A0A077ZBX9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZBX9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 343 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	28.2	Very low	26.3	Very low	246 Å²	246	136.2 Å²	136.2	100%	1.212	75%	0.753	S	S	*	*				0	108.3	0	-71	-179.7	170.2	0	0	107.5	S3	M1-S3 PolarHBondContact O-N 3.16Å
2	A	26.8	Very low	26.2	Very low	98 Å²	98	131.1 Å²	131.1	81%	0.81	76%	0.755	S	S	*	*			trans	-69.4	118.3	176.1	0	0	0	0	0	107.9	N4	A2-N4 PolarHBondContact O-N 3.21Å
3	S	27.6	Very low	26.5	Very low	103 Å²	103	135.1 Å²	135.1	72%	0.72	75%	0.752	S	S	*	*			trans	-66.8	115.7	179.1	57.9	0	0	0	0	108.8	M1 S5	M1-S3 PolarHBondContact O-N 3.16Å; S3-S5 PolarHBondContact O-N 3.29Å
4	N	24.1	Very low	26.4	Very low	160 Å²	160	133.1 Å²	133.1	86%	0.856	75%	0.752	S	S	*	*			trans	-66.4	61.9	168.1	-75	-22.2	0	0	0	110.4	A2 M6	A2-N4 PolarHBondContact O-N 3.21Å; N4-M6 PolarHBondContact O-N 3.32Å
5	S	23.4	Very low	26.5	Very low	92 Å²	92	131.6 Å²	131.6	64%	0.643	74%	0.741	S	S	*	*			trans	-68.6	93.1	166.1	56.7	0	0	0	0	106.6	S3 L7	S3-S5 PolarHBondContact O-N 3.29Å; S5-L7 PolarHBondContact O-N 3.42Å
6	M	22	Very low	26.6	Very low	184 Å²	184	130.6 Å²	130.6	91%	0.906	75%	0.746	S	S	*	*			trans	-56.8	113.8	165	-81.4	-167.5	173.2	0	0	106.7	N4	N4-M6 PolarHBondContact O-N 3.32Å
7	L	27.8	Very low	26.6	Very low	133 Å²	133	130.8 Å²	130.8	70%	0.696	74%	0.744	S	S	*	*			trans	-54.2	149	165.2	-70	166.7	0	0	0	108.3	S5 D9	S5-L7 PolarHBondContact O-N 3.42Å; L7-D9 PolarHBondContact O-N 3.41Å
8	P	25.1	Very low	26.6	Very low	105 Å²	105	128.2 Å²	128.2	68%	0.682	73%	0.734	S	S	*	*			trans	-51.9	135.3	174.5	20.1	-30.6	0	0	0	110.1	T10	P8-T10 WeakPolarHBondContact O-CG2 3.42Å; P8-T10 PolarHBondContact O-N 3Å
9	D	27.7	Very low	26.5	Very low	103 Å²	103	130.9 Å²	130.9	55%	0.551	75%	0.745	S	S	*	*			trans	-68.9	99.9	-179.8	-166.9	-18.3	0	0	0	109.3	L7 R11	L7-D9 PolarHBondContact O-N 3.41Å; D9-R11 VanDerWaalsContact C-N 3.27Å; D9-R11 PolarHBondContact O-N 2.97Å; D9-R11 VanDerWaalsContact OD1-CB 3.27Å; D9-R11 WeakPolarHBondContact OD1-CB 3.28Å; D9-R11 VanDerWaalsContact OD1-CG 3.25Å; D9-R11 WeakPolarHBondContact OD1-CG 3.32Å; D9-R11 IonicContact OD1-CZ 3.99Å; D9-R11 PolarHBondContact OD1-N 3.07Å; D9-R11 IonicContact OD1-NE 3.57Å; D9-R11 PolarHBondContact OD1-NE 3.27Å; D9-R11 IonicContact OD1-NH2 3.5Å; D9-R11 IonicContact OD2-CZ 3.84Å; D9-R11 IonicContact OD2-NE 3.87Å; D9-R11 PolarHBondContact OD2-NE 2.78Å; D9-R11 IonicContact OD2-NH2 3.27Å; D9-R11 PolarHBondContact OD2-NH2 3.32Å
10	T	28.1	Very low	26.5	Very low	75 Å²	75	129.3 Å²	129.3	46%	0.46	73%	0.733	S	S	.	*	G	3₁₀ helix	trans	-86.9	10.8	-177.9	59.4	0	0	0	0	113.2	P8 G12 Y13	P8-T10 WeakPolarHBondContact O-CG2 3.42Å; P8-T10 PolarHBondContact O-N 3Å; T10-G12 PolarHBondContact O-N 2.94Å; T10-Y13 HydrophobicContact CG2-CD2 4.34Å; T10-Y13 WeakPolarHBondContact O-CD2 3.46Å; T10-Y13 PolarHBondContact O-N 3.15Å
11	R	28.9	Very low	26.6	Very low	199 Å²	199	126.7 Å²	126.7	75%	0.751	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-59.6	-20.8	-179.3	-76.5	-178.4	-87.6	-170.6	-5.3	113.6	D9 Y13	D9-R11 VanDerWaalsContact C-N 3.27Å; D9-R11 PolarHBondContact O-N 2.97Å; D9-R11 VanDerWaalsContact OD1-CB 3.27Å; D9-R11 WeakPolarHBondContact OD1-CB 3.28Å; D9-R11 VanDerWaalsContact OD1-CG 3.25Å; D9-R11 WeakPolarHBondContact OD1-CG 3.32Å; D9-R11 IonicContact OD1-CZ 3.99Å; D9-R11 PolarHBondContact OD1-N 3.07Å; D9-R11 IonicContact OD1-NE 3.57Å; D9-R11 PolarHBondContact OD1-NE 3.27Å; D9-R11 IonicContact OD1-NH2 3.5Å; D9-R11 IonicContact OD2-CZ 3.84Å; D9-R11 IonicContact OD2-NE 3.87Å; D9-R11 PolarHBondContact OD2-NE 2.78Å; D9-R11 IonicContact OD2-NH2 3.27Å; D9-R11 PolarHBondContact OD2-NH2 3.32Å; R11-Y13 VanDerWaalsContact C-N 3.26Å; R11-Y13 PolarHBondContact O-N 2.93Å
12	G	24.9	Very low	26.5	Very low	75 Å²	75	123.7 Å²	123.7	77%	0.773	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-70.2	-13	174	0	0	0	0	0	115.7	T10 S14	T10-G12 PolarHBondContact O-N 2.94Å; G12-S14 PolarHBondContact O-N 3.17Å
13	Y	30.1	Very low	26.7	Very low	183 Å²	183	127.7 Å²	127.7	72%	0.718	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-96.6	24.6	-176.8	-60.1	-80.9	0	0	0	113.3	T10 R11 N15	T10-Y13 HydrophobicContact CG2-CD2 4.34Å; T10-Y13 WeakPolarHBondContact O-CD2 3.46Å; T10-Y13 PolarHBondContact O-N 3.15Å; R11-Y13 VanDerWaalsContact C-N 3.26Å; R11-Y13 PolarHBondContact O-N 2.93Å; Y13-N15 PolarHBondContact O-N 3.41Å
14	S	25.7	Very low	26.6	Very low	108 Å²	108	132.5 Å²	132.5	76%	0.755	70%	0.701	S	S	*	*			trans	-75.8	61.8	176.8	73.9	0	0	0	0	111.6	G12	G12-S14 PolarHBondContact O-N 3.17Å
15	N	27.4	Very low	26.9	Very low	110 Å²	110	129.1 Å²	129.1	59%	0.588	68%	0.682	S	S	*	*			trans	-100.6	113.1	168.1	-121.2	-15.6	0	0	0	108.7	Y13 N17 C18	Y13-N15 PolarHBondContact O-N 3.41Å; N15-N17 PolarHBondContact O-N 3.46Å; N15-C18 PolarHBondContact O-N 3Å; N15-C18 PolarHBondContact O-SG 3.32Å
16	S	27.2	Very low	27.1	Very low	116 Å²	116	129.2 Å²	129.2	81%	0.811	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-5.4	172	45.9	0	0	0	0	113.7	C18	S16-C18 PolarHBondContact O-N 3.19Å
17	N	27.5	Very low	27.4	Very low	134 Å²	134	123.3 Å²	123.3	72%	0.717	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	0.6	171.6	-68.5	-16.9	0	0	0	113.8	N15 L19	N15-N17 PolarHBondContact O-N 3.46Å; N17-L19 PolarHBondContact O-N 2.96Å
18	C	25.9	Very low	27.4	Very low	83 Å²	83	127.8 Å²	127.8	56%	0.561	66%	0.66	S	S	*	*	S	Bend	trans	-68	117	165.2	-62.9	0	0	0	0	109.2	N15 S16 I20	N15-C18 PolarHBondContact O-N 3Å; N15-C18 PolarHBondContact O-SG 3.32Å; S16-C18 PolarHBondContact O-N 3.19Å; C18-I20 PolarHBondContact O-N 3.33Å
19	L	25.7	Very low	27.4	Very low	180 Å²	180	130.8 Å²	130.8	94%	0.942	66%	0.663	S	S	*	*	S	Bend	trans	-61.5	1.6	-174	-82.7	161.9	0	0	0	115.9	N17	N17-L19 PolarHBondContact O-N 2.96Å
20	I	26.7	Very low	27.5	Very low	99 Å²	99	130.4 Å²	130.4	51%	0.508	66%	0.657	S	S	.	*	S	Bend	trans	-136.8	132	167.3	-57.3	-174.2	0	0	0	109.9	C18 R24	C18-I20 PolarHBondContact O-N 3.33Å; I20-R24 HydrophobicContact CG2-CB 4.1Å; I20-R24 HydrophobicContact CG2-CG 4.4Å
21	P	27	Very low	27.2	Very low	75 Å²	75	133.5 Å²	133.5	49%	0.487	67%	0.67	S	S	.	*			trans	-59	137	178	-22.5	32.1	0	0	0	112.9	E23 R24	P21-E23 PolarHBondContact O-N 2.84Å; P21-R24 PolarHBondContact O-N 2.96Å
22	W	27.4	Very low	27	Very low	182 Å²	182	134.3 Å²	134.3	69%	0.689	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-56.1	-24.7	179.1	-151.4	71.3	0	0	0	113.2	R24 L25	W22-R24 PolarHBondContact O-N 2.87Å; W22-R24 VanDerWaalsContact O-N 3.08Å; W22-L25 WeakPolarHBondContact O-CB 3.09Å; W22-L25 PolarHBondContact O-N 3.22Å
23	E	30	Very low	27.2	Very low	183 Å²	183	134 Å²	134	86%	0.855	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-56.9	-21.7	174.3	-63.1	163.9	-172.8	0	0	113.4	P21	P21-E23 PolarHBondContact O-N 2.84Å
24	R	25.8	Very low	27.2	Very low	203 Å²	203	131.6 Å²	131.6	77%	0.766	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-86.1	-4.3	174.2	-71	-173.5	169.3	-176.5	-1.4	114	I20 P21 W22	I20-R24 HydrophobicContact CG2-CB 4.1Å; I20-R24 HydrophobicContact CG2-CG 4.4Å; P21-R24 PolarHBondContact O-N 2.96Å; W22-R24 PolarHBondContact O-N 2.87Å; W22-R24 VanDerWaalsContact O-N 3.08Å
25	L	30.1	Very low	27.6	Very low	90 Å²	90	136 Å²	136	47%	0.471	65%	0.652	S	S	.	*	S	Bend	trans	-103.2	81.8	179.3	-63.8	167.9	0	0	0	109.1	W22 S27	W22-L25 WeakPolarHBondContact O-CB 3.09Å; W22-L25 PolarHBondContact O-N 3.22Å; L25-S27 PolarHBondContact O-N 3.43Å
26	D	28.3	Very low	28	Very low	93 Å²	93	134.2 Å²	134.2	50%	0.497	66%	0.66	S	S	.	*			trans	-61.1	102	174.6	-177.7	0.2	0	0	0	110	R28	D26-R28 PolarHBondContact O-N 2.76Å; D26-R28 VanDerWaalsContact O-N 3.16Å; D26-R28 PolarHBondContact OD1-N 3.37Å
27	S	28.3	Very low	28.6	Very low	61 Å²	61	132.7 Å²	132.7	43%	0.427	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.2	-0.2	-172.1	57.5	0	0	0	0	114.4	L25 H30	L25-S27 PolarHBondContact O-N 3.43Å; S27-H30 WeakPolarHBondContact CA-NE2 3.36Å; S27-H30 PolarHBondContact O-CD2 3.16Å; S27-H30 PolarHBondContact O-NE2 3.38Å
28	R	27.8	Very low	29	Very low	226 Å²	226	134.9 Å²	134.9	85%	0.853	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-2.6	-174.2	-66.7	-172.6	-177.5	-175.7	2.2	114.8	D26	D26-R28 PolarHBondContact O-N 2.76Å; D26-R28 VanDerWaalsContact O-N 3.16Å; D26-R28 PolarHBondContact OD1-N 3.37Å
29	K	25.6	Very low	29.6	Very low	169 Å²	169	133.7 Å²	133.7	74%	0.735	64%	0.639	S	S	*	*			trans	-99.6	12.8	176.9	-67.2	-176.6	-177.3	173.8	0	114.2
30	H	28.2	Very low	30.3	Very low	95 Å²	95	126.7 Å²	126.7	44%	0.44	61%	0.606	S	S	.	*			trans	-67.8	132.4	178.6	-58.7	-33.9	0	0	0	111.2	S27	S27-H30 WeakPolarHBondContact CA-NE2 3.36Å; S27-H30 PolarHBondContact O-CD2 3.16Å; S27-H30 PolarHBondContact O-NE2 3.38Å
31	L	23.6	Very low	30.9	Very low	140 Å²	140	123.8 Å²	123.8	73%	0.733	60%	0.595	S	S	*	*	S	Bend	trans	84	77.1	179	-57.6	155.2	0	0	0	115.7
32	R	23.4	Very low	31.5	Very low	216 Å²	216	123.6 Å²	123.6	82%	0.815	59%	0.589	S	S	*	*			trans	-173.5	116.3	139	-102.5	158.5	-168.4	-169	4.3	109	L34	R32-L34 VanDerWaalsContact C-N 3.3Å; R32-L34 PolarHBondContact O-N 3.32Å
33	I	30.3	Very low	32.3	Very low	67 Å²	67	120.5 Å²	120.5	34%	0.344	58%	0.581	S	S	.	*			trans	-65.7	96.4	164.1	-58.8	-163.9	0	0	0	106.9	Y88	I33-Y88 HydrophobicContact CD1-CD2 3.72Å; I33-Y88 HydrophobicContact CD1-CE2 3.14Å; I33-Y88 HydrophobicContact CG1-CD2 4.11Å; I33-Y88 HydrophobicContact CG1-CE2 3.6Å
34	L	29.2	Very low	32.9	Very low	134 Å²	134	115.6 Å²	115.6	70%	0.702	56%	0.557	S	S	*	*			trans	-80.4	119.1	165.8	-77.9	162.2	0	0	0	106.7	R32 G36 D37	R32-L34 VanDerWaalsContact C-N 3.3Å; R32-L34 PolarHBondContact O-N 3.32Å; L34-G36 PolarHBondContact O-N 2.96Å; L34-D37 PolarHBondContact O-N 3.34Å
35	R	34.4	Very low	33.7	Very low	199 Å²	199	106.7 Å²	106.7	75%	0.751	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	8.4	-177.8	-93	-176.6	176.2	-170.9	-1.3	117.3	D85	R35-D85 IonicContact NE-OD1 2.63Å; R35-D85 IonicContact NH2-OD1 3.1Å; R35-D85 PolarHBondContact NH2-OD1 3.43Å; R35-D85 IonicContact NH2-OD2 2.85Å; R35-D85 PolarHBondContact NH2-OD2 2.95Å
36	G	35	Very low	34.3	Very low	73 Å²	73	102.7 Å²	102.7	75%	0.753	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.6	-10.7	-174.9	0	0	0	0	0	116.4	L34	L34-G36 PolarHBondContact O-N 2.96Å
37	D	40.4	Very low	35.1	Very low	84 Å²	84	101.6 Å²	101.6	45%	0.449	50%	0.501	S	S	.	.			trans	-105.8	89.8	-173.8	-163.7	-13.7	0	0	0	112.4	L34 S39 A40 S41	L34-D37 PolarHBondContact O-N 3.34Å; D37-S39 PolarHBondContact O-N 3.36Å; D37-S39 WeakPolarHBondContact OD1-CA 3.35Å; D37-S39 WeakPolarHBondContact OD1-CB 3.45Å; D37-S39 PolarHBondContact OD1-N 3.03Å; D37-A40 HydrophobicContact CB-CB 4Å; D37-A40 PolarHBondContact O-N 3.25Å; D37-A40 PolarHBondContact OD1-N 3.18Å; D37-S41 PolarHBondContact O-N 2.97Å; D37-S41 PolarHBondContact O-OG 3.22Å; D37-S41 VanDerWaalsContact O-OG 3.13Å
38	K	36.4	Very low	35.7	Very low	180 Å²	180	104.1 Å²	104.1	78%	0.783	50%	0.501	S	S	*	.	H	α-helix	trans	-56.3	-34	173.1	-72.4	-178.1	177.9	179.4	0	111.7	S41 I42	K38-S41 PolarHBondContact O-N 3.49Å; K38-I42 VanDerWaalsContact O-CG1 3.28Å; K38-I42 WeakPolarHBondContact O-CG1 3.49Å; K38-I42 PolarHBondContact O-N 2.88Å; K38-I42 VanDerWaalsContact O-N 3.16Å
39	S	37.6	Very low	36.4	Very low	59 Å²	59	93.6 Å²	93.6	41%	0.413	46%	0.462	S	S	.	.	H	α-helix	trans	-67	-43.8	-179.4	-170.9	0	0	0	0	111.4	D37 S41 I42 K43	D37-S39 PolarHBondContact O-N 3.36Å; D37-S39 WeakPolarHBondContact OD1-CA 3.35Å; D37-S39 WeakPolarHBondContact OD1-CB 3.45Å; D37-S39 PolarHBondContact OD1-N 3.03Å; S39-S41 VanDerWaalsContact C-N 3.33Å; S39-S41 PolarHBondContact O-N 3.04Å; S39-I42 PolarHBondContact O-N 3.18Å; S39-K43 VanDerWaalsContact O-CG 3.31Å; S39-K43 WeakPolarHBondContact O-CG 3.32Å; S39-K43 PolarHBondContact O-N 3.3Å; S39-K43 VanDerWaalsContact O-N 3.07Å
40	A	41.1	Very low	37.1	Very low	32 Å²	32	90.1 Å²	90.1	26%	0.264	45%	0.445	S	S	.	.	H	α-helix	trans	-63	-39.8	176.4	0	0	0	0	0	112.1	D37 K43 H44	D37-A40 HydrophobicContact CB-CB 4Å; D37-A40 PolarHBondContact O-N 3.25Å; D37-A40 PolarHBondContact OD1-N 3.18Å; A40-K43 PolarHBondContact O-N 3.31Å; A40-H44 PolarHBondContact O-CD2 3.5Å; A40-H44 PolarHBondContact O-N 3.44Å
41	S	38.8	Very low	37.6	Very low	39 Å²	39	89.9 Å²	89.9	27%	0.273	45%	0.454	S	S	.	.	H	α-helix	trans	-62.9	-44.8	179.7	-55.4	0	0	0	0	111.9	D37 K38 S39 H44 A45	D37-S41 PolarHBondContact O-N 2.97Å; D37-S41 PolarHBondContact O-OG 3.22Å; D37-S41 VanDerWaalsContact O-OG 3.13Å; K38-S41 PolarHBondContact O-N 3.49Å; S39-S41 VanDerWaalsContact C-N 3.33Å; S39-S41 PolarHBondContact O-N 3.04Å; S41-H44 PolarHBondContact O-N 3.13Å; S41-A45 WeakPolarHBondContact O-CB 3.47Å; S41-A45 PolarHBondContact O-N 3.24Å
42	I	40	Very low	38.3	Very low	71 Å²	71	83.5 Å²	83.5	36%	0.364	42%	0.421	S	S	.	.	H	α-helix	trans	-61	-46.8	174.7	-64.2	173.8	0	0	0	110.3	K38 S39 H44 A45 I46 V69	K38-I42 VanDerWaalsContact O-CG1 3.28Å; K38-I42 WeakPolarHBondContact O-CG1 3.49Å; K38-I42 PolarHBondContact O-N 2.88Å; K38-I42 VanDerWaalsContact O-N 3.16Å; S39-I42 PolarHBondContact O-N 3.18Å; I42-H44 VanDerWaalsContact C-N 3.33Å; I42-H44 PolarHBondContact O-N 3.16Å; I42-A45 PolarHBondContact O-N 3.2Å; I42-I46 HydrophobicContact CG2-CD1 3.71Å; I42-I46 HydrophobicContact CG2-CG1 4.45Å; I42-I46 WeakPolarHBondContact O-CD1 3.14Å; I42-I46 WeakPolarHBondContact O-CG1 3.18Å; I42-I46 PolarHBondContact O-N 2.85Å; I42-V69 HydrophobicContact CB-CG2 4.08Å; I42-V69 HydrophobicContact CD1-CG2 4.21Å; I42-V69 HydrophobicContact CG1-CG2 3.69Å; I42-V69 HydrophobicContact CG2-CG2 3.6Å
43	K	43.7	Very low	38.9	Very low	117 Å²	117	75.2 Å²	75.2	51%	0.509	40%	0.402	S	S	.	.	H	α-helix	trans	-60.3	-39.7	177.2	-72.3	172.8	-175.9	175.9	0	112.8	S39 A40 I46 N47	S39-K43 VanDerWaalsContact O-CG 3.31Å; S39-K43 WeakPolarHBondContact O-CG 3.32Å; S39-K43 PolarHBondContact O-N 3.3Å; S39-K43 VanDerWaalsContact O-N 3.07Å; A40-K43 PolarHBondContact O-N 3.31Å; K43-I46 WeakPolarHBondContact O-CB 3.43Å; K43-I46 PolarHBondContact O-N 2.95Å; K43-N47 WeakPolarHBondContact O-CB 3.43Å; K43-N47 PolarHBondContact O-N 3.03Å
44	H	43.8	Very low	39.3	Very low	79 Å²	79	72.7 Å²	72.7	37%	0.366	39%	0.389	S	S	.	.	H	α-helix	trans	-67.2	-45.1	176.6	-82	-55.6	0	0	0	112.3	A40 S41 I42 I46 N47 W48	A40-H44 PolarHBondContact O-CD2 3.5Å; A40-H44 PolarHBondContact O-N 3.44Å; S41-H44 PolarHBondContact O-N 3.13Å; I42-H44 VanDerWaalsContact C-N 3.33Å; I42-H44 PolarHBondContact O-N 3.16Å; H44-I46 VanDerWaalsContact C-N 3.29Å; H44-I46 PolarHBondContact O-N 3.4Å; H44-N47 PolarHBondContact O-N 3.35Å; H44-W48 WeakPolarHBondContact O-CB 3.38Å; H44-W48 PolarHBondContact O-N 3.24Å
45	A	42.7	Very low	39.9	Very low	17 Å²	17	67.8 Å²	67.8	14%	0.14	36%	0.363	C	S	.	.	H	α-helix	trans	-58.8	-46.5	176.6	0	0	0	0	0	109.5	S41 I42 N47 W48 V49 A68	S41-A45 WeakPolarHBondContact O-CB 3.47Å; S41-A45 PolarHBondContact O-N 3.24Å; I42-A45 PolarHBondContact O-N 3.2Å; A45-N47 PolarHBondContact O-N 3.43Å; A45-W48 PolarHBondContact O-N 2.74Å; A45-V49 VanDerWaalsContact O-CB 3.28Å; A45-V49 WeakPolarHBondContact O-CB 3.43Å; A45-V49 WeakPolarHBondContact O-CG2 3.37Å; A45-V49 PolarHBondContact O-N 3.13Å; A45-A68 HydrophobicContact CB-CB 3.36Å; A45-A68 WeakPolarHBondContact O-CB 3.23Å
46	I	41.3	Very low	40.3	Very low	6 Å²	6	58.9 Å²	58.9	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-54.7	-50.5	174.2	-70.7	159.8	0	0	0	111.1	I42 K43 H44 W48 V49 Y50 Y61 A65 A68	I42-I46 HydrophobicContact CG2-CD1 3.71Å; I42-I46 HydrophobicContact CG2-CG1 4.45Å; I42-I46 WeakPolarHBondContact O-CD1 3.14Å; I42-I46 WeakPolarHBondContact O-CG1 3.18Å; I42-I46 PolarHBondContact O-N 2.85Å; K43-I46 WeakPolarHBondContact O-CB 3.43Å; K43-I46 PolarHBondContact O-N 2.95Å; H44-I46 VanDerWaalsContact C-N 3.29Å; H44-I46 PolarHBondContact O-N 3.4Å; I46-W48 PolarHBondContact O-N 3.25Å; I46-V49 VanDerWaalsContact O-CB 3.31Å; I46-V49 WeakPolarHBondContact O-CB 3.5Å; I46-V49 PolarHBondContact O-N 2.99Å; I46-Y50 HydrophobicContact CG2-CD2 3.69Å; I46-Y50 HydrophobicContact CG2-CE2 3.9Å; I46-Y50 WeakPolarHBondContact O-CD2 3.36Å; I46-Y50 PolarHBondContact O-N 3.29Å; I46-Y61 HydrophobicContact CD1-CE1 4.41Å; I46-Y61 HydrophobicContact CG2-CD2 4.38Å; I46-Y61 HydrophobicContact CG2-CE2 3.57Å; I46-A65 HydrophobicContact CD1-CB 3.38Å; I46-A65 HydrophobicContact CG1-CB 3.41Å; I46-A65 VanDerWaalsContact CG1-CB 3.41Å; I46-A68 HydrophobicContact CG1-CB 4.4Å
47	N	44.6	Very low	40.6	Very low	69 Å²	69	61.6 Å²	61.6	37%	0.369	33%	0.328	S	S	.	.	H	α-helix	trans	-65.6	-40.6	-177.3	-78	-13.5	0	0	0	112.4	K43 H44 A45 V49 Y50 S51	K43-N47 WeakPolarHBondContact O-CB 3.43Å; K43-N47 PolarHBondContact O-N 3.03Å; H44-N47 PolarHBondContact O-N 3.35Å; A45-N47 PolarHBondContact O-N 3.43Å; N47-V49 VanDerWaalsContact C-N 3.31Å; N47-Y50 PolarHBondContact O-N 3.47Å; N47-S51 WeakPolarHBondContact O-CB 3.45Å; N47-S51 PolarHBondContact O-N 2.88Å; N47-S51 PolarHBondContact O-OG 2.93Å
48	W	41.6	Very low	40.5	Very low	115 Å²	115	66.4 Å²	66.4	44%	0.436	34%	0.341	S	S	.	.	H	α-helix	trans	-60.2	-44.6	173.1	178.2	80.9	0	0	0	110.7	H44 A45 I46 Y50 S51 S52 L54 I105	H44-W48 WeakPolarHBondContact O-CB 3.38Å; H44-W48 PolarHBondContact O-N 3.24Å; A45-W48 PolarHBondContact O-N 2.74Å; I46-W48 PolarHBondContact O-N 3.25Å; W48-Y50 VanDerWaalsContact C-N 3.35Å; W48-Y50 PolarHBondContact O-N 2.99Å; W48-S51 WeakPolarHBondContact CA-OG 3.47Å; W48-S51 PolarHBondContact O-N 3.15Å; W48-S51 PolarHBondContact O-OG 3.24Å; W48-S52 WeakPolarHBondContact O-CB 3.41Å; W48-S52 PolarHBondContact O-N 3.46Å; W48-S52 PolarHBondContact O-OG 2.88Å; W48-L54 HydrophobicContact CH2-CD1 4.08Å; W48-L54 HydrophobicContact CZ3-CD1 4.12Å; W48-I105 HydrophobicContact CH2-CG2 4.39Å
49	V	43.1	Very low	40.7	Very low	5 Å²	5	58.5 Å²	58.5	3%	0.03	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-41	175	141.9	0	0	0	0	112.8	A45 I46 N47 S52 F55 A64 A68	A45-V49 VanDerWaalsContact O-CB 3.28Å; A45-V49 WeakPolarHBondContact O-CB 3.43Å; A45-V49 WeakPolarHBondContact O-CG2 3.37Å; A45-V49 PolarHBondContact O-N 3.13Å; I46-V49 VanDerWaalsContact O-CB 3.31Å; I46-V49 WeakPolarHBondContact O-CB 3.5Å; I46-V49 PolarHBondContact O-N 2.99Å; N47-V49 VanDerWaalsContact C-N 3.31Å; V49-S52 VanDerWaalsContact CA-OG 3.31Å; V49-S52 WeakPolarHBondContact CA-OG 3.43Å; V49-S52 PolarHBondContact O-OG 3.05Å; V49-F55 HydrophobicContact CB-CD2 4.47Å; V49-F55 HydrophobicContact CB-CE2 3.98Å; V49-F55 HydrophobicContact CG1-CD2 3.42Å; V49-F55 VanDerWaalsContact CG1-CD2 3.42Å; V49-F55 HydrophobicContact CG1-CE2 3.12Å; V49-F55 HydrophobicContact CG1-CZ 4.06Å; V49-F55 HydrophobicContact CG2-CE2 3.94Å; V49-A64 HydrophobicContact CG1-CB 3.7Å; V49-A68 HydrophobicContact CB-CB 4.25Å; V49-A68 HydrophobicContact CG2-CB 3.71Å
50	Y	40.1	Very low	40.8	Very low	95 Å²	95	57.5 Å²	57.5	37%	0.373	30%	0.298	S	S	.	.	H	α-helix	trans	-74.3	-43.6	177.9	-92.6	-71.7	0	0	0	112.7	I46 N47 W48 S52 G53 Y61 A64	I46-Y50 HydrophobicContact CG2-CD2 3.69Å; I46-Y50 HydrophobicContact CG2-CE2 3.9Å; I46-Y50 WeakPolarHBondContact O-CD2 3.36Å; I46-Y50 PolarHBondContact O-N 3.29Å; N47-Y50 PolarHBondContact O-N 3.47Å; W48-Y50 VanDerWaalsContact C-N 3.35Å; W48-Y50 PolarHBondContact O-N 2.99Å; Y50-S52 VanDerWaalsContact C-N 3.28Å; Y50-S52 PolarHBondContact O-N 2.76Å; Y50-G53 PolarHBondContact O-N 3.13Å; Y50-Y61 HydrophobicContact CD2-CD2 4.38Å; Y50-Y61 HydrophobicContact CD2-CE2 4.44Å; Y50-Y61 AromaticContact CE2-CD2 3.38Å; Y50-Y61 HydrophobicContact CE2-CD2 3.38Å; Y50-Y61 AromaticContact CE2-CE2 3.81Å; Y50-Y61 HydrophobicContact CE2-CE2 3.81Å; Y50-Y61 HydrophobicContact CE2-CG 4.29Å; Y50-Y61 AromaticContact CZ-CD2 3.79Å; Y50-Y61 WeakPolarHBondContact OH-CA 3.43Å; Y50-Y61 WeakPolarHBondContact OH-CB 3.4Å; Y50-A64 HydrophobicContact CD2-CB 4.18Å; Y50-A64 HydrophobicContact CE2-CB 3.49Å; Y50-A64 VanDerWaalsContact CE2-CB 3.49Å
51	S	38.2	Very low	40.7	Very low	90 Å²	90	61.2 Å²	61.2	63%	0.629	31%	0.306	S	S	*	.	H	α-helix	trans	-73.6	-20	-178.3	51.1	0	0	0	0	113.4	N47 W48 G53	N47-S51 WeakPolarHBondContact O-CB 3.45Å; N47-S51 PolarHBondContact O-N 2.88Å; N47-S51 PolarHBondContact O-OG 2.93Å; W48-S51 WeakPolarHBondContact CA-OG 3.47Å; W48-S51 PolarHBondContact O-N 3.15Å; W48-S51 PolarHBondContact O-OG 3.24Å; S51-G53 PolarHBondContact O-N 2.72Å
52	S	37.7	Very low	40.6	Very low	7 Å²	7	66.6 Å²	66.6	5%	0.049	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-5	171.9	46.4	0	0	0	0	113.7	W48 V49 Y50 L54 L256 T257 G258	W48-S52 WeakPolarHBondContact O-CB 3.41Å; W48-S52 PolarHBondContact O-N 3.46Å; W48-S52 PolarHBondContact O-OG 2.88Å; V49-S52 VanDerWaalsContact CA-OG 3.31Å; V49-S52 WeakPolarHBondContact CA-OG 3.43Å; V49-S52 PolarHBondContact O-OG 3.05Å; Y50-S52 VanDerWaalsContact C-N 3.28Å; Y50-S52 PolarHBondContact O-N 2.76Å; S52-L54 PolarHBondContact O-N 2.7Å; S52-L54 WeakPolarHBondContact OG-CD1 3.45Å; S52-L256 WeakPolarHBondContact CB-O 3.45Å; S52-L256 CarbonylContact O-C 3.5Å; S52-T257 CarbonylContact O-C 3.54Å; S52-G258 WeakPolarHBondContact O-CA 3.48Å; S52-G258 PolarHBondContact O-N 3.4Å
53	G	37.4	Very low	40.7	Very low	41 Å²	41	63.2 Å²	63.2	42%	0.423	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	24.5	-176.1	0	0	0	0	0	113.4	Y50 S51 F55	Y50-G53 PolarHBondContact O-N 3.13Å; S51-G53 PolarHBondContact O-N 2.72Å; G53-F55 PolarHBondContact O-N 2.68Å
54	L	38.3	Very low	40.7	Very low	14 Å²	14	57.6 Å²	57.6	7%	0.073	28%	0.28	C	S	.	.			trans	-70.2	-20.4	-175.3	-94	168	0	0	0	113.5	W48 S52 S122 L256	W48-L54 HydrophobicContact CH2-CD1 4.08Å; W48-L54 HydrophobicContact CZ3-CD1 4.12Å; S52-L54 PolarHBondContact O-N 2.7Å; S52-L54 WeakPolarHBondContact OG-CD1 3.45Å; L54-S122 WeakPolarHBondContact O-CB 3.35Å; L54-S122 PolarHBondContact O-OG 3.13Å; L54-L256 HydrophobicContact CD1-CB 4.13Å; L54-L256 HydrophobicContact CD1-CD2 3.67Å; L54-L256 HydrophobicContact CD1-CG 4.45Å; L54-L256 HydrophobicContact CD2-CB 4.02Å; L54-L256 HydrophobicContact CD2-CD2 3.12Å; L54-L256 HydrophobicContact CD2-CG 3.87Å; L54-L256 HydrophobicContact CG-CB 4.17Å; L54-L256 HydrophobicContact CG-CD2 3.9Å
55	F	42.4	Very low	40.5	Very low	31 Å²	31	54.5 Å²	54.5	14%	0.136	27%	0.267	C	S	.	.	S	Bend	trans	-107.8	132.5	-172.9	-73.4	-81.9	0	0	0	109.8	V49 G53 T59 W67 L118	V49-F55 HydrophobicContact CB-CD2 4.47Å; V49-F55 HydrophobicContact CB-CE2 3.98Å; V49-F55 HydrophobicContact CG1-CD2 3.42Å; V49-F55 VanDerWaalsContact CG1-CD2 3.42Å; V49-F55 HydrophobicContact CG1-CE2 3.12Å; V49-F55 HydrophobicContact CG1-CZ 4.06Å; V49-F55 HydrophobicContact CG2-CE2 3.94Å; G53-F55 PolarHBondContact O-N 2.68Å; F55-T59 HydrophobicContact CB-CG2 4.2Å; F55-T59 HydrophobicContact CD1-CG2 3.57Å; F55-T59 HydrophobicContact CE1-CG2 4.3Å; F55-T59 HydrophobicContact CG-CG2 4.14Å; F55-W67 HydrophobicContact CE1-CB 4.42Å; F55-W67 AromaticContact CE1-CD1 3.47Å; F55-W67 VanDerWaalsContact CE1-CD1 3.47Å; F55-W67 HydrophobicContact CE1-CG 4.11Å; F55-W67 HydrophobicContact CZ-CB 3.76Å; F55-W67 AromaticContact CZ-CD1 3.7Å; F55-W67 AromaticContact CZ-CG 3.89Å; F55-W67 HydrophobicContact CZ-CG 3.89Å; F55-L118 HydrophobicContact CD1-CD2 4.28Å; F55-L118 HydrophobicContact CE1-CD1 4.42Å; F55-L118 HydrophobicContact CE1-CD2 3.68Å; F55-L118 HydrophobicContact CZ-CD1 4.48Å; F55-L118 HydrophobicContact CZ-CD2 4.45Å
56	P	41.3	Very low	40.5	Very low	13 Å²	13	53.8 Å²	53.8	8%	0.084	26%	0.261	C	S	.	.			trans	-49	149.8	168.9	-26.9	34.8	0	0	0	111.2	Y58 T59 S125 V159	P56-Y58 PolarHBondContact O-N 3.49Å; P56-T59 PolarHBondContact O-N 2.84Å; P56-T59 VanDerWaalsContact O-N 3.12Å; P56-T59 PolarHBondContact O-OG1 3.34Å; P56-S125 WeakPolarHBondContact CB-OG 3.48Å; P56-V159 HydrophobicContact CB-CG1 4.38Å; P56-V159 HydrophobicContact CG-CG1 3.84Å
57	D	41.2	Very low	40.7	Very low	129 Å²	129	54.2 Å²	54.2	69%	0.69	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46	141.2	160.8	-74.5	-28.8	0	0	0	109	T59	D57-T59 PolarHBondContact O-N 2.94Å
58	Y	40	Very low	40.8	Very low	186 Å²	186	51 Å²	51	73%	0.729	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	8.2	-176.7	-42.5	-75.1	0	0	0	117.2	P56 D60	P56-Y58 PolarHBondContact O-N 3.49Å; Y58-D60 PolarHBondContact O-N 2.76Å
59	T	40.9	Very low	40.8	Very low	13 Å²	13	48.3 Å²	48.3	8%	0.08	24%	0.242	C	C	.	.			trans	-64	127.1	167.2	-55.7	0	0	0	0	110.1	F55 P56 D57 A63 A163	F55-T59 HydrophobicContact CB-CG2 4.2Å; F55-T59 HydrophobicContact CD1-CG2 3.57Å; F55-T59 HydrophobicContact CE1-CG2 4.3Å; F55-T59 HydrophobicContact CG-CG2 4.14Å; P56-T59 PolarHBondContact O-N 2.84Å; P56-T59 VanDerWaalsContact O-N 3.12Å; P56-T59 PolarHBondContact O-OG1 3.34Å; D57-T59 PolarHBondContact O-N 2.94Å; T59-A63 HydrophobicContact CG2-CB 3.97Å; T59-A163 HydrophobicContact CG2-CB 4.09Å
60	D	39.2	Very low	40.8	Very low	39 Å²	39	49.1 Å²	49.1	21%	0.209	25%	0.246	C	C	.	.			trans	-62.4	143.9	178	109.7	49.6	0	0	0	111	Y58 Y62 A63 A64 T165 F184	Y58-D60 PolarHBondContact O-N 2.76Å; D60-Y62 PolarHBondContact O-N 3.46Å; D60-Y62 WeakPolarHBondContact OD1-CA 3.42Å; D60-Y62 WeakPolarHBondContact OD1-CB 3.31Å; D60-Y62 PolarHBondContact OD1-N 3.39Å; D60-A63 VanDerWaalsContact O-CB 3.26Å; D60-A63 WeakPolarHBondContact O-CB 3.25Å; D60-A63 PolarHBondContact O-N 2.87Å; D60-A63 PolarHBondContact OD1-N 2.94Å; D60-A64 PolarHBondContact O-N 2.96Å; D60-A64 VanDerWaalsContact O-N 3.09Å; D60-T165 VanDerWaalsContact CG-OG1 3.27Å; D60-T165 PolarHBondContact OD1-OG1 3.06Å; D60-T165 PolarHBondContact OD2-OG1 3.18Å; D60-F184 WeakPolarHBondContact OD2-CZ 3.43Å
61	Y	39.6	Very low	41	Very low	110 Å²	110	45.6 Å²	45.6	43%	0.431	24%	0.237	S	C	.	.	H	α-helix	trans	-65.1	-35.9	-176.9	178.6	-86.9	0	0	0	114.5	I46 Y50 A63 A65	I46-Y61 HydrophobicContact CD1-CE1 4.41Å; I46-Y61 HydrophobicContact CG2-CD2 4.38Å; I46-Y61 HydrophobicContact CG2-CE2 3.57Å; Y50-Y61 HydrophobicContact CD2-CD2 4.38Å; Y50-Y61 HydrophobicContact CD2-CE2 4.44Å; Y50-Y61 AromaticContact CE2-CD2 3.38Å; Y50-Y61 HydrophobicContact CE2-CD2 3.38Å; Y50-Y61 AromaticContact CE2-CE2 3.81Å; Y50-Y61 HydrophobicContact CE2-CE2 3.81Å; Y50-Y61 HydrophobicContact CE2-CG 4.29Å; Y50-Y61 AromaticContact CZ-CD2 3.79Å; Y50-Y61 WeakPolarHBondContact OH-CA 3.43Å; Y50-Y61 WeakPolarHBondContact OH-CB 3.4Å; Y61-A63 PolarHBondContact O-N 3.27Å; Y61-A65 VanDerWaalsContact O-CB 3.28Å; Y61-A65 WeakPolarHBondContact O-CB 3.22Å; Y61-A65 PolarHBondContact O-N 3.12Å
62	Y	36.2	Very low	41	Very low	151 Å²	151	45.3 Å²	45.3	59%	0.592	23%	0.225	S	C	*	.	H	α-helix	trans	-64.4	-29	171.6	-60.3	-76.9	0	0	0	111.6	D60 A65 A66 T165 V183	D60-Y62 PolarHBondContact O-N 3.46Å; D60-Y62 WeakPolarHBondContact OD1-CA 3.42Å; D60-Y62 WeakPolarHBondContact OD1-CB 3.31Å; D60-Y62 PolarHBondContact OD1-N 3.39Å; Y62-A65 PolarHBondContact O-N 3.07Å; Y62-A66 WeakPolarHBondContact O-CB 3.23Å; Y62-A66 PolarHBondContact O-N 2.61Å; Y62-T165 WeakPolarHBondContact CB-OG1 3.46Å; Y62-V183 HydrophobicContact CD2-CG1 4.19Å; Y62-V183 HydrophobicContact CG-CG1 4.39Å
