å; I421-F423 PolarHBondContact O-N 2.84Å; F423-L425 HydrophobicContact CB-CD2 4.12Å; F423-L425 HydrophobicContact CB-CG 3.96Å; F423-L425 PolarHBondContact O-N 2.84Å; F423-L425 VanDerWaalsContact O-N 3.13Å
424	N	57.8	Low	55.9	Low	123 Å²	123	55.9 Å²	55.9	66%	0.658	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.1	45.8	-179.8	-166.5	47	0	0	0	113.3	I421 D422	I421-N424 PolarHBondContact O-N 2.74Å; I421-N424 VanDerWaalsContact O-N 3.08Å; D422-N424 VanDerWaalsContact C-N 3.29Å; D422-N424 PolarHBondContact O-N 3.13Å
425	L	56.2	Low	56.5	Low	22 Å²	22	56.8 Å²	56.8	12%	0.115	28%	0.283	C	S	.	.			trans	-58.9	136.9	-174.2	-67.1	171.7	0	0	0	111.6	F257 L420 F423 E429 I430	F257-L425 HydrophobicContact CZ-CD1 4.42Å; F257-L425 HydrophobicContact CZ-CD2 4.23Å; L420-L425 HydrophobicContact CD2-CD1 3.65Å; F423-L425 HydrophobicContact CB-CD2 4.12Å; F423-L425 HydrophobicContact CB-CG 3.96Å; F423-L425 PolarHBondContact O-N 2.84Å; F423-L425 VanDerWaalsContact O-N 3.13Å; L425-E429 VanDerWaalsContact CA-OE2 3.3Å; L425-E429 WeakPolarHBondContact CA-OE2 3.43Å; L425-E429 HydrophobicContact CB-CB 4.11Å; L425-E429 HydrophobicContact CD2-CB 4.04Å; L425-E429 WeakPolarHBondContact CD2-OE2 3.44Å; L425-I430 HydrophobicContact CB-CD1 4.5Å; L425-I430 HydrophobicContact CB-CG1 3.9Å
426	A	58.8	Low	56.7	Low	43 Å²	43	55.9 Å²	55.9	36%	0.355	27%	0.269	S	S	.	.			trans	-64.1	157.3	170.9	0	0	0	0	0	110.4	E428 E429 I430	A426-E428 WeakPolarHBondContact CB-OE2 3.18Å; A426-E428 PolarHBondContact O-N 3.21Å; A426-E428 VanDerWaalsContact O-N 3.13Å; A426-E429 HydrophobicContact CB-CG 4.2Å; A426-E429 PolarHBondContact N-OE2 3.24Å; A426-E429 WeakPolarHBondContact O-CB 3.43Å; A426-E429 PolarHBondContact O-N 2.98Å; A426-I430 PolarHBondContact O-N 3.35Å; A426-I430 VanDerWaalsContact O-N 3.12Å
427	K	57.6	Low	57	Low	91 Å²	91	55.6 Å²	55.6	40%	0.396	27%	0.267	S	S	.	.	H	α-helix	trans	-56.6	-35.2	-178.4	-173.7	-178.5	177.8	-172.6	0	111.4	E429 I430 E431	K427-E429 VanDerWaalsContact C-N 3.34Å; K427-I430 PolarHBondContact O-N 3.43Å; K427-E431 WeakPolarHBondContact O-CG 3.28Å; K427-E431 PolarHBondContact O-N 3.24Å
428	E	55.8	Low	57.4	Low	105 Å²	105	55.4 Å²	55.4	49%	0.491	27%	0.266	S	S	.	.	H	α-helix	trans	-64	-38.9	177.5	-59.1	70.1	-161	0	0	112.4	F287 A426 Y432	F287-E428 HydrophobicContact CE1-CG 4.09Å; F287-E428 HydrophobicContact CE2-CG 4.18Å; F287-E428 HydrophobicContact CZ-CB 3.96Å; F287-E428 HydrophobicContact CZ-CG 3.57Å; A426-E428 WeakPolarHBondContact CB-OE2 3.18Å; A426-E428 PolarHBondContact O-N 3.21Å; A426-E428 VanDerWaalsContact O-N 3.13Å; E428-Y432 PolarHBondContact O-N 3Å; E428-Y432 VanDerWaalsContact O-N 3.16Å
429	E	58.3	Low	57.3	Low	92 Å²	92	53.7 Å²	53.7	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-73.5	-37.8	-179.5	-61.6	175.9	138.6	0	0	111	L425 A426 K427 Y432 V433	L425-E429 VanDerWaalsContact CA-OE2 3.3Å; L425-E429 WeakPolarHBondContact CA-OE2 3.43Å; L425-E429 HydrophobicContact CB-CB 4.11Å; L425-E429 HydrophobicContact CD2-CB 4.04Å; L425-E429 WeakPolarHBondContact CD2-OE2 3.44Å; A426-E429 HydrophobicContact CB-CG 4.2Å; A426-E429 PolarHBondContact N-OE2 3.24Å; A426-E429 WeakPolarHBondContact O-CB 3.43Å; A426-E429 PolarHBondContact O-N 2.98Å; K427-E429 VanDerWaalsContact C-N 3.34Å; E429-Y432 PolarHBondContact O-N 2.79Å; E429-V433 VanDerWaalsContact O-CG2 3.29Å; E429-V433 WeakPolarHBondContact O-CG2 3.46Å; E429-V433 PolarHBondContact O-N 3.24Å
430	I	60.5	Low	57	Low	34 Å²	34	52.2 Å²	52.2	17%	0.174	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-46.3	174.7	-65.2	172.6	0	0	0	110.9	I358 E362 L425 A426 K427 Y432 V433 K434	I358-I430 HydrophobicContact CG2-CG2 3.96Å; E362-I430 HydrophobicContact CG-CG2 4.26Å; L425-I430 HydrophobicContact CB-CD1 4.5Å; L425-I430 HydrophobicContact CB-CG1 3.9Å; A426-I430 PolarHBondContact O-N 3.35Å; A426-I430 VanDerWaalsContact O-N 3.12Å; K427-I430 PolarHBondContact O-N 3.43Å; I430-Y432 VanDerWaalsContact C-N 3.31Å; I430-Y432 PolarHBondContact O-N 3.13Å; I430-V433 PolarHBondContact O-N 3.25Å; I430-K434 WeakPolarHBondContact O-CG 3.4Å; I430-K434 PolarHBondContact O-N 3.2Å
431	E	60.8	Low	56.7	Low	14 Å²	14	53.9 Å²	53.9	7%	0.065	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-39.6	177.4	-72.4	-61.6	133.4	0	0	111.9	W326 H330 K427 K434 F435	W326-E431 PolarHBondContact NE1-OE2 3.36Å; H330-E431 IonicContact CE1-OE2 2.95Å; H330-E431 IonicContact NE2-OE2 2.92Å; K427-E431 WeakPolarHBondContact O-CG 3.28Å; K427-E431 PolarHBondContact O-N 3.24Å; E431-K434 PolarHBondContact O-N 3.28Å; E431-K434 IonicContact OE1-NZ 3.39Å; E431-K434 PolarHBondContact OE1-NZ 3.24Å; E431-F435 PolarHBondContact O-N 3.09Å
432	Y	59.7	Low	56.1	Low	137 Å²	137	53.9 Å²	53.9	54%	0.537	27%	0.269	S	S	.	.	H	α-helix	trans	-63.5	-43.6	173.9	-179.1	-101	0	0	0	112.2	E428 E429 I430 F435 K436	E428-Y432 PolarHBondContact O-N 3Å; E428-Y432 VanDerWaalsContact O-N 3.16Å; E429-Y432 PolarHBondContact O-N 2.79Å; I430-Y432 VanDerWaalsContact C-N 3.31Å; I430-Y432 PolarHBondContact O-N 3.13Å; Y432-F435 PolarHBondContact O-N 2.8Å; Y432-K436 HydrophobicContact CE1-CG 4.01Å; Y432-K436 WeakPolarHBondContact O-CB 3.29Å; Y432-K436 PolarHBondContact O-N 3.27Å
433	V	59.5	Low	55.1	Low	8 Å²	8	56 Å²	56	5%	0.048	28%	0.279	C	S	.	.	H	α-helix	trans	-61.5	-45.3	177.1	167.1	0	0	0	0	111.3	F253 F257 I358 E429 I430 F435 K436 I437	F253-V433 HydrophobicContact CZ-CG1 4Å; F257-V433 HydrophobicContact CE2-CG2 4.1Å; I358-V433 HydrophobicContact CD1-CG1 3.84Å; E429-V433 VanDerWaalsContact O-CG2 3.29Å; E429-V433 WeakPolarHBondContact O-CG2 3.46Å; E429-V433 PolarHBondContact O-N 3.24Å; I430-V433 PolarHBondContact O-N 3.25Å; V433-F435 VanDerWaalsContact C-N 3.34Å; V433-F435 PolarHBondContact O-N 3.18Å; V433-K436 PolarHBondContact O-N 3.37Å; V433-I437 HydrophobicContact CG1-CD1 3.56Å; V433-I437 HydrophobicContact CG1-CG1 4.42Å; V433-I437 WeakPolarHBondContact O-CB 3.15Å; V433-I437 WeakPolarHBondContact O-CG1 2.85Å; V433-I437 PolarHBondContact O-N 2.79Å
434	K	63.9	Low	54	Low	2 Å²	2	60.5 Å²	60.5	1%	0.009	31%	0.307	C	S	.	.	H	α-helix	trans	-56.8	-47.7	174.2	-69.2	174.7	-175.3	169.6	0	111.6	W326 L355 I358 E362 I430 E431 I437 F438	W326-K434 HydrophobicContact CD2-CD 4.41Å; W326-K434 HydrophobicContact CH2-CB 3.66Å; W326-K434 HydrophobicContact CZ2-CB 3.47Å; W326-K434 VanDerWaalsContact CZ2-CB 3.47Å; W326-K434 HydrophobicContact CZ2-CD 4.01Å; W326-K434 HydrophobicContact CZ2-CG 4.42Å; W326-K434 HydrophobicContact CZ3-CB 4.44Å; L355-K434 HydrophobicContact CD2-CB 3.99Å; L355-K434 HydrophobicContact CD2-CG 4.34Å; L355-K434 WeakPolarHBondContact CD2-O 3.26Å; I358-K434 HydrophobicContact CB-CG 4.44Å; I358-K434 HydrophobicContact CD1-CG 4.31Å; I358-K434 HydrophobicContact CG2-CD 4.22Å; I358-K434 HydrophobicContact CG2-CG 3.66Å; E362-K434 VanDerWaalsContact CD-CE 3.45Å; E362-K434 VanDerWaalsContact OE1-CE 3.29Å; E362-K434 WeakPolarHBondContact OE1-CE 3.29Å; E362-K434 IonicContact OE1-NZ 2.79Å; E362-K434 PolarHBondContact OE1-NZ 3.41Å; E362-K434 WeakPolarHBondContact OE2-CE 3.41Å; E362-K434 IonicContact OE2-NZ 2.75Å; E362-K434 PolarHBondContact OE2-NZ 3.31Å; I430-K434 WeakPolarHBondContact O-CG 3.4Å; I430-K434 PolarHBondContact O-N 3.2Å; E431-K434 PolarHBondContact O-N 3.28Å; E431-K434 IonicContact OE1-NZ 3.39Å; E431-K434 PolarHBondContact OE1-NZ 3.24Å; K434-I437 PolarHBondContact O-N 2.94Å; K434-F438 WeakPolarHBondContact O-CB 3.43Å; K434-F438 PolarHBondContact O-N 2.71Å
435	F	60	Low	52.7	Low	50 Å²	50	56.9 Å²	56.9	22%	0.219	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-48.2	178	-178.4	-95.6	0	0	0	111.7	Y282 F331 E431 Y432 V433 I437 F438 T439	Y282-F435 WeakPolarHBondContact OH-CE2 2.84Å; F331-F435 HydrophobicContact CE1-CE2 4.29Å; F331-F435 HydrophobicContact CZ-CD2 4.22Å; F331-F435 HydrophobicContact CZ-CE2 4.29Å; E431-F435 PolarHBondContact O-N 3.09Å; Y432-F435 PolarHBondContact O-N 2.8Å; V433-F435 VanDerWaalsContact C-N 3.34Å; V433-F435 PolarHBondContact O-N 3.18Å; F435-I437 PolarHBondContact O-N 2.94Å; F435-F438 PolarHBondContact O-N 3.32Å; F435-T439 HydrophobicContact CD1-CG2 4.3Å; F435-T439 HydrophobicContact CD2-CG2 4.35Å; F435-T439 HydrophobicContact CE1-CG2 3.97Å; F435-T439 HydrophobicContact CE2-CG2 4.03Å; F435-T439 HydrophobicContact CG-CG2 4.49Å; F435-T439 HydrophobicContact CZ-CG2 3.83Å; F435-T439 WeakPolarHBondContact O-CB 3.36Å; F435-T439 VanDerWaalsContact O-CG2 3.26Å; F435-T439 WeakPolarHBondContact O-CG2 3.4Å; F435-T439 PolarHBondContact O-N 2.93Å; F435-T439 PolarHBondContact O-OG1 3.46Å
436	K	56.4	Low	51.8	Low	61 Å²	61	63.7 Å²	63.7	27%	0.265	33%	0.326	S	S	.	.	H	α-helix	trans	-58.5	-45.3	176.1	-106.6	-90.4	-172.5	167.5	0	112.1	D256 Y432 V433 T439 A440	D256-K436 IonicContact OD2-NZ 2.77Å; D256-K436 PolarHBondContact OD2-NZ 3.34Å; Y432-K436 HydrophobicContact CE1-CG 4.01Å; Y432-K436 WeakPolarHBondContact O-CB 3.29Å; Y432-K436 PolarHBondContact O-N 3.27Å; V433-K436 PolarHBondContact O-N 3.37Å; K436-T439 WeakPolarHBondContact CA-OG1 3.41Å; K436-T439 CarbonylContact O-C 3.55Å; K436-T439 PolarHBondContact O-N 3.32Å; K436-T439 PolarHBondContact O-OG1 2.84Å; K436-A440 WeakPolarHBondContact O-CA 3.34Å; K436-A440 VanDerWaalsContact O-CB 3.26Å; K436-A440 WeakPolarHBondContact O-CB 3.34Å; K436-A440 PolarHBondContact O-N 2.78Å
