A0A077ZHI2_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077ZHI2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 486 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.9	Very low	31.2	Very low	242 Å²	242	166.4 Å²	166.4	100%	1.192	85%	0.845	S	S	*	*				0	134.9	0	-82.9	-164.2	174.3	0	0	107.9
2	L	32.2	Very low	31.2	Very low	180 Å²	180	159 Å²	159	94%	0.942	82%	0.82	S	S	*	*			trans	84	43.4	-172.7	-56	172.2	0	0	0	117.3
3	D	28.5	Very low	31	Very low	159 Å²	159	163.5 Å²	163.5	85%	0.85	82%	0.82	S	S	*	*			trans	-87.3	112.1	144.4	-87.7	-40.4	0	0	0	108.4
4	R	32.1	Very low	30.9	Very low	248 Å²	248	161.5 Å²	161.5	94%	0.936	81%	0.812	S	S	*	*			trans	169.8	85.7	155.8	-95.8	168.3	-145.8	-122.3	7.9	109.6
5	C	29.2	Very low	30.9	Very low	113 Å²	113	158.7 Å²	158.7	76%	0.764	80%	0.799	S	S	*	*			trans	-133.6	97.8	157.3	-155.6	0	0	0	0	109.8	S7	C5-S7 PolarHBondContact O-N 3.38Å; C5-S7 VanDerWaalsContact O-N 3.13Å
6	P	29.9	Very low	30.7	Very low	130 Å²	130	157.2 Å²	157.2	84%	0.844	79%	0.794	S	S	*	*			trans	-85	78.5	-179.1	33.5	-30.9	0	0	0	110
7	S	32.5	Very low	30.8	Very low	95 Å²	95	156.3 Å²	156.3	66%	0.664	79%	0.788	S	S	*	*			trans	-104.4	0.8	176	62.8	0	0	0	0	114.7	C5	C5-S7 PolarHBondContact O-N 3.38Å; C5-S7 VanDerWaalsContact O-N 3.13Å
8	R	31.7	Very low	30.8	Very low	239 Å²	239	153.1 Å²	153.1	90%	0.902	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	3.8	-176.1	-84.3	-172.2	176.8	-170.5	0.2	117.3
9	R	31.2	Very low	30.6	Very low	230 Å²	230	152.8 Å²	152.8	87%	0.868	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-3.1	-178.4	-88.3	-172.5	-177.2	178.7	2.1	117
10	V	32.3	Very low	30.6	Very low	124 Å²	124	148.6 Å²	148.6	75%	0.752	77%	0.768	S	S	*	*	S	Bend	trans	-94.1	-20.9	179.8	-173.8	0	0	0	0	112.8	S12	V10-S12 PolarHBondContact O-N 2.95Å
11	A	31.5	Very low	30.6	Very low	70 Å²	70	148.2 Å²	148.2	58%	0.579	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-21.1	-177.5	0	0	0	0	0	114.7	R13	A11-R13 PolarHBondContact O-N 3.45Å
12	S	31.4	Very low	30.5	Very low	78 Å²	78	145.9 Å²	145.9	55%	0.545	75%	0.753	S	S	.	*	H	α-helix	trans	-82.3	-9.7	-176.7	61	0	0	0	0	114.9	V10	V10-S12 PolarHBondContact O-N 2.95Å
13	R	28.3	Very low	30.3	Very low	218 Å²	218	144.5 Å²	144.5	82%	0.823	75%	0.745	S	S	*	*	H	α-helix	trans	-84.6	-16.2	176.6	-102.3	-177.8	177.2	176.3	-0.7	114.6	A11	A11-R13 PolarHBondContact O-N 3.45Å
14	L	29.8	Very low	30.3	Very low	135 Å²	135	142.8 Å²	142.8	71%	0.707	74%	0.741	S	S	*	*	H	α-helix	trans	-87	-27.8	178.7	-84.3	156.5	0	0	0	113.1	M17	L14-M17 PolarHBondContact O-N 2.9Å
15	I	30.7	Very low	30.5	Very low	119 Å²	119	137 Å²	137	61%	0.61	74%	0.739	S	S	*	*	H	α-helix	trans	-76.9	-24.2	-177.3	-60.2	174.9	0	0	0	112.1	M17 T18	I15-M17 VanDerWaalsContact C-N 3.25Å; I15-M17 PolarHBondContact O-N 3.11Å; I15-T18 PolarHBondContact O-N 2.93Å; I15-T18 PolarHBondContact O-OG1 2.91Å
16	N	28.7	Very low	30.9	Very low	135 Å²	135	143.1 Å²	143.1	72%	0.722	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-4.7	175.7	-82.4	1.3	0	0	0	114.4
17	M	31.7	Very low	31.5	Very low	142 Å²	142	145.5 Å²	145.5	70%	0.7	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-17.3	173.5	-75.4	-164.6	177.5	0	0	113.8	L14 I15	L14-M17 PolarHBondContact O-N 2.9Å; I15-M17 VanDerWaalsContact C-N 3.25Å; I15-M17 PolarHBondContact O-N 3.11Å
18	T	30.5	Very low	32.1	Very low	98 Å²	98	145.2 Å²	145.2	60%	0.601	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-74.8	-25.9	179	25.2	0	0	0	0	113.5	I15	I15-T18 PolarHBondContact O-N 2.93Å; I15-T18 PolarHBondContact O-OG1 2.91Å
19	N	28.5	Very low	33.2	Very low	149 Å²	149	136 Å²	136	80%	0.797	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-89.7	-3.2	-178.6	-74.7	-7.2	0	0	0	114.8
20	A	29	Very low	35.7	Very low	67 Å²	67	130.5 Å²	130.5	55%	0.554	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-89.8	5.1	178.3	0	0	0	0	0	114.1
21	L	31.2	Very low	38.4	Very low	142 Å²	142	126.7 Å²	126.7	74%	0.743	68%	0.678	S	S	*	*			trans	-99.1	8	-170.9	-70.2	174.2	0	0	0	115.6	L23	L21-L23 PolarHBondContact O-N 3.3Å; L21-L23 VanDerWaalsContact O-N 3.11Å
22	Q	29.2	Very low	41.2	Very low	193 Å²	193	123.4 Å²	123.4	90%	0.902	65%	0.651	S	S	*	*			trans	-84.1	56.8	162.9	-76	-175.3	-4.8	0	0	110.5	T24	Q22-T24 PolarHBondContact O-N 2.69Å
23	L	29.2	Very low	43.9	Very low	151 Å²	151	121.3 Å²	121.3	79%	0.791	64%	0.641	S	S	*	*			trans	-81.6	118	168.3	-80.8	165.6	0	0	0	108.6	L21	L21-L23 PolarHBondContact O-N 3.3Å; L21-L23 VanDerWaalsContact O-N 3.11Å
24	T	28.7	Very low	46.8	Very low	123 Å²	123	112.7 Å²	112.7	76%	0.755	61%	0.613	S	S	*	*			trans	-56.5	146.9	-175.4	50.6	0	0	0	0	112.4	Q22 R26	Q22-T24 PolarHBondContact O-N 2.69Å; T24-R26 PolarHBondContact O-N 2.74Å
25	S	35.1	Very low	49.9	Very low	127 Å²	127	106.8 Å²	106.8	89%	0.888	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	33.1	-164.1	55	0	0	0	0	117.4
26	R	37.6	Very low	52.9	Low	240 Å²	240	105.6 Å²	105.6	91%	0.906	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	-11.8	179.8	-85	-175	173.9	-177.2	-1	117.2	T24	T24-R26 PolarHBondContact O-N 2.74Å
27	E	43.2	Very low	56.1	Low	181 Å²	181	100 Å²	100	85%	0.846	54%	0.542	S	S	*	.			trans	-121.2	70.2	171	-65.9	-173.7	170.3	0	0	108.9	C29	E27-C29 VanDerWaalsContact C-N 3.25Å; E27-C29 PolarHBondContact O-N 3.35Å
28	A	45.3	Very low	59	Low	89 Å²	89	96.2 Å²	96.2	74%	0.736	52%	0.523	S	S	*	.			trans	-55.8	100.4	165.6	0	0	0	0	0	107	Q30	A28-Q30 PolarHBondContact O-N 3.02Å
29	C	54.5	Low	62.1	Low	46 Å²	46	100 Å²	100	31%	0.311	53%	0.526	S	S	.	.			trans	-58.7	103.8	-178.5	-175.1	0	0	0	0	107	E27 F31 K36	E27-C29 VanDerWaalsContact C-N 3.25Å; E27-C29 PolarHBondContact O-N 3.35Å; C29-F31 HydrophobicContact CB-CE2 3.88Å; C29-F31 WeakPolarHBondContact O-CD2 3.35Å; C29-F31 WeakPolarHBondContact O-CE2 3.21Å; C29-F31 VanDerWaalsContact SG-CE2 3.51Å; C29-K36 WeakPolarHBondContact SG-CD 3.4Å; C29-K36 WeakPolarHBondContact SG-CE 3.42Å; C29-K36 VanDerWaalsContact SG-CG 3.54Å
30	Q	83.2	Confident	65.2	Low	114 Å²	114	96.1 Å²	96.1	53%	0.533	51%	0.508	S	S	.	.			trans	-76.8	130.1	-176	-71.8	-179.7	-9.3	0	0	108.9	A28 L37	A28-Q30 PolarHBondContact O-N 3.02Å; Q30-L37 HydrophobicContact CB-CB 4.25Å; Q30-L37 HydrophobicContact CB-CD1 3.86Å; Q30-L37 HydrophobicContact CB-CG 4.29Å; Q30-L37 VanDerWaalsContact O-CB 3.31Å; Q30-L37 WeakPolarHBondContact O-CB 3.42Å; Q30-L37 WeakPolarHBondContact O-CG 3.5Å; Q30-L37 PolarHBondContact O-N 3.28Å
31	F	88.8	Confident	68.1	Low	44 Å²	44	96.2 Å²	96.2	19%	0.193	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	148.1	176.6	-70	-93.6	0	0	0	110.5	C29 Y35 K36 V55 V372	C29-F31 HydrophobicContact CB-CE2 3.88Å; C29-F31 WeakPolarHBondContact O-CD2 3.35Å; C29-F31 WeakPolarHBondContact O-CE2 3.21Å; C29-F31 VanDerWaalsContact SG-CE2 3.51Å; F31-Y35 WeakPolarHBondContact CA-O 3.4Å; F31-K36 HydrophobicContact CD1-CB 4.19Å; F31-K36 HydrophobicContact CE1-CB 3.78Å; F31-K36 HydrophobicContact CE1-CG 4.43Å; F31-K36 HydrophobicContact CZ-CB 4.4Å; F31-V55 HydrophobicContact CD1-CG2 4.28Å; F31-V55 HydrophobicContact CE1-CG2 3.73Å; F31-V372 HydrophobicContact CD1-CG2 4.19Å; F31-V372 HydrophobicContact CD2-CG1 4.12Å; F31-V372 HydrophobicContact CE1-CG2 4.23Å; F31-V372 HydrophobicContact CE2-CG1 3.94Å; F31-V372 HydrophobicContact CZ-CG1 4.15Å
32	V	89.9	Confident	70.7	Confident	1 Å²	1	90.9 Å²	90.9	1%	0.006	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	103.7	166.7	178.1	0	0	0	0	105.7	Y35 L37 Y101 Y108 P382	V32-Y35 PolarHBondContact N-O 3.13Å; V32-Y35 WeakPolarHBondContact O-CB 3.42Å; V32-Y35 VanDerWaalsContact O-CD2 3.31Å; V32-Y35 WeakPolarHBondContact O-CD2 3.47Å; V32-Y35 PolarHBondContact O-N 3.38Å; V32-L37 HydrophobicContact CG2-CD1 3.98Å; V32-L37 HydrophobicContact CG2-CD2 3.98Å; V32-L37 HydrophobicContact CG2-CG 4.12Å; V32-Y101 HydrophobicContact CG1-CD1 4.14Å; V32-Y101 HydrophobicContact CG1-CD2 3.86Å; V32-Y101 HydrophobicContact CG1-CG 3.61Å; V32-Y108 HydrophobicContact CB-CD1 4.45Å; V32-Y108 HydrophobicContact CG1-CD1 4.08Å; V32-Y108 HydrophobicContact CG1-CD2 4.4Å; V32-Y108 HydrophobicContact CG1-CG 3.86Å; V32-Y108 HydrophobicContact CG2-CD1 3.49Å; V32-Y108 VanDerWaalsContact CG2-CD1 3.49Å; V32-Y108 HydrophobicContact CG2-CE1 3.65Å; V32-Y108 HydrophobicContact CG2-CG 4.13Å; V32-P382 HydrophobicContact CG1-CB 4.08Å; V32-P382 HydrophobicContact CG2-CG 4.36Å
33	G	88.6	Confident	73.3	Confident	33 Å²	33	90.5 Å²	90.5	34%	0.34	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	-130	-168.4	0	0	0	0	0	112.1	Y35 Y101	G33-Y35 PolarHBondContact O-N 2.95Å; G33-Y101 VanDerWaalsContact CA-CE1 3.5Å
34	P	90.4	Very high	75.3	Confident	37 Å²	37	85.6 Å²	85.6	24%	0.24	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	7.8	179.4	36	-36.5	0	0	0	113.7	H54 V55 Y101	P34-H54 WeakPolarHBondContact CG-NE2 3.49Å; P34-H54 WeakPolarHBondContact O-CA 3.45Å; P34-V55 WeakPolarHBondContact O-CG2 3.23Å; P34-V55 PolarHBondContact O-N 2.92Å; P34-Y101 WeakPolarHBondContact CD-OH 3.46Å
35	Y	93.7	Very high	77.4	Confident	11 Å²	11	89.6 Å²	89.6	4%	0.043	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.6	-175.5	-55.6	-85.2	0	0	0	111.3	F31 V32 G33 T53 H54 V61 I63 D99 Y101 V110	F31-Y35 WeakPolarHBondContact CA-O 3.4Å; V32-Y35 PolarHBondContact N-O 3.13Å; V32-Y35 WeakPolarHBondContact O-CB 3.42Å; V32-Y35 VanDerWaalsContact O-CD2 3.31Å; V32-Y35 WeakPolarHBondContact O-CD2 3.47Å; V32-Y35 PolarHBondContact O-N 3.38Å; G33-Y35 PolarHBondContact O-N 2.95Å; Y35-T53 WeakPolarHBondContact CA-O 3.33Å; Y35-H54 HydrophobicContact CD1-CB 3.73Å; Y35-H54 HydrophobicContact CE1-CB 3.68Å; Y35-H54 AromaticContact CE1-CD2 3.44Å; Y35-H54 VanDerWaalsContact CE1-CD2 3.44Å; Y35-H54 WeakPolarHBondContact CE1-CD2 3.38Å; Y35-H54 AromaticContact CE1-CG 3.97Å; Y35-H54 AromaticContact CZ-CD2 3.59Å; Y35-V61 HydrophobicContact CD1-CB 4.46Å; Y35-V61 HydrophobicContact CD1-CG1 4.22Å; Y35-V61 HydrophobicContact CD1-CG2 3.43Å; Y35-V61 VanDerWaalsContact CD1-CG2 3.43Å; Y35-V61 HydrophobicContact CE1-CB 4.36Å; Y35-V61 HydrophobicContact CE1-CG1 3.71Å; Y35-V61 HydrophobicContact CE1-CG2 3.77Å; Y35-V61 HydrophobicContact CG-CG2 4.2Å; Y35-I63 HydrophobicContact CG-CD1 4.28Å; Y35-D99 PolarHBondContact OH-OD2 2.91Å; Y35-Y101 HydrophobicContact CD2-CE2 4.34Å; Y35-Y101 HydrophobicContact CE2-CE2 4.04Å; Y35-V110 HydrophobicContact CD1-CG1 4.42Å; Y35-V110 HydrophobicContact CD2-CG1 4.37Å; Y35-V110 HydrophobicContact CD2-CG2 4.18Å; Y35-V110 HydrophobicContact CE1-CG1 3.88Å; Y35-V110 HydrophobicContact CE2-CB 4.48Å; Y35-V110 HydrophobicContact CE2-CG1 3.88Å; Y35-V110 HydrophobicContact CE2-CG2 3.99Å
36	K	94.7	Very high	79.3	Confident	95 Å²	95	85.2 Å²	85.2	41%	0.413	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.8	168.5	172.1	167.7	174	170.8	0	109.3	C29 F31 G52 T53 V55	C29-K36 WeakPolarHBondContact SG-CD 3.4Å; C29-K36 WeakPolarHBondContact SG-CE 3.42Å; C29-K36 VanDerWaalsContact SG-CG 3.54Å; F31-K36 HydrophobicContact CD1-CB 4.19Å; F31-K36 HydrophobicContact CE1-CB 3.78Å; F31-K36 HydrophobicContact CE1-CG 4.43Å; F31-K36 HydrophobicContact CZ-CB 4.4Å; K36-G52 CarbonylContact O-C 3.6Å; K36-G52 VanDerWaalsContact O-CA 3.26Å; K36-G52 WeakPolarHBondContact O-CA 3.49Å; K36-T53 PolarHBondContact N-O 3.04Å; K36-T53 PolarHBondContact O-N 3.12Å; K36-V55 HydrophobicContact CB-CG2 4.37Å
37	L	94.7	Very high	81.5	Confident	17 Å²	17	74.9 Å²	74.9	9%	0.089	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	136.3	174.6	-60.6	-173	0	0	0	110.8	Q30 V32 K50 I63 I65	Q30-L37 HydrophobicContact CB-CB 4.25Å; Q30-L37 HydrophobicContact CB-CD1 3.86Å; Q30-L37 HydrophobicContact CB-CG 4.29Å; Q30-L37 VanDerWaalsContact O-CB 3.31Å; Q30-L37 WeakPolarHBondContact O-CB 3.42Å; Q30-L37 WeakPolarHBondContact O-CG 3.5Å; Q30-L37 PolarHBondContact O-N 3.28Å; V32-L37 HydrophobicContact CG2-CD1 3.98Å; V32-L37 HydrophobicContact CG2-CD2 3.98Å; V32-L37 HydrophobicContact CG2-CG 4.12Å; L37-K50 HydrophobicContact CB-CD 4.45Å; L37-K50 HydrophobicContact CD1-CD 4.42Å; L37-I63 HydrophobicContact CD2-CB 4.28Å; L37-I63 HydrophobicContact CD2-CD1 3.42Å; L37-I63 VanDerWaalsContact CD2-CD1 3.42Å; L37-I63 HydrophobicContact CD2-CG1 4.41Å; L37-I63 HydrophobicContact CD2-CG2 4.29Å; L37-I65 HydrophobicContact CD1-CD1 4.2Å
38	E	94.2	Very high	83.8	Confident	62 Å²	62	68.4 Å²	68.4	29%	0.29	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-145.1	179.3	-60.1	-177.6	173.9	0	0	110.2	L51 T53 K60	E38-L51 HydrophobicContact CB-CB 4.18Å; E38-L51 HydrophobicContact CB-CG 4.41Å; E38-L51 PolarHBondContact N-O 3.34Å; E38-L51 WeakPolarHBondContact OE2-CD2 3.25Å; E38-T53 VanDerWaalsContact CD-OG1 3.25Å; E38-T53 PolarHBondContact OE1-OG1 3.29Å; E38-K60 IonicContact OE1-NZ 3.54Å; E38-K60 PolarHBondContact OE1-NZ 2.92Å; E38-K60 IonicContact OE2-NZ 2.71Å; E38-K60 PolarHBondContact OE2-NZ 2.9Å
39	R	93.7	Very high	86.1	Confident	179 Å²	179	65.9 Å²	65.9	68%	0.675	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	154.3	-179.6	66.3	-177.2	-178.3	132.5	0.9	112.7	L51	R39-L51 HydrophobicContact CG-CB 4.37Å; R39-L51 HydrophobicContact CG-CD2 4.45Å; R39-L51 PolarHBondContact O-N 2.77Å
40	T	93.9	Very high	88.1	Confident	67 Å²	67	65.7 Å²	65.7	41%	0.411	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	131.8	170	-60.4	0	0	0	0	110	L48	T40-L48 HydrophobicContact CG2-CD1 3.45Å; T40-L48 VanDerWaalsContact CG2-CD1 3.45Å; T40-L48 HydrophobicContact CG2-CG 4.04Å
41	L	90.5	Very high	88.7	Confident	68 Å²	68	60.8 Å²	60.8	36%	0.356	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-36.3	172.4	-64.7	174.7	0	0	0	111.3	V49 L51 A62	L41-V49 HydrophobicContact CB-CG1 4.37Å; L41-V49 HydrophobicContact CD1-CG1 4.42Å; L41-V49 PolarHBondContact N-O 3.4Å; L41-L51 HydrophobicContact CD1-CB 4.05Å; L41-L51 HydrophobicContact CD1-CD1 4.31Å; L41-L51 HydrophobicContact CD2-CB 4.02Å; L41-L51 HydrophobicContact CG-CB 3.96Å; L41-A62 HydrophobicContact CD1-CB 4.12Å
42	G	86.5	Confident	89.1	Confident	30 Å²	30	58.7 Å²	58.7	31%	0.309	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	172.1	179.5	0	0	0	0	0	113.5	V49	G42-V49 PolarHBondContact N-O 2.87Å; G42-V49 PolarHBondContact O-N 3.31Å
43	K	84	Confident	89.4	Confident	185 Å²	185	59.6 Å²	59.6	80%	0.804	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	113	171.5	-71.9	176	-177.9	177.1	0	107.6	L48	K43-L48 HydrophobicContact CG-CD1 3.6Å
44	G	70.2	Confident	89.6	Confident	48 Å²	48	58.5 Å²	58.5	50%	0.495	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	177.3	174.6	0	0	0	0	0	111.8	T46 G47	G44-T46 VanDerWaalsContact C-N 3.32Å; G44-T46 PolarHBondContact O-N 3.45Å; G44-G47 PolarHBondContact N-O 2.93Å; G44-G47 PolarHBondContact O-N 3.07Å; G44-G47 VanDerWaalsContact O-O 3.12Å
45	Q	72.8	Confident	89.6	Confident	207 Å²	207	59.8 Å²	59.8	97%	0.967	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-40.2	-179.9	-69	-177.3	-16.6	0	0	113.2
46	T	76	Confident	89.3	Confident	36 Å²	36	62.1 Å²	62.1	22%	0.221	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-8.9	-176	53.6	0	0	0	0	113.9	G44 K64 V79	G44-T46 VanDerWaalsContact C-N 3.32Å; G44-T46 PolarHBondContact O-N 3.45Å; T46-K64 WeakPolarHBondContact OG1-CE 3.46Å; T46-V79 HydrophobicContact CG2-CG2 4.47Å
47	G	83.7	Confident	89	Confident	23 Å²	23	60.3 Å²	60.3	24%	0.237	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.3	-163.9	-176.4	0	0	0	0	0	116.4	G44 I65	G44-G47 PolarHBondContact N-O 2.93Å; G44-G47 PolarHBondContact O-N 3.07Å; G44-G47 VanDerWaalsContact O-O 3.12Å; G47-I65 VanDerWaalsContact CA-O 3.31Å; G47-I65 WeakPolarHBondContact CA-O 3.41Å
48	L	91.4	Very high	88.8	Confident	45 Å²	45	61.7 Å²	61.7	24%	0.236	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	140.3	-177.1	-170.6	80.2	0	0	0	110	T40 K43 K50 I65	T40-L48 HydrophobicContact CG2-CD1 3.45Å; T40-L48 VanDerWaalsContact CG2-CD1 3.45Å; T40-L48 HydrophobicContact CG2-CG 4.04Å; K43-L48 HydrophobicContact CG-CD1 3.6Å; L48-K50 HydrophobicContact CD2-CD 4.02Å; L48-K50 VanDerWaalsContact CD2-CE 3.42Å; L48-K50 HydrophobicContact CD2-CG 3.67Å; L48-K50 HydrophobicContact CG-CG 4.26Å; L48-I65 PolarHBondContact N-O 2.95Å; L48-I65 PolarHBondContact O-N 3.31Å