63	A	41	Very low	41	Very low	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-73.3	-50.4	178.6	0	0	0	0	0	110.1	T59 D60 Y61 A65 A66 W67 A163 T165	T59-A63 HydrophobicContact CG2-CB 3.97Å; D60-A63 VanDerWaalsContact O-CB 3.26Å; D60-A63 WeakPolarHBondContact O-CB 3.25Å; D60-A63 PolarHBondContact O-N 2.87Å; D60-A63 PolarHBondContact OD1-N 2.94Å; Y61-A63 PolarHBondContact O-N 3.27Å; A63-A65 PolarHBondContact O-N 3.43Å; A63-A66 PolarHBondContact O-N 2.7Å; A63-W67 WeakPolarHBondContact O-CB 3.47Å; A63-W67 PolarHBondContact O-N 2.92Å; A63-A163 WeakPolarHBondContact CB-O 3.1Å; A63-T165 WeakPolarHBondContact CA-OG1 3.03Å; A63-T165 WeakPolarHBondContact CB-OG1 3.5Å; A63-T165 PolarHBondContact N-OG1 2.57Å
64	A	43.6	Very low	41	Very low	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-52.8	-42.3	172	0	0	0	0	0	111.1	V49 Y50 D60 A68	V49-A64 HydrophobicContact CG1-CB 3.7Å; Y50-A64 HydrophobicContact CD2-CB 4.18Å; Y50-A64 HydrophobicContact CE2-CB 3.49Å; Y50-A64 VanDerWaalsContact CE2-CB 3.49Å; D60-A64 PolarHBondContact O-N 2.96Å; D60-A64 VanDerWaalsContact O-N 3.09Å; A64-A68 WeakPolarHBondContact O-CB 2.89Å; A64-A68 PolarHBondContact O-N 2.9Å
65	A	40.4	Very low	40.8	Very low	13 Å²	13	47.6 Å²	47.6	11%	0.107	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-52.4	175.1	0	0	0	0	0	114.7	I46 Y61 Y62 A63 W67 A68 V69	I46-A65 HydrophobicContact CD1-CB 3.38Å; I46-A65 HydrophobicContact CG1-CB 3.41Å; I46-A65 VanDerWaalsContact CG1-CB 3.41Å; Y61-A65 VanDerWaalsContact O-CB 3.28Å; Y61-A65 WeakPolarHBondContact O-CB 3.22Å; Y61-A65 PolarHBondContact O-N 3.12Å; Y62-A65 PolarHBondContact O-N 3.07Å; A63-A65 PolarHBondContact O-N 3.43Å; A65-W67 PolarHBondContact O-N 3.44Å; A65-A68 PolarHBondContact O-N 2.99Å; A65-A68 VanDerWaalsContact O-N 3.1Å; A65-V69 VanDerWaalsContact O-CG2 3.3Å; A65-V69 WeakPolarHBondContact O-CG2 3.46Å; A65-V69 PolarHBondContact O-N 3.16Å
66	A	42.4	Very low	40.4	Very low	2 Å²	2	48.4 Å²	48.4	2%	0.017	25%	0.246	C	C	.	.	H	α-helix	trans	-53.2	-42.1	176.9	0	0	0	0	0	110.7	Y62 A63 V69 L70 T165 V168 F169	Y62-A66 WeakPolarHBondContact O-CB 3.23Å; Y62-A66 PolarHBondContact O-N 2.61Å; A63-A66 PolarHBondContact O-N 2.7Å; A66-V69 PolarHBondContact O-N 3.47Å; A66-L70 WeakPolarHBondContact O-CB 3.33Å; A66-L70 WeakPolarHBondContact O-CG 3.36Å; A66-L70 PolarHBondContact O-N 3.28Å; A66-T165 HydrophobicContact CB-CG2 4.46Å; A66-V168 HydrophobicContact CB-CB 4.05Å; A66-V168 HydrophobicContact CB-CG1 3.55Å; A66-F169 HydrophobicContact CB-CD1 4.15Å; A66-F169 HydrophobicContact CB-CD2 4.05Å; A66-F169 HydrophobicContact CB-CE1 3.56Å; A66-F169 HydrophobicContact CB-CE2 3.46Å; A66-F169 VanDerWaalsContact CB-CE2 3.46Å; A66-F169 HydrophobicContact CB-CG 4.37Å; A66-F169 HydrophobicContact CB-CZ 3.19Å
67	W	46.4	Very low	40	Very low	15 Å²	15	54.6 Å²	54.6	6%	0.057	27%	0.274	C	S	.	.	H	α-helix	trans	-67.4	-43.9	176.9	-79.7	124.3	0	0	0	113.4	F55 A63 A65 V69 L70 A71 V114 L118 V168	F55-W67 HydrophobicContact CE1-CB 4.42Å; F55-W67 AromaticContact CE1-CD1 3.47Å; F55-W67 VanDerWaalsContact CE1-CD1 3.47Å; F55-W67 HydrophobicContact CE1-CG 4.11Å; F55-W67 HydrophobicContact CZ-CB 3.76Å; F55-W67 AromaticContact CZ-CD1 3.7Å; F55-W67 AromaticContact CZ-CG 3.89Å; F55-W67 HydrophobicContact CZ-CG 3.89Å; A63-W67 WeakPolarHBondContact O-CB 3.47Å; A63-W67 PolarHBondContact O-N 2.92Å; A65-W67 PolarHBondContact O-N 3.44Å; W67-V69 PolarHBondContact O-N 3.27Å; W67-L70 HydrophobicContact CE3-CB 4.32Å; W67-L70 HydrophobicContact CE3-CD1 4.1Å; W67-L70 HydrophobicContact CZ3-CD1 4.03Å; W67-L70 PolarHBondContact O-N 2.97Å; W67-A71 VanDerWaalsContact O-CB 3.3Å; W67-A71 WeakPolarHBondContact O-CB 3.3Å; W67-A71 PolarHBondContact O-N 3.35Å; W67-V114 HydrophobicContact CH2-CB 4.08Å; W67-V114 HydrophobicContact CH2-CG1 3.4Å; W67-V114 VanDerWaalsContact CH2-CG1 3.4Å; W67-V114 HydrophobicContact CH2-CG2 3.5Å; W67-V114 HydrophobicContact CZ2-CG2 4.28Å; W67-V114 HydrophobicContact CZ3-CB 4.5Å; W67-V114 HydrophobicContact CZ3-CG1 3.37Å; W67-V114 HydrophobicContact CZ3-CG2 4.37Å; W67-L118 HydrophobicContact CD2-CD1 3.32Å; W67-L118 HydrophobicContact CD2-CG 4.39Å; W67-L118 HydrophobicContact CE3-CD1 3.69Å; W67-L118 HydrophobicContact CG-CD1 3.8Å; W67-L118 HydrophobicContact CH2-CD1 4.11Å; W67-L118 HydrophobicContact CZ2-CD1 3.69Å; W67-L118 HydrophobicContact CZ2-CG 4Å; W67-L118 HydrophobicContact CZ3-CD1 4.09Å; W67-V168 HydrophobicContact CD2-CB 4.18Å; W67-V168 HydrophobicContact CD2-CG1 3.35Å; W67-V168 HydrophobicContact CD2-CG2 3.94Å; W67-V168 VanDerWaalsContact CE2-CG1 3.43Å; W67-V168 HydrophobicContact CE3-CG1 3.61Å; W67-V168 HydrophobicContact CG-CG1 3.82Å; W67-V168 HydrophobicContact CG-CG2 4.22Å; W67-V168 HydrophobicContact CH2-CB 4.17Å; W67-V168 HydrophobicContact CH2-CG1 3.85Å; W67-V168 HydrophobicContact CH2-CG2 4.28Å; W67-V168 HydrophobicContact CZ2-CB 3.76Å; W67-V168 HydrophobicContact CZ2-CG1 3.72Å; W67-V168 HydrophobicContact CZ2-CG2 3.38Å; W67-V168 HydrophobicContact CZ3-CG1 3.83Å
68	A	46	Very low	39.5	Very low	3 Å²	3	55.2 Å²	55.2	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-63.2	-38.1	178.1	0	0	0	0	0	111.6	A45 I46 V49 A64 A65 H72	A45-A68 HydrophobicContact CB-CB 3.36Å; A45-A68 WeakPolarHBondContact O-CB 3.23Å; I46-A68 HydrophobicContact CG1-CB 4.4Å; V49-A68 HydrophobicContact CB-CB 4.25Å; V49-A68 HydrophobicContact CG2-CB 3.71Å; A64-A68 WeakPolarHBondContact O-CB 2.89Å; A64-A68 PolarHBondContact O-N 2.9Å; A65-A68 PolarHBondContact O-N 2.99Å; A65-A68 VanDerWaalsContact O-N 3.1Å; A68-H72 WeakPolarHBondContact O-CB 3.32Å; A68-H72 PolarHBondContact O-N 3.41Å
69	V	42.5	Very low	39	Very low	57 Å²	57	48.8 Å²	48.8	35%	0.345	26%	0.263	S	S	.	.	H	α-helix	trans	-66.7	-39.6	173.4	176.5	0	0	0	0	111.8	I42 A65 A66 W67 G73	I42-V69 HydrophobicContact CB-CG2 4.08Å; I42-V69 HydrophobicContact CD1-CG2 4.21Å; I42-V69 HydrophobicContact CG1-CG2 3.69Å; I42-V69 HydrophobicContact CG2-CG2 3.6Å; A65-V69 VanDerWaalsContact O-CG2 3.3Å; A65-V69 WeakPolarHBondContact O-CG2 3.46Å; A65-V69 PolarHBondContact O-N 3.16Å; A66-V69 PolarHBondContact O-N 3.47Å; W67-V69 PolarHBondContact O-N 3.27Å; V69-G73 PolarHBondContact O-N 3.17Å
70	L	42.9	Very low	38.2	Very low	23 Å²	23	51.5 Å²	51.5	12%	0.12	29%	0.293	C	S	.	.	H	α-helix	trans	-69.6	-48.4	176.1	-87.6	159.2	0	0	0	113.1	A66 W67 H72 G73 L74 V168 A172	A66-L70 WeakPolarHBondContact O-CB 3.33Å; A66-L70 WeakPolarHBondContact O-CG 3.36Å; A66-L70 PolarHBondContact O-N 3.28Å; W67-L70 HydrophobicContact CE3-CB 4.32Å; W67-L70 HydrophobicContact CE3-CD1 4.1Å; W67-L70 HydrophobicContact CZ3-CD1 4.03Å; W67-L70 PolarHBondContact O-N 2.97Å; L70-H72 PolarHBondContact O-N 3.01Å; L70-G73 PolarHBondContact O-N 3Å; L70-L74 HydrophobicContact CB-CD1 4.24Å; L70-L74 HydrophobicContact CD2-CD1 3.9Å; L70-L74 HydrophobicContact CD2-CG 4.16Å; L70-L74 WeakPolarHBondContact O-CB 3.34Å; L70-L74 WeakPolarHBondContact O-CD1 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.27Å; L70-L74 PolarHBondContact O-N 3.3Å; L70-V168 HydrophobicContact CD1-CB 4.36Å; L70-V168 HydrophobicContact CD1-CG1 3.16Å; L70-A172 HydrophobicContact CD1-CB 3.59Å; L70-A172 HydrophobicContact CD2-CB 3.23Å; L70-A172 HydrophobicContact CG-CB 3.87Å
71	A	43.4	Very low	37.5	Very low	21 Å²	21	55.2 Å²	55.2	17%	0.174	31%	0.312	C	S	.	.	H	α-helix	trans	-53.6	-45.4	174.2	0	0	0	0	0	109.4	W67 V75 F109	W67-A71 VanDerWaalsContact O-CB 3.3Å; W67-A71 WeakPolarHBondContact O-CB 3.3Å; W67-A71 PolarHBondContact O-N 3.35Å; A71-V75 VanDerWaalsContact O-CB 3.29Å; A71-V75 WeakPolarHBondContact O-CB 3.41Å; A71-V75 WeakPolarHBondContact O-CG2 3.48Å; A71-V75 PolarHBondContact O-N 3.46Å; A71-F109 HydrophobicContact CB-CD2 4.25Å; A71-F109 HydrophobicContact CB-CE2 4.04Å
72	H	39.4	Very low	37.2	Very low	83 Å²	83	50.8 Å²	50.8	38%	0.384	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-52	175.6	-171.9	-71.1	0	0	0	112.8	A68 L70 L74 V75 C76	A68-H72 WeakPolarHBondContact O-CB 3.32Å; A68-H72 PolarHBondContact O-N 3.41Å; L70-H72 PolarHBondContact O-N 3.01Å; H72-L74 PolarHBondContact O-N 3.3Å; H72-V75 PolarHBondContact O-N 2.78Å; H72-C76 PolarHBondContact O-N 3.34Å; H72-C76 VanDerWaalsContact O-N 3.13Å; H72-C76 PolarHBondContact O-SG 3.19Å
73	G	36.6	Very low	36.8	Very low	34 Å²	34	46.3 Å²	46.3	35%	0.351	29%	0.285	S	S	.	.	H	α-helix	trans	-64.2	-36.4	-177.1	0	0	0	0	0	113.6	V69 L70 C76 E77	V69-G73 PolarHBondContact O-N 3.17Å; L70-G73 PolarHBondContact O-N 3Å; G73-C76 VanDerWaalsContact O-CB 3.22Å; G73-C76 WeakPolarHBondContact O-CB 3.3Å; G73-C76 PolarHBondContact O-N 3.37Å; G73-E77 PolarHBondContact O-N 3.02Å; G73-E77 VanDerWaalsContact O-N 3.08Å
74	L	38.1	Very low	36.2	Very low	33 Å²	33	47.3 Å²	47.3	17%	0.173	29%	0.293	C	S	.	.	H	α-helix	trans	-80.1	-33.1	179.9	-66.5	168.9	0	0	0	112.4	L70 H72 C76 E77 H78 F112	L70-L74 HydrophobicContact CB-CD1 4.24Å; L70-L74 HydrophobicContact CD2-CD1 3.9Å; L70-L74 HydrophobicContact CD2-CG 4.16Å; L70-L74 WeakPolarHBondContact O-CB 3.34Å; L70-L74 WeakPolarHBondContact O-CD1 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.27Å; L70-L74 PolarHBondContact O-N 3.3Å; H72-L74 PolarHBondContact O-N 3.3Å; L74-C76 PolarHBondContact O-N 3.19Å; L74-E77 PolarHBondContact O-N 3.43Å; L74-E77 VanDerWaalsContact O-N 3.11Å; L74-H78 PolarHBondContact O-N 3.38Å; L74-F112 HydrophobicContact CB-CE1 4.16Å; L74-F112 HydrophobicContact CB-CE2 4.21Å; L74-F112 HydrophobicContact CB-CZ 3.75Å; L74-F112 HydrophobicContact CD1-CD1 4.35Å; L74-F112 HydrophobicContact CD1-CE1 4.28Å; L74-F112 HydrophobicContact CD1-CZ 4.49Å; L74-F112 HydrophobicContact CD2-CE1 4.4Å
75	V	33.9	Very low	35.5	Very low	43 Å²	43	49.3 Å²	49.3	26%	0.261	30%	0.303	S	S	.	.	H	α-helix	trans	-60.3	-35.5	166.6	173.4	0	0	0	0	109.6	A71 H72 G79 P82	A71-V75 VanDerWaalsContact O-CB 3.29Å; A71-V75 WeakPolarHBondContact O-CB 3.41Å; A71-V75 WeakPolarHBondContact O-CG2 3.48Å; A71-V75 PolarHBondContact O-N 3.46Å; H72-V75 PolarHBondContact O-N 2.78Å; V75-G79 CarbonylContact O-C 3.59Å; V75-G79 PolarHBondContact O-N 2.88Å; V75-P82 HydrophobicContact CB-CG 4.25Å; V75-P82 HydrophobicContact CG1-CB 3.85Å; V75-P82 HydrophobicContact CG1-CG 3.7Å
76	C	33.3	Very low	34.9	Very low	49 Å²	49	53.4 Å²	53.4	33%	0.331	32%	0.316	S	S	.	.	H	α-helix	trans	-63.4	-42.6	169.6	-56	0	0	0	0	113.6	H72 G73 L74 P82	H72-C76 PolarHBondContact O-N 3.34Å; H72-C76 VanDerWaalsContact O-N 3.13Å; H72-C76 PolarHBondContact O-SG 3.19Å; G73-C76 VanDerWaalsContact O-CB 3.22Å; G73-C76 WeakPolarHBondContact O-CB 3.3Å; G73-C76 PolarHBondContact O-N 3.37Å; L74-C76 PolarHBondContact O-N 3.19Å; C76-P82 HydrophobicContact CB-CG 4.3Å; C76-P82 WeakPolarHBondContact SG-CD 2.8Å; C76-P82 WeakPolarHBondContact SG-CG 3.39Å
77	E	32.1	Very low	34.2	Very low	143 Å²	143	56.9 Å²	56.9	67%	0.668	33%	0.334	S	S	*	.	H	α-helix	trans	-81.7	-40.6	-168.5	-160.3	172.4	-160.9	0	0	113.9	G73 L74	G73-E77 PolarHBondContact O-N 3.02Å; G73-E77 VanDerWaalsContact O-N 3.08Å; L74-E77 PolarHBondContact O-N 3.43Å; L74-E77 VanDerWaalsContact O-N 3.11Å
78	H	32.5	Very low	33.4	Very low	141 Å²	141	61.9 Å²	61.9	65%	0.653	35%	0.353	S	S	*	.	H	α-helix	trans	-106.3	2.7	-174.3	-75.2	-55.8	0	0	0	115.1	L74 F112	L74-H78 PolarHBondContact O-N 3.38Å; H78-F112 HydrophobicContact CB-CZ 4.34Å; H78-F112 AromaticContact CD2-CE1 3.71Å
79	G	27.8	Very low	32.6	Very low	52 Å²	52	66.2 Å²	66.2	54%	0.536	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.1	43	-175.8	0	0	0	0	0	113	V75 L81	V75-G79 CarbonylContact O-C 3.59Å; V75-G79 PolarHBondContact O-N 2.88Å; G79-L81 PolarHBondContact O-N 3.45Å
80	G	24.8	Very low	31.8	Very low	70 Å²	70	68.2 Å²	68.2	72%	0.722	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.4	74	164.5	0	0	0	0	0	114.3
81	L	25.4	Very low	31	Very low	116 Å²	116	70.8 Å²	70.8	61%	0.607	41%	0.405	S	S	*	.			trans	58	99.6	166.3	-68.2	158.7	0	0	0	116	G79 T83	G79-L81 PolarHBondContact O-N 3.45Å; L81-T83 HydrophobicContact CB-CG2 4.19Å; L81-T83 HydrophobicContact CD2-CG2 3.96Å; L81-T83 PolarHBondContact O-N 3.32Å
82	P	31.6	Very low	30.4	Very low	18 Å²	18	80.5 Å²	80.5	12%	0.117	44%	0.437	C	S	.	.			trans	-79	64.5	149.5	38.8	-33.4	0	0	0	106.3	V75 C76	V75-P82 HydrophobicContact CB-CG 4.25Å; V75-P82 HydrophobicContact CG1-CB 3.85Å; V75-P82 HydrophobicContact CG1-CG 3.7Å; C76-P82 HydrophobicContact CB-CG 4.3Å; C76-P82 WeakPolarHBondContact SG-CD 2.8Å; C76-P82 WeakPolarHBondContact SG-CG 3.39Å
83	T	29.5	Very low	30.1	Very low	56 Å²	56	83.2 Å²	83.2	34%	0.344	45%	0.454	S	S	.	.			trans	-58	152.7	155.1	55.2	0	0	0	0	106	L81 D85 W86	L81-T83 HydrophobicContact CB-CG2 4.19Å; L81-T83 HydrophobicContact CD2-CG2 3.96Å; L81-T83 PolarHBondContact O-N 3.32Å; T83-D85 PolarHBondContact O-N 3.4Å; T83-D85 WeakPolarHBondContact OG1-CB 3.29Å; T83-D85 PolarHBondContact OG1-OD2 3.31Å; T83-W86 PolarHBondContact O-N 3.22Å
84	S	27.2	Very low	29.7	Very low	22 Å²	22	90.3 Å²	90.3	15%	0.154	47%	0.47	C	S	.	.	H	α-helix	trans	-37	-29.4	165.9	42.2	0	0	0	0	112.7	W86 I87 Y88	S84-W86 VanDerWaalsContact C-N 3.29Å; S84-W86 PolarHBondContact O-N 3.24Å; S84-I87 PolarHBondContact O-N 3.44Å; S84-Y88 VanDerWaalsContact O-CA 3.3Å; S84-Y88 WeakPolarHBondContact O-CA 3.3Å; S84-Y88 WeakPolarHBondContact O-CB 3.38Å; S84-Y88 WeakPolarHBondContact O-CD2 3.5Å; S84-Y88 PolarHBondContact O-N 3.34Å
85	D	29.8	Very low	29.5	Very low	42 Å²	42	98.7 Å²	98.7	23%	0.225	51%	0.506	C	S	.	.	I	π-helix	trans	-66.1	-25.6	-176.8	-40.9	-6.1	0	0	0	112.8	R35 T83 D89 K90	R35-D85 IonicContact NE-OD1 2.63Å; R35-D85 IonicContact NH2-OD1 3.1Å; R35-D85 PolarHBondContact NH2-OD1 3.43Å; R35-D85 IonicContact NH2-OD2 2.85Å; R35-D85 PolarHBondContact NH2-OD2 2.95Å; T83-D85 PolarHBondContact O-N 3.4Å; T83-D85 WeakPolarHBondContact OG1-CB 3.29Å; T83-D85 PolarHBondContact OG1-OD2 3.31Å; D85-D89 HydrophobicContact CB-CB 3.82Å; D85-D89 WeakPolarHBondContact CB-OD2 3.44Å; D85-D89 VanDerWaalsContact CG-OD2 3.29Å; D85-D89 CarbonylContact O-C 3.53Å; D85-D89 VanDerWaalsContact O-CA 3.3Å; D85-D89 WeakPolarHBondContact O-CA 3.38Å; D85-D89 VanDerWaalsContact O-CB 3.3Å; D85-D89 WeakPolarHBondContact O-CB 3.29Å; D85-D89 PolarHBondContact O-N 3.28Å; D85-K90 PolarHBondContact O-N 2.88Å
86	W	27.9	Very low	29.4	Very low	98 Å²	98	99.1 Å²	99.1	37%	0.371	51%	0.506	S	S	.	.	I	π-helix	trans	-82.3	-39.5	175.3	-156	63.8	0	0	0	113.4	T83 S84 R104	T83-W86 PolarHBondContact O-N 3.22Å; S84-W86 VanDerWaalsContact C-N 3.29Å; S84-W86 PolarHBondContact O-N 3.24Å; W86-R104 HydrophobicContact CH2-CB 4.46Å
87	I	27.5	Very low	29.5	Very low	76 Å²	76	99.6 Å²	99.6	39%	0.39	51%	0.509	S	S	.	.	I	π-helix	trans	-79.1	-30.5	175.5	-62.6	-179.8	0	0	0	111	S84 M101	S84-I87 PolarHBondContact O-N 3.44Å; I87-M101 HydrophobicContact CB-CE 4.02Å; I87-M101 HydrophobicContact CG1-CE 3.78Å; I87-M101 HydrophobicContact CG2-CE 3.81Å
88	Y	29.9	Very low	29.6	Very low	120 Å²	120	96.3 Å²	96.3	47%	0.471	51%	0.507	S	S	.	.	I	π-helix	trans	-124.4	-28.1	-168.5	-57.8	-81.1	0	0	0	115.8	I33 S84 A91	I33-Y88 HydrophobicContact CD1-CD2 3.72Å; I33-Y88 HydrophobicContact CD1-CE2 3.14Å; I33-Y88 HydrophobicContact CG1-CD2 4.11Å; I33-Y88 HydrophobicContact CG1-CE2 3.6Å; S84-Y88 VanDerWaalsContact O-CA 3.3Å; S84-Y88 WeakPolarHBondContact O-CA 3.3Å; S84-Y88 WeakPolarHBondContact O-CB 3.38Å; S84-Y88 WeakPolarHBondContact O-CD2 3.5Å; S84-Y88 PolarHBondContact O-N 3.34Å; Y88-A91 WeakPolarHBondContact O-CB 3.3Å
89	D	28.1	Very low	29.9	Very low	94 Å²	94	94 Å²	94	50%	0.503	50%	0.503	S	S	.	.	I	π-helix	trans	-90.2	-29.8	-178.7	-73.7	-20.5	0	0	0	114	D85 A91 R92	D85-D89 HydrophobicContact CB-CB 3.82Å; D85-D89 WeakPolarHBondContact CB-OD2 3.44Å; D85-D89 VanDerWaalsContact CG-OD2 3.29Å; D85-D89 CarbonylContact O-C 3.53Å; D85-D89 VanDerWaalsContact O-CA 3.3Å; D85-D89 WeakPolarHBondContact O-CA 3.38Å; D85-D89 VanDerWaalsContact O-CB 3.3Å; D85-D89 WeakPolarHBondContact O-CB 3.29Å; D85-D89 PolarHBondContact O-N 3.28Å; D89-A91 PolarHBondContact O-N 3.19Å; D89-A91 VanDerWaalsContact O-N 3.11Å; D89-R92 PolarHBondContact O-N 3.36Å
90	K	26	Very low	30.4	Very low	99 Å²	99	95.3 Å²	95.3	43%	0.43	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-68	-9.3	172	-82.4	-158.7	174.7	-170.3	0	114.1	D85 R92 D93 W94	D85-K90 PolarHBondContact O-N 2.88Å; K90-R92 PolarHBondContact O-N 3.39Å; K90-R92 VanDerWaalsContact O-N 3.17Å; K90-D93 PolarHBondContact O-N 3.39Å; K90-W94 PolarHBondContact O-N 3.23Å; K90-W94 VanDerWaalsContact O-N 3.16Å
91	A	25.6	Very low	31.1	Very low	77 Å²	77	94.6 Å²	94.6	64%	0.636	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-63.3	-12.3	166.4	0	0	0	0	0	113.2	Y88 D89	Y88-A91 WeakPolarHBondContact O-CB 3.3Å; D89-A91 PolarHBondContact O-N 3.19Å; D89-A91 VanDerWaalsContact O-N 3.11Å
92	R	32.2	Very low	31.7	Very low	224 Å²	224	92 Å²	92	85%	0.845	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-71.6	-37	172.9	-97.7	-174.6	176.6	-173.2	-0.7	113.9	D89 K90	D89-R92 PolarHBondContact O-N 3.36Å; K90-R92 PolarHBondContact O-N 3.39Å; K90-R92 VanDerWaalsContact O-N 3.17Å
93	D	32.1	Very low	32.2	Very low	140 Å²	140	95.1 Å²	95.1	75%	0.749	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.1	-27.7	-171	-67.2	-42.2	0	0	0	115.9	K90	K90-D93 PolarHBondContact O-N 3.39Å
94	W	28.9	Very low	32.7	Very low	183 Å²	183	96.9 Å²	96.9	69%	0.693	47%	0.474	S	S	*	.			trans	-131	105.2	179.3	-58.6	-34.9	0	0	0	110.4	K90 I96	K90-W94 PolarHBondContact O-N 3.23Å; K90-W94 VanDerWaalsContact O-N 3.16Å; W94-I96 PolarHBondContact O-N 3.49Å
95	K	33.3	Very low	33.3	Very low	210 Å²	210	98.4 Å²	98.4	91%	0.913	48%	0.48	S	S	*	.			trans	-59.6	84.4	167	-74.3	178.4	177	176.2	0	108.9	S97	K95-S97 PolarHBondContact O-N 2.81Å
96	I	32	Very low	33.9	Very low	52 Å²	52	97 Å²	97	27%	0.267	47%	0.472	S	S	.	.			trans	-61.1	126.7	157.7	-48.8	175.2	0	0	0	104.4	W94 E100 M101	W94-I96 PolarHBondContact O-N 3.49Å; I96-E100 HydrophobicContact CG2-CB 3.66Å; I96-E100 HydrophobicContact CG2-CG 3.71Å; I96-M101 HydrophobicContact CG2-CB 4.47Å
97	S	34.2	Very low	34.5	Very low	58 Å²	58	99.4 Å²	99.4	41%	0.406	48%	0.481	S	S	.	.			trans	-62.9	150.7	177	70.3	0	0	0	0	109.1	K95 T99 E100 M101	K95-S97 PolarHBondContact O-N 2.81Å; S97-T99 PolarHBondContact O-N 2.65Å; S97-T99 VanDerWaalsContact O-N 3.12Å; S97-E100 PolarHBondContact O-N 2.77Å; S97-E100 PolarHBondContact OG-N 2.88Å; S97-E100 VanDerWaalsContact OG-N 3.07Å; S97-M101 PolarHBondContact O-N 3.17Å
98	A	35.4	Very low	35	Very low	75 Å²	75	97.5 Å²	97.5	62%	0.62	48%	0.477	S	S	*	.	H	α-helix	trans	-51.4	-36.4	173.1	0	0	0	0	0	111.2	M101 D102	A98-M101 PolarHBondContact O-N 2.92Å; A98-D102 WeakPolarHBondContact O-CB 3.25Å; A98-D102 PolarHBondContact O-N 3.33Å
99	T	38.1	Very low	35.4	Very low	93 Å²	93	93.4 Å²	93.4	57%	0.571	46%	0.461	S	S	*	.	H	α-helix	trans	-61.7	-46.7	176	-44	0	0	0	0	113.2	S97 M101 D102 E103	S97-T99 PolarHBondContact O-N 2.65Å; S97-T99 VanDerWaalsContact O-N 3.12Å; T99-M101 VanDerWaalsContact C-N 3.34Å; T99-D102 PolarHBondContact O-N 3.22Å; T99-E103 PolarHBondContact O-N 3.2Å
100	E	39.8	Very low	36	Very low	79 Å²	79	91.8 Å²	91.8	37%	0.369	45%	0.452	S	S	.	.	H	α-helix	trans	-71.2	-33.3	179.6	-177.4	178.7	177.5	0	0	111.5	I96 S97 R104	I96-E100 HydrophobicContact CG2-CB 3.66Å; I96-E100 HydrophobicContact CG2-CG 3.71Å; S97-E100 PolarHBondContact O-N 2.77Å; S97-E100 PolarHBondContact OG-N 2.88Å; S97-E100 VanDerWaalsContact OG-N 3.07Å; E100-R104 VanDerWaalsContact O-CG 3.28Å; E100-R104 WeakPolarHBondContact O-CG 3.41Å; E100-R104 PolarHBondContact O-N 3.14Å; E100-R104 VanDerWaalsContact O-N 3.08Å; E100-R104 IonicContact OE1-CZ 3.72Å; E100-R104 IonicContact OE1-NE 2.7Å; E100-R104 PolarHBondContact OE1-NE 2.85Å; E100-R104 IonicContact OE1-NH2 3.56Å; E100-R104 PolarHBondContact OE1-NH2 3.44Å
101	M	38	Very low	36.7	Very low	54 Å²	54	95.3 Å²	95.3	27%	0.266	47%	0.468	S	S	.	.	H	α-helix	trans	-64.1	-47.4	173	-172.8	159.8	-169.7	0	0	111.7	I87 I96 S97 A98 T99 R104 I105	I87-M101 HydrophobicContact CB-CE 4.02Å; I87-M101 HydrophobicContact CG1-CE 3.78Å; I87-M101 HydrophobicContact CG2-CE 3.81Å; I96-M101 HydrophobicContact CG2-CB 4.47Å; S97-M101 PolarHBondContact O-N 3.17Å; A98-M101 PolarHBondContact O-N 2.92Å; T99-M101 VanDerWaalsContact C-N 3.34Å; M101-R104 PolarHBondContact O-N 2.85Å; M101-I105 HydrophobicContact CG-CD1 4.19Å; M101-I105 WeakPolarHBondContact O-CG1 3.25Å; M101-I105 PolarHBondContact O-N 3.42Å
102	D	39.5	Very low	37.5	Very low	62 Å²	62	93.5 Å²	93.5	33%	0.332	45%	0.445	S	S	.	.	H	α-helix	trans	-57.2	-52.1	174.1	-76.6	-17	0	0	0	110.1	A98 T99 R104 I105 N106	A98-D102 WeakPolarHBondContact O-CB 3.25Å; A98-D102 PolarHBondContact O-N 3.33Å; T99-D102 PolarHBondContact O-N 3.22Å; D102-R104 PolarHBondContact O-N 3.17Å; D102-R104 VanDerWaalsContact O-N 3.16Å; D102-I105 PolarHBondContact O-N 3.14Å; D102-N106 WeakPolarHBondContact O-CB 3.4Å; D102-N106 PolarHBondContact O-N 2.93Å; D102-N106 PolarHBondContact O-ND2 3.04Å; D102-N106 PolarHBondContact O-OD1 3.47Å
103	E	41.2	Very low	38	Very low	83 Å²	83	87.7 Å²	87.7	39%	0.388	44%	0.437	S	S	.	.	H	α-helix	trans	-54.6	-39	178.5	-83.6	-168.8	177	0	0	113.9	T99 N106 R107	T99-E103 PolarHBondContact O-N 3.2Å; E103-N106 PolarHBondContact O-N 3.34Å; E103-R107 WeakPolarHBondContact O-CB 3.41Å; E103-R107 WeakPolarHBondContact O-CG 3.47Å; E103-R107 PolarHBondContact O-N 3.38Å; E103-R107 IonicContact OE2-CZ 3.65Å; E103-R107 IonicContact OE2-NH2 3.01Å; E103-R107 PolarHBondContact OE2-NH2 2.8Å
104	R	39.4	Very low	38.5	Very low	94 Å²	94	82.4 Å²	82.4	36%	0.355	41%	0.409	S	S	.	.	H	α-helix	trans	-70	-45.2	-180	-74.7	174.9	-176.9	-153.3	3.3	111.7	W86 E100 M101 D102 N106 R107 A108	W86-R104 HydrophobicContact CH2-CB 4.46Å; E100-R104 VanDerWaalsContact O-CG 3.28Å; E100-R104 WeakPolarHBondContact O-CG 3.41Å; E100-R104 PolarHBondContact O-N 3.14Å; E100-R104 VanDerWaalsContact O-N 3.08Å; E100-R104 IonicContact OE1-CZ 3.72Å; E100-R104 IonicContact OE1-NE 2.7Å; E100-R104 PolarHBondContact OE1-NE 2.85Å; E100-R104 IonicContact OE1-NH2 3.56Å; E100-R104 PolarHBondContact OE1-NH2 3.44Å; M101-R104 PolarHBondContact O-N 2.85Å; D102-R104 PolarHBondContact O-N 3.17Å; D102-R104 VanDerWaalsContact O-N 3.16Å; R104-N106 PolarHBondContact O-N 3.48Å; R104-R107 PolarHBondContact O-N 2.91Å; R104-A108 WeakPolarHBondContact O-CB 3.37Å; R104-A108 PolarHBondContact O-N 3Å
105	I	40.2	Very low	39.2	Very low	53 Å²	53	73.7 Å²	73.7	27%	0.272	38%	0.377	S	S	.	.	H	α-helix	trans	-57.9	-44.3	174.1	-68.5	170.5	0	0	0	109.1	W48 M101 D102 R107 A108 F109	W48-I105 HydrophobicContact CH2-CG2 4.39Å; M101-I105 HydrophobicContact CG-CD1 4.19Å; M101-I105 WeakPolarHBondContact O-CG1 3.25Å; M101-I105 PolarHBondContact O-N 3.42Å; D102-I105 PolarHBondContact O-N 3.14Å; I105-R107 PolarHBondContact O-N 3.22Å; I105-A108 PolarHBondContact O-N 3.47Å; I105-F109 VanDerWaalsContact O-CB 3.24Å; I105-F109 WeakPolarHBondContact O-CB 3.47Å; I105-F109 PolarHBondContact O-N 2.77Å
106	N	41.8	Very low	39.6	Very low	12 Å²	12	65.9 Å²	65.9	6%	0.064	35%	0.347	C	S	.	.	H	α-helix	trans	-65.3	-45.3	-177.8	-56	-8.8	0	0	0	111.1	D102 E103 R104 F109 L110 S253 L256	D102-N106 WeakPolarHBondContact O-CB 3.4Å; D102-N106 PolarHBondContact O-N 2.93Å; D102-N106 PolarHBondContact O-ND2 3.04Å; D102-N106 PolarHBondContact O-OD1 3.47Å; E103-N106 PolarHBondContact O-N 3.34Å; R104-N106 PolarHBondContact O-N 3.48Å; N106-F109 PolarHBondContact O-N 3.31Å; N106-L110 WeakPolarHBondContact O-CB 3.25Å; N106-L110 WeakPolarHBondContact O-CD1 3.47Å; N106-L110 WeakPolarHBondContact O-CG 3.49Å; N106-L110 PolarHBondContact O-N 3.38Å; N106-S253 VanDerWaalsContact ND2-CA 3.26Å; N106-S253 WeakPolarHBondContact ND2-CA 3.48Å; N106-S253 WeakPolarHBondContact ND2-CB 3.47Å; N106-L256 HydrophobicContact CB-CD1 4.04Å; N106-L256 WeakPolarHBondContact OD1-CD1 3.45Å
107	R	40.4	Very low	40.2	Very low	149 Å²	149	65 Å²	65	56%	0.562	34%	0.342	S	S	*	.	H	α-helix	trans	-63.6	-41.3	176.8	-78.5	-173.8	-114.7	-164.6	-3.5	112.2	E103 R104 I105 K111	E103-R107 WeakPolarHBondContact O-CB 3.41Å; E103-R107 WeakPolarHBondContact O-CG 3.47Å; E103-R107 PolarHBondContact O-N 3.38Å; E103-R107 IonicContact OE2-CZ 3.65Å; E103-R107 IonicContact OE2-NH2 3.01Å; E103-R107 PolarHBondContact OE2-NH2 2.8Å; R104-R107 PolarHBondContact O-N 2.91Å; I105-R107 PolarHBondContact O-N 3.22Å; R107-K111 WeakPolarHBondContact O-CG 3.49Å; R107-K111 PolarHBondContact O-N 3.2Å
108	A	39.1	Very low	40.6	Very low	36 Å²	36	62.8 Å²	62.8	30%	0.298	33%	0.326	S	S	.	.	H	α-helix	trans	-66	-46.3	177.4	0	0	0	0	0	110.9	R104 I105 K111 F112	R104-A108 WeakPolarHBondContact O-CB 3.37Å; R104-A108 PolarHBondContact O-N 3Å; I105-A108 PolarHBondContact O-N 3.47Å; A108-K111 PolarHBondContact O-N 2.86Å; A108-F112 VanDerWaalsContact O-CD2 3.26Å; A108-F112 WeakPolarHBondContact O-CD2 3.32Å; A108-F112 WeakPolarHBondContact O-CE2 3.19Å
109	F	39	Very low	40.9	Very low	35 Å²	35	60 Å²	60	15%	0.154	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-46.1	177.5	-167.6	-107.1	0	0	0	111.4	A71 I105 N106 K111 F112 A115 L118 I119	A71-F109 HydrophobicContact CB-CD2 4.25Å; A71-F109 HydrophobicContact CB-CE2 4.04Å; I105-F109 VanDerWaalsContact O-CB 3.24Å; I105-F109 WeakPolarHBondContact O-CB 3.47Å; I105-F109 PolarHBondContact O-N 2.77Å; N106-F109 PolarHBondContact O-N 3.31Å; F109-K111 PolarHBondContact O-N 3.46Å; F109-F112 VanDerWaalsContact O-CD2 3.28Å; F109-F112 WeakPolarHBondContact O-CD2 3.25Å; F109-F112 PolarHBondContact O-N 2.9Å; F109-F112 VanDerWaalsContact O-N 3.16Å; F109-A115 HydrophobicContact CD1-CB 3.63Å; F109-A115 HydrophobicContact CD2-CB 4.18Å; F109-A115 HydrophobicContact CE1-CB 3.53Å; F109-A115 HydrophobicContact CE2-CB 4.09Å; F109-A115 HydrophobicContact CG-CB 3.96Å; F109-A115 HydrophobicContact CZ-CB 3.76Å; F109-A115 WeakPolarHBondContact O-CB 3.47Å; F109-L118 HydrophobicContact CZ-CD1 4.33Å; F109-I119 HydrophobicContact CD1-CD1 4.02Å; F109-I119 HydrophobicContact CE1-CD1 4.14Å; F109-I119 HydrophobicContact CE1-CG1 4.28Å
110	L	39.9	Very low	41.2	Very low	59 Å²	59	56 Å²	56	31%	0.309	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-22.1	-179.7	-78.6	165.8	0	0	0	114.8	N106 F112 I119	N106-L110 WeakPolarHBondContact O-CB 3.25Å; N106-L110 WeakPolarHBondContact O-CD1 3.47Å; N106-L110 WeakPolarHBondContact O-CG 3.49Å; N106-L110 PolarHBondContact O-N 3.38Å; L110-F112 PolarHBondContact O-N 3.02Å; L110-I119 HydrophobicContact CD2-CD1 3.3Å; L110-I119 HydrophobicContact CG-CD1 4.03Å
111	K	40.8	Very low	41.4	Very low	174 Å²	174	52.6 Å²	52.6	76%	0.757	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.5	176.6	-78.2	177	-179.7	-173	0	113.1	R107 A108 F109	R107-K111 WeakPolarHBondContact O-CG 3.49Å; R107-K111 PolarHBondContact O-N 3.2Å; A108-K111 PolarHBondContact O-N 2.86Å; F109-K111 PolarHBondContact O-N 3.46Å