437	I	58.4	Low	50.7	Low	12 Å²	12	67.8 Å²	67.8	6%	0.062	34%	0.336	C	S	.	.	H	α-helix	trans	-65.4	-42.1	179.7	-74.7	165.4	0	0	0	111.9	F253 N351 F354 L355 I358 V433 K434 F435 T439	F253-I437 HydrophobicContact CE2-CD1 4.42Å; F253-I437 HydrophobicContact CE2-CG1 4.01Å; F253-I437 HydrophobicContact CZ-CD1 4.42Å; F253-I437 HydrophobicContact CZ-CG1 4.49Å; N351-I437 HydrophobicContact CB-CG2 3.58Å; N351-I437 PolarHBondContact ND2-O 3.21Å; F354-I437 HydrophobicContact CB-CD1 4.47Å; F354-I437 HydrophobicContact CB-CG2 3.63Å; L355-I437 HydrophobicContact CD2-CG2 4.27Å; L355-I437 HydrophobicContact CG-CG2 4.03Å; I358-I437 HydrophobicContact CD1-CD1 3.25Å; V433-I437 HydrophobicContact CG1-CD1 3.56Å; V433-I437 HydrophobicContact CG1-CG1 4.42Å; V433-I437 WeakPolarHBondContact O-CB 3.15Å; V433-I437 WeakPolarHBondContact O-CG1 2.85Å; V433-I437 PolarHBondContact O-N 2.79Å; K434-I437 PolarHBondContact O-N 2.94Å; F435-I437 PolarHBondContact O-N 2.94Å; I437-T439 VanDerWaalsContact C-N 3.32Å
438	F	57.8	Low	49.7	Very low	5 Å²	5	65.1 Å²	65.1	2%	0.022	33%	0.328	C	S	.	.	H	α-helix	trans	-65.1	-38.7	176.7	-172.5	-86.4	0	0	0	111.4	W326 I327 F331 L355 K434 F435 I450	W326-F438 HydrophobicContact CZ3-CB 4.42Å; W326-F438 HydrophobicContact CZ3-CD2 4.47Å; I327-F438 HydrophobicContact CB-CE2 4.42Å; I327-F438 HydrophobicContact CD1-CD2 4.38Å; I327-F438 HydrophobicContact CD1-CE2 3.91Å; I327-F438 HydrophobicContact CG1-CD2 4.13Å; I327-F438 HydrophobicContact CG1-CE2 3.78Å; I327-F438 HydrophobicContact CG2-CE2 3.77Å; I327-F438 HydrophobicContact CG2-CZ 3.86Å; F331-F438 HydrophobicContact CD1-CD1 4.45Å; F331-F438 HydrophobicContact CD1-CE1 4Å; F331-F438 HydrophobicContact CD2-CD1 4.45Å; F331-F438 HydrophobicContact CD2-CE1 4.07Å; F331-F438 HydrophobicContact CD2-CZ 4.38Å; F331-F438 AromaticContact CE1-CD1 3.53Å; F331-F438 HydrophobicContact CE1-CD1 3.53Å; F331-F438 AromaticContact CE1-CE1 3.5Å; F331-F438 HydrophobicContact CE1-CE1 3.5Å; F331-F438 VanDerWaalsContact CE1-CE1 3.5Å; F331-F438 AromaticContact CE2-CD1 3.53Å; F331-F438 HydrophobicContact CE2-CD1 3.53Å; F331-F438 HydrophobicContact CE2-CD2 4.42Å; F331-F438 AromaticContact CE2-CE1 3.58Å; F331-F438 HydrophobicContact CE2-CE1 3.58Å; F331-F438 AromaticContact CE2-CG 3.97Å; F331-F438 HydrophobicContact CE2-CG 3.97Å; F331-F438 HydrophobicContact CE2-CZ 4.1Å; F331-F438 HydrophobicContact CG-CE1 4.28Å; F331-F438 HydrophobicContact CZ-CB 4.29Å; F331-F438 AromaticContact CZ-CD1 2.99Å; F331-F438 HydrophobicContact CZ-CD1 2.99Å; F331-F438 AromaticContact CZ-CE1 3.3Å; F331-F438 HydrophobicContact CZ-CE1 3.3Å; F331-F438 AromaticContact CZ-CG 3.73Å; F331-F438 HydrophobicContact CZ-CG 3.73Å; F331-F438 HydrophobicContact CZ-CZ 4.25Å; L355-F438 HydrophobicContact CD1-CB 4.03Å; L355-F438 HydrophobicContact CD1-CD2 3.53Å; L355-F438 HydrophobicContact CD1-CG 4.26Å; L355-F438 HydrophobicContact CD2-CB 4.45Å; K434-F438 WeakPolarHBondContact O-CB 3.43Å; K434-F438 PolarHBondContact O-N 2.71Å; F435-F438 PolarHBondContact O-N 3.32Å; F438-I450 HydrophobicContact CE1-CD1 3.87Å; F438-I450 HydrophobicContact CE1-CG1 4.37Å; F438-I450 HydrophobicContact CZ-CD1 3.7Å; F438-I450 HydrophobicContact CZ-CG1 4.44Å
439	T	52	Low	48.8	Very low	25 Å²	25	61.9 Å²	61.9	15%	0.153	32%	0.315	C	S	.	.	H	α-helix	trans	-88.6	-9.4	-178.3	57.9	0	0	0	0	114.8	F331 F435 K436 I437 N441 N442 P448	F331-T439 HydrophobicContact CE1-CG2 4.4Å; F435-T439 HydrophobicContact CD1-CG2 4.3Å; F435-T439 HydrophobicContact CD2-CG2 4.35Å; F435-T439 HydrophobicContact CE1-CG2 3.97Å; F435-T439 HydrophobicContact CE2-CG2 4.03Å; F435-T439 HydrophobicContact CG-CG2 4.49Å; F435-T439 HydrophobicContact CZ-CG2 3.83Å; F435-T439 WeakPolarHBondContact O-CB 3.36Å; F435-T439 VanDerWaalsContact O-CG2 3.26Å; F435-T439 WeakPolarHBondContact O-CG2 3.4Å; F435-T439 PolarHBondContact O-N 2.93Å; F435-T439 PolarHBondContact O-OG1 3.46Å; K436-T439 WeakPolarHBondContact CA-OG1 3.41Å; K436-T439 CarbonylContact O-C 3.55Å; K436-T439 PolarHBondContact O-N 3.32Å; K436-T439 PolarHBondContact O-OG1 2.84Å; I437-T439 VanDerWaalsContact C-N 3.32Å; T439-N441 PolarHBondContact O-N 3.13Å; T439-N442 WeakPolarHBondContact O-CA 3.36Å; T439-N442 WeakPolarHBondContact O-CB 3.26Å; T439-N442 PolarHBondContact O-N 3.42Å; T439-P448 HydrophobicContact CG2-CB 4.07Å; T439-P448 HydrophobicContact CG2-CG 3.9Å
440	A	48.2	Very low	48	Very low	24 Å²	24	58.5 Å²	58.5	20%	0.198	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.2	-172.7	0	0	0	0	0	113.9	K436 N442 L443	K436-A440 WeakPolarHBondContact O-CA 3.34Å; K436-A440 VanDerWaalsContact O-CB 3.26Å; K436-A440 WeakPolarHBondContact O-CB 3.34Å; K436-A440 PolarHBondContact O-N 2.78Å; A440-N442 VanDerWaalsContact C-N 3.35Å; A440-L443 WeakPolarHBondContact O-CD1 3.44Å; A440-L443 WeakPolarHBondContact O-CG 3.5Å
441	N	44.4	Very low	47	Very low	56 Å²	56	59.4 Å²	59.4	30%	0.299	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-0.7	176.6	-63.9	-22.5	0	0	0	113.5	Y245 N349 T439	Y245-N441 PolarHBondContact OH-OD1 2.86Å; N349-N441 PolarHBondContact O-ND2 3.11Å; T439-N441 PolarHBondContact O-N 3.13Å
442	N	40.2	Very low	45.8	Very low	43 Å²	43	65.6 Å²	65.6	23%	0.23	33%	0.334	C	S	.	.			trans	-108.1	43.1	176.7	-72.4	-23.4	0	0	0	111.8	T439 A440 N444 S445 P448	T439-N442 WeakPolarHBondContact O-CA 3.36Å; T439-N442 WeakPolarHBondContact O-CB 3.26Å; T439-N442 PolarHBondContact O-N 3.42Å; A440-N442 VanDerWaalsContact C-N 3.35Å; N442-N444 PolarHBondContact O-N 3.04Å; N442-S445 PolarHBondContact O-N 3.4Å; N442-P448 WeakPolarHBondContact ND2-CB 3.4Å
443	L	34.8	Very low	44.7	Very low	153 Å²	153	62.8 Å²	62.8	80%	0.801	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-3.5	-174.8	-86.8	156.3	0	0	0	115.9	A440	A440-L443 WeakPolarHBondContact O-CD1 3.44Å; A440-L443 WeakPolarHBondContact O-CG 3.5Å
444	N	32.4	Very low	43.9	Very low	170 Å²	170	63 Å²	63	91%	0.909	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.9	6.3	-178.2	-67.9	-19	0	0	0	115.3	N442	N442-N444 PolarHBondContact O-N 3.04Å
445	S	31.1	Very low	42.8	Very low	47 Å²	47	63.9 Å²	63.9	33%	0.329	34%	0.34	S	S	.	.			trans	-125.3	122	-177.7	61.3	0	0	0	0	113	N442 K447	N442-S445 PolarHBondContact O-N 3.4Å; S445-K447 PolarHBondContact O-N 3.4Å; S445-K447 VanDerWaalsContact O-N 3.13Å; S445-K447 PolarHBondContact OG-O 2.92Å
446	I	36.4	Very low	41.7	Very low	166 Å²	166	67 Å²	67	85%	0.851	35%	0.354	S	S	*	.	S	Bend	trans	-63.5	-15.8	180	-62	165.1	0	0	0	112.5
447	K	36.8	Very low	41.4	Very low	128 Å²	128	65.2 Å²	65.2	56%	0.557	35%	0.349	S	S	*	.	S	Bend	trans	-131.2	124.5	167.8	-73.4	-179.2	176.5	-180	0	108.8	S445 T449	S445-K447 PolarHBondContact O-N 3.4Å; S445-K447 VanDerWaalsContact O-N 3.13Å; S445-K447 PolarHBondContact OG-O 2.92Å; K447-T449 HydrophobicContact CB-CG2 4.46Å; K447-T449 PolarHBondContact O-N 3.46Å
448	P	36.2	Very low	41	Very low	36 Å²	36	64.9 Å²	64.9	23%	0.234	35%	0.347	C	S	.	.			trans	-68.5	114.2	171.4	27.3	-31.1	0	0	0	108.8	F331 T439 N442	F331-P448 HydrophobicContact CD1-CG 4.08Å; F331-P448 HydrophobicContact CE1-CB 4.2Å; F331-P448 HydrophobicContact CE1-CG 3.67Å; T439-P448 HydrophobicContact CG2-CB 4.07Å; T439-P448 HydrophobicContact CG2-CG 3.9Å; N442-P448 WeakPolarHBondContact ND2-CB 3.4Å
449	T	36.1	Very low	40.7	Very low	37 Å²	37	68 Å²	68	23%	0.227	36%	0.362	C	S	.	.			trans	-103.5	99.5	-175.9	49.6	0	0	0	0	109.4	M336 I345 K447 N451	M336-T449 HydrophobicContact CE-CG2 3.06Å; I345-T449 VanDerWaalsContact CD1-C 3.49Å; I345-T449 WeakPolarHBondContact CD1-O 3.24Å; I345-T449 WeakPolarHBondContact CG1-O 3.45Å; K447-T449 HydrophobicContact CB-CG2 4.46Å; K447-T449 PolarHBondContact O-N 3.46Å; T449-N451 PolarHBondContact O-N 2.89Å
450	I	43.1	Very low	40.7	Very low	21 Å²	21	68.8 Å²	68.8	11%	0.108	37%	0.365	C	S	.	.			trans	-79.5	119.9	172	-50.7	169.5	0	0	0	107	F331 I345 F438 T454 I455	F331-I450 HydrophobicContact CB-CD1 3.89Å; F331-I450 HydrophobicContact CD1-CD1 4.05Å; F331-I450 HydrophobicContact CD2-CD1 4.46Å; F331-I450 HydrophobicContact CG-CD1 3.85Å; I345-I450 HydrophobicContact CB-CG2 4.42Å; I345-I450 HydrophobicContact CD1-CB 4.14Å; I345-I450 HydrophobicContact CD1-CG1 3.64Å; F438-I450 HydrophobicContact CE1-CD1 3.87Å; F438-I450 HydrophobicContact CE1-CG1 4.37Å; F438-I450 HydrophobicContact CZ-CD1 3.7Å; F438-I450 HydrophobicContact CZ-CG1 4.44Å; I450-T454 HydrophobicContact CG2-CG2 3.58Å; I450-I455 HydrophobicContact CB-CD1 4.33Å; I450-I455 HydrophobicContact CB-CG1 4.12Å; I450-I455 HydrophobicContact CG2-CD1 4.33Å; I450-I455 HydrophobicContact CG2-CG1 3.65Å; I450-I455 WeakPolarHBondContact O-CD1 3.35Å