49	V	93.4	Very high	88.8	Confident	36 Å²	36	63.8 Å²	63.8	22%	0.218	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.7	169.1	-172.8	0	0	0	0	109	L41 G42 A62 I63 K64	L41-V49 HydrophobicContact CB-CG1 4.37Å; L41-V49 HydrophobicContact CD1-CG1 4.42Å; L41-V49 PolarHBondContact N-O 3.4Å; G42-V49 PolarHBondContact N-O 2.87Å; G42-V49 PolarHBondContact O-N 3.31Å; V49-A62 HydrophobicContact CG1-CB 4.06Å; V49-I63 WeakPolarHBondContact CA-O 3.32Å; V49-K64 HydrophobicContact CG2-CB 4.28Å; V49-K64 HydrophobicContact CG2-CG 4.27Å
50	K	95.7	Very high	88.9	Confident	42 Å²	42	59.3 Å²	59.3	18%	0.183	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	150.6	176	-71.9	-164.8	165.3	-156.3	0	111.6	L37 L48 A62 I63 I65	L37-K50 HydrophobicContact CB-CD 4.45Å; L37-K50 HydrophobicContact CD1-CD 4.42Å; L48-K50 HydrophobicContact CD2-CD 4.02Å; L48-K50 VanDerWaalsContact CD2-CE 3.42Å; L48-K50 HydrophobicContact CD2-CG 3.67Å; L48-K50 HydrophobicContact CG-CG 4.26Å; K50-A62 CarbonylContact O-C 3.47Å; K50-I63 PolarHBondContact N-O 3.35Å; K50-I63 PolarHBondContact O-N 2.93Å; K50-I65 HydrophobicContact CD-CD1 4.07Å; K50-I65 HydrophobicContact CG-CD1 4.18Å
51	L	96.3	Very high	89.1	Confident	10 Å²	10	56.1 Å²	56.1	5%	0.052	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	137.8	165	-175.7	62	0	0	0	108.5	E38 R39 L41 K60	E38-L51 HydrophobicContact CB-CB 4.18Å; E38-L51 HydrophobicContact CB-CG 4.41Å; E38-L51 PolarHBondContact N-O 3.34Å; E38-L51 WeakPolarHBondContact OE2-CD2 3.25Å; R39-L51 HydrophobicContact CG-CB 4.37Å; R39-L51 HydrophobicContact CG-CD2 4.45Å; R39-L51 PolarHBondContact O-N 2.77Å; L41-L51 HydrophobicContact CD1-CB 4.05Å; L41-L51 HydrophobicContact CD1-CD1 4.31Å; L41-L51 HydrophobicContact CD2-CB 4.02Å; L41-L51 HydrophobicContact CG-CB 3.96Å; L51-K60 HydrophobicContact CD1-CB 4.19Å; L51-K60 HydrophobicContact CD1-CD 4.1Å; L51-K60 HydrophobicContact CD1-CG 4.49Å; L51-K60 HydrophobicContact CD2-CD 4.42Å; L51-K60 HydrophobicContact CG-CD 4.34Å
52	G	96.4	Very high	89.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.5	172.3	0	0	0	0	0	111	K36 K60 V61	K36-G52 CarbonylContact O-C 3.6Å; K36-G52 VanDerWaalsContact O-CA 3.26Å; K36-G52 WeakPolarHBondContact O-CA 3.49Å; G52-K60 CarbonylContact O-C 3.3Å; G52-K60 WeakPolarHBondContact O-CA 3.49Å; G52-V61 PolarHBondContact N-O 3.35Å; G52-V61 WeakPolarHBondContact O-CG2 3.42Å; G52-V61 PolarHBondContact O-N 3.07Å
53	T	95.8	Very high	89.8	Confident	21 Å²	21	52 Å²	52	13%	0.129	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.7	173.6	-56.8	0	0	0	0	109.3	Y35 K36 E38 V55 R59 K60	Y35-T53 WeakPolarHBondContact CA-O 3.33Å; K36-T53 PolarHBondContact N-O 3.04Å; K36-T53 PolarHBondContact O-N 3.12Å; E38-T53 VanDerWaalsContact CD-OG1 3.25Å; E38-T53 PolarHBondContact OE1-OG1 3.29Å; T53-V55 PolarHBondContact O-N 3.22Å; T53-R59 WeakPolarHBondContact CA-O 3.47Å; T53-K60 HydrophobicContact CG2-CD 4.46Å; T53-K60 VanDerWaalsContact OG1-CD 3.3Å; T53-K60 WeakPolarHBondContact OG1-CD 3.2Å; T53-K60 WeakPolarHBondContact OG1-CE 3.14Å; T53-K60 PolarHBondContact OG1-NZ 3.47Å
54	H	92.5	Very high	90.3	Very high	9 Å²	9	44.5 Å²	44.5	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	124.6	173.3	-172.4	-67.9	0	0	0	109.5	P34 Y35 S56 N57 G58 R59	P34-H54 WeakPolarHBondContact CG-NE2 3.49Å; P34-H54 WeakPolarHBondContact O-CA 3.45Å; Y35-H54 HydrophobicContact CD1-CB 3.73Å; Y35-H54 HydrophobicContact CE1-CB 3.68Å; Y35-H54 AromaticContact CE1-CD2 3.44Å; Y35-H54 VanDerWaalsContact CE1-CD2 3.44Å; Y35-H54 WeakPolarHBondContact CE1-CD2 3.38Å; Y35-H54 AromaticContact CE1-CG 3.97Å; Y35-H54 AromaticContact CZ-CD2 3.59Å; H54-S56 PolarHBondContact CE1-OG 3.41Å; H54-S56 PolarHBondContact ND1-OG 2.85Å; H54-S56 PolarHBondContact O-N 2.87Å; H54-N57 WeakPolarHBondContact CB-OD1 3.3Å; H54-N57 PolarHBondContact ND1-ND2 2.96Å; H54-N57 PolarHBondContact ND1-OD1 3.02Å; H54-N57 PolarHBondContact O-OD1 3.46Å; H54-G58 VanDerWaalsContact O-CA 3.31Å; H54-G58 WeakPolarHBondContact O-CA 3.41Å; H54-G58 PolarHBondContact O-N 3.13Å; H54-R59 HydrophobicContact CB-CB 4.28Å; H54-R59 PolarHBondContact N-O 3.48Å
55	V	90.4	Very high	91.5	Very high	65 Å²	65	43.1 Å²	43.1	39%	0.394	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-37.5	-164.1	172.6	0	0	0	0	112.8	F31 P34 K36 T53 V370	F31-V55 HydrophobicContact CD1-CG2 4.28Å; F31-V55 HydrophobicContact CE1-CG2 3.73Å; P34-V55 WeakPolarHBondContact O-CG2 3.23Å; P34-V55 PolarHBondContact O-N 2.92Å; K36-V55 HydrophobicContact CB-CG2 4.37Å; T53-V55 PolarHBondContact O-N 3.22Å; V55-V370 HydrophobicContact CG1-CG1 4.36Å
56	S	87.9	Confident	92.4	Very high	60 Å²	60	33.2 Å²	33.2	42%	0.42	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-33.2	-175.1	62.2	0	0	0	0	114.6	H54	H54-S56 PolarHBondContact CE1-OG 3.41Å; H54-S56 PolarHBondContact ND1-OG 2.85Å; H54-S56 PolarHBondContact O-N 2.87Å
57	N	88.6	Confident	93.2	Very high	57 Å²	57	37 Å²	37	31%	0.305	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-5.6	-171.2	63	18.4	0	0	0	113.1	H54 R59 E365	H54-N57 WeakPolarHBondContact CB-OD1 3.3Å; H54-N57 PolarHBondContact ND1-ND2 2.96Å; H54-N57 PolarHBondContact ND1-OD1 3.02Å; H54-N57 PolarHBondContact O-OD1 3.46Å; N57-R59 PolarHBondContact O-N 3.43Å; N57-R59 VanDerWaalsContact OD1-CB 3.26Å; N57-R59 WeakPolarHBondContact OD1-CB 3.47Å; N57-R59 PolarHBondContact OD1-N 2.86Å; N57-E365 PolarHBondContact ND2-OE2 3.15Å
58	G	91.2	Very high	93.5	Very high	45 Å²	45	37.9 Å²	37.9	46%	0.464	20%	0.197	S	C	.	.			trans	71.2	7	-178.5	0	0	0	0	0	115.4	H54 K60	H54-G58 VanDerWaalsContact O-CA 3.31Å; H54-G58 WeakPolarHBondContact O-CA 3.41Å; H54-G58 PolarHBondContact O-N 3.13Å; G58-K60 PolarHBondContact O-N 3.4Å
59	R	94.1	Very high	93.3	Very high	106 Å²	106	41.2 Å²	41.2	40%	0.4	21%	0.212	S	C	.	.			trans	-65	127.5	-176.8	-175.3	-177.3	-174.7	163.8	8.7	111	T53 H54 N57 Y98	T53-R59 WeakPolarHBondContact CA-O 3.47Å; H54-R59 HydrophobicContact CB-CB 4.28Å; H54-R59 PolarHBondContact N-O 3.48Å; N57-R59 PolarHBondContact O-N 3.43Å; N57-R59 VanDerWaalsContact OD1-CB 3.26Å; N57-R59 WeakPolarHBondContact OD1-CB 3.47Å; N57-R59 PolarHBondContact OD1-N 2.86Å; R59-Y98 PolarHBondContact NH2-OH 2.87Å
60	K	96	Very high	92.9	Very high	85 Å²	85	46.4 Å²	46.4	37%	0.37	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	138.3	172.3	-63.5	-60	-169.9	176.3	0	111.4	E38 L51 G52 T53 G58 H113	E38-K60 IonicContact OE1-NZ 3.54Å; E38-K60 PolarHBondContact OE1-NZ 2.92Å; E38-K60 IonicContact OE2-NZ 2.71Å; E38-K60 PolarHBondContact OE2-NZ 2.9Å; L51-K60 HydrophobicContact CD1-CB 4.19Å; L51-K60 HydrophobicContact CD1-CD 4.1Å; L51-K60 HydrophobicContact CD1-CG 4.49Å; L51-K60 HydrophobicContact CD2-CD 4.42Å; L51-K60 HydrophobicContact CG-CD 4.34Å; G52-K60 CarbonylContact O-C 3.3Å; G52-K60 WeakPolarHBondContact O-CA 3.49Å; T53-K60 HydrophobicContact CG2-CD 4.46Å; T53-K60 VanDerWaalsContact OG1-CD 3.3Å; T53-K60 WeakPolarHBondContact OG1-CD 3.2Å; T53-K60 WeakPolarHBondContact OG1-CE 3.14Å; T53-K60 PolarHBondContact OG1-NZ 3.47Å; G58-K60 PolarHBondContact O-N 3.4Å; K60-H113 HydrophobicContact CB-CB 4.26Å
61	V	96.7	Very high	92.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	156.6	177	-64.8	0	0	0	0	110.2	Y35 G52 I63 Y98 V110 L111	Y35-V61 HydrophobicContact CD1-CB 4.46Å; Y35-V61 HydrophobicContact CD1-CG1 4.22Å; Y35-V61 HydrophobicContact CD1-CG2 3.43Å; Y35-V61 VanDerWaalsContact CD1-CG2 3.43Å; Y35-V61 HydrophobicContact CE1-CB 4.36Å; Y35-V61 HydrophobicContact CE1-CG1 3.71Å; Y35-V61 HydrophobicContact CE1-CG2 3.77Å; Y35-V61 HydrophobicContact CG-CG2 4.2Å; G52-V61 PolarHBondContact N-O 3.35Å; G52-V61 WeakPolarHBondContact O-CG2 3.42Å; G52-V61 PolarHBondContact O-N 3.07Å; V61-I63 HydrophobicContact CG2-CD1 3.94Å; V61-I63 HydrophobicContact CG2-CG1 3.9Å; V61-Y98 HydrophobicContact CG1-CD2 3.89Å; V61-Y98 HydrophobicContact CG1-CE2 4.02Å; V61-V110 HydrophobicContact CB-CG1 3.91Å; V61-V110 HydrophobicContact CG1-CG1 3.99Å; V61-V110 HydrophobicContact CG2-CG1 3.97Å; V61-L111 WeakPolarHBondContact CA-O 3.31Å; V61-L111 WeakPolarHBondContact CB-O 3.35Å
62	A	96.4	Very high	92.2	Very high	12 Å²	12	48.8 Å²	48.8	10%	0.099	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.4	168.1	0	0	0	0	0	108.6	L41 V49 K50 L111	L41-A62 HydrophobicContact CD1-CB 4.12Å; V49-A62 HydrophobicContact CG1-CB 4.06Å; K50-A62 CarbonylContact O-C 3.47Å; A62-L111 HydrophobicContact CB-CB 4.36Å; A62-L111 PolarHBondContact N-O 2.83Å; A62-L111 WeakPolarHBondContact O-CA 3.48Å; A62-L111 WeakPolarHBondContact O-CB 3.49Å; A62-L111 PolarHBondContact O-N 3.11Å
63	I	96.1	Very high	91.8	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	107.6	-177.2	-61.1	170.5	0	0	0	108.3	Y35 L37 V49 K50 V61 I65 Y108 L109 V110	Y35-I63 HydrophobicContact CG-CD1 4.28Å; L37-I63 HydrophobicContact CD2-CB 4.28Å; L37-I63 HydrophobicContact CD2-CD1 3.42Å; L37-I63 VanDerWaalsContact CD2-CD1 3.42Å; L37-I63 HydrophobicContact CD2-CG1 4.41Å; L37-I63 HydrophobicContact CD2-CG2 4.29Å; V49-I63 WeakPolarHBondContact CA-O 3.32Å; K50-I63 PolarHBondContact N-O 3.35Å; K50-I63 PolarHBondContact O-N 2.93Å; V61-I63 HydrophobicContact CG2-CD1 3.94Å; V61-I63 HydrophobicContact CG2-CG1 3.9Å; I63-I65 HydrophobicContact CG2-CG1 4.05Å; I63-Y108 HydrophobicContact CG2-CD1 4.27Å; I63-L109 WeakPolarHBondContact CA-O 3.45Å; I63-V110 HydrophobicContact CG1-CG2 4.44Å
64	K	94.6	Very high	91.4	Very high	27 Å²	27	58.5 Å²	58.5	12%	0.117	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	116	174.7	-175.4	-176.7	-174.8	-174.7	0	108.2	T46 V49 I66 E82 Y108 L109 L111	T46-K64 WeakPolarHBondContact OG1-CE 3.46Å; V49-K64 HydrophobicContact CG2-CB 4.28Å; V49-K64 HydrophobicContact CG2-CG 4.27Å; K64-I66 HydrophobicContact CD-CD1 4.38Å; K64-I66 HydrophobicContact CG-CD1 4.39Å; K64-I66 HydrophobicContact CG-CG1 4.25Å; K64-E82 IonicContact NZ-OE1 3.47Å; K64-E82 PolarHBondContact NZ-OE1 3.31Å; K64-E82 IonicContact NZ-OE2 3.38Å; K64-E82 PolarHBondContact NZ-OE2 3.45Å; K64-Y108 WeakPolarHBondContact O-CA 3.42Å; K64-L109 HydrophobicContact CB-CB 4.26Å; K64-L109 HydrophobicContact CD-CD2 4.49Å; K64-L109 PolarHBondContact N-O 3.28Å; K64-L109 PolarHBondContact O-N 3.01Å; K64-L111 HydrophobicContact CB-CD1 4.03Å
65	I	94.6	Very high	91.2	Very high	19 Å²	19	60 Å²	60	10%	0.097	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.7	-175	-50.9	177.3	0	0	0	108.6	L37 G47 L48 K50 I63 Y106 L107 Y108	L37-I65 HydrophobicContact CD1-CD1 4.2Å; G47-I65 VanDerWaalsContact CA-O 3.31Å; G47-I65 WeakPolarHBondContact CA-O 3.41Å; L48-I65 PolarHBondContact N-O 2.95Å; L48-I65 PolarHBondContact O-N 3.31Å; K50-I65 HydrophobicContact CD-CD1 4.07Å; K50-I65 HydrophobicContact CG-CD1 4.18Å; I63-I65 HydrophobicContact CG2-CG1 4.05Å; I65-Y106 HydrophobicContact CG2-CD1 3.67Å; I65-Y106 HydrophobicContact CG2-CE1 4.28Å; I65-Y106 HydrophobicContact CG2-CG 4.42Å; I65-L107 WeakPolarHBondContact CA-O 3.44Å; I65-Y108 HydrophobicContact CB-CD1 4.41Å; I65-Y108 HydrophobicContact CD1-CD1 4.39Å; I65-Y108 HydrophobicContact CD1-CE1 4.32Å; I65-Y108 HydrophobicContact CG1-CD1 3.89Å; I65-Y108 HydrophobicContact CG1-CE1 4.19Å; I65-Y108 HydrophobicContact CG2-CD1 4.04Å; I65-Y108 HydrophobicContact CG2-CE1 3.78Å
66	I	93.1	Very high	91.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.6	-174	-59.8	172.2	0	0	0	108.8	K64 L71 V79 Y106 L107 L109	K64-I66 HydrophobicContact CD-CD1 4.38Å; K64-I66 HydrophobicContact CG-CD1 4.39Å; K64-I66 HydrophobicContact CG-CG1 4.25Å; I66-L71 HydrophobicContact CG2-CD1 3.37Å; I66-V79 HydrophobicContact CD1-CG1 3.63Å; I66-V79 HydrophobicContact CD1-CG2 4.16Å; I66-Y106 CarbonylContact O-C 3.49Å; I66-Y106 WeakPolarHBondContact O-CA 3.49Å; I66-L107 HydrophobicContact CB-CB 4.22Å; I66-L107 PolarHBondContact N-O 3.43Å; I66-L107 PolarHBondContact O-N 2.88Å; I66-L109 HydrophobicContact CD1-CD1 4.02Å
67	R	91.8	Very high	91.2	Very high	116 Å²	116	60.5 Å²	60.5	44%	0.438	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	105.3	177.6	-76.4	176.2	-170.1	-141.4	8.3	110.2	E69 K70 L71 Y106	R67-E69 PolarHBondContact O-N 2.85Å; R67-K70 HydrophobicContact CB-CB 4.24Å; R67-K70 HydrophobicContact CB-CD 4.48Å; R67-K70 HydrophobicContact CB-CG 4.25Å; R67-K70 PolarHBondContact O-N 3.14Å; R67-L71 WeakPolarHBondContact O-CG 3.08Å; R67-Y106 HydrophobicContact CB-CE1 4.36Å; R67-Y106 HydrophobicContact CG-CD1 3.71Å; R67-Y106 HydrophobicContact CG-CE1 3.19Å
68	K	89.9	Confident	91.2	Very high	40 Å²	40	62.8 Å²	62.8	17%	0.174	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-60.9	-47.4	-176.1	-69.8	-170.2	-73.6	176.7	0	112.8	K70 L71 L76 E102 N103 R104 K105 L107	K68-K70 PolarHBondContact O-N 3.05Å; K68-L71 PolarHBondContact O-N 3.13Å; K68-L76 HydrophobicContact CB-CD2 4.26Å; K68-L76 HydrophobicContact CG-CD2 4.14Å; K68-E102 IonicContact NZ-OE1 3.03Å; K68-E102 PolarHBondContact NZ-OE1 3.38Å; K68-N103 WeakPolarHBondContact CE-O 3.47Å; K68-N103 PolarHBondContact NZ-O 2.98Å; K68-R104 WeakPolarHBondContact CE-O 3.49Å; K68-R104 PolarHBondContact NZ-O 3.34Å; K68-K105 PolarHBondContact N-O 3Å; K68-L107 HydrophobicContact CD-CD1 4.14Å; K68-L107 HydrophobicContact CD-CD2 4.49Å; K68-L107 HydrophobicContact CD-CG 3.87Å; K68-L107 HydrophobicContact CG-CD1 4Å; K68-L107 HydrophobicContact CG-CG 3.88Å
69	E	87.5	Confident	91.3	Very high	116 Å²	116	60.8 Å²	60.8	54%	0.542	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-62.4	-15.2	-176.4	67.1	-171.5	-177.2	0	0	114.6	R67	R67-E69 PolarHBondContact O-N 2.85Å
70	K	85.4	Confident	91.3	Very high	144 Å²	144	57.5 Å²	57.5	63%	0.626	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-99.6	-4.2	179.3	-65.9	-161.7	173.4	-165.5	0	113.5	R67 K68	R67-K70 HydrophobicContact CB-CB 4.24Å; R67-K70 HydrophobicContact CB-CD 4.48Å; R67-K70 HydrophobicContact CB-CG 4.25Å; R67-K70 PolarHBondContact O-N 3.14Å; K68-K70 PolarHBondContact O-N 3.05Å
71	L	86.9	Confident	91.2	Very high	39 Å²	39	56.4 Å²	56.4	20%	0.204	28%	0.278	C	S	.	.	S	Bend	trans	-105.4	139.1	-178	-63.5	-177.9	0	0	0	109.1	I66 R67 K68 V75 L76	I66-L71 HydrophobicContact CG2-CD1 3.37Å; R67-L71 WeakPolarHBondContact O-CG 3.08Å; K68-L71 PolarHBondContact O-N 3.13Å; L71-V75 HydrophobicContact CB-CB 4.3Å; L71-V75 HydrophobicContact CB-CG1 4.41Å; L71-V75 HydrophobicContact CD1-CG1 4.11Å; L71-V75 HydrophobicContact CD2-CG1 3.92Å; L71-V75 HydrophobicContact CG-CG1 4.36Å; L71-L76 HydrophobicContact CB-CD2 3.98Å; L71-L76 HydrophobicContact CB-CG 3.92Å; L71-L76 HydrophobicContact CD1-CD2 3.94Å
72	S	89.4	Confident	91.1	Very high	64 Å²	64	57 Å²	57	45%	0.448	28%	0.28	S	S	.	.			trans	-66.5	157.6	167.9	67.2	0	0	0	0	110.3	T74 V75 L76	S72-T74 PolarHBondContact O-N 3.25Å; S72-T74 PolarHBondContact OG-OG1 3.13Å; S72-V75 PolarHBondContact O-N 3.12Å; S72-V75 WeakPolarHBondContact OG-CG2 3.31Å; S72-L76 PolarHBondContact O-N 2.82Å
73	D	88.6	Confident	91	Very high	129 Å²	129	56.4 Å²	56.4	69%	0.69	28%	0.275	S	S	*	.	H	α-helix	trans	-54.9	-38.2	178.5	-63.9	-35.8	0	0	0	111.8	V75 L76 M77	D73-V75 VanDerWaalsContact C-N 3.31Å; D73-V75 PolarHBondContact O-N 3.25Å; D73-L76 PolarHBondContact O-N 2.85Å; D73-M77 WeakPolarHBondContact O-CG 3.46Å; D73-M77 PolarHBondContact O-N 3Å
74	T	87.4	Confident	91	Very high	95 Å²	95	56.4 Å²	56.4	58%	0.583	28%	0.275	S	S	*	.	H	α-helix	trans	-60.2	-37.3	176.4	64.2	0	0	0	0	113.3	S72 K78	S72-T74 PolarHBondContact O-N 3.25Å; S72-T74 PolarHBondContact OG-OG1 3.13Å; T74-K78 WeakPolarHBondContact O-CG 3.43Å; T74-K78 PolarHBondContact O-N 3.11Å
75	V	88.6	Confident	91.1	Very high	42 Å²	42	55.2 Å²	55.2	26%	0.255	27%	0.27	S	S	.	.	H	α-helix	trans	-78.2	-37	177.8	-178.5	0	0	0	0	110.4	L71 S72 D73 M77 K78 V79	L71-V75 HydrophobicContact CB-CB 4.3Å; L71-V75 HydrophobicContact CB-CG1 4.41Å; L71-V75 HydrophobicContact CD1-CG1 4.11Å; L71-V75 HydrophobicContact CD2-CG1 3.92Å; L71-V75 HydrophobicContact CG-CG1 4.36Å; S72-V75 PolarHBondContact O-N 3.12Å; S72-V75 WeakPolarHBondContact OG-CG2 3.31Å; D73-V75 VanDerWaalsContact C-N 3.31Å; D73-V75 PolarHBondContact O-N 3.25Å; V75-M77 VanDerWaalsContact C-N 3.31Å; V75-M77 PolarHBondContact O-N 2.85Å; V75-K78 WeakPolarHBondContact O-CB 3.25Å; V75-K78 PolarHBondContact O-N 3.48Å; V75-K78 VanDerWaalsContact O-N 3.15Å; V75-V79 WeakPolarHBondContact O-CG2 3.47Å; V75-V79 PolarHBondContact O-N 3.06Å