112	F	41.9	Very low	41.5	Very low	38 Å²	38	50.4 Å²	50.4	17%	0.167	25%	0.251	C	S	.	.	S	Bend	trans	-89	125.5	177.9	-59.4	-71.4	0	0	0	110.4	L74 H78 A108 F109 L110 V114 A115 T116	L74-F112 HydrophobicContact CB-CE1 4.16Å; L74-F112 HydrophobicContact CB-CE2 4.21Å; L74-F112 HydrophobicContact CB-CZ 3.75Å; L74-F112 HydrophobicContact CD1-CD1 4.35Å; L74-F112 HydrophobicContact CD1-CE1 4.28Å; L74-F112 HydrophobicContact CD1-CZ 4.49Å; L74-F112 HydrophobicContact CD2-CE1 4.4Å; H78-F112 HydrophobicContact CB-CZ 4.34Å; H78-F112 AromaticContact CD2-CE1 3.71Å; A108-F112 VanDerWaalsContact O-CD2 3.26Å; A108-F112 WeakPolarHBondContact O-CD2 3.32Å; A108-F112 WeakPolarHBondContact O-CE2 3.19Å; F109-F112 VanDerWaalsContact O-CD2 3.28Å; F109-F112 WeakPolarHBondContact O-CD2 3.25Å; F109-F112 PolarHBondContact O-N 2.9Å; F109-F112 VanDerWaalsContact O-N 3.16Å; L110-F112 PolarHBondContact O-N 3.02Å; F112-V114 PolarHBondContact O-N 3.16Å; F112-V114 VanDerWaalsContact O-N 3.1Å; F112-A115 HydrophobicContact CB-CB 3.88Å; F112-A115 WeakPolarHBondContact O-CB 3.44Å; F112-A115 PolarHBondContact O-N 3.2Å; F112-T116 PolarHBondContact O-N 3.46Å; F112-T116 PolarHBondContact O-OG1 3.42Å
113	P	43.4	Very low	41.6	Very low	103 Å²	103	49.1 Å²	49.1	67%	0.669	24%	0.243	S	C	*	.	H	α-helix	trans	-53	-35.4	175.1	-27.2	34.4	0	0	0	112.1	T116 D117	P113-T116 VanDerWaalsContact O-CB 3.26Å; P113-T116 WeakPolarHBondContact O-CB 3.45Å; P113-T116 PolarHBondContact O-N 3.48Å; P113-D117 PolarHBondContact O-N 3.3Å
114	V	42.4	Very low	41.8	Very low	28 Å²	28	45.3 Å²	45.3	17%	0.17	23%	0.225	C	C	.	.	H	α-helix	trans	-75.1	-33	-179.2	94.3	0	0	0	0	113.8	W67 F112 D117 L118 L171	W67-V114 HydrophobicContact CH2-CB 4.08Å; W67-V114 HydrophobicContact CH2-CG1 3.4Å; W67-V114 VanDerWaalsContact CH2-CG1 3.4Å; W67-V114 HydrophobicContact CH2-CG2 3.5Å; W67-V114 HydrophobicContact CZ2-CG2 4.28Å; W67-V114 HydrophobicContact CZ3-CB 4.5Å; W67-V114 HydrophobicContact CZ3-CG1 3.37Å; W67-V114 HydrophobicContact CZ3-CG2 4.37Å; F112-V114 PolarHBondContact O-N 3.16Å; F112-V114 VanDerWaalsContact O-N 3.1Å; V114-D117 PolarHBondContact O-N 3.05Å; V114-L118 PolarHBondContact O-N 2.96Å; V114-L171 HydrophobicContact CB-CD1 4.43Å; V114-L171 HydrophobicContact CG2-CB 4.28Å; V114-L171 HydrophobicContact CG2-CD1 3.26Å; V114-L171 HydrophobicContact CG2-CG 4.37Å
115	A	42.9	Very low	42	Very low	1 Å²	1	41.4 Å²	41.4	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-67.7	-33.8	171.3	0	0	0	0	0	110.2	F109 F112 L118 I119	F109-A115 HydrophobicContact CD1-CB 3.63Å; F109-A115 HydrophobicContact CD2-CB 4.18Å; F109-A115 HydrophobicContact CE1-CB 3.53Å; F109-A115 HydrophobicContact CE2-CB 4.09Å; F109-A115 HydrophobicContact CG-CB 3.96Å; F109-A115 HydrophobicContact CZ-CB 3.76Å; F109-A115 WeakPolarHBondContact O-CB 3.47Å; F112-A115 HydrophobicContact CB-CB 3.88Å; F112-A115 WeakPolarHBondContact O-CB 3.44Å; F112-A115 PolarHBondContact O-N 3.2Å; A115-L118 PolarHBondContact O-N 3.41Å; A115-I119 VanDerWaalsContact O-CB 3.28Å; A115-I119 WeakPolarHBondContact O-CB 3.35Å; A115-I119 WeakPolarHBondContact O-CD1 3.46Å; A115-I119 WeakPolarHBondContact O-CG1 3.02Å; A115-I119 PolarHBondContact O-N 2.85Å
116	T	43.4	Very low	42	Very low	46 Å²	46	41 Å²	41	28%	0.282	21%	0.211	S	C	.	.	H	α-helix	trans	-62.5	-46.5	169.3	-53.2	0	0	0	0	110.2	F112 P113 L118 I119 V120 L202	F112-T116 PolarHBondContact O-N 3.46Å; F112-T116 PolarHBondContact O-OG1 3.42Å; P113-T116 VanDerWaalsContact O-CB 3.26Å; P113-T116 WeakPolarHBondContact O-CB 3.45Å; P113-T116 PolarHBondContact O-N 3.48Å; T116-L118 VanDerWaalsContact C-N 3.32Å; T116-L118 PolarHBondContact O-N 3.26Å; T116-I119 CarbonylContact O-C 3.59Å; T116-I119 PolarHBondContact O-N 2.94Å; T116-V120 HydrophobicContact CG2-CG2 4.28Å; T116-V120 WeakPolarHBondContact O-CB 3.26Å; T116-V120 WeakPolarHBondContact O-CG2 3.25Å; T116-V120 PolarHBondContact O-N 2.98Å; T116-L202 HydrophobicContact CG2-CD2 4.48Å
117	D	43.2	Very low	42.1	Very low	32 Å²	32	41.8 Å²	41.8	17%	0.171	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-35.7	176.5	-74	-25.7	0	0	0	112.7	P113 V114 V120 A121 R198	P113-D117 PolarHBondContact O-N 3.3Å; V114-D117 PolarHBondContact O-N 3.05Å; D117-V120 CarbonylContact O-C 3.55Å; D117-V120 WeakPolarHBondContact O-CB 3.45Å; D117-V120 PolarHBondContact O-N 3.39Å; D117-A121 WeakPolarHBondContact O-CB 3.4Å; D117-A121 PolarHBondContact O-N 3.28Å; D117-R198 IonicContact OD1-CZ 2.7Å; D117-R198 IonicContact OD1-NE 3.63Å; D117-R198 PolarHBondContact OD1-NE 2.7Å; D117-R198 IonicContact OD1-NH2 3.78Å; D117-R198 PolarHBondContact OD1-NH2 3.42Å; D117-R198 IonicContact OD2-NH2 2.85Å
118	L	43.2	Very low	42.2	Very low	12 Å²	12	37.4 Å²	37.4	6%	0.063	20%	0.197	C	C	.	.	H	α-helix	trans	-69.3	-48.3	173	-103.9	174.7	0	0	0	112.2	F55 W67 F109 V114 A115 T116 V120 A121 S122	F55-L118 HydrophobicContact CD1-CD2 4.28Å; F55-L118 HydrophobicContact CE1-CD1 4.42Å; F55-L118 HydrophobicContact CE1-CD2 3.68Å; F55-L118 HydrophobicContact CZ-CD1 4.48Å; F55-L118 HydrophobicContact CZ-CD2 4.45Å; W67-L118 HydrophobicContact CD2-CD1 3.32Å; W67-L118 HydrophobicContact CD2-CG 4.39Å; W67-L118 HydrophobicContact CE3-CD1 3.69Å; W67-L118 HydrophobicContact CG-CD1 3.8Å; W67-L118 HydrophobicContact CH2-CD1 4.11Å; W67-L118 HydrophobicContact CZ2-CD1 3.69Å; W67-L118 HydrophobicContact CZ2-CG 4Å; W67-L118 HydrophobicContact CZ3-CD1 4.09Å; F109-L118 HydrophobicContact CZ-CD1 4.33Å; V114-L118 PolarHBondContact O-N 2.96Å; A115-L118 PolarHBondContact O-N 3.41Å; T116-L118 VanDerWaalsContact C-N 3.32Å; T116-L118 PolarHBondContact O-N 3.26Å; L118-V120 PolarHBondContact O-N 3.07Å; L118-A121 CarbonylContact O-C 3.42Å; L118-A121 PolarHBondContact O-N 3.36Å; L118-S122 WeakPolarHBondContact O-CB 3.35Å; L118-S122 PolarHBondContact O-N 2.52Å; L118-S122 PolarHBondContact O-OG 2.71Å
119	I	42.2	Very low	42.3	Very low	18 Å²	18	39.1 Å²	39.1	9%	0.092	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-35.1	174.4	-73.1	167.1	0	0	0	108.8	F109 L110 A115 T116 K123	F109-I119 HydrophobicContact CD1-CD1 4.02Å; F109-I119 HydrophobicContact CE1-CD1 4.14Å; F109-I119 HydrophobicContact CE1-CG1 4.28Å; L110-I119 HydrophobicContact CD2-CD1 3.3Å; L110-I119 HydrophobicContact CG-CD1 4.03Å; A115-I119 VanDerWaalsContact O-CB 3.28Å; A115-I119 WeakPolarHBondContact O-CB 3.35Å; A115-I119 WeakPolarHBondContact O-CD1 3.46Å; A115-I119 WeakPolarHBondContact O-CG1 3.02Å; A115-I119 PolarHBondContact O-N 2.85Å; T116-I119 CarbonylContact O-C 3.59Å; T116-I119 PolarHBondContact O-N 2.94Å; I119-K123 HydrophobicContact CG2-CD 3.8Å; I119-K123 VanDerWaalsContact CG2-CE 3.5Å; I119-K123 HydrophobicContact CG2-CG 4.12Å; I119-K123 VanDerWaalsContact O-CA 3.31Å; I119-K123 WeakPolarHBondContact O-CA 3.45Å; I119-K123 WeakPolarHBondContact O-CB 3.46Å; I119-K123 WeakPolarHBondContact O-CG 2.95Å; I119-K123 PolarHBondContact O-N 3.27Å
120	V	43.2	Very low	42.4	Very low	7 Å²	7	38.6 Å²	38.6	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-67.3	-39.5	173.1	162	0	0	0	0	111.4	T116 D117 L118 K123 A124 F201 L202	T116-V120 HydrophobicContact CG2-CG2 4.28Å; T116-V120 WeakPolarHBondContact O-CB 3.26Å; T116-V120 WeakPolarHBondContact O-CG2 3.25Å; T116-V120 PolarHBondContact O-N 2.98Å; D117-V120 CarbonylContact O-C 3.55Å; D117-V120 WeakPolarHBondContact O-CB 3.45Å; D117-V120 PolarHBondContact O-N 3.39Å; L118-V120 PolarHBondContact O-N 3.07Å; V120-K123 CarbonylContact O-C 3.54Å; V120-A124 WeakPolarHBondContact O-CA 3.49Å; V120-A124 WeakPolarHBondContact O-CB 3.47Å; V120-A124 PolarHBondContact O-N 3.13Å; V120-F201 HydrophobicContact CG1-CB 3.57Å; V120-F201 HydrophobicContact CG1-CD2 3.91Å; V120-F201 HydrophobicContact CG1-CG 4.12Å; V120-L202 HydrophobicContact CG2-CD2 3.36Å; V120-L202 HydrophobicContact CG2-CG 3.87Å
121	A	43.4	Very low	42.5	Very low	8 Å²	8	36 Å²	36	7%	0.066	19%	0.188	C	C	.	.	H	α-helix	trans	-73.6	-39.7	177.2	0	0	0	0	0	112.7	D117 L118 A124 S125 V159	D117-A121 WeakPolarHBondContact O-CB 3.4Å; D117-A121 PolarHBondContact O-N 3.28Å; L118-A121 CarbonylContact O-C 3.42Å; L118-A121 PolarHBondContact O-N 3.36Å; A121-A124 VanDerWaalsContact O-CB 3.3Å; A121-A124 WeakPolarHBondContact O-CB 3.44Å; A121-A124 PolarHBondContact O-N 3.14Å; A121-S125 WeakPolarHBondContact O-CB 3.48Å; A121-S125 PolarHBondContact O-N 2.7Å; A121-V159 HydrophobicContact CB-CG1 4.21Å
122	S	41.9	Very low	42.8	Very low	8 Å²	8	30.2 Å²	30.2	6%	0.056	16%	0.162	C	C	.	.	H	α-helix	trans	-72.1	-36.7	172.4	-55.6	0	0	0	0	110.9	L54 L118 A124 L126	L54-S122 WeakPolarHBondContact O-CB 3.35Å; L54-S122 PolarHBondContact O-OG 3.13Å; L118-S122 WeakPolarHBondContact O-CB 3.35Å; L118-S122 PolarHBondContact O-N 2.52Å; L118-S122 PolarHBondContact O-OG 2.71Å; S122-A124 VanDerWaalsContact C-N 3.34Å; S122-L126 WeakPolarHBondContact O-CB 3.19Å; S122-L126 PolarHBondContact O-N 2.84Å
123	K	41.7	Very low	42.8	Very low	36 Å²	36	28.6 Å²	28.6	16%	0.157	16%	0.155	C	C	.	.	H	α-helix	trans	-59.8	-46.8	164.6	-82.5	175.9	-179.3	-177	0	108.8	I119 V120 S125 L126 W127 H252 F255	I119-K123 HydrophobicContact CG2-CD 3.8Å; I119-K123 VanDerWaalsContact CG2-CE 3.5Å; I119-K123 HydrophobicContact CG2-CG 4.12Å; I119-K123 VanDerWaalsContact O-CA 3.31Å; I119-K123 WeakPolarHBondContact O-CA 3.45Å; I119-K123 WeakPolarHBondContact O-CB 3.46Å; I119-K123 WeakPolarHBondContact O-CG 2.95Å; I119-K123 PolarHBondContact O-N 3.27Å; V120-K123 CarbonylContact O-C 3.54Å; K123-S125 PolarHBondContact O-N 2.85Å; K123-L126 CarbonylContact O-C 3.15Å; K123-L126 PolarHBondContact O-N 2.84Å; K123-W127 VanDerWaalsContact C-CD1 3.46Å; K123-W127 WeakPolarHBondContact O-CA 3.35Å; K123-W127 WeakPolarHBondContact O-CB 3.43Å; K123-W127 VanDerWaalsContact O-CG 3.27Å; K123-W127 PolarHBondContact O-N 3.08Å; K123-H252 PolarHBondContact NZ-NE2 3.28Å; K123-F255 HydrophobicContact CG-CE2 4.43Å; K123-F255 HydrophobicContact CG-CZ 4.28Å
124	A	44.1	Very low	43	Very low	2 Å²	2	24.4 Å²	24.4	2%	0.017	13%	0.127	C	C	.	.	H	α-helix	trans	-58.7	-52.2	-178.7	0	0	0	0	0	111.1	V120 A121 S122 W127 Y128 F201	V120-A124 WeakPolarHBondContact O-CA 3.49Å; V120-A124 WeakPolarHBondContact O-CB 3.47Å; V120-A124 PolarHBondContact O-N 3.13Å; A121-A124 VanDerWaalsContact O-CB 3.3Å; A121-A124 WeakPolarHBondContact O-CB 3.44Å; A121-A124 PolarHBondContact O-N 3.14Å; S122-A124 VanDerWaalsContact C-N 3.34Å; A124-W127 PolarHBondContact O-N 3.44Å; A124-Y128 WeakPolarHBondContact O-CB 3.48Å; A124-Y128 PolarHBondContact O-N 3.05Å; A124-F201 HydrophobicContact CB-CB 4.48Å; A124-F201 HydrophobicContact CB-CD1 3.17Å; A124-F201 HydrophobicContact CB-CD2 3.87Å; A124-F201 HydrophobicContact CB-CE1 3.07Å; A124-F201 HydrophobicContact CB-CE2 3.77Å; A124-F201 HydrophobicContact CB-CG 3.58Å; A124-F201 HydrophobicContact CB-CZ 3.38Å
125	S	43	Very low	43	Very low	13 Å²	13	29 Å²	29	9%	0.091	14%	0.141	C	C	.	.	H	α-helix	trans	-57	-56.8	173.5	-179.1	0	0	0	0	109.5	P56 A121 K123 W127 Y128 F129	P56-S125 WeakPolarHBondContact CB-OG 3.48Å; A121-S125 WeakPolarHBondContact O-CB 3.48Å; A121-S125 PolarHBondContact O-N 2.7Å; K123-S125 PolarHBondContact O-N 2.85Å; S125-W127 VanDerWaalsContact C-N 3.31Å; S125-W127 PolarHBondContact O-N 2.95Å; S125-Y128 CarbonylContact O-C 3.53Å; S125-Y128 WeakPolarHBondContact O-CA 3.44Å; S125-Y128 PolarHBondContact O-N 2.96Å; S125-F129 VanDerWaalsContact O-CB 3.25Å; S125-F129 WeakPolarHBondContact O-CB 3.44Å; S125-F129 WeakPolarHBondContact O-CD2 3.46Å; S125-F129 PolarHBondContact O-N 3.26Å; S125-F129 WeakPolarHBondContact OG-CD2 3.29Å
126	L	41.2	Very low	43	Very low	44 Å²	44	31.2 Å²	31.2	23%	0.23	15%	0.153	C	C	.	.	H	α-helix	trans	-65.5	-31.5	-178	-162.3	134.2	0	0	0	113	S122 K123 Y128 G130 C131 F255	S122-L126 WeakPolarHBondContact O-CB 3.19Å; S122-L126 PolarHBondContact O-N 2.84Å; K123-L126 CarbonylContact O-C 3.15Å; K123-L126 PolarHBondContact O-N 2.84Å; L126-Y128 VanDerWaalsContact C-N 3.3Å; L126-G130 CarbonylContact O-C 3.58Å; L126-G130 VanDerWaalsContact O-C 3.23Å; L126-G130 WeakPolarHBondContact O-CA 3.46Å; L126-G130 PolarHBondContact O-N 3.11Å; L126-C131 PolarHBondContact O-N 3.45Å; L126-F255 HydrophobicContact CB-CE2 4.13Å; L126-F255 HydrophobicContact CB-CZ 3.67Å; L126-F255 HydrophobicContact CD1-CE2 4.03Å; L126-F255 HydrophobicContact CD1-CZ 3.91Å; L126-F255 HydrophobicContact CD2-CE2 3.84Å; L126-F255 HydrophobicContact CD2-CZ 4.26Å; L126-F255 HydrophobicContact CG-CE2 4.2Å; L126-F255 HydrophobicContact CG-CZ 4.14Å
127	W	43.9	Very low	42.6	Very low	28 Å²	28	30.2 Å²	30.2	11%	0.106	15%	0.152	C	C	.	.	H	α-helix	trans	-65.3	-39.8	173.3	-81.3	113.2	0	0	0	110.3	K123 A124 S125 C131 N134 P204 G247	K123-W127 VanDerWaalsContact C-CD1 3.46Å; K123-W127 WeakPolarHBondContact O-CA 3.35Å; K123-W127 WeakPolarHBondContact O-CB 3.43Å; K123-W127 VanDerWaalsContact O-CG 3.27Å; K123-W127 PolarHBondContact O-N 3.08Å; A124-W127 PolarHBondContact O-N 3.44Å; S125-W127 VanDerWaalsContact C-N 3.31Å; S125-W127 PolarHBondContact O-N 2.95Å; W127-C131 HydrophobicContact CB-CB 4.42Å; W127-C131 HydrophobicContact CD2-CB 4.04Å; W127-C131 HydrophobicContact CE3-CB 3.55Å; W127-C131 HydrophobicContact CG-CB 4.47Å; W127-C131 HydrophobicContact CZ3-CB 4.13Å; W127-C131 WeakPolarHBondContact CZ3-SG 3.46Å; W127-C131 WeakPolarHBondContact O-CB 3.44Å; W127-N134 HydrophobicContact CE3-CB 4.1Å; W127-N134 HydrophobicContact CZ3-CB 4.37Å; W127-P204 HydrophobicContact CE3-CB 4.49Å; W127-P204 HydrophobicContact CH2-CB 3.38Å; W127-P204 HydrophobicContact CH2-CG 4.29Å; W127-P204 HydrophobicContact CZ2-CB 3.8Å; W127-P204 HydrophobicContact CZ3-CB 3.71Å; W127-G247 WeakPolarHBondContact CH2-O 3.45Å
128	Y	42.8	Very low	42.1	Very low	57 Å²	57	32.5 Å²	32.5	22%	0.224	17%	0.169	C	C	.	.	H	α-helix	trans	-78.4	-39.1	-179.8	-159.4	-104	0	0	0	113.2	A124 S125 L126 N141 N150 I152 I155	A124-Y128 WeakPolarHBondContact O-CB 3.48Å; A124-Y128 PolarHBondContact O-N 3.05Å; S125-Y128 CarbonylContact O-C 3.53Å; S125-Y128 WeakPolarHBondContact O-CA 3.44Å; S125-Y128 PolarHBondContact O-N 2.96Å; L126-Y128 VanDerWaalsContact C-N 3.3Å; Y128-N141 WeakPolarHBondContact CE2-ND2 3.11Å; Y128-N141 PolarHBondContact OH-ND2 2.94Å; Y128-N150 PolarHBondContact OH-OD1 3.42Å; Y128-I152 HydrophobicContact CE1-CG1 4.06Å; Y128-I155 HydrophobicContact CD1-CD1 4.47Å; Y128-I155 HydrophobicContact CD1-CG2 4.11Å; Y128-I155 HydrophobicContact CE1-CB 4.27Å; Y128-I155 HydrophobicContact CE1-CD1 3.62Å; Y128-I155 HydrophobicContact CE1-CG2 4.23Å; Y128-I155 HydrophobicContact CE2-CD1 3.85Å; Y128-I155 HydrophobicContact CG-CG2 4.44Å; Y128-I155 WeakPolarHBondContact OH-CD1 3.46Å
129	F	41.6	Very low	41.5	Very low	73 Å²	73	40 Å²	40	32%	0.32	21%	0.208	S	C	.	.	H	α-helix	trans	-96.6	-41.9	-174.4	-73.2	-79.3	0	0	0	113.4	S125 I152 S156	S125-F129 VanDerWaalsContact O-CB 3.25Å; S125-F129 WeakPolarHBondContact O-CB 3.44Å; S125-F129 WeakPolarHBondContact O-CD2 3.46Å; S125-F129 PolarHBondContact O-N 3.26Å; S125-F129 WeakPolarHBondContact OG-CD2 3.29Å; F129-I152 HydrophobicContact CD1-CG2 4.17Å; F129-I152 HydrophobicContact CE1-CG2 3.13Å; F129-I152 HydrophobicContact CZ-CG2 3.48Å; F129-I152 VanDerWaalsContact CZ-CG2 3.48Å; F129-S156 VanDerWaalsContact CE2-OG 3.28Å; F129-S156 WeakPolarHBondContact CE2-OG 3.17Å; F129-S156 WeakPolarHBondContact CZ-OG 3.17Å
130	G	40.3	Very low	41.4	Very low	23 Å²	23	43.1 Å²	43.1	24%	0.237	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-25.9	-167.5	0	0	0	0	0	115.9	L126 R132	L126-G130 CarbonylContact O-C 3.58Å; L126-G130 VanDerWaalsContact O-C 3.23Å; L126-G130 WeakPolarHBondContact O-CA 3.46Å; L126-G130 PolarHBondContact O-N 3.11Å; G130-R132 VanDerWaalsContact C-N 3.3Å; G130-R132 PolarHBondContact O-N 2.86Å
131	C	42.9	Very low	41.5	Very low	4 Å²	4	43.1 Å²	43.1	3%	0.027	23%	0.228	C	C	.	.			trans	-85.9	77.7	-179.5	-166.8	0	0	0	0	108.7	L126 W127 L133 N134 Y249	L126-C131 PolarHBondContact O-N 3.45Å; W127-C131 HydrophobicContact CB-CB 4.42Å; W127-C131 HydrophobicContact CD2-CB 4.04Å; W127-C131 HydrophobicContact CE3-CB 3.55Å; W127-C131 HydrophobicContact CG-CB 4.47Å; W127-C131 HydrophobicContact CZ3-CB 4.13Å; W127-C131 WeakPolarHBondContact CZ3-SG 3.46Å; W127-C131 WeakPolarHBondContact O-CB 3.44Å; C131-L133 PolarHBondContact O-N 3.01Å; C131-N134 HydrophobicContact CB-CB 4.41Å; C131-N134 WeakPolarHBondContact O-CA 3.37Å; C131-N134 WeakPolarHBondContact O-CB 3.28Å; C131-N134 PolarHBondContact O-N 3.43Å; C131-Y249 HydrophobicContact CB-CD2 4.18Å; C131-Y249 HydrophobicContact CB-CE2 4.22Å; C131-Y249 WeakPolarHBondContact SG-CD2 3.46Å; C131-Y249 WeakPolarHBondContact SG-CE2 3.31Å
132	R	45.7	Very low	41.5	Very low	53 Å²	53	44.4 Å²	44.4	20%	0.2	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-71.9	-17.6	-170.3	-66	178.9	177.1	-172.9	5.6	113.7	G130 N134 I210 E267	G130-R132 VanDerWaalsContact C-N 3.3Å; G130-R132 PolarHBondContact O-N 2.86Å; R132-N134 PolarHBondContact O-N 2.86Å; R132-I210 WeakPolarHBondContact O-CD1 3.12Å; R132-E267 HydrophobicContact CB-CB 4.31Å; R132-E267 WeakPolarHBondContact CD-OE2 3.36Å; R132-E267 IonicContact CZ-OE2 2.75Å; R132-E267 IonicContact NE-OE2 2.79Å; R132-E267 PolarHBondContact NE-OE2 2.88Å; R132-E267 IonicContact NH1-OE2 2.7Å; R132-E267 PolarHBondContact NH1-OE2 3.48Å; R132-E267 IonicContact NH2-OE2 3.42Å
133	L	42.8	Very low	41.8	Very low	4 Å²	4	44.1 Å²	44.1	2%	0.021	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-54.4	-34.1	162.3	-77.1	167.8	0	0	0	110.5	C131 R135 S208 I210 I211 F242 Y249 L266	C131-L133 PolarHBondContact O-N 3.01Å; L133-R135 PolarHBondContact O-N 3.34Å; L133-S208 WeakPolarHBondContact O-CB 3.1Å; L133-S208 PolarHBondContact O-OG 2.88Å; L133-I210 HydrophobicContact CD2-CB 3.69Å; L133-I210 HydrophobicContact CD2-CD1 4.21Å; L133-I210 HydrophobicContact CD2-CG1 4.33Å; L133-I210 HydrophobicContact CD2-CG2 3.75Å; L133-I211 HydrophobicContact CD2-CD1 4.29Å; L133-I211 HydrophobicContact CD2-CG1 4.49Å; L133-F242 HydrophobicContact CD1-CB 4.43Å; L133-F242 HydrophobicContact CD1-CD1 4.09Å; L133-F242 HydrophobicContact CD1-CD2 3.74Å; L133-F242 HydrophobicContact CD1-CE1 4.24Å; L133-F242 HydrophobicContact CD1-CE2 3.89Å; L133-F242 HydrophobicContact CD1-CG 3.83Å; L133-F242 HydrophobicContact CD1-CZ 4.15Å; L133-Y249 HydrophobicContact CB-CE2 4.18Å; L133-Y249 HydrophobicContact CD1-CE2 3.89Å; L133-Y249 WeakPolarHBondContact CD1-OH 3.5Å; L133-Y249 HydrophobicContact CG-CE2 4.23Å; L133-Y249 WeakPolarHBondContact CG-OH 3.2Å; L133-Y249 PolarHBondContact N-OH 3.28Å; L133-L266 HydrophobicContact CD1-CD1 4.08Å; L133-L266 HydrophobicContact CD2-CD1 3.97Å; L133-L266 HydrophobicContact CD2-CD2 4.35Å; L133-L266 HydrophobicContact CG-CD1 3.94Å
134	N	46.6	Very low	42.1	Very low	15 Å²	15	46 Å²	46	8%	0.08	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-99.1	29.8	-168.2	-163	33.6	0	0	0	115.4	W127 C131 R132 D136 P205	W127-N134 HydrophobicContact CE3-CB 4.1Å; W127-N134 HydrophobicContact CZ3-CB 4.37Å; C131-N134 HydrophobicContact CB-CB 4.41Å; C131-N134 WeakPolarHBondContact O-CA 3.37Å; C131-N134 WeakPolarHBondContact O-CB 3.28Å; C131-N134 PolarHBondContact O-N 3.43Å; R132-N134 PolarHBondContact O-N 2.86Å; N134-D136 PolarHBondContact O-N 2.89Å; N134-P205 WeakPolarHBondContact ND2-CD 3.5Å; N134-P205 VanDerWaalsContact ND2-CG 3.26Å; N134-P205 WeakPolarHBondContact ND2-CG 3.41Å; N134-P205 VanDerWaalsContact OD1-CB 3.3Å; N134-P205 WeakPolarHBondContact OD1-CB 3.14Å; N134-P205 VanDerWaalsContact OD1-CG 3.24Å; N134-P205 WeakPolarHBondContact OD1-CG 3.15Å
135	R	42.6	Very low	42.4	Very low	124 Å²	124	50.7 Å²	50.7	47%	0.468	28%	0.28	S	S	.	.			trans	-75.4	61.3	164.6	-76	-164.2	-176.2	152.6	12.3	110.2	L133 G137 E267	L133-R135 PolarHBondContact O-N 3.34Å; R135-G137 VanDerWaalsContact C-N 3.28Å; R135-G137 PolarHBondContact O-N 3.27Å; R135-E267 IonicContact CZ-OE1 2.91Å; R135-E267 IonicContact NH1-OE1 3.42Å; R135-E267 PolarHBondContact NH1-OE1 3.41Å; R135-E267 IonicContact NH2-OE1 3.83Å; R135-E267 PolarHBondContact NH2-OE1 3.3Å; R135-E267 IonicContact NH2-OE2 3.37Å
136	D	43.2	Very low	42.7	Very low	48 Å²	48	52.5 Å²	52.5	26%	0.257	29%	0.288	S	S	.	.			trans	-51.4	109.8	143.8	-83.6	4.9	0	0	0	104.9	N134 T140 H209	N134-D136 PolarHBondContact O-N 2.89Å; D136-T140 WeakPolarHBondContact CB-OG1 3.35Å; D136-H209 IonicContact OD1-CD2 2.65Å; D136-H209 PolarHBondContact OD1-CD2 2.68Å; D136-H209 IonicContact OD1-CG 2.77Å; D136-H209 IonicContact OD1-NE2 3.87Å; D136-H209 PolarHBondContact OD1-NE2 2.69Å
137	G	34.4	Very low	43.1	Very low	26 Å²	26	53.4 Å²	53.4	27%	0.268	31%	0.308	S	S	.	.			trans	-53.8	158.6	-170.5	0	0	0	0	0	109.5	R135 L139 T140	R135-G137 VanDerWaalsContact C-N 3.28Å; R135-G137 PolarHBondContact O-N 3.27Å; G137-L139 PolarHBondContact O-N 3.13Å; G137-T140 PolarHBondContact O-N 3.18Å; G137-T140 PolarHBondContact O-OG1 2.82Å
138	P	32.8	Very low	43.4	Very low	80 Å²	80	53.8 Å²	53.8	52%	0.519	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-41	-33.1	177.8	12	-28.5	0	0	0	113.8	T140 N141 N150	P138-T140 VanDerWaalsContact C-N 3.35Å; P138-T140 PolarHBondContact O-N 3.13Å; P138-N141 WeakPolarHBondContact O-CB 3.27Å; P138-N141 PolarHBondContact O-N 3.38Å; P138-N150 WeakPolarHBondContact CA-ND2 3.47Å; P138-N150 HydrophobicContact CB-CB 3.78Å; P138-N150 WeakPolarHBondContact CB-ND2 2.94Å; P138-N150 WeakPolarHBondContact CB-OD1 3.42Å; P138-N150 PolarHBondContact O-ND2 3.33Å
139	L	31.8	Very low	43.6	Very low	170 Å²	170	55.2 Å²	55.2	89%	0.89	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-62.9	-25.4	179.4	-68.2	164	0	0	0	116.7	G137	G137-L139 PolarHBondContact O-N 3.13Å
140	T	39.4	Very low	43.9	Very low	83 Å²	83	54 Å²	54	51%	0.509	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-103.2	5.3	176.8	40.8	0	0	0	0	113.2	D136 G137 P138 P142	D136-T140 WeakPolarHBondContact CB-OG1 3.35Å; G137-T140 PolarHBondContact O-N 3.18Å; G137-T140 PolarHBondContact O-OG1 2.82Å; P138-T140 VanDerWaalsContact C-N 3.35Å; P138-T140 PolarHBondContact O-N 3.13Å; T140-P142 WeakPolarHBondContact O-CD 3.43Å
141	N	45.1	Very low	44.1	Very low	7 Å²	7	57.1 Å²	57.1	4%	0.037	34%	0.336	C	S	.	.			trans	-68.6	120.4	-178.3	-172.6	-9	0	0	0	110.8	Y128 P138 F143 V144 N150	Y128-N141 WeakPolarHBondContact CE2-ND2 3.11Å; Y128-N141 PolarHBondContact OH-ND2 2.94Å; P138-N141 WeakPolarHBondContact O-CB 3.27Å; P138-N141 PolarHBondContact O-N 3.38Å; N141-F143 WeakPolarHBondContact ND2-CD2 3.35Å; N141-F143 PolarHBondContact O-N 3.43Å; N141-F143 WeakPolarHBondContact OD1-CB 3.26Å; N141-F143 WeakPolarHBondContact OD1-CD2 3.36Å; N141-F143 WeakPolarHBondContact OD1-CG 3.16Å; N141-F143 PolarHBondContact OD1-N 2.84Å; N141-V144 HydrophobicContact CB-CG2 4.35Å; N141-V144 WeakPolarHBondContact O-CB 3.22Å; N141-V144 PolarHBondContact O-N 3.39Å; N141-N150 PolarHBondContact ND2-OD1 2.88Å
142	P	44.5	Very low	44.1	Very low	35 Å²	35	61.2 Å²	61.2	23%	0.227	36%	0.357	C	S	.	.	H	α-helix	trans	-59.6	-16.6	177.1	22	-31.4	0	0	0	113.3	T140 V144 S145 L146 L197 Y200	T140-P142 WeakPolarHBondContact O-CD 3.43Å; P142-V144 VanDerWaalsContact C-N 3.25Å; P142-V144 PolarHBondContact O-N 3.21Å; P142-S145 PolarHBondContact O-N 2.8Å; P142-S145 PolarHBondContact O-OG 3.21Å; P142-L146 PolarHBondContact O-N 2.87Å; P142-L197 HydrophobicContact CB-CD2 4.47Å; P142-Y200 HydrophobicContact CG-CD1 4.13Å; P142-Y200 HydrophobicContact CG-CD2 3.55Å; P142-Y200 HydrophobicContact CG-CE1 4.21Å; P142-Y200 HydrophobicContact CG-CE2 3.61Å; P142-Y200 HydrophobicContact CG-CG 3.81Å
143	F	47.5	Very low	44	Very low	1 Å²	1	62.5 Å²	62.5	0%	0.004	37%	0.373	C	S	.	.	H	α-helix	trans	-61.4	-32	170.5	-70	-59.7	0	0	0	113.3	N141 S145 L146 G147 I148 I155 L197 F201	N141-F143 WeakPolarHBondContact ND2-CD2 3.35Å; N141-F143 PolarHBondContact O-N 3.43Å; N141-F143 WeakPolarHBondContact OD1-CB 3.26Å; N141-F143 WeakPolarHBondContact OD1-CD2 3.36Å; N141-F143 WeakPolarHBondContact OD1-CG 3.16Å; N141-F143 PolarHBondContact OD1-N 2.84Å; F143-S145 VanDerWaalsContact C-N 3.35Å; F143-L146 CarbonylContact O-C 3.58Å; F143-L146 WeakPolarHBondContact O-CA 3.27Å; F143-L146 WeakPolarHBondContact O-CB 3.39Å; F143-L146 PolarHBondContact O-N 3.31Å; F143-L146 VanDerWaalsContact O-N 3.08Å; F143-G147 PolarHBondContact O-N 2.91Å; F143-I148 HydrophobicContact CB-CB 4.14Å; F143-I148 HydrophobicContact CB-CG2 4.44Å; F143-I148 HydrophobicContact CD1-CD1 3.88Å; F143-I148 HydrophobicContact CE1-CD1 4.39Å; F143-I148 PolarHBondContact O-N 3.43Å; F143-I155 HydrophobicContact CB-CD1 4.48Å; F143-I155 HydrophobicContact CD2-CD1 3.65Å; F143-I155 HydrophobicContact CD2-CG1 4.1Å; F143-I155 HydrophobicContact CD2-CG2 4.49Å; F143-I155 HydrophobicContact CE2-CD1 4.05Å; F143-I155 HydrophobicContact CE2-CG1 4.25Å; F143-I155 HydrophobicContact CE2-CG2 3.83Å; F143-I155 HydrophobicContact CG-CD1 4.22Å; F143-I155 HydrophobicContact CG-CG1 4.41Å; F143-I155 HydrophobicContact CZ-CG2 3.94Å; F143-L197 HydrophobicContact CD1-CD1 3.95Å; F143-L197 HydrophobicContact CD1-CD2 4.22Å; F143-L197 HydrophobicContact CE1-CD1 3.49Å; F143-L197 VanDerWaalsContact CE1-CD1 3.49Å; F143-L197 HydrophobicContact CE1-CD2 4.19Å; F143-L197 HydrophobicContact CZ-CD1 4.45Å; F143-F201 HydrophobicContact CE1-CZ 4.39Å; F143-F201 HydrophobicContact CE2-CZ 4.18Å; F143-F201 HydrophobicContact CZ-CE1 4.36Å; F143-F201 AromaticContact CZ-CZ 3.59Å; F143-F201 HydrophobicContact CZ-CZ 3.59Å
144	V	48.4	Very low	44.1	Very low	75 Å²	75	63.6 Å²	63.6	46%	0.455	38%	0.382	S	S	.	.	H	α-helix	trans	-65.2	-40.6	176.4	178.7	0	0	0	0	110.7	N141 P142 L146 G147 N150	N141-V144 HydrophobicContact CB-CG2 4.35Å; N141-V144 WeakPolarHBondContact O-CB 3.22Å; N141-V144 PolarHBondContact O-N 3.39Å; P142-V144 VanDerWaalsContact C-N 3.25Å; P142-V144 PolarHBondContact O-N 3.21Å; V144-L146 PolarHBondContact O-N 2.99Å; V144-G147 PolarHBondContact O-N 3.43Å; V144-N150 WeakPolarHBondContact CG2-ND2 3.39Å
145	S	49.6	Very low	44.1	Very low	102 Å²	102	63 Å²	63	71%	0.713	38%	0.378	S	S	*	.	H	α-helix	trans	-64.8	-21.7	174.4	44.1	0	0	0	0	113.2	P142 F143 G147	P142-S145 PolarHBondContact O-N 2.8Å; P142-S145 PolarHBondContact O-OG 3.21Å; F143-S145 VanDerWaalsContact C-N 3.35Å; S145-G147 VanDerWaalsContact C-N 3.32Å
146	L	50.1	Low	44.1	Very low	50 Å²	50	57.2 Å²	57.2	26%	0.262	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	4.7	174.1	-61.9	176.6	0	0	0	113.2	P142 F143 V144 I148 I194 E196 L197	P142-L146 PolarHBondContact O-N 2.87Å; F143-L146 CarbonylContact O-C 3.58Å; F143-L146 WeakPolarHBondContact O-CA 3.27Å; F143-L146 WeakPolarHBondContact O-CB 3.39Å; F143-L146 PolarHBondContact O-N 3.31Å; F143-L146 VanDerWaalsContact O-N 3.08Å; V144-L146 PolarHBondContact O-N 2.99Å; L146-I148 HydrophobicContact CB-CD1 4.45Å; L146-I148 HydrophobicContact CB-CG1 4.48Å; L146-I148 PolarHBondContact O-N 3.49Å; L146-I194 HydrophobicContact CD1-CD1 4.2Å; L146-I194 HydrophobicContact CD2-CD1 3.66Å; L146-I194 HydrophobicContact CG-CD1 4.47Å; L146-E196 WeakPolarHBondContact CD2-OE2 3.34Å; L146-L197 HydrophobicContact CD1-CD1 3.57Å; L146-L197 HydrophobicContact CD1-CD2 3.56Å; L146-L197 HydrophobicContact CD1-CG 3.51Å