451	N	38.4	Very low	41.2	Very low	52 Å²	52	69.9 Å²	69.9	28%	0.278	36%	0.364	S	S	.	.			trans	-66.9	154.3	177.8	89.4	22.7	0	0	0	110.6	T449 S453 T454 I455	T449-N451 PolarHBondContact O-N 2.89Å; N451-S453 PolarHBondContact O-N 2.92Å; N451-S453 VanDerWaalsContact O-N 3.15Å; N451-S453 VanDerWaalsContact OD1-CA 3.22Å; N451-S453 WeakPolarHBondContact OD1-CA 3.39Å; N451-S453 WeakPolarHBondContact OD1-CB 3.4Å; N451-S453 PolarHBondContact OD1-N 2.88Å; N451-T454 PolarHBondContact O-N 2.85Å; N451-T454 PolarHBondContact OD1-N 2.88Å; N451-T454 PolarHBondContact OD1-OG1 3.22Å; N451-I455 WeakPolarHBondContact O-CG1 3.36Å; N451-I455 PolarHBondContact O-N 2.8Å
452	Q	35.7	Very low	42	Very low	144 Å²	144	68.8 Å²	68.8	67%	0.673	36%	0.356	S	S	*	.	H	α-helix	trans	-56.2	-29.3	178.7	-81.3	-177	-19.2	0	0	114.1	I455 F456	Q452-I455 PolarHBondContact O-N 3.27Å; Q452-F456 VanDerWaalsContact O-CB 3.28Å; Q452-F456 WeakPolarHBondContact O-CB 3.45Å; Q452-F456 PolarHBondContact O-N 3.09Å
453	S	37.2	Very low	43	Very low	78 Å²	78	70.4 Å²	70.4	55%	0.545	36%	0.364	S	S	.	.	H	α-helix	trans	-71.7	-36.1	176.8	170.4	0	0	0	0	112.5	N451 S457	N451-S453 PolarHBondContact O-N 2.92Å; N451-S453 VanDerWaalsContact O-N 3.15Å; N451-S453 VanDerWaalsContact OD1-CA 3.22Å; N451-S453 WeakPolarHBondContact OD1-CA 3.39Å; N451-S453 WeakPolarHBondContact OD1-CB 3.4Å; N451-S453 PolarHBondContact OD1-N 2.88Å; S453-S457 VanDerWaalsContact O-CB 3.29Å; S453-S457 WeakPolarHBondContact O-CB 3.42Å; S453-S457 PolarHBondContact O-N 3.17Å
454	T	42.3	Very low	44.4	Very low	13 Å²	13	63.8 Å²	63.8	8%	0.08	33%	0.33	C	S	.	.	H	α-helix	trans	-70.3	-39.4	173.3	-55.9	0	0	0	0	110.1	I345 L347 I450 N451 S457 I458	I345-T454 HydrophobicContact CB-CG2 4.32Å; I345-T454 HydrophobicContact CG2-CG2 4.18Å; I345-T454 WeakPolarHBondContact O-CB 3.5Å; I345-T454 WeakPolarHBondContact O-CG2 3.44Å; I345-T454 PolarHBondContact O-OG1 2.81Å; L347-T454 HydrophobicContact CD1-CG2 3.58Å; I450-T454 HydrophobicContact CG2-CG2 3.58Å; N451-T454 PolarHBondContact O-N 2.85Å; N451-T454 PolarHBondContact OD1-N 2.88Å; N451-T454 PolarHBondContact OD1-OG1 3.22Å; T454-S457 WeakPolarHBondContact O-CB 3.4Å; T454-S457 PolarHBondContact O-N 2.95Å; T454-I458 HydrophobicContact CG2-CD1 4.23Å; T454-I458 VanDerWaalsContact O-CG1 3.24Å; T454-I458 WeakPolarHBondContact O-CG1 3.3Å; T454-I458 PolarHBondContact O-N 3.14Å
455	I	41.5	Very low	45.9	Very low	21 Å²	21	56.2 Å²	56.2	11%	0.108	29%	0.289	C	S	.	.	H	α-helix	trans	-62.1	-48	174.1	-64.9	161.4	0	0	0	110.6	F333 I450 N451 Q452 S457 I458 H459	F333-I455 HydrophobicContact CD1-CD1 3.15Å; F333-I455 HydrophobicContact CD1-CG1 3.76Å; F333-I455 HydrophobicContact CD1-CG2 4.34Å; F333-I455 HydrophobicContact CE1-CB 4.38Å; F333-I455 HydrophobicContact CE1-CD1 3.45Å; F333-I455 VanDerWaalsContact CE1-CD1 3.45Å; F333-I455 HydrophobicContact CE1-CG1 3.46Å; F333-I455 VanDerWaalsContact CE1-CG1 3.46Å; F333-I455 HydrophobicContact CE1-CG2 4.01Å; F333-I455 HydrophobicContact CG-CD1 4.07Å; F333-I455 HydrophobicContact CZ-CG1 4.32Å; F333-I455 HydrophobicContact CZ-CG2 4.13Å; I450-I455 HydrophobicContact CB-CD1 4.33Å; I450-I455 HydrophobicContact CB-CG1 4.12Å; I450-I455 HydrophobicContact CG2-CD1 4.33Å; I450-I455 HydrophobicContact CG2-CG1 3.65Å; I450-I455 WeakPolarHBondContact O-CD1 3.35Å; N451-I455 WeakPolarHBondContact O-CG1 3.36Å; N451-I455 PolarHBondContact O-N 2.8Å; Q452-I455 PolarHBondContact O-N 3.27Å; I455-S457 VanDerWaalsContact C-N 3.29Å; I455-S457 PolarHBondContact O-N 3.43Å; I455-I458 PolarHBondContact O-N 2.91Å; I455-H459 PolarHBondContact O-CD2 2.85Å; I455-H459 PolarHBondContact O-N 3.38Å
456	F	36.6	Very low	47.6	Very low	116 Å²	116	57 Å²	57	51%	0.509	29%	0.288	S	S	.	.	H	α-helix	trans	-58.7	-42.5	175.1	-171.5	-98.3	0	0	0	111.3	Q452 I458 H459 L460	Q452-F456 VanDerWaalsContact O-CB 3.28Å; Q452-F456 WeakPolarHBondContact O-CB 3.45Å; Q452-F456 PolarHBondContact O-N 3.09Å; F456-I458 PolarHBondContact O-N 3.49Å; F456-H459 PolarHBondContact O-N 3.17Å; F456-L460 HydrophobicContact CE1-CD2 4.29Å; F456-L460 WeakPolarHBondContact O-CB 3.46Å; F456-L460 PolarHBondContact O-N 2.79Å
457	S	50	Low	49.1	Very low	22 Å²	22	54.9 Å²	54.9	15%	0.154	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-38.3	175.7	-176.8	0	0	0	0	113	S453 T454 I455 R461	S453-S457 VanDerWaalsContact O-CB 3.29Å; S453-S457 WeakPolarHBondContact O-CB 3.42Å; S453-S457 PolarHBondContact O-N 3.17Å; T454-S457 WeakPolarHBondContact O-CB 3.4Å; T454-S457 PolarHBondContact O-N 2.95Å; I455-S457 VanDerWaalsContact C-N 3.29Å; I455-S457 PolarHBondContact O-N 3.43Å; S457-R461 WeakPolarHBondContact O-CB 3.31Å; S457-R461 WeakPolarHBondContact O-CD 3.02Å; S457-R461 WeakPolarHBondContact O-CG 3.38Å; S457-R461 PolarHBondContact O-N 3Å; S457-R461 PolarHBondContact O-NE 2.75Å; S457-R461 PolarHBondContact OG-NE 2.97Å; S457-R461 PolarHBondContact OG-NH2 3.45Å
458	I	49.7	Very low	50.6	Low	5 Å²	5	48.9 Å²	48.9	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-68.5	-48.8	175.1	-64.8	161.1	0	0	0	110.6	I324 I327 L328 L347 T454 I455 F456 R461 Y462	I324-I458 HydrophobicContact CG2-CG2 3.6Å; I327-I458 HydrophobicContact CG2-CD1 4.16Å; L328-I458 HydrophobicContact CD2-CG2 3.85Å; L328-I458 HydrophobicContact CG-CG2 4.25Å; L347-I458 HydrophobicContact CD1-CD1 3.42Å; L347-I458 VanDerWaalsContact CD1-CD1 3.42Å; L347-I458 HydrophobicContact CD1-CG1 3.43Å; L347-I458 VanDerWaalsContact CD1-CG1 3.43Å; L347-I458 HydrophobicContact CD2-CD1 4.47Å; L347-I458 HydrophobicContact CD2-CG1 3.59Å; L347-I458 HydrophobicContact CG-CG1 4.16Å; T454-I458 HydrophobicContact CG2-CD1 4.23Å; T454-I458 VanDerWaalsContact O-CG1 3.24Å; T454-I458 WeakPolarHBondContact O-CG1 3.3Å; T454-I458 PolarHBondContact O-N 3.14Å; I455-I458 PolarHBondContact O-N 2.91Å; F456-I458 PolarHBondContact O-N 3.49Å; I458-R461 PolarHBondContact O-N 2.83Å; I458-Y462 PolarHBondContact O-N 3.08Å
459	H	51.2	Low	52.2	Low	72 Å²	72	48.7 Å²	48.7	33%	0.333	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-45.8	178.4	-85.6	-75.2	0	0	0	111.8	L328 I455 F456 R461 Y462 D463	L328-H459 VanDerWaalsContact CD2-NE2 3.31Å; L328-H459 WeakPolarHBondContact CD2-NE2 3.35Å; I455-H459 PolarHBondContact O-CD2 2.85Å; I455-H459 PolarHBondContact O-N 3.38Å; F456-H459 PolarHBondContact O-N 3.17Å; H459-R461 VanDerWaalsContact C-N 3.29Å; H459-R461 PolarHBondContact O-N 3.43Å; H459-Y462 WeakPolarHBondContact O-CB 3.42Å; H459-Y462 PolarHBondContact O-N 3.33Å; H459-Y462 VanDerWaalsContact O-N 3.17Å; H459-D463 WeakPolarHBondContact O-CB 3.39Å; H459-D463 PolarHBondContact O-N 2.89Å
460	L	52	Low	54	Low	40 Å²	40	50.5 Å²	50.5	21%	0.209	25%	0.249	C	C	.	.	H	α-helix	trans	-59.2	-43.1	176.6	-171.8	71.5	0	0	0	110.5	F456 D463 L464 E499	F456-L460 HydrophobicContact CE1-CD2 4.29Å; F456-L460 WeakPolarHBondContact O-CB 3.46Å; F456-L460 PolarHBondContact O-N 2.79Å; L460-D463 PolarHBondContact O-N 2.7Å; L460-L464 HydrophobicContact CD2-CD1 4.5Å; L460-L464 HydrophobicContact CG-CD1 3.95Å; L460-L464 HydrophobicContact CG-CG 4.46Å; L460-L464 VanDerWaalsContact O-CB 3.23Å; L460-L464 WeakPolarHBondContact O-CB 3.44Å; L460-L464 WeakPolarHBondContact O-CD1 3.23Å; L460-L464 WeakPolarHBondContact O-CG 2.99Å; L460-L464 PolarHBondContact O-N 2.85Å; L460-E499 HydrophobicContact CD2-CG 4.04Å
461	R	59.7	Low	55.2	Low	47 Å²	47	52.9 Å²	52.9	18%	0.177	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-43.7	174.5	-74.1	169.3	-146.7	-128.3	-9.5	112.6	S457 I458 H459 D463 L464 I465 N496	S457-R461 WeakPolarHBondContact O-CB 3.31Å; S457-R461 WeakPolarHBondContact O-CD 3.02Å; S457-R461 WeakPolarHBondContact O-CG 3.38Å; S457-R461 PolarHBondContact O-N 3Å; S457-R461 PolarHBondContact O-NE 2.75Å; S457-R461 PolarHBondContact OG-NE 2.97Å; S457-R461 PolarHBondContact OG-NH2 3.45Å; I458-R461 PolarHBondContact O-N 2.83Å; H459-R461 VanDerWaalsContact C-N 3.29Å; H459-R461 PolarHBondContact O-N 3.43Å; R461-D463 VanDerWaalsContact C-N 3.35Å; R461-L464 PolarHBondContact O-N 3.02Å; R461-I465 HydrophobicContact CB-CD1 4.44Å; R461-I465 VanDerWaalsContact O-CB 3.31Å; R461-I465 WeakPolarHBondContact O-CB 3.34Å; R461-I465 VanDerWaalsContact O-CD1 3.31Å; R461-I465 WeakPolarHBondContact O-CD1 3.42Å; R461-I465 WeakPolarHBondContact O-CG1 3.47Å; R461-I465 PolarHBondContact O-N 2.67Å; R461-N496 PolarHBondContact NH1-OD1 3.46Å; R461-N496 PolarHBondContact NH2-OD1 3.38Å
462	Y	60.7	Low	56.6	Low	33 Å²	33	50.9 Å²	50.9	13%	0.129	25%	0.249	C	C	.	.	H	α-helix	trans	-58	-50.6	176.9	-178.7	-95.1	0	0	0	110.5	M321 I324 Q325 I458 H459 L464 I465 H466	M321-Y462 HydrophobicContact CB-CE2 4.25Å; M321-Y462 HydrophobicContact CE-CE2 4.26Å; I324-Y462 HydrophobicContact CB-CD2 3.97Å; I324-Y462 HydrophobicContact CD1-CD2 4.43Å; I324-Y462 HydrophobicContact CG2-CD2 3.66Å; I324-Y462 HydrophobicContact CG2-CG 4.09Å; Q325-Y462 HydrophobicContact CG-CE2 3.78Å; Q325-Y462 PolarHBondContact NE2-OH 2.73Å; I458-Y462 PolarHBondContact O-N 3.08Å; H459-Y462 WeakPolarHBondContact O-CB 3.42Å; H459-Y462 PolarHBondContact O-N 3.33Å; H459-Y462 VanDerWaalsContact O-N 3.17Å; Y462-L464 VanDerWaalsContact C-N 3.34Å; Y462-L464 PolarHBondContact O-N 3.49Å; Y462-I465 PolarHBondContact O-N 2.79Å; Y462-H466 VanDerWaalsContact O-CB 3.25Å; Y462-H466 WeakPolarHBondContact O-CB 3.2Å; Y462-H466 PolarHBondContact O-N 3.32Å