76	L	89	Confident	91.1	Very high	37 Å²	37	54.6 Å²	54.6	19%	0.194	27%	0.267	C	S	.	.	H	α-helix	trans	-60	-41.8	172.3	-71.5	175	0	0	0	111.6	K68 L71 S72 D73 K78 V79 E80	K68-L76 HydrophobicContact CB-CD2 4.26Å; K68-L76 HydrophobicContact CG-CD2 4.14Å; L71-L76 HydrophobicContact CB-CD2 3.98Å; L71-L76 HydrophobicContact CB-CG 3.92Å; L71-L76 HydrophobicContact CD1-CD2 3.94Å; S72-L76 PolarHBondContact O-N 2.82Å; D73-L76 PolarHBondContact O-N 2.85Å; L76-K78 VanDerWaalsContact C-N 3.3Å; L76-K78 PolarHBondContact O-N 3.41Å; L76-V79 PolarHBondContact O-N 3.49Å; L76-V79 VanDerWaalsContact O-N 3.14Å; L76-E80 WeakPolarHBondContact O-CG 3.4Å; L76-E80 PolarHBondContact O-N 3.41Å
77	M	88.9	Confident	91.1	Very high	97 Å²	97	56.1 Å²	56.1	48%	0.478	27%	0.274	S	S	.	.	H	α-helix	trans	-61.1	-37.5	174.3	-71.6	-164.6	82.9	0	0	112.5	D73 V75 E80 R81	D73-M77 WeakPolarHBondContact O-CG 3.46Å; D73-M77 PolarHBondContact O-N 3Å; V75-M77 VanDerWaalsContact C-N 3.31Å; V75-M77 PolarHBondContact O-N 2.85Å; M77-E80 PolarHBondContact O-N 2.89Å; M77-R81 WeakPolarHBondContact O-CB 3.29Å; M77-R81 PolarHBondContact O-N 3.28Å
78	K	90.2	Very high	91.2	Very high	106 Å²	106	50.8 Å²	50.8	46%	0.461	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-40.7	173.7	-69.9	177.7	-178.8	-178	0	111.9	T74 V75 L76 R81 E82	T74-K78 WeakPolarHBondContact O-CG 3.43Å; T74-K78 PolarHBondContact O-N 3.11Å; V75-K78 WeakPolarHBondContact O-CB 3.25Å; V75-K78 PolarHBondContact O-N 3.48Å; V75-K78 VanDerWaalsContact O-N 3.15Å; L76-K78 VanDerWaalsContact C-N 3.3Å; L76-K78 PolarHBondContact O-N 3.41Å; K78-R81 WeakPolarHBondContact O-CB 3.4Å; K78-R81 PolarHBondContact O-N 3.47Å; K78-E82 PolarHBondContact O-N 3.08Å
79	V	92.6	Very high	91.4	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-43.1	176	173.9	0	0	0	0	111.3	T46 I66 V75 L76 R81 E82 I83 L107	T46-V79 HydrophobicContact CG2-CG2 4.47Å; I66-V79 HydrophobicContact CD1-CG1 3.63Å; I66-V79 HydrophobicContact CD1-CG2 4.16Å; V75-V79 WeakPolarHBondContact O-CG2 3.47Å; V75-V79 PolarHBondContact O-N 3.06Å; L76-V79 PolarHBondContact O-N 3.49Å; L76-V79 VanDerWaalsContact O-N 3.14Å; V79-R81 VanDerWaalsContact C-N 3.31Å; V79-R81 PolarHBondContact O-N 2.85Å; V79-E82 WeakPolarHBondContact O-CB 3.42Å; V79-E82 PolarHBondContact O-N 3.43Å; V79-I83 HydrophobicContact CG1-CD1 4.16Å; V79-I83 WeakPolarHBondContact O-CG1 3.3Å; V79-I83 PolarHBondContact O-N 3.39Å; V79-L107 HydrophobicContact CG1-CD1 4.13Å
80	E	93.7	Very high	91.6	Very high	37 Å²	37	46.8 Å²	46.8	17%	0.173	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-39	175.9	-71.1	-60.9	152.4	0	0	111.7	L76 M77 I83 A84 R385	L76-E80 WeakPolarHBondContact O-CG 3.4Å; L76-E80 PolarHBondContact O-N 3.41Å; M77-E80 PolarHBondContact O-N 2.89Å; E80-I83 PolarHBondContact O-N 3.08Å; E80-A84 WeakPolarHBondContact O-CB 3.35Å; E80-A84 PolarHBondContact O-N 2.85Å; E80-R385 IonicContact OE1-CZ 2.73Å; E80-R385 IonicContact OE1-NH1 3.06Å; E80-R385 PolarHBondContact OE1-NH1 3.01Å; E80-R385 IonicContact OE1-NH2 3.87Å; E80-R385 PolarHBondContact OE1-NH2 3.09Å; E80-R385 IonicContact OE2-CZ 3.86Å; E80-R385 IonicContact OE2-NH1 3.19Å; E80-R385 PolarHBondContact OE2-NH1 2.99Å; E80-R385 IonicContact OE2-NH2 2.69Å
81	R	94.2	Very high	92	Very high	63 Å²	63	40.7 Å²	40.7	24%	0.238	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-44.9	172.4	-172.4	179.3	-58.1	172.7	3.5	112.2	M77 K78 V79 I83 A84 I85 S325 L326 S327	M77-R81 WeakPolarHBondContact O-CB 3.29Å; M77-R81 PolarHBondContact O-N 3.28Å; K78-R81 WeakPolarHBondContact O-CB 3.4Å; K78-R81 PolarHBondContact O-N 3.47Å; V79-R81 VanDerWaalsContact C-N 3.31Å; V79-R81 PolarHBondContact O-N 2.85Å; R81-I83 VanDerWaalsContact C-N 3.31Å; R81-I83 PolarHBondContact O-N 3.32Å; R81-A84 PolarHBondContact O-N 2.89Å; R81-I85 HydrophobicContact CG-CD1 3.95Å; R81-I85 HydrophobicContact CG-CG1 4.44Å; R81-I85 WeakPolarHBondContact O-CB 3.35Å; R81-I85 WeakPolarHBondContact O-CG1 3.47Å; R81-I85 PolarHBondContact O-N 2.75Å; R81-S325 WeakPolarHBondContact CB-O 3.46Å; R81-S325 PolarHBondContact NE-O 3.34Å; R81-L326 PolarHBondContact NE-O 3.09Å; R81-S327 PolarHBondContact NH2-OG 3.33Å
82	E	95	Very high	92.4	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.056	22%	0.224	C	C	.	.	H	α-helix	trans	-54.5	-49.3	174.4	-176.3	-173.3	178.8	0	0	109.7	K64 K78 V79 A84 I85 M86 F176	K64-E82 IonicContact NZ-OE1 3.47Å; K64-E82 PolarHBondContact NZ-OE1 3.31Å; K64-E82 IonicContact NZ-OE2 3.38Å; K64-E82 PolarHBondContact NZ-OE2 3.45Å; K78-E82 PolarHBondContact O-N 3.08Å; V79-E82 WeakPolarHBondContact O-CB 3.42Å; V79-E82 PolarHBondContact O-N 3.43Å; E82-A84 PolarHBondContact O-N 2.94Å; E82-I85 PolarHBondContact O-N 3.11Å; E82-M86 HydrophobicContact CG-SD 4.37Å; E82-M86 WeakPolarHBondContact O-CB 3.23Å; E82-M86 VanDerWaalsContact O-CG 3.26Å; E82-M86 WeakPolarHBondContact O-CG 3.46Å; E82-M86 PolarHBondContact O-N 3.23Å; E82-F176 HydrophobicContact CG-CB 4.46Å
83	I	94.5	Very high	92.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.2	-47.2	177.3	-67.7	165.1	0	0	0	111.4	V79 E80 R81 M86 K87 L97 V100 L109	V79-I83 HydrophobicContact CG1-CD1 4.16Å; V79-I83 WeakPolarHBondContact O-CG1 3.3Å; V79-I83 PolarHBondContact O-N 3.39Å; E80-I83 PolarHBondContact O-N 3.08Å; R81-I83 VanDerWaalsContact C-N 3.31Å; R81-I83 PolarHBondContact O-N 3.32Å; I83-M86 PolarHBondContact O-N 2.95Å; I83-K87 HydrophobicContact CG2-CD 4.29Å; I83-K87 WeakPolarHBondContact O-CG 3.43Å; I83-K87 PolarHBondContact O-N 3.39Å; I83-L97 HydrophobicContact CG2-CD2 4.26Å; I83-V100 HydrophobicContact CD1-CG1 4.31Å; I83-V100 HydrophobicContact CG1-CG2 4.48Å; I83-V100 HydrophobicContact CG2-CG2 3.95Å; I83-L109 HydrophobicContact CD1-CD1 4.13Å; I83-L109 HydrophobicContact CD1-CD2 4.47Å; I83-L109 HydrophobicContact CD1-CG 4.38Å; I83-L109 HydrophobicContact CG1-CD1 4.39Å; I83-L109 HydrophobicContact CG1-CD2 3.86Å; I83-L109 HydrophobicContact CG1-CG 4.13Å
84	A	95.2	Very high	93.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-44.2	-179.6	0	0	0	0	0	112	E80 R81 E82 K87 L88 H322 S325 L326	E80-A84 WeakPolarHBondContact O-CB 3.35Å; E80-A84 PolarHBondContact O-N 2.85Å; R81-A84 PolarHBondContact O-N 2.89Å; E82-A84 PolarHBondContact O-N 2.94Å; A84-K87 WeakPolarHBondContact O-CB 3.48Å; A84-K87 PolarHBondContact O-N 2.73Å; A84-L88 PolarHBondContact O-N 2.93Å; A84-H322 HydrophobicContact CB-CB 4.06Å; A84-S325 WeakPolarHBondContact CB-OG 3.49Å; A84-L326 HydrophobicContact CB-CD2 3.74Å; A84-L326 HydrophobicContact CB-CG 4.14Å
85	I	96	Very high	93.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-46.3	175.9	-71.3	175.7	0	0	0	110.8	R81 E82 K87 L88 I89 I153 F176 A179 L326	R81-I85 HydrophobicContact CG-CD1 3.95Å; R81-I85 HydrophobicContact CG-CG1 4.44Å; R81-I85 WeakPolarHBondContact O-CB 3.35Å; R81-I85 WeakPolarHBondContact O-CG1 3.47Å; R81-I85 PolarHBondContact O-N 2.75Å; E82-I85 PolarHBondContact O-N 3.11Å; I85-K87 PolarHBondContact O-N 3.05Å; I85-L88 WeakPolarHBondContact O-CB 3.2Å; I85-L88 PolarHBondContact O-N 3.15Å; I85-I89 HydrophobicContact CG2-CD1 4.37Å; I85-I89 WeakPolarHBondContact O-CG1 3.48Å; I85-I89 PolarHBondContact O-N 3.16Å; I85-I153 HydrophobicContact CG2-CD1 4.1Å; I85-I153 HydrophobicContact CG2-CG1 4.41Å; I85-I153 HydrophobicContact CG2-CG2 3.82Å; I85-F176 HydrophobicContact CG2-CB 4.24Å; I85-F176 HydrophobicContact CG2-CD1 3.8Å; I85-F176 HydrophobicContact CG2-CG 4.32Å; I85-A179 VanDerWaalsContact CD1-C 3.43Å; I85-A179 HydrophobicContact CD1-CB 3.68Å; I85-A179 VanDerWaalsContact CD1-O 3.29Å; I85-A179 WeakPolarHBondContact CD1-O 3.29Å; I85-A179 HydrophobicContact CG2-CB 4.13Å; I85-L326 HydrophobicContact CG1-CD2 3.7Å
86	M	95.6	Very high	94	Very high	7 Å²	7	33.7 Å²	33.7	3%	0.034	16%	0.159	C	C	.	.	H	α-helix	trans	-63.9	-24.4	178.1	-72.3	-164.8	83.3	0	0	113.2	E82 I83 L95 L97 L111 F176	E82-M86 HydrophobicContact CG-SD 4.37Å; E82-M86 WeakPolarHBondContact O-CB 3.23Å; E82-M86 VanDerWaalsContact O-CG 3.26Å; E82-M86 WeakPolarHBondContact O-CG 3.46Å; E82-M86 PolarHBondContact O-N 3.23Å; I83-M86 PolarHBondContact O-N 2.95Å; M86-L95 VanDerWaalsContact CE-O 3.27Å; M86-L95 WeakPolarHBondContact CE-O 3.26Å; M86-L97 HydrophobicContact CB-CB 3.94Å; M86-L97 HydrophobicContact CB-CD2 3.84Å; M86-L97 HydrophobicContact CE-CB 3.85Å; M86-L97 HydrophobicContact SD-CB 4.21Å; M86-L111 HydrophobicContact CE-CD2 3.74Å; M86-L111 HydrophobicContact SD-CD2 4.14Å; M86-F176 HydrophobicContact CG-CB 4.36Å
87	K	93.6	Very high	94.3	Very high	31 Å²	31	32.2 Å²	32.2	14%	0.135	15%	0.151	C	C	.	.	H	α-helix	trans	-76.1	-24.3	172.2	-78.2	179.1	172.8	-174.1	0	113.3	I83 A84 I85 L97 H322 L354 R357 E387	I83-K87 HydrophobicContact CG2-CD 4.29Å; I83-K87 WeakPolarHBondContact O-CG 3.43Å; I83-K87 PolarHBondContact O-N 3.39Å; A84-K87 WeakPolarHBondContact O-CB 3.48Å; A84-K87 PolarHBondContact O-N 2.73Å; I85-K87 PolarHBondContact O-N 3.05Å; K87-L97 HydrophobicContact CG-CD2 4.38Å; K87-H322 PolarHBondContact NZ-CE1 2.72Å; K87-H322 PolarHBondContact NZ-NE2 3.46Å; K87-L354 HydrophobicContact CB-CD2 3.75Å; K87-R357 HydrophobicContact CB-CG 4.13Å; K87-R357 HydrophobicContact CG-CG 4.32Å; K87-R357 WeakPolarHBondContact O-CG 3.29Å; K87-E387 IonicContact NZ-OE1 3.75Å; K87-E387 PolarHBondContact NZ-OE1 3.42Å
88	L	93.2	Very high	94.4	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-79.9	-18.2	178.2	-72.1	172.7	0	0	0	113.7	A84 I85 I153 L181 L326 V350 V353 L354	A84-L88 PolarHBondContact O-N 2.93Å; I85-L88 WeakPolarHBondContact O-CB 3.2Å; I85-L88 PolarHBondContact O-N 3.15Å; L88-I153 HydrophobicContact CB-CD1 4.1Å; L88-I153 HydrophobicContact CD1-CD1 4.47Å; L88-L181 HydrophobicContact CD1-CD1 4.2Å; L88-L326 HydrophobicContact CD1-CD1 4.12Å; L88-L326 HydrophobicContact CD1-CD2 4.33Å; L88-V350 HydrophobicContact CD1-CG1 4.32Å; L88-V350 HydrophobicContact CD2-CG1 4.12Å; L88-V353 HydrophobicContact CD2-CB 4.04Å; L88-V353 HydrophobicContact CD2-CG1 3.73Å; L88-L354 HydrophobicContact CD2-CD1 4.43Å; L88-L354 HydrophobicContact CD2-CD2 3.79Å; L88-L354 HydrophobicContact CD2-CG 3.67Å; L88-L354 HydrophobicContact CG-CD2 3.93Å; L88-L354 HydrophobicContact CG-CG 4.3Å
89	I	93.2	Very high	94.4	Very high	10 Å²	10	24.5 Å²	24.5	5%	0.051	12%	0.115	C	C	.	.			trans	-114.9	132.1	-172.2	61.3	-169.7	0	0	0	112.2	I85 I94 Y147 I153 F176	I85-I89 HydrophobicContact CG2-CD1 4.37Å; I85-I89 WeakPolarHBondContact O-CG1 3.48Å; I85-I89 PolarHBondContact O-N 3.16Å; I89-I94 HydrophobicContact CB-CD1 4.48Å; I89-I94 HydrophobicContact CD1-CD1 4.47Å; I89-I94 HydrophobicContact CD1-CG2 3.82Å; I89-I94 HydrophobicContact CG1-CG2 4.21Å; I89-Y147 HydrophobicContact CB-CE1 3.79Å; I89-Y147 HydrophobicContact CG2-CE1 3.94Å; I89-I153 HydrophobicContact CG2-CD1 3.38Å; I89-F176 HydrophobicContact CD1-CD1 3.94Å; I89-F176 HydrophobicContact CD1-CD2 4.29Å; I89-F176 HydrophobicContact CD1-CE1 3.58Å; I89-F176 HydrophobicContact CD1-CE2 3.96Å; I89-F176 HydrophobicContact CD1-CG 4.29Å; I89-F176 HydrophobicContact CD1-CZ 3.6Å
90	D	91.7	Very high	94.4	Very high	62 Å²	62	24.9 Å²	24.9	33%	0.332	12%	0.117	S	C	.	.			trans	-142.7	101.2	169.6	-177.4	15.4	0	0	0	109.7	R96 Y147	D90-R96 IonicContact OD1-CZ 2.69Å; D90-R96 IonicContact OD1-NE 3.07Å; D90-R96 PolarHBondContact OD1-NE 3.5Å; D90-R96 IonicContact OD1-NH2 3.42Å; D90-R96 PolarHBondContact OD1-NH2 3.24Å; D90-Y147 PolarHBondContact N-OH 3.28Å
91	H	94.5	Very high	94.4	Very high	17 Å²	17	23.7 Å²	23.7	8%	0.079	11%	0.111	C	C	.	.			trans	-141.8	143	-174.9	-174.9	-95.9	0	0	0	110.5	Y93 I94 C143 Y147	H91-Y93 AromaticContact CE1-CD2 3.64Å; H91-Y93 PolarHBondContact ND1-N 3.44Å; H91-Y93 PolarHBondContact O-N 2.96Å; H91-Y93 VanDerWaalsContact O-N 3.15Å; H91-I94 HydrophobicContact CB-CB 4.14Å; H91-I94 HydrophobicContact CB-CD1 3.73Å; H91-I94 HydrophobicContact CB-CG1 3.88Å; H91-I94 PolarHBondContact O-N 3.28Å; H91-I94 VanDerWaalsContact O-N 3.1Å; H91-C143 PolarHBondContact NE2-SG 3.03Å; H91-Y147 HydrophobicContact CB-CD1 3.72Å; H91-Y147 HydrophobicContact CB-CE1 3.98Å; H91-Y147 HydrophobicContact CB-CG 4.05Å; H91-Y147 AromaticContact CD2-CG 3.77Å
92	P	94.6	Very high	94.3	Very high	70 Å²	70	23 Å²	23	46%	0.455	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.8	-176.9	20.1	-34.9	0	0	0	114.8	K172	P92-K172 WeakPolarHBondContact O-CD 3.48Å; P92-K172 VanDerWaalsContact O-CE 3.3Å; P92-K172 WeakPolarHBondContact O-CE 3.13Å; P92-K172 PolarHBondContact O-NZ 3.43Å
93	Y	97.1	Very high	94	Very high	52 Å²	52	23.4 Å²	23.4	20%	0.204	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	15.5	-179.1	-53.2	-46.8	0	0	0	113.9	H91 Q140 C143 I171 K172 I173	H91-Y93 AromaticContact CE1-CD2 3.64Å; H91-Y93 PolarHBondContact ND1-N 3.44Å; H91-Y93 PolarHBondContact O-N 2.96Å; H91-Y93 VanDerWaalsContact O-N 3.15Å; Y93-Q140 HydrophobicContact CD1-CB 4.13Å; Y93-Q140 HydrophobicContact CD1-CG 4.1Å; Y93-Q140 HydrophobicContact CD2-CB 3.83Å; Y93-Q140 HydrophobicContact CD2-CG 4.08Å; Y93-Q140 HydrophobicContact CE1-CB 4.34Å; Y93-Q140 HydrophobicContact CE1-CG 3.82Å; Y93-Q140 HydrophobicContact CE2-CB 4.07Å; Y93-Q140 HydrophobicContact CE2-CG 3.8Å; Y93-Q140 HydrophobicContact CG-CB 3.89Å; Y93-Q140 HydrophobicContact CG-CG 4.25Å; Y93-C143 HydrophobicContact CD2-CB 4Å; Y93-C143 HydrophobicContact CE2-CB 4.25Å; Y93-I171 VanDerWaalsContact CA-O 3.29Å; Y93-I171 WeakPolarHBondContact CA-O 3.49Å; Y93-K172 WeakPolarHBondContact O-CA 3.44Å; Y93-I173 PolarHBondContact O-N 3.44Å
94	I	97.9	Very high	93.7	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-115.7	139.5	172.7	-62.9	179.1	0	0	0	108.1	I89 H91 R96 A144 Y147 C148 F176	I89-I94 HydrophobicContact CB-CD1 4.48Å; I89-I94 HydrophobicContact CD1-CD1 4.47Å; I89-I94 HydrophobicContact CD1-CG2 3.82Å; I89-I94 HydrophobicContact CG1-CG2 4.21Å; H91-I94 HydrophobicContact CB-CB 4.14Å; H91-I94 HydrophobicContact CB-CD1 3.73Å; H91-I94 HydrophobicContact CB-CG1 3.88Å; H91-I94 PolarHBondContact O-N 3.28Å; H91-I94 VanDerWaalsContact O-N 3.1Å; I94-R96 PolarHBondContact O-N 2.91Å; I94-A144 HydrophobicContact CD1-CB 4.25Å; I94-A144 HydrophobicContact CG1-CB 3.74Å; I94-Y147 HydrophobicContact CD1-CD1 3.9Å; I94-Y147 HydrophobicContact CD1-CE1 4.46Å; I94-C148 WeakPolarHBondContact CD1-SG 3.44Å; I94-F176 HydrophobicContact CD1-CZ 4.45Å; I94-F176 HydrophobicContact CG2-CE2 3.77Å; I94-F176 HydrophobicContact CG2-CZ 3.87Å
95	L	97.1	Very high	93.4	Very high	15 Å²	15	38.7 Å²	38.7	8%	0.079	17%	0.174	C	C	.	.			trans	-63.3	121.9	176	-170.2	75.7	0	0	0	110.1	M86 L111 E112 V114 L164 K172 I173 A174	M86-L95 VanDerWaalsContact CE-O 3.27Å; M86-L95 WeakPolarHBondContact CE-O 3.26Å; L95-L111 HydrophobicContact CD2-CB 4.4Å; L95-L111 HydrophobicContact CD2-CD1 4.4Å; L95-E112 HydrophobicContact CD1-CB 3.88Å; L95-E112 HydrophobicContact CD1-CG 4.4Å; L95-E112 WeakPolarHBondContact CD1-O 3.23Å; L95-E112 HydrophobicContact CG-CB 4.46Å; L95-V114 HydrophobicContact CD1-CG2 3.41Å; L95-V114 VanDerWaalsContact CD1-CG2 3.41Å; L95-L164 HydrophobicContact CD1-CD1 4.23Å; L95-K172 HydrophobicContact CD1-CB 4.42Å; L95-I173 VanDerWaalsContact CB-O 3.32Å; L95-I173 WeakPolarHBondContact CB-O 3.47Å; L95-I173 PolarHBondContact N-O 3.14Å; L95-A174 HydrophobicContact CB-CB 4.2Å; L95-A174 HydrophobicContact CD2-CB 3.89Å
96	R	95.6	Very high	93.3	Very high	83 Å²	83	41.1 Å²	41.1	31%	0.313	18%	0.183	S	C	.	.			trans	-82.6	135.5	-176.8	-66.7	179.5	171.2	136.5	-4.1	112.5	D90 I94 Y98 L111 E112	D90-R96 IonicContact OD1-CZ 2.69Å; D90-R96 IonicContact OD1-NE 3.07Å; D90-R96 PolarHBondContact OD1-NE 3.5Å; D90-R96 IonicContact OD1-NH2 3.42Å; D90-R96 PolarHBondContact OD1-NH2 3.24Å; I94-R96 PolarHBondContact O-N 2.91Å; R96-Y98 HydrophobicContact CB-CD1 4.28Å; R96-Y98 HydrophobicContact CB-CE1 3.75Å; R96-L111 CarbonylContact O-C 3.57Å; R96-L111 WeakPolarHBondContact O-CA 3.4Å; R96-E112 HydrophobicContact CB-CB 4.27Å; R96-E112 PolarHBondContact N-OE2 3.34Å; R96-E112 PolarHBondContact O-N 3.08Å
97	L	94.9	Very high	93.2	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	111.1	161.8	177.2	66.5	0	0	0	109.1	I83 M86 K87 V100 L109 L111 R357	I83-L97 HydrophobicContact CG2-CD2 4.26Å; M86-L97 HydrophobicContact CB-CB 3.94Å; M86-L97 HydrophobicContact CB-CD2 3.84Å; M86-L97 HydrophobicContact CE-CB 3.85Å; M86-L97 HydrophobicContact SD-CB 4.21Å; K87-L97 HydrophobicContact CG-CD2 4.38Å; L97-V100 HydrophobicContact CD1-CG2 4.1Å; L97-V100 HydrophobicContact CD2-CG2 3.94Å; L97-V100 HydrophobicContact CG-CG2 4.36Å; L97-L109 HydrophobicContact CD1-CB 3.89Å; L97-L109 HydrophobicContact CD1-CG 4.21Å; L97-L111 HydrophobicContact CB-CD2 4.22Å; L97-L111 HydrophobicContact CD1-CD2 3.75Å; L97-R357 PolarHBondContact O-NH2 3.24Å