147	G	49.1	Very low	44.3	Very low	63 Å²	63	63 Å²	63	65%	0.649	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	11	-178.1	0	0	0	0	0	114.3	F143 V144 S145 P149	F143-G147 PolarHBondContact O-N 2.91Å; V144-G147 PolarHBondContact O-N 3.43Å; S145-G147 VanDerWaalsContact C-N 3.32Å; G147-P149 WeakPolarHBondContact O-CD 3.31Å
148	I	49.7	Very low	44.9	Very low	37 Å²	37	63 Å²	63	19%	0.19	37%	0.371	C	S	.	.			trans	-81.7	118.8	175.3	-63.6	171.5	0	0	0	107.2	F143 L146 I155	F143-I148 HydrophobicContact CB-CB 4.14Å; F143-I148 HydrophobicContact CB-CG2 4.44Å; F143-I148 HydrophobicContact CD1-CD1 3.88Å; F143-I148 HydrophobicContact CE1-CD1 4.39Å; F143-I148 PolarHBondContact O-N 3.43Å; L146-I148 HydrophobicContact CB-CD1 4.45Å; L146-I148 HydrophobicContact CB-CG1 4.48Å; L146-I148 PolarHBondContact O-N 3.49Å; I148-I155 HydrophobicContact CG2-CG1 4.16Å
149	P	47.3	Very low	45.5	Very low	86 Å²	86	59.3 Å²	59.3	56%	0.558	35%	0.346	S	S	*	.			trans	-59.5	145.2	177.8	22.7	-29.9	0	0	0	109.5	G147 D151	G147-P149 WeakPolarHBondContact O-CD 3.31Å; P149-D151 PolarHBondContact O-N 3.36Å
150	N	47.9	Very low	46.1	Very low	47 Å²	47	51.6 Å²	51.6	25%	0.251	31%	0.308	S	S	.	.	S	Bend	trans	-72.7	33.6	-178.2	-123.5	-47.7	0	0	0	114.1	Y128 P138 N141 V144	Y128-N150 PolarHBondContact OH-OD1 3.42Å; P138-N150 WeakPolarHBondContact CA-ND2 3.47Å; P138-N150 HydrophobicContact CB-CB 3.78Å; P138-N150 WeakPolarHBondContact CB-ND2 2.94Å; P138-N150 WeakPolarHBondContact CB-OD1 3.42Å; P138-N150 PolarHBondContact O-ND2 3.33Å; N141-N150 PolarHBondContact ND2-OD1 2.88Å; V144-N150 WeakPolarHBondContact CG2-ND2 3.39Å
151	D	45.3	Very low	46.5	Very low	89 Å²	89	50.5 Å²	50.5	48%	0.476	30%	0.297	S	S	.	.			trans	-88.2	116.6	178.9	-169	13	0	0	0	108	P149 P153 A154 I155	P149-D151 PolarHBondContact O-N 3.36Å; D151-P153 VanDerWaalsContact C-N 3.32Å; D151-P153 WeakPolarHBondContact OD1-CD 2.77Å; D151-P153 WeakPolarHBondContact OD1-CG 2.96Å; D151-A154 HydrophobicContact CB-CB 3.93Å; D151-A154 WeakPolarHBondContact O-CA 3.31Å; D151-A154 WeakPolarHBondContact O-CB 3.09Å; D151-A154 PolarHBondContact O-N 2.87Å; D151-I155 PolarHBondContact O-N 3.25Å
152	I	43.2	Very low	46.5	Very low	90 Å²	90	51.3 Å²	51.3	46%	0.462	30%	0.3	S	S	.	.	H	α-helix	trans	-51.4	-48.5	-179.1	-68.4	173.6	0	0	0	110.9	Y128 F129 A154 I155 S156	Y128-I152 HydrophobicContact CE1-CG1 4.06Å; F129-I152 HydrophobicContact CD1-CG2 4.17Å; F129-I152 HydrophobicContact CE1-CG2 3.13Å; F129-I152 HydrophobicContact CZ-CG2 3.48Å; F129-I152 VanDerWaalsContact CZ-CG2 3.48Å; I152-A154 VanDerWaalsContact C-N 3.31Å; I152-A154 PolarHBondContact O-N 3.35Å; I152-I155 PolarHBondContact O-N 3.24Å; I152-S156 WeakPolarHBondContact O-CB 3.41Å; I152-S156 PolarHBondContact O-N 2.65Å
153	P	42	Very low	46.5	Very low	81 Å²	81	49.8 Å²	49.8	53%	0.526	29%	0.29	S	S	.	.	H	α-helix	trans	-49.6	-41.1	167.3	-29.8	24.9	0	0	0	115.8	D151 R157	D151-P153 VanDerWaalsContact C-N 3.32Å; D151-P153 WeakPolarHBondContact OD1-CD 2.77Å; D151-P153 WeakPolarHBondContact OD1-CG 2.96Å; P153-R157 VanDerWaalsContact O-CB 3.25Å; P153-R157 WeakPolarHBondContact O-CB 3.17Å; P153-R157 PolarHBondContact O-N 3.24Å
154	A	46.3	Very low	46.3	Very low	26 Å²	26	50.5 Å²	50.5	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-70	-43.2	-179	0	0	0	0	0	111.1	D151 I152 R157 V158	D151-A154 HydrophobicContact CB-CB 3.93Å; D151-A154 WeakPolarHBondContact O-CA 3.31Å; D151-A154 WeakPolarHBondContact O-CB 3.09Å; D151-A154 PolarHBondContact O-N 2.87Å; I152-A154 VanDerWaalsContact C-N 3.31Å; I152-A154 PolarHBondContact O-N 3.35Å; A154-R157 PolarHBondContact O-N 2.78Å; A154-V158 WeakPolarHBondContact O-CB 3.46Å; A154-V158 VanDerWaalsContact O-CG2 3.24Å; A154-V158 WeakPolarHBondContact O-CG2 3.47Å; A154-V158 PolarHBondContact O-N 3.41Å
155	I	45.3	Very low	46	Very low	2 Å²	2	47 Å²	47	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-66.4	-42.4	175.2	-67.3	165.1	0	0	0	110.6	Y128 F143 I148 D151 I152 R157 V158 V159	Y128-I155 HydrophobicContact CD1-CD1 4.47Å; Y128-I155 HydrophobicContact CD1-CG2 4.11Å; Y128-I155 HydrophobicContact CE1-CB 4.27Å; Y128-I155 HydrophobicContact CE1-CD1 3.62Å; Y128-I155 HydrophobicContact CE1-CG2 4.23Å; Y128-I155 HydrophobicContact CE2-CD1 3.85Å; Y128-I155 HydrophobicContact CG-CG2 4.44Å; Y128-I155 WeakPolarHBondContact OH-CD1 3.46Å; F143-I155 HydrophobicContact CB-CD1 4.48Å; F143-I155 HydrophobicContact CD2-CD1 3.65Å; F143-I155 HydrophobicContact CD2-CG1 4.1Å; F143-I155 HydrophobicContact CD2-CG2 4.49Å; F143-I155 HydrophobicContact CE2-CD1 4.05Å; F143-I155 HydrophobicContact CE2-CG1 4.25Å; F143-I155 HydrophobicContact CE2-CG2 3.83Å; F143-I155 HydrophobicContact CG-CD1 4.22Å; F143-I155 HydrophobicContact CG-CG1 4.41Å; F143-I155 HydrophobicContact CZ-CG2 3.94Å; I148-I155 HydrophobicContact CG2-CG1 4.16Å; D151-I155 PolarHBondContact O-N 3.25Å; I152-I155 PolarHBondContact O-N 3.24Å; I155-R157 VanDerWaalsContact C-N 3.32Å; I155-R157 PolarHBondContact O-N 3.28Å; I155-V158 PolarHBondContact O-N 2.89Å; I155-V159 HydrophobicContact CG2-CG2 4.38Å; I155-V159 WeakPolarHBondContact O-CB 3.18Å; I155-V159 VanDerWaalsContact O-CG2 3.31Å; I155-V159 WeakPolarHBondContact O-CG2 3.19Å; I155-V159 PolarHBondContact O-N 3.42Å
156	S	43.8	Very low	45.6	Very low	4 Å²	4	47.1 Å²	47.1	3%	0.028	26%	0.259	C	S	.	.	H	α-helix	trans	-57.2	-44.7	171.4	-98.7	0	0	0	0	112.3	F129 I152 V159 G160	F129-S156 VanDerWaalsContact CE2-OG 3.28Å; F129-S156 WeakPolarHBondContact CE2-OG 3.17Å; F129-S156 WeakPolarHBondContact CZ-OG 3.17Å; I152-S156 WeakPolarHBondContact O-CB 3.41Å; I152-S156 PolarHBondContact O-N 2.65Å; S156-V159 PolarHBondContact O-N 2.87Å; S156-G160 PolarHBondContact O-N 3.47Å
157	R	47.4	Very low	45.4	Very low	169 Å²	169	47.5 Å²	47.5	64%	0.638	26%	0.259	S	S	*	.	H	α-helix	trans	-62.1	-46.6	177.4	177.9	-179.6	-71.6	175.1	-3.8	110.2	P153 A154 I155 V159 G160 E161	P153-R157 VanDerWaalsContact O-CB 3.25Å; P153-R157 WeakPolarHBondContact O-CB 3.17Å; P153-R157 PolarHBondContact O-N 3.24Å; A154-R157 PolarHBondContact O-N 2.78Å; I155-R157 VanDerWaalsContact C-N 3.32Å; I155-R157 PolarHBondContact O-N 3.28Å; R157-V159 PolarHBondContact O-N 3.49Å; R157-G160 PolarHBondContact O-N 3.24Å; R157-E161 HydrophobicContact CG-CG 4.08Å; R157-E161 WeakPolarHBondContact CG-OE1 3.25Å; R157-E161 WeakPolarHBondContact O-CB 3.24Å; R157-E161 VanDerWaalsContact O-CG 3.24Å; R157-E161 WeakPolarHBondContact O-CG 3.42Å; R157-E161 PolarHBondContact O-N 3.22Å
158	V	46.5	Very low	45.2	Very low	27 Å²	27	44.5 Å²	44.5	16%	0.164	23%	0.228	C	C	.	.	H	α-helix	trans	-58.1	-50.3	176.4	168.6	0	0	0	0	110.1	A154 I155 G160 E161 W162	A154-V158 WeakPolarHBondContact O-CB 3.46Å; A154-V158 VanDerWaalsContact O-CG2 3.24Å; A154-V158 WeakPolarHBondContact O-CG2 3.47Å; A154-V158 PolarHBondContact O-N 3.41Å; I155-V158 PolarHBondContact O-N 2.89Å; V158-G160 PolarHBondContact O-N 3.17Å; V158-E161 PolarHBondContact O-N 3.16Å; V158-W162 HydrophobicContact CG1-CD2 4.08Å; V158-W162 HydrophobicContact CG1-CH2 4.23Å; V158-W162 HydrophobicContact CG1-CZ2 3.37Å; V158-W162 WeakPolarHBondContact O-CB 3.42Å; V158-W162 PolarHBondContact O-N 2.98Å; V158-W162 PolarHBondContact O-NE1 3.28Å
159	V	45.7	Very low	44.8	Very low	1 Å²	1	44.8 Å²	44.8	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-38.2	177.9	174.8	0	0	0	0	112.4	P56 A121 I155 S156 R157 W162 A163	P56-V159 HydrophobicContact CB-CG1 4.38Å; P56-V159 HydrophobicContact CG-CG1 3.84Å; A121-V159 HydrophobicContact CB-CG1 4.21Å; I155-V159 HydrophobicContact CG2-CG2 4.38Å; I155-V159 WeakPolarHBondContact O-CB 3.18Å; I155-V159 VanDerWaalsContact O-CG2 3.31Å; I155-V159 WeakPolarHBondContact O-CG2 3.19Å; I155-V159 PolarHBondContact O-N 3.42Å; S156-V159 PolarHBondContact O-N 2.87Å; R157-V159 PolarHBondContact O-N 3.49Å; V159-W162 WeakPolarHBondContact O-CB 3.15Å; V159-W162 PolarHBondContact O-N 2.85Å; V159-A163 PolarHBondContact O-N 3.33Å
160	G	44.1	Very low	44.7	Very low	9 Å²	9	43.8 Å²	43.8	9%	0.093	22%	0.223	C	C	.	.	H	α-helix	trans	-70	-41.5	176.5	0	0	0	0	0	112.8	S156 R157 V158 W162 A163 S164	S156-G160 PolarHBondContact O-N 3.47Å; R157-G160 PolarHBondContact O-N 3.24Å; V158-G160 PolarHBondContact O-N 3.17Å; G160-W162 PolarHBondContact O-N 2.73Å; G160-A163 CarbonylContact O-C 3.54Å; G160-A163 PolarHBondContact O-N 2.83Å; G160-S164 PolarHBondContact O-N 3.29Å
161	E	47.8	Very low	44.4	Very low	60 Å²	60	46.3 Å²	46.3	28%	0.28	24%	0.236	S	C	.	.	H	α-helix	trans	-63.5	-31.6	170.4	-74.6	173.1	169.1	0	0	110.5	R157 V158 S164 Q189 L191	R157-E161 HydrophobicContact CG-CG 4.08Å; R157-E161 WeakPolarHBondContact CG-OE1 3.25Å; R157-E161 WeakPolarHBondContact O-CB 3.24Å; R157-E161 VanDerWaalsContact O-CG 3.24Å; R157-E161 WeakPolarHBondContact O-CG 3.42Å; R157-E161 PolarHBondContact O-N 3.22Å; V158-E161 PolarHBondContact O-N 3.16Å; E161-S164 WeakPolarHBondContact O-CB 3.26Å; E161-S164 PolarHBondContact O-N 3.44Å; E161-S164 PolarHBondContact O-OG 3.33Å; E161-Q189 PolarHBondContact OE2-OE1 3.11Å; E161-L191 HydrophobicContact CB-CD1 4.13Å; E161-L191 WeakPolarHBondContact O-CD1 3.3Å
162	W	45.2	Very low	44.2	Very low	23 Å²	23	43.9 Å²	43.9	9%	0.087	23%	0.228	C	C	.	.	H	α-helix	trans	-72.4	-41.6	173.9	-68	6	0	0	0	113.3	V158 V159 G160 S164 L191 I193 L197 F201	V158-W162 HydrophobicContact CG1-CD2 4.08Å; V158-W162 HydrophobicContact CG1-CH2 4.23Å; V158-W162 HydrophobicContact CG1-CZ2 3.37Å; V158-W162 WeakPolarHBondContact O-CB 3.42Å; V158-W162 PolarHBondContact O-N 2.98Å; V158-W162 PolarHBondContact O-NE1 3.28Å; V159-W162 WeakPolarHBondContact O-CB 3.15Å; V159-W162 PolarHBondContact O-N 2.85Å; G160-W162 PolarHBondContact O-N 2.73Å; W162-S164 PolarHBondContact O-N 3.39Å; W162-L191 VanDerWaalsContact CD1-CD2 3.4Å; W162-I193 HydrophobicContact CD2-CG1 4.28Å; W162-I193 HydrophobicContact CE3-CG1 4.27Å; W162-I193 HydrophobicContact CZ3-CG1 4.49Å; W162-L197 HydrophobicContact CH2-CD1 3.71Å; W162-L197 HydrophobicContact CZ2-CD1 4.25Å; W162-F201 HydrophobicContact CH2-CE2 4.31Å; W162-F201 AromaticContact CZ3-CE2 3.97Å; W162-F201 HydrophobicContact CZ3-CE2 3.97Å
163	A	43.5	Very low	43.8	Very low	3 Å²	3	42.3 Å²	42.3	3%	0.025	23%	0.234	C	C	.	.	S	Bend	trans	-68.7	-5.7	170.4	0	0	0	0	0	111.8	T59 A63 V159 G160	T59-A163 HydrophobicContact CG2-CB 4.09Å; A63-A163 WeakPolarHBondContact CB-O 3.1Å; V159-A163 PolarHBondContact O-N 3.33Å; G160-A163 CarbonylContact O-C 3.54Å; G160-A163 PolarHBondContact O-N 2.83Å
164	S	44.8	Very low	43.5	Very low	17 Å²	17	40.7 Å²	40.7	12%	0.119	22%	0.223	C	C	.	.			trans	-56.9	143.4	-172.3	71.3	0	0	0	0	113.2	G160 E161 W162 R166 K167 V168	G160-S164 PolarHBondContact O-N 3.29Å; E161-S164 WeakPolarHBondContact O-CB 3.26Å; E161-S164 PolarHBondContact O-N 3.44Å; E161-S164 PolarHBondContact O-OG 3.33Å; W162-S164 PolarHBondContact O-N 3.39Å; S164-R166 PolarHBondContact O-N 2.7Å; S164-K167 PolarHBondContact O-N 3.05Å; S164-V168 VanDerWaalsContact O-CG2 3.27Å; S164-V168 WeakPolarHBondContact O-CG2 3.44Å
165	T	42	Very low	43.1	Very low	2 Å²	2	48 Å²	48	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-37.3	-37.9	175	-59.1	0	0	0	0	114.3	D60 Y62 A63 A66 V168 F169 V183	D60-T165 VanDerWaalsContact CG-OG1 3.27Å; D60-T165 PolarHBondContact OD1-OG1 3.06Å; D60-T165 PolarHBondContact OD2-OG1 3.18Å; Y62-T165 WeakPolarHBondContact CB-OG1 3.46Å; A63-T165 WeakPolarHBondContact CA-OG1 3.03Å; A63-T165 WeakPolarHBondContact CB-OG1 3.5Å; A63-T165 PolarHBondContact N-OG1 2.57Å; A66-T165 HydrophobicContact CB-CG2 4.46Å; T165-V168 WeakPolarHBondContact O-CB 3.48Å; T165-V168 PolarHBondContact O-N 3.49Å; T165-F169 HydrophobicContact CG2-CD2 3.35Å; T165-F169 HydrophobicContact CG2-CE2 3.17Å; T165-F169 HydrophobicContact CG2-CZ 4.39Å; T165-F169 WeakPolarHBondContact O-CD2 3.38Å; T165-F169 PolarHBondContact O-N 3.27Å; T165-V183 HydrophobicContact CG2-CG1 4.29Å
166	R	41.2	Very low	42.7	Very low	103 Å²	103	53 Å²	53	39%	0.389	29%	0.285	S	S	.	.	H	α-helix	trans	-64.1	-45	-177.7	-173.5	178.3	176.5	135.1	8.5	112.8	S164 V168 S170 E180	S164-R166 PolarHBondContact O-N 2.7Å; R166-V168 VanDerWaalsContact C-N 3.33Å; R166-S170 WeakPolarHBondContact O-CB 3.15Å; R166-S170 PolarHBondContact O-N 2.93Å; R166-E180 IonicContact CZ-OE1 2.86Å; R166-E180 IonicContact NH1-OE1 3.33Å; R166-E180 PolarHBondContact NH1-OE1 2.93Å; R166-E180 IonicContact NH2-OE1 3.84Å; R166-E180 PolarHBondContact NH2-OE1 3.26Å
167	K	45.8	Very low	42.3	Very low	58 Å²	58	59.5 Å²	59.5	25%	0.252	32%	0.318	S	S	.	.	H	α-helix	trans	-69.8	-37.8	-178.9	-166.9	151.5	-175.3	174.7	0	110.6	S164 L171 L191	S164-K167 PolarHBondContact O-N 3.05Å; K167-L171 HydrophobicContact CD-CD1 4.46Å; K167-L171 HydrophobicContact CG-CD1 3.57Å; K167-L171 HydrophobicContact CG-CG 4.27Å; K167-L171 VanDerWaalsContact O-CB 3.26Å; K167-L171 WeakPolarHBondContact O-CB 3.39Å; K167-L171 WeakPolarHBondContact O-CG 3.44Å; K167-L171 PolarHBondContact O-N 2.87Å; K167-L191 PolarHBondContact NZ-O 2.67Å; K167-L191 VanDerWaalsContact NZ-O 3.11Å
168	V	45	Very low	41.6	Very low	1 Å²	1	54.4 Å²	54.4	1%	0.006	30%	0.303	C	S	.	.	H	α-helix	trans	-54.9	-58	174.2	-167.9	0	0	0	0	111.5	A66 W67 L70 S164 T165 R166 L171 A172	A66-V168 HydrophobicContact CB-CB 4.05Å; A66-V168 HydrophobicContact CB-CG1 3.55Å; W67-V168 HydrophobicContact CD2-CB 4.18Å; W67-V168 HydrophobicContact CD2-CG1 3.35Å; W67-V168 HydrophobicContact CD2-CG2 3.94Å; W67-V168 VanDerWaalsContact CE2-CG1 3.43Å; W67-V168 HydrophobicContact CE3-CG1 3.61Å; W67-V168 HydrophobicContact CG-CG1 3.82Å; W67-V168 HydrophobicContact CG-CG2 4.22Å; W67-V168 HydrophobicContact CH2-CB 4.17Å; W67-V168 HydrophobicContact CH2-CG1 3.85Å; W67-V168 HydrophobicContact CH2-CG2 4.28Å; W67-V168 HydrophobicContact CZ2-CB 3.76Å; W67-V168 HydrophobicContact CZ2-CG1 3.72Å; W67-V168 HydrophobicContact CZ2-CG2 3.38Å; W67-V168 HydrophobicContact CZ3-CG1 3.83Å; L70-V168 HydrophobicContact CD1-CB 4.36Å; L70-V168 HydrophobicContact CD1-CG1 3.16Å; S164-V168 VanDerWaalsContact O-CG2 3.27Å; S164-V168 WeakPolarHBondContact O-CG2 3.44Å; T165-V168 WeakPolarHBondContact O-CB 3.48Å; T165-V168 PolarHBondContact O-N 3.49Å; R166-V168 VanDerWaalsContact C-N 3.33Å; V168-L171 PolarHBondContact O-N 2.77Å; V168-A172 WeakPolarHBondContact O-CB 3.26Å; V168-A172 PolarHBondContact O-N 3.25Å
169	F	41.7	Very low	41.2	Very low	42 Å²	42	60.5 Å²	60.5	18%	0.184	33%	0.327	C	S	.	.	H	α-helix	trans	-71.2	-35.8	-177.3	-73.1	-54.3	0	0	0	113	A66 T165 A172 G173 V174 I178	A66-F169 HydrophobicContact CB-CD1 4.15Å; A66-F169 HydrophobicContact CB-CD2 4.05Å; A66-F169 HydrophobicContact CB-CE1 3.56Å; A66-F169 HydrophobicContact CB-CE2 3.46Å; A66-F169 VanDerWaalsContact CB-CE2 3.46Å; A66-F169 HydrophobicContact CB-CG 4.37Å; A66-F169 HydrophobicContact CB-CZ 3.19Å; T165-F169 HydrophobicContact CG2-CD2 3.35Å; T165-F169 HydrophobicContact CG2-CE2 3.17Å; T165-F169 HydrophobicContact CG2-CZ 4.39Å; T165-F169 WeakPolarHBondContact O-CD2 3.38Å; T165-F169 PolarHBondContact O-N 3.27Å; F169-A172 PolarHBondContact O-N 2.98Å; F169-G173 PolarHBondContact O-N 3Å; F169-V174 HydrophobicContact CB-CB 4.22Å; F169-V174 HydrophobicContact CD1-CB 4.02Å; F169-V174 HydrophobicContact CD1-CG1 4.16Å; F169-V174 HydrophobicContact CD1-CG2 4.25Å; F169-V174 PolarHBondContact O-N 2.67Å; F169-I178 HydrophobicContact CD1-CD1 4.4Å; F169-I178 HydrophobicContact CD2-CD1 3.35Å; F169-I178 HydrophobicContact CE1-CD1 4.17Å; F169-I178 HydrophobicContact CE2-CD1 3.01Å; F169-I178 HydrophobicContact CG-CD1 4.05Å; F169-I178 HydrophobicContact CZ-CD1 3.49Å; F169-I178 VanDerWaalsContact CZ-CD1 3.49Å
170	S	43.3	Very low	40.7	Very low	66 Å²	66	65.9 Å²	65.9	46%	0.462	35%	0.352	S	S	.	.	H	α-helix	trans	-62.4	-46.3	175.2	-174.2	0	0	0	0	111.7	R166 A172 G173	R166-S170 WeakPolarHBondContact O-CB 3.15Å; R166-S170 PolarHBondContact O-N 2.93Å; S170-A172 VanDerWaalsContact C-N 3.35Å; S170-G173 PolarHBondContact O-N 3.03Å; S170-G173 VanDerWaalsContact O-N 3.13Å
171	L	42.5	Very low	40.4	Very low	99 Å²	99	72.2 Å²	72.2	52%	0.518	38%	0.384	S	S	.	.	H	α-helix	trans	-73.3	-28	-179.9	-68.9	171.4	0	0	0	112.8	V114 K167 V168 G173	V114-L171 HydrophobicContact CB-CD1 4.43Å; V114-L171 HydrophobicContact CG2-CB 4.28Å; V114-L171 HydrophobicContact CG2-CD1 3.26Å; V114-L171 HydrophobicContact CG2-CG 4.37Å; K167-L171 HydrophobicContact CD-CD1 4.46Å; K167-L171 HydrophobicContact CG-CD1 3.57Å; K167-L171 HydrophobicContact CG-CG 4.27Å; K167-L171 VanDerWaalsContact O-CB 3.26Å; K167-L171 WeakPolarHBondContact O-CB 3.39Å; K167-L171 WeakPolarHBondContact O-CG 3.44Å; K167-L171 PolarHBondContact O-N 2.87Å; V168-L171 PolarHBondContact O-N 2.77Å; L171-G173 PolarHBondContact O-N 2.72Å
172	A	40.7	Very low	39.9	Very low	38 Å²	38	74.9 Å²	74.9	31%	0.314	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-5.9	169	0	0	0	0	0	114.7	L70 V168 F169 S170 V174	L70-A172 HydrophobicContact CD1-CB 3.59Å; L70-A172 HydrophobicContact CD2-CB 3.23Å; L70-A172 HydrophobicContact CG-CB 3.87Å; V168-A172 WeakPolarHBondContact O-CB 3.26Å; V168-A172 PolarHBondContact O-N 3.25Å; F169-A172 PolarHBondContact O-N 2.98Å; S170-A172 VanDerWaalsContact C-N 3.35Å; A172-V174 HydrophobicContact CB-CG2 3.81Å; A172-V174 PolarHBondContact O-N 3.24Å
173	G	34.9	Very low	39.4	Very low	57 Å²	57	75.6 Å²	75.6	59%	0.588	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	10.7	-173	0	0	0	0	0	114.2	F169 S170 L171 K175	F169-G173 PolarHBondContact O-N 3Å; S170-G173 PolarHBondContact O-N 3.03Å; S170-G173 VanDerWaalsContact O-N 3.13Å; L171-G173 PolarHBondContact O-N 2.72Å; G173-K175 PolarHBondContact O-N 2.99Å
174	V	36.7	Very low	38.9	Very low	48 Å²	48	79 Å²	79	29%	0.291	42%	0.421	S	S	.	.			trans	-81.1	70.3	177.7	-173	0	0	0	0	108.8	F169 A172 S176 I177	F169-V174 HydrophobicContact CB-CB 4.22Å; F169-V174 HydrophobicContact CD1-CB 4.02Å; F169-V174 HydrophobicContact CD1-CG1 4.16Å; F169-V174 HydrophobicContact CD1-CG2 4.25Å; F169-V174 PolarHBondContact O-N 2.67Å; A172-V174 HydrophobicContact CB-CG2 3.81Å; A172-V174 PolarHBondContact O-N 3.24Å; V174-S176 VanDerWaalsContact C-N 3.34Å; V174-S176 PolarHBondContact O-N 2.88Å; V174-I177 HydrophobicContact CG1-CB 4.04Å; V174-I177 HydrophobicContact CG1-CD1 3.99Å; V174-I177 HydrophobicContact CG1-CG1 4.06Å
175	K	37.1	Very low	38.5	Very low	178 Å²	178	84.4 Å²	84.4	77%	0.774	45%	0.454	S	S	*	.			trans	-80.8	-5.7	-176	-78.4	-173.4	174.7	-179.7	0	115	G173	G173-K175 PolarHBondContact O-N 2.99Å
176	S	36.9	Very low	38.1	Very low	109 Å²	109	91.6 Å²	91.6	76%	0.762	49%	0.487	S	S	*	.	S	Bend	trans	-129.6	-13.3	-162.2	53.9	0	0	0	0	117	V174	V174-S176 VanDerWaalsContact C-N 3.34Å; V174-S176 PolarHBondContact O-N 2.88Å
177	I	34.7	Very low	37.8	Very low	139 Å²	139	90.6 Å²	90.6	71%	0.713	50%	0.501	S	S	*	.	S	Bend	trans	-86.4	-25.2	-172.9	-61.1	179.6	0	0	0	112.2	V174	V174-I177 HydrophobicContact CG1-CB 4.04Å; V174-I177 HydrophobicContact CG1-CD1 3.99Å; V174-I177 HydrophobicContact CG1-CG1 4.06Å
178	I	33.4	Very low	37.2	Very low	63 Å²	63	91.4 Å²	91.4	32%	0.323	51%	0.512	S	S	.	.	S	Bend	trans	-122.6	116.3	-172.5	-60.1	175.7	0	0	0	107.9	F169 V183	F169-I178 HydrophobicContact CD1-CD1 4.4Å; F169-I178 HydrophobicContact CD2-CD1 3.35Å; F169-I178 HydrophobicContact CE1-CD1 4.17Å; F169-I178 HydrophobicContact CE2-CD1 3.01Å; F169-I178 HydrophobicContact CG-CD1 4.05Å; F169-I178 HydrophobicContact CZ-CD1 3.49Å; F169-I178 VanDerWaalsContact CZ-CD1 3.49Å; I178-V183 HydrophobicContact CG2-CG2 3.28Å
179	K	38.3	Very low	36.7	Very low	155 Å²	155	96.5 Å²	96.5	67%	0.674	54%	0.536	S	S	*	.			trans	-72.4	140.3	172.5	-61.9	179.6	176.8	178.1	0	108.1	N181 D182	K179-N181 PolarHBondContact O-N 3.17Å; K179-D182 WeakPolarHBondContact CB-OD2 3.44Å; K179-D182 WeakPolarHBondContact O-CB 2.94Å; K179-D182 PolarHBondContact O-N 3.19Å
180	E	34.9	Very low	36.3	Very low	113 Å²	113	101.9 Å²	101.9	53%	0.528	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-48.6	-37.6	-177.6	-88.3	-179.9	119.6	0	0	113.5	R166 D182	R166-E180 IonicContact CZ-OE1 2.86Å; R166-E180 IonicContact NH1-OE1 3.33Å; R166-E180 PolarHBondContact NH1-OE1 2.93Å; R166-E180 IonicContact NH2-OE1 3.84Å; R166-E180 PolarHBondContact NH2-OE1 3.26Å; E180-D182 VanDerWaalsContact C-N 3.33Å; E180-D182 PolarHBondContact O-N 2.79Å
181	N	38.5	Very low	35.9	Very low	142 Å²	142	100.7 Å²	100.7	76%	0.759	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-75.8	-18	-177.5	-56.6	-8.3	0	0	0	113.7	K179 V183	K179-N181 PolarHBondContact O-N 3.17Å; N181-V183 VanDerWaalsContact C-N 3.29Å; N181-V183 PolarHBondContact O-N 2.75Å
182	D	36.8	Very low	35.6	Very low	117 Å²	117	105.2 Å²	105.2	63%	0.626	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-76.9	-17.6	-173.9	-69	-23.3	0	0	0	112.4	K179 E180	K179-D182 WeakPolarHBondContact CB-OD2 3.44Å; K179-D182 WeakPolarHBondContact O-CB 2.94Å; K179-D182 PolarHBondContact O-N 3.19Å; E180-D182 VanDerWaalsContact C-N 3.33Å; E180-D182 PolarHBondContact O-N 2.79Å
183	V	34.1	Very low	35.7	Very low	37 Å²	37	104.5 Å²	104.5	22%	0.224	55%	0.551	C	S	.	*	T	Hydrogen-bonded Turn	trans	-118.2	-28.6	-176.5	-165.4	0	0	0	0	112.5	Y62 T165 I178 N181	Y62-V183 HydrophobicContact CD2-CG1 4.19Å; Y62-V183 HydrophobicContact CG-CG1 4.39Å; T165-V183 HydrophobicContact CG2-CG1 4.29Å; I178-V183 HydrophobicContact CG2-CG2 3.28Å; N181-V183 VanDerWaalsContact C-N 3.29Å; N181-V183 PolarHBondContact O-N 2.75Å
184	F	32.6	Very low	36.3	Very low	74 Å²	74	105 Å²	105	33%	0.325	54%	0.539	S	S	.	.			trans	-142.4	141.2	-176.4	-56.2	-75.6	0	0	0	112.7	D60 H186	D60-F184 WeakPolarHBondContact OD2-CZ 3.43Å; F184-H186 VanDerWaalsContact C-N 3.34Å
185	T	36.4	Very low	36.8	Very low	132 Å²	132	107.9 Å²	107.9	81%	0.81	55%	0.553	S	S	*	*	S	Bend	trans	-89.7	1	170.7	47.5	0	0	0	0	112.9
186	H	34.2	Very low	37.3	Very low	153 Å²	153	105.8 Å²	105.8	71%	0.708	55%	0.546	S	S	*	.	S	Bend	trans	-111.3	145.3	-175.3	-62.4	-41.9	0	0	0	112.2	F184	F184-H186 VanDerWaalsContact C-N 3.34Å
187	A	35.1	Very low	37.8	Very low	82 Å²	82	100.9 Å²	100.9	68%	0.678	51%	0.511	S	S	*	.			trans	-58.6	154.8	-175.6	0	0	0	0	0	112.2	Q189	A187-Q189 PolarHBondContact O-N 3.43Å
188	P	34.1	Very low	38.5	Very low	74 Å²	74	97.9 Å²	97.9	48%	0.481	49%	0.49	S	S	.	.			trans	-56.1	104.5	173.1	-12.9	24.1	0	0	0	109.5	E190	P188-E190 PolarHBondContact O-N 3.44Å
189	Q	33.8	Very low	39.3	Very low	108 Å²	108	98.2 Å²	98.2	51%	0.505	50%	0.497	S	S	.	.			trans	-74.6	114.4	159.7	-71	173.9	-1.8	0	0	105.7	E161 A187 L191	E161-Q189 PolarHBondContact OE2-OE1 3.11Å; A187-Q189 PolarHBondContact O-N 3.43Å; Q189-L191 HydrophobicContact CB-CD2 4.24Å; Q189-L191 HydrophobicContact CB-CG 4.02Å; Q189-L191 PolarHBondContact O-N 2.91Å
190	E	34.1	Very low	39.7	Very low	156 Å²	156	93.3 Å²	93.3	73%	0.729	47%	0.474	S	S	*	.			trans	-64.3	85.6	163.7	-78.4	-167.6	170.4	0	0	107.4	P188 R192	P188-E190 PolarHBondContact O-N 3.44Å; E190-R192 PolarHBondContact O-N 3.01Å
191	L	35	Very low	40.4	Very low	41 Å²	41	88.1 Å²	88.1	22%	0.215	45%	0.45	C	S	.	.			trans	-73.6	77	176	-70.1	165.4	0	0	0	108	E161 W162 K167 Q189 I193	E161-L191 HydrophobicContact CB-CD1 4.13Å; E161-L191 WeakPolarHBondContact O-CD1 3.3Å; W162-L191 VanDerWaalsContact CD1-CD2 3.4Å; K167-L191 PolarHBondContact NZ-O 2.67Å; K167-L191 VanDerWaalsContact NZ-O 3.11Å; Q189-L191 HydrophobicContact CB-CD2 4.24Å; Q189-L191 HydrophobicContact CB-CG 4.02Å; Q189-L191 PolarHBondContact O-N 2.91Å; L191-I193 VanDerWaalsContact C-N 3.26Å; L191-I193 PolarHBondContact O-N 2.75Å
192	R	35.8	Very low	40.8	Very low	194 Å²	194	85.3 Å²	85.3	73%	0.732	44%	0.435	S	S	*	.			trans	-60.9	100.4	154.1	-68.4	-174.6	-173.1	-169.9	1.4	104.6	E190 I194	E190-R192 PolarHBondContact O-N 3.01Å; R192-I194 PolarHBondContact O-N 3.34Å
193	I	43.4	Very low	41.2	Very low	23 Å²	23	83.1 Å²	83.1	12%	0.118	43%	0.429	C	S	.	.			trans	-56.5	97.5	144.1	-64.9	172.7	0	0	0	101.2	W162 L191 D195	W162-I193 HydrophobicContact CD2-CG1 4.28Å; W162-I193 HydrophobicContact CE3-CG1 4.27Å; W162-I193 HydrophobicContact CZ3-CG1 4.49Å; L191-I193 VanDerWaalsContact C-N 3.26Å; L191-I193 PolarHBondContact O-N 2.75Å; I193-D195 PolarHBondContact O-N 3.06Å
194	I	46.5	Very low	41.6	Very low	67 Å²	67	84.2 Å²	84.2	34%	0.344	44%	0.436	S	S	.	.			trans	-56.8	121.8	175	-47	173.4	0	0	0	101.9	L146 R192 E196 L197	L146-I194 HydrophobicContact CD1-CD1 4.2Å; L146-I194 HydrophobicContact CD2-CD1 3.66Å; L146-I194 HydrophobicContact CG-CD1 4.47Å; R192-I194 PolarHBondContact O-N 3.34Å; I194-E196 HydrophobicContact CB-CB 4.1Å; I194-E196 HydrophobicContact CB-CG 4.46Å; I194-E196 HydrophobicContact CG2-CB 3.72Å; I194-E196 HydrophobicContact CG2-CG 3.54Å; I194-E196 WeakPolarHBondContact CG2-OE2 3.14Å; I194-E196 PolarHBondContact O-N 2.95Å; I194-L197 PolarHBondContact O-N 3.37Å
195	D	48.1	Very low	42.3	Very low	109 Å²	109	82.1 Å²	82.1	58%	0.583	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-15.4	-178.6	-70.2	-58.5	0	0	0	111.8	I193 R198 P199	I193-D195 PolarHBondContact O-N 3.06Å; D195-R198 IonicContact OD1-CZ 3.98Å; D195-R198 IonicContact OD1-NH1 2.88Å; D195-R198 PolarHBondContact OD1-NH1 2.61Å; D195-R198 IonicContact OD1-NH2 3.29Å; D195-P199 WeakPolarHBondContact O-CD 3.02Å
196	E	46.9	Very low	42.9	Very low	133 Å²	133	84.5 Å²	84.5	62%	0.621	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-38.9	166.4	-66.5	170.4	-162.3	0	0	116.3	L146 I194 P199	L146-E196 WeakPolarHBondContact CD2-OE2 3.34Å; I194-E196 HydrophobicContact CB-CB 4.1Å; I194-E196 HydrophobicContact CB-CG 4.46Å; I194-E196 HydrophobicContact CG2-CB 3.72Å; I194-E196 HydrophobicContact CG2-CG 3.54Å; I194-E196 WeakPolarHBondContact CG2-OE2 3.14Å; I194-E196 PolarHBondContact O-N 2.95Å; E196-P199 WeakPolarHBondContact O-CD 3.49Å
197	L	47.7	Very low	43.7	Very low	6 Å²	6	80.9 Å²	80.9	3%	0.031	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-25	-178.2	-74	179.3	0	0	0	113.3	P142 F143 L146 W162 I194 Y200 F201	P142-L197 HydrophobicContact CB-CD2 4.47Å; F143-L197 HydrophobicContact CD1-CD1 3.95Å; F143-L197 HydrophobicContact CD1-CD2 4.22Å; F143-L197 HydrophobicContact CE1-CD1 3.49Å; F143-L197 VanDerWaalsContact CE1-CD1 3.49Å; F143-L197 HydrophobicContact CE1-CD2 4.19Å; F143-L197 HydrophobicContact CZ-CD1 4.45Å; L146-L197 HydrophobicContact CD1-CD1 3.57Å; L146-L197 HydrophobicContact CD1-CD2 3.56Å; L146-L197 HydrophobicContact CD1-CG 3.51Å; W162-L197 HydrophobicContact CH2-CD1 3.71Å; W162-L197 HydrophobicContact CZ2-CD1 4.25Å; I194-L197 PolarHBondContact O-N 3.37Å; L197-Y200 WeakPolarHBondContact O-CB 3.39Å; L197-Y200 PolarHBondContact O-N 2.93Å; L197-F201 HydrophobicContact CB-CD2 4.47Å; L197-F201 HydrophobicContact CB-CE2 4Å; L197-F201 VanDerWaalsContact O-CD2 3.29Å; L197-F201 WeakPolarHBondContact O-CD2 3.08Å; L197-F201 PolarHBondContact O-N 2.61Å