463	D	61.5	Low	58.2	Low	78 Å²	78	47 Å²	47	42%	0.417	23%	0.232	S	C	.	.	H	α-helix	trans	-64.6	-38.7	179.8	-71.5	-12.5	0	0	0	111.8	H459 L460 R461 K467	H459-D463 WeakPolarHBondContact O-CB 3.39Å; H459-D463 PolarHBondContact O-N 2.89Å; L460-D463 PolarHBondContact O-N 2.7Å; R461-D463 VanDerWaalsContact C-N 3.35Å; D463-K467 WeakPolarHBondContact O-CB 3.47Å; D463-K467 WeakPolarHBondContact O-CG 3.31Å; D463-K467 PolarHBondContact O-N 2.94Å
464	L	63.9	Low	59.7	Low	14 Å²	14	49.3 Å²	49.3	7%	0.073	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-43.9	175.7	-75.9	170.3	0	0	0	111.9	L460 R461 Y462 F468 L502 L506	L460-L464 HydrophobicContact CD2-CD1 4.5Å; L460-L464 HydrophobicContact CG-CD1 3.95Å; L460-L464 HydrophobicContact CG-CG 4.46Å; L460-L464 VanDerWaalsContact O-CB 3.23Å; L460-L464 WeakPolarHBondContact O-CB 3.44Å; L460-L464 WeakPolarHBondContact O-CD1 3.23Å; L460-L464 WeakPolarHBondContact O-CG 2.99Å; L460-L464 PolarHBondContact O-N 2.85Å; R461-L464 PolarHBondContact O-N 3.02Å; Y462-L464 VanDerWaalsContact C-N 3.34Å; Y462-L464 PolarHBondContact O-N 3.49Å; L464-F468 WeakPolarHBondContact O-CB 3.12Å; L464-F468 PolarHBondContact O-N 3.28Å; L464-L502 HydrophobicContact CD1-CD2 4.16Å; L464-L506 HydrophobicContact CB-CD1 4.22Å; L464-L506 HydrophobicContact CD1-CD1 3.75Å; L464-L506 HydrophobicContact CD2-CD1 3.51Å; L464-L506 HydrophobicContact CG-CD1 4.01Å
465	I	63.5	Low	61	Low	10 Å²	10	49 Å²	49	5%	0.051	23%	0.232	C	C	.	.	H	α-helix	trans	-64	-44	176	-69.6	159.4	0	0	0	109.9	I317 M320 M321 I324 R461 Y462 F468 Y469 F488 I492	I317-I465 HydrophobicContact CG2-CG2 4.21Å; M320-I465 HydrophobicContact CE-CD1 3.59Å; M320-I465 HydrophobicContact CE-CG1 4.1Å; M320-I465 HydrophobicContact CE-CG2 3.82Å; M320-I465 HydrophobicContact SD-CD1 4.17Å; M321-I465 HydrophobicContact CG-CG2 4.15Å; I324-I465 HydrophobicContact CD1-CD1 3.95Å; R461-I465 HydrophobicContact CB-CD1 4.44Å; R461-I465 VanDerWaalsContact O-CB 3.31Å; R461-I465 WeakPolarHBondContact O-CB 3.34Å; R461-I465 VanDerWaalsContact O-CD1 3.31Å; R461-I465 WeakPolarHBondContact O-CD1 3.42Å; R461-I465 WeakPolarHBondContact O-CG1 3.47Å; R461-I465 PolarHBondContact O-N 2.67Å; Y462-I465 PolarHBondContact O-N 2.79Å; I465-F468 PolarHBondContact O-N 3.06Å; I465-Y469 VanDerWaalsContact O-CB 3.29Å; I465-Y469 WeakPolarHBondContact O-CB 3.46Å; I465-Y469 PolarHBondContact O-N 3.47Å; I465-F488 HydrophobicContact CB-CZ 4.28Å; I465-F488 HydrophobicContact CG1-CE1 3.73Å; I465-F488 HydrophobicContact CG1-CZ 3.71Å; I465-I492 HydrophobicContact CG1-CD1 4.48Å
466	H	66.4	Low	62.2	Low	65 Å²	65	55.8 Å²	55.8	30%	0.301	27%	0.268	S	S	.	.	H	α-helix	trans	-65	-50.9	179	-165	-64.4	0	0	0	111.2	M321 Y462 F468 Y469 D470	M321-H466 HydrophobicContact CE-CB 4.36Å; M321-H466 WeakPolarHBondContact CE-CD2 3.29Å; Y462-H466 VanDerWaalsContact O-CB 3.25Å; Y462-H466 WeakPolarHBondContact O-CB 3.2Å; Y462-H466 PolarHBondContact O-N 3.32Å; H466-F468 VanDerWaalsContact C-N 3.25Å; H466-F468 PolarHBondContact O-N 2.75Å; H466-Y469 PolarHBondContact O-N 3.18Å; H466-D470 IonicContact CE1-OD1 3.66Å; H466-D470 IonicContact CE1-OD2 2.81Å; H466-D470 PolarHBondContact CE1-OD2 2.89Å; H466-D470 IonicContact ND1-OD1 3.09Å; H466-D470 IonicContact ND1-OD2 2.67Å; H466-D470 PolarHBondContact ND1-OD2 2.91Å; H466-D470 WeakPolarHBondContact O-CB 3.35Å; H466-D470 VanDerWaalsContact O-CG 3.26Å; H466-D470 PolarHBondContact O-N 3.43Å
467	K	69.1	Low	64	Low	120 Å²	120	56.2 Å²	56.2	52%	0.522	27%	0.27	S	S	.	.	H	α-helix	trans	-57.7	-41.1	174.6	-76.8	173.7	-178.6	174.4	0	111.5	D463 Q471 F510	D463-K467 WeakPolarHBondContact O-CB 3.47Å; D463-K467 WeakPolarHBondContact O-CG 3.31Å; D463-K467 PolarHBondContact O-N 2.94Å; K467-Q471 WeakPolarHBondContact O-CB 3.46Å; K467-Q471 WeakPolarHBondContact O-CG 3.44Å; K467-Q471 PolarHBondContact O-N 3.21Å; K467-F510 HydrophobicContact CB-CZ 4.36Å
468	F	68.9	Low	64.8	Low	2 Å²	2	59.3 Å²	59.3	1%	0.009	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-51.5	175.9	173.9	-97.9	0	0	0	111.7	L464 I465 H466 D470 Q471 F472 C484 I485 F488 L509 F510 I513	L464-F468 WeakPolarHBondContact O-CB 3.12Å; L464-F468 PolarHBondContact O-N 3.28Å; I465-F468 PolarHBondContact O-N 3.06Å; H466-F468 VanDerWaalsContact C-N 3.25Å; H466-F468 PolarHBondContact O-N 2.75Å; F468-D470 PolarHBondContact O-N 3.43Å; F468-Q471 PolarHBondContact O-N 3.29Å; F468-F472 HydrophobicContact CE1-CD2 4.48Å; F468-F472 HydrophobicContact CE1-CG 4.31Å; F468-F472 HydrophobicContact CE2-CB 4.44Å; F468-F472 HydrophobicContact CE2-CD2 4.13Å; F468-F472 HydrophobicContact CE2-CG 4.47Å; F468-F472 HydrophobicContact CZ-CB 4.35Å; F468-F472 AromaticContact CZ-CD2 3.78Å; F468-F472 HydrophobicContact CZ-CD2 3.78Å; F468-F472 HydrophobicContact CZ-CE2 4.04Å; F468-F472 HydrophobicContact CZ-CG 4.03Å; F468-F472 WeakPolarHBondContact O-CB 3.31Å; F468-F472 PolarHBondContact O-N 2.99Å; F468-C484 HydrophobicContact CE2-CB 3.75Å; F468-C484 HydrophobicContact CZ-CB 3.9Å; F468-I485 HydrophobicContact CE1-CG1 4Å; F468-I485 HydrophobicContact CZ-CG1 3.98Å; F468-F488 HydrophobicContact CB-CD2 3.78Å; F468-F488 HydrophobicContact CB-CE2 3.44Å; F468-F488 VanDerWaalsContact CB-CE2 3.44Å; F468-F488 HydrophobicContact CB-CZ 3.9Å; F468-F488 HydrophobicContact CD1-CB 4.48Å; F468-F488 HydrophobicContact CD1-CD1 4.04Å; F468-F488 HydrophobicContact CD1-CD2 4Å; F468-F488 HydrophobicContact CD1-CE1 4.26Å; F468-F488 HydrophobicContact CD1-CE2 4.26Å; F468-F488 AromaticContact CD1-CG 3.91Å; F468-F488 HydrophobicContact CD1-CG 3.91Å; F468-F488 HydrophobicContact CD1-CZ 4.38Å; F468-F488 HydrophobicContact CD2-CB 4.1Å; F468-F488 AromaticContact CD2-CD2 3.42Å; F468-F488 HydrophobicContact CD2-CD2 3.42Å; F468-F488 VanDerWaalsContact CD2-CD2 3.42Å; F468-F488 HydrophobicContact CD2-CE2 4.04Å; F468-F488 AromaticContact CD2-CG 3.86Å; F468-F488 HydrophobicContact CD2-CG 3.86Å; F468-F488 HydrophobicContact CE1-CB 4.18Å; F468-F488 HydrophobicContact CE1-CD1 4.26Å; F468-F488 HydrophobicContact CE1-CG 4.07Å; F468-F488 HydrophobicContact CE2-CB 3.78Å; F468-F488 HydrophobicContact CE2-CD2 4.01Å; F468-F488 HydrophobicContact CE2-CG 4.04Å; F468-F488 HydrophobicContact CG-CB 4.46Å; F468-F488 HydrophobicContact CG-CD1 4.31Å; F468-F488 AromaticContact CG-CD2 3.44Å; F468-F488 HydrophobicContact CG-CD2 3.44Å; F468-F488 VanDerWaalsContact CG-CD2 3.44Å; F468-F488 HydrophobicContact CG-CE1 4.45Å; F468-F488 AromaticContact CG-CE2 3.65Å; F468-F488 HydrophobicContact CG-CE2 3.65Å; F468-F488 AromaticContact CG-CG 3.82Å; F468-F488 HydrophobicContact CG-CG 3.82Å; F468-F488 HydrophobicContact CG-CZ 4.16Å; F468-F488 HydrophobicContact CZ-CB 3.83Å; F468-F488 HydrophobicContact CZ-CG 4.14Å; F468-L509 HydrophobicContact CD2-CD2 4.08Å; F468-L509 HydrophobicContact CE2-CD2 3.75Å; F468-F510 HydrophobicContact CB-CE1 3.88Å; F468-F510 HydrophobicContact CB-CZ 3.99Å; F468-F510 AromaticContact CD2-CE1 3.91Å; F468-F510 HydrophobicContact CD2-CE1 3.91Å; F468-F510 HydrophobicContact CG-CE1 4.39Å; F468-I513 HydrophobicContact CE2-CD1 4.23Å
469	Y	68.7	Low	65.8	Low	32 Å²	32	66.6 Å²	66.6	13%	0.125	31%	0.312	C	S	.	.	H	α-helix	trans	-56.4	-48.9	177.8	-173.6	-98.2	0	0	0	112.1	E314 I317 K318 I465 H466 Q471 F472 I473	E314-Y469 HydrophobicContact CG-CE2 3.98Å; E314-Y469 VanDerWaalsContact CG-OH 3.26Å; E314-Y469 WeakPolarHBondContact CG-OH 3.26Å; E314-Y469 PolarHBondContact OE1-OH 3.44Å; E314-Y469 VanDerWaalsContact OE1-OH 3.05Å; I317-Y469 HydrophobicContact CD1-CD2 4.21Å; I317-Y469 HydrophobicContact CG2-CD2 3.81Å; I317-Y469 HydrophobicContact CG2-CE2 4.29Å; I317-Y469 HydrophobicContact CG2-CG 4.46Å; K318-Y469 WeakPolarHBondContact CE-OH 3.24Å; I465-Y469 VanDerWaalsContact O-CB 3.29Å; I465-Y469 WeakPolarHBondContact O-CB 3.46Å; I465-Y469 PolarHBondContact O-N 3.47Å; H466-Y469 PolarHBondContact O-N 3.18Å; Y469-Q471 PolarHBondContact O-N 3.28Å; Y469-F472 PolarHBondContact O-N 3.39Å; Y469-I473 HydrophobicContact CE1-CD1 3.76Å; Y469-I473 WeakPolarHBondContact O-CB 3.45Å; Y469-I473 PolarHBondContact O-N 2.81Å
470	D	73.5	Confident	66.7	Low	75 Å²	75	64.2 Å²	64.2	40%	0.401	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-44.4	-179.7	-69.6	-22.3	0	0	0	112.7	H466 F468 F472 H474	H466-D470 IonicContact CE1-OD1 3.66Å; H466-D470 IonicContact CE1-OD2 2.81Å; H466-D470 PolarHBondContact CE1-OD2 2.89Å; H466-D470 IonicContact ND1-OD1 3.09Å; H466-D470 IonicContact ND1-OD2 2.67Å; H466-D470 PolarHBondContact ND1-OD2 2.91Å; H466-D470 WeakPolarHBondContact O-CB 3.35Å; H466-D470 VanDerWaalsContact O-CG 3.26Å; H466-D470 PolarHBondContact O-N 3.43Å; F468-D470 PolarHBondContact O-N 3.43Å; D470-F472 VanDerWaalsContact C-N 3.34Å; D470-H474 PolarHBondContact O-CD2 2.91Å; D470-H474 VanDerWaalsContact O-CD2 3.3Å