98	Y	92.2	Very high	93.2	Very high	25 Å²	25	40.5 Å²	40.5	10%	0.098	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-52.8	178.1	-62.3	-41.5	0	0	0	112.2	R59 V61 R96 V110 E112 P362	R59-Y98 PolarHBondContact NH2-OH 2.87Å; V61-Y98 HydrophobicContact CG1-CD2 3.89Å; V61-Y98 HydrophobicContact CG1-CE2 4.02Å; R96-Y98 HydrophobicContact CB-CD1 4.28Å; R96-Y98 HydrophobicContact CB-CE1 3.75Å; Y98-V110 HydrophobicContact CD2-CG1 4.37Å; Y98-V110 PolarHBondContact N-O 3.1Å; Y98-E112 HydrophobicContact CE2-CB 4.17Å; Y98-E112 VanDerWaalsContact OH-CB 3.3Å; Y98-E112 WeakPolarHBondContact OH-CB 3.46Å; Y98-E112 WeakPolarHBondContact OH-CG 3.44Å; Y98-P362 WeakPolarHBondContact O-CG 3.37Å
99	D	90.6	Very high	93.3	Very high	16 Å²	16	40.3 Å²	40.3	9%	0.086	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	161.8	-174.8	-73.3	-52.5	0	0	0	111.1	Y35 Y101 V110 K384	Y35-D99 PolarHBondContact OH-OD2 2.91Å; D99-Y101 HydrophobicContact CB-CD2 4.28Å; D99-Y101 HydrophobicContact CB-CE2 3.67Å; D99-V110 HydrophobicContact CB-CB 4.15Å; D99-V110 HydrophobicContact CB-CG2 4.16Å; D99-V110 PolarHBondContact N-O 3.29Å; D99-V110 WeakPolarHBondContact O-CB 3.22Å; D99-V110 PolarHBondContact O-N 2.82Å; D99-K384 VanDerWaalsContact CG-NZ 3.32Å; D99-K384 WeakPolarHBondContact OD1-CE 3.49Å; D99-K384 IonicContact OD1-NZ 2.79Å; D99-K384 PolarHBondContact OD1-NZ 3.47Å; D99-K384 IonicContact OD2-NZ 2.82Å; D99-K384 PolarHBondContact OD2-NZ 3.11Å
100	V	92.9	Very high	93.5	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.055	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.2	170.2	-177.3	0	0	0	0	108.6	I83 L97 Y108 R385	I83-V100 HydrophobicContact CD1-CG1 4.31Å; I83-V100 HydrophobicContact CG1-CG2 4.48Å; I83-V100 HydrophobicContact CG2-CG2 3.95Å; L97-V100 HydrophobicContact CD1-CG2 4.1Å; L97-V100 HydrophobicContact CD2-CG2 3.94Å; L97-V100 HydrophobicContact CG-CG2 4.36Å; V100-Y108 CarbonylContact C-O 3.3Å; V100-Y108 WeakPolarHBondContact CA-O 3.47Å; V100-R385 HydrophobicContact CB-CB 4.48Å; V100-R385 PolarHBondContact O-N 3.15Å
101	Y	92.8	Very high	93.7	Very high	13 Å²	13	37.6 Å²	37.6	5%	0.051	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	152.6	170.6	-63.8	-108.5	0	0	0	109.5	V32 G33 P34 Y35 D99 Y108 V110 L383 K384	V32-Y101 HydrophobicContact CG1-CD1 4.14Å; V32-Y101 HydrophobicContact CG1-CD2 3.86Å; V32-Y101 HydrophobicContact CG1-CG 3.61Å; G33-Y101 VanDerWaalsContact CA-CE1 3.5Å; P34-Y101 WeakPolarHBondContact CD-OH 3.46Å; Y35-Y101 HydrophobicContact CD2-CE2 4.34Å; Y35-Y101 HydrophobicContact CE2-CE2 4.04Å; D99-Y101 HydrophobicContact CB-CD2 4.28Å; D99-Y101 HydrophobicContact CB-CE2 3.67Å; Y101-Y108 PolarHBondContact N-O 3.39Å; Y101-Y108 PolarHBondContact O-N 3.48Å; Y101-V110 HydrophobicContact CD2-CG2 3.84Å; Y101-V110 HydrophobicContact CE2-CG2 3.91Å; Y101-L383 CarbonylContact C-O 3.5Å; Y101-L383 VanDerWaalsContact CA-O 3.23Å; Y101-L383 WeakPolarHBondContact CA-O 3.43Å; Y101-K384 HydrophobicContact CD1-CB 3.86Å; Y101-K384 HydrophobicContact CE1-CB 3.51Å; Y101-K384 HydrophobicContact CE1-CD 4.46Å; Y101-K384 HydrophobicContact CE1-CG 4.06Å
102	E	92.1	Very high	93.7	Very high	47 Å²	47	38.2 Å²	38.2	22%	0.22	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	140.9	-175.6	-175.8	169.8	-170.2	0	0	110.2	K68 Y106 L107 L383 R385	K68-E102 IonicContact NZ-OE1 3.03Å; K68-E102 PolarHBondContact NZ-OE1 3.38Å; E102-Y106 WeakPolarHBondContact CA-O 3.27Å; E102-L107 HydrophobicContact CB-CD2 3.85Å; E102-L107 VanDerWaalsContact CD-CD2 3.44Å; E102-L107 HydrophobicContact CG-CD2 3.59Å; E102-L107 HydrophobicContact CG-CG 4.48Å; E102-L383 PolarHBondContact N-O 3.37Å; E102-L383 PolarHBondContact O-N 3.35Å; E102-R385 IonicContact OE1-NH2 2.76Å; E102-R385 IonicContact OE2-CZ 2.62Å; E102-R385 VanDerWaalsContact OE2-CZ 3.31Å; E102-R385 IonicContact OE2-NE 3.45Å; E102-R385 PolarHBondContact OE2-NE 3.16Å; E102-R385 IonicContact OE2-NH2 2.77Å; E102-R385 PolarHBondContact OE2-NH2 3.14Å
103	N	89.6	Confident	93.8	Very high	21 Å²	21	37.7 Å²	37.7	11%	0.112	16%	0.158	C	C	.	.			trans	-129	-168.8	161.6	65.7	16.4	0	0	0	109.2	K68 K105 Y106 D380	K68-N103 WeakPolarHBondContact CE-O 3.47Å; K68-N103 PolarHBondContact NZ-O 2.98Å; N103-K105 VanDerWaalsContact C-N 3.26Å; N103-K105 PolarHBondContact O-N 3.5Å; N103-K105 PolarHBondContact OD1-N 3.03Å; N103-K105 VanDerWaalsContact OD1-N 3.14Å; N103-Y106 PolarHBondContact N-O 2.96Å; N103-Y106 WeakPolarHBondContact OD1-CA 3.38Å; N103-Y106 WeakPolarHBondContact OD1-CB 3.37Å; N103-Y106 PolarHBondContact OD1-N 2.87Å; N103-Y106 PolarHBondContact OD1-O 3.1Å; N103-D380 WeakPolarHBondContact CB-OD2 3.15Å; N103-D380 PolarHBondContact ND2-O 3Å
104	R	87.7	Confident	93.8	Very high	212 Å²	212	36.2 Å²	36.2	80%	0.8	16%	0.155	S	C	*	.	S	Bend	trans	-61.5	-35.4	-176.1	-64.1	177.7	-177.6	-168.7	-0.3	112.6	K68 D380	K68-R104 WeakPolarHBondContact CE-O 3.49Å; K68-R104 PolarHBondContact NZ-O 3.34Å; R104-D380 VanDerWaalsContact CB-OD2 3.23Å; R104-D380 WeakPolarHBondContact CB-OD2 3.33Å; R104-D380 WeakPolarHBondContact CG-OD2 3.31Å; R104-D380 PolarHBondContact N-OD2 2.75Å
105	K	89.2	Confident	93.5	Very high	109 Å²	109	38.4 Å²	38.4	47%	0.474	18%	0.178	S	C	.	.	S	Bend	trans	-101.4	-26.7	-171.8	-65.5	-172	177.5	-171.9	0	114.5	K68 N103	K68-K105 PolarHBondContact N-O 3Å; N103-K105 VanDerWaalsContact C-N 3.26Å; N103-K105 PolarHBondContact O-N 3.5Å; N103-K105 PolarHBondContact OD1-N 3.03Å; N103-K105 VanDerWaalsContact OD1-N 3.14Å
106	Y	92.7	Very high	93.3	Very high	53 Å²	53	39.1 Å²	39.1	21%	0.208	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.1	-167.1	-63.2	-89.5	0	0	0	113.1	I65 I66 R67 E102 N103 Y108	I65-Y106 HydrophobicContact CG2-CD1 3.67Å; I65-Y106 HydrophobicContact CG2-CE1 4.28Å; I65-Y106 HydrophobicContact CG2-CG 4.42Å; I66-Y106 CarbonylContact O-C 3.49Å; I66-Y106 WeakPolarHBondContact O-CA 3.49Å; R67-Y106 HydrophobicContact CB-CE1 4.36Å; R67-Y106 HydrophobicContact CG-CD1 3.71Å; R67-Y106 HydrophobicContact CG-CE1 3.19Å; E102-Y106 WeakPolarHBondContact CA-O 3.27Å; N103-Y106 PolarHBondContact N-O 2.96Å; N103-Y106 WeakPolarHBondContact OD1-CA 3.38Å; N103-Y106 WeakPolarHBondContact OD1-CB 3.37Å; N103-Y106 PolarHBondContact OD1-N 2.87Å; N103-Y106 PolarHBondContact OD1-O 3.1Å; Y106-Y108 VanDerWaalsContact CB-CE2 3.41Å; Y106-Y108 WeakPolarHBondContact CB-OH 3.37Å; Y106-Y108 HydrophobicContact CG-CE2 4.48Å
107	L	93.6	Very high	93.3	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	141.1	161.5	-73.1	165.8	0	0	0	109.2	I65 I66 K68 V79 E102 L109	I65-L107 WeakPolarHBondContact CA-O 3.44Å; I66-L107 HydrophobicContact CB-CB 4.22Å; I66-L107 PolarHBondContact N-O 3.43Å; I66-L107 PolarHBondContact O-N 2.88Å; K68-L107 HydrophobicContact CD-CD1 4.14Å; K68-L107 HydrophobicContact CD-CD2 4.49Å; K68-L107 HydrophobicContact CD-CG 3.87Å; K68-L107 HydrophobicContact CG-CD1 4Å; K68-L107 HydrophobicContact CG-CG 3.88Å; V79-L107 HydrophobicContact CG1-CD1 4.13Å; E102-L107 HydrophobicContact CB-CD2 3.85Å; E102-L107 VanDerWaalsContact CD-CD2 3.44Å; E102-L107 HydrophobicContact CG-CD2 3.59Å; E102-L107 HydrophobicContact CG-CG 4.48Å; L107-L109 HydrophobicContact CB-CD1 4.32Å
108	Y	95	Very high	93.3	Very high	24 Å²	24	40 Å²	40	9%	0.094	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	108.6	-179.6	-54.4	-99.1	0	0	0	109	V32 I63 K64 I65 V100 Y101 Y106 P382	V32-Y108 HydrophobicContact CB-CD1 4.45Å; V32-Y108 HydrophobicContact CG1-CD1 4.08Å; V32-Y108 HydrophobicContact CG1-CD2 4.4Å; V32-Y108 HydrophobicContact CG1-CG 3.86Å; V32-Y108 HydrophobicContact CG2-CD1 3.49Å; V32-Y108 VanDerWaalsContact CG2-CD1 3.49Å; V32-Y108 HydrophobicContact CG2-CE1 3.65Å; V32-Y108 HydrophobicContact CG2-CG 4.13Å; I63-Y108 HydrophobicContact CG2-CD1 4.27Å; K64-Y108 WeakPolarHBondContact O-CA 3.42Å; I65-Y108 HydrophobicContact CB-CD1 4.41Å; I65-Y108 HydrophobicContact CD1-CD1 4.39Å; I65-Y108 HydrophobicContact CD1-CE1 4.32Å; I65-Y108 HydrophobicContact CG1-CD1 3.89Å; I65-Y108 HydrophobicContact CG1-CE1 4.19Å; I65-Y108 HydrophobicContact CG2-CD1 4.04Å; I65-Y108 HydrophobicContact CG2-CE1 3.78Å; V100-Y108 CarbonylContact C-O 3.3Å; V100-Y108 WeakPolarHBondContact CA-O 3.47Å; Y101-Y108 PolarHBondContact N-O 3.39Å; Y101-Y108 PolarHBondContact O-N 3.48Å; Y106-Y108 VanDerWaalsContact CB-CE2 3.41Å; Y106-Y108 WeakPolarHBondContact CB-OH 3.37Å; Y106-Y108 HydrophobicContact CG-CE2 4.48Å; Y108-P382 HydrophobicContact CD2-CB 3.9Å; Y108-P382 HydrophobicContact CD2-CG 4.21Å; Y108-P382 HydrophobicContact CE1-CG 4.47Å; Y108-P382 HydrophobicContact CE2-CB 3.67Å; Y108-P382 HydrophobicContact CE2-CG 3.54Å
109	L	95.2	Very high	93.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116	175.8	-73.4	63.9	0	0	0	107.9	I63 K64 I66 I83 L97 L107 L111	I63-L109 WeakPolarHBondContact CA-O 3.45Å; K64-L109 HydrophobicContact CB-CB 4.26Å; K64-L109 HydrophobicContact CD-CD2 4.49Å; K64-L109 PolarHBondContact N-O 3.28Å; K64-L109 PolarHBondContact O-N 3.01Å; I66-L109 HydrophobicContact CD1-CD1 4.02Å; I83-L109 HydrophobicContact CD1-CD1 4.13Å; I83-L109 HydrophobicContact CD1-CD2 4.47Å; I83-L109 HydrophobicContact CD1-CG 4.38Å; I83-L109 HydrophobicContact CG1-CD1 4.39Å; I83-L109 HydrophobicContact CG1-CD2 3.86Å; I83-L109 HydrophobicContact CG1-CG 4.13Å; L97-L109 HydrophobicContact CD1-CB 3.89Å; L97-L109 HydrophobicContact CD1-CG 4.21Å; L107-L109 HydrophobicContact CB-CD1 4.32Å; L109-L111 HydrophobicContact CB-CD2 4.49Å; L109-L111 HydrophobicContact CB-CG 4.38Å; L109-L111 PolarHBondContact O-N 3.19Å
110	V	95.6	Very high	93.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	106.1	177.7	-174.1	0	0	0	0	108.4	Y35 V61 I63 Y98 D99 Y101	Y35-V110 HydrophobicContact CD1-CG1 4.42Å; Y35-V110 HydrophobicContact CD2-CG1 4.37Å; Y35-V110 HydrophobicContact CD2-CG2 4.18Å; Y35-V110 HydrophobicContact CE1-CG1 3.88Å; Y35-V110 HydrophobicContact CE2-CB 4.48Å; Y35-V110 HydrophobicContact CE2-CG1 3.88Å; Y35-V110 HydrophobicContact CE2-CG2 3.99Å; V61-V110 HydrophobicContact CB-CG1 3.91Å; V61-V110 HydrophobicContact CG1-CG1 3.99Å; V61-V110 HydrophobicContact CG2-CG1 3.97Å; I63-V110 HydrophobicContact CG1-CG2 4.44Å; Y98-V110 HydrophobicContact CD2-CG1 4.37Å; Y98-V110 PolarHBondContact N-O 3.1Å; D99-V110 HydrophobicContact CB-CB 4.15Å; D99-V110 HydrophobicContact CB-CG2 4.16Å; D99-V110 PolarHBondContact N-O 3.29Å; D99-V110 WeakPolarHBondContact O-CB 3.22Å; D99-V110 PolarHBondContact O-N 2.82Å; Y101-V110 HydrophobicContact CD2-CG2 3.84Å; Y101-V110 HydrophobicContact CE2-CG2 3.91Å
111	L	95.9	Very high	94.1	Very high	15 Å²	15	45.4 Å²	45.4	8%	0.079	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	157.8	-173.8	-57.3	167	0	0	0	111	V61 A62 K64 M86 L95 R96 L97 L109 H113	V61-L111 WeakPolarHBondContact CA-O 3.31Å; V61-L111 WeakPolarHBondContact CB-O 3.35Å; A62-L111 HydrophobicContact CB-CB 4.36Å; A62-L111 PolarHBondContact N-O 2.83Å; A62-L111 WeakPolarHBondContact O-CA 3.48Å; A62-L111 WeakPolarHBondContact O-CB 3.49Å; A62-L111 PolarHBondContact O-N 3.11Å; K64-L111 HydrophobicContact CB-CD1 4.03Å; M86-L111 HydrophobicContact CE-CD2 3.74Å; M86-L111 HydrophobicContact SD-CD2 4.14Å; L95-L111 HydrophobicContact CD2-CB 4.4Å; L95-L111 HydrophobicContact CD2-CD1 4.4Å; R96-L111 CarbonylContact O-C 3.57Å; R96-L111 WeakPolarHBondContact O-CA 3.4Å; L97-L111 HydrophobicContact CB-CD2 4.22Å; L97-L111 HydrophobicContact CD1-CD2 3.75Å; L109-L111 HydrophobicContact CB-CD2 4.49Å; L109-L111 HydrophobicContact CB-CG 4.38Å; L109-L111 PolarHBondContact O-N 3.19Å; L111-H113 PolarHBondContact O-N 3.49Å
112	E	95.7	Very high	94.3	Very high	30 Å²	30	45.4 Å²	45.4	14%	0.14	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	131.7	164.9	-179.2	168.9	-148.7	0	0	110.8	L95 R96 Y98 V114 K172	L95-E112 HydrophobicContact CD1-CB 3.88Å; L95-E112 HydrophobicContact CD1-CG 4.4Å; L95-E112 WeakPolarHBondContact CD1-O 3.23Å; L95-E112 HydrophobicContact CG-CB 4.46Å; R96-E112 HydrophobicContact CB-CB 4.27Å; R96-E112 PolarHBondContact N-OE2 3.34Å; R96-E112 PolarHBondContact O-N 3.08Å; Y98-E112 HydrophobicContact CE2-CB 4.17Å; Y98-E112 VanDerWaalsContact OH-CB 3.3Å; Y98-E112 WeakPolarHBondContact OH-CB 3.46Å; Y98-E112 WeakPolarHBondContact OH-CG 3.44Å; E112-V114 HydrophobicContact CG-CG2 4.03Å; E112-K172 WeakPolarHBondContact OE1-CE 3.33Å; E112-K172 IonicContact OE1-NZ 2.63Å; E112-K172 PolarHBondContact OE1-NZ 3.02Å; E112-K172 WeakPolarHBondContact OE2-CE 3.35Å; E112-K172 IonicContact OE2-NZ 3.9Å; E112-K172 PolarHBondContact OE2-NZ 2.93Å
113	H	96.4	Very high	94.5	Very high	58 Å²	58	44.2 Å²	44.2	27%	0.269	23%	0.227	S	C	.	.			trans	-84.7	123.3	171.7	177.9	-101.2	0	0	0	109.7	K60 L111	K60-H113 HydrophobicContact CB-CB 4.26Å; L111-H113 PolarHBondContact O-N 3.49Å
114	V	96.4	Very high	94.9	Very high	22 Å²	22	48 Å²	48	13%	0.133	25%	0.25	C	S	.	.			trans	-120.8	109.3	-178.7	-176.8	0	0	0	0	108.2	L95 E112 L164 L165 D166 K172	L95-V114 HydrophobicContact CD1-CG2 3.41Å; L95-V114 VanDerWaalsContact CD1-CG2 3.41Å; E112-V114 HydrophobicContact CG-CG2 4.03Å; V114-L164 HydrophobicContact CB-CB 4.15Å; V114-L164 HydrophobicContact CB-CD1 4.12Å; V114-L164 HydrophobicContact CG1-CB 3.66Å; V114-L164 HydrophobicContact CG2-CD1 4.43Å; V114-L165 WeakPolarHBondContact CG1-O 3.34Å; V114-D166 HydrophobicContact CG1-CB 4.33Å; V114-K172 HydrophobicContact CG1-CB 4.47Å; V114-K172 HydrophobicContact CG1-CG 4.18Å; V114-K172 HydrophobicContact CG2-CB 4.11Å; V114-K172 HydrophobicContact CG2-CG 3.8Å
115	G	91.8	Very high	95.3	Very high	47 Å²	47	46.3 Å²	46.3	49%	0.485	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-9.1	-164.3	0	0	0	0	0	116.8	G117	G115-G117 VanDerWaalsContact C-N 3.35Å
116	G	93.7	Very high	95.6	Very high	30 Å²	30	46.3 Å²	46.3	31%	0.309	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-1.9	-175.9	0	0	0	0	0	114.9	L165	G116-L165 CarbonylContact C-O 3.6Å; G116-L165 WeakPolarHBondContact CA-O 3.36Å; G116-L165 PolarHBondContact N-O 3.08Å
117	G	94.6	Very high	95.7	Very high	33 Å²	33	45.2 Å²	45.2	34%	0.34	25%	0.249	S	C	.	.			trans	80.1	-165.3	178.5	0	0	0	0	0	113.7	G115 L164 L165	G115-G117 VanDerWaalsContact C-N 3.35Å; G117-L164 CarbonylContact O-C 3.52Å; G117-L164 WeakPolarHBondContact O-CA 3.34Å; G117-L165 PolarHBondContact O-N 3.27Å
118	E	96.5	Very high	95.7	Very high	75 Å²	75	51.5 Å²	51.5	35%	0.35	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-83.6	147.4	-177.4	-61.8	175.8	-164.7	0	0	111.6	F120 D121 Y122 L164	E118-F120 HydrophobicContact CB-CB 4.39Å; E118-F120 PolarHBondContact O-N 2.92Å; E118-D121 PolarHBondContact O-N 2.92Å; E118-Y122 PolarHBondContact O-N 2.88Å; E118-Y122 VanDerWaalsContact O-N 3.17Å; E118-L164 HydrophobicContact CG-CD2 3.83Å
119	L	98	Very high	95.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-27.2	173.2	-179.6	63.3	0	0	0	111.2	Y122 L123 I137 P160 L163 L165 I171 L225	L119-Y122 HydrophobicContact CD1-CD1 4.14Å; L119-Y122 WeakPolarHBondContact O-CB 3.46Å; L119-Y122 PolarHBondContact O-N 2.97Å; L119-L123 HydrophobicContact CG-CD1 4.43Å; L119-L123 WeakPolarHBondContact O-CG 3.46Å; L119-L123 PolarHBondContact O-N 3.47Å; L119-I137 HydrophobicContact CD1-CD1 4.05Å; L119-I137 HydrophobicContact CD1-CG2 4.47Å; L119-I137 HydrophobicContact CD2-CG2 4.06Å; L119-P160 HydrophobicContact CB-CB 4.32Å; L119-P160 WeakPolarHBondContact CB-O 3.49Å; L119-P160 HydrophobicContact CG-CB 4.36Å; L119-P160 PolarHBondContact N-O 3.34Å; L119-L163 HydrophobicContact CB-CB 3.91Å; L119-L163 VanDerWaalsContact CB-O 3.26Å; L119-L163 WeakPolarHBondContact CB-O 3.41Å; L119-L163 HydrophobicContact CD2-CB 3.99Å; L119-L163 HydrophobicContact CD2-CD1 3.63Å; L119-L163 HydrophobicContact CD2-CG 4.48Å; L119-L163 PolarHBondContact N-O 2.96Å; L119-L165 HydrophobicContact CD1-CD1 4.06Å; L119-L165 HydrophobicContact CD1-CD2 4.47Å; L119-L165 HydrophobicContact CD1-CG 4.5Å; L119-I171 HydrophobicContact CD2-CD1 4.05Å; L119-L225 HydrophobicContact CD1-CD2 4.08Å; L119-L225 HydrophobicContact CD2-CD2 4.09Å; L119-L225 HydrophobicContact CG-CD2 4.37Å