198	R	49.3	Very low	44.8	Very low	76 Å²	76	77.3 Å²	77.3	29%	0.287	39%	0.39	S	S	.	.	H	α-helix	trans	-56.9	-45	-179.4	-172.6	-169.8	-73.6	122.7	-0.1	111.8	D117 D195 Y200 F201 L202	D117-R198 IonicContact OD1-CZ 2.7Å; D117-R198 IonicContact OD1-NE 3.63Å; D117-R198 PolarHBondContact OD1-NE 2.7Å; D117-R198 IonicContact OD1-NH2 3.78Å; D117-R198 PolarHBondContact OD1-NH2 3.42Å; D117-R198 IonicContact OD2-NH2 2.85Å; D195-R198 IonicContact OD1-CZ 3.98Å; D195-R198 IonicContact OD1-NH1 2.88Å; D195-R198 PolarHBondContact OD1-NH1 2.61Å; D195-R198 IonicContact OD1-NH2 3.29Å; R198-Y200 VanDerWaalsContact C-N 3.28Å; R198-Y200 PolarHBondContact O-N 3.2Å; R198-F201 PolarHBondContact O-N 3.39Å; R198-L202 HydrophobicContact CG-CD1 3.66Å; R198-L202 HydrophobicContact CG-CG 4.16Å; R198-L202 WeakPolarHBondContact O-CB 3.17Å; R198-L202 WeakPolarHBondContact O-CG 3.38Å; R198-L202 PolarHBondContact O-N 3.26Å
199	P	48.7	Very low	46.1	Very low	70 Å²	70	76.8 Å²	76.8	46%	0.455	38%	0.38	S	S	.	.	H	α-helix	trans	-56.3	-37.8	173	-27.1	33.3	0	0	0	114	D195 E196 F201 L202 S203	D195-P199 WeakPolarHBondContact O-CD 3.02Å; E196-P199 WeakPolarHBondContact O-CD 3.49Å; P199-F201 VanDerWaalsContact C-N 3.32Å; P199-F201 PolarHBondContact O-N 2.86Å; P199-L202 PolarHBondContact O-N 3.47Å; P199-S203 WeakPolarHBondContact O-CA 3.26Å; P199-S203 WeakPolarHBondContact O-CB 2.99Å; P199-S203 PolarHBondContact O-N 3.26Å; P199-S203 PolarHBondContact O-OG 2.78Å
200	Y	48	Very low	47.7	Very low	52 Å²	52	71.8 Å²	71.8	20%	0.204	36%	0.357	C	S	.	.	H	α-helix	trans	-66.2	-33.7	-179.3	177.1	-100.4	0	0	0	112.7	P142 L197 R198 S203 P205	P142-Y200 HydrophobicContact CG-CD1 4.13Å; P142-Y200 HydrophobicContact CG-CD2 3.55Å; P142-Y200 HydrophobicContact CG-CE1 4.21Å; P142-Y200 HydrophobicContact CG-CE2 3.61Å; P142-Y200 HydrophobicContact CG-CG 3.81Å; L197-Y200 WeakPolarHBondContact O-CB 3.39Å; L197-Y200 PolarHBondContact O-N 2.93Å; R198-Y200 VanDerWaalsContact C-N 3.28Å; R198-Y200 PolarHBondContact O-N 3.2Å; Y200-S203 CarbonylContact C-O 3.59Å; Y200-P205 HydrophobicContact CD2-CG 4.39Å; Y200-P205 HydrophobicContact CE2-CG 3.67Å
201	F	48.6	Very low	49.5	Very low	5 Å²	5	64.5 Å²	64.5	2%	0.022	32%	0.323	C	S	.	.	H	α-helix	trans	-88.6	-25.5	177.7	-62.3	-49.2	0	0	0	114	V120 A124 F143 W162 L197 R198 P199	V120-F201 HydrophobicContact CG1-CB 3.57Å; V120-F201 HydrophobicContact CG1-CD2 3.91Å; V120-F201 HydrophobicContact CG1-CG 4.12Å; A124-F201 HydrophobicContact CB-CB 4.48Å; A124-F201 HydrophobicContact CB-CD1 3.17Å; A124-F201 HydrophobicContact CB-CD2 3.87Å; A124-F201 HydrophobicContact CB-CE1 3.07Å; A124-F201 HydrophobicContact CB-CE2 3.77Å; A124-F201 HydrophobicContact CB-CG 3.58Å; A124-F201 HydrophobicContact CB-CZ 3.38Å; F143-F201 HydrophobicContact CE1-CZ 4.39Å; F143-F201 HydrophobicContact CE2-CZ 4.18Å; F143-F201 HydrophobicContact CZ-CE1 4.36Å; F143-F201 AromaticContact CZ-CZ 3.59Å; F143-F201 HydrophobicContact CZ-CZ 3.59Å; W162-F201 HydrophobicContact CH2-CE2 4.31Å; W162-F201 AromaticContact CZ3-CE2 3.97Å; W162-F201 HydrophobicContact CZ3-CE2 3.97Å; L197-F201 HydrophobicContact CB-CD2 4.47Å; L197-F201 HydrophobicContact CB-CE2 4Å; L197-F201 VanDerWaalsContact O-CD2 3.29Å; L197-F201 WeakPolarHBondContact O-CD2 3.08Å; L197-F201 PolarHBondContact O-N 2.61Å; R198-F201 PolarHBondContact O-N 3.39Å; P199-F201 VanDerWaalsContact C-N 3.32Å; P199-F201 PolarHBondContact O-N 2.86Å
202	L	47.3	Very low	51.4	Low	83 Å²	83	67.3 Å²	67.3	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-80.9	-35.4	174.4	-73.5	177.8	0	0	0	112.3	T116 V120 R198 P199	T116-L202 HydrophobicContact CG2-CD2 4.48Å; V120-L202 HydrophobicContact CG2-CD2 3.36Å; V120-L202 HydrophobicContact CG2-CG 3.87Å; R198-L202 HydrophobicContact CG-CD1 3.66Å; R198-L202 HydrophobicContact CG-CG 4.16Å; R198-L202 WeakPolarHBondContact O-CB 3.17Å; R198-L202 WeakPolarHBondContact O-CG 3.38Å; R198-L202 PolarHBondContact O-N 3.26Å; P199-L202 PolarHBondContact O-N 3.47Å
203	S	45.2	Very low	53.3	Low	71 Å²	71	59.1 Å²	59.1	50%	0.497	31%	0.305	S	S	.	.	S	Bend	trans	-107.6	106.7	178.8	-47.2	0	0	0	0	107.5	P199 Y200	P199-S203 WeakPolarHBondContact O-CA 3.26Å; P199-S203 WeakPolarHBondContact O-CB 2.99Å; P199-S203 PolarHBondContact O-N 3.26Å; P199-S203 PolarHBondContact O-OG 2.78Å; Y200-S203 CarbonylContact C-O 3.59Å
204	P	43.8	Very low	55.1	Low	59 Å²	59	58 Å²	58	38%	0.383	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-55.4	143.3	175.5	25	-33.2	0	0	0	109.6	W127	W127-P204 HydrophobicContact CE3-CB 4.49Å; W127-P204 HydrophobicContact CH2-CB 3.38Å; W127-P204 HydrophobicContact CH2-CG 4.29Å; W127-P204 HydrophobicContact CZ2-CB 3.8Å; W127-P204 HydrophobicContact CZ3-CB 3.71Å
205	P	46.1	Very low	56.7	Low	30 Å²	30	58 Å²	58	20%	0.195	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-53.7	155	171.8	-26.5	37.6	0	0	0	110.8	N134 Y200	N134-P205 WeakPolarHBondContact ND2-CD 3.5Å; N134-P205 VanDerWaalsContact ND2-CG 3.26Å; N134-P205 WeakPolarHBondContact ND2-CG 3.41Å; N134-P205 VanDerWaalsContact OD1-CB 3.3Å; N134-P205 WeakPolarHBondContact OD1-CB 3.14Å; N134-P205 VanDerWaalsContact OD1-CG 3.24Å; N134-P205 WeakPolarHBondContact OD1-CG 3.15Å; Y200-P205 HydrophobicContact CD2-CG 4.39Å; Y200-P205 HydrophobicContact CE2-CG 3.67Å
206	K	48.2	Very low	58.3	Low	182 Å²	182	56.3 Å²	56.3	79%	0.791	29%	0.285	S	S	*	.	S	Bend	trans	-50.5	157.9	177.5	-80.1	-175.7	179.5	-180	0	111.4	S208	K206-S208 PolarHBondContact O-N 3.48Å
207	P	51	Low	60	Low	77 Å²	77	58.2 Å²	58.2	50%	0.5	29%	0.292	S	S	.	.	S	Bend	trans	-42.4	128.6	-178.3	13	-29.8	0	0	0	112	I211	P207-I211 HydrophobicContact CB-CG2 4.32Å
208	S	58.7	Low	61.7	Low	8 Å²	8	60 Å²	60	6%	0.056	30%	0.302	C	S	.	.			trans	-70.2	163	-157.6	61.5	0	0	0	0	116.3	L133 K206 I210 I211 E212	L133-S208 WeakPolarHBondContact O-CB 3.1Å; L133-S208 PolarHBondContact O-OG 2.88Å; K206-S208 PolarHBondContact O-N 3.48Å; S208-I210 PolarHBondContact O-N 3.02Å; S208-I210 VanDerWaalsContact O-N 3.13Å; S208-I210 PolarHBondContact OG-N 2.96Å; S208-I211 CarbonylContact O-C 3.52Å; S208-I211 WeakPolarHBondContact O-CA 3.25Å; S208-I211 WeakPolarHBondContact O-CB 3.41Å; S208-I211 PolarHBondContact O-N 3.33Å; S208-I211 WeakPolarHBondContact OG-CG1 3.18Å; S208-I211 PolarHBondContact OG-N 3.07Å; S208-I211 VanDerWaalsContact OG-N 3.13Å; S208-E212 PolarHBondContact O-N 3.03Å
209	H	61.1	Low	63.5	Low	62 Å²	62	56.6 Å²	56.6	29%	0.287	29%	0.29	S	S	.	.	H	α-helix	trans	-49.5	-35	163.2	-69.6	-48.2	0	0	0	113.3	D136 E212 F213	D136-H209 IonicContact OD1-CD2 2.65Å; D136-H209 PolarHBondContact OD1-CD2 2.68Å; D136-H209 IonicContact OD1-CG 2.77Å; D136-H209 IonicContact OD1-NE2 3.87Å; D136-H209 PolarHBondContact OD1-NE2 2.69Å; H209-E212 IonicContact CE1-OE2 2.93Å; H209-E212 IonicContact CG-OE2 3.19Å; H209-E212 IonicContact ND1-OE2 2.72Å; H209-E212 PolarHBondContact ND1-OE2 3.07Å; H209-E212 WeakPolarHBondContact O-CB 3.47Å; H209-E212 PolarHBondContact O-N 3.12Å; H209-F213 WeakPolarHBondContact O-CB 2.92Å; H209-F213 VanDerWaalsContact O-CD2 3.28Å; H209-F213 WeakPolarHBondContact O-CD2 3.48Å; H209-F213 PolarHBondContact O-N 3.21Å
210	I	67.2	Low	65.4	Low	4 Å²	4	54.6 Å²	54.6	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-47.4	174.3	-55.9	-162	0	0	0	110.1	R132 L133 S208 E212 F213 L214 L266 Y270	R132-I210 WeakPolarHBondContact O-CD1 3.12Å; L133-I210 HydrophobicContact CD2-CB 3.69Å; L133-I210 HydrophobicContact CD2-CD1 4.21Å; L133-I210 HydrophobicContact CD2-CG1 4.33Å; L133-I210 HydrophobicContact CD2-CG2 3.75Å; S208-I210 PolarHBondContact O-N 3.02Å; S208-I210 VanDerWaalsContact O-N 3.13Å; S208-I210 PolarHBondContact OG-N 2.96Å; I210-E212 VanDerWaalsContact C-N 3.3Å; I210-E212 PolarHBondContact O-N 3.46Å; I210-F213 WeakPolarHBondContact O-CB 2.96Å; I210-F213 PolarHBondContact O-N 2.75Å; I210-L214 HydrophobicContact CG2-CD1 4.1Å; I210-L214 HydrophobicContact CG2-CG 4.3Å; I210-L214 WeakPolarHBondContact O-CB 3.25Å; I210-L214 VanDerWaalsContact O-CG 3.25Å; I210-L214 WeakPolarHBondContact O-CG 3.27Å; I210-L214 PolarHBondContact O-N 3.41Å; I210-L266 HydrophobicContact CG2-CD2 4.41Å; I210-Y270 HydrophobicContact CB-CD2 4.29Å; I210-Y270 HydrophobicContact CD1-CD1 4.47Å; I210-Y270 HydrophobicContact CD1-CD2 4.22Å; I210-Y270 HydrophobicContact CD1-CG 3.86Å; I210-Y270 HydrophobicContact CG1-CD2 3.62Å; I210-Y270 HydrophobicContact CG1-CE2 4.23Å; I210-Y270 HydrophobicContact CG1-CG 3.8Å
211	I	72.5	Confident	67.2	Low	3 Å²	3	53.3 Å²	53.3	2%	0.015	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-42	174.5	-64.2	-52.8	0	0	0	110.5	L133 P207 S208 F213 L214 Q215 L239 V338 M341	L133-I211 HydrophobicContact CD2-CD1 4.29Å; L133-I211 HydrophobicContact CD2-CG1 4.49Å; P207-I211 HydrophobicContact CB-CG2 4.32Å; S208-I211 CarbonylContact O-C 3.52Å; S208-I211 WeakPolarHBondContact O-CA 3.25Å; S208-I211 WeakPolarHBondContact O-CB 3.41Å; S208-I211 PolarHBondContact O-N 3.33Å; S208-I211 WeakPolarHBondContact OG-CG1 3.18Å; S208-I211 PolarHBondContact OG-N 3.07Å; S208-I211 VanDerWaalsContact OG-N 3.13Å; I211-F213 PolarHBondContact O-N 3Å; I211-L214 HydrophobicContact CD1-CD1 4.27Å; I211-L214 PolarHBondContact O-N 3.4Å; I211-Q215 HydrophobicContact CG2-CG 4.45Å; I211-Q215 VanDerWaalsContact CG2-NE2 3.33Å; I211-Q215 WeakPolarHBondContact O-CB 2.95Å; I211-Q215 WeakPolarHBondContact O-CG 3.48Å; I211-Q215 PolarHBondContact O-N 2.69Å; I211-L239 HydrophobicContact CD1-CD2 3.82Å; I211-V338 HydrophobicContact CD1-CG2 4.46Å; I211-V338 HydrophobicContact CG2-CG1 4.25Å; I211-M341 HydrophobicContact CD1-SD 3.57Å; I211-M341 VanDerWaalsContact CD1-SD 3.57Å; I211-M341 HydrophobicContact CG1-SD 4.26Å
212	E	74.7	Confident	69.1	Low	100 Å²	100	53.5 Å²	53.5	47%	0.467	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-41.6	174.7	-64.2	179.2	154.7	0	0	112.5	S208 H209 I210 Q215 K216	S208-E212 PolarHBondContact O-N 3.03Å; H209-E212 IonicContact CE1-OE2 2.93Å; H209-E212 IonicContact CG-OE2 3.19Å; H209-E212 IonicContact ND1-OE2 2.72Å; H209-E212 PolarHBondContact ND1-OE2 3.07Å; H209-E212 WeakPolarHBondContact O-CB 3.47Å; H209-E212 PolarHBondContact O-N 3.12Å; I210-E212 VanDerWaalsContact C-N 3.3Å; I210-E212 PolarHBondContact O-N 3.46Å; E212-Q215 PolarHBondContact O-N 2.9Å; E212-K216 PolarHBondContact O-N 3.39Å
213	F	75.8	Confident	71.1	Confident	22 Å²	22	49.5 Å²	49.5	10%	0.096	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-42.1	174.7	-96.4	-88.4	0	0	0	111.7	H209 I210 I211 Q215 K216 T219 Y270 L273 H277	H209-F213 WeakPolarHBondContact O-CB 2.92Å; H209-F213 VanDerWaalsContact O-CD2 3.28Å; H209-F213 WeakPolarHBondContact O-CD2 3.48Å; H209-F213 PolarHBondContact O-N 3.21Å; I210-F213 WeakPolarHBondContact O-CB 2.96Å; I210-F213 PolarHBondContact O-N 2.75Å; I211-F213 PolarHBondContact O-N 3Å; F213-Q215 PolarHBondContact O-N 3.33Å; F213-K216 HydrophobicContact CD1-CD 4.18Å; F213-K216 VanDerWaalsContact CE1-NZ 3.26Å; F213-K216 WeakPolarHBondContact O-CB 3.35Å; F213-K216 PolarHBondContact O-N 2.98Å; F213-T219 PolarHBondContact O-OG1 3.5Å; F213-Y270 HydrophobicContact CD2-CD2 4.21Å; F213-Y270 AromaticContact CD2-CE2 3.62Å; F213-Y270 HydrophobicContact CD2-CE2 3.62Å; F213-Y270 AromaticContact CE2-CE2 3.8Å; F213-Y270 HydrophobicContact CE2-CE2 3.8Å; F213-Y270 HydrophobicContact CG-CD2 4.44Å; F213-Y270 HydrophobicContact CG-CE2 4.27Å; F213-L273 HydrophobicContact CD1-CB 4.31Å; F213-H277 HydrophobicContact CE1-CB 3.61Å; F213-H277 AromaticContact CE1-CD2 3.97Å; F213-H277 AromaticContact CE1-CG 3.84Å; F213-H277 HydrophobicContact CZ-CB 4.26Å; F213-H277 AromaticContact CZ-CD2 3.83Å
214	L	81.6	Confident	73.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-27.1	175.1	-68.1	178	0	0	0	112.1	I210 I211 T219 M223 L239 L273 M335 V338	I210-L214 HydrophobicContact CG2-CD1 4.1Å; I210-L214 HydrophobicContact CG2-CG 4.3Å; I210-L214 WeakPolarHBondContact O-CB 3.25Å; I210-L214 VanDerWaalsContact O-CG 3.25Å; I210-L214 WeakPolarHBondContact O-CG 3.27Å; I210-L214 PolarHBondContact O-N 3.41Å; I211-L214 HydrophobicContact CD1-CD1 4.27Å; I211-L214 PolarHBondContact O-N 3.4Å; L214-T219 HydrophobicContact CD2-CG2 4.08Å; L214-M223 HydrophobicContact CD2-CE 3.15Å; L214-M223 HydrophobicContact CD2-SD 4.46Å; L214-L239 HydrophobicContact CD1-CD1 4.4Å; L214-L239 HydrophobicContact CD1-CD2 4.45Å; L214-L273 HydrophobicContact CD2-CD1 3.83Å; L214-M335 WeakPolarHBondContact O-CE 3.18Å; L214-V338 HydrophobicContact CB-CG1 4Å; L214-V338 HydrophobicContact CB-CG2 3.84Å; L214-V338 HydrophobicContact CD1-CG2 3.73Å; L214-V338 HydrophobicContact CG-CG2 4.4Å
215	Q	80.6	Confident	75	Confident	66 Å²	66	46.7 Å²	46.7	31%	0.308	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-8.8	177.1	-72.6	173.8	9.5	0	0	114.6	I211 E212 F213 K217 V338	I211-Q215 HydrophobicContact CG2-CG 4.45Å; I211-Q215 VanDerWaalsContact CG2-NE2 3.33Å; I211-Q215 WeakPolarHBondContact O-CB 2.95Å; I211-Q215 WeakPolarHBondContact O-CG 3.48Å; I211-Q215 PolarHBondContact O-N 2.69Å; E212-Q215 PolarHBondContact O-N 2.9Å; F213-Q215 PolarHBondContact O-N 3.33Å; Q215-K217 PolarHBondContact O-N 3.33Å; Q215-V338 HydrophobicContact CG-CG1 3.51Å
216	K	82.3	Confident	77.1	Confident	74 Å²	74	45.2 Å²	45.2	32%	0.322	22%	0.219	S	C	.	.	S	Bend	trans	-64.8	136.1	176.5	-68.6	178.9	176	171.2	0	110.1	E212 F213 V218 T219 P220 H277	E212-K216 PolarHBondContact O-N 3.39Å; F213-K216 HydrophobicContact CD1-CD 4.18Å; F213-K216 VanDerWaalsContact CE1-NZ 3.26Å; F213-K216 WeakPolarHBondContact O-CB 3.35Å; F213-K216 PolarHBondContact O-N 2.98Å; K216-V218 PolarHBondContact O-N 2.99Å; K216-T219 VanDerWaalsContact O-CB 3.31Å; K216-T219 WeakPolarHBondContact O-CB 3.33Å; K216-T219 PolarHBondContact O-N 3.02Å; K216-T219 PolarHBondContact O-OG1 3.07Å; K216-P220 VanDerWaalsContact O-CD 3.27Å; K216-P220 WeakPolarHBondContact O-CD 3.4Å; K216-H277 PolarHBondContact NZ-CE1 2.82Å; K216-H277 PolarHBondContact NZ-ND1 2.85Å
217	K	81.6	Confident	78.8	Confident	173 Å²	173	38.8 Å²	38.8	75%	0.752	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-32.2	-177.9	-68.7	-174.4	177	-176.9	0	114.2	Q215 P220 E316	Q215-K217 PolarHBondContact O-N 3.33Å; K217-P220 WeakPolarHBondContact O-CD 3.36Å; K217-E316 WeakPolarHBondContact CB-OE1 3.4Å
218	V	83.7	Confident	80.5	Confident	42 Å²	42	39.7 Å²	39.7	26%	0.255	19%	0.194	S	C	.	.	H	α-helix	trans	-76.5	-24.8	-179.2	-173.5	0	0	0	0	112.1	K216 C221 L222 V315 E316 L319	K216-V218 PolarHBondContact O-N 2.99Å; V218-C221 WeakPolarHBondContact O-CB 3.29Å; V218-C221 PolarHBondContact O-N 3.44Å; V218-C221 VanDerWaalsContact O-N 3.12Å; V218-L222 HydrophobicContact CG1-CD1 3.95Å; V218-L222 HydrophobicContact CG1-CG 4.09Å; V218-L222 PolarHBondContact O-N 3.37Å; V218-V315 HydrophobicContact CG1-CG1 4Å; V218-E316 HydrophobicContact CG2-CG 4.06Å; V218-L319 HydrophobicContact CG1-CD1 3.44Å; V218-L319 VanDerWaalsContact CG1-CD1 3.44Å
219	T	86.7	Confident	81.6	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-62.3	-47.4	-172.7	-60.5	0	0	0	0	114.1	F213 L214 K216 C221 L222 M223 L273	F213-T219 PolarHBondContact O-OG1 3.5Å; L214-T219 HydrophobicContact CD2-CG2 4.08Å; K216-T219 VanDerWaalsContact O-CB 3.31Å; K216-T219 WeakPolarHBondContact O-CB 3.33Å; K216-T219 PolarHBondContact O-N 3.02Å; K216-T219 PolarHBondContact O-OG1 3.07Å; T219-C221 PolarHBondContact O-N 3.05Å; T219-L222 PolarHBondContact O-N 3.18Å; T219-L222 VanDerWaalsContact O-N 3.13Å; T219-M223 HydrophobicContact CG2-CE 4.06Å; T219-M223 HydrophobicContact CG2-CG 4.28Å; T219-M223 HydrophobicContact CG2-SD 4.17Å; T219-M223 WeakPolarHBondContact O-CG 3.13Å; T219-M223 PolarHBondContact O-N 2.97Å; T219-L273 HydrophobicContact CG2-CD1 3.77Å; T219-L273 HydrophobicContact CG2-CD2 3.81Å; T219-L273 HydrophobicContact CG2-CG 4.47Å
220	P	88	Confident	82.6	Confident	29 Å²	29	48 Å²	48	19%	0.188	23%	0.23	C	C	.	.	H	α-helix	trans	-54.6	-40	173.1	-19.6	24.6	0	0	0	112.3	K216 K217 M223 K224 V331 M335	K216-P220 VanDerWaalsContact O-CD 3.27Å; K216-P220 WeakPolarHBondContact O-CD 3.4Å; K217-P220 WeakPolarHBondContact O-CD 3.36Å; P220-M223 PolarHBondContact O-N 3.32Å; P220-K224 WeakPolarHBondContact O-CG 3.06Å; P220-K224 PolarHBondContact O-N 3.17Å; P220-V331 HydrophobicContact CB-CG1 4.06Å; P220-M335 HydrophobicContact CB-CG 4.21Å; P220-M335 HydrophobicContact CB-SD 4.42Å; P220-M335 HydrophobicContact CG-CE 3.77Å; P220-M335 HydrophobicContact CG-CG 3.93Å; P220-M335 HydrophobicContact CG-SD 3.71Å
221	C	87	Confident	83.3	Confident	25 Å²	25	48 Å²	48	17%	0.169	23%	0.23	C	C	.	.	H	α-helix	trans	-69	-38.1	-179.8	-57.4	0	0	0	0	111.6	V218 T219 K224 H225 L319	V218-C221 WeakPolarHBondContact O-CB 3.29Å; V218-C221 PolarHBondContact O-N 3.44Å; V218-C221 VanDerWaalsContact O-N 3.12Å; T219-C221 PolarHBondContact O-N 3.05Å; C221-K224 PolarHBondContact O-N 2.78Å; C221-H225 PolarHBondContact O-CD2 2.91Å; C221-L319 HydrophobicContact CB-CB 3.72Å; C221-L319 HydrophobicContact CB-CD1 3.78Å; C221-L319 HydrophobicContact CB-CG 4.39Å
222	L	87.9	Confident	83.9	Confident	8 Å²	8	47.9 Å²	47.9	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-67.1	-41.4	173.8	-76	169	0	0	0	112.5	V218 T219 K224 H225 L273 F276 F302 F306 L319	V218-L222 HydrophobicContact CG1-CD1 3.95Å; V218-L222 HydrophobicContact CG1-CG 4.09Å; V218-L222 PolarHBondContact O-N 3.37Å; T219-L222 PolarHBondContact O-N 3.18Å; T219-L222 VanDerWaalsContact O-N 3.13Å; L222-K224 PolarHBondContact O-N 3.25Å; L222-H225 PolarHBondContact O-N 3.33Å; L222-L273 HydrophobicContact CD1-CD2 4.28Å; L222-F276 HydrophobicContact CD1-CB 4.26Å; L222-F276 HydrophobicContact CD1-CD2 4.39Å; L222-F276 HydrophobicContact CD1-CG 4.26Å; L222-F276 HydrophobicContact CD2-CD1 4.18Å; L222-F276 HydrophobicContact CD2-CD2 4.37Å; L222-F276 HydrophobicContact CD2-CE1 4.15Å; L222-F276 HydrophobicContact CD2-CE2 4.35Å; L222-F276 HydrophobicContact CD2-CG 4.3Å; L222-F276 HydrophobicContact CD2-CZ 4.24Å; L222-F302 HydrophobicContact CD2-CZ 4.27Å; L222-F306 HydrophobicContact CD2-CD2 4.27Å; L222-F306 HydrophobicContact CD2-CE2 3.86Å; L222-L319 HydrophobicContact CD2-CD1 3.99Å; L222-L319 HydrophobicContact CD2-CD2 3.79Å; L222-L319 HydrophobicContact CG-CD1 3.9Å; L222-L319 HydrophobicContact CG-CD2 4.49Å
223	M	88.7	Confident	84.3	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-27.5	178.7	-75.3	-176.9	159.5	0	0	112.9	L214 T219 P220 H225 W226 L232 V269 L273 V326 V331 I334	L214-M223 HydrophobicContact CD2-CE 3.15Å; L214-M223 HydrophobicContact CD2-SD 4.46Å; T219-M223 HydrophobicContact CG2-CE 4.06Å; T219-M223 HydrophobicContact CG2-CG 4.28Å; T219-M223 HydrophobicContact CG2-SD 4.17Å; T219-M223 WeakPolarHBondContact O-CG 3.13Å; T219-M223 PolarHBondContact O-N 2.97Å; P220-M223 PolarHBondContact O-N 3.32Å; M223-H225 PolarHBondContact O-N 3.04Å; M223-W226 WeakPolarHBondContact O-CB 3.37Å; M223-W226 PolarHBondContact O-N 3.34Å; M223-L232 HydrophobicContact CB-CD1 3.92Å; M223-L232 HydrophobicContact CE-CD2 3.95Å; M223-L232 HydrophobicContact CG-CD1 4.35Å; M223-L232 HydrophobicContact CG-CD2 4.09Å; M223-L232 VanDerWaalsContact O-CD1 3.22Å; M223-L232 WeakPolarHBondContact O-CD1 3.17Å; M223-L232 HydrophobicContact SD-CD2 4.25Å; M223-V269 HydrophobicContact CE-CG1 3.93Å; M223-L273 HydrophobicContact CE-CD1 4.44Å; M223-V326 WeakPolarHBondContact O-CG2 3.41Å; M223-V331 HydrophobicContact CB-CG1 4.07Å; M223-V331 HydrophobicContact CB-CG2 4Å; M223-I334 HydrophobicContact CE-CG2 4.37Å; M223-I334 HydrophobicContact SD-CD1 4.46Å; M223-I334 HydrophobicContact SD-CG2 4.22Å
224	K	87.7	Confident	84.3	Confident	56 Å²	56	48.7 Å²	48.7	24%	0.243	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.6	174.1	-70.7	178.3	-173.8	-153.1	0	113.4	P220 C221 L222 S324 T325 V326 N328 V331	P220-K224 WeakPolarHBondContact O-CG 3.06Å; P220-K224 PolarHBondContact O-N 3.17Å; C221-K224 PolarHBondContact O-N 2.78Å; L222-K224 PolarHBondContact O-N 3.25Å; K224-S324 CarbonylContact O-C 3.59Å; K224-S324 WeakPolarHBondContact O-CA 3.5Å; K224-T325 PolarHBondContact O-N 3.44Å; K224-T325 PolarHBondContact O-OG1 3.3Å; K224-V326 PolarHBondContact O-N 2.8Å; K224-N328 WeakPolarHBondContact CD-OD1 3.43Å; K224-N328 WeakPolarHBondContact CE-OD1 3.35Å; K224-N328 PolarHBondContact NZ-OD1 2.88Å; K224-V331 HydrophobicContact CG-CG2 4.22Å
225	H	84.7	Confident	84.2	Confident	14 Å²	14	48.7 Å²	48.7	7%	0.065	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	24.1	-178.4	-57.2	-57.6	0	0	0	112.5	C221 L222 M223 F302 L319 Q322 T323 T325	C221-H225 PolarHBondContact O-CD2 2.91Å; L222-H225 PolarHBondContact O-N 3.33Å; M223-H225 PolarHBondContact O-N 3.04Å; H225-F302 HydrophobicContact CB-CE2 3.81Å; H225-F302 HydrophobicContact CB-CZ 3.99Å; H225-F302 AromaticContact CD2-CE2 3.93Å; H225-F302 AromaticContact CG-CE2 3.83Å; H225-L319 PolarHBondContact NE2-O 2.76Å; H225-Q322 WeakPolarHBondContact CE1-CB 3.22Å; H225-Q322 PolarHBondContact CE1-O 3.17Å; H225-Q322 WeakPolarHBondContact NE2-CB 3.5Å; H225-T323 PolarHBondContact CE1-O 2.74Å; H225-T323 PolarHBondContact ND1-O 3.21Å; H225-T323 VanDerWaalsContact ND1-O 3.16Å; H225-T325 VanDerWaalsContact CA-OG1 3.31Å; H225-T325 WeakPolarHBondContact CA-OG1 3.14Å
226	W	88.7	Confident	84.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.			trans	-69.1	136.4	-176.3	-142.4	-106	0	0	0	111.4	M223 E231 L232 V269 K272 L273 F298 T325 V326	M223-W226 WeakPolarHBondContact O-CB 3.37Å; M223-W226 PolarHBondContact O-N 3.34Å; W226-E231 PolarHBondContact NE1-OE2 3.25Å; W226-L232 HydrophobicContact CB-CD1 3.65Å; W226-L232 HydrophobicContact CB-CG 4.2Å; W226-L232 HydrophobicContact CD2-CD2 4.4Å; W226-L232 HydrophobicContact CG-CD1 3.93Å; W226-L232 HydrophobicContact CG-CD2 4.31Å; W226-L232 HydrophobicContact CG-CG 4.01Å; W226-V269 HydrophobicContact CH2-CG1 4.17Å; W226-V269 HydrophobicContact CZ2-CB 4.12Å; W226-V269 HydrophobicContact CZ2-CG1 3.99Å; W226-V269 HydrophobicContact CZ2-CG2 3.86Å; W226-K272 HydrophobicContact CH2-CB 3.47Å; W226-K272 VanDerWaalsContact CH2-CB 3.47Å; W226-K272 HydrophobicContact CH2-CD 4.31Å; W226-K272 HydrophobicContact CH2-CG 4.48Å; W226-K272 HydrophobicContact CZ2-CB 3.43Å; W226-K272 VanDerWaalsContact CZ2-CB 3.43Å; W226-K272 HydrophobicContact CZ2-CD 3.4Å; W226-K272 VanDerWaalsContact CZ2-CD 3.4Å; W226-K272 HydrophobicContact CZ2-CG 4Å; W226-L273 HydrophobicContact CH2-CD2 3.9Å; W226-L273 HydrophobicContact CH2-CG 3.89Å; W226-L273 HydrophobicContact CZ3-CD2 3.84Å; W226-L273 HydrophobicContact CZ3-CG 4.34Å; W226-F298 HydrophobicContact CD2-CZ 4.21Å; W226-F298 HydrophobicContact CE3-CE1 4.39Å; W226-F298 AromaticContact CE3-CZ 3.97Å; W226-F298 HydrophobicContact CE3-CZ 3.97Å; W226-F298 HydrophobicContact CH2-CZ 4.35Å; W226-F298 HydrophobicContact CZ3-CZ 4.05Å; W226-T325 PolarHBondContact N-OG1 3.08Å; W226-T325 PolarHBondContact O-OG1 2.91Å; W226-V326 HydrophobicContact CB-CG2 3.8Å
227	P	85.2	Confident	83.8	Confident	47 Å²	47	47.4 Å²	47.4	31%	0.305	24%	0.238	S	C	.	.	S	Bend	trans	-71.5	-35.7	-176.1	25.3	-32.9	0	0	0	112.3	F296 F298	P227-F296 VanDerWaalsContact CG-O 3.25Å; P227-F296 WeakPolarHBondContact CG-O 3.4Å; P227-F298 VanDerWaalsContact CD-CE1 3.46Å; P227-F298 HydrophobicContact CG-CD2 4.33Å; P227-F298 HydrophobicContact CG-CE1 4.26Å; P227-F298 HydrophobicContact CG-CE2 4.04Å; P227-F298 HydrophobicContact CG-CZ 3.98Å
228	E	85.5	Confident	83.3	Confident	96 Å²	96	40.1 Å²	40.1	45%	0.449	21%	0.206	S	C	.	.			trans	-108.8	97.3	-178.7	-67.3	169.6	-122.5	0	0	109.6	E230 E231 K272	E228-E230 VanDerWaalsContact C-N 3.29Å; E228-E230 PolarHBondContact O-N 2.99Å; E228-E231 HydrophobicContact CB-CB 3.95Å; E228-E231 VanDerWaalsContact O-CB 3.25Å; E228-E231 WeakPolarHBondContact O-CB 3.39Å; E228-E231 PolarHBondContact O-N 2.65Å; E228-K272 IonicContact OE1-NZ 3.49Å; E228-K272 PolarHBondContact OE1-NZ 2.98Å
229	K	82.6	Confident	82.9	Confident	109 Å²	109	38.1 Å²	38.1	47%	0.474	19%	0.194	S	C	.	.	H	α-helix	trans	-65.2	-35.5	-171.8	-53.6	-174.3	-168.4	-163	0	112.2	E231 L232 T325 V326	K229-E231 PolarHBondContact O-N 3.26Å; K229-L232 PolarHBondContact O-N 3.42Å; K229-T325 VanDerWaalsContact CD-O 3.23Å; K229-T325 WeakPolarHBondContact CD-O 3.15Å; K229-T325 WeakPolarHBondContact CE-O 3.21Å; K229-T325 PolarHBondContact NZ-O 3.37Å; K229-V326 HydrophobicContact CB-CG2 4.48Å; K229-V326 HydrophobicContact CG-CG2 4.18Å
230	E	81.9	Confident	82.3	Confident	134 Å²	134	42.1 Å²	42.1	63%	0.626	21%	0.209	S	C	*	.	H	α-helix	trans	-65.4	-29.8	-179.8	-64	69.3	-151	0	0	111.4	E228 L232 S233 L234	E228-E230 VanDerWaalsContact C-N 3.29Å; E228-E230 PolarHBondContact O-N 2.99Å; E230-L232 VanDerWaalsContact C-N 3.32Å; E230-L232 PolarHBondContact O-N 2.65Å; E230-S233 PolarHBondContact O-N 2.98Å; E230-L234 WeakPolarHBondContact O-CG 3.4Å; E230-L234 PolarHBondContact O-N 3.19Å
231	E	82.4	Confident	81.1	Confident	5 Å²	5	41.7 Å²	41.7	2%	0.023	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-42.1	178.6	-168.1	-177.2	-173	0	0	111.2	W226 E228 K229 L234 V235 N265 S268 V269 K272	W226-E231 PolarHBondContact NE1-OE2 3.25Å; E228-E231 HydrophobicContact CB-CB 3.95Å; E228-E231 VanDerWaalsContact O-CB 3.25Å; E228-E231 WeakPolarHBondContact O-CB 3.39Å; E228-E231 PolarHBondContact O-N 2.65Å; K229-E231 PolarHBondContact O-N 3.26Å; E231-L234 PolarHBondContact O-N 3.08Å; E231-V235 VanDerWaalsContact O-CG2 3.26Å; E231-V235 WeakPolarHBondContact O-CG2 3.19Å; E231-V235 PolarHBondContact O-N 3.16Å; E231-N265 HydrophobicContact CG-CB 4.17Å; E231-S268 WeakPolarHBondContact OE1-CB 3.28Å; E231-S268 PolarHBondContact OE1-OG 2.72Å; E231-V269 HydrophobicContact CG-CG2 3.86Å; E231-V269 WeakPolarHBondContact OE1-CG2 3.47Å; E231-V269 PolarHBondContact OE1-N 2.84Å; E231-K272 IonicContact OE1-NZ 3.14Å; E231-K272 IonicContact OE2-NZ 2.7Å; E231-K272 PolarHBondContact OE2-NZ 3.29Å
232	L	85.8	Confident	80	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-71.2	-36	179.1	-68.4	-178.2	0	0	0	112.8	M223 W226 K229 E230 L234 V235 L236 V269 V326 V330 I334	M223-L232 HydrophobicContact CB-CD1 3.92Å; M223-L232 HydrophobicContact CE-CD2 3.95Å; M223-L232 HydrophobicContact CG-CD1 4.35Å; M223-L232 HydrophobicContact CG-CD2 4.09Å; M223-L232 VanDerWaalsContact O-CD1 3.22Å; M223-L232 WeakPolarHBondContact O-CD1 3.17Å; M223-L232 HydrophobicContact SD-CD2 4.25Å; W226-L232 HydrophobicContact CB-CD1 3.65Å; W226-L232 HydrophobicContact CB-CG 4.2Å; W226-L232 HydrophobicContact CD2-CD2 4.4Å; W226-L232 HydrophobicContact CG-CD1 3.93Å; W226-L232 HydrophobicContact CG-CD2 4.31Å; W226-L232 HydrophobicContact CG-CG 4.01Å; K229-L232 PolarHBondContact O-N 3.42Å; E230-L232 VanDerWaalsContact C-N 3.32Å; E230-L232 PolarHBondContact O-N 2.65Å; L232-L234 VanDerWaalsContact C-N 3.27Å; L232-L234 PolarHBondContact O-N 3.25Å; L232-V235 WeakPolarHBondContact O-CB 3.49Å; L232-V235 PolarHBondContact O-N 2.9Å; L232-L236 PolarHBondContact O-N 3.5Å; L232-V269 HydrophobicContact CD2-CG2 4.18Å; L232-V326 HydrophobicContact CD1-CB 4.37Å; L232-V326 HydrophobicContact CD1-CG1 3.88Å; L232-V326 HydrophobicContact CD1-CG2 3.96Å; L232-V330 HydrophobicContact CB-CG1 4.26Å; L232-I334 HydrophobicContact CB-CD1 4.1Å; L232-I334 HydrophobicContact CD2-CD1 4.3Å