471	Q	68.5	Low	67.4	Low	71 Å²	71	64.1 Å²	64.1	33%	0.332	30%	0.299	S	S	.	.	H	α-helix	trans	-71.9	-34.2	179.4	-70.4	-169.5	7.1	0	0	111.8	K467 F468 Y469 F510 I513 K517	K467-Q471 WeakPolarHBondContact O-CB 3.46Å; K467-Q471 WeakPolarHBondContact O-CG 3.44Å; K467-Q471 PolarHBondContact O-N 3.21Å; F468-Q471 PolarHBondContact O-N 3.29Å; Y469-Q471 PolarHBondContact O-N 3.28Å; Q471-F510 HydrophobicContact CB-CD1 4.47Å; Q471-F510 VanDerWaalsContact OE1-CB 3.24Å; Q471-I513 HydrophobicContact CB-CG2 4.43Å; Q471-K517 WeakPolarHBondContact O-CE 2.97Å; Q471-K517 PolarHBondContact O-NZ 3.33Å
472	F	69.3	Low	67.6	Low	10 Å²	10	65.7 Å²	65.7	4%	0.044	31%	0.308	C	S	.	.	H	α-helix	trans	-85.2	-30.5	-171.1	173.1	-91.6	0	0	0	114.1	W310 F468 Y469 D470 H474 L475 K481 C484 I485 I513	W310-F472 HydrophobicContact CZ3-CE1 4.47Å; W310-F472 HydrophobicContact CZ3-CZ 4.2Å; F468-F472 HydrophobicContact CE1-CD2 4.48Å; F468-F472 HydrophobicContact CE1-CG 4.31Å; F468-F472 HydrophobicContact CE2-CB 4.44Å; F468-F472 HydrophobicContact CE2-CD2 4.13Å; F468-F472 HydrophobicContact CE2-CG 4.47Å; F468-F472 HydrophobicContact CZ-CB 4.35Å; F468-F472 AromaticContact CZ-CD2 3.78Å; F468-F472 HydrophobicContact CZ-CD2 3.78Å; F468-F472 HydrophobicContact CZ-CE2 4.04Å; F468-F472 HydrophobicContact CZ-CG 4.03Å; F468-F472 WeakPolarHBondContact O-CB 3.31Å; F468-F472 PolarHBondContact O-N 2.99Å; Y469-F472 PolarHBondContact O-N 3.39Å; D470-F472 VanDerWaalsContact C-N 3.34Å; F472-H474 PolarHBondContact O-N 2.92Å; F472-H474 VanDerWaalsContact O-N 3.1Å; F472-L475 HydrophobicContact CD2-CD1 3.59Å; F472-L475 HydrophobicContact CE2-CD1 4.08Å; F472-L475 HydrophobicContact CG-CD1 4.29Å; F472-L475 WeakPolarHBondContact O-CB 3.12Å; F472-L475 WeakPolarHBondContact O-CG 3.46Å; F472-L475 PolarHBondContact O-N 2.8Å; F472-K481 HydrophobicContact CD1-CG 4.49Å; F472-K481 HydrophobicContact CE1-CB 3.88Å; F472-K481 HydrophobicContact CE1-CD 3.87Å; F472-K481 HydrophobicContact CE1-CG 3.73Å; F472-K481 HydrophobicContact CE2-CB 3.77Å; F472-K481 HydrophobicContact CE2-CG 3.88Å; F472-K481 WeakPolarHBondContact CE2-O 3.11Å; F472-K481 HydrophobicContact CZ-CB 3.18Å; F472-K481 HydrophobicContact CZ-CD 4.05Å; F472-K481 HydrophobicContact CZ-CG 3.41Å; F472-K481 VanDerWaalsContact CZ-CG 3.41Å; F472-K481 WeakPolarHBondContact CZ-O 3.24Å; F472-C484 HydrophobicContact CD2-CB 3.71Å; F472-C484 HydrophobicContact CE2-CB 3.54Å; F472-I485 HydrophobicContact CE1-CD1 3.89Å; F472-I485 HydrophobicContact CE1-CG1 4.04Å; F472-I485 HydrophobicContact CE2-CG1 4.1Å; F472-I485 HydrophobicContact CZ-CD1 3.71Å; F472-I485 HydrophobicContact CZ-CG1 3.52Å; F472-I513 HydrophobicContact CD2-CD1 4.34Å
473	I	67.9	Low	68	Low	62 Å²	62	68 Å²	68	32%	0.318	32%	0.323	S	S	.	.	H	α-helix	trans	-56.9	-33.2	-174.4	-160.9	170.2	0	0	0	112.5	Y469 L475 K481	Y469-I473 HydrophobicContact CE1-CD1 3.76Å; Y469-I473 WeakPolarHBondContact O-CB 3.45Å; Y469-I473 PolarHBondContact O-N 2.81Å; I473-L475 VanDerWaalsContact C-N 3.32Å; I473-L475 PolarHBondContact O-N 3.26Å; I473-K481 PolarHBondContact O-NZ 3.39Å; I473-K481 VanDerWaalsContact O-NZ 3.08Å
474	H	69	Low	68.4	Low	128 Å²	128	64.5 Å²	64.5	59%	0.593	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-2.7	-179.6	-60.3	-65.8	0	0	0	115.3	D470 F472 N476	D470-H474 PolarHBondContact O-CD2 2.91Å; D470-H474 VanDerWaalsContact O-CD2 3.3Å; F472-H474 PolarHBondContact O-N 2.92Å; F472-H474 VanDerWaalsContact O-N 3.1Å; H474-N476 PolarHBondContact O-N 2.95Å
475	L	69.7	Low	68.5	Low	7 Å²	7	64.7 Å²	64.7	4%	0.037	31%	0.305	C	S	.	.			trans	-67.9	132.3	174.2	-69.6	173.4	0	0	0	110	F472 I473 L480 K481 I513 K517	F472-L475 HydrophobicContact CD2-CD1 3.59Å; F472-L475 HydrophobicContact CE2-CD1 4.08Å; F472-L475 HydrophobicContact CG-CD1 4.29Å; F472-L475 WeakPolarHBondContact O-CB 3.12Å; F472-L475 WeakPolarHBondContact O-CG 3.46Å; F472-L475 PolarHBondContact O-N 2.8Å; I473-L475 VanDerWaalsContact C-N 3.32Å; I473-L475 PolarHBondContact O-N 3.26Å; L475-L480 HydrophobicContact CD1-CD2 4.06Å; L475-L480 HydrophobicContact CD1-CG 4.17Å; L475-L480 HydrophobicContact CD2-CD2 3.82Å; L475-L480 HydrophobicContact CG-CD2 4.42Å; L475-K481 HydrophobicContact CB-CG 4.09Å; L475-K481 WeakPolarHBondContact O-CE 3.46Å; L475-K481 PolarHBondContact O-NZ 2.95Å; L475-I513 HydrophobicContact CD1-CG1 4.19Å; L475-I513 HydrophobicContact CD1-CG2 4.14Å; L475-I513 HydrophobicContact CD2-CG2 4.06Å; L475-I513 HydrophobicContact CG-CG2 4.19Å; L475-K517 HydrophobicContact CD2-CG 4.01Å
476	N	67.5	Low	68.5	Low	162 Å²	162	71 Å²	71	87%	0.866	33%	0.332	S	S	*	.			trans	-83.8	-18.5	-179.6	-71.9	-23.9	0	0	0	113.3	H474	H474-N476 PolarHBondContact O-N 2.95Å
477	K	74	Confident	68.5	Low	126 Å²	126	70.8 Å²	70.8	55%	0.548	33%	0.333	S	S	.	.			trans	-98.7	113.6	-173	-66.7	-175.5	-179.5	-179.7	0	111.8	W479 L480 K481	K477-W479 HydrophobicContact CD-CZ2 4.23Å; K477-W479 PolarHBondContact O-N 3.31Å; K477-L480 HydrophobicContact CB-CB 3.97Å; K477-L480 WeakPolarHBondContact O-CB 3.21Å; K477-L480 PolarHBondContact O-N 2.9Å; K477-K481 PolarHBondContact O-N 3.47Å
478	N	66	Low	68.4	Low	86 Å²	86	65.1 Å²	65.1	46%	0.46	31%	0.308	S	S	.	.	H	α-helix	trans	-55.5	-44.8	178	-79.1	-10.5	0	0	0	113.8	W310 L480 K481 Q482	W310-N478 VanDerWaalsContact CD1-CG 3.49Å; W310-N478 WeakPolarHBondContact CZ2-O 3.21Å; W310-N478 VanDerWaalsContact NE1-CB 3.29Å; W310-N478 VanDerWaalsContact NE1-CG 3.34Å; N478-L480 VanDerWaalsContact C-N 3.3Å; N478-L480 PolarHBondContact O-N 3.22Å; N478-K481 WeakPolarHBondContact O-CA 3.39Å; N478-K481 VanDerWaalsContact O-CB 3.29Å; N478-K481 WeakPolarHBondContact O-CB 3.46Å; N478-K481 PolarHBondContact O-N 2.83Å; N478-K481 VanDerWaalsContact O-N 3.11Å; N478-Q482 PolarHBondContact O-N 3.49Å
479	W	71	Confident	68.2	Low	159 Å²	159	68.1 Å²	68.1	60%	0.602	32%	0.321	S	S	*	.	H	α-helix	trans	-63.5	-37.7	179.1	68.9	-95	0	0	0	112.4	K477 K481 Q482 L483	K477-W479 HydrophobicContact CD-CZ2 4.23Å; K477-W479 PolarHBondContact O-N 3.31Å; W479-K481 VanDerWaalsContact C-N 3.26Å; W479-K481 PolarHBondContact O-N 3.21Å; W479-Q482 WeakPolarHBondContact O-CB 3.16Å; W479-Q482 PolarHBondContact O-N 3.08Å; W479-Q482 VanDerWaalsContact O-N 3.16Å; W479-L483 HydrophobicContact CZ3-CD2 4.34Å; W479-L483 PolarHBondContact O-N 3.32Å
480	L	70.7	Confident	67.8	Low	21 Å²	21	72.6 Å²	72.6	11%	0.11	34%	0.341	C	S	.	.	H	α-helix	trans	-66	-38.1	176.5	-176.2	65.8	0	0	0	109.5	L475 K477 N478 Q482 L483 C484 T516	L475-L480 HydrophobicContact CD1-CD2 4.06Å; L475-L480 HydrophobicContact CD1-CG 4.17Å; L475-L480 HydrophobicContact CD2-CD2 3.82Å; L475-L480 HydrophobicContact CG-CD2 4.42Å; K477-L480 HydrophobicContact CB-CB 3.97Å; K477-L480 WeakPolarHBondContact O-CB 3.21Å; K477-L480 PolarHBondContact O-N 2.9Å; N478-L480 VanDerWaalsContact C-N 3.3Å; N478-L480 PolarHBondContact O-N 3.22Å; L480-Q482 VanDerWaalsContact C-N 3.3Å; L480-Q482 PolarHBondContact O-N 3.31Å; L480-L483 PolarHBondContact O-N 2.98Å; L480-C484 PolarHBondContact O-N 3.38Å; L480-C484 PolarHBondContact O-SG 3.49Å; L480-T516 HydrophobicContact CD2-CG2 4.03Å
481	K	66.8	Low	67.2	Low	39 Å²	39	69.4 Å²	69.4	17%	0.17	33%	0.325	C	S	.	.	H	α-helix	trans	-54.9	-48.4	172	-75.4	-166	-177.8	178.9	0	111.4	W310 F472 I473 L475 K477 N478 W479 L483 C484 I485	W310-K481 HydrophobicContact CD2-CB 4.28Å; W310-K481 HydrophobicContact CD2-CD 4.4Å; W310-K481 HydrophobicContact CE3-CB 3.92Å; W310-K481 HydrophobicContact CE3-CD 4.05Å; W310-K481 HydrophobicContact CH2-CB 3.28Å; W310-K481 HydrophobicContact CZ2-CB 3.59Å; W310-K481 HydrophobicContact CZ3-CB 3.42Å; W310-K481 VanDerWaalsContact CZ3-CB 3.42Å; W310-K481 HydrophobicContact CZ3-CD 4.31Å; W310-K481 HydrophobicContact CZ3-CG 4.47Å; F472-K481 HydrophobicContact CD1-CG 4.49Å; F472-K481 HydrophobicContact CE1-CB 3.88Å; F472-K481 HydrophobicContact CE1-CD 3.87Å; F472-K481 HydrophobicContact CE1-CG 3.73Å; F472-K481 HydrophobicContact CE2-CB 3.77Å; F472-K481 HydrophobicContact CE2-CG 3.88Å; F472-K481 WeakPolarHBondContact CE2-O 3.11Å; F472-K481 HydrophobicContact CZ-CB 3.18Å; F472-K481 HydrophobicContact CZ-CD 4.05Å; F472-K481 HydrophobicContact CZ-CG 3.41Å; F472-K481 VanDerWaalsContact CZ-CG 3.41Å; F472-K481 WeakPolarHBondContact CZ-O 3.24Å; I473-K481 PolarHBondContact O-NZ 3.39Å; I473-K481 VanDerWaalsContact O-NZ 3.08Å; L475-K481 HydrophobicContact CB-CG 4.09Å; L475-K481 WeakPolarHBondContact O-CE 3.46Å; L475-K481 PolarHBondContact O-NZ 2.95Å; K477-K481 PolarHBondContact O-N 3.47Å; N478-K481 WeakPolarHBondContact O-CA 3.39Å; N478-K481 VanDerWaalsContact O-CB 3.29Å; N478-K481 WeakPolarHBondContact O-CB 3.46Å; N478-K481 PolarHBondContact O-N 2.83Å; N478-K481 VanDerWaalsContact O-N 3.11Å; W479-K481 VanDerWaalsContact C-N 3.26Å; W479-K481 PolarHBondContact O-N 3.21Å; K481-L483 VanDerWaalsContact C-N 3.29Å; K481-L483 PolarHBondContact O-N 2.83Å; K481-C484 PolarHBondContact O-N 3.37Å; K481-I485 WeakPolarHBondContact O-CG1 3.29Å; K481-I485 PolarHBondContact O-N 3.44Å; K481-I485 VanDerWaalsContact O-N 3.11Å