120	F	96.9	Very high	95.9	Very high	82 Å²	82	54.6 Å²	54.6	36%	0.36	30%	0.295	S	S	.	.	H	α-helix	trans	-57.1	-58.5	172.3	-176.7	-94.4	0	0	0	111.7	E118 Y122 L123 V124 P160 E161	E118-F120 HydrophobicContact CB-CB 4.39Å; E118-F120 PolarHBondContact O-N 2.92Å; F120-Y122 PolarHBondContact O-N 2.86Å; F120-L123 WeakPolarHBondContact O-CB 3.23Å; F120-L123 PolarHBondContact O-N 3.32Å; F120-V124 HydrophobicContact CD1-CG2 4.07Å; F120-V124 HydrophobicContact CE1-CG2 3.67Å; F120-V124 HydrophobicContact CZ-CG2 3.95Å; F120-V124 WeakPolarHBondContact O-CG2 3.37Å; F120-V124 PolarHBondContact O-N 3.44Å; F120-P160 HydrophobicContact CB-CB 3.91Å; F120-P160 HydrophobicContact CD2-CB 4.43Å; F120-P160 PolarHBondContact N-O 2.68Å; F120-E161 HydrophobicContact CB-CG 3.86Å; F120-E161 HydrophobicContact CD2-CG 4.13Å; F120-E161 HydrophobicContact CG-CG 3.96Å
121	D	96.7	Very high	95.8	Very high	82 Å²	82	56.8 Å²	56.8	44%	0.439	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-31.6	178.4	-69.7	-30.1	0	0	0	112.5	E118 R125	E118-D121 PolarHBondContact O-N 2.92Å; D121-R125 WeakPolarHBondContact O-CG 3.42Å; D121-R125 PolarHBondContact O-N 3.34Å; D121-R125 VanDerWaalsContact O-N 3.15Å; D121-R125 PolarHBondContact O-NE 3.44Å
122	Y	97.2	Very high	95.7	Very high	12 Å²	12	64.5 Å²	64.5	5%	0.047	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-44.1	173.9	-170.1	-102.8	0	0	0	112	E118 L119 F120 K126 L129 E133 L165 N169	E118-Y122 PolarHBondContact O-N 2.88Å; E118-Y122 VanDerWaalsContact O-N 3.17Å; L119-Y122 HydrophobicContact CD1-CD1 4.14Å; L119-Y122 WeakPolarHBondContact O-CB 3.46Å; L119-Y122 PolarHBondContact O-N 2.97Å; F120-Y122 PolarHBondContact O-N 2.86Å; Y122-K126 HydrophobicContact CD1-CD 4.37Å; Y122-K126 HydrophobicContact CE1-CD 3.72Å; Y122-K126 HydrophobicContact CE2-CD 4.14Å; Y122-K126 VanDerWaalsContact CZ-CE 3.46Å; Y122-K126 WeakPolarHBondContact O-CB 3.45Å; Y122-K126 PolarHBondContact O-N 3.36Å; Y122-K126 VanDerWaalsContact O-N 3.09Å; Y122-K126 VanDerWaalsContact OH-CE 3.23Å; Y122-K126 WeakPolarHBondContact OH-CE 3.34Å; Y122-K126 PolarHBondContact OH-NZ 3.07Å; Y122-L129 HydrophobicContact CD1-CD1 4.44Å; Y122-L129 HydrophobicContact CD1-CD2 4.23Å; Y122-L129 HydrophobicContact CE1-CD1 4.16Å; Y122-L129 HydrophobicContact CE1-CD2 3.84Å; Y122-E133 WeakPolarHBondContact CE1-OE1 3.12Å; Y122-E133 VanDerWaalsContact CZ-OE1 3.3Å; Y122-E133 PolarHBondContact OH-OE1 3.22Å; Y122-L165 HydrophobicContact CD1-CD1 3.98Å; Y122-L165 HydrophobicContact CD2-CD1 3.81Å; Y122-L165 HydrophobicContact CE2-CD1 4.38Å; Y122-L165 HydrophobicContact CG-CD1 3.56Å; Y122-N169 PolarHBondContact OH-ND2 2.84Å
123	L	96.8	Very high	95.7	Very high	22 Å²	22	65 Å²	65	12%	0.115	34%	0.343	C	S	.	.	H	α-helix	trans	-68.5	-41.8	175.8	-78.9	173.9	0	0	0	112.4	L119 F120 R125 K126 G127 L129 P160 L225	L119-L123 HydrophobicContact CG-CD1 4.43Å; L119-L123 WeakPolarHBondContact O-CG 3.46Å; L119-L123 PolarHBondContact O-N 3.47Å; F120-L123 WeakPolarHBondContact O-CB 3.23Å; F120-L123 PolarHBondContact O-N 3.32Å; L123-R125 VanDerWaalsContact C-N 3.28Å; L123-R125 PolarHBondContact O-N 3.28Å; L123-K126 PolarHBondContact O-N 3.48Å; L123-G127 VanDerWaalsContact O-CA 3.23Å; L123-G127 WeakPolarHBondContact O-CA 3.29Å; L123-G127 PolarHBondContact O-N 3.01Å; L123-L129 HydrophobicContact CD2-CD1 4.09Å; L123-L129 HydrophobicContact CD2-CD2 4.18Å; L123-L129 HydrophobicContact CD2-CG 3.77Å; L123-P160 HydrophobicContact CD1-CB 4.49Å; L123-P160 HydrophobicContact CD1-CG 4.44Å; L123-L225 HydrophobicContact CD1-CD2 4.05Å; L123-L225 HydrophobicContact CD2-CD2 4.07Å; L123-L225 HydrophobicContact CG-CD2 4.34Å
124	V	96.4	Very high	95.7	Very high	100 Å²	100	62.2 Å²	62.2	61%	0.606	33%	0.331	S	S	*	.	H	α-helix	trans	-58.2	-42.4	176.6	171.3	0	0	0	0	111	F120	F120-V124 HydrophobicContact CD1-CG2 4.07Å; F120-V124 HydrophobicContact CE1-CG2 3.67Å; F120-V124 HydrophobicContact CZ-CG2 3.95Å; F120-V124 WeakPolarHBondContact O-CG2 3.37Å; F120-V124 PolarHBondContact O-N 3.44Å
125	R	96.3	Very high	95.6	Very high	177 Å²	177	63.8 Å²	63.8	67%	0.668	33%	0.334	S	S	*	.	H	α-helix	trans	-73.4	-36.7	179.8	-72	-178.2	-62.2	139.7	-5.1	114.1	D121 L123	D121-R125 WeakPolarHBondContact O-CG 3.42Å; D121-R125 PolarHBondContact O-N 3.34Å; D121-R125 VanDerWaalsContact O-N 3.15Å; D121-R125 PolarHBondContact O-NE 3.44Å; L123-R125 VanDerWaalsContact C-N 3.28Å; L123-R125 PolarHBondContact O-N 3.28Å
126	K	95.4	Very high	95.7	Very high	110 Å²	110	65.8 Å²	65.8	48%	0.478	33%	0.33	S	S	.	.	H	α-helix	trans	-93.3	-20.2	-175.7	-76.8	-162.4	167.2	-167.2	0	114.1	Y122 L123 L129 E133	Y122-K126 HydrophobicContact CD1-CD 4.37Å; Y122-K126 HydrophobicContact CE1-CD 3.72Å; Y122-K126 HydrophobicContact CE2-CD 4.14Å; Y122-K126 VanDerWaalsContact CZ-CE 3.46Å; Y122-K126 WeakPolarHBondContact O-CB 3.45Å; Y122-K126 PolarHBondContact O-N 3.36Å; Y122-K126 VanDerWaalsContact O-N 3.09Å; Y122-K126 VanDerWaalsContact OH-CE 3.23Å; Y122-K126 WeakPolarHBondContact OH-CE 3.34Å; Y122-K126 PolarHBondContact OH-NZ 3.07Å; L123-K126 PolarHBondContact O-N 3.48Å; K126-L129 HydrophobicContact CB-CD2 3.94Å; K126-L129 HydrophobicContact CD-CD2 3.75Å; K126-L129 HydrophobicContact CG-CD2 4.5Å; K126-E133 IonicContact NZ-OE1 3.62Å; K126-E133 PolarHBondContact NZ-OE1 3.39Å; K126-E133 IonicContact NZ-OE2 2.72Å; K126-E133 PolarHBondContact NZ-OE2 3.17Å
127	G	95	Very high	95.8	Very high	30 Å²	30	64.4 Å²	64.4	31%	0.309	32%	0.315	S	S	.	.			trans	65.4	-145.6	-159.4	0	0	0	0	0	111.2	L123	L123-G127 VanDerWaalsContact O-CA 3.23Å; L123-G127 WeakPolarHBondContact O-CA 3.29Å; L123-G127 PolarHBondContact O-N 3.01Å
128	R	94.9	Very high	96	Very high	133 Å²	133	62.9 Å²	62.9	50%	0.502	30%	0.299	S	S	.	.	S	Bend	trans	-63.1	145.1	177.2	72.9	-177.9	178.8	-179.6	-2.8	112.1	L226	R128-L226 WeakPolarHBondContact CB-O 3.36Å
129	L	97.4	Very high	95.9	Very high	7 Å²	7	60.4 Å²	60.4	4%	0.037	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-92.7	148.8	-179.4	-56.8	-175.9	0	0	0	112.1	Y122 L123 K126 V131 E133 A134 I137 L225	Y122-L129 HydrophobicContact CD1-CD1 4.44Å; Y122-L129 HydrophobicContact CD1-CD2 4.23Å; Y122-L129 HydrophobicContact CE1-CD1 4.16Å; Y122-L129 HydrophobicContact CE1-CD2 3.84Å; L123-L129 HydrophobicContact CD2-CD1 4.09Å; L123-L129 HydrophobicContact CD2-CD2 4.18Å; L123-L129 HydrophobicContact CD2-CG 3.77Å; K126-L129 HydrophobicContact CB-CD2 3.94Å; K126-L129 HydrophobicContact CD-CD2 3.75Å; K126-L129 HydrophobicContact CG-CD2 4.5Å; L129-V131 PolarHBondContact O-N 2.8Å; L129-E133 HydrophobicContact CD1-CG 4.35Å; L129-A134 HydrophobicContact CB-CB 4.3Å; L129-I137 HydrophobicContact CD1-CD1 3.7Å; L129-L225 WeakPolarHBondContact CB-O 3.3Å; L129-L225 HydrophobicContact CD1-CD2 3.6Å; L129-L225 PolarHBondContact N-O 3.23Å
130	P	95.9	Very high	95.7	Very high	82 Å²	82	61 Å²	61	53%	0.532	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-55.8	141.2	167.4	-23.2	33.2	0	0	0	111.1	K132 E133 A134	P130-K132 PolarHBondContact O-N 3.21Å; P130-E133 WeakPolarHBondContact O-CA 3.32Å; P130-E133 WeakPolarHBondContact O-CB 3.21Å; P130-E133 PolarHBondContact O-N 3Å; P130-A134 PolarHBondContact O-N 3.15Å
131	V	94.7	Very high	95.8	Very high	46 Å²	46	57 Å²	57	28%	0.279	27%	0.272	S	S	.	.	H	α-helix	trans	-50.9	-38.7	-175.3	177.5	0	0	0	0	112.9	L129 E133 R135 L226 P256 W285	L129-V131 PolarHBondContact O-N 2.8Å; V131-E133 PolarHBondContact O-N 3.28Å; V131-R135 VanDerWaalsContact O-CB 3.22Å; V131-R135 WeakPolarHBondContact O-CB 3.43Å; V131-R135 PolarHBondContact O-N 3.34Å; V131-L226 HydrophobicContact CG2-CD2 4.38Å; V131-P256 HydrophobicContact CG1-CG 4.33Å; V131-P256 HydrophobicContact CG2-CG 3.97Å; V131-W285 HydrophobicContact CG1-CZ2 3.98Å
132	K	93.3	Very high	95.7	Very high	176 Å²	176	53.1 Å²	53.1	77%	0.765	25%	0.251	S	S	*	.	H	α-helix	trans	-63.8	-40.2	178.6	-174.3	178.3	179.3	-179.7	0	112.4	P130 K136	P130-K132 PolarHBondContact O-N 3.21Å; K132-K136 PolarHBondContact O-N 2.88Å
133	E	95.3	Very high	95.6	Very high	40 Å²	40	53.3 Å²	53.3	19%	0.187	25%	0.254	C	S	.	.	H	α-helix	trans	-74.2	-47.8	179.1	-173.5	174.8	-178.4	0	0	111	Y122 K126 L129 P130 V131 R135 K136 I137	Y122-E133 WeakPolarHBondContact CE1-OE1 3.12Å; Y122-E133 VanDerWaalsContact CZ-OE1 3.3Å; Y122-E133 PolarHBondContact OH-OE1 3.22Å; K126-E133 IonicContact NZ-OE1 3.62Å; K126-E133 PolarHBondContact NZ-OE1 3.39Å; K126-E133 IonicContact NZ-OE2 2.72Å; K126-E133 PolarHBondContact NZ-OE2 3.17Å; L129-E133 HydrophobicContact CD1-CG 4.35Å; P130-E133 WeakPolarHBondContact O-CA 3.32Å; P130-E133 WeakPolarHBondContact O-CB 3.21Å; P130-E133 PolarHBondContact O-N 3Å; V131-E133 PolarHBondContact O-N 3.28Å; E133-R135 VanDerWaalsContact C-N 3.27Å; E133-R135 PolarHBondContact O-N 3.33Å; E133-K136 WeakPolarHBondContact O-CB 3.48Å; E133-K136 PolarHBondContact O-N 3.01Å; E133-I137 HydrophobicContact CG-CD1 4.3Å; E133-I137 PolarHBondContact O-N 2.94Å
134	A	96.5	Very high	95.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-54.3	-44.2	174.2	0	0	0	0	0	111.5	L129 P130 K136 I137 F138 L225 L226	L129-A134 HydrophobicContact CB-CB 4.3Å; P130-A134 PolarHBondContact O-N 3.15Å; A134-K136 PolarHBondContact O-N 3.37Å; A134-I137 PolarHBondContact O-N 2.91Å; A134-F138 WeakPolarHBondContact O-CB 3.36Å; A134-F138 PolarHBondContact O-N 2.83Å; A134-L225 HydrophobicContact CB-CB 4.06Å; A134-L226 HydrophobicContact CB-CD2 3.69Å; A134-L226 HydrophobicContact CB-CG 4.34Å
135	R	94.8	Very high	95.6	Very high	56 Å²	56	47.6 Å²	47.6	21%	0.211	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-44	175.4	-170.5	-173	-65.2	111.1	-7	112.4	V131 E133 R139 W285	V131-R135 VanDerWaalsContact O-CB 3.22Å; V131-R135 WeakPolarHBondContact O-CB 3.43Å; V131-R135 PolarHBondContact O-N 3.34Å; E133-R135 VanDerWaalsContact C-N 3.27Å; E133-R135 PolarHBondContact O-N 3.33Å; R135-R139 HydrophobicContact CG-CG 4.42Å; R135-R139 WeakPolarHBondContact O-CB 3.39Å; R135-R139 WeakPolarHBondContact O-CG 3.2Å; R135-R139 PolarHBondContact O-N 3.38Å; R135-W285 HydrophobicContact CB-CH2 3.75Å; R135-W285 HydrophobicContact CB-CZ2 3.64Å; R135-W285 HydrophobicContact CB-CZ3 4.43Å; R135-W285 VanDerWaalsContact CD-O 3.23Å; R135-W285 WeakPolarHBondContact CD-O 3.14Å; R135-W285 HydrophobicContact CG-CH2 4.12Å; R135-W285 HydrophobicContact CG-CZ2 4.11Å; R135-W285 HydrophobicContact CG-CZ3 4.33Å; R135-W285 PolarHBondContact NE-O 3.38Å
136	K	94.1	Very high	95.5	Very high	89 Å²	89	39.6 Å²	39.6	39%	0.387	19%	0.191	S	C	.	.	H	α-helix	trans	-58.6	-51	178.2	179.9	-165.1	171.4	-155	0	110.4	K132 E133 A134 Q140 R168 N169	K132-K136 PolarHBondContact O-N 2.88Å; E133-K136 WeakPolarHBondContact O-CB 3.48Å; E133-K136 PolarHBondContact O-N 3.01Å; A134-K136 PolarHBondContact O-N 3.37Å; K136-Q140 WeakPolarHBondContact O-CG 3.31Å; K136-Q140 PolarHBondContact O-N 3.16Å; K136-R168 PolarHBondContact NZ-O 2.86Å; K136-R168 VanDerWaalsContact NZ-O 3.08Å; K136-N169 PolarHBondContact NZ-O 2.72Å; K136-N169 VanDerWaalsContact NZ-O 3.11Å
137	I	96.2	Very high	95.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-51.3	179.8	-73.1	170.1	0	0	0	110.4	L119 L129 E133 A134 R139 Q140 I141 I171 L225	L119-I137 HydrophobicContact CD1-CD1 4.05Å; L119-I137 HydrophobicContact CD1-CG2 4.47Å; L119-I137 HydrophobicContact CD2-CG2 4.06Å; L129-I137 HydrophobicContact CD1-CD1 3.7Å; E133-I137 HydrophobicContact CG-CD1 4.3Å; E133-I137 PolarHBondContact O-N 2.94Å; A134-I137 PolarHBondContact O-N 2.91Å; I137-R139 VanDerWaalsContact C-N 3.31Å; I137-R139 PolarHBondContact O-N 3.47Å; I137-Q140 WeakPolarHBondContact O-CB 3.27Å; I137-Q140 PolarHBondContact O-N 3.08Å; I137-I141 HydrophobicContact CG2-CD1 3.91Å; I137-I141 WeakPolarHBondContact O-CG1 3.45Å; I137-I141 PolarHBondContact O-N 3.43Å; I137-I141 VanDerWaalsContact O-N 3.12Å; I137-I171 HydrophobicContact CB-CG1 4.46Å; I137-I171 HydrophobicContact CG2-CD1 3.8Å; I137-I171 HydrophobicContact CG2-CG1 3.87Å; I137-L225 HydrophobicContact CD1-CD2 4.47Å; I137-L225 HydrophobicContact CG2-CD1 3.84Å; I137-L225 HydrophobicContact CG2-CD2 4.14Å
138	F	97	Very high	95.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.1	-39.8	-177.6	-175.1	-106.4	0	0	0	112.8	A134 Q140 I141 I142 C218 L222 L262 M266 V280 W285 V286	A134-F138 WeakPolarHBondContact O-CB 3.36Å; A134-F138 PolarHBondContact O-N 2.83Å; F138-Q140 VanDerWaalsContact C-N 3.29Å; F138-Q140 PolarHBondContact O-N 3.38Å; F138-I141 PolarHBondContact O-N 3.17Å; F138-I142 HydrophobicContact CD1-CG1 4.01Å; F138-I142 HydrophobicContact CD2-CG1 4.33Å; F138-I142 HydrophobicContact CE1-CD1 4.22Å; F138-I142 HydrophobicContact CE1-CG1 3.56Å; F138-I142 HydrophobicContact CE2-CD1 4Å; F138-I142 HydrophobicContact CE2-CG1 3.89Å; F138-I142 HydrophobicContact CG-CG1 4.38Å; F138-I142 HydrophobicContact CZ-CD1 3.66Å; F138-I142 HydrophobicContact CZ-CG1 3.49Å; F138-I142 VanDerWaalsContact CZ-CG1 3.49Å; F138-I142 WeakPolarHBondContact O-CG1 2.95Å; F138-I142 PolarHBondContact O-N 2.49Å; F138-C218 HydrophobicContact CE2-CB 4.17Å; F138-C218 WeakPolarHBondContact CE2-O 3.26Å; F138-L222 HydrophobicContact CB-CD1 4.1Å; F138-L222 HydrophobicContact CD1-CD1 4.34Å; F138-L222 HydrophobicContact CD1-CD2 4.29Å; F138-L222 HydrophobicContact CD2-CB 3.73Å; F138-L222 HydrophobicContact CD2-CD1 3.98Å; F138-L222 HydrophobicContact CD2-CD2 4.32Å; F138-L222 HydrophobicContact CD2-CG 4.21Å; F138-L222 HydrophobicContact CE1-CD2 4.03Å; F138-L222 HydrophobicContact CE2-CB 3.66Å; F138-L222 HydrophobicContact CE2-CD2 4.07Å; F138-L222 HydrophobicContact CE2-CG 4.29Å; F138-L222 HydrophobicContact CG-CB 4.46Å; F138-L222 HydrophobicContact CG-CD1 3.87Å; F138-L222 HydrophobicContact CG-CD2 4.42Å; F138-L222 HydrophobicContact CG-CG 4.47Å; F138-L222 HydrophobicContact CZ-CB 4.34Å; F138-L222 HydrophobicContact CZ-CD2 3.91Å; F138-L262 HydrophobicContact CE1-CD2 4.1Å; F138-M266 HydrophobicContact CE1-SD 4.49Å; F138-M266 HydrophobicContact CE2-CE 4.07Å; F138-M266 HydrophobicContact CE2-SD 4.45Å; F138-M266 HydrophobicContact CZ-CE 3.61Å; F138-M266 HydrophobicContact CZ-SD 3.66Å; F138-V280 HydrophobicContact CE1-CG1 4.13Å; F138-V280 HydrophobicContact CZ-CG1 4.19Å; F138-W285 HydrophobicContact CB-CZ3 4.49Å; F138-W285 AromaticContact CD1-CZ3 3.81Å; F138-W285 HydrophobicContact CD1-CZ3 3.81Å; F138-W285 HydrophobicContact CE1-CZ3 4.44Å; F138-W285 HydrophobicContact CG-CZ3 4.37Å; F138-V286 HydrophobicContact CD1-CG2 4.24Å; F138-V286 HydrophobicContact CE1-CG2 3.9Å
139	R	94.5	Very high	95.6	Very high	24 Å²	24	29.1 Å²	29.1	9%	0.091	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-36.9	174.5	-75.7	174.8	71.2	136.4	12.2	113.1	R135 I137 C143 V286 A287 G288 L292	R135-R139 HydrophobicContact CG-CG 4.42Å; R135-R139 WeakPolarHBondContact O-CB 3.39Å; R135-R139 WeakPolarHBondContact O-CG 3.2Å; R135-R139 PolarHBondContact O-N 3.38Å; I137-R139 VanDerWaalsContact C-N 3.31Å; I137-R139 PolarHBondContact O-N 3.47Å; R139-C143 WeakPolarHBondContact O-CB 3.31Å; R139-C143 PolarHBondContact O-N 2.76Å; R139-V286 WeakPolarHBondContact CD-O 3.48Å; R139-V286 HydrophobicContact CG-CG1 3.99Å; R139-V286 PolarHBondContact NH1-O 3.23Å; R139-A287 PolarHBondContact NH1-O 3.24Å; R139-G288 PolarHBondContact NH1-O 3.48Å; R139-L292 VanDerWaalsContact NH2-CB 3.26Å
140	Q	95.5	Very high	95.4	Very high	11 Å²	11	29.4 Å²	29.4	5%	0.051	14%	0.143	C	C	.	.	H	α-helix	trans	-69.3	-40.2	178	-66.1	177.3	-13.5	0	0	111.2	Y93 K136 I137 F138 C143 A144 C170 I171	Y93-Q140 HydrophobicContact CD1-CB 4.13Å; Y93-Q140 HydrophobicContact CD1-CG 4.1Å; Y93-Q140 HydrophobicContact CD2-CB 3.83Å; Y93-Q140 HydrophobicContact CD2-CG 4.08Å; Y93-Q140 HydrophobicContact CE1-CB 4.34Å; Y93-Q140 HydrophobicContact CE1-CG 3.82Å; Y93-Q140 HydrophobicContact CE2-CB 4.07Å; Y93-Q140 HydrophobicContact CE2-CG 3.8Å; Y93-Q140 HydrophobicContact CG-CB 3.89Å; Y93-Q140 HydrophobicContact CG-CG 4.25Å; K136-Q140 WeakPolarHBondContact O-CG 3.31Å; K136-Q140 PolarHBondContact O-N 3.16Å; I137-Q140 WeakPolarHBondContact O-CB 3.27Å; I137-Q140 PolarHBondContact O-N 3.08Å; F138-Q140 VanDerWaalsContact C-N 3.29Å; F138-Q140 PolarHBondContact O-N 3.38Å; Q140-C143 WeakPolarHBondContact O-CB 3.49Å; Q140-C143 PolarHBondContact O-N 3.35Å; Q140-A144 PolarHBondContact O-N 3.44Å; Q140-C170 VanDerWaalsContact OE1-CA 3.28Å; Q140-I171 HydrophobicContact CB-CB 4.05Å; Q140-I171 HydrophobicContact CB-CG1 4.34Å