233	S	81.2	Confident	78.9	Confident	61 Å²	61	45.8 Å²	45.8	43%	0.427	22%	0.219	S	C	.	.	H	α-helix	trans	-61.8	-38.3	172.5	-64.3	0	0	0	0	111.6	E230 L236 H237	E230-S233 PolarHBondContact O-N 2.98Å; S233-L236 PolarHBondContact O-N 3.05Å; S233-H237 PolarHBondContact O-N 3.43Å; S233-H237 VanDerWaalsContact O-N 3.16Å
234	L	76.3	Confident	77.5	Confident	79 Å²	79	52.2 Å²	52.2	41%	0.414	25%	0.249	S	C	.	.	H	α-helix	trans	-70	-37.9	175.5	-67.5	168.6	0	0	0	112	E230 E231 L232 L236 H237 E238 N265	E230-L234 WeakPolarHBondContact O-CG 3.4Å; E230-L234 PolarHBondContact O-N 3.19Å; E231-L234 PolarHBondContact O-N 3.08Å; L232-L234 VanDerWaalsContact C-N 3.27Å; L232-L234 PolarHBondContact O-N 3.25Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-L236 PolarHBondContact O-N 3.37Å; L234-H237 WeakPolarHBondContact O-CB 2.92Å; L234-H237 PolarHBondContact O-N 2.88Å; L234-E238 WeakPolarHBondContact O-CG 3.22Å; L234-E238 PolarHBondContact O-N 2.68Å; L234-N265 HydrophobicContact CB-CB 4.04Å; L234-N265 WeakPolarHBondContact CB-ND2 2.7Å
235	V	79.9	Confident	75.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.5	-44.2	172.6	164.4	0	0	0	0	111.4	E231 L232 H237 E238 L239 N265 L266 V269 I334	E231-V235 VanDerWaalsContact O-CG2 3.26Å; E231-V235 WeakPolarHBondContact O-CG2 3.19Å; E231-V235 PolarHBondContact O-N 3.16Å; L232-V235 WeakPolarHBondContact O-CB 3.49Å; L232-V235 PolarHBondContact O-N 2.9Å; V235-H237 VanDerWaalsContact C-N 3.31Å; V235-H237 PolarHBondContact O-N 3.47Å; V235-E238 PolarHBondContact O-N 2.95Å; V235-L239 HydrophobicContact CG1-CD1 3.99Å; V235-L239 HydrophobicContact CG1-CG 4.42Å; V235-L239 WeakPolarHBondContact O-CG 3.34Å; V235-L239 PolarHBondContact O-N 2.85Å; V235-N265 HydrophobicContact CG2-CB 4.18Å; V235-L266 HydrophobicContact CB-CD2 4.39Å; V235-L266 HydrophobicContact CG1-CD2 3.68Å; V235-L266 HydrophobicContact CG1-CG 4.46Å; V235-L266 HydrophobicContact CG2-CD2 4.22Å; V235-L266 HydrophobicContact CG2-CG 4.37Å; V235-V269 HydrophobicContact CG2-CB 4.24Å; V235-V269 HydrophobicContact CG2-CG2 3.64Å; V235-I334 HydrophobicContact CG1-CD1 4.26Å
236	L	81.9	Confident	74.2	Confident	17 Å²	17	55.5 Å²	55.5	9%	0.089	28%	0.278	C	S	.	.	H	α-helix	trans	-59.5	-43.5	175.2	178.6	58	0	0	0	111.7	L232 S233 L234 L239 R240 E333 I334 E337	L232-L236 PolarHBondContact O-N 3.5Å; S233-L236 PolarHBondContact O-N 3.05Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-L236 PolarHBondContact O-N 3.37Å; L236-L239 PolarHBondContact O-N 2.86Å; L236-R240 HydrophobicContact CD1-CG 4.34Å; L236-R240 WeakPolarHBondContact O-CG 3.41Å; L236-R240 PolarHBondContact O-N 3.07Å; L236-E333 HydrophobicContact CD1-CB 4Å; L236-E333 HydrophobicContact CD2-CB 3.85Å; L236-I334 HydrophobicContact CB-CD1 4.46Å; L236-I334 HydrophobicContact CB-CG1 3.81Å; L236-I334 HydrophobicContact CD1-CG1 4.09Å; L236-I334 HydrophobicContact CG-CG1 4.45Å; L236-E337 HydrophobicContact CD1-CG 3.85Å
237	H	73.3	Confident	72.3	Confident	96 Å²	96	56.3 Å²	56.3	44%	0.444	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-42.1	175.7	-175.8	73.2	0	0	0	112.1	S233 L234 V235 S241 R261	S233-H237 PolarHBondContact O-N 3.43Å; S233-H237 VanDerWaalsContact O-N 3.16Å; L234-H237 WeakPolarHBondContact O-CB 2.92Å; L234-H237 PolarHBondContact O-N 2.88Å; V235-H237 VanDerWaalsContact C-N 3.31Å; V235-H237 PolarHBondContact O-N 3.47Å; H237-S241 VanDerWaalsContact O-CB 3.27Å; H237-S241 WeakPolarHBondContact O-CB 3.31Å; H237-S241 PolarHBondContact O-N 2.62Å; H237-R261 PolarHBondContact NE2-NH1 3.41Å
238	E	70.6	Confident	70.3	Confident	19 Å²	19	55.8 Å²	55.8	9%	0.089	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-43.9	176.7	-73.4	177.9	-154.5	0	0	111.7	L234 V235 S241 F242 N265 L266	L234-E238 WeakPolarHBondContact O-CG 3.22Å; L234-E238 PolarHBondContact O-N 2.68Å; V235-E238 PolarHBondContact O-N 2.95Å; E238-S241 PolarHBondContact O-N 2.88Å; E238-F242 WeakPolarHBondContact O-CB 3.28Å; E238-F242 PolarHBondContact O-N 3.23Å; E238-N265 PolarHBondContact OE1-ND2 2.73Å; E238-L266 HydrophobicContact CB-CD1 3.64Å; E238-L266 HydrophobicContact CB-CG 4.1Å; E238-L266 HydrophobicContact CG-CD1 4.49Å; E238-L266 VanDerWaalsContact OE2-CB 3.27Å; E238-L266 WeakPolarHBondContact OE2-CB 3.45Å; E238-L266 WeakPolarHBondContact OE2-CD1 3.26Å; E238-L266 WeakPolarHBondContact OE2-CG 3.38Å; E238-L266 PolarHBondContact OE2-N 2.81Å
239	L	75.3	Confident	68.2	Low	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-44.4	177.2	-71.5	170.6	0	0	0	112.3	I211 L214 V235 L236 F242 R243 L266 I334 E337 V338 M341	I211-L239 HydrophobicContact CD1-CD2 3.82Å; L214-L239 HydrophobicContact CD1-CD1 4.4Å; L214-L239 HydrophobicContact CD1-CD2 4.45Å; V235-L239 HydrophobicContact CG1-CD1 3.99Å; V235-L239 HydrophobicContact CG1-CG 4.42Å; V235-L239 WeakPolarHBondContact O-CG 3.34Å; V235-L239 PolarHBondContact O-N 2.85Å; L236-L239 PolarHBondContact O-N 2.86Å; L239-F242 PolarHBondContact O-N 3.05Å; L239-R243 PolarHBondContact O-N 2.76Å; L239-L266 HydrophobicContact CD2-CD2 4.42Å; L239-L266 HydrophobicContact CG-CD2 4.49Å; L239-I334 HydrophobicContact CD1-CG2 3.85Å; L239-E337 HydrophobicContact CB-CB 4.25Å; L239-V338 HydrophobicContact CD1-CG2 3.96Å; L239-M341 HydrophobicContact CB-CE 3.99Å; L239-M341 HydrophobicContact CD2-CE 3.86Å; L239-M341 HydrophobicContact CD2-SD 4.1Å; L239-M341 WeakPolarHBondContact O-CE 3.42Å
240	R	73.4	Confident	66.2	Low	89 Å²	89	48.2 Å²	48.2	34%	0.336	25%	0.249	S	C	.	.	H	α-helix	trans	-62.4	-46.4	176	-74.1	176.7	176.2	173	-0.7	111.1	L236 F242 R243 E244 E333 E337	L236-R240 HydrophobicContact CD1-CG 4.34Å; L236-R240 WeakPolarHBondContact O-CG 3.41Å; L236-R240 PolarHBondContact O-N 3.07Å; R240-F242 VanDerWaalsContact C-N 3.33Å; R240-F242 PolarHBondContact O-N 3.32Å; R240-R243 PolarHBondContact O-N 3.35Å; R240-E244 WeakPolarHBondContact O-CB 3.41Å; R240-E244 VanDerWaalsContact O-CG 3.29Å; R240-E244 WeakPolarHBondContact O-CG 3.43Å; R240-E244 PolarHBondContact O-N 2.78Å; R240-E333 IonicContact CZ-OE2 3.91Å; R240-E333 IonicContact NH2-OE2 3.18Å; R240-E333 PolarHBondContact NH2-OE2 3.29Å; R240-E337 HydrophobicContact CG-CG 3.97Å
241	S	62.3	Low	64	Low	20 Å²	20	46.2 Å²	46.2	14%	0.14	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-44.3	176.1	-172.2	0	0	0	0	111.2	H237 E238 R243 E244 N245	H237-S241 VanDerWaalsContact O-CB 3.27Å; H237-S241 WeakPolarHBondContact O-CB 3.31Å; H237-S241 PolarHBondContact O-N 2.62Å; E238-S241 PolarHBondContact O-N 2.88Å; S241-R243 PolarHBondContact O-N 3.16Å; S241-E244 PolarHBondContact O-N 2.89Å; S241-N245 WeakPolarHBondContact O-CB 3.28Å; S241-N245 PolarHBondContact O-N 3.43Å; S241-N245 VanDerWaalsContact O-N 3.16Å; S241-N245 PolarHBondContact O-ND2 2.63Å
242	F	64.2	Low	61.8	Low	33 Å²	33	51 Å²	51	15%	0.145	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-45.2	177.7	-177.4	-102.1	0	0	0	111.6	L133 E238 L239 R240 N245 G247 Y249 M341	L133-F242 HydrophobicContact CD1-CB 4.43Å; L133-F242 HydrophobicContact CD1-CD1 4.09Å; L133-F242 HydrophobicContact CD1-CD2 3.74Å; L133-F242 HydrophobicContact CD1-CE1 4.24Å; L133-F242 HydrophobicContact CD1-CE2 3.89Å; L133-F242 HydrophobicContact CD1-CG 3.83Å; L133-F242 HydrophobicContact CD1-CZ 4.15Å; E238-F242 WeakPolarHBondContact O-CB 3.28Å; E238-F242 PolarHBondContact O-N 3.23Å; L239-F242 PolarHBondContact O-N 3.05Å; R240-F242 VanDerWaalsContact C-N 3.33Å; R240-F242 PolarHBondContact O-N 3.32Å; F242-N245 CarbonylContact O-C 3.23Å; F242-N245 PolarHBondContact O-N 2.99Å; F242-G247 VanDerWaalsContact CE1-CA 3.49Å; F242-G247 WeakPolarHBondContact CE2-O 3.3Å; F242-G247 VanDerWaalsContact CZ-C 3.47Å; F242-G247 VanDerWaalsContact CZ-CA 3.45Å; F242-G247 WeakPolarHBondContact CZ-O 3.33Å; F242-G247 VanDerWaalsContact O-CA 3.31Å; F242-G247 WeakPolarHBondContact O-CA 2.87Å; F242-G247 PolarHBondContact O-N 3.27Å; F242-Y249 AromaticContact CD2-CD2 3.85Å; F242-Y249 HydrophobicContact CD2-CD2 3.85Å; F242-Y249 AromaticContact CD2-CE2 3.87Å; F242-Y249 HydrophobicContact CD2-CE2 3.87Å; F242-Y249 HydrophobicContact CD2-CG 4.46Å; F242-Y249 HydrophobicContact CE2-CD2 4.06Å; F242-Y249 HydrophobicContact CE2-CE2 4.04Å; F242-M341 HydrophobicContact CD1-CE 3.99Å; F242-M341 HydrophobicContact CD1-SD 4.2Å
243	R	66.1	Low	59.2	Low	87 Å²	87	52.5 Å²	52.5	33%	0.328	27%	0.273	S	S	.	.	H	α-helix	trans	-66	-47.5	177.8	-171.6	-166.8	67.8	-159.6	-10.9	112.8	L239 R240 S241 N245 S246 E337 M341	L239-R243 PolarHBondContact O-N 2.76Å; R240-R243 PolarHBondContact O-N 3.35Å; S241-R243 PolarHBondContact O-N 3.16Å; R243-N245 PolarHBondContact O-N 3.24Å; R243-S246 PolarHBondContact O-N 2.88Å; R243-E337 IonicContact CZ-OE1 2.57Å; R243-E337 IonicContact CZ-OE2 2.99Å; R243-E337 IonicContact NE-OE2 3.93Å; R243-E337 IonicContact NH1-OE1 2.81Å; R243-E337 PolarHBondContact NH1-OE1 3.29Å; R243-E337 IonicContact NH1-OE2 2.76Å; R243-E337 PolarHBondContact NH1-OE2 3.17Å; R243-E337 IonicContact NH2-OE1 3.88Å; R243-E337 IonicContact NH2-OE2 2.84Å; R243-E337 PolarHBondContact NH2-OE2 2.67Å; R243-M341 HydrophobicContact CB-CE 4.13Å
244	E	59.1	Low	57.1	Low	134 Å²	134	54.7 Å²	54.7	63%	0.626	27%	0.274	S	S	*	.	H	α-helix	trans	-56.8	-31.3	179.3	-76.4	168.1	-171.2	0	0	111.8	R240 S241 S246	R240-E244 WeakPolarHBondContact O-CB 3.41Å; R240-E244 VanDerWaalsContact O-CG 3.29Å; R240-E244 WeakPolarHBondContact O-CG 3.43Å; R240-E244 PolarHBondContact O-N 2.78Å; S241-E244 PolarHBondContact O-N 2.89Å; E244-S246 VanDerWaalsContact C-N 3.27Å; E244-S246 PolarHBondContact O-N 2.87Å
245	N	50.2	Low	55.1	Low	28 Å²	28	52.5 Å²	52.5	15%	0.15	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	22.8	176.2	-70.4	-59.9	0	0	0	113.2	S241 F242 R243 G247 C248 E251	S241-N245 WeakPolarHBondContact O-CB 3.28Å; S241-N245 PolarHBondContact O-N 3.43Å; S241-N245 VanDerWaalsContact O-N 3.16Å; S241-N245 PolarHBondContact O-ND2 2.63Å; F242-N245 CarbonylContact O-C 3.23Å; F242-N245 PolarHBondContact O-N 2.99Å; R243-N245 PolarHBondContact O-N 3.24Å; N245-G247 VanDerWaalsContact C-N 3.31Å; N245-G247 PolarHBondContact O-N 2.84Å; N245-C248 HydrophobicContact CB-CB 4.34Å; N245-C248 WeakPolarHBondContact CB-O 3.22Å; N245-C248 VanDerWaalsContact O-CB 3.25Å; N245-C248 WeakPolarHBondContact O-CB 3.46Å; N245-C248 PolarHBondContact O-N 3.39Å; N245-E251 WeakPolarHBondContact OD1-CA 3.48Å; N245-E251 WeakPolarHBondContact OD1-CG 3.36Å; N245-E251 PolarHBondContact OD1-N 3.38Å
246	S	51.6	Low	52.8	Low	111 Å²	111	53.3 Å²	53.3	78%	0.776	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	43.1	178.7	-55.9	0	0	0	0	113.5	R243 E244 C248	R243-S246 PolarHBondContact O-N 2.88Å; E244-S246 VanDerWaalsContact C-N 3.27Å; E244-S246 PolarHBondContact O-N 2.87Å; S246-C248 VanDerWaalsContact C-N 3.3Å; S246-C248 PolarHBondContact O-N 2.75Å
247	G	49.1	Very low	50.6	Low	17 Å²	17	55.3 Å²	55.3	18%	0.175	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	19.3	-177.8	0	0	0	0	0	113.9	W127 F242 N245	W127-G247 WeakPolarHBondContact CH2-O 3.45Å; F242-G247 VanDerWaalsContact CE1-CA 3.49Å; F242-G247 WeakPolarHBondContact CE2-O 3.3Å; F242-G247 VanDerWaalsContact CZ-C 3.47Å; F242-G247 VanDerWaalsContact CZ-CA 3.45Å; F242-G247 WeakPolarHBondContact CZ-O 3.33Å; F242-G247 VanDerWaalsContact O-CA 3.31Å; F242-G247 WeakPolarHBondContact O-CA 2.87Å; F242-G247 PolarHBondContact O-N 3.27Å; N245-G247 VanDerWaalsContact C-N 3.31Å; N245-G247 PolarHBondContact O-N 2.84Å
248	C	44.3	Very low	48.5	Very low	36 Å²	36	51.9 Å²	51.9	24%	0.243	27%	0.269	C	S	.	.			trans	-109.5	148.7	171.4	-62.3	0	0	0	0	109.1	N245 S246 H250	N245-C248 HydrophobicContact CB-CB 4.34Å; N245-C248 WeakPolarHBondContact CB-O 3.22Å; N245-C248 VanDerWaalsContact O-CB 3.25Å; N245-C248 WeakPolarHBondContact O-CB 3.46Å; N245-C248 PolarHBondContact O-N 3.39Å; S246-C248 VanDerWaalsContact C-N 3.3Å; S246-C248 PolarHBondContact O-N 2.75Å; C248-H250 PolarHBondContact O-N 3.31Å
249	Y	41.6	Very low	46.7	Very low	20 Å²	20	57 Å²	57	8%	0.078	30%	0.296	C	S	.	.	S	Bend	trans	-70.6	-13.6	175.8	-90.6	-92.9	0	0	0	113.7	C131 L133 F242 C263	C131-Y249 HydrophobicContact CB-CD2 4.18Å; C131-Y249 HydrophobicContact CB-CE2 4.22Å; C131-Y249 WeakPolarHBondContact SG-CD2 3.46Å; C131-Y249 WeakPolarHBondContact SG-CE2 3.31Å; L133-Y249 HydrophobicContact CB-CE2 4.18Å; L133-Y249 HydrophobicContact CD1-CE2 3.89Å; L133-Y249 WeakPolarHBondContact CD1-OH 3.5Å; L133-Y249 HydrophobicContact CG-CE2 4.23Å; L133-Y249 WeakPolarHBondContact CG-OH 3.2Å; L133-Y249 PolarHBondContact N-OH 3.28Å; F242-Y249 AromaticContact CD2-CD2 3.85Å; F242-Y249 HydrophobicContact CD2-CD2 3.85Å; F242-Y249 AromaticContact CD2-CE2 3.87Å; F242-Y249 HydrophobicContact CD2-CE2 3.87Å; F242-Y249 HydrophobicContact CD2-CG 4.46Å; F242-Y249 HydrophobicContact CE2-CD2 4.06Å; F242-Y249 HydrophobicContact CE2-CE2 4.04Å; Y249-C263 WeakPolarHBondContact CD1-SG 3.16Å; Y249-C263 HydrophobicContact CE1-CB 4.21Å; Y249-C263 WeakPolarHBondContact CE1-SG 2.96Å
250	H	39.1	Very low	44.9	Very low	26 Å²	26	60.9 Å²	60.9	12%	0.12	32%	0.321	C	S	.	.	S	Bend	trans	-144.1	141.6	-171.9	-56.7	-62.2	0	0	0	111.5	C248 F255	C248-H250 PolarHBondContact O-N 3.31Å; H250-F255 HydrophobicContact CB-CB 4.36Å; H250-F255 HydrophobicContact CB-CD2 4.08Å; H250-F255 AromaticContact CD2-CD2 3.64Å
251	E	36.4	Very low	43.3	Very low	93 Å²	93	63.5 Å²	63.5	44%	0.435	33%	0.331	S	S	.	.			trans	-55.5	140.8	155.7	-68.6	-179.6	132.8	0	0	107.4	N245 S253 K254 F255	N245-E251 WeakPolarHBondContact OD1-CA 3.48Å; N245-E251 WeakPolarHBondContact OD1-CG 3.36Å; N245-E251 PolarHBondContact OD1-N 3.38Å; E251-S253 PolarHBondContact O-N 3.06Å; E251-K254 PolarHBondContact O-N 3.34Å; E251-K254 IonicContact OE2-NZ 3.85Å; E251-K254 PolarHBondContact OE2-NZ 2.81Å; E251-F255 PolarHBondContact O-N 3.19Å
252	H	35.5	Very low	42.3	Very low	106 Å²	106	70.8 Å²	70.8	49%	0.491	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.4	-29.5	178.8	-85.8	81	0	0	0	112.9	K123	K123-H252 PolarHBondContact NZ-NE2 3.28Å
253	S	32.4	Very low	41.6	Very low	31 Å²	31	69.9 Å²	69.9	22%	0.217	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-39.3	178.2	55.4	0	0	0	0	115.5	N106 E251 F255	N106-S253 VanDerWaalsContact ND2-CA 3.26Å; N106-S253 WeakPolarHBondContact ND2-CA 3.48Å; N106-S253 WeakPolarHBondContact ND2-CB 3.47Å; E251-S253 PolarHBondContact O-N 3.06Å; S253-F255 VanDerWaalsContact C-N 3.27Å; S253-F255 PolarHBondContact O-N 3.01Å
254	K	36	Very low	40.7	Very low	106 Å²	106	71.5 Å²	71.5	46%	0.461	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-74.3	-20.7	-177.3	-73.1	175.1	177.2	130	0	112.5	E251 L256 T257	E251-K254 PolarHBondContact O-N 3.34Å; E251-K254 IonicContact OE2-NZ 3.85Å; E251-K254 PolarHBondContact OE2-NZ 2.81Å; K254-L256 VanDerWaalsContact C-N 3.29Å; K254-L256 PolarHBondContact O-N 3.16Å; K254-T257 PolarHBondContact O-N 3.23Å; K254-T257 PolarHBondContact O-OG1 3.1Å
255	F	35.3	Very low	41	Very low	33 Å²	33	66.8 Å²	66.8	15%	0.145	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-62.3	-36.2	177.4	-154.8	-81.9	0	0	0	112.5	K123 L126 H250 E251 S253 T257 G258	K123-F255 HydrophobicContact CG-CE2 4.43Å; K123-F255 HydrophobicContact CG-CZ 4.28Å; L126-F255 HydrophobicContact CB-CE2 4.13Å; L126-F255 HydrophobicContact CB-CZ 3.67Å; L126-F255 HydrophobicContact CD1-CE2 4.03Å; L126-F255 HydrophobicContact CD1-CZ 3.91Å; L126-F255 HydrophobicContact CD2-CE2 3.84Å; L126-F255 HydrophobicContact CD2-CZ 4.26Å; L126-F255 HydrophobicContact CG-CE2 4.2Å; L126-F255 HydrophobicContact CG-CZ 4.14Å; H250-F255 HydrophobicContact CB-CB 4.36Å; H250-F255 HydrophobicContact CB-CD2 4.08Å; H250-F255 AromaticContact CD2-CD2 3.64Å; E251-F255 PolarHBondContact O-N 3.19Å; S253-F255 VanDerWaalsContact C-N 3.27Å; S253-F255 PolarHBondContact O-N 3.01Å; F255-T257 PolarHBondContact O-N 2.92Å; F255-G258 PolarHBondContact O-N 3.23Å
256	L	31.8	Very low	41.8	Very low	18 Å²	18	65.5 Å²	65.5	9%	0.094	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-77.9	4.7	177.1	-51.5	149.3	0	0	0	112.9	S52 L54 N106 K254	S52-L256 WeakPolarHBondContact CB-O 3.45Å; S52-L256 CarbonylContact O-C 3.5Å; L54-L256 HydrophobicContact CD1-CB 4.13Å; L54-L256 HydrophobicContact CD1-CD2 3.67Å; L54-L256 HydrophobicContact CD1-CG 4.45Å; L54-L256 HydrophobicContact CD2-CB 4.02Å; L54-L256 HydrophobicContact CD2-CD2 3.12Å; L54-L256 HydrophobicContact CD2-CG 3.87Å; L54-L256 HydrophobicContact CG-CB 4.17Å; L54-L256 HydrophobicContact CG-CD2 3.9Å; N106-L256 HydrophobicContact CB-CD1 4.04Å; N106-L256 WeakPolarHBondContact OD1-CD1 3.45Å; K254-L256 VanDerWaalsContact C-N 3.29Å; K254-L256 PolarHBondContact O-N 3.16Å
257	T	34.2	Very low	42.5	Very low	59 Å²	59	62 Å²	62	36%	0.362	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-101	-7.1	172.8	68	0	0	0	0	112.5	S52 K254 F255 I259	S52-T257 CarbonylContact O-C 3.54Å; K254-T257 PolarHBondContact O-N 3.23Å; K254-T257 PolarHBondContact O-OG1 3.1Å; F255-T257 PolarHBondContact O-N 2.92Å; T257-I259 PolarHBondContact O-N 3.32Å
258	G	30.7	Very low	43.7	Very low	24 Å²	24	63 Å²	63	25%	0.247	32%	0.315	C	S	.	.			trans	68.7	8.1	165.5	0	0	0	0	0	115.3	S52 F255 P260	S52-G258 WeakPolarHBondContact O-CA 3.48Å; S52-G258 PolarHBondContact O-N 3.4Å; F255-G258 PolarHBondContact O-N 3.23Å; G258-P260 VanDerWaalsContact C-CD 3.46Å; G258-P260 WeakPolarHBondContact O-CD 3.48Å
259	I	32.6	Very low	45.3	Very low	126 Å²	126	61.3 Å²	61.3	65%	0.646	30%	0.304	S	S	*	.			trans	-97.6	91.7	175.4	-57.1	170.8	0	0	0	106.4	T257 R261	T257-I259 PolarHBondContact O-N 3.32Å; I259-R261 PolarHBondContact O-N 3.26Å
260	P	36.9	Very low	47.1	Very low	81 Å²	81	62.9 Å²	62.9	53%	0.526	31%	0.31	S	S	.	.			trans	-58.1	116.1	162.5	24.7	-30.5	0	0	0	106.1	G258 K262	G258-P260 VanDerWaalsContact C-CD 3.46Å; G258-P260 WeakPolarHBondContact O-CD 3.48Å; P260-K262 PolarHBondContact O-N 2.8Å
261	R	39.2	Very low	48.9	Very low	145 Å²	145	67.3 Å²	67.3	55%	0.547	33%	0.329	S	S	.	.			trans	-50.2	135.2	161.3	-86.9	-175	169.8	-179.9	-3.4	106	H237 I259 C263	H237-R261 PolarHBondContact NE2-NH1 3.41Å; I259-R261 PolarHBondContact O-N 3.26Å; R261-C263 VanDerWaalsContact C-N 3.28Å; R261-C263 PolarHBondContact O-N 2.96Å; R261-C263 PolarHBondContact O-SG 2.85Å
262	K	41.8	Very low	51.3	Low	172 Å²	172	63 Å²	63	75%	0.748	31%	0.309	S	S	*	.			trans	-47.6	86.9	179.3	-74.2	179.3	177	-179.3	0	110.8	P260 F264	P260-K262 PolarHBondContact O-N 2.8Å; K262-F264 HydrophobicContact CB-CD2 3.86Å; K262-F264 HydrophobicContact CB-CE2 4.4Å; K262-F264 HydrophobicContact CG-CD2 4.22Å; K262-F264 HydrophobicContact CG-CE2 4.4Å; K262-F264 PolarHBondContact O-N 3.32Å
263	C	50.2	Low	53.7	Low	14 Å²	14	58.2 Å²	58.2	10%	0.095	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	28.6	179.7	-65.1	0	0	0	0	111.4	Y249 R261	Y249-C263 WeakPolarHBondContact CD1-SG 3.16Å; Y249-C263 HydrophobicContact CE1-CB 4.21Å; Y249-C263 WeakPolarHBondContact CE1-SG 2.96Å; R261-C263 VanDerWaalsContact C-N 3.28Å; R261-C263 PolarHBondContact O-N 2.96Å; R261-C263 PolarHBondContact O-SG 2.85Å
264	F	47.7	Very low	56	Low	122 Å²	122	57.1 Å²	57.1	54%	0.535	28%	0.279	S	S	.	.	H	α-helix	trans	-81.4	-17.3	-170.3	-67.7	-87	0	0	0	112.2	K262 S268	K262-F264 HydrophobicContact CB-CD2 3.86Å; K262-F264 HydrophobicContact CB-CE2 4.4Å; K262-F264 HydrophobicContact CG-CD2 4.22Å; K262-F264 HydrophobicContact CG-CE2 4.4Å; K262-F264 PolarHBondContact O-N 3.32Å; F264-S268 WeakPolarHBondContact O-CB 3.11Å; F264-S268 PolarHBondContact O-N 3.38Å
265	N	64.3	Low	58.4	Low	34 Å²	34	52.7 Å²	52.7	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-82.8	-42.4	-171.7	-49.9	-65.9	0	0	0	112.5	E231 L234 V235 E238 E267 S268 V269	E231-N265 HydrophobicContact CG-CB 4.17Å; L234-N265 HydrophobicContact CB-CB 4.04Å; L234-N265 WeakPolarHBondContact CB-ND2 2.7Å; V235-N265 HydrophobicContact CG2-CB 4.18Å; E238-N265 PolarHBondContact OE1-ND2 2.73Å; N265-E267 VanDerWaalsContact C-N 3.32Å; N265-E267 PolarHBondContact O-N 3.02Å; N265-S268 PolarHBondContact O-N 2.79Å; N265-V269 WeakPolarHBondContact O-CG2 2.91Å; N265-V269 PolarHBondContact O-N 3.26Å
266	L	67.9	Low	60.7	Low	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-38.8	175.7	-86.3	170.6	0	0	0	113	L133 I210 V235 E238 L239 V269 Y270	L133-L266 HydrophobicContact CD1-CD1 4.08Å; L133-L266 HydrophobicContact CD2-CD1 3.97Å; L133-L266 HydrophobicContact CD2-CD2 4.35Å; L133-L266 HydrophobicContact CG-CD1 3.94Å; I210-L266 HydrophobicContact CG2-CD2 4.41Å; V235-L266 HydrophobicContact CB-CD2 4.39Å; V235-L266 HydrophobicContact CG1-CD2 3.68Å; V235-L266 HydrophobicContact CG1-CG 4.46Å; V235-L266 HydrophobicContact CG2-CD2 4.22Å; V235-L266 HydrophobicContact CG2-CG 4.37Å; E238-L266 HydrophobicContact CB-CD1 3.64Å; E238-L266 HydrophobicContact CB-CG 4.1Å; E238-L266 HydrophobicContact CG-CD1 4.49Å; E238-L266 VanDerWaalsContact OE2-CB 3.27Å; E238-L266 WeakPolarHBondContact OE2-CB 3.45Å; E238-L266 WeakPolarHBondContact OE2-CD1 3.26Å; E238-L266 WeakPolarHBondContact OE2-CG 3.38Å; E238-L266 PolarHBondContact OE2-N 2.81Å; L239-L266 HydrophobicContact CD2-CD2 4.42Å; L239-L266 HydrophobicContact CG-CD2 4.49Å; L266-V269 PolarHBondContact O-N 2.87Å; L266-Y270 WeakPolarHBondContact O-CB 3.28Å; L266-Y270 PolarHBondContact O-N 3.16Å
267	E	65.3	Low	63	Low	37 Å²	37	53.5 Å²	53.5	17%	0.173	27%	0.265	C	S	.	.	H	α-helix	trans	-69.6	-41.9	176.1	-177.4	-178.3	-168.8	0	0	112	R132 R135 N265 V269 Y270 K271	R132-E267 HydrophobicContact CB-CB 4.31Å; R132-E267 WeakPolarHBondContact CD-OE2 3.36Å; R132-E267 IonicContact CZ-OE2 2.75Å; R132-E267 IonicContact NE-OE2 2.79Å; R132-E267 PolarHBondContact NE-OE2 2.88Å; R132-E267 IonicContact NH1-OE2 2.7Å; R132-E267 PolarHBondContact NH1-OE2 3.48Å; R132-E267 IonicContact NH2-OE2 3.42Å; R135-E267 IonicContact CZ-OE1 2.91Å; R135-E267 IonicContact NH1-OE1 3.42Å; R135-E267 PolarHBondContact NH1-OE1 3.41Å; R135-E267 IonicContact NH2-OE1 3.83Å; R135-E267 PolarHBondContact NH2-OE1 3.3Å; R135-E267 IonicContact NH2-OE2 3.37Å; N265-E267 VanDerWaalsContact C-N 3.32Å; N265-E267 PolarHBondContact O-N 3.02Å; E267-V269 VanDerWaalsContact C-N 3.27Å; E267-V269 PolarHBondContact O-N 3.44Å; E267-Y270 PolarHBondContact O-N 3.28Å; E267-K271 VanDerWaalsContact O-CB 3.31Å; E267-K271 WeakPolarHBondContact O-CB 3.46Å; E267-K271 PolarHBondContact O-N 2.76Å
268	S	73.9	Confident	65.2	Low	39 Å²	39	55 Å²	55	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-59.8	-43.1	176.5	173.7	0	0	0	0	110.4	E231 F264 N265 K271 K272	E231-S268 WeakPolarHBondContact OE1-CB 3.28Å; E231-S268 PolarHBondContact OE1-OG 2.72Å; F264-S268 WeakPolarHBondContact O-CB 3.11Å; F264-S268 PolarHBondContact O-N 3.38Å; N265-S268 PolarHBondContact O-N 2.79Å; S268-K271 PolarHBondContact O-N 2.81Å; S268-K272 WeakPolarHBondContact O-CB 3.44Å; S268-K272 VanDerWaalsContact O-CG 3.25Å; S268-K272 WeakPolarHBondContact O-CG 3.24Å; S268-K272 PolarHBondContact O-N 3.11Å; S268-K272 WeakPolarHBondContact OG-CE 3.31Å
269	V	79.4	Confident	67.5	Low	1 Å²	1	54.1 Å²	54.1	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-47.5	173	172.2	0	0	0	0	112.8	M223 W226 E231 L232 V235 N265 L266 E267 K271 K272 L273	M223-V269 HydrophobicContact CE-CG1 3.93Å; W226-V269 HydrophobicContact CH2-CG1 4.17Å; W226-V269 HydrophobicContact CZ2-CB 4.12Å; W226-V269 HydrophobicContact CZ2-CG1 3.99Å; W226-V269 HydrophobicContact CZ2-CG2 3.86Å; E231-V269 HydrophobicContact CG-CG2 3.86Å; E231-V269 WeakPolarHBondContact OE1-CG2 3.47Å; E231-V269 PolarHBondContact OE1-N 2.84Å; L232-V269 HydrophobicContact CD2-CG2 4.18Å; V235-V269 HydrophobicContact CG2-CB 4.24Å; V235-V269 HydrophobicContact CG2-CG2 3.64Å; N265-V269 WeakPolarHBondContact O-CG2 2.91Å; N265-V269 PolarHBondContact O-N 3.26Å; L266-V269 PolarHBondContact O-N 2.87Å; E267-V269 VanDerWaalsContact C-N 3.27Å; E267-V269 PolarHBondContact O-N 3.44Å; V269-K271 VanDerWaalsContact C-N 3.32Å; V269-K271 PolarHBondContact O-N 3.33Å; V269-K272 PolarHBondContact O-N 3.04Å; V269-L273 HydrophobicContact CG1-CD1 3.78Å; V269-L273 HydrophobicContact CG1-CG 4.15Å; V269-L273 WeakPolarHBondContact O-CB 3.36Å; V269-L273 WeakPolarHBondContact O-CG 3.49Å; V269-L273 PolarHBondContact O-N 2.9Å
270	Y	77.6	Confident	69.4	Low	53 Å²	53	50.3 Å²	50.3	21%	0.208	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-42.4	176.9	169.9	-103.1	0	0	0	112.6	I210 F213 L266 E267 L273 S274	I210-Y270 HydrophobicContact CB-CD2 4.29Å; I210-Y270 HydrophobicContact CD1-CD1 4.47Å; I210-Y270 HydrophobicContact CD1-CD2 4.22Å; I210-Y270 HydrophobicContact CD1-CG 3.86Å; I210-Y270 HydrophobicContact CG1-CD2 3.62Å; I210-Y270 HydrophobicContact CG1-CE2 4.23Å; I210-Y270 HydrophobicContact CG1-CG 3.8Å; F213-Y270 HydrophobicContact CD2-CD2 4.21Å; F213-Y270 AromaticContact CD2-CE2 3.62Å; F213-Y270 HydrophobicContact CD2-CE2 3.62Å; F213-Y270 AromaticContact CE2-CE2 3.8Å; F213-Y270 HydrophobicContact CE2-CE2 3.8Å; F213-Y270 HydrophobicContact CG-CD2 4.44Å; F213-Y270 HydrophobicContact CG-CE2 4.27Å; L266-Y270 WeakPolarHBondContact O-CB 3.28Å; L266-Y270 PolarHBondContact O-N 3.16Å; E267-Y270 PolarHBondContact O-N 3.28Å; Y270-L273 PolarHBondContact O-N 2.88Å; Y270-S274 VanDerWaalsContact CE2-OG 3.26Å; Y270-S274 WeakPolarHBondContact CE2-OG 3.36Å; Y270-S274 VanDerWaalsContact CZ-OG 3.27Å; Y270-S274 WeakPolarHBondContact O-CB 3.26Å; Y270-S274 PolarHBondContact O-N 2.7Å; Y270-S274 PolarHBondContact O-OG 3.25Å
271	K	78.6	Confident	71.1	Confident	119 Å²	119	49.8 Å²	49.8	52%	0.517	24%	0.235	S	C	.	.	H	α-helix	trans	-63.2	-44.8	178.4	-171.4	-178.8	-174.4	-176	0	110.5	E267 S268 V269 T275 F296	E267-K271 VanDerWaalsContact O-CB 3.31Å; E267-K271 WeakPolarHBondContact O-CB 3.46Å; E267-K271 PolarHBondContact O-N 2.76Å; S268-K271 PolarHBondContact O-N 2.81Å; V269-K271 VanDerWaalsContact C-N 3.32Å; V269-K271 PolarHBondContact O-N 3.33Å; K271-T275 WeakPolarHBondContact O-CB 3.47Å; K271-T275 PolarHBondContact O-N 3.22Å; K271-T275 PolarHBondContact O-OG1 3.42Å; K271-F296 HydrophobicContact CD-CE1 4.38Å; K271-F296 HydrophobicContact CD-CZ 3.84Å; K271-F296 HydrophobicContact CG-CE2 4.47Å; K271-F296 HydrophobicContact CG-CZ 3.97Å