482	Q	63.8	Low	66.7	Low	79 Å²	79	67 Å²	67	37%	0.369	31%	0.314	S	S	.	.	H	α-helix	trans	-63.8	-39.2	-178	-111	157.2	44.5	0	0	111.8	W310 N478 W479 L480 K486	W310-Q482 HydrophobicContact CH2-CB 3.71Å; W310-Q482 HydrophobicContact CH2-CG 3.48Å; W310-Q482 VanDerWaalsContact CH2-CG 3.48Å; W310-Q482 HydrophobicContact CZ2-CB 3.59Å; W310-Q482 HydrophobicContact CZ2-CG 3.27Å; W310-Q482 VanDerWaalsContact CZ2-N 3.28Å; N478-Q482 PolarHBondContact O-N 3.49Å; W479-Q482 WeakPolarHBondContact O-CB 3.16Å; W479-Q482 PolarHBondContact O-N 3.08Å; W479-Q482 VanDerWaalsContact O-N 3.16Å; L480-Q482 VanDerWaalsContact C-N 3.3Å; L480-Q482 PolarHBondContact O-N 3.31Å; Q482-K486 WeakPolarHBondContact O-CB 3.26Å; Q482-K486 VanDerWaalsContact O-CG 3.3Å; Q482-K486 WeakPolarHBondContact O-CG 3.48Å; Q482-K486 PolarHBondContact O-N 2.84Å
483	L	69.6	Low	66	Low	82 Å²	82	72.7 Å²	72.7	43%	0.429	34%	0.344	S	S	.	.	H	α-helix	trans	-65	-48.9	177.8	-172.7	60.7	0	0	0	111.6	W479 L480 K481 I485 K486 I487	W479-L483 HydrophobicContact CZ3-CD2 4.34Å; W479-L483 PolarHBondContact O-N 3.32Å; L480-L483 PolarHBondContact O-N 2.98Å; K481-L483 VanDerWaalsContact C-N 3.29Å; K481-L483 PolarHBondContact O-N 2.83Å; L483-I485 VanDerWaalsContact C-N 3.34Å; L483-I485 PolarHBondContact O-N 3.4Å; L483-K486 PolarHBondContact O-N 3.4Å; L483-I487 HydrophobicContact CD1-CD1 4.05Å; L483-I487 HydrophobicContact CD1-CG1 4.36Å; L483-I487 HydrophobicContact CG-CD1 3.83Å; L483-I487 VanDerWaalsContact O-CG1 3.28Å; L483-I487 WeakPolarHBondContact O-CG1 3.29Å; L483-I487 PolarHBondContact O-N 3.22Å
484	C	68.9	Low	65.1	Low	4 Å²	4	75 Å²	75	3%	0.027	36%	0.356	C	S	.	.	H	α-helix	trans	-67.1	-35.9	-178.2	-42.6	0	0	0	0	112	F468 F472 L480 K481 I487 F488 L509 I513	F468-C484 HydrophobicContact CE2-CB 3.75Å; F468-C484 HydrophobicContact CZ-CB 3.9Å; F472-C484 HydrophobicContact CD2-CB 3.71Å; F472-C484 HydrophobicContact CE2-CB 3.54Å; L480-C484 PolarHBondContact O-N 3.38Å; L480-C484 PolarHBondContact O-SG 3.49Å; K481-C484 PolarHBondContact O-N 3.37Å; C484-I487 PolarHBondContact O-N 3.07Å; C484-F488 WeakPolarHBondContact O-CB 3.14Å; C484-F488 PolarHBondContact O-N 3.23Å; C484-L509 HydrophobicContact CB-CD1 3.86Å; C484-L509 HydrophobicContact CB-CD2 4.32Å; C484-L509 HydrophobicContact CB-CG 4.37Å; C484-I513 HydrophobicContact CB-CD1 4.11Å
485	I	65.4	Low	64.7	Low	18 Å²	18	71.4 Å²	71.4	9%	0.092	34%	0.339	C	S	.	.	H	α-helix	trans	-62.9	-47.7	175	-69.8	-174	0	0	0	110.8	W310 I313 I317 F468 F472 K481 L483 I487 F488 F489	W310-I485 HydrophobicContact CH2-CD1 4.28Å; W310-I485 HydrophobicContact CZ3-CD1 3.64Å; I313-I485 HydrophobicContact CG2-CD1 3.46Å; I313-I485 VanDerWaalsContact CG2-CD1 3.46Å; I313-I485 HydrophobicContact CG2-CG2 4.42Å; I317-I485 HydrophobicContact CD1-CD1 4.43Å; F468-I485 HydrophobicContact CE1-CG1 4Å; F468-I485 HydrophobicContact CZ-CG1 3.98Å; F472-I485 HydrophobicContact CE1-CD1 3.89Å; F472-I485 HydrophobicContact CE1-CG1 4.04Å; F472-I485 HydrophobicContact CE2-CG1 4.1Å; F472-I485 HydrophobicContact CZ-CD1 3.71Å; F472-I485 HydrophobicContact CZ-CG1 3.52Å; K481-I485 WeakPolarHBondContact O-CG1 3.29Å; K481-I485 PolarHBondContact O-N 3.44Å; K481-I485 VanDerWaalsContact O-N 3.11Å; L483-I485 VanDerWaalsContact C-N 3.34Å; L483-I485 PolarHBondContact O-N 3.4Å; I485-I487 VanDerWaalsContact C-N 3.33Å; I485-I487 PolarHBondContact O-N 3.26Å; I485-F488 PolarHBondContact O-N 3Å; I485-F489 HydrophobicContact CG2-CD2 3.63Å; I485-F489 HydrophobicContact CG2-CE2 3.84Å; I485-F489 WeakPolarHBondContact O-CD2 3.23Å; I485-F489 PolarHBondContact O-N 2.95Å
486	K	63.8	Low	63.8	Low	143 Å²	143	72.8 Å²	72.8	62%	0.622	35%	0.347	S	S	*	.	H	α-helix	trans	-58.3	-46.2	176.3	-77.4	178.1	178.4	-179	0	111.2	Q482 L483 K490	Q482-K486 WeakPolarHBondContact O-CB 3.26Å; Q482-K486 VanDerWaalsContact O-CG 3.3Å; Q482-K486 WeakPolarHBondContact O-CG 3.48Å; Q482-K486 PolarHBondContact O-N 2.84Å; L483-K486 PolarHBondContact O-N 3.4Å; K486-K490 WeakPolarHBondContact O-CB 3.19Å; K486-K490 PolarHBondContact O-N 3.3Å
487	I	67.6	Low	63	Low	61 Å²	61	72.4 Å²	72.4	31%	0.313	34%	0.34	S	S	.	.	H	α-helix	trans	-63	-48.4	177.9	-66.9	168.3	0	0	0	110.2	L483 C484 I485 K490 S491 I505 L509	L483-I487 HydrophobicContact CD1-CD1 4.05Å; L483-I487 HydrophobicContact CD1-CG1 4.36Å; L483-I487 HydrophobicContact CG-CD1 3.83Å; L483-I487 VanDerWaalsContact O-CG1 3.28Å; L483-I487 WeakPolarHBondContact O-CG1 3.29Å; L483-I487 PolarHBondContact O-N 3.22Å; C484-I487 PolarHBondContact O-N 3.07Å; I485-I487 VanDerWaalsContact C-N 3.33Å; I485-I487 PolarHBondContact O-N 3.26Å; I487-K490 PolarHBondContact O-N 3.42Å; I487-S491 VanDerWaalsContact O-CB 3.25Å; I487-S491 WeakPolarHBondContact O-CB 3.39Å; I487-S491 PolarHBondContact O-N 2.98Å; I487-S491 PolarHBondContact O-OG 3.13Å; I487-I505 HydrophobicContact CG2-CG2 4.19Å; I487-L509 HydrophobicContact CB-CD1 4.29Å; I487-L509 HydrophobicContact CB-CD2 4.46Å; I487-L509 HydrophobicContact CD1-CD1 4.14Å; I487-L509 HydrophobicContact CG2-CD1 4.11Å; I487-L509 HydrophobicContact CG2-CD2 4.14Å
488	F	66.8	Low	62.3	Low	1 Å²	1	69.3 Å²	69.3	0%	0.004	33%	0.329	C	S	.	.	H	α-helix	trans	-58.6	-57.5	-177.3	-178.2	-95.4	0	0	0	111.9	I465 F468 C484 I485 K490 S491 I492 L506 L509	I465-F488 HydrophobicContact CB-CZ 4.28Å; I465-F488 HydrophobicContact CG1-CE1 3.73Å; I465-F488 HydrophobicContact CG1-CZ 3.71Å; F468-F488 HydrophobicContact CB-CD2 3.78Å; F468-F488 HydrophobicContact CB-CE2 3.44Å; F468-F488 VanDerWaalsContact CB-CE2 3.44Å; F468-F488 HydrophobicContact CB-CZ 3.9Å; F468-F488 HydrophobicContact CD1-CB 4.48Å; F468-F488 HydrophobicContact CD1-CD1 4.04Å; F468-F488 HydrophobicContact CD1-CD2 4Å; F468-F488 HydrophobicContact CD1-CE1 4.26Å; F468-F488 HydrophobicContact CD1-CE2 4.26Å; F468-F488 AromaticContact CD1-CG 3.91Å; F468-F488 HydrophobicContact CD1-CG 3.91Å; F468-F488 HydrophobicContact CD1-CZ 4.38Å; F468-F488 HydrophobicContact CD2-CB 4.1Å; F468-F488 AromaticContact CD2-CD2 3.42Å; F468-F488 HydrophobicContact CD2-CD2 3.42Å; F468-F488 VanDerWaalsContact CD2-CD2 3.42Å; F468-F488 HydrophobicContact CD2-CE2 4.04Å; F468-F488 AromaticContact CD2-CG 3.86Å; F468-F488 HydrophobicContact CD2-CG 3.86Å; F468-F488 HydrophobicContact CE1-CB 4.18Å; F468-F488 HydrophobicContact CE1-CD1 4.26Å; F468-F488 HydrophobicContact CE1-CG 4.07Å; F468-F488 HydrophobicContact CE2-CB 3.78Å; F468-F488 HydrophobicContact CE2-CD2 4.01Å; F468-F488 HydrophobicContact CE2-CG 4.04Å; F468-F488 HydrophobicContact CG-CB 4.46Å; F468-F488 HydrophobicContact CG-CD1 4.31Å; F468-F488 AromaticContact CG-CD2 3.44Å; F468-F488 HydrophobicContact CG-CD2 3.44Å; F468-F488 VanDerWaalsContact CG-CD2 3.44Å; F468-F488 HydrophobicContact CG-CE1 4.45Å; F468-F488 AromaticContact CG-CE2 3.65Å; F468-F488 HydrophobicContact CG-CE2 3.65Å; F468-F488 AromaticContact CG-CG 3.82Å; F468-F488 HydrophobicContact CG-CG 3.82Å; F468-F488 HydrophobicContact CG-CZ 4.16Å; F468-F488 HydrophobicContact CZ-CB 3.83Å; F468-F488 HydrophobicContact CZ-CG 4.14Å; C484-F488 WeakPolarHBondContact O-CB 3.14Å; C484-F488 PolarHBondContact O-N 3.23Å; I485-F488 PolarHBondContact O-N 3Å; F488-K490 PolarHBondContact O-N 2.87Å; F488-S491 WeakPolarHBondContact O-CB 2.94Å; F488-S491 PolarHBondContact O-N 3.34Å; F488-I492 HydrophobicContact CD1-CD1 3.81Å; F488-I492 HydrophobicContact CE1-CD1 3.21Å; F488-I492 HydrophobicContact CE1-CG1 4.37Å; F488-I492 HydrophobicContact CE2-CD1 4.25Å; F488-I492 HydrophobicContact CZ-CD1 3.46Å; F488-I492 VanDerWaalsContact CZ-CD1 3.46Å; F488-I492 HydrophobicContact CZ-CG1 4.48Å; F488-I492 WeakPolarHBondContact O-CG1 3.49Å; F488-I492 PolarHBondContact O-N 3.19Å; F488-L506 HydrophobicContact CD2-CD2 3.29Å; F488-L506 HydrophobicContact CE2-CD1 4.11Å; F488-L506 HydrophobicContact CE2-CD2 3.61Å; F488-L506 HydrophobicContact CG-CD2 4.34Å; F488-L509 HydrophobicContact CB-CD2 4.13Å
489	F	63.5	Low	61.9	Low	64 Å²	64	68.3 Å²	68.3	28%	0.281	32%	0.322	S	S	.	.	H	α-helix	trans	-66.7	-38.2	-179.2	-77.4	-74.8	0	0	0	112.4	I317 M320 I485 S491 I492 I493	I317-F489 HydrophobicContact CG1-CZ 4.46Å; M320-F489 HydrophobicContact CE-CE1 3.87Å; M320-F489 HydrophobicContact CE-CZ 3.84Å; M320-F489 HydrophobicContact SD-CE1 4.11Å; I485-F489 HydrophobicContact CG2-CD2 3.63Å; I485-F489 HydrophobicContact CG2-CE2 3.84Å; I485-F489 WeakPolarHBondContact O-CD2 3.23Å; I485-F489 PolarHBondContact O-N 2.95Å; F489-S491 VanDerWaalsContact C-N 3.28Å; F489-S491 PolarHBondContact O-N 2.93Å; F489-I492 PolarHBondContact O-N 3.49Å; F489-I493 VanDerWaalsContact O-CG1 3.25Å; F489-I493 WeakPolarHBondContact O-CG1 3.15Å; F489-I493 PolarHBondContact O-N 3.27Å