141	I	97.4	Very high	95.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60	-53.1	174.4	-62.5	166.8	0	0	0	110.1	I137 F138 C143 A144 L145 L163 I171 I173 I221	I137-I141 HydrophobicContact CG2-CD1 3.91Å; I137-I141 WeakPolarHBondContact O-CG1 3.45Å; I137-I141 PolarHBondContact O-N 3.43Å; I137-I141 VanDerWaalsContact O-N 3.12Å; F138-I141 PolarHBondContact O-N 3.17Å; I141-C143 VanDerWaalsContact C-N 3.3Å; I141-C143 PolarHBondContact O-N 3.5Å; I141-A144 PolarHBondContact O-N 2.87Å; I141-L145 WeakPolarHBondContact O-CB 3.45Å; I141-L145 PolarHBondContact O-N 3.05Å; I141-L163 HydrophobicContact CD1-CD1 3.58Å; I141-L163 HydrophobicContact CG1-CD1 4.13Å; I141-L163 HydrophobicContact CG1-CD2 4.29Å; I141-I171 HydrophobicContact CG1-CG1 4.35Å; I141-I171 HydrophobicContact CG1-CG2 4.09Å; I141-I173 HydrophobicContact CG2-CD1 4.38Å; I141-I221 HydrophobicContact CD1-CG2 4Å
142	I	95.7	Very high	95.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.9	-35.2	-179.1	-66.4	-58.7	0	0	0	111.8	F138 L145 D146 C218 M266 L277 V280 F281	F138-I142 HydrophobicContact CD1-CG1 4.01Å; F138-I142 HydrophobicContact CD2-CG1 4.33Å; F138-I142 HydrophobicContact CE1-CD1 4.22Å; F138-I142 HydrophobicContact CE1-CG1 3.56Å; F138-I142 HydrophobicContact CE2-CD1 4Å; F138-I142 HydrophobicContact CE2-CG1 3.89Å; F138-I142 HydrophobicContact CG-CG1 4.38Å; F138-I142 HydrophobicContact CZ-CD1 3.66Å; F138-I142 HydrophobicContact CZ-CG1 3.49Å; F138-I142 VanDerWaalsContact CZ-CG1 3.49Å; F138-I142 WeakPolarHBondContact O-CG1 2.95Å; F138-I142 PolarHBondContact O-N 2.49Å; I142-L145 PolarHBondContact O-N 3.3Å; I142-D146 PolarHBondContact O-N 3.25Å; I142-C218 HydrophobicContact CD1-CB 4.04Å; I142-M266 HydrophobicContact CD1-CE 4.38Å; I142-L277 HydrophobicContact CD1-CD1 3.92Å; I142-L277 HydrophobicContact CG2-CD1 4Å; I142-V280 HydrophobicContact CD1-CG1 3.95Å; I142-V280 HydrophobicContact CG1-CG1 4.12Å; I142-V280 HydrophobicContact CG2-CG1 4.2Å; I142-F281 HydrophobicContact CG2-CD1 4.31Å; I142-F281 HydrophobicContact CG2-CD2 3.61Å; I142-F281 HydrophobicContact CG2-CE1 4.04Å; I142-F281 HydrophobicContact CG2-CE2 3.23Å; I142-F281 HydrophobicContact CG2-CG 4.13Å; I142-F281 HydrophobicContact CG2-CZ 3.52Å; I142-F281 WeakPolarHBondContact O-CE2 3.43Å; I142-F281 WeakPolarHBondContact O-CZ 3.34Å
143	C	94.5	Very high	95.3	Very high	16 Å²	16	16.4 Å²	16.4	11%	0.108	8%	0.075	C	C	.	.	H	α-helix	trans	-60.4	-49.3	171.6	-172.8	0	0	0	0	113	H91 Y93 R139 Q140 I141 L145 D146 Y147 V294	H91-C143 PolarHBondContact NE2-SG 3.03Å; Y93-C143 HydrophobicContact CD2-CB 4Å; Y93-C143 HydrophobicContact CE2-CB 4.25Å; R139-C143 WeakPolarHBondContact O-CB 3.31Å; R139-C143 PolarHBondContact O-N 2.76Å; Q140-C143 WeakPolarHBondContact O-CB 3.49Å; Q140-C143 PolarHBondContact O-N 3.35Å; I141-C143 VanDerWaalsContact C-N 3.3Å; I141-C143 PolarHBondContact O-N 3.5Å; C143-L145 VanDerWaalsContact C-N 3.33Å; C143-L145 PolarHBondContact O-N 3.5Å; C143-D146 PolarHBondContact O-N 3.46Å; C143-Y147 PolarHBondContact O-N 3.31Å; C143-V294 HydrophobicContact CB-CG1 4.14Å; C143-V294 VanDerWaalsContact SG-CG1 3.5Å
144	A	96.3	Very high	95.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.3	-39.8	175	0	0	0	0	0	112.3	I94 Q140 I141 Y147 C148 I173	I94-A144 HydrophobicContact CD1-CB 4.25Å; I94-A144 HydrophobicContact CG1-CB 3.74Å; Q140-A144 PolarHBondContact O-N 3.44Å; I141-A144 PolarHBondContact O-N 2.87Å; A144-Y147 WeakPolarHBondContact O-CB 3.38Å; A144-Y147 PolarHBondContact O-N 2.98Å; A144-C148 PolarHBondContact O-N 3.18Å; A144-C148 PolarHBondContact O-SG 3.26Å; A144-I173 HydrophobicContact CB-CD1 3.47Å; A144-I173 VanDerWaalsContact CB-CD1 3.47Å; A144-I173 HydrophobicContact CB-CG1 3.99Å
145	L	96.5	Very high	95.4	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-67.7	-37.8	-179.1	-166.4	62.8	0	0	0	112.3	I141 I142 C143 Y147 C148 H149 L158 D214 L277	I141-L145 WeakPolarHBondContact O-CB 3.45Å; I141-L145 PolarHBondContact O-N 3.05Å; I142-L145 PolarHBondContact O-N 3.3Å; C143-L145 VanDerWaalsContact C-N 3.33Å; C143-L145 PolarHBondContact O-N 3.5Å; L145-Y147 VanDerWaalsContact C-N 3.26Å; L145-Y147 PolarHBondContact O-N 3Å; L145-C148 PolarHBondContact O-N 3.28Å; L145-H149 VanDerWaalsContact CD1-NE2 3.31Å; L145-H149 WeakPolarHBondContact CD1-NE2 3.47Å; L145-H149 WeakPolarHBondContact O-CB 3.26Å; L145-H149 PolarHBondContact O-N 2.89Å; L145-L158 HydrophobicContact CD1-CD1 4.02Å; L145-L158 HydrophobicContact CD2-CD1 4.29Å; L145-D214 HydrophobicContact CD1-CB 3.98Å; L145-D214 HydrophobicContact CD2-CB 3.9Å; L145-D214 HydrophobicContact CG-CB 4.49Å; L145-L277 HydrophobicContact CB-CD2 4.48Å; L145-L277 HydrophobicContact CD2-CD1 4.16Å; L145-L277 HydrophobicContact CG-CD2 4.31Å
146	D	95	Very high	95.5	Very high	9 Å²	9	13.1 Å²	13.1	5%	0.048	6%	0.061	C	C	.	.	H	α-helix	trans	-56.1	-45.6	172.6	-163.9	60.1	0	0	0	111	I142 C143 H149 A150 L277 F281 R296 S297	I142-D146 PolarHBondContact O-N 3.25Å; C143-D146 PolarHBondContact O-N 3.46Å; D146-H149 PolarHBondContact O-N 3.09Å; D146-A150 WeakPolarHBondContact O-CB 3.42Å; D146-A150 PolarHBondContact O-N 3.27Å; D146-L277 VanDerWaalsContact CA-CD2 3.49Å; D146-L277 HydrophobicContact CB-CD2 4.15Å; D146-F281 HydrophobicContact CB-CE2 3.49Å; D146-F281 VanDerWaalsContact CB-CE2 3.49Å; D146-F281 HydrophobicContact CB-CZ 3.68Å; D146-R296 IonicContact OD1-NE 2.66Å; D146-R296 IonicContact OD1-NH2 3.45Å; D146-R296 WeakPolarHBondContact OD2-CA 3.34Å; D146-S297 PolarHBondContact OD2-N 3.46Å
147	Y	95	Very high	95.6	Very high	36 Å²	36	9.7 Å²	9.7	14%	0.141	5%	0.047	C	C	.	.	H	α-helix	trans	-63.1	-48	178.2	178.1	-92.9	0	0	0	111.3	I89 D90 H91 I94 C143 A144 L145 H149 A150 H151 S297	I89-Y147 HydrophobicContact CB-CE1 3.79Å; I89-Y147 HydrophobicContact CG2-CE1 3.94Å; D90-Y147 PolarHBondContact N-OH 3.28Å; H91-Y147 HydrophobicContact CB-CD1 3.72Å; H91-Y147 HydrophobicContact CB-CE1 3.98Å; H91-Y147 HydrophobicContact CB-CG 4.05Å; H91-Y147 AromaticContact CD2-CG 3.77Å; I94-Y147 HydrophobicContact CD1-CD1 3.9Å; I94-Y147 HydrophobicContact CD1-CE1 4.46Å; C143-Y147 PolarHBondContact O-N 3.31Å; A144-Y147 WeakPolarHBondContact O-CB 3.38Å; A144-Y147 PolarHBondContact O-N 2.98Å; L145-Y147 VanDerWaalsContact C-N 3.26Å; L145-Y147 PolarHBondContact O-N 3Å; Y147-H149 PolarHBondContact O-N 3Å; Y147-A150 PolarHBondContact O-N 3.25Å; Y147-H151 AromaticContact CD2-CE1 3.7Å; Y147-H151 AromaticContact CE1-CE1 3.99Å; Y147-H151 AromaticContact CE2-CE1 3.17Å; Y147-H151 WeakPolarHBondContact CE2-CE1 3.44Å; Y147-H151 AromaticContact CE2-ND1 3.88Å; Y147-H151 AromaticContact CE2-NE2 3.84Å; Y147-H151 AromaticContact CZ-CE1 3.34Å; Y147-H151 AromaticContact CZ-ND1 3.87Å; Y147-H151 AromaticContact CZ-NE2 3.66Å; Y147-H151 PolarHBondContact O-N 3.36Å; Y147-H151 VanDerWaalsContact O-N 3.14Å; Y147-H151 PolarHBondContact O-ND1 2.93Å; Y147-H151 PolarHBondContact OH-NE2 3.47Å; Y147-S297 WeakPolarHBondContact CA-OG 3.39Å
148	C	96.6	Very high	95.7	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.014	5%	0.047	C	C	.	.	H	α-helix	trans	-58.1	-49.5	175.1	-70.3	0	0	0	0	112	I94 A144 L145 A150 H151 N152 I153	I94-C148 WeakPolarHBondContact CD1-SG 3.44Å; A144-C148 PolarHBondContact O-N 3.18Å; A144-C148 PolarHBondContact O-SG 3.26Å; L145-C148 PolarHBondContact O-N 3.28Å; C148-A150 VanDerWaalsContact C-N 3.31Å; C148-A150 PolarHBondContact O-N 2.63Å; C148-H151 CarbonylContact O-C 3.56Å; C148-H151 VanDerWaalsContact O-C 3.3Å; C148-H151 WeakPolarHBondContact O-CA 3.34Å; C148-H151 WeakPolarHBondContact O-CB 3.33Å; C148-H151 PolarHBondContact O-N 2.87Å; C148-N152 PolarHBondContact O-N 2.85Å; C148-N152 VanDerWaalsContact O-N 3.15Å; C148-I153 CarbonylContact C-O 3.44Å; C148-I153 VanDerWaalsContact C-O 3.3Å; C148-I153 HydrophobicContact CB-CB 4.32Å; C148-I153 HydrophobicContact CB-CG2 4.47Å; C148-I153 WeakPolarHBondContact CB-O 3.3Å; C148-I153 PolarHBondContact O-N 3.35Å
149	H	95.3	Very high	95.7	Very high	14 Å²	14	11.3 Å²	11.3	7%	0.065	5%	0.054	C	C	.	.	H	α-helix	trans	-66.3	-31.8	-178.4	-73.4	-169.8	0	0	0	112.6	L145 D146 Y147 H151 N152 I153 K211 D214 L277	L145-H149 VanDerWaalsContact CD1-NE2 3.31Å; L145-H149 WeakPolarHBondContact CD1-NE2 3.47Å; L145-H149 WeakPolarHBondContact O-CB 3.26Å; L145-H149 PolarHBondContact O-N 2.89Å; D146-H149 PolarHBondContact O-N 3.09Å; Y147-H149 PolarHBondContact O-N 3Å; H149-H151 PolarHBondContact O-N 2.98Å; H149-N152 PolarHBondContact O-N 3.04Å; H149-N152 VanDerWaalsContact O-N 3.07Å; H149-I153 PolarHBondContact CD2-O 3.14Å; H149-K211 HydrophobicContact CB-CD 4.11Å; H149-K211 HydrophobicContact CB-CG 4.42Å; H149-K211 VanDerWaalsContact CE1-CA 3.45Å; H149-K211 WeakPolarHBondContact CE1-CA 3.48Å; H149-K211 PolarHBondContact CE1-O 2.84Å; H149-K211 PolarHBondContact O-NZ 2.88Å; H149-D214 IonicContact CD2-OD2 3.31Å; H149-D214 IonicContact CE1-OD2 3.96Å; H149-D214 IonicContact NE2-OD2 3.46Å; H149-D214 PolarHBondContact NE2-OD2 3.44Å; H149-L277 HydrophobicContact CB-CD2 4.35Å
150	A	92.6	Very high	95.9	Very high	13 Å²	13	10.2 Å²	10.2	11%	0.107	5%	0.05	C	C	.	.	H	α-helix	trans	-68.6	-22.9	171	0	0	0	0	0	112.9	D146 Y147 C148 N152 P299 M300	D146-A150 WeakPolarHBondContact O-CB 3.42Å; D146-A150 PolarHBondContact O-N 3.27Å; Y147-A150 PolarHBondContact O-N 3.25Å; C148-A150 VanDerWaalsContact C-N 3.31Å; C148-A150 PolarHBondContact O-N 2.63Å; A150-N152 VanDerWaalsContact C-N 3.32Å; A150-P299 WeakPolarHBondContact O-CA 3.5Å; A150-M300 PolarHBondContact O-N 3.33Å
151	H	92.7	Very high	95.9	Very high	20 Å²	20	12.3 Å²	12.3	9%	0.093	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	12.1	170.2	-67	66.2	0	0	0	112.1	Y147 C148 H149 I153 M300	Y147-H151 AromaticContact CD2-CE1 3.7Å; Y147-H151 AromaticContact CE1-CE1 3.99Å; Y147-H151 AromaticContact CE2-CE1 3.17Å; Y147-H151 WeakPolarHBondContact CE2-CE1 3.44Å; Y147-H151 AromaticContact CE2-ND1 3.88Å; Y147-H151 AromaticContact CE2-NE2 3.84Å; Y147-H151 AromaticContact CZ-CE1 3.34Å; Y147-H151 AromaticContact CZ-ND1 3.87Å; Y147-H151 AromaticContact CZ-NE2 3.66Å; Y147-H151 PolarHBondContact O-N 3.36Å; Y147-H151 VanDerWaalsContact O-N 3.14Å; Y147-H151 PolarHBondContact O-ND1 2.93Å; Y147-H151 PolarHBondContact OH-NE2 3.47Å; C148-H151 CarbonylContact O-C 3.56Å; C148-H151 VanDerWaalsContact O-C 3.3Å; C148-H151 WeakPolarHBondContact O-CA 3.34Å; C148-H151 WeakPolarHBondContact O-CB 3.33Å; C148-H151 PolarHBondContact O-N 2.87Å; H149-H151 PolarHBondContact O-N 2.98Å; H151-I153 HydrophobicContact CB-CD1 3.95Å; H151-I153 HydrophobicContact CB-CG1 4.39Å; H151-I153 PolarHBondContact O-N 3.33Å; H151-M300 PolarHBondContact CD2-SD 3.33Å
152	N	93.5	Very high	95.9	Very high	11 Å²	11	13 Å²	13	6%	0.059	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	21.3	-177	-71.9	-29.1	0	0	0	114.2	C148 H149 A150 L181 Q182 K211	C148-N152 PolarHBondContact O-N 2.85Å; C148-N152 VanDerWaalsContact O-N 3.15Å; H149-N152 PolarHBondContact O-N 3.04Å; H149-N152 VanDerWaalsContact O-N 3.07Å; A150-N152 VanDerWaalsContact C-N 3.32Å; N152-L181 HydrophobicContact CB-CG 4.21Å; N152-L181 CarbonylContact O-C 3.55Å; N152-L181 VanDerWaalsContact O-CA 3.28Å; N152-L181 WeakPolarHBondContact O-CA 3.3Å; N152-Q182 WeakPolarHBondContact CB-O 3.39Å; N152-Q182 PolarHBondContact O-N 3.12Å; N152-K211 PolarHBondContact OD1-NZ 2.94Å
153	I	96	Very high	96	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.2	178.4	-66.5	160.1	0	0	0	108.8	I85 L88 I89 C148 H149 H151 F176 A179 L181	I85-I153 HydrophobicContact CG2-CD1 4.1Å; I85-I153 HydrophobicContact CG2-CG1 4.41Å; I85-I153 HydrophobicContact CG2-CG2 3.82Å; L88-I153 HydrophobicContact CB-CD1 4.1Å; L88-I153 HydrophobicContact CD1-CD1 4.47Å; I89-I153 HydrophobicContact CG2-CD1 3.38Å; C148-I153 CarbonylContact C-O 3.44Å; C148-I153 VanDerWaalsContact C-O 3.3Å; C148-I153 HydrophobicContact CB-CB 4.32Å; C148-I153 HydrophobicContact CB-CG2 4.47Å; C148-I153 WeakPolarHBondContact CB-O 3.3Å; C148-I153 PolarHBondContact O-N 3.35Å; H149-I153 PolarHBondContact CD2-O 3.14Å; H151-I153 HydrophobicContact CB-CD1 3.95Å; H151-I153 HydrophobicContact CB-CG1 4.39Å; H151-I153 PolarHBondContact O-N 3.33Å; I153-F176 HydrophobicContact CG2-CD1 4.33Å; I153-F176 HydrophobicContact CG2-CE1 4.31Å; I153-A179 HydrophobicContact CG2-CB 4.3Å; I153-L181 HydrophobicContact CG1-CD1 4.25Å
154	C	96.7	Very high	96.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	137.2	169.4	-54.1	0	0	0	0	109.1	R156 A179 S180 Q182 K211 D214	C154-R156 HydrophobicContact CB-CG 3.87Å; C154-A179 WeakPolarHBondContact O-CA 3.44Å; C154-A179 WeakPolarHBondContact O-CB 3.43Å; C154-S180 PolarHBondContact N-O 3.2Å; C154-S180 PolarHBondContact O-N 3.37Å; C154-Q182 PolarHBondContact SG-OE1 3Å; C154-K211 PolarHBondContact SG-N 3.22Å; C154-D214 VanDerWaalsContact CA-OD2 3.3Å; C154-D214 WeakPolarHBondContact CA-OD2 3.49Å
155	H	97.3	Very high	96.2	Very high	3 Å²	3	14 Å²	14	1%	0.014	7%	0.067	C	C	.	.			trans	-79.8	-45.2	-176.1	-170.6	-74.8	0	0	0	112.1	D157 L158 A174 D175 F176 M178 D214	H155-D157 PolarHBondContact CE1-O 3.29Å; H155-D157 VanDerWaalsContact ND1-C 3.33Å; H155-D157 PolarHBondContact ND1-N 2.97Å; H155-D157 PolarHBondContact ND1-O 3.22Å; H155-D157 PolarHBondContact O-N 3.5Å; H155-L158 HydrophobicContact CB-CD1 4.2Å; H155-L158 HydrophobicContact CB-CD2 4.1Å; H155-L158 HydrophobicContact CB-CG 3.8Å; H155-L158 PolarHBondContact ND1-N 3.21Å; H155-A174 PolarHBondContact NE2-O 3.11Å; H155-D175 PolarHBondContact CE1-O 2.95Å; H155-D175 PolarHBondContact NE2-O 3.26Å; H155-F176 AromaticContact CD2-CE1 3.77Å; H155-F176 AromaticContact CD2-CZ 3.83Å; H155-M178 CarbonylContact O-C 3.53Å; H155-D214 PolarHBondContact N-OD1 2.86Å; H155-D214 PolarHBondContact N-OD2 2.95Å
156	R	96.3	Very high	96.2	Very high	25 Å²	25	15.9 Å²	15.9	9%	0.094	8%	0.078	C	C	.	.	S	Bend	trans	66.4	-7.4	173	-45.4	-173.1	-54.5	166.6	-5.5	117.4	C154 M178 S180 L188 D214	C154-R156 HydrophobicContact CB-CG 3.87Å; R156-M178 PolarHBondContact NE-O 3.36Å; R156-M178 PolarHBondContact NH2-O 2.88Å; R156-S180 WeakPolarHBondContact CD-OG 3.2Å; R156-S180 PolarHBondContact NE-OG 3.36Å; R156-L188 VanDerWaalsContact CD-CD1 3.49Å; R156-L188 HydrophobicContact CG-CD1 4.48Å; R156-D214 PolarHBondContact N-OD1 3.5Å
157	D	96.6	Very high	96.1	Very high	16 Å²	16	23.8 Å²	23.8	9%	0.086	11%	0.114	C	C	.	.			trans	-134.6	50.9	168.3	-165.6	40.3	0	0	0	111.5	H155 K159 N162 M178 G193 S194	H155-D157 PolarHBondContact CE1-O 3.29Å; H155-D157 VanDerWaalsContact ND1-C 3.33Å; H155-D157 PolarHBondContact ND1-N 2.97Å; H155-D157 PolarHBondContact ND1-O 3.22Å; H155-D157 PolarHBondContact O-N 3.5Å; D157-K159 PolarHBondContact O-N 2.92Å; D157-K159 WeakPolarHBondContact OD2-CE 3.31Å; D157-K159 IonicContact OD2-NZ 3.94Å; D157-K159 PolarHBondContact OD2-NZ 3.42Å; D157-N162 PolarHBondContact O-ND2 2.6Å; D157-N162 PolarHBondContact OD2-ND2 3.16Å; D157-M178 HydrophobicContact CB-CB 4.13Å; D157-M178 HydrophobicContact CB-CG 4.25Å; D157-G193 VanDerWaalsContact OD1-CA 3.29Å; D157-G193 WeakPolarHBondContact OD1-CA 3.29Å; D157-S194 PolarHBondContact OD1-N 2.93Å; D157-S194 PolarHBondContact OD1-OG 3.35Å
158	L	98.5	Very high	95.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.144	C	C	.	.			trans	-74.6	121.3	174.9	-75.5	169.2	0	0	0	110.3	L145 H155 I173 Y197 D214 I221	L145-L158 HydrophobicContact CD1-CD1 4.02Å; L145-L158 HydrophobicContact CD2-CD1 4.29Å; H155-L158 HydrophobicContact CB-CD1 4.2Å; H155-L158 HydrophobicContact CB-CD2 4.1Å; H155-L158 HydrophobicContact CB-CG 3.8Å; H155-L158 PolarHBondContact ND1-N 3.21Å; L158-I173 HydrophobicContact CD2-CD1 4.3Å; L158-I173 HydrophobicContact CD2-CG2 4Å; L158-Y197 WeakPolarHBondContact O-CB 3.28Å; L158-D214 HydrophobicContact CD1-CB 3.99Å; L158-I221 HydrophobicContact CB-CD1 3.99Å