272	K	86.5	Confident	72.8	Confident	3 Å²	3	46 Å²	46	1%	0.013	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-50.2	175.8	-70.8	170	-177.7	-173	0	110.9	W226 E228 E231 S268 V269 S274 T275 F276 F296 F298	W226-K272 HydrophobicContact CH2-CB 3.47Å; W226-K272 VanDerWaalsContact CH2-CB 3.47Å; W226-K272 HydrophobicContact CH2-CD 4.31Å; W226-K272 HydrophobicContact CH2-CG 4.48Å; W226-K272 HydrophobicContact CZ2-CB 3.43Å; W226-K272 VanDerWaalsContact CZ2-CB 3.43Å; W226-K272 HydrophobicContact CZ2-CD 3.4Å; W226-K272 VanDerWaalsContact CZ2-CD 3.4Å; W226-K272 HydrophobicContact CZ2-CG 4Å; E228-K272 IonicContact OE1-NZ 3.49Å; E228-K272 PolarHBondContact OE1-NZ 2.98Å; E231-K272 IonicContact OE1-NZ 3.14Å; E231-K272 IonicContact OE2-NZ 2.7Å; E231-K272 PolarHBondContact OE2-NZ 3.29Å; S268-K272 WeakPolarHBondContact O-CB 3.44Å; S268-K272 VanDerWaalsContact O-CG 3.25Å; S268-K272 WeakPolarHBondContact O-CG 3.24Å; S268-K272 PolarHBondContact O-N 3.11Å; S268-K272 WeakPolarHBondContact OG-CE 3.31Å; V269-K272 PolarHBondContact O-N 3.04Å; K272-S274 PolarHBondContact O-N 3.39Å; K272-T275 WeakPolarHBondContact O-CB 3.32Å; K272-T275 PolarHBondContact O-N 3.32Å; K272-F276 VanDerWaalsContact O-CD2 3.29Å; K272-F276 WeakPolarHBondContact O-CD2 3.3Å; K272-F276 PolarHBondContact O-N 3.3Å; K272-F296 HydrophobicContact CB-CD2 4.37Å; K272-F296 HydrophobicContact CD-CB 4.38Å; K272-F296 HydrophobicContact CG-CB 4.09Å; K272-F296 HydrophobicContact CG-CD1 4.44Å; K272-F296 HydrophobicContact CG-CD2 3.62Å; K272-F296 HydrophobicContact CG-CE2 4.1Å; K272-F296 HydrophobicContact CG-CG 3.82Å; K272-F298 HydrophobicContact CB-CE2 4.42Å; K272-F298 HydrophobicContact CD-CE2 4.39Å; K272-F298 HydrophobicContact CG-CE2 4.36Å
273	L	85.3	Confident	74.1	Confident	5 Å²	5	41.7 Å²	41.7	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-43	176.9	-71.1	176.1	0	0	0	113	F213 L214 T219 L222 M223 W226 V269 Y270 T275 F276 H277	F213-L273 HydrophobicContact CD1-CB 4.31Å; L214-L273 HydrophobicContact CD2-CD1 3.83Å; T219-L273 HydrophobicContact CG2-CD1 3.77Å; T219-L273 HydrophobicContact CG2-CD2 3.81Å; T219-L273 HydrophobicContact CG2-CG 4.47Å; L222-L273 HydrophobicContact CD1-CD2 4.28Å; M223-L273 HydrophobicContact CE-CD1 4.44Å; W226-L273 HydrophobicContact CH2-CD2 3.9Å; W226-L273 HydrophobicContact CH2-CG 3.89Å; W226-L273 HydrophobicContact CZ3-CD2 3.84Å; W226-L273 HydrophobicContact CZ3-CG 4.34Å; V269-L273 HydrophobicContact CG1-CD1 3.78Å; V269-L273 HydrophobicContact CG1-CG 4.15Å; V269-L273 WeakPolarHBondContact O-CB 3.36Å; V269-L273 WeakPolarHBondContact O-CG 3.49Å; V269-L273 PolarHBondContact O-N 2.9Å; Y270-L273 PolarHBondContact O-N 2.88Å; L273-T275 VanDerWaalsContact C-N 3.31Å; L273-T275 PolarHBondContact O-N 3.41Å; L273-F276 WeakPolarHBondContact O-CB 3.25Å; L273-F276 PolarHBondContact O-N 2.88Å; L273-H277 PolarHBondContact O-N 3.28Å
274	S	81.3	Confident	75.2	Confident	8 Å²	8	44.9 Å²	44.9	6%	0.056	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-41.3	176.4	-65	0	0	0	0	110.7	Y270 K272 F276 H277 F278	Y270-S274 VanDerWaalsContact CE2-OG 3.26Å; Y270-S274 WeakPolarHBondContact CE2-OG 3.36Å; Y270-S274 VanDerWaalsContact CZ-OG 3.27Å; Y270-S274 WeakPolarHBondContact O-CB 3.26Å; Y270-S274 PolarHBondContact O-N 2.7Å; Y270-S274 PolarHBondContact O-OG 3.25Å; K272-S274 PolarHBondContact O-N 3.39Å; S274-F276 PolarHBondContact O-N 3.12Å; S274-H277 CarbonylContact O-C 3.5Å; S274-H277 WeakPolarHBondContact O-CB 3.48Å; S274-H277 PolarHBondContact O-N 3.5Å; S274-H277 VanDerWaalsContact O-N 3.14Å; S274-F278 WeakPolarHBondContact O-CD2 3.24Å; S274-F278 PolarHBondContact O-N 2.93Å
275	T	85	Confident	76.5	Confident	13 Å²	13	42.6 Å²	42.6	8%	0.08	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-42.1	177.2	-54.6	0	0	0	0	111.3	K271 K272 L273 F278 A279 Y289 T292 L293 F296	K271-T275 WeakPolarHBondContact O-CB 3.47Å; K271-T275 PolarHBondContact O-N 3.22Å; K271-T275 PolarHBondContact O-OG1 3.42Å; K272-T275 WeakPolarHBondContact O-CB 3.32Å; K272-T275 PolarHBondContact O-N 3.32Å; L273-T275 VanDerWaalsContact C-N 3.31Å; L273-T275 PolarHBondContact O-N 3.41Å; T275-F278 PolarHBondContact O-N 3.32Å; T275-A279 WeakPolarHBondContact O-CB 3.28Å; T275-A279 PolarHBondContact O-N 3.47Å; T275-Y289 HydrophobicContact CG2-CD1 3.92Å; T275-T292 HydrophobicContact CG2-CG2 4Å; T275-L293 HydrophobicContact CG2-CD1 4.33Å; T275-L293 HydrophobicContact CG2-CD2 3.67Å; T275-L293 HydrophobicContact CG2-CG 3.66Å; T275-F296 HydrophobicContact CG2-CE2 4.43Å
276	F	85	Confident	76.9	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.009	24%	0.241	C	C	.	.	H	α-helix	trans	-59.3	-46.9	170.4	-82.8	-69.9	0	0	0	112	L222 K272 L273 S274 F278 A279 V280 L293 F298 F302 L303 F306	L222-F276 HydrophobicContact CD1-CB 4.26Å; L222-F276 HydrophobicContact CD1-CD2 4.39Å; L222-F276 HydrophobicContact CD1-CG 4.26Å; L222-F276 HydrophobicContact CD2-CD1 4.18Å; L222-F276 HydrophobicContact CD2-CD2 4.37Å; L222-F276 HydrophobicContact CD2-CE1 4.15Å; L222-F276 HydrophobicContact CD2-CE2 4.35Å; L222-F276 HydrophobicContact CD2-CG 4.3Å; L222-F276 HydrophobicContact CD2-CZ 4.24Å; K272-F276 VanDerWaalsContact O-CD2 3.29Å; K272-F276 WeakPolarHBondContact O-CD2 3.3Å; K272-F276 PolarHBondContact O-N 3.3Å; L273-F276 WeakPolarHBondContact O-CB 3.25Å; L273-F276 PolarHBondContact O-N 2.88Å; S274-F276 PolarHBondContact O-N 3.12Å; F276-F278 VanDerWaalsContact C-N 3.33Å; F276-F278 PolarHBondContact O-N 3.42Å; F276-A279 PolarHBondContact O-N 3.48Å; F276-V280 VanDerWaalsContact O-CG2 3.29Å; F276-V280 WeakPolarHBondContact O-CG2 3.43Å; F276-V280 PolarHBondContact O-N 3.28Å; F276-L293 HydrophobicContact CD1-CD1 3.76Å; F276-L293 HydrophobicContact CD1-CD2 4.27Å; F276-L293 HydrophobicContact CD2-CD2 3.78Å; F276-L293 HydrophobicContact CE1-CD1 3.76Å; F276-L293 HydrophobicContact CE1-CD2 4.19Å; F276-L293 HydrophobicContact CE2-CD2 3.68Å; F276-L293 HydrophobicContact CG-CD1 4.26Å; F276-L293 HydrophobicContact CG-CD2 4.07Å; F276-L293 HydrophobicContact CZ-CD1 4.24Å; F276-L293 HydrophobicContact CZ-CD2 3.89Å; F276-F298 HydrophobicContact CE2-CD1 4.15Å; F276-F298 HydrophobicContact CE2-CD2 4.09Å; F276-F298 AromaticContact CE2-CE1 3.67Å; F276-F298 HydrophobicContact CE2-CE1 3.67Å; F276-F298 AromaticContact CE2-CE2 3.64Å; F276-F298 HydrophobicContact CE2-CE2 3.64Å; F276-F298 HydrophobicContact CE2-CG 4.35Å; F276-F298 AromaticContact CE2-CZ 3.42Å; F276-F298 HydrophobicContact CE2-CZ 3.42Å; F276-F298 VanDerWaalsContact CE2-CZ 3.42Å; F276-F298 AromaticContact CZ-CD1 3.69Å; F276-F298 HydrophobicContact CZ-CD1 3.69Å; F276-F298 HydrophobicContact CZ-CD2 4.03Å; F276-F298 AromaticContact CZ-CE1 3.65Å; F276-F298 HydrophobicContact CZ-CE1 3.65Å; F276-F298 HydrophobicContact CZ-CE2 4.03Å; F276-F298 AromaticContact CZ-CG 3.89Å; F276-F298 HydrophobicContact CZ-CG 3.89Å; F276-F298 AromaticContact CZ-CZ 3.86Å; F276-F298 HydrophobicContact CZ-CZ 3.86Å; F276-F302 HydrophobicContact CE1-CE1 4.02Å; F276-F302 AromaticContact CZ-CE1 3.94Å; F276-F302 HydrophobicContact CZ-CE1 3.94Å; F276-L303 HydrophobicContact CE1-CD2 3.9Å; F276-L303 HydrophobicContact CZ-CD2 4.19Å; F276-F306 HydrophobicContact CB-CZ 4.46Å; F276-F306 HydrophobicContact CD1-CD1 4Å; F276-F306 AromaticContact CD1-CE1 3.64Å; F276-F306 HydrophobicContact CD1-CE1 3.64Å; F276-F306 HydrophobicContact CD1-CE2 4.26Å; F276-F306 HydrophobicContact CD1-CG 4.46Å; F276-F306 AromaticContact CD1-CZ 3.78Å; F276-F306 HydrophobicContact CD1-CZ 3.78Å; F276-F306 HydrophobicContact CE1-CD1 4.25Å; F276-F306 HydrophobicContact CE1-CE1 4.33Å; F276-F306 HydrophobicContact CE1-CG 4.4Å
277	H	80.3	Confident	77.4	Confident	66 Å²	66	48.3 Å²	48.3	31%	0.306	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-40.6	179.1	-177.8	61.9	0	0	0	112.3	F213 K216 L273 S274 V280 T281	F213-H277 HydrophobicContact CE1-CB 3.61Å; F213-H277 AromaticContact CE1-CD2 3.97Å; F213-H277 AromaticContact CE1-CG 3.84Å; F213-H277 HydrophobicContact CZ-CB 4.26Å; F213-H277 AromaticContact CZ-CD2 3.83Å; K216-H277 PolarHBondContact NZ-CE1 2.82Å; K216-H277 PolarHBondContact NZ-ND1 2.85Å; L273-H277 PolarHBondContact O-N 3.28Å; S274-H277 CarbonylContact O-C 3.5Å; S274-H277 WeakPolarHBondContact O-CB 3.48Å; S274-H277 PolarHBondContact O-N 3.5Å; S274-H277 VanDerWaalsContact O-N 3.14Å; H277-V280 CarbonylContact O-C 3.52Å; H277-V280 WeakPolarHBondContact O-CA 3.31Å; H277-V280 WeakPolarHBondContact O-CB 3.47Å; H277-V280 PolarHBondContact O-N 2.95Å; H277-V280 VanDerWaalsContact O-N 3.16Å; H277-T281 PolarHBondContact O-N 2.93Å; H277-T281 PolarHBondContact O-OG1 2.7Å; H277-T281 VanDerWaalsContact O-OG1 3.14Å
278	F	79.7	Confident	78.3	Confident	89 Å²	89	52.3 Å²	52.3	39%	0.39	29%	0.291	S	S	.	.	H	α-helix	trans	-71.2	-37.3	177.3	-73.4	-61.6	0	0	0	113.2	S274 T275 F276 V280 T281 N282 Y289	S274-F278 WeakPolarHBondContact O-CD2 3.24Å; S274-F278 PolarHBondContact O-N 2.93Å; T275-F278 PolarHBondContact O-N 3.32Å; F276-F278 VanDerWaalsContact C-N 3.33Å; F276-F278 PolarHBondContact O-N 3.42Å; F278-V280 PolarHBondContact O-N 2.81Å; F278-T281 WeakPolarHBondContact CA-OG1 3.22Å; F278-T281 PolarHBondContact O-N 3.29Å; F278-T281 VanDerWaalsContact O-N 3.17Å; F278-N282 WeakPolarHBondContact O-CB 3Å; F278-N282 PolarHBondContact O-N 3.5Å; F278-N282 PolarHBondContact O-ND2 3.07Å; F278-Y289 HydrophobicContact CB-CD1 4.41Å; F278-Y289 HydrophobicContact CB-CD2 4.49Å; F278-Y289 HydrophobicContact CB-CE1 3.83Å; F278-Y289 HydrophobicContact CB-CE2 3.9Å
279	A	78.1	Confident	78.8	Confident	6 Å²	6	52.6 Å²	52.6	5%	0.05	29%	0.286	C	S	.	.	H	α-helix	trans	-58.1	-33.5	168.9	0	0	0	0	0	111.1	T275 F276 Y289 K310	T275-A279 WeakPolarHBondContact O-CB 3.28Å; T275-A279 PolarHBondContact O-N 3.47Å; F276-A279 PolarHBondContact O-N 3.48Å; A279-Y289 HydrophobicContact CB-CD2 4.3Å; A279-Y289 HydrophobicContact CB-CG 4.22Å; A279-K310 PolarHBondContact O-NZ 2.86Å
280	V	72.5	Confident	79	Confident	47 Å²	47	53.8 Å²	53.8	29%	0.285	29%	0.291	S	S	.	.	H	α-helix	trans	-76.9	-37.2	174.7	173.8	0	0	0	0	112.7	F276 H277 F278 F306 K310	F276-V280 VanDerWaalsContact O-CG2 3.29Å; F276-V280 WeakPolarHBondContact O-CG2 3.43Å; F276-V280 PolarHBondContact O-N 3.28Å; H277-V280 CarbonylContact O-C 3.52Å; H277-V280 WeakPolarHBondContact O-CA 3.31Å; H277-V280 WeakPolarHBondContact O-CB 3.47Å; H277-V280 PolarHBondContact O-N 2.95Å; H277-V280 VanDerWaalsContact O-N 3.16Å; F278-V280 PolarHBondContact O-N 2.81Å; V280-F306 HydrophobicContact CG2-CE1 3.56Å; V280-F306 HydrophobicContact CG2-CZ 3.62Å; V280-K310 VanDerWaalsContact CA-CE 3.43Å; V280-K310 VanDerWaalsContact CA-NZ 3.3Å; V280-K310 HydrophobicContact CB-CD 4.24Å; V280-K310 HydrophobicContact CG1-CD 4.15Å; V280-K310 HydrophobicContact CG1-CG 4.16Å; V280-K310 HydrophobicContact CG2-CD 4.08Å; V280-K310 HydrophobicContact CG2-CG 4.32Å; V280-K310 WeakPolarHBondContact O-CE 3.12Å; V280-K310 PolarHBondContact O-NZ 3.24Å
281	T	72.5	Confident	79.6	Confident	70 Å²	70	58.2 Å²	58.2	43%	0.429	31%	0.312	S	S	.	.	H	α-helix	trans	-86.9	-20.9	-177.5	50.5	0	0	0	0	113.8	H277 F278 P283	H277-T281 PolarHBondContact O-N 2.93Å; H277-T281 PolarHBondContact O-OG1 2.7Å; H277-T281 VanDerWaalsContact O-OG1 3.14Å; F278-T281 WeakPolarHBondContact CA-OG1 3.22Å; F278-T281 PolarHBondContact O-N 3.29Å; F278-T281 VanDerWaalsContact O-N 3.17Å; T281-P283 WeakPolarHBondContact O-CD 3.4Å
282	N	75.9	Confident	80.1	Confident	66 Å²	66	54.8 Å²	54.8	35%	0.353	30%	0.301	S	S	.	.			trans	-127.6	76.5	-173.3	-61.5	-86	0	0	0	111.6	F278 G284 L285 Y289	F278-N282 WeakPolarHBondContact O-CB 3Å; F278-N282 PolarHBondContact O-N 3.5Å; F278-N282 PolarHBondContact O-ND2 3.07Å; N282-G284 PolarHBondContact O-N 3Å; N282-L285 HydrophobicContact CB-CB 4.42Å; N282-L285 HydrophobicContact CB-CD1 4.4Å; N282-L285 PolarHBondContact O-N 2.81Å; N282-Y289 HydrophobicContact CB-CE2 4.18Å
283	P	68.5	Low	80.3	Confident	81 Å²	81	54.8 Å²	54.8	53%	0.526	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-59.9	-30.3	-176.6	22.4	-31.6	0	0	0	113.5	T281 L285 G286	T281-P283 WeakPolarHBondContact O-CD 3.4Å; P283-L285 PolarHBondContact O-N 3Å; P283-G286 PolarHBondContact O-N 2.86Å
284	G	74.7	Confident	80.5	Confident	81 Å²	81	59.1 Å²	59.1	84%	0.835	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-64.3	-16.8	176	0	0	0	0	0	114.7	N282	N282-G284 PolarHBondContact O-N 3Å
285	L	74	Confident	81	Confident	73 Å²	73	64.7 Å²	64.7	38%	0.382	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-107.5	14.2	175	-62.5	177.7	0	0	0	112	N282 P283 E287 Q288 Y289	N282-L285 HydrophobicContact CB-CB 4.42Å; N282-L285 HydrophobicContact CB-CD1 4.4Å; N282-L285 PolarHBondContact O-N 2.81Å; P283-L285 PolarHBondContact O-N 3Å; L285-E287 VanDerWaalsContact C-N 3.35Å; L285-E287 PolarHBondContact O-N 3.47Å; L285-Q288 PolarHBondContact O-N 3.11Å; L285-Q288 VanDerWaalsContact O-N 3.13Å; L285-Y289 HydrophobicContact CB-CD2 3.79Å; L285-Y289 HydrophobicContact CB-CE2 3.46Å; L285-Y289 VanDerWaalsContact CB-CE2 3.46Å; L285-Y289 HydrophobicContact CD1-CE2 4.06Å; L285-Y289 HydrophobicContact CG-CE2 4.42Å; L285-Y289 WeakPolarHBondContact O-CD2 3.13Å; L285-Y289 PolarHBondContact O-N 3.06Å; L285-Y289 VanDerWaalsContact O-N 3.07Å
286	G	72.1	Confident	81.2	Confident	13 Å²	13	65.8 Å²	65.8	13%	0.134	35%	0.353	C	S	.	.	H	α-helix	trans	-53.2	-46.6	-174.3	0	0	0	0	0	113.4	P283 Q288 Y289 K290	P283-G286 PolarHBondContact O-N 2.86Å; G286-Q288 PolarHBondContact O-N 3.45Å; G286-Y289 PolarHBondContact O-N 3.45Å; G286-K290 VanDerWaalsContact O-CB 3.3Å; G286-K290 WeakPolarHBondContact O-CB 3.4Å; G286-K290 PolarHBondContact O-N 3.47Å
287	E	79.6	Confident	81.3	Confident	143 Å²	143	68 Å²	68	67%	0.668	38%	0.376	S	S	*	.	H	α-helix	trans	-64.1	-39.1	179	-73.6	-56.1	140.3	0	0	113.3	L285 K290 K291	L285-E287 VanDerWaalsContact C-N 3.35Å; L285-E287 PolarHBondContact O-N 3.47Å; E287-K290 PolarHBondContact O-N 3.34Å; E287-K291 WeakPolarHBondContact O-CB 3.22Å; E287-K291 PolarHBondContact O-N 3.43Å
288	Q	84.8	Confident	81.7	Confident	121 Å²	121	65.3 Å²	65.3	57%	0.565	36%	0.363	S	S	*	.	H	α-helix	trans	-65.1	-42.6	176.9	-176.1	-179.5	-2	0	0	111	L285 G286 T292	L285-Q288 PolarHBondContact O-N 3.11Å; L285-Q288 VanDerWaalsContact O-N 3.13Å; G286-Q288 PolarHBondContact O-N 3.45Å; Q288-T292 PolarHBondContact O-N 3.21Å; Q288-T292 VanDerWaalsContact O-N 3.08Å; Q288-T292 PolarHBondContact O-OG1 3.01Å
289	Y	83.7	Confident	82.1	Confident	45 Å²	45	63.2 Å²	63.2	18%	0.176	37%	0.367	C	S	.	.	H	α-helix	trans	-72	-37.9	176.8	-65.7	-57.1	0	0	0	112.4	T275 F278 A279 N282 L285 G286 K291 T292 L293	T275-Y289 HydrophobicContact CG2-CD1 3.92Å; F278-Y289 HydrophobicContact CB-CD1 4.41Å; F278-Y289 HydrophobicContact CB-CD2 4.49Å; F278-Y289 HydrophobicContact CB-CE1 3.83Å; F278-Y289 HydrophobicContact CB-CE2 3.9Å; A279-Y289 HydrophobicContact CB-CD2 4.3Å; A279-Y289 HydrophobicContact CB-CG 4.22Å; N282-Y289 HydrophobicContact CB-CE2 4.18Å; L285-Y289 HydrophobicContact CB-CD2 3.79Å; L285-Y289 HydrophobicContact CB-CE2 3.46Å; L285-Y289 VanDerWaalsContact CB-CE2 3.46Å; L285-Y289 HydrophobicContact CD1-CE2 4.06Å; L285-Y289 HydrophobicContact CG-CE2 4.42Å; L285-Y289 WeakPolarHBondContact O-CD2 3.13Å; L285-Y289 PolarHBondContact O-N 3.06Å; L285-Y289 VanDerWaalsContact O-N 3.07Å; G286-Y289 PolarHBondContact O-N 3.45Å; Y289-K291 VanDerWaalsContact C-N 3.33Å; Y289-K291 PolarHBondContact O-N 2.63Å; Y289-T292 WeakPolarHBondContact O-CB 3.34Å; Y289-T292 PolarHBondContact O-N 3.37Å; Y289-T292 VanDerWaalsContact O-N 3.11Å; Y289-L293 WeakPolarHBondContact O-CG 3.38Å; Y289-L293 PolarHBondContact O-N 3.29Å
290	K	84	Confident	82.6	Confident	25 Å²	25	67.2 Å²	67.2	11%	0.109	38%	0.384	C	S	.	.	H	α-helix	trans	-55.9	-48.2	172.3	-173.5	-177.1	179.2	-174	0	110.4	G286 E287 T292 L293 K294 L303 E304 I307	G286-K290 VanDerWaalsContact O-CB 3.3Å; G286-K290 WeakPolarHBondContact O-CB 3.4Å; G286-K290 PolarHBondContact O-N 3.47Å; E287-K290 PolarHBondContact O-N 3.34Å; K290-T292 VanDerWaalsContact C-N 3.33Å; K290-T292 PolarHBondContact O-N 3.23Å; K290-L293 PolarHBondContact O-N 2.82Å; K290-K294 WeakPolarHBondContact O-CB 2.97Å; K290-K294 PolarHBondContact O-N 2.95Å; K290-L303 HydrophobicContact CG-CB 4.26Å; K290-L303 HydrophobicContact CG-CD1 4.3Å; K290-E304 IonicContact NZ-OE1 3.11Å; K290-E304 PolarHBondContact NZ-OE1 3.5Å; K290-I307 HydrophobicContact CB-CD1 4.14Å; K290-I307 HydrophobicContact CD-CD1 4.26Å; K290-I307 HydrophobicContact CG-CD1 4.25Å
291	K	88.4	Confident	83.3	Confident	147 Å²	147	73 Å²	73	64%	0.639	41%	0.408	S	S	*	.	H	α-helix	trans	-59.7	-41.6	175	-172.7	176.1	-178.6	177.6	0	112.5	E287 Y289 K294 N295	E287-K291 WeakPolarHBondContact O-CB 3.22Å; E287-K291 PolarHBondContact O-N 3.43Å; Y289-K291 VanDerWaalsContact C-N 3.33Å; Y289-K291 PolarHBondContact O-N 2.63Å; K291-K294 PolarHBondContact O-N 3.18Å; K291-N295 VanDerWaalsContact O-CG 3.27Å; K291-N295 PolarHBondContact O-N 3.27Å
292	T	89.9	Confident	84.2	Confident	46 Å²	46	70.8 Å²	70.8	28%	0.282	39%	0.393	S	S	.	.	H	α-helix	trans	-65.3	-44.1	178.4	-54.2	0	0	0	0	111.7	T275 Q288 Y289 K290 N295 F296	T275-T292 HydrophobicContact CG2-CG2 4Å; Q288-T292 PolarHBondContact O-N 3.21Å; Q288-T292 VanDerWaalsContact O-N 3.08Å; Q288-T292 PolarHBondContact O-OG1 3.01Å; Y289-T292 WeakPolarHBondContact O-CB 3.34Å; Y289-T292 PolarHBondContact O-N 3.37Å; Y289-T292 VanDerWaalsContact O-N 3.11Å; K290-T292 VanDerWaalsContact C-N 3.33Å; K290-T292 PolarHBondContact O-N 3.23Å; T292-N295 WeakPolarHBondContact O-CB 3.29Å; T292-N295 PolarHBondContact O-N 3.42Å; T292-F296 HydrophobicContact CG2-CD2 4.42Å; T292-F296 HydrophobicContact CG2-CE2 3.71Å; T292-F296 HydrophobicContact CG2-CZ 3.81Å; T292-F296 WeakPolarHBondContact O-CD2 3.41Å; T292-F296 WeakPolarHBondContact O-CG 3.21Å; T292-F296 PolarHBondContact O-N 2.99Å; T292-F296 VanDerWaalsContact O-N 3.14Å
293	L	90.2	Very high	84.8	Confident	3 Å²	3	67.7 Å²	67.7	2%	0.016	38%	0.376	C	S	.	.	H	α-helix	trans	-67.2	-37.5	177.2	-68.2	167.7	0	0	0	111.7	T275 F276 Y289 K290 N295 F296 G297 F298 L303	T275-L293 HydrophobicContact CG2-CD1 4.33Å; T275-L293 HydrophobicContact CG2-CD2 3.67Å; T275-L293 HydrophobicContact CG2-CG 3.66Å; F276-L293 HydrophobicContact CD1-CD1 3.76Å; F276-L293 HydrophobicContact CD1-CD2 4.27Å; F276-L293 HydrophobicContact CD2-CD2 3.78Å; F276-L293 HydrophobicContact CE1-CD1 3.76Å; F276-L293 HydrophobicContact CE1-CD2 4.19Å; F276-L293 HydrophobicContact CE2-CD2 3.68Å; F276-L293 HydrophobicContact CG-CD1 4.26Å; F276-L293 HydrophobicContact CG-CD2 4.07Å; F276-L293 HydrophobicContact CZ-CD1 4.24Å; F276-L293 HydrophobicContact CZ-CD2 3.89Å; Y289-L293 WeakPolarHBondContact O-CG 3.38Å; Y289-L293 PolarHBondContact O-N 3.29Å; K290-L293 PolarHBondContact O-N 2.82Å; L293-N295 VanDerWaalsContact C-N 3.3Å; L293-N295 PolarHBondContact O-N 2.98Å; L293-F296 HydrophobicContact CD2-CD2 4.21Å; L293-F296 CarbonylContact O-C 3.49Å; L293-F296 WeakPolarHBondContact O-CA 3.3Å; L293-F296 WeakPolarHBondContact O-CB 3.2Å; L293-F296 PolarHBondContact O-N 2.75Å; L293-G297 PolarHBondContact O-N 3.1Å; L293-F298 HydrophobicContact CB-CD2 4.3Å; L293-F298 HydrophobicContact CD2-CD2 4.23Å; L293-F298 HydrophobicContact CD2-CE2 4.4Å; L293-F298 WeakPolarHBondContact O-CD2 3.26Å; L293-F298 PolarHBondContact O-N 3.05Å; L293-L303 HydrophobicContact CB-CD1 3.84Å; L293-L303 HydrophobicContact CB-CD2 3.61Å; L293-L303 HydrophobicContact CB-CG 4.4Å; L293-L303 HydrophobicContact CD1-CD2 3.72Å; L293-L303 HydrophobicContact CG-CD2 4.25Å
294	K	90.6	Very high	85.7	Confident	96 Å²	96	67.7 Å²	67.7	42%	0.417	37%	0.369	S	S	.	.	H	α-helix	trans	-59.9	-41.8	172.5	-171.4	170.1	-179.6	169	0	111.2	K290 K291 F296 G297 E300 L303	K290-K294 WeakPolarHBondContact O-CB 2.97Å; K290-K294 PolarHBondContact O-N 2.95Å; K291-K294 PolarHBondContact O-N 3.18Å; K294-F296 PolarHBondContact O-N 3.4Å; K294-G297 PolarHBondContact O-N 3.27Å; K294-E300 IonicContact NZ-OE1 2.72Å; K294-E300 PolarHBondContact NZ-OE1 2.9Å; K294-E300 VanDerWaalsContact NZ-OE1 3.13Å; K294-E300 IonicContact NZ-OE2 3.84Å; K294-E300 PolarHBondContact NZ-OE2 3.29Å; K294-L303 HydrophobicContact CB-CD1 4.13Å
295	N	90.6	Very high	86.3	Confident	125 Å²	125	64.5 Å²	64.5	67%	0.668	34%	0.337	S	S	*	.	H	α-helix	trans	-66.6	-21.9	174.3	-68.2	-13.3	0	0	0	113.5	K291 T292 L293	K291-N295 VanDerWaalsContact O-CG 3.27Å; K291-N295 PolarHBondContact O-N 3.27Å; T292-N295 WeakPolarHBondContact O-CB 3.29Å; T292-N295 PolarHBondContact O-N 3.42Å; L293-N295 VanDerWaalsContact C-N 3.3Å; L293-N295 PolarHBondContact O-N 2.98Å
296	F	89.1	Confident	86.9	Confident	37 Å²	37	61.2 Å²	61.2	16%	0.162	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	1.6	170.4	-64.4	-33.4	0	0	0	113.6	P227 K271 K272 T275 T292 L293 K294 F298	P227-F296 VanDerWaalsContact CG-O 3.25Å; P227-F296 WeakPolarHBondContact CG-O 3.4Å; K271-F296 HydrophobicContact CD-CE1 4.38Å; K271-F296 HydrophobicContact CD-CZ 3.84Å; K271-F296 HydrophobicContact CG-CE2 4.47Å; K271-F296 HydrophobicContact CG-CZ 3.97Å; K272-F296 HydrophobicContact CB-CD2 4.37Å; K272-F296 HydrophobicContact CD-CB 4.38Å; K272-F296 HydrophobicContact CG-CB 4.09Å; K272-F296 HydrophobicContact CG-CD1 4.44Å; K272-F296 HydrophobicContact CG-CD2 3.62Å; K272-F296 HydrophobicContact CG-CE2 4.1Å; K272-F296 HydrophobicContact CG-CG 3.82Å; T275-F296 HydrophobicContact CG2-CE2 4.43Å; T292-F296 HydrophobicContact CG2-CD2 4.42Å; T292-F296 HydrophobicContact CG2-CE2 3.71Å; T292-F296 HydrophobicContact CG2-CZ 3.81Å; T292-F296 WeakPolarHBondContact O-CD2 3.41Å; T292-F296 WeakPolarHBondContact O-CG 3.21Å; T292-F296 PolarHBondContact O-N 2.99Å; T292-F296 VanDerWaalsContact O-N 3.14Å; L293-F296 HydrophobicContact CD2-CD2 4.21Å; L293-F296 CarbonylContact O-C 3.49Å; L293-F296 WeakPolarHBondContact O-CA 3.3Å; L293-F296 WeakPolarHBondContact O-CB 3.2Å; L293-F296 PolarHBondContact O-N 2.75Å; K294-F296 PolarHBondContact O-N 3.4Å; F296-F298 HydrophobicContact CB-CD2 4.02Å; F296-F298 HydrophobicContact CB-CE2 4.13Å
297	G	88.1	Confident	87.5	Confident	49 Å²	49	62.4 Å²	62.4	51%	0.505	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.2	4.8	177	0	0	0	0	0	114.9	L293 K294	L293-G297 PolarHBondContact O-N 3.1Å; K294-G297 PolarHBondContact O-N 3.27Å
298	F	89.5	Confident	87.6	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.035	32%	0.321	C	S	.	.			trans	-72.6	132.5	174.5	-68.2	-83.4	0	0	0	110.8	W226 P227 K272 F276 L293 F296 F302 L303	W226-F298 HydrophobicContact CD2-CZ 4.21Å; W226-F298 HydrophobicContact CE3-CE1 4.39Å; W226-F298 AromaticContact CE3-CZ 3.97Å; W226-F298 HydrophobicContact CE3-CZ 3.97Å; W226-F298 HydrophobicContact CH2-CZ 4.35Å; W226-F298 HydrophobicContact CZ3-CZ 4.05Å; P227-F298 VanDerWaalsContact CD-CE1 3.46Å; P227-F298 HydrophobicContact CG-CD2 4.33Å; P227-F298 HydrophobicContact CG-CE1 4.26Å; P227-F298 HydrophobicContact CG-CE2 4.04Å; P227-F298 HydrophobicContact CG-CZ 3.98Å; K272-F298 HydrophobicContact CB-CE2 4.42Å; K272-F298 HydrophobicContact CD-CE2 4.39Å; K272-F298 HydrophobicContact CG-CE2 4.36Å; F276-F298 HydrophobicContact CE2-CD1 4.15Å; F276-F298 HydrophobicContact CE2-CD2 4.09Å; F276-F298 AromaticContact CE2-CE1 3.67Å; F276-F298 HydrophobicContact CE2-CE1 3.67Å; F276-F298 AromaticContact CE2-CE2 3.64Å; F276-F298 HydrophobicContact CE2-CE2 3.64Å; F276-F298 HydrophobicContact CE2-CG 4.35Å; F276-F298 AromaticContact CE2-CZ 3.42Å; F276-F298 HydrophobicContact CE2-CZ 3.42Å; F276-F298 VanDerWaalsContact CE2-CZ 3.42Å; F276-F298 AromaticContact CZ-CD1 3.69Å; F276-F298 HydrophobicContact CZ-CD1 3.69Å; F276-F298 HydrophobicContact CZ-CD2 4.03Å; F276-F298 AromaticContact CZ-CE1 3.65Å; F276-F298 HydrophobicContact CZ-CE1 3.65Å; F276-F298 HydrophobicContact CZ-CE2 4.03Å; F276-F298 AromaticContact CZ-CG 3.89Å; F276-F298 HydrophobicContact CZ-CG 3.89Å; F276-F298 AromaticContact CZ-CZ 3.86Å; F276-F298 HydrophobicContact CZ-CZ 3.86Å; L293-F298 HydrophobicContact CB-CD2 4.3Å; L293-F298 HydrophobicContact CD2-CD2 4.23Å; L293-F298 HydrophobicContact CD2-CE2 4.4Å; L293-F298 WeakPolarHBondContact O-CD2 3.26Å; L293-F298 PolarHBondContact O-N 3.05Å; F296-F298 HydrophobicContact CB-CD2 4.02Å; F296-F298 HydrophobicContact CB-CE2 4.13Å; F298-F302 HydrophobicContact CD1-CD1 4.25Å; F298-F302 HydrophobicContact CD1-CE1 4.06Å; F298-L303 HydrophobicContact CB-CD1 4.02Å; F298-L303 HydrophobicContact CB-CD2 3.83Å; F298-L303 HydrophobicContact CB-CG 3.95Å; F298-L303 HydrophobicContact CG-CD2 4.48Å
299	G	88.2	Confident	87.6	Confident	45 Å²	45	56.9 Å²	56.9	46%	0.464	30%	0.298	S	S	.	.			trans	-64.9	147.9	-179.1	0	0	0	0	0	113.1	F302 L303	G299-F302 PolarHBondContact O-N 3.32Å; G299-L303 WeakPolarHBondContact O-CG 3.39Å; G299-L303 PolarHBondContact O-N 2.73Å
300	E	88.2	Confident	87.2	Confident	90 Å²	90	56.8 Å²	56.8	42%	0.421	30%	0.298	S	S	.	.	H	α-helix	trans	-63.4	-48	-175	-174.7	149.1	-136.2	0	0	112.7	K294 F302 L303 E304	K294-E300 IonicContact NZ-OE1 2.72Å; K294-E300 PolarHBondContact NZ-OE1 2.9Å; K294-E300 VanDerWaalsContact NZ-OE1 3.13Å; K294-E300 IonicContact NZ-OE2 3.84Å; K294-E300 PolarHBondContact NZ-OE2 3.29Å; E300-F302 VanDerWaalsContact C-N 3.3Å; E300-F302 PolarHBondContact O-N 2.87Å; E300-L303 PolarHBondContact O-N 2.76Å; E300-L303 VanDerWaalsContact O-N 3.13Å; E300-E304 WeakPolarHBondContact O-CG 3.24Å; E300-E304 PolarHBondContact O-N 2.92Å
301	E	87.6	Confident	86.7	Confident	168 Å²	168	62.1 Å²	62.1	79%	0.785	32%	0.323	S	S	*	.	H	α-helix	trans	-59.4	-40.2	176.8	-63.5	178.9	174.6	0	0	112.2	E304 G305	E301-E304 PolarHBondContact O-N 3.44Å; E301-G305 PolarHBondContact O-N 3.45Å
302	F	90	Very high	86.1	Confident	25 Å²	25	57 Å²	57	11%	0.11	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-43.8	176.2	174.2	-92.9	0	0	0	111.4	L222 H225 F276 F298 G299 E300 F306 F318 L319 Q322	L222-F302 HydrophobicContact CD2-CZ 4.27Å; H225-F302 HydrophobicContact CB-CE2 3.81Å; H225-F302 HydrophobicContact CB-CZ 3.99Å; H225-F302 AromaticContact CD2-CE2 3.93Å; H225-F302 AromaticContact CG-CE2 3.83Å; F276-F302 HydrophobicContact CE1-CE1 4.02Å; F276-F302 AromaticContact CZ-CE1 3.94Å; F276-F302 HydrophobicContact CZ-CE1 3.94Å; F298-F302 HydrophobicContact CD1-CD1 4.25Å; F298-F302 HydrophobicContact CD1-CE1 4.06Å; G299-F302 PolarHBondContact O-N 3.32Å; E300-F302 VanDerWaalsContact C-N 3.3Å; E300-F302 PolarHBondContact O-N 2.87Å; F302-F306 VanDerWaalsContact O-CB 3.25Å; F302-F306 WeakPolarHBondContact O-CB 3.34Å; F302-F306 PolarHBondContact O-N 3.37Å; F302-F318 HydrophobicContact CD2-CE1 4.08Å; F302-F318 HydrophobicContact CD2-CZ 4.06Å; F302-F318 AromaticContact CE2-CE1 3.92Å; F302-F318 HydrophobicContact CE2-CE1 3.92Å; F302-F318 HydrophobicContact CE2-CZ 4.36Å; F302-F318 HydrophobicContact CZ-CE1 4.46Å; F302-F318 WeakPolarHBondContact O-CZ 3.26Å; F302-L319 HydrophobicContact CE2-CD2 3.78Å; F302-L319 HydrophobicContact CZ-CD2 3.63Å; F302-Q322 HydrophobicContact CD2-CG 4.06Å; F302-Q322 HydrophobicContact CE2-CG 4.04Å
303	L	89.3	Confident	85.6	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-67.8	-38.3	179.9	-67.9	174.5	0	0	0	112.1	F276 K290 L293 K294 F298 G299 E300 F306 I307	F276-L303 HydrophobicContact CE1-CD2 3.9Å; F276-L303 HydrophobicContact CZ-CD2 4.19Å; K290-L303 HydrophobicContact CG-CB 4.26Å; K290-L303 HydrophobicContact CG-CD1 4.3Å; L293-L303 HydrophobicContact CB-CD1 3.84Å; L293-L303 HydrophobicContact CB-CD2 3.61Å; L293-L303 HydrophobicContact CB-CG 4.4Å; L293-L303 HydrophobicContact CD1-CD2 3.72Å; L293-L303 HydrophobicContact CG-CD2 4.25Å; K294-L303 HydrophobicContact CB-CD1 4.13Å; F298-L303 HydrophobicContact CB-CD1 4.02Å; F298-L303 HydrophobicContact CB-CD2 3.83Å; F298-L303 HydrophobicContact CB-CG 3.95Å; F298-L303 HydrophobicContact CG-CD2 4.48Å; G299-L303 WeakPolarHBondContact O-CG 3.39Å; G299-L303 PolarHBondContact O-N 2.73Å; E300-L303 PolarHBondContact O-N 2.76Å; E300-L303 VanDerWaalsContact O-N 3.13Å; L303-F306 PolarHBondContact O-N 3.47Å; L303-I307 WeakPolarHBondContact O-CB 3.3Å; L303-I307 WeakPolarHBondContact O-CD1 3.34Å; L303-I307 VanDerWaalsContact O-CG1 3.23Å; L303-I307 WeakPolarHBondContact O-CG1 3.38Å; L303-I307 PolarHBondContact O-N 3.09Å