490	K	60.2	Low	61.3	Low	126 Å²	126	67.2 Å²	67.2	55%	0.548	33%	0.327	S	S	.	.	H	α-helix	trans	-63.4	-36.5	174.9	-170.9	169.9	-176.4	176.5	0	111.6	K486 I487 F488 I493 L494	K486-K490 WeakPolarHBondContact O-CB 3.19Å; K486-K490 PolarHBondContact O-N 3.3Å; I487-K490 PolarHBondContact O-N 3.42Å; F488-K490 PolarHBondContact O-N 2.87Å; K490-I493 PolarHBondContact O-N 3.12Å; K490-L494 HydrophobicContact CD-CD1 4.39Å; K490-L494 HydrophobicContact CG-CD1 3.69Å; K490-L494 HydrophobicContact CG-CG 4.24Å; K490-L494 VanDerWaalsContact O-CB 3.29Å; K490-L494 WeakPolarHBondContact O-CB 3.36Å; K490-L494 VanDerWaalsContact O-CG 3.26Å; K490-L494 WeakPolarHBondContact O-CG 3.31Å; K490-L494 PolarHBondContact O-N 2.79Å
491	S	60.8	Low	61.1	Low	9 Å²	9	69.3 Å²	69.3	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-68.3	-43.4	176.5	-56.2	0	0	0	0	111.5	I487 F488 F489 I493 H495 I505	I487-S491 VanDerWaalsContact O-CB 3.25Å; I487-S491 WeakPolarHBondContact O-CB 3.39Å; I487-S491 PolarHBondContact O-N 2.98Å; I487-S491 PolarHBondContact O-OG 3.13Å; F488-S491 WeakPolarHBondContact O-CB 2.94Å; F488-S491 PolarHBondContact O-N 3.34Å; F489-S491 VanDerWaalsContact C-N 3.28Å; F489-S491 PolarHBondContact O-N 2.93Å; S491-I493 VanDerWaalsContact C-N 3.34Å; S491-I493 PolarHBondContact O-N 2.96Å; S491-H495 WeakPolarHBondContact O-CA 3.48Å; S491-H495 VanDerWaalsContact O-CB 3.31Å; S491-H495 WeakPolarHBondContact O-CB 3.13Å; S491-H495 PolarHBondContact O-N 3.16Å; S491-I505 WeakPolarHBondContact OG-CG2 3.46Å
492	I	59.5	Low	60.8	Low	21 Å²	21	68 Å²	68	11%	0.108	33%	0.333	C	S	.	.	H	α-helix	trans	-59.7	-44.9	174.3	-70.1	176.8	0	0	0	110.9	I465 F488 F489 N496 L502	I465-I492 HydrophobicContact CG1-CD1 4.48Å; F488-I492 HydrophobicContact CD1-CD1 3.81Å; F488-I492 HydrophobicContact CE1-CD1 3.21Å; F488-I492 HydrophobicContact CE1-CG1 4.37Å; F488-I492 HydrophobicContact CE2-CD1 4.25Å; F488-I492 HydrophobicContact CZ-CD1 3.46Å; F488-I492 VanDerWaalsContact CZ-CD1 3.46Å; F488-I492 HydrophobicContact CZ-CG1 4.48Å; F488-I492 WeakPolarHBondContact O-CG1 3.49Å; F488-I492 PolarHBondContact O-N 3.19Å; F489-I492 PolarHBondContact O-N 3.49Å; I492-N496 WeakPolarHBondContact O-CA 3.22Å; I492-N496 VanDerWaalsContact O-CB 3.24Å; I492-N496 WeakPolarHBondContact O-CB 3.45Å; I492-N496 PolarHBondContact O-N 3.32Å; I492-L502 HydrophobicContact CG1-CD1 4.08Å; I492-L502 HydrophobicContact CG1-CD2 4.46Å
493	I	53	Low	60.9	Low	129 Å²	129	67.6 Å²	67.6	66%	0.662	33%	0.333	S	S	*	.	H	α-helix	trans	-66.7	-49.3	-179.3	-67.6	165.2	0	0	0	111	F489 K490 S491	F489-I493 VanDerWaalsContact O-CG1 3.25Å; F489-I493 WeakPolarHBondContact O-CG1 3.15Å; F489-I493 PolarHBondContact O-N 3.27Å; K490-I493 PolarHBondContact O-N 3.12Å; S491-I493 VanDerWaalsContact C-N 3.34Å; S491-I493 PolarHBondContact O-N 2.96Å
494	L	49.7	Very low	61	Low	111 Å²	111	71.3 Å²	71.3	58%	0.581	34%	0.342	S	S	*	.	H	α-helix	trans	-73.6	-34.8	-175.1	-71.3	174.7	0	0	0	113.3	K490	K490-L494 HydrophobicContact CD-CD1 4.39Å; K490-L494 HydrophobicContact CG-CD1 3.69Å; K490-L494 HydrophobicContact CG-CG 4.24Å; K490-L494 VanDerWaalsContact O-CB 3.29Å; K490-L494 WeakPolarHBondContact O-CB 3.36Å; K490-L494 VanDerWaalsContact O-CG 3.26Å; K490-L494 WeakPolarHBondContact O-CG 3.31Å; K490-L494 PolarHBondContact O-N 2.79Å
495	H	61	Low	61.2	Low	51 Å²	51	73 Å²	73	24%	0.236	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	23.1	-173.2	-55.5	-60.7	0	0	0	112.4	S491 H497 N498 I501 L502 I505	S491-H495 WeakPolarHBondContact O-CA 3.48Å; S491-H495 VanDerWaalsContact O-CB 3.31Å; S491-H495 WeakPolarHBondContact O-CB 3.13Å; S491-H495 PolarHBondContact O-N 3.16Å; H495-H497 PolarHBondContact O-N 3.08Å; H495-N498 CarbonylContact O-C 3.44Å; H495-N498 PolarHBondContact O-N 3.13Å; H495-I501 HydrophobicContact CB-CB 4.44Å; H495-I501 HydrophobicContact CB-CG2 4.2Å; H495-L502 HydrophobicContact CB-CB 4.32Å; H495-I505 WeakPolarHBondContact CD2-CD1 3.32Å
496	N	50.9	Low	61.5	Low	37 Å²	37	72.2 Å²	72.2	20%	0.198	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-29.9	177.5	-163.9	30.5	0	0	0	114.1	R461 I492	R461-N496 PolarHBondContact NH1-OD1 3.46Å; R461-N496 PolarHBondContact NH2-OD1 3.38Å; I492-N496 WeakPolarHBondContact O-CA 3.22Å; I492-N496 VanDerWaalsContact O-CB 3.24Å; I492-N496 WeakPolarHBondContact O-CB 3.45Å; I492-N496 PolarHBondContact O-N 3.32Å
497	H	49.5	Very low	62.1	Low	154 Å²	154	70.5 Å²	70.5	71%	0.713	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	3.7	-178.3	-57.7	-68.6	0	0	0	113.8	H495	H495-H497 PolarHBondContact O-N 3.08Å
498	N	59.5	Low	62.7	Low	60 Å²	60	70.8 Å²	70.8	32%	0.321	34%	0.343	S	S	.	.			trans	-134.7	82.1	-176.1	-164.6	-20.6	0	0	0	111.7	H495 L500 I501 L502	H495-N498 CarbonylContact O-C 3.44Å; H495-N498 PolarHBondContact O-N 3.13Å; N498-L500 VanDerWaalsContact C-N 3.28Å; N498-L500 PolarHBondContact O-N 3.36Å; N498-I501 HydrophobicContact CB-CB 4.37Å; N498-I501 HydrophobicContact CB-CD1 4.43Å; N498-I501 HydrophobicContact CB-CG1 4.47Å; N498-I501 WeakPolarHBondContact ND2-CD1 3.5Å; N498-I501 WeakPolarHBondContact ND2-CG1 3.38Å; N498-I501 PolarHBondContact O-N 3.45Å; N498-I501 VanDerWaalsContact O-N 3.13Å; N498-I501 PolarHBondContact OD1-N 3.22Å; N498-L502 PolarHBondContact O-N 2.77Å
499	E	58	Low	63.2	Low	66 Å²	66	71.4 Å²	71.4	31%	0.308	35%	0.346	S	S	.	.	H	α-helix	trans	-53.1	-40.5	-178.5	-69.6	178.2	168.2	0	0	112.8	L460 I501 L502 D503	L460-E499 HydrophobicContact CD2-CG 4.04Å; E499-I501 PolarHBondContact O-N 2.86Å; E499-L502 PolarHBondContact O-N 3Å; E499-D503 WeakPolarHBondContact O-CB 2.97Å; E499-D503 PolarHBondContact O-N 3.03Å
500	L	58.8	Low	63.9	Low	136 Å²	136	69 Å²	69	71%	0.712	34%	0.336	S	S	*	.	H	α-helix	trans	-62.6	-41	179.6	-72.1	168.2	0	0	0	113	N498 Y504	N498-L500 VanDerWaalsContact C-N 3.28Å; N498-L500 PolarHBondContact O-N 3.36Å; L500-Y504 VanDerWaalsContact O-CB 3.29Å; L500-Y504 WeakPolarHBondContact O-CB 3.4Å; L500-Y504 PolarHBondContact O-N 3.5Å
501	I	65.8	Low	64.8	Low	65 Å²	65	67 Å²	67	33%	0.333	33%	0.331	S	S	.	.	H	α-helix	trans	-71.2	-42	177.4	-65.9	-177.7	0	0	0	109.8	H495 N498 E499 Y504 I505	H495-I501 HydrophobicContact CB-CB 4.44Å; H495-I501 HydrophobicContact CB-CG2 4.2Å; N498-I501 HydrophobicContact CB-CB 4.37Å; N498-I501 HydrophobicContact CB-CD1 4.43Å; N498-I501 HydrophobicContact CB-CG1 4.47Å; N498-I501 WeakPolarHBondContact ND2-CD1 3.5Å; N498-I501 WeakPolarHBondContact ND2-CG1 3.38Å; N498-I501 PolarHBondContact O-N 3.45Å; N498-I501 VanDerWaalsContact O-N 3.13Å; N498-I501 PolarHBondContact OD1-N 3.22Å; E499-I501 PolarHBondContact O-N 2.86Å; I501-Y504 PolarHBondContact O-N 3.34Å; I501-I505 HydrophobicContact CG2-CD1 3.58Å; I501-I505 HydrophobicContact CG2-CG1 4.21Å; I501-I505 VanDerWaalsContact O-CG1 3.24Å; I501-I505 WeakPolarHBondContact O-CG1 3.46Å; I501-I505 PolarHBondContact O-N 2.86Å
502	L	62	Low	65.6	Low	12 Å²	12	69.1 Å²	69.1	6%	0.063	35%	0.348	C	S	.	.	H	α-helix	trans	-59.8	-50.7	176.9	-174.9	60.9	0	0	0	110.6	L464 I492 H495 N498 E499 Y504 I505 L506	L464-L502 HydrophobicContact CD1-CD2 4.16Å; I492-L502 HydrophobicContact CG1-CD1 4.08Å; I492-L502 HydrophobicContact CG1-CD2 4.46Å; H495-L502 HydrophobicContact CB-CB 4.32Å; N498-L502 PolarHBondContact O-N 2.77Å; E499-L502 PolarHBondContact O-N 3Å; L502-Y504 VanDerWaalsContact C-N 3.32Å; L502-Y504 PolarHBondContact O-N 3.09Å; L502-I505 PolarHBondContact O-N 3.19Å; L502-L506 HydrophobicContact CD1-CD1 3.88Å; L502-L506 HydrophobicContact CD1-CG 4.05Å; L502-L506 HydrophobicContact CG-CD1 3.79Å; L502-L506 HydrophobicContact CG-CG 4.28Å; L502-L506 WeakPolarHBondContact O-CB 3.29Å; L502-L506 WeakPolarHBondContact O-CG 3.44Å; L502-L506 PolarHBondContact O-N 2.7Å
503	D	65.4	Low	66.3	Low	69 Å²	69	68.2 Å²	68.2	37%	0.369	34%	0.344	S	S	.	.	H	α-helix	trans	-57.5	-43.5	176	-77	-10.7	0	0	0	111.8	E499 L506 Q507	E499-D503 WeakPolarHBondContact O-CB 2.97Å; E499-D503 PolarHBondContact O-N 3.03Å; D503-L506 PolarHBondContact O-N 3.44Å; D503-Q507 WeakPolarHBondContact O-CB 3.33Å; D503-Q507 PolarHBondContact O-N 3.46Å
504	Y	72.1	Confident	67.5	Low	160 Å²	160	65 Å²	65	63%	0.627	34%	0.337	S	S	*	.	H	α-helix	trans	-63.1	-45	176.9	-179.5	-99.2	0	0	0	112.3	L500 I501 L502 N508	L500-Y504 VanDerWaalsContact O-CB 3.29Å; L500-Y504 WeakPolarHBondContact O-CB 3.4Å; L500-Y504 PolarHBondContact O-N 3.5Å; I501-Y504 PolarHBondContact O-N 3.34Å; L502-Y504 VanDerWaalsContact C-N 3.32Å; L502-Y504 PolarHBondContact O-N 3.09Å; Y504-N508 WeakPolarHBondContact CD1-ND2 3.33Å; Y504-N508 WeakPolarHBondContact CE1-ND2 3.49Å; Y504-N508 WeakPolarHBondContact CE2-ND2 3.27Å; Y504-N508 WeakPolarHBondContact O-CB 3.18Å; Y504-N508 PolarHBondContact O-N 2.85Å; Y504-N508 PolarHBondContact O-ND2 2.78Å
505	I	72.9	Confident	68.9	Low	40 Å²	40	69.5 Å²	69.5	21%	0.205	35%	0.348	C	S	.	.	H	α-helix	trans	-65.8	-43.8	178.4	-65.8	164.6	0	0	0	110.2	I487 S491 H495 I501 L502 N508 L509	I487-I505 HydrophobicContact CG2-CG2 4.19Å; S491-I505 WeakPolarHBondContact OG-CG2 3.46Å; H495-I505 WeakPolarHBondContact CD2-CD1 3.32Å; I501-I505 HydrophobicContact CG2-CD1 3.58Å; I501-I505 HydrophobicContact CG2-CG1 4.21Å; I501-I505 VanDerWaalsContact O-CG1 3.24Å; I501-I505 WeakPolarHBondContact O-CG1 3.46Å; I501-I505 PolarHBondContact O-N 2.86Å; L502-I505 PolarHBondContact O-N 3.19Å; I505-N508 PolarHBondContact O-N 2.82Å; I505-L509 WeakPolarHBondContact O-CB 3.21Å; I505-L509 PolarHBondContact O-N 2.86Å