159	K	97.8	Very high	95.8	Very high	36 Å²	36	34.5 Å²	34.5	16%	0.157	16%	0.159	C	C	.	.			trans	-157.5	160.7	176.7	59.8	-177.8	168.4	-174.2	0	110.4	D157 E161 N162 L163 S194 Y197	D157-K159 PolarHBondContact O-N 2.92Å; D157-K159 WeakPolarHBondContact OD2-CE 3.31Å; D157-K159 IonicContact OD2-NZ 3.94Å; D157-K159 PolarHBondContact OD2-NZ 3.42Å; K159-E161 WeakPolarHBondContact CB-OE2 3.43Å; K159-E161 HydrophobicContact CD-CB 4.28Å; K159-E161 WeakPolarHBondContact CD-OE2 3.41Å; K159-E161 HydrophobicContact CG-CB 4.23Å; K159-E161 WeakPolarHBondContact CG-OE2 3.14Å; K159-E161 PolarHBondContact O-N 2.62Å; K159-N162 VanDerWaalsContact CE-ND2 3.33Å; K159-N162 WeakPolarHBondContact CE-ND2 3.36Å; K159-N162 HydrophobicContact CG-CB 4.12Å; K159-N162 PolarHBondContact O-N 2.69Å; K159-L163 WeakPolarHBondContact O-CG 3.45Å; K159-S194 WeakPolarHBondContact CD-OG 3.45Å; K159-S194 PolarHBondContact NZ-OG 3.01Å; K159-Y197 HydrophobicContact CB-CD1 4.23Å; K159-Y197 HydrophobicContact CB-CD2 3.61Å; K159-Y197 HydrophobicContact CB-CE1 4.26Å; K159-Y197 HydrophobicContact CB-CE2 3.61Å; K159-Y197 HydrophobicContact CB-CG 3.93Å
160	P	98	Very high	95.8	Very high	1 Å²	1	35 Å²	35	1%	0.006	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-55.4	-29.6	-178.9	-26.7	37	0	0	0	115.3	L119 F120 L123 N162 L163 Y197	L119-P160 HydrophobicContact CB-CB 4.32Å; L119-P160 WeakPolarHBondContact CB-O 3.49Å; L119-P160 HydrophobicContact CG-CB 4.36Å; L119-P160 PolarHBondContact N-O 3.34Å; F120-P160 HydrophobicContact CB-CB 3.91Å; F120-P160 HydrophobicContact CD2-CB 4.43Å; F120-P160 PolarHBondContact N-O 2.68Å; L123-P160 HydrophobicContact CD1-CB 4.49Å; L123-P160 HydrophobicContact CD1-CG 4.44Å; P160-N162 VanDerWaalsContact C-N 3.31Å; P160-L163 PolarHBondContact O-N 3.38Å; P160-Y197 VanDerWaalsContact CD-CE1 3.42Å; P160-Y197 WeakPolarHBondContact CD-OH 3.35Å; P160-Y197 HydrophobicContact CG-CE1 4.18Å
161	E	95.5	Very high	96	Very high	54 Å²	54	34.4 Å²	34.4	25%	0.252	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-66.2	-34.6	176	-58.2	92.6	132.7	0	0	111.5	F120 K159 L163	F120-E161 HydrophobicContact CB-CG 3.86Å; F120-E161 HydrophobicContact CD2-CG 4.13Å; F120-E161 HydrophobicContact CG-CG 3.96Å; K159-E161 WeakPolarHBondContact CB-OE2 3.43Å; K159-E161 HydrophobicContact CD-CB 4.28Å; K159-E161 WeakPolarHBondContact CD-OE2 3.41Å; K159-E161 HydrophobicContact CG-CB 4.23Å; K159-E161 WeakPolarHBondContact CG-OE2 3.14Å; K159-E161 PolarHBondContact O-N 2.62Å; E161-L163 PolarHBondContact O-N 2.77Å
162	N	97	Very high	96.3	Very high	15 Å²	15	34 Å²	34	8%	0.08	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-86.8	9.1	178.1	-69.6	-9.3	0	0	0	112.5	D157 K159 P160 A174 D175	D157-N162 PolarHBondContact O-ND2 2.6Å; D157-N162 PolarHBondContact OD2-ND2 3.16Å; K159-N162 VanDerWaalsContact CE-ND2 3.33Å; K159-N162 WeakPolarHBondContact CE-ND2 3.36Å; K159-N162 HydrophobicContact CG-CB 4.12Å; K159-N162 PolarHBondContact O-N 2.69Å; P160-N162 VanDerWaalsContact C-N 3.31Å; N162-A174 PolarHBondContact O-N 3.45Å; N162-D175 HydrophobicContact CB-CB 4.38Å
163	L	98.4	Very high	96.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	105	178.4	-63.4	176.2	0	0	0	109.3	L119 I141 K159 P160 E161 I171 I173 I221	L119-L163 HydrophobicContact CB-CB 3.91Å; L119-L163 VanDerWaalsContact CB-O 3.26Å; L119-L163 WeakPolarHBondContact CB-O 3.41Å; L119-L163 HydrophobicContact CD2-CB 3.99Å; L119-L163 HydrophobicContact CD2-CD1 3.63Å; L119-L163 HydrophobicContact CD2-CG 4.48Å; L119-L163 PolarHBondContact N-O 2.96Å; I141-L163 HydrophobicContact CD1-CD1 3.58Å; I141-L163 HydrophobicContact CG1-CD1 4.13Å; I141-L163 HydrophobicContact CG1-CD2 4.29Å; K159-L163 WeakPolarHBondContact O-CG 3.45Å; P160-L163 PolarHBondContact O-N 3.38Å; E161-L163 PolarHBondContact O-N 2.77Å; L163-I171 HydrophobicContact CB-CD1 4.28Å; L163-I171 HydrophobicContact CD2-CG2 4.07Å; L163-I173 HydrophobicContact CD2-CB 4.23Å; L163-I173 HydrophobicContact CD2-CD1 4.28Å; L163-I173 HydrophobicContact CD2-CG1 3.67Å; L163-I173 HydrophobicContact CD2-CG2 4.3Å; L163-I221 HydrophobicContact CD1-CD1 4.11Å; L163-I221 HydrophobicContact CD1-CG2 4.11Å
164	L	97.9	Very high	96.5	Very high	35 Å²	35	34.1 Å²	34.1	18%	0.183	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	150.9	179.8	-53	179.6	0	0	0	111.1	L95 V114 G117 E118 I171 K172 A174	L95-L164 HydrophobicContact CD1-CD1 4.23Å; V114-L164 HydrophobicContact CB-CB 4.15Å; V114-L164 HydrophobicContact CB-CD1 4.12Å; V114-L164 HydrophobicContact CG1-CB 3.66Å; V114-L164 HydrophobicContact CG2-CD1 4.43Å; G117-L164 CarbonylContact O-C 3.52Å; G117-L164 WeakPolarHBondContact O-CA 3.34Å; E118-L164 HydrophobicContact CG-CD2 3.83Å; L164-I171 CarbonylContact O-C 3.58Å; L164-I171 WeakPolarHBondContact O-CA 3.37Å; L164-K172 HydrophobicContact CB-CB 4.25Å; L164-K172 PolarHBondContact N-O 3.44Å; L164-K172 PolarHBondContact O-N 2.79Å; L164-A174 HydrophobicContact CD1-CB 3.99Å; L164-A174 HydrophobicContact CG-CB 4.06Å
165	L	98	Very high	96.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.2	174.9	-68.2	170.4	0	0	0	110.3	V114 G116 G117 L119 Y122 C170 I171	V114-L165 WeakPolarHBondContact CG1-O 3.34Å; G116-L165 CarbonylContact C-O 3.6Å; G116-L165 WeakPolarHBondContact CA-O 3.36Å; G116-L165 PolarHBondContact N-O 3.08Å; G117-L165 PolarHBondContact O-N 3.27Å; L119-L165 HydrophobicContact CD1-CD1 4.06Å; L119-L165 HydrophobicContact CD1-CD2 4.47Å; L119-L165 HydrophobicContact CD1-CG 4.5Å; Y122-L165 HydrophobicContact CD1-CD1 3.98Å; Y122-L165 HydrophobicContact CD2-CD1 3.81Å; Y122-L165 HydrophobicContact CE2-CD1 4.38Å; Y122-L165 HydrophobicContact CG-CD1 3.56Å; L165-C170 WeakPolarHBondContact CA-O 2.96Å; L165-I171 HydrophobicContact CD2-CD1 3.56Å; L165-I171 HydrophobicContact CD2-CG1 4.28Å; L165-I171 HydrophobicContact CG-CD1 4.45Å
166	D	95.7	Very high	96.2	Very high	42 Å²	42	37.2 Å²	37.2	23%	0.225	18%	0.175	C	C	.	.			trans	-77.9	178.1	166.5	74.2	12.1	0	0	0	112	V114 R168 N169 C170	V114-D166 HydrophobicContact CG1-CB 4.33Å; D166-R168 PolarHBondContact O-N 3.22Å; D166-R168 VanDerWaalsContact OD1-CA 3.32Å; D166-R168 WeakPolarHBondContact OD1-CA 3.27Å; D166-R168 WeakPolarHBondContact OD1-CB 3.38Å; D166-R168 PolarHBondContact OD1-N 2.81Å; D166-N169 PolarHBondContact O-N 3.24Å; D166-N169 PolarHBondContact OD1-N 3.4Å; D166-C170 PolarHBondContact N-O 2.72Å; D166-C170 WeakPolarHBondContact OD1-CB 3.5Å; D166-C170 PolarHBondContact OD1-N 3.31Å; D166-C170 WeakPolarHBondContact OD2-CB 3.38Å
167	E	92.4	Very high	96	Very high	175 Å²	175	37 Å²	37	82%	0.818	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.8	179.5	-62	161.9	-170.5	0	0	113.7
168	R	92	Very high	95.8	Very high	204 Å²	204	38.8 Å²	38.8	77%	0.77	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105	13.6	178.9	-58.8	179.5	-179.1	-178.7	-0	112	K136 D166 C170	K136-R168 PolarHBondContact NZ-O 2.86Å; K136-R168 VanDerWaalsContact NZ-O 3.08Å; D166-R168 PolarHBondContact O-N 3.22Å; D166-R168 VanDerWaalsContact OD1-CA 3.32Å; D166-R168 WeakPolarHBondContact OD1-CA 3.27Å; D166-R168 WeakPolarHBondContact OD1-CB 3.38Å; D166-R168 PolarHBondContact OD1-N 2.81Å; R168-C170 PolarHBondContact O-N 2.99Å
169	N	92.6	Very high	95.6	Very high	60 Å²	60	38.9 Å²	38.9	32%	0.321	19%	0.19	S	C	.	.	S	Bend	trans	49.6	47.4	-172	-60.8	-30.4	0	0	0	111	Y122 K136 D166	Y122-N169 PolarHBondContact OH-ND2 2.84Å; K136-N169 PolarHBondContact NZ-O 2.72Å; K136-N169 VanDerWaalsContact NZ-O 3.11Å; D166-N169 PolarHBondContact O-N 3.24Å; D166-N169 PolarHBondContact OD1-N 3.4Å
170	C	96	Very high	95.4	Very high	24 Å²	24	37.5 Å²	37.5	16%	0.162	19%	0.185	C	C	.	.			trans	-104.3	141.2	166.8	-58.6	0	0	0	0	110	Q140 L165 D166 R168	Q140-C170 VanDerWaalsContact OE1-CA 3.28Å; L165-C170 WeakPolarHBondContact CA-O 2.96Å; D166-C170 PolarHBondContact N-O 2.72Å; D166-C170 WeakPolarHBondContact OD1-CB 3.5Å; D166-C170 PolarHBondContact OD1-N 3.31Å; D166-C170 WeakPolarHBondContact OD2-CB 3.38Å; R168-C170 PolarHBondContact O-N 2.99Å
171	I	97.9	Very high	95.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	142.7	-174	-67	-71.3	0	0	0	111.7	Y93 L119 I137 Q140 I141 L163 L164 L165 I173	Y93-I171 VanDerWaalsContact CA-O 3.29Å; Y93-I171 WeakPolarHBondContact CA-O 3.49Å; L119-I171 HydrophobicContact CD2-CD1 4.05Å; I137-I171 HydrophobicContact CB-CG1 4.46Å; I137-I171 HydrophobicContact CG2-CD1 3.8Å; I137-I171 HydrophobicContact CG2-CG1 3.87Å; Q140-I171 HydrophobicContact CB-CB 4.05Å; Q140-I171 HydrophobicContact CB-CG1 4.34Å; I141-I171 HydrophobicContact CG1-CG1 4.35Å; I141-I171 HydrophobicContact CG1-CG2 4.09Å; L163-I171 HydrophobicContact CB-CD1 4.28Å; L163-I171 HydrophobicContact CD2-CG2 4.07Å; L164-I171 CarbonylContact O-C 3.58Å; L164-I171 WeakPolarHBondContact O-CA 3.37Å; L165-I171 HydrophobicContact CD2-CD1 3.56Å; L165-I171 HydrophobicContact CD2-CG1 4.28Å; L165-I171 HydrophobicContact CG-CD1 4.45Å; I171-I173 HydrophobicContact CG2-CG1 4.12Å
172	K	98.2	Very high	95	Very high	13 Å²	13	35.8 Å²	35.8	6%	0.057	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	105.7	164	-63.5	-69.2	-169.5	158.7	0	108.1	P92 Y93 L95 E112 V114 L164 A174	P92-K172 WeakPolarHBondContact O-CD 3.48Å; P92-K172 VanDerWaalsContact O-CE 3.3Å; P92-K172 WeakPolarHBondContact O-CE 3.13Å; P92-K172 PolarHBondContact O-NZ 3.43Å; Y93-K172 WeakPolarHBondContact O-CA 3.44Å; L95-K172 HydrophobicContact CD1-CB 4.42Å; E112-K172 WeakPolarHBondContact OE1-CE 3.33Å; E112-K172 IonicContact OE1-NZ 2.63Å; E112-K172 PolarHBondContact OE1-NZ 3.02Å; E112-K172 WeakPolarHBondContact OE2-CE 3.35Å; E112-K172 IonicContact OE2-NZ 3.9Å; E112-K172 PolarHBondContact OE2-NZ 2.93Å; V114-K172 HydrophobicContact CG1-CB 4.47Å; V114-K172 HydrophobicContact CG1-CG 4.18Å; V114-K172 HydrophobicContact CG2-CB 4.11Å; V114-K172 HydrophobicContact CG2-CG 3.8Å; L164-K172 HydrophobicContact CB-CB 4.25Å; L164-K172 PolarHBondContact N-O 3.44Å; L164-K172 PolarHBondContact O-N 2.79Å; K172-A174 PolarHBondContact O-N 3.36Å
173	I	98.6	Very high	94.4	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	125.5	172.3	-53.3	-166.6	0	0	0	108.2	Y93 L95 I141 A144 L158 L163 I171 F176	Y93-I173 PolarHBondContact O-N 3.44Å; L95-I173 VanDerWaalsContact CB-O 3.32Å; L95-I173 WeakPolarHBondContact CB-O 3.47Å; L95-I173 PolarHBondContact N-O 3.14Å; I141-I173 HydrophobicContact CG2-CD1 4.38Å; A144-I173 HydrophobicContact CB-CD1 3.47Å; A144-I173 VanDerWaalsContact CB-CD1 3.47Å; A144-I173 HydrophobicContact CB-CG1 3.99Å; L158-I173 HydrophobicContact CD2-CD1 4.3Å; L158-I173 HydrophobicContact CD2-CG2 4Å; L163-I173 HydrophobicContact CD2-CB 4.23Å; L163-I173 HydrophobicContact CD2-CD1 4.28Å; L163-I173 HydrophobicContact CD2-CG1 3.67Å; L163-I173 HydrophobicContact CD2-CG2 4.3Å; I171-I173 HydrophobicContact CG2-CG1 4.12Å; I173-F176 HydrophobicContact CG2-CE2 4.18Å; I173-F176 HydrophobicContact CG2-CZ 4.18Å
174	A	95.7	Very high	93.6	Very high	10 Å²	10	43 Å²	43	8%	0.083	21%	0.213	C	C	.	.			trans	-123.1	173.4	-178.5	0	0	0	0	0	110.5	L95 H155 N162 L164 K172	L95-A174 HydrophobicContact CB-CB 4.2Å; L95-A174 HydrophobicContact CD2-CB 3.89Å; H155-A174 PolarHBondContact NE2-O 3.11Å; N162-A174 PolarHBondContact O-N 3.45Å; L164-A174 HydrophobicContact CD1-CB 3.99Å; L164-A174 HydrophobicContact CG-CB 4.06Å; K172-A174 PolarHBondContact O-N 3.36Å
175	D	92.7	Very high	92.8	Very high	68 Å²	68	45.5 Å²	45.5	36%	0.364	25%	0.247	S	C	.	.			trans	60	75	176.9	-159.2	-5.3	0	0	0	115.7	H155 N162 G177	H155-D175 PolarHBondContact CE1-O 2.95Å; H155-D175 PolarHBondContact NE2-O 3.26Å; N162-D175 HydrophobicContact CB-CB 4.38Å; D175-G177 PolarHBondContact O-N 2.88Å; D175-G177 PolarHBondContact OD1-N 2.9Å; D175-G177 VanDerWaalsContact OD1-N 3.1Å
176	F	95.2	Very high	92.3	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-86.2	18.7	171.5	-72.7	-102.4	0	0	0	112.1	E82 I85 M86 I89 I94 I153 H155 I173 M178 A179	E82-F176 HydrophobicContact CG-CB 4.46Å; I85-F176 HydrophobicContact CG2-CB 4.24Å; I85-F176 HydrophobicContact CG2-CD1 3.8Å; I85-F176 HydrophobicContact CG2-CG 4.32Å; M86-F176 HydrophobicContact CG-CB 4.36Å; I89-F176 HydrophobicContact CD1-CD1 3.94Å; I89-F176 HydrophobicContact CD1-CD2 4.29Å; I89-F176 HydrophobicContact CD1-CE1 3.58Å; I89-F176 HydrophobicContact CD1-CE2 3.96Å; I89-F176 HydrophobicContact CD1-CG 4.29Å; I89-F176 HydrophobicContact CD1-CZ 3.6Å; I94-F176 HydrophobicContact CD1-CZ 4.45Å; I94-F176 HydrophobicContact CG2-CE2 3.77Å; I94-F176 HydrophobicContact CG2-CZ 3.87Å; I153-F176 HydrophobicContact CG2-CD1 4.33Å; I153-F176 HydrophobicContact CG2-CE1 4.31Å; H155-F176 AromaticContact CD2-CE1 3.77Å; H155-F176 AromaticContact CD2-CZ 3.83Å; I173-F176 HydrophobicContact CG2-CE2 4.18Å; I173-F176 HydrophobicContact CG2-CZ 4.18Å; F176-M178 PolarHBondContact O-N 2.78Å; F176-A179 HydrophobicContact CB-CB 3.8Å; F176-A179 HydrophobicContact CD1-CB 3.64Å; F176-A179 HydrophobicContact CG-CB 4.18Å; F176-A179 VanDerWaalsContact O-CB 3.3Å; F176-A179 WeakPolarHBondContact O-CB 3.32Å; F176-A179 PolarHBondContact O-N 3.49Å
177	G	90.9	Very high	92.1	Very high	20 Å²	20	50.1 Å²	50.1	21%	0.206	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-61.8	-26	-178.7	0	0	0	0	0	113.6	D175	D175-G177 PolarHBondContact O-N 2.88Å; D175-G177 PolarHBondContact OD1-N 2.9Å; D175-G177 VanDerWaalsContact OD1-N 3.1Å
178	M	92.5	Very high	92	Very high	53 Å²	53	42.8 Å²	42.8	26%	0.261	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-102.6	3.3	173.5	-57.8	-52.2	-76.2	0	0	113	H155 R156 D157 F176 C192	H155-M178 CarbonylContact O-C 3.53Å; R156-M178 PolarHBondContact NE-O 3.36Å; R156-M178 PolarHBondContact NH2-O 2.88Å; D157-M178 HydrophobicContact CB-CB 4.13Å; D157-M178 HydrophobicContact CB-CG 4.25Å; F176-M178 PolarHBondContact O-N 2.78Å; M178-C192 HydrophobicContact CE-CB 3.19Å
179	A	95.4	Very high	91.7	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.017	23%	0.231	C	C	.	.			trans	-70.1	155.2	-178.6	0	0	0	0	0	112.1	I85 I153 C154 F176	I85-A179 VanDerWaalsContact CD1-C 3.43Å; I85-A179 HydrophobicContact CD1-CB 3.68Å; I85-A179 VanDerWaalsContact CD1-O 3.29Å; I85-A179 WeakPolarHBondContact CD1-O 3.29Å; I85-A179 HydrophobicContact CG2-CB 4.13Å; I153-A179 HydrophobicContact CG2-CB 4.3Å; C154-A179 WeakPolarHBondContact O-CA 3.44Å; C154-A179 WeakPolarHBondContact O-CB 3.43Å; F176-A179 HydrophobicContact CB-CB 3.8Å; F176-A179 HydrophobicContact CD1-CB 3.64Å; F176-A179 HydrophobicContact CG-CB 4.18Å; F176-A179 VanDerWaalsContact O-CB 3.3Å; F176-A179 WeakPolarHBondContact O-CB 3.32Å; F176-A179 PolarHBondContact O-N 3.49Å
180	S	93.6	Very high	91.3	Very high	8 Å²	8	40 Å²	40	6%	0.056	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	148.9	175.5	60.1	0	0	0	0	111.4	C154 R156	C154-S180 PolarHBondContact N-O 3.2Å; C154-S180 PolarHBondContact O-N 3.37Å; R156-S180 WeakPolarHBondContact CD-OG 3.2Å; R156-S180 PolarHBondContact NE-OG 3.36Å
181	L	92.7	Very high	90.7	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	120.1	168.2	-161.9	122	0	0	0	109	L88 N152 I153 V183 C328 F329 V350	L88-L181 HydrophobicContact CD1-CD1 4.2Å; N152-L181 HydrophobicContact CB-CG 4.21Å; N152-L181 CarbonylContact O-C 3.55Å; N152-L181 VanDerWaalsContact O-CA 3.28Å; N152-L181 WeakPolarHBondContact O-CA 3.3Å; I153-L181 HydrophobicContact CG1-CD1 4.25Å; L181-V183 HydrophobicContact CD2-CG2 4.19Å; L181-C328 HydrophobicContact CB-CB 4.45Å; L181-C328 VanDerWaalsContact CD2-SG 3.55Å; L181-F329 HydrophobicContact CD2-CE1 3.93Å; L181-F329 HydrophobicContact CD2-CE2 4.17Å; L181-F329 HydrophobicContact CD2-CZ 3.45Å; L181-F329 VanDerWaalsContact CD2-CZ 3.45Å; L181-V350 HydrophobicContact CD1-CG2 4.19Å
182	Q	91.4	Very high	90.1	Very high	11 Å²	11	43 Å²	43	5%	0.051	26%	0.262	C	S	.	.			trans	-102	104.7	176.3	-174.9	-174.4	4.5	0	0	108.5	N152 C154 S186 L188 D209	N152-Q182 WeakPolarHBondContact CB-O 3.39Å; N152-Q182 PolarHBondContact O-N 3.12Å; C154-Q182 PolarHBondContact SG-OE1 3Å; Q182-S186 PolarHBondContact NE2-O 3.41Å; Q182-L188 HydrophobicContact CG-CG 4.44Å; Q182-D209 PolarHBondContact NE2-OD1 2.94Å; Q182-D209 VanDerWaalsContact NE2-OD1 3.09Å; Q182-D209 PolarHBondContact OE1-OD1 2.95Å
183	V	85.3	Confident	89.6	Confident	42 Å²	42	44 Å²	44	26%	0.255	28%	0.275	S	S	.	.			trans	-62.3	143	175.4	-177.6	0	0	0	0	109.2	L181 G185 S186 F329	L181-V183 HydrophobicContact CD2-CG2 4.19Å; V183-G185 PolarHBondContact O-N 3.02Å; V183-S186 PolarHBondContact N-OG 3.13Å; V183-S186 WeakPolarHBondContact O-CB 3.44Å; V183-S186 PolarHBondContact O-N 3.34Å; V183-S186 PolarHBondContact O-OG 2.88Å; V183-F329 HydrophobicContact CG2-CD1 4.43Å; V183-F329 HydrophobicContact CG2-CE1 4.13Å
184	E	81.7	Confident	89.3	Confident	124 Å²	124	45 Å²	45	58%	0.579	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	131.5	-177.8	-64.9	-174.5	176.9	0	0	111.4	S186	E184-S186 VanDerWaalsContact C-N 3.27Å; E184-S186 PolarHBondContact O-N 2.93Å
185	G	80.6	Confident	89.3	Confident	88 Å²	88	46.6 Å²	46.6	91%	0.907	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-10.7	-176.7	0	0	0	0	0	115.4	V183	V183-G185 PolarHBondContact O-N 3.02Å
186	S	87.6	Confident	89.5	Confident	45 Å²	45	45.8 Å²	45.8	32%	0.315	29%	0.286	S	S	.	.			trans	-84.6	150.2	174.6	72.1	0	0	0	0	112.5	Q182 V183 E184	Q182-S186 PolarHBondContact NE2-O 3.41Å; V183-S186 PolarHBondContact N-OG 3.13Å; V183-S186 WeakPolarHBondContact O-CB 3.44Å; V183-S186 PolarHBondContact O-N 3.34Å; V183-S186 PolarHBondContact O-OG 2.88Å; E184-S186 VanDerWaalsContact C-N 3.27Å; E184-S186 PolarHBondContact O-N 2.93Å
187	L	91	Very high	89.6	Confident	94 Å²	94	46.4 Å²	46.4	49%	0.492	29%	0.289	S	S	.	.			trans	-109.9	154.7	170.9	-61.4	178.7	0	0	0	110	K207 D209	L187-K207 HydrophobicContact CB-CB 3.9Å; L187-K207 HydrophobicContact CD1-CB 3.87Å; L187-D209 HydrophobicContact CD2-CB 4.23Å
188	L	89.8	Confident	89.9	Confident	21 Å²	21	45.9 Å²	45.9	11%	0.11	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-95.9	148.6	176.5	-59.7	174.2	0	0	0	110	R156 Q182 K207 Y208	R156-L188 VanDerWaalsContact CD-CD1 3.49Å; R156-L188 HydrophobicContact CG-CD1 4.48Å; Q182-L188 HydrophobicContact CG-CG 4.44Å; L188-K207 CarbonylContact O-C 3.57Å; L188-K207 VanDerWaalsContact O-CA 3.27Å; L188-K207 WeakPolarHBondContact O-CA 3.31Å; L188-Y208 HydrophobicContact CB-CD1 4.15Å; L188-Y208 HydrophobicContact CB-CD2 4.43Å; L188-Y208 HydrophobicContact CB-CE1 3.67Å; L188-Y208 HydrophobicContact CB-CE2 4.02Å; L188-Y208 HydrophobicContact CB-CG 4.5Å; L188-Y208 HydrophobicContact CD1-CE2 3.95Å; L188-Y208 PolarHBondContact N-O 3.35Å; L188-Y208 WeakPolarHBondContact O-CD1 3.34Å; L188-Y208 WeakPolarHBondContact O-CE1 3.49Å; L188-Y208 PolarHBondContact O-N 3.01Å
189	E	86.4	Confident	90.2	Very high	118 Å²	118	43.4 Å²	43.4	55%	0.551	27%	0.27	S	S	*	.			trans	-121.1	-19.2	-175	-50.6	-173.4	166.7	0	0	113.1	S191 K207	E189-S191 PolarHBondContact O-N 3.38Å; E189-K207 HydrophobicContact CG-CD 4.02Å; E189-K207 HydrophobicContact CG-CG 3.99Å; E189-K207 VanDerWaalsContact OE1-CD 3.31Å; E189-K207 WeakPolarHBondContact OE1-CD 3.4Å; E189-K207 WeakPolarHBondContact OE1-CE 3.22Å; E189-K207 IonicContact OE1-NZ 3.25Å; E189-K207 PolarHBondContact OE1-NZ 2.86Å
190	T	85.2	Confident	90.3	Very high	88 Å²	88	43.3 Å²	43.3	54%	0.54	27%	0.269	S	S	.	.			trans	-76.8	110.8	-177.7	-48.1	0	0	0	0	110.6	C192 Y208	T190-C192 PolarHBondContact O-N 2.82Å; T190-C192 VanDerWaalsContact O-N 3.08Å; T190-Y208 PolarHBondContact O-OH 3.25Å
191	S	82.1	Confident	90.4	Very high	70 Å²	70	43.1 Å²	43.1	49%	0.49	27%	0.268	S	S	.	.			trans	-65.2	107.9	168.9	-64.1	0	0	0	0	110.4	E189 V202	E189-S191 PolarHBondContact O-N 3.38Å; S191-V202 PolarHBondContact OG-O 2.86Å; S191-V202 VanDerWaalsContact OG-O 3.05Å
192	C	86	Confident	90.6	Very high	18 Å²	18	43.1 Å²	43.1	12%	0.122	27%	0.268	C	S	.	.			trans	-143.1	164.1	177.9	60.1	0	0	0	0	112.2	M178 T190	M178-C192 HydrophobicContact CE-CB 3.19Å; T190-C192 PolarHBondContact O-N 2.82Å; T190-C192 VanDerWaalsContact O-N 3.08Å
193	G	86.3	Confident	90.8	Very high	32 Å²	32	44.5 Å²	44.5	33%	0.33	28%	0.275	S	S	.	.	S	Bend	trans	107.9	172.3	179.1	0	0	0	0	0	112.1	D157	D157-G193 VanDerWaalsContact OD1-CA 3.29Å; D157-G193 WeakPolarHBondContact OD1-CA 3.29Å
194	S	92.9	Very high	91.3	Very high	23 Å²	23	47.5 Å²	47.5	16%	0.161	28%	0.282	C	S	.	.			trans	-82.2	128.8	-176.9	-55	0	0	0	0	110.4	D157 K159 H196 Y197 A198	D157-S194 PolarHBondContact OD1-N 2.93Å; D157-S194 PolarHBondContact OD1-OG 3.35Å; K159-S194 WeakPolarHBondContact CD-OG 3.45Å; K159-S194 PolarHBondContact NZ-OG 3.01Å; S194-H196 VanDerWaalsContact C-N 3.26Å; S194-H196 PolarHBondContact O-N 3.26Å; S194-H196 VanDerWaalsContact O-N 3.11Å; S194-Y197 PolarHBondContact O-N 3.39Å; S194-A198 PolarHBondContact O-N 3.49Å; S194-A198 VanDerWaalsContact O-N 3.08Å
195	P	95.2	Very high	91.8	Very high	44 Å²	44	43.9 Å²	43.9	29%	0.286	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-32.3	-166	21.4	-33.5	0	0	0	114.1	Y197 L237 L240 L241	P195-Y197 VanDerWaalsContact C-N 3.25Å; P195-Y197 PolarHBondContact O-N 2.99Å; P195-L237 HydrophobicContact CB-CD1 4.13Å; P195-L237 HydrophobicContact CG-CD1 4.16Å; P195-L240 HydrophobicContact CB-CD2 4.07Å; P195-L240 HydrophobicContact CG-CD2 4.29Å; P195-L241 HydrophobicContact CB-CD2 4.05Å
196	H	97.1	Very high	92.4	Very high	52 Å²	52	43.8 Å²	43.8	24%	0.241	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.5	176.8	-60.4	97.4	0	0	0	114.2	S194 L230 D233 L240	S194-H196 VanDerWaalsContact C-N 3.26Å; S194-H196 PolarHBondContact O-N 3.26Å; S194-H196 VanDerWaalsContact O-N 3.11Å; H196-L230 HydrophobicContact CB-CD1 3.93Å; H196-D233 IonicContact CD2-OD1 3.5Å; H196-D233 IonicContact NE2-OD1 2.77Å; H196-D233 PolarHBondContact NE2-OD1 2.64Å; H196-L240 VanDerWaalsContact NE2-CD2 3.3Å; H196-L240 WeakPolarHBondContact NE2-CD2 3.43Å
197	Y	98.2	Very high	92.8	Very high	14 Å²	14	47.9 Å²	47.9	6%	0.055	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-6.8	-176.3	-55.6	-86.3	0	0	0	112.6	L158 K159 P160 S194 P195 S217 V220 I221 L230	L158-Y197 WeakPolarHBondContact O-CB 3.28Å; K159-Y197 HydrophobicContact CB-CD1 4.23Å; K159-Y197 HydrophobicContact CB-CD2 3.61Å; K159-Y197 HydrophobicContact CB-CE1 4.26Å; K159-Y197 HydrophobicContact CB-CE2 3.61Å; K159-Y197 HydrophobicContact CB-CG 3.93Å; P160-Y197 VanDerWaalsContact CD-CE1 3.42Å; P160-Y197 WeakPolarHBondContact CD-OH 3.35Å; P160-Y197 HydrophobicContact CG-CE1 4.18Å; S194-Y197 PolarHBondContact O-N 3.39Å; P195-Y197 VanDerWaalsContact C-N 3.25Å; P195-Y197 PolarHBondContact O-N 2.99Å; Y197-S217 WeakPolarHBondContact O-CA 3.45Å; Y197-S217 WeakPolarHBondContact O-CB 3.49Å; Y197-S217 PolarHBondContact O-OG 3.33Å; Y197-V220 HydrophobicContact CD1-CB 4.05Å; Y197-V220 HydrophobicContact CD1-CG1 3.44Å; Y197-V220 VanDerWaalsContact CD1-CG1 3.44Å; Y197-V220 HydrophobicContact CE1-CG1 3.79Å; Y197-V220 HydrophobicContact CG-CG1 4.3Å; Y197-I221 HydrophobicContact CD1-CG1 4.14Å; Y197-I221 HydrophobicContact CE1-CG1 4.23Å; Y197-L230 HydrophobicContact CE1-CD2 3.82Å
198	A	97.4	Very high	93	Very high	8 Å²	8	43.7 Å²	43.7	7%	0.066	24%	0.244	C	C	.	.			trans	-75	147	-179.6	0	0	0	0	0	111.4	S194 V202 I203 W216 V244	S194-A198 PolarHBondContact O-N 3.49Å; S194-A198 VanDerWaalsContact O-N 3.08Å; A198-V202 HydrophobicContact CB-CG1 4.43Å; A198-I203 HydrophobicContact CB-CD1 3.7Å; A198-I203 HydrophobicContact CB-CG1 4.18Å; A198-W216 PolarHBondContact O-NE1 2.8Å; A198-V244 WeakPolarHBondContact O-CG1 3.35Å
199	C	97.6	Very high	93.3	Very high	1 Å²	1	45 Å²	45	1%	0.007	25%	0.251	C	S	.	.			trans	-83.5	160.6	177.2	59.4	0	0	0	0	112.4	E201 V202 I203 A213 W216	C199-E201 VanDerWaalsContact C-N 3.35Å; C199-E201 PolarHBondContact O-N 3.36Å; C199-E201 PolarHBondContact SG-OE1 2.94Å; C199-V202 PolarHBondContact O-N 2.89Å; C199-V202 WeakPolarHBondContact SG-CG2 3.43Å; C199-I203 WeakPolarHBondContact O-CG1 3.43Å; C199-I203 PolarHBondContact O-N 3.1Å; C199-I203 VanDerWaalsContact O-N 3.16Å; C199-A213 VanDerWaalsContact SG-CB 3.52Å; C199-W216 HydrophobicContact CB-CB 3.78Å; C199-W216 HydrophobicContact CB-CD2 3.89Å; C199-W216 HydrophobicContact CB-CE3 4.45Å; C199-W216 HydrophobicContact CB-CG 3.56Å
200	P	97.9	Very high	93.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.8	-41.3	-175	-27	36.4	0	0	0	114.2	V202 I203 R204 W216 V244 V269	P200-V202 VanDerWaalsContact C-N 3.33Å; P200-V202 PolarHBondContact O-N 2.74Å; P200-I203 PolarHBondContact O-N 3.36Å; P200-R204 VanDerWaalsContact O-CG 3.31Å; P200-R204 WeakPolarHBondContact O-CG 3.35Å; P200-R204 PolarHBondContact O-N 2.91Å; P200-W216 HydrophobicContact CG-CE3 4.46Å; P200-W216 HydrophobicContact CG-CH2 3.53Å; P200-W216 HydrophobicContact CG-CZ2 3.99Å; P200-W216 HydrophobicContact CG-CZ3 3.79Å; P200-V244 HydrophobicContact CG-CG1 4.45Å; P200-V244 WeakPolarHBondContact CG-O 3.38Å; P200-V269 HydrophobicContact CB-CG1 4.24Å; P200-V269 HydrophobicContact CG-CB 4.44Å; P200-V269 HydrophobicContact CG-CG1 4.12Å; P200-V269 HydrophobicContact CG-CG2 4.17Å
201	E	97.1	Very high	94.2	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.023	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-34.7	-179.4	63.1	-83.8	-165.1	0	0	112.5	C199 R204 G205 E206 V271 R274	C199-E201 VanDerWaalsContact C-N 3.35Å; C199-E201 PolarHBondContact O-N 3.36Å; C199-E201 PolarHBondContact SG-OE1 2.94Å; E201-R204 PolarHBondContact O-N 3.34Å; E201-G205 PolarHBondContact O-N 2.8Å; E201-E206 HydrophobicContact CB-CB 4.37Å; E201-E206 WeakPolarHBondContact CB-OE2 3.44Å; E201-E206 PolarHBondContact O-N 3.21Å; E201-V271 HydrophobicContact CG-CG2 4.32Å; E201-R274 IonicContact OE1-CZ 3.83Å; E201-R274 IonicContact OE1-NH1 3.31Å; E201-R274 PolarHBondContact OE1-NH1 3.37Å; E201-R274 IonicContact OE1-NH2 3.63Å; E201-R274 PolarHBondContact OE1-NH2 3.44Å; E201-R274 IonicContact OE2-CZ 2.76Å; E201-R274 IonicContact OE2-NH1 2.88Å; E201-R274 IonicContact OE2-NH2 2.71Å; E201-R274 PolarHBondContact OE2-NH2 2.83Å
202	V	96.3	Very high	95	Very high	8 Å²	8	35.7 Å²	35.7	5%	0.048	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-41	173.4	168.9	0	0	0	0	111	S191 A198 C199 P200 R204 G205 Y208	S191-V202 PolarHBondContact OG-O 2.86Å; S191-V202 VanDerWaalsContact OG-O 3.05Å; A198-V202 HydrophobicContact CB-CG1 4.43Å; C199-V202 PolarHBondContact O-N 2.89Å; C199-V202 WeakPolarHBondContact SG-CG2 3.43Å; P200-V202 VanDerWaalsContact C-N 3.33Å; P200-V202 PolarHBondContact O-N 2.74Å; V202-R204 VanDerWaalsContact C-N 3.31Å; V202-R204 PolarHBondContact O-N 2.93Å; V202-G205 PolarHBondContact O-N 2.84Å; V202-G205 VanDerWaalsContact O-N 3.15Å; V202-Y208 HydrophobicContact CG2-CD1 3.76Å; V202-Y208 HydrophobicContact CG2-CD2 3.59Å; V202-Y208 HydrophobicContact CG2-CE1 3.82Å; V202-Y208 HydrophobicContact CG2-CE2 3.61Å; V202-Y208 HydrophobicContact CG2-CG 3.66Å
203	I	95.5	Very high	95.5	Very high	39 Å²	39	35.1 Å²	35.1	20%	0.2	19%	0.189	C	C	.	.	H	α-helix	trans	-66.2	-32.6	176.8	-64.8	-47.5	0	0	0	112.1	A198 C199 P200 G205 L241 V244 K245	A198-I203 HydrophobicContact CB-CD1 3.7Å; A198-I203 HydrophobicContact CB-CG1 4.18Å; C199-I203 WeakPolarHBondContact O-CG1 3.43Å; C199-I203 PolarHBondContact O-N 3.1Å; C199-I203 VanDerWaalsContact O-N 3.16Å; P200-I203 PolarHBondContact O-N 3.36Å; I203-G205 PolarHBondContact O-N 3.05Å; I203-L241 HydrophobicContact CD1-CD2 3.62Å; I203-L241 HydrophobicContact CG1-CD2 4.09Å; I203-L241 HydrophobicContact CG2-CB 3.99Å; I203-L241 HydrophobicContact CG2-CD1 4.35Å; I203-L241 HydrophobicContact CG2-CD2 3.81Å; I203-L241 HydrophobicContact CG2-CG 4.24Å; I203-V244 HydrophobicContact CG1-CG1 4.01Å; I203-K245 HydrophobicContact CG2-CG 4.08Å
204	R	95.1	Very high	96.1	Very high	105 Å²	105	33.6 Å²	33.6	40%	0.396	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-8.8	175	-69	175.1	-161.7	134.4	3.3	113.2	P200 E201 V202 E206 K245	P200-R204 VanDerWaalsContact O-CG 3.31Å; P200-R204 WeakPolarHBondContact O-CG 3.35Å; P200-R204 PolarHBondContact O-N 2.91Å; E201-R204 PolarHBondContact O-N 3.34Å; V202-R204 VanDerWaalsContact C-N 3.31Å; V202-R204 PolarHBondContact O-N 2.93Å; R204-E206 VanDerWaalsContact C-N 3.28Å; R204-E206 HydrophobicContact CB-CG 3.8Å; R204-E206 WeakPolarHBondContact CD-OE1 3.44Å; R204-E206 IonicContact NH1-OE2 3.43Å; R204-K245 HydrophobicContact CG-CG 4.41Å; R204-K245 PolarHBondContact NH2-O 3.27Å; R204-K245 VanDerWaalsContact NH2-O 3.12Å
205	G	92.5	Very high	96.4	Very high	48 Å²	48	32.7 Å²	32.7	50%	0.495	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	25.4	-175.7	0	0	0	0	0	113.1	E201 V202 I203	E201-G205 PolarHBondContact O-N 2.8Å; V202-G205 PolarHBondContact O-N 2.84Å; V202-G205 VanDerWaalsContact O-N 3.15Å; I203-G205 PolarHBondContact O-N 3.05Å
206	E	94.1	Very high	96.5	Very high	87 Å²	87	30.6 Å²	30.6	41%	0.407	15%	0.153	S	C	.	.			trans	-82.2	156.7	178.9	-65.9	166.1	-179.7	0	0	110.5	E201 R204 Y208	E201-E206 HydrophobicContact CB-CB 4.37Å; E201-E206 WeakPolarHBondContact CB-OE2 3.44Å; E201-E206 PolarHBondContact O-N 3.21Å; R204-E206 VanDerWaalsContact C-N 3.28Å; R204-E206 HydrophobicContact CB-CG 3.8Å; R204-E206 WeakPolarHBondContact CD-OE1 3.44Å; R204-E206 IonicContact NH1-OE2 3.43Å; E206-Y208 WeakPolarHBondContact O-CD1 3.2Å; E206-Y208 PolarHBondContact O-N 2.94Å
207	K	94.6	Very high	96.6	Very high	131 Å²	131	28.4 Å²	28.4	57%	0.57	14%	0.143	S	C	*	.			trans	-64.6	130.8	165.6	-52.3	-161.4	-172.9	-163.1	0	108.8	L187 L188 E189	L187-K207 HydrophobicContact CB-CB 3.9Å; L187-K207 HydrophobicContact CD1-CB 3.87Å; L188-K207 CarbonylContact O-C 3.57Å; L188-K207 VanDerWaalsContact O-CA 3.27Å; L188-K207 WeakPolarHBondContact O-CA 3.31Å; E189-K207 HydrophobicContact CG-CD 4.02Å; E189-K207 HydrophobicContact CG-CG 3.99Å; E189-K207 VanDerWaalsContact OE1-CD 3.31Å; E189-K207 WeakPolarHBondContact OE1-CD 3.4Å; E189-K207 WeakPolarHBondContact OE1-CE 3.22Å; E189-K207 IonicContact OE1-NZ 3.25Å; E189-K207 PolarHBondContact OE1-NZ 2.86Å
208	Y	95.8	Very high	96.6	Very high	6 Å²	6	27.8 Å²	27.8	2%	0.024	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-134.4	156.3	-169.7	68.7	-82.1	0	0	0	113.3	L188 T190 V202 E206 A213	L188-Y208 HydrophobicContact CB-CD1 4.15Å; L188-Y208 HydrophobicContact CB-CD2 4.43Å; L188-Y208 HydrophobicContact CB-CE1 3.67Å; L188-Y208 HydrophobicContact CB-CE2 4.02Å; L188-Y208 HydrophobicContact CB-CG 4.5Å; L188-Y208 HydrophobicContact CD1-CE2 3.95Å; L188-Y208 PolarHBondContact N-O 3.35Å; L188-Y208 WeakPolarHBondContact O-CD1 3.34Å; L188-Y208 WeakPolarHBondContact O-CE1 3.49Å; L188-Y208 PolarHBondContact O-N 3.01Å; T190-Y208 PolarHBondContact O-OH 3.25Å; V202-Y208 HydrophobicContact CG2-CD1 3.76Å; V202-Y208 HydrophobicContact CG2-CD2 3.59Å; V202-Y208 HydrophobicContact CG2-CE1 3.82Å; V202-Y208 HydrophobicContact CG2-CE2 3.61Å; V202-Y208 HydrophobicContact CG2-CG 3.66Å; E206-Y208 WeakPolarHBondContact O-CD1 3.2Å; E206-Y208 PolarHBondContact O-N 2.94Å; Y208-A213 HydrophobicContact CD2-CB 3.86Å; Y208-A213 HydrophobicContact CE2-CB 3.98Å
209	D	95.8	Very high	96.7	Very high	48 Å²	48	27.4 Å²	27.4	26%	0.257	14%	0.138	S	C	.	.			trans	-83.4	112.2	170.4	-179.4	-5.4	0	0	0	109.2	Q182 L187 K211 K212 A213	Q182-D209 PolarHBondContact NE2-OD1 2.94Å; Q182-D209 VanDerWaalsContact NE2-OD1 3.09Å; Q182-D209 PolarHBondContact OE1-OD1 2.95Å; L187-D209 HydrophobicContact CD2-CB 4.23Å; D209-K211 PolarHBondContact O-N 2.82Å; D209-K211 PolarHBondContact OD1-N 3.2Å; D209-K212 HydrophobicContact CB-CB 4.09Å; D209-K212 HydrophobicContact CB-CG 4.04Å; D209-K212 PolarHBondContact O-N 3.08Å; D209-K212 VanDerWaalsContact O-N 3.14Å; D209-K212 WeakPolarHBondContact OD2-CG 3.5Å; D209-A213 PolarHBondContact O-N 3.34Å
210	G	95.6	Very high	96.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.8	-34.6	-178.6	0	0	0	0	0	113.3	A213 D214	G210-A213 PolarHBondContact O-N 3.46Å; G210-D214 PolarHBondContact O-N 2.76Å
211	K	96.1	Very high	96.8	Very high	51 Å²	51	27.3 Å²	27.3	22%	0.222	14%	0.137	C	C	.	.	H	α-helix	trans	-68.4	-39.9	178.7	-60.5	-175.8	-172.1	-173.8	0	111	H149 N152 C154 D209 I215	H149-K211 HydrophobicContact CB-CD 4.11Å; H149-K211 HydrophobicContact CB-CG 4.42Å; H149-K211 VanDerWaalsContact CE1-CA 3.45Å; H149-K211 WeakPolarHBondContact CE1-CA 3.48Å; H149-K211 PolarHBondContact CE1-O 2.84Å; H149-K211 PolarHBondContact O-NZ 2.88Å; N152-K211 PolarHBondContact OD1-NZ 2.94Å; C154-K211 PolarHBondContact SG-N 3.22Å; D209-K211 PolarHBondContact O-N 2.82Å; D209-K211 PolarHBondContact OD1-N 3.2Å; K211-I215 WeakPolarHBondContact O-CD1 3.4Å; K211-I215 VanDerWaalsContact O-CG1 3.31Å; K211-I215 WeakPolarHBondContact O-CG1 3.36Å; K211-I215 PolarHBondContact O-N 3.38Å
212	K	97.3	Very high	96.9	Very high	30 Å²	30	27.1 Å²	27.1	13%	0.13	14%	0.136	C	C	.	.	H	α-helix	trans	-70.3	-31.9	175.2	-68	-64.3	-165.7	107.3	0	112.5	D209 I215 W216 V271 R274	D209-K212 HydrophobicContact CB-CB 4.09Å; D209-K212 HydrophobicContact CB-CG 4.04Å; D209-K212 PolarHBondContact O-N 3.08Å; D209-K212 VanDerWaalsContact O-N 3.14Å; D209-K212 WeakPolarHBondContact OD2-CG 