304	E	86.2	Confident	85.4	Confident	80 Å²	80	65 Å²	65	37%	0.374	36%	0.359	S	S	.	.	H	α-helix	trans	-63	-52.2	174.1	-73.3	175.8	178.2	0	0	111.1	K290 E300 E301 F306 I307 E308	K290-E304 IonicContact NZ-OE1 3.11Å; K290-E304 PolarHBondContact NZ-OE1 3.5Å; E300-E304 WeakPolarHBondContact O-CG 3.24Å; E300-E304 PolarHBondContact O-N 2.92Å; E301-E304 PolarHBondContact O-N 3.44Å; E304-F306 VanDerWaalsContact C-N 3.28Å; E304-F306 PolarHBondContact O-N 2.92Å; E304-I307 PolarHBondContact O-N 3.4Å; E304-I307 VanDerWaalsContact O-N 3.13Å; E304-E308 WeakPolarHBondContact O-CB 3.17Å; E304-E308 WeakPolarHBondContact O-CG 3.37Å; E304-E308 PolarHBondContact O-N 3.04Å
305	G	87.5	Confident	85.1	Confident	15 Å²	15	61.5 Å²	61.5	16%	0.155	35%	0.346	C	S	.	.	H	α-helix	trans	-61	-35	176.8	0	0	0	0	0	113.3	E301 S309 F318	E301-G305 PolarHBondContact O-N 3.45Å; G305-S309 WeakPolarHBondContact O-CB 3.34Å; G305-S309 PolarHBondContact O-N 2.96Å; G305-S309 PolarHBondContact O-OG 3.2Å; G305-F318 VanDerWaalsContact C-CZ 3.46Å
306	F	88	Confident	84.6	Confident	4 Å²	4	60 Å²	60	2%	0.018	34%	0.335	C	S	.	.	H	α-helix	trans	-65.3	-45.1	174.4	-179.7	-94	0	0	0	111.9	L222 F276 V280 F302 L303 E304 S309 K310 V315 F318 L319	L222-F306 HydrophobicContact CD2-CD2 4.27Å; L222-F306 HydrophobicContact CD2-CE2 3.86Å; F276-F306 HydrophobicContact CB-CZ 4.46Å; F276-F306 HydrophobicContact CD1-CD1 4Å; F276-F306 AromaticContact CD1-CE1 3.64Å; F276-F306 HydrophobicContact CD1-CE1 3.64Å; F276-F306 HydrophobicContact CD1-CE2 4.26Å; F276-F306 HydrophobicContact CD1-CG 4.46Å; F276-F306 AromaticContact CD1-CZ 3.78Å; F276-F306 HydrophobicContact CD1-CZ 3.78Å; F276-F306 HydrophobicContact CE1-CD1 4.25Å; F276-F306 HydrophobicContact CE1-CE1 4.33Å; F276-F306 HydrophobicContact CE1-CG 4.4Å; V280-F306 HydrophobicContact CG2-CE1 3.56Å; V280-F306 HydrophobicContact CG2-CZ 3.62Å; F302-F306 VanDerWaalsContact O-CB 3.25Å; F302-F306 WeakPolarHBondContact O-CB 3.34Å; F302-F306 PolarHBondContact O-N 3.37Å; L303-F306 PolarHBondContact O-N 3.47Å; E304-F306 VanDerWaalsContact C-N 3.28Å; E304-F306 PolarHBondContact O-N 2.92Å; F306-S309 PolarHBondContact O-OG 2.94Å; F306-K310 WeakPolarHBondContact O-CB 3.45Å; F306-K310 PolarHBondContact O-N 3.4Å; F306-V315 HydrophobicContact CD2-CG1 3.96Å; F306-V315 HydrophobicContact CE2-CG1 3.41Å; F306-V315 VanDerWaalsContact CE2-CG1 3.41Å; F306-V315 HydrophobicContact CZ-CG1 4.12Å; F306-F318 HydrophobicContact CB-CD1 4.36Å; F306-F318 HydrophobicContact CB-CE1 3.8Å; F306-F318 HydrophobicContact CB-CZ 4.49Å; F306-F318 HydrophobicContact CD2-CD1 4.49Å; F306-F318 HydrophobicContact CD2-CE1 4.47Å; F306-L319 HydrophobicContact CD2-CD2 4.12Å; F306-L319 HydrophobicContact CE2-CD1 4.4Å
307	I	83.5	Confident	84.5	Confident	38 Å²	38	63 Å²	63	20%	0.195	35%	0.35	C	S	.	.	H	α-helix	trans	-67.5	-43.2	178.7	-68.8	167.5	0	0	0	110.4	K290 L303 E304 K310 H311	K290-I307 HydrophobicContact CB-CD1 4.14Å; K290-I307 HydrophobicContact CD-CD1 4.26Å; K290-I307 HydrophobicContact CG-CD1 4.25Å; L303-I307 WeakPolarHBondContact O-CB 3.3Å; L303-I307 WeakPolarHBondContact O-CD1 3.34Å; L303-I307 VanDerWaalsContact O-CG1 3.23Å; L303-I307 WeakPolarHBondContact O-CG1 3.38Å; L303-I307 PolarHBondContact O-N 3.09Å; E304-I307 PolarHBondContact O-N 3.4Å; E304-I307 VanDerWaalsContact O-N 3.13Å; I307-K310 WeakPolarHBondContact O-CB 3.28Å; I307-K310 PolarHBondContact O-N 3.32Å; I307-H311 PolarHBondContact O-N 2.92Å; I307-H311 PolarHBondContact O-ND1 3.16Å
308	E	83	Confident	84.5	Confident	136 Å²	136	62.2 Å²	62.2	64%	0.636	33%	0.332	S	S	*	.	H	α-helix	trans	-65.9	-46.6	178	-72.6	-179.6	177.1	0	0	112.5	E304 K310 H311 G312	E304-E308 WeakPolarHBondContact O-CB 3.17Å; E304-E308 WeakPolarHBondContact O-CG 3.37Å; E304-E308 PolarHBondContact O-N 3.04Å; E308-K310 PolarHBondContact O-N 3.46Å; E308-H311 WeakPolarHBondContact O-CB 3.3Å; E308-H311 PolarHBondContact O-N 2.86Å; E308-G312 PolarHBondContact O-N 2.86Å; E308-G312 VanDerWaalsContact O-N 3.15Å
309	S	83.1	Confident	84.4	Confident	12 Å²	12	62 Å²	62	8%	0.084	33%	0.332	C	S	.	.	H	α-helix	trans	-59.8	-32.8	178.4	62.1	0	0	0	0	112	G305 F306 G312 G313 R314 F318	G305-S309 WeakPolarHBondContact O-CB 3.34Å; G305-S309 PolarHBondContact O-N 2.96Å; G305-S309 PolarHBondContact O-OG 3.2Å; F306-S309 PolarHBondContact O-OG 2.94Å; S309-G312 CarbonylContact O-C 3.41Å; S309-G312 PolarHBondContact O-N 3.3Å; S309-G313 PolarHBondContact O-N 3.15Å; S309-G313 VanDerWaalsContact O-N 3.07Å; S309-R314 PolarHBondContact O-N 3.05Å; S309-F318 WeakPolarHBondContact OG-CB 3.39Å
310	K	76.1	Confident	84.2	Confident	42 Å²	42	65 Å²	65	18%	0.183	34%	0.341	C	S	.	.	H	α-helix	trans	-65.2	-45.6	171.8	178.8	-143.6	167.6	-177.6	0	112.9	A279 V280 F306 I307 E308 G312 G313 V315	A279-K310 PolarHBondContact O-NZ 2.86Å; V280-K310 VanDerWaalsContact CA-CE 3.43Å; V280-K310 VanDerWaalsContact CA-NZ 3.3Å; V280-K310 HydrophobicContact CB-CD 4.24Å; V280-K310 HydrophobicContact CG1-CD 4.15Å; V280-K310 HydrophobicContact CG1-CG 4.16Å; V280-K310 HydrophobicContact CG2-CD 4.08Å; V280-K310 HydrophobicContact CG2-CG 4.32Å; V280-K310 WeakPolarHBondContact O-CE 3.12Å; V280-K310 PolarHBondContact O-NZ 3.24Å; F306-K310 WeakPolarHBondContact O-CB 3.45Å; F306-K310 PolarHBondContact O-N 3.4Å; I307-K310 WeakPolarHBondContact O-CB 3.28Å; I307-K310 PolarHBondContact O-N 3.32Å; E308-K310 PolarHBondContact O-N 3.46Å; K310-G312 PolarHBondContact O-N 3.08Å; K310-G313 PolarHBondContact O-N 2.98Å; K310-V315 VanDerWaalsContact CA-CG2 3.43Å; K310-V315 HydrophobicContact CB-CG2 3.58Å; K310-V315 HydrophobicContact CG-CG2 4.2Å
311	H	73.3	Confident	84.1	Confident	137 Å²	137	70.1 Å²	70.1	63%	0.634	36%	0.356	S	S	*	.	H	α-helix	trans	-58.3	-29	175.1	-68.4	95.7	0	0	0	111.7	I307 E308	I307-H311 PolarHBondContact O-N 2.92Å; I307-H311 PolarHBondContact O-ND1 3.16Å; E308-H311 WeakPolarHBondContact O-CB 3.3Å; E308-H311 PolarHBondContact O-N 2.86Å
312	G	77	Confident	83.9	Confident	40 Å²	40	65.1 Å²	65.1	41%	0.412	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	3.9	173.5	0	0	0	0	0	116.3	E308 S309 K310 R314	E308-G312 PolarHBondContact O-N 2.86Å; E308-G312 VanDerWaalsContact O-N 3.15Å; S309-G312 CarbonylContact O-C 3.41Å; S309-G312 PolarHBondContact O-N 3.3Å; K310-G312 PolarHBondContact O-N 3.08Å; G312-R314 VanDerWaalsContact C-N 3.26Å; G312-R314 WeakPolarHBondContact O-CG 3.49Å; G312-R314 PolarHBondContact O-N 3.28Å
313	G	79.1	Confident	83.6	Confident	72 Å²	72	70.1 Å²	70.1	74%	0.742	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	19.6	-177.7	0	0	0	0	0	115.5	S309 K310	S309-G313 PolarHBondContact O-N 3.15Å; S309-G313 VanDerWaalsContact O-N 3.07Å; K310-G313 PolarHBondContact O-N 2.98Å
314	R	85.5	Confident	83.3	Confident	144 Å²	144	72.6 Å²	72.6	54%	0.543	38%	0.383	S	S	.	.			trans	-119	30.6	-169.7	-71.3	177.5	-69.6	170.1	2	113.7	S309 G312 E316 E317 F318	S309-R314 PolarHBondContact O-N 3.05Å; G312-R314 VanDerWaalsContact C-N 3.26Å; G312-R314 WeakPolarHBondContact O-CG 3.49Å; G312-R314 PolarHBondContact O-N 3.28Å; R314-E316 PolarHBondContact O-N 2.77Å; R314-E317 HydrophobicContact CB-CB 4.38Å; R314-E317 WeakPolarHBondContact CD-OE2 3.43Å; R314-E317 PolarHBondContact O-N 3.08Å; R314-F318 PolarHBondContact O-N 2.77Å
315	V	83.5	Confident	83.2	Confident	23 Å²	23	71.6 Å²	71.6	14%	0.139	38%	0.382	C	S	.	.	H	α-helix	trans	-58.7	-45.6	-176.9	179.9	0	0	0	0	112.1	V218 F306 K310 F318 L319	V218-V315 HydrophobicContact CG1-CG1 4Å; F306-V315 HydrophobicContact CD2-CG1 3.96Å; F306-V315 HydrophobicContact CE2-CG1 3.41Å; F306-V315 VanDerWaalsContact CE2-CG1 3.41Å; F306-V315 HydrophobicContact CZ-CG1 4.12Å; K310-V315 VanDerWaalsContact CA-CG2 3.43Å; K310-V315 HydrophobicContact CB-CG2 3.58Å; K310-V315 HydrophobicContact CG-CG2 4.2Å; V315-F318 PolarHBondContact O-N 3.41Å; V315-L319 HydrophobicContact CG1-CD1 3.94Å; V315-L319 HydrophobicContact CG1-CG 4.36Å; V315-L319 VanDerWaalsContact O-CG 3.32Å; V315-L319 WeakPolarHBondContact O-CG 3.2Å; V315-L319 PolarHBondContact O-N 3.45Å
316	E	80.8	Confident	83	Confident	93 Å²	93	71.3 Å²	71.3	44%	0.435	38%	0.378	S	S	.	.	H	α-helix	trans	-63.3	-44.6	180	-69.2	-176	174.6	0	0	111.4	K217 V218 R314 F318 L319 V320	K217-E316 WeakPolarHBondContact CB-OE1 3.4Å; V218-E316 HydrophobicContact CG2-CG 4.06Å; R314-E316 PolarHBondContact O-N 2.77Å; E316-F318 VanDerWaalsContact C-N 3.33Å; E316-F318 PolarHBondContact O-N 3.3Å; E316-L319 PolarHBondContact O-N 2.94Å; E316-V320 WeakPolarHBondContact O-CG2 3.17Å; E316-V320 PolarHBondContact O-N 3.11Å
317	E	86.2	Confident	82.8	Confident	102 Å²	102	75.2 Å²	75.2	48%	0.477	40%	0.399	S	S	.	.	H	α-helix	trans	-60.4	-42.4	176.1	-63.2	-179.4	-178.1	0	0	112.2	R314 R321	R314-E317 HydrophobicContact CB-CB 4.38Å; R314-E317 WeakPolarHBondContact CD-OE2 3.43Å; R314-E317 PolarHBondContact O-N 3.08Å; E317-R321 VanDerWaalsContact O-CG 3.28Å; E317-R321 WeakPolarHBondContact O-CG 3.16Å; E317-R321 PolarHBondContact O-N 3.45Å
318	F	89.2	Confident	82.9	Confident	31 Å²	31	76.5 Å²	76.5	14%	0.136	41%	0.406	C	S	.	.	H	α-helix	trans	-59.8	-50.7	176.2	166.3	-99.6	0	0	0	111.1	F302 G305 F306 S309 R314 V315 E316 V320 R321 Q322	F302-F318 HydrophobicContact CD2-CE1 4.08Å; F302-F318 HydrophobicContact CD2-CZ 4.06Å; F302-F318 AromaticContact CE2-CE1 3.92Å; F302-F318 HydrophobicContact CE2-CE1 3.92Å; F302-F318 HydrophobicContact CE2-CZ 4.36Å; F302-F318 HydrophobicContact CZ-CE1 4.46Å; F302-F318 WeakPolarHBondContact O-CZ 3.26Å; G305-F318 VanDerWaalsContact C-CZ 3.46Å; F306-F318 HydrophobicContact CB-CD1 4.36Å; F306-F318 HydrophobicContact CB-CE1 3.8Å; F306-F318 HydrophobicContact CB-CZ 4.49Å; F306-F318 HydrophobicContact CD2-CD1 4.49Å; F306-F318 HydrophobicContact CD2-CE1 4.47Å; S309-F318 WeakPolarHBondContact OG-CB 3.39Å; R314-F318 PolarHBondContact O-N 2.77Å; V315-F318 PolarHBondContact O-N 3.41Å; E316-F318 VanDerWaalsContact C-N 3.33Å; E316-F318 PolarHBondContact O-N 3.3Å; F318-V320 VanDerWaalsContact C-N 3.33Å; F318-V320 PolarHBondContact O-N 2.97Å; F318-R321 PolarHBondContact O-N 3Å; F318-R321 VanDerWaalsContact O-N 3.16Å; F318-Q322 HydrophobicContact CD1-CG 4.49Å; F318-Q322 HydrophobicContact CE1-CG 4.05Å; F318-Q322 HydrophobicContact CE2-CG 4.21Å; F318-Q322 HydrophobicContact CZ-CG 3.89Å; F318-Q322 WeakPolarHBondContact O-CG 3.22Å; F318-Q322 PolarHBondContact O-N 3.13Å; F318-Q322 PolarHBondContact O-NE2 3.29Å
319	L	86.9	Confident	83.2	Confident	3 Å²	3	76.1 Å²	76.1	2%	0.016	41%	0.405	C	S	.	.	H	α-helix	trans	-65.5	-34.2	-176.9	-67.9	172.8	0	0	0	113	V218 C221 L222 H225 F302 F306 V315 E316 R321 Q322	V218-L319 HydrophobicContact CG1-CD1 3.44Å; V218-L319 VanDerWaalsContact CG1-CD1 3.44Å; C221-L319 HydrophobicContact CB-CB 3.72Å; C221-L319 HydrophobicContact CB-CD1 3.78Å; C221-L319 HydrophobicContact CB-CG 4.39Å; L222-L319 HydrophobicContact CD2-CD1 3.99Å; L222-L319 HydrophobicContact CD2-CD2 3.79Å; L222-L319 HydrophobicContact CG-CD1 3.9Å; L222-L319 HydrophobicContact CG-CD2 4.49Å; H225-L319 PolarHBondContact NE2-O 2.76Å; F302-L319 HydrophobicContact CE2-CD2 3.78Å; F302-L319 HydrophobicContact CZ-CD2 3.63Å; F306-L319 HydrophobicContact CD2-CD2 4.12Å; F306-L319 HydrophobicContact CE2-CD1 4.4Å; V315-L319 HydrophobicContact CG1-CD1 3.94Å; V315-L319 HydrophobicContact CG1-CG 4.36Å; V315-L319 VanDerWaalsContact O-CG 3.32Å; V315-L319 WeakPolarHBondContact O-CG 3.2Å; V315-L319 PolarHBondContact O-N 3.45Å; E316-L319 PolarHBondContact O-N 2.94Å; L319-R321 VanDerWaalsContact C-N 3.32Å; L319-Q322 PolarHBondContact O-N 3.02Å
320	V	84.9	Confident	83.4	Confident	109 Å²	109	76.9 Å²	76.9	66%	0.661	41%	0.409	S	S	*	.	H	α-helix	trans	-69.5	-30.8	176	172.9	0	0	0	0	111.8	E316 F318 Q322	E316-V320 WeakPolarHBondContact O-CG2 3.17Å; E316-V320 PolarHBondContact O-N 3.11Å; F318-V320 VanDerWaalsContact C-N 3.33Å; F318-V320 PolarHBondContact O-N 2.97Å; V320-Q322 VanDerWaalsContact C-N 3.34Å
321	R	85.2	Confident	84.1	Confident	198 Å²	198	75 Å²	75	75%	0.747	40%	0.4	S	S	*	.	H	α-helix	trans	-78.5	-15.5	178.2	-71.3	175.8	-173.6	-167.6	4.2	114	E317 F318 L319	E317-R321 VanDerWaalsContact O-CG 3.28Å; E317-R321 WeakPolarHBondContact O-CG 3.16Å; E317-R321 PolarHBondContact O-N 3.45Å; F318-R321 PolarHBondContact O-N 3Å; F318-R321 VanDerWaalsContact O-N 3.16Å; L319-R321 VanDerWaalsContact C-N 3.32Å
322	Q	84.2	Confident	84.9	Confident	62 Å²	62	74.4 Å²	74.4	29%	0.29	40%	0.398	S	S	.	.	S	Bend	trans	-75.3	148.2	179.1	-62.8	-42.2	-69.4	0	0	111.3	H225 F302 F318 L319 V320 S324	H225-Q322 WeakPolarHBondContact CE1-CB 3.22Å; H225-Q322 PolarHBondContact CE1-O 3.17Å; H225-Q322 WeakPolarHBondContact NE2-CB 3.5Å; F302-Q322 HydrophobicContact CD2-CG 4.06Å; F302-Q322 HydrophobicContact CE2-CG 4.04Å; F318-Q322 HydrophobicContact CD1-CG 4.49Å; F318-Q322 HydrophobicContact CE1-CG 4.05Å; F318-Q322 HydrophobicContact CE2-CG 4.21Å; F318-Q322 HydrophobicContact CZ-CG 3.89Å; F318-Q322 WeakPolarHBondContact O-CG 3.22Å; F318-Q322 PolarHBondContact O-N 3.13Å; F318-Q322 PolarHBondContact O-NE2 3.29Å; L319-Q322 PolarHBondContact O-N 3.02Å; V320-Q322 VanDerWaalsContact C-N 3.34Å; Q322-S324 PolarHBondContact O-N 2.88Å
323	T	82.2	Confident	85.6	Confident	130 Å²	130	75.1 Å²	75.1	80%	0.798	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-72.6	119.9	174.5	-54.8	0	0	0	0	110.3	H225 T325	H225-T323 PolarHBondContact CE1-O 2.74Å; H225-T323 PolarHBondContact ND1-O 3.21Å; H225-T323 VanDerWaalsContact ND1-O 3.16Å; T323-T325 PolarHBondContact O-N 3.24Å
324	S	84	Confident	86.1	Confident	53 Å²	53	71.7 Å²	71.7	37%	0.371	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-64.7	130.8	-177.9	-57.7	0	0	0	0	111.7	K224 Q322	K224-S324 CarbonylContact O-C 3.59Å; K224-S324 WeakPolarHBondContact O-CA 3.5Å; Q322-S324 PolarHBondContact O-N 2.88Å
325	T	83.3	Confident	86.4	Confident	59 Å²	59	67.1 Å²	67.1	36%	0.362	34%	0.341	S	S	.	.	S	Bend	trans	-86.4	-26.7	172	59.7	0	0	0	0	111.8	K224 H225 W226 K229 T323	K224-T325 PolarHBondContact O-N 3.44Å; K224-T325 PolarHBondContact O-OG1 3.3Å; H225-T325 VanDerWaalsContact CA-OG1 3.31Å; H225-T325 WeakPolarHBondContact CA-OG1 3.14Å; W226-T325 PolarHBondContact N-OG1 3.08Å; W226-T325 PolarHBondContact O-OG1 2.91Å; K229-T325 VanDerWaalsContact CD-O 3.23Å; K229-T325 WeakPolarHBondContact CD-O 3.15Å; K229-T325 WeakPolarHBondContact CE-O 3.21Å; K229-T325 PolarHBondContact NZ-O 3.37Å; T323-T325 PolarHBondContact O-N 3.24Å
326	V	84.1	Confident	86.7	Confident	10 Å²	10	70.7 Å²	70.7	6%	0.061	35%	0.354	C	S	.	.	S	Bend	trans	-108	147.1	-175.8	-179.6	0	0	0	0	110.9	M223 K224 W226 K229 L232 N328 V331	M223-V326 WeakPolarHBondContact O-CG2 3.41Å; K224-V326 PolarHBondContact O-N 2.8Å; W226-V326 HydrophobicContact CB-CG2 3.8Å; K229-V326 HydrophobicContact CB-CG2 4.48Å; K229-V326 HydrophobicContact CG-CG2 4.18Å; L232-V326 HydrophobicContact CD1-CB 4.37Å; L232-V326 HydrophobicContact CD1-CG1 3.88Å; L232-V326 HydrophobicContact CD1-CG2 3.96Å; V326-N328 PolarHBondContact O-N 2.64Å; V326-V331 HydrophobicContact CG1-CG2 4.14Å
327	N	83.7	Confident	86.8	Confident	85 Å²	85	66.4 Å²	66.4	46%	0.455	33%	0.334	S	S	.	.			trans	-62.9	128.1	174.4	-176.7	-4.3	0	0	0	110.6	E329 V330	N327-E329 PolarHBondContact ND2-OE2 2.67Å; N327-E329 PolarHBondContact O-N 3.3Å; N327-E329 PolarHBondContact OD1-N 2.9Å; N327-V330 HydrophobicContact CB-CG2 4.4Å; N327-V330 PolarHBondContact O-N 3.13Å
328	N	86	Confident	86.7	Confident	66 Å²	66	61.6 Å²	61.6	35%	0.353	31%	0.312	S	S	.	.	H	α-helix	trans	-54.2	-36.3	177.3	-75.4	-35.6	0	0	0	112.6	K224 V326 V330 V331 E332	K224-N328 WeakPolarHBondContact CD-OD1 3.43Å; K224-N328 WeakPolarHBondContact CE-OD1 3.35Å; K224-N328 PolarHBondContact NZ-OD1 2.88Å; V326-N328 PolarHBondContact O-N 2.64Å; N328-V330 VanDerWaalsContact C-N 3.29Å; N328-V330 PolarHBondContact O-N 3.32Å; N328-V331 PolarHBondContact O-N 3.17Å; N328-E332 WeakPolarHBondContact O-CB 3.33Å; N328-E332 WeakPolarHBondContact O-CG 3.19Å; N328-E332 PolarHBondContact O-N 2.69Å
329	E	89.1	Confident	86.4	Confident	128 Å²	128	63.2 Å²	63.2	60%	0.598	33%	0.327	S	S	*	.	H	α-helix	trans	-59.6	-38.7	-178.9	-65.5	173.5	158.7	0	0	112.5	N327 E332 E333	N327-E329 PolarHBondContact ND2-OE2 2.67Å; N327-E329 PolarHBondContact O-N 3.3Å; N327-E329 PolarHBondContact OD1-N 2.9Å; E329-E332 PolarHBondContact O-N 2.77Å; E329-E333 WeakPolarHBondContact O-CB 3.17Å; E329-E333 WeakPolarHBondContact O-CG 3.27Å; E329-E333 PolarHBondContact O-N 2.88Å
330	V	88.1	Confident	86.1	Confident	28 Å²	28	66.8 Å²	66.8	17%	0.17	34%	0.343	C	S	.	.	H	α-helix	trans	-66.9	-43.7	179.2	177.3	0	0	0	0	110.1	L232 N327 N328 E333 I334	L232-V330 HydrophobicContact CB-CG1 4.26Å; N327-V330 HydrophobicContact CB-CG2 4.4Å; N327-V330 PolarHBondContact O-N 3.13Å; N328-V330 VanDerWaalsContact C-N 3.29Å; N328-V330 PolarHBondContact O-N 3.32Å; V330-E333 PolarHBondContact O-N 3.22Å; V330-I334 HydrophobicContact CG1-CD1 4.15Å; V330-I334 VanDerWaalsContact O-CG1 3.3Å; V330-I334 WeakPolarHBondContact O-CG1 3.15Å; V330-I334 PolarHBondContact O-N 3.07Å
331	V	90	Very high	85.4	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.012	32%	0.316	C	S	.	.	H	α-helix	trans	-65.8	-44	179	-178.6	0	0	0	0	110.5	P220 M223 K224 V326 N328 E333 I334 M335	P220-V331 HydrophobicContact CB-CG1 4.06Å; M223-V331 HydrophobicContact CB-CG1 4.07Å; M223-V331 HydrophobicContact CB-CG2 4Å; K224-V331 HydrophobicContact CG-CG2 4.22Å; V326-V331 HydrophobicContact CG1-CG2 4.14Å; N328-V331 PolarHBondContact O-N 3.17Å; V331-E333 PolarHBondContact O-N 3.4Å; V331-I334 PolarHBondContact O-N 3.22Å; V331-M335 VanDerWaalsContact O-CG 3.3Å; V331-M335 WeakPolarHBondContact O-CG 3.28Å; V331-M335 PolarHBondContact O-N 3.48Å
332	E	90.7	Very high	84.4	Confident	124 Å²	124	60.5 Å²	60.5	58%	0.579	31%	0.312	S	S	*	.	H	α-helix	trans	-61.5	-42.6	177.3	-74.5	175.1	-169.4	0	0	112.1	N328 E329 M335 K336	N328-E332 WeakPolarHBondContact O-CB 3.33Å; N328-E332 WeakPolarHBondContact O-CG 3.19Å; N328-E332 PolarHBondContact O-N 2.69Å; E329-E332 PolarHBondContact O-N 2.77Å; E332-M335 PolarHBondContact O-N 3.16Å; E332-K336 WeakPolarHBondContact O-CB 3.19Å; E332-K336 PolarHBondContact O-N 3.47Å
333	E	91.6	Very high	82.7	Confident	56 Å²	56	65.8 Å²	65.8	26%	0.262	35%	0.349	S	S	.	.	H	α-helix	trans	-66.5	-39	175.7	-79.3	-70.7	130.6	0	0	112	L236 R240 E329 V330 V331 M335 K336 E337	L236-E333 HydrophobicContact CD1-CB 4Å; L236-E333 HydrophobicContact CD2-CB 3.85Å; R240-E333 IonicContact CZ-OE2 3.91Å; R240-E333 IonicContact NH2-OE2 3.18Å; R240-E333 PolarHBondContact NH2-OE2 3.29Å; E329-E333 WeakPolarHBondContact O-CB 3.17Å; E329-E333 WeakPolarHBondContact O-CG 3.27Å; E329-E333 PolarHBondContact O-N 2.88Å; V330-E333 PolarHBondContact O-N 3.22Å; V331-E333 PolarHBondContact O-N 3.4Å; E333-M335 VanDerWaalsContact C-N 3.33Å; E333-M335 PolarHBondContact O-N 3.47Å; E333-K336 PolarHBondContact O-N 3.27Å; E333-K336 WeakPolarHBondContact OE1-CD 3.3Å; E333-K336 IonicContact OE1-NZ 2.7Å; E333-K336 PolarHBondContact OE1-NZ 3.3Å; E333-E337 VanDerWaalsContact O-CG 3.3Å; E333-E337 WeakPolarHBondContact O-CG 3.38Å; E333-E337 PolarHBondContact O-N 3.28Å
334	I	89.8	Confident	82.8	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-57.8	-48.7	171.3	-71.4	167.6	0	0	0	110	M223 L232 V235 L236 L239 V330 V331 K336 E337 V338	M223-I334 HydrophobicContact CE-CG2 4.37Å; M223-I334 HydrophobicContact SD-CD1 4.46Å; M223-I334 HydrophobicContact SD-CG2 4.22Å; L232-I334 HydrophobicContact CB-CD1 4.1Å; L232-I334 HydrophobicContact CD2-CD1 4.3Å; V235-I334 HydrophobicContact CG1-CD1 4.26Å; L236-I334 HydrophobicContact CB-CD1 4.46Å; L236-I334 HydrophobicContact CB-CG1 3.81Å; L236-I334 HydrophobicContact CD1-CG1 4.09Å; L236-I334 HydrophobicContact CG-CG1 4.45Å; L239-I334 HydrophobicContact CD1-CG2 3.85Å; V330-I334 HydrophobicContact CG1-CD1 4.15Å; V330-I334 VanDerWaalsContact O-CG1 3.3Å; V330-I334 WeakPolarHBondContact O-CG1 3.15Å; V330-I334 PolarHBondContact O-N 3.07Å; V331-I334 PolarHBondContact O-N 3.22Å; I334-K336 VanDerWaalsContact C-N 3.31Å; I334-K336 PolarHBondContact O-N 2.93Å; I334-E337 PolarHBondContact O-N 2.89Å; I334-E337 VanDerWaalsContact O-N 3.17Å; I334-V338 HydrophobicContact CG2-CG2 4.23Å; I334-V338 WeakPolarHBondContact O-CB 3.37Å; I334-V338 VanDerWaalsContact O-CG2 3.25Å; I334-V338 WeakPolarHBondContact O-CG2 3.31Å; I334-V338 PolarHBondContact O-N 3.36Å
335	M	90.6	Very high	82.7	Confident	48 Å²	48	63.1 Å²	63.1	24%	0.236	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-36.4	-178.2	-68.2	-51	-60.7	0	0	112.5	L214 P220 V331 E332 E333 S339	L214-M335 WeakPolarHBondContact O-CE 3.18Å; P220-M335 HydrophobicContact CB-CG 4.21Å; P220-M335 HydrophobicContact CB-SD 4.42Å; P220-M335 HydrophobicContact CG-CE 3.77Å; P220-M335 HydrophobicContact CG-CG 3.93Å; P220-M335 HydrophobicContact CG-SD 3.71Å; V331-M335 VanDerWaalsContact O-CG 3.3Å; V331-M335 WeakPolarHBondContact O-CG 3.28Å; V331-M335 PolarHBondContact O-N 3.48Å; E332-M335 PolarHBondContact O-N 3.16Å; E333-M335 VanDerWaalsContact C-N 3.33Å; E333-M335 PolarHBondContact O-N 3.47Å; M335-S339 WeakPolarHBondContact O-CB 3.15Å; M335-S339 PolarHBondContact O-N 2.95Å
336	K	89.6	Confident	82.7	Confident	97 Å²	97	63.3 Å²	63.3	42%	0.422	32%	0.322	S	S	.	.	H	α-helix	trans	-63.7	-44.2	172.8	-178	-177.5	178.4	-177.9	0	111.5	E332 E333 I334 S339 K340	E332-K336 WeakPolarHBondContact O-CB 3.19Å; E332-K336 PolarHBondContact O-N 3.47Å; E333-K336 PolarHBondContact O-N 3.27Å; E333-K336 WeakPolarHBondContact OE1-CD 3.3Å; E333-K336 IonicContact OE1-NZ 2.7Å; E333-K336 PolarHBondContact OE1-NZ 3.3Å; I334-K336 VanDerWaalsContact C-N 3.31Å; I334-K336 PolarHBondContact O-N 2.93Å; K336-S339 PolarHBondContact O-N 3.13Å; K336-S339 PolarHBondContact O-OG 3.45Å; K336-K340 WeakPolarHBondContact O-CG 3.45Å; K336-K340 PolarHBondContact O-N 2.93Å
337	E	84.1	Confident	82.6	Confident	3 Å²	3	66.5 Å²	66.5	1%	0.014	34%	0.338	C	S	.	.	H	α-helix	trans	-64.2	-44.8	176.4	-68.6	-56.8	119.3	0	0	111.9	L236 L239 R240 R243 E333 I334 S339 K340 M341	L236-E337 HydrophobicContact CD1-CG 3.85Å; L239-E337 HydrophobicContact CB-CB 4.25Å; R240-E337 HydrophobicContact CG-CG 3.97Å; R243-E337 IonicContact CZ-OE1 2.57Å; R243-E337 IonicContact CZ-OE2 2.99Å; R243-E337 IonicContact NE-OE2 3.93Å; R243-E337 IonicContact NH1-OE1 2.81Å; R243-E337 PolarHBondContact NH1-OE1 3.29Å; R243-E337 IonicContact NH1-OE2 2.76Å; R243-E337 PolarHBondContact NH1-OE2 3.17Å; R243-E337 IonicContact NH2-OE1 3.88Å; R243-E337 IonicContact NH2-OE2 2.84Å; R243-E337 PolarHBondContact NH2-OE2 2.67Å; E333-E337 VanDerWaalsContact O-CG 3.3Å; E333-E337 WeakPolarHBondContact O-CG 3.38Å; E333-E337 PolarHBondContact O-N 3.28Å; I334-E337 PolarHBondContact O-N 2.89Å; I334-E337 VanDerWaalsContact O-N 3.17Å; E337-S339 VanDerWaalsContact C-N 3.3Å; E337-S339 PolarHBondContact O-N 2.63Å; E337-K340 PolarHBondContact O-N 3.47Å; E337-K340 IonicContact OE1-NZ 3.13Å; E337-K340 PolarHBondContact OE1-NZ 3.04Å; E337-M341 WeakPolarHBondContact O-CG 3.21Å; E337-M341 PolarHBondContact O-N 3.48Å
338	V	83.5	Confident	82.5	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-60.1	-39.2	174.7	169.8	0	0	0	0	111.7	I211 L214 Q215 L239 I334 K340 M341	I211-V338 HydrophobicContact CD1-CG2 4.46Å; I211-V338 HydrophobicContact CG2-CG1 4.25Å; L214-V338 HydrophobicContact CB-CG1 4Å; L214-V338 HydrophobicContact CB-CG2 3.84Å; L214-V338 HydrophobicContact CD1-CG2 3.73Å; L214-V338 HydrophobicContact CG-CG2 4.4Å; Q215-V338 HydrophobicContact CG-CG1 3.51Å; L239-V338 HydrophobicContact CD1-CG2 3.96Å; I334-V338 HydrophobicContact CG2-CG2 4.23Å; I334-V338 WeakPolarHBondContact O-CB 3.37Å; I334-V338 VanDerWaalsContact O-CG2 3.25Å; I334-V338 WeakPolarHBondContact O-CG2 3.31Å; I334-V338 PolarHBondContact O-N 3.36Å; V338-K340 VanDerWaalsContact C-N 3.32Å; V338-K340 PolarHBondContact O-N 2.92Å; V338-M341 PolarHBondContact O-N 3.45Å
339	S	83.7	Confident	82.3	Confident	65 Å²	65	65.3 Å²	65.3	46%	0.455	33%	0.329	S	S	.	.	H	α-helix	trans	-65.2	-34.8	179.2	76.4	0	0	0	0	112.9	M335 K336 E337 M341 K342	M335-S339 WeakPolarHBondContact O-CB 3.15Å; M335-S339 PolarHBondContact O-N 2.95Å; K336-S339 PolarHBondContact O-N 3.13Å; K336-S339 PolarHBondContact O-OG 3.45Å; E337-S339 VanDerWaalsContact C-N 3.3Å; E337-S339 PolarHBondContact O-N 2.63Å; S339-M341 PolarHBondContact O-N 2.85Å; S339-K342 WeakPolarHBondContact O-CB 3.4Å; S339-K342 PolarHBondContact O-N 2.89Å
340	K	79	Confident	81.8	Confident	79 Å²	79	60.8 Å²	60.8	34%	0.343	31%	0.31	S	S	.	.	H	α-helix	trans	-71.8	-16.2	176.9	-66.9	167.3	-176.9	170.9	0	113	K336 E337 V338 K342 T343	K336-K340 WeakPolarHBondContact O-CG 3.45Å; K336-K340 PolarHBondContact O-N 2.93Å; E337-K340 PolarHBondContact O-N 3.47Å; E337-K340 IonicContact OE1-NZ 3.13Å; E337-K340 PolarHBondContact OE1-NZ 3.04Å; V338-K340 VanDerWaalsContact C-N 3.32Å; V338-K340 PolarHBondContact O-N 2.92Å; K340-K342 VanDerWaalsContact C-N 3.31Å; K340-T343 PolarHBondContact O-OG1 2.9Å
341	M	71.3	Confident	81.3	Confident	23 Å²	23	63.3 Å²	63.3	11%	0.113	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	2.1	176.5	-61.4	176	-174.6	0	0	112.7	I211 L239 F242 R243 E337 V338 S339	I211-M341 HydrophobicContact CD1-SD 3.57Å; I211-M341 VanDerWaalsContact CD1-SD 3.57Å; I211-M341 HydrophobicContact CG1-SD 4.26Å; L239-M341 HydrophobicContact CB-CE 3.99Å; L239-M341 HydrophobicContact CD2-CE 3.86Å; L239-M341 HydrophobicContact CD2-SD 4.1Å; L239-M341 WeakPolarHBondContact O-CE 3.42Å; F242-M341 HydrophobicContact CD1-CE 3.99Å; F242-M341 HydrophobicContact CD1-SD 4.2Å; R243-M341 HydrophobicContact CB-CE 4.13Å; E337-M341 WeakPolarHBondContact O-CG 3.21Å; E337-M341 PolarHBondContact O-N 3.48Å; V338-M341 PolarHBondContact O-N 3.45Å; S339-M341 PolarHBondContact O-N 2.85Å
342	K	63.6	Low	80.6	Confident	152 Å²	152	68.4 Å²	68.4	66%	0.661	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-27.4	168.3	-84.7	-169.8	169.6	-177.6	0	113.3	S339 K340	S339-K342 WeakPolarHBondContact O-CB 3.4Å; S339-K342 PolarHBondContact O-N 2.89Å; K340-K342 VanDerWaalsContact C-N 3.31Å
343	T	49.8	Very low	79.7	Confident	173 Å²	173	63.4 Å²	63.4	100%	1.061	33%	0.325	S	S	*	.			trans	-96.4	0	-177.4	51.5	0	0	0	0	110.1	K340	K340-T343 PolarHBondContact O-OG1 2.9Å

Retrieved 343 of 343 residues in 99.2 ms (Link to these results)

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