506	L	70.5	Confident	69.4	Low	2 Å²	2	70.6 Å²	70.6	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-67.4	-40.7	-179.7	-66.9	-177.6	0	0	0	111.6	L464 F488 L502 D503 N508 L509 F510	L464-L506 HydrophobicContact CB-CD1 4.22Å; L464-L506 HydrophobicContact CD1-CD1 3.75Å; L464-L506 HydrophobicContact CD2-CD1 3.51Å; L464-L506 HydrophobicContact CG-CD1 4.01Å; F488-L506 HydrophobicContact CD2-CD2 3.29Å; F488-L506 HydrophobicContact CE2-CD1 4.11Å; F488-L506 HydrophobicContact CE2-CD2 3.61Å; F488-L506 HydrophobicContact CG-CD2 4.34Å; L502-L506 HydrophobicContact CD1-CD1 3.88Å; L502-L506 HydrophobicContact CD1-CG 4.05Å; L502-L506 HydrophobicContact CG-CD1 3.79Å; L502-L506 HydrophobicContact CG-CG 4.28Å; L502-L506 WeakPolarHBondContact O-CB 3.29Å; L502-L506 WeakPolarHBondContact O-CG 3.44Å; L502-L506 PolarHBondContact O-N 2.7Å; D503-L506 PolarHBondContact O-N 3.44Å; L506-N508 VanDerWaalsContact C-N 3.34Å; L506-N508 PolarHBondContact O-N 3.24Å; L506-L509 HydrophobicContact CD2-CD2 4.33Å; L506-L509 WeakPolarHBondContact O-CB 3.45Å; L506-L509 PolarHBondContact O-N 3.38Å; L506-F510 HydrophobicContact CB-CD2 4.47Å; L506-F510 HydrophobicContact CB-CE2 4.05Å; L506-F510 WeakPolarHBondContact O-CB 3.18Å; L506-F510 WeakPolarHBondContact O-CD2 3.21Å; L506-F510 WeakPolarHBondContact O-CG 3.2Å; L506-F510 PolarHBondContact O-N 3Å
507	Q	77.2	Confident	70.2	Confident	107 Å²	107	75.5 Å²	75.5	50%	0.5	38%	0.377	S	S	.	.	H	α-helix	trans	-61.6	-42.5	174.1	-171.3	63.5	44.2	0	0	111.5	D503 F510 N511	D503-Q507 WeakPolarHBondContact O-CB 3.33Å; D503-Q507 PolarHBondContact O-N 3.46Å; Q507-F510 PolarHBondContact O-N 2.89Å; Q507-N511 PolarHBondContact NE2-OD1 2.97Å; Q507-N511 VanDerWaalsContact NE2-OD1 3.09Å; Q507-N511 WeakPolarHBondContact O-CB 3.42Å; Q507-N511 PolarHBondContact O-N 3.08Å; Q507-N511 PolarHBondContact O-ND2 3.47Å; Q507-N511 PolarHBondContact O-OD1 3.3Å
508	N	79.5	Confident	71.2	Confident	67 Å²	67	71.6 Å²	71.6	36%	0.358	36%	0.36	S	S	.	.	H	α-helix	trans	-66.8	-38.4	175.5	-75.9	-51.2	0	0	0	112.2	Y504 I505 L506 N511 A512	Y504-N508 WeakPolarHBondContact CD1-ND2 3.33Å; Y504-N508 WeakPolarHBondContact CE1-ND2 3.49Å; Y504-N508 WeakPolarHBondContact CE2-ND2 3.27Å; Y504-N508 WeakPolarHBondContact O-CB 3.18Å; Y504-N508 PolarHBondContact O-N 2.85Å; Y504-N508 PolarHBondContact O-ND2 2.78Å; I505-N508 PolarHBondContact O-N 2.82Å; L506-N508 VanDerWaalsContact C-N 3.34Å; L506-N508 PolarHBondContact O-N 3.24Å; N508-N511 PolarHBondContact O-N 3.37Å; N508-A512 WeakPolarHBondContact O-CB 3.3Å; N508-A512 PolarHBondContact O-N 3.24Å
509	L	78.3	Confident	71.8	Confident	13 Å²	13	72.2 Å²	72.2	7%	0.068	36%	0.362	C	S	.	.	H	α-helix	trans	-62.5	-45.4	174.2	-174.3	63.1	0	0	0	110.9	F468 C484 I487 F488 I505 L506 A512 I513	F468-L509 HydrophobicContact CD2-CD2 4.08Å; F468-L509 HydrophobicContact CE2-CD2 3.75Å; C484-L509 HydrophobicContact CB-CD1 3.86Å; C484-L509 HydrophobicContact CB-CD2 4.32Å; C484-L509 HydrophobicContact CB-CG 4.37Å; I487-L509 HydrophobicContact CB-CD1 4.29Å; I487-L509 HydrophobicContact CB-CD2 4.46Å; I487-L509 HydrophobicContact CD1-CD1 4.14Å; I487-L509 HydrophobicContact CG2-CD1 4.11Å; I487-L509 HydrophobicContact CG2-CD2 4.14Å; F488-L509 HydrophobicContact CB-CD2 4.13Å; I505-L509 WeakPolarHBondContact O-CB 3.21Å; I505-L509 PolarHBondContact O-N 2.86Å; L506-L509 HydrophobicContact CD2-CD2 4.33Å; L506-L509 WeakPolarHBondContact O-CB 3.45Å; L506-L509 PolarHBondContact O-N 3.38Å; L509-A512 PolarHBondContact O-N 3.17Å; L509-I513 HydrophobicContact CG-CD1 4.07Å; L509-I513 WeakPolarHBondContact O-CB 3.47Å; L509-I513 VanDerWaalsContact O-CG1 3.22Å; L509-I513 WeakPolarHBondContact O-CG1 3.3Å; L509-I513 PolarHBondContact O-N 3.42Å
510	F	77	Confident	72.6	Confident	15 Å²	15	72.5 Å²	72.5	7%	0.066	37%	0.365	C	S	.	.	H	α-helix	trans	-64.1	-42.5	176.5	-67.1	-35	0	0	0	112.5	K467 F468 Q471 L506 Q507 A512 I513 A514	K467-F510 HydrophobicContact CB-CZ 4.36Å; F468-F510 HydrophobicContact CB-CE1 3.88Å; F468-F510 HydrophobicContact CB-CZ 3.99Å; F468-F510 AromaticContact CD2-CE1 3.91Å; F468-F510 HydrophobicContact CD2-CE1 3.91Å; F468-F510 HydrophobicContact CG-CE1 4.39Å; Q471-F510 HydrophobicContact CB-CD1 4.47Å; Q471-F510 VanDerWaalsContact OE1-CB 3.24Å; L506-F510 HydrophobicContact CB-CD2 4.47Å; L506-F510 HydrophobicContact CB-CE2 4.05Å; L506-F510 WeakPolarHBondContact O-CB 3.18Å; L506-F510 WeakPolarHBondContact O-CD2 3.21Å; L506-F510 WeakPolarHBondContact O-CG 3.2Å; L506-F510 PolarHBondContact O-N 3Å; Q507-F510 PolarHBondContact O-N 2.89Å; F510-A512 VanDerWaalsContact C-N 3.31Å; F510-A512 PolarHBondContact O-N 3.16Å; F510-I513 HydrophobicContact CD1-CD1 4.41Å; F510-I513 PolarHBondContact O-N 3.4Å; F510-A514 VanDerWaalsContact O-CB 3.3Å; F510-A514 WeakPolarHBondContact O-CB 3.35Å; F510-A514 PolarHBondContact O-N 3.45Å
511	N	79.9	Confident	73.4	Confident	84 Å²	84	68.8 Å²	68.8	45%	0.449	35%	0.345	S	S	.	.	H	α-helix	trans	-62.2	-40.3	174.1	-68.4	-11.5	0	0	0	111.3	Q507 N508 A514 Y515	Q507-N511 PolarHBondContact NE2-OD1 2.97Å; Q507-N511 VanDerWaalsContact NE2-OD1 3.09Å; Q507-N511 WeakPolarHBondContact O-CB 3.42Å; Q507-N511 PolarHBondContact O-N 3.08Å; Q507-N511 PolarHBondContact O-ND2 3.47Å; Q507-N511 PolarHBondContact O-OD1 3.3Å; N508-N511 PolarHBondContact O-N 3.37Å; N511-A514 PolarHBondContact O-N 3.28Å; N511-Y515 WeakPolarHBondContact O-CB 3.5Å; N511-Y515 PolarHBondContact O-N 3.05Å
512	A	77.8	Confident	73.9	Confident	52 Å²	52	69 Å²	69	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-67.7	-39.6	176.1	0	0	0	0	0	112.5	N508 L509 F510 Y515 T516	N508-A512 WeakPolarHBondContact O-CB 3.3Å; N508-A512 PolarHBondContact O-N 3.24Å; L509-A512 PolarHBondContact O-N 3.17Å; F510-A512 VanDerWaalsContact C-N 3.31Å; F510-A512 PolarHBondContact O-N 3.16Å; A512-Y515 PolarHBondContact O-N 2.99Å; A512-T516 WeakPolarHBondContact O-CB 3.41Å; A512-T516 WeakPolarHBondContact O-CG2 3.32Å; A512-T516 PolarHBondContact O-N 3.43Å; A512-T516 PolarHBondContact O-OG1 3.02Å
513	I	74.5	Confident	74.7	Confident	2 Å²	2	72.8 Å²	72.8	1%	0.01	37%	0.365	C	S	.	.	H	α-helix	trans	-62.6	-44.1	172.8	-70.3	170.4	0	0	0	110.1	F468 Q471 F472 L475 C484 L509 F510 Y515 T516 K517	F468-I513 HydrophobicContact CE2-CD1 4.23Å; Q471-I513 HydrophobicContact CB-CG2 4.43Å; F472-I513 HydrophobicContact CD2-CD1 4.34Å; L475-I513 HydrophobicContact CD1-CG1 4.19Å; L475-I513 HydrophobicContact CD1-CG2 4.14Å; L475-I513 HydrophobicContact CD2-CG2 4.06Å; L475-I513 HydrophobicContact CG-CG2 4.19Å; C484-I513 HydrophobicContact CB-CD1 4.11Å; L509-I513 HydrophobicContact CG-CD1 4.07Å; L509-I513 WeakPolarHBondContact O-CB 3.47Å; L509-I513 VanDerWaalsContact O-CG1 3.22Å; L509-I513 WeakPolarHBondContact O-CG1 3.3Å; L509-I513 PolarHBondContact O-N 3.42Å; F510-I513 HydrophobicContact CD1-CD1 4.41Å; F510-I513 PolarHBondContact O-N 3.4Å; I513-Y515 PolarHBondContact O-N 3.41Å; I513-T516 WeakPolarHBondContact CA-OG1 3.43Å; I513-T516 PolarHBondContact O-N 3.44Å; I513-T516 PolarHBondContact O-OG1 3.07Å; I513-K517 WeakPolarHBondContact O-CG 2.96Å; I513-K517 PolarHBondContact O-N 3.24Å; I513-K517 VanDerWaalsContact O-N 3.12Å
514	A	76.8	Confident	75.3	Confident	62 Å²	62	73.1 Å²	73.1	51%	0.512	36%	0.364	S	S	.	.	H	α-helix	trans	-66.3	-35.5	178.2	0	0	0	0	0	112.7	F510 N511 T516	F510-A514 VanDerWaalsContact O-CB 3.3Å; F510-A514 WeakPolarHBondContact O-CB 3.35Å; F510-A514 PolarHBondContact O-N 3.45Å; N511-A514 PolarHBondContact O-N 3.28Å; A514-T516 VanDerWaalsContact C-N 3.34Å
515	Y	79.4	Confident	75.6	Confident	206 Å²	206	66.4 Å²	66.4	81%	0.808	34%	0.344	S	S	*	.	H	α-helix	trans	-73.1	-26.1	175.7	-176.4	-94.1	0	0	0	113.2	N511 A512 I513	N511-Y515 WeakPolarHBondContact O-CB 3.5Å; N511-Y515 PolarHBondContact O-N 3.05Å; A512-Y515 PolarHBondContact O-N 2.99Å; I513-Y515 PolarHBondContact O-N 3.41Å
516	T	71.2	Confident	75.8	Confident	73 Å²	73	68.6 Å²	68.6	45%	0.448	36%	0.356	S	S	.	.	H	α-helix	trans	-87.4	-20.8	179.7	41.2	0	0	0	0	113.7	L480 A512 I513 A514	L480-T516 HydrophobicContact CD2-CG2 4.03Å; A512-T516 WeakPolarHBondContact O-CB 3.41Å; A512-T516 WeakPolarHBondContact O-CG2 3.32Å; A512-T516 PolarHBondContact O-N 3.43Å; A512-T516 PolarHBondContact O-OG1 3.02Å; I513-T516 WeakPolarHBondContact CA-OG1 3.43Å; I513-T516 PolarHBondContact O-N 3.44Å; I513-T516 PolarHBondContact O-OG1 3.07Å; A514-T516 VanDerWaalsContact C-N 3.34Å
517	K	67.8	Low	76.3	Confident	140 Å²	140	74.6 Å²	74.6	61%	0.609	39%	0.387	S	S	*	.			trans	-71.7	0	163.4	-72.2	-179.1	-179.1	-176.4	0	109.8	Q471 L475 I513	Q471-K517 WeakPolarHBondContact O-CE 2.97Å; Q471-K517 PolarHBondContact O-NZ 3.33Å; L475-K517 HydrophobicContact CD2-CG 4.01Å; I513-K517 WeakPolarHBondContact O-CG 2.96Å; I513-K517 PolarHBondContact O-N 3.24Å; I513-K517 VanDerWaalsContact O-N 3.12Å

Retrieved 517 of 517 residues in 339.5 ms (Link to these results)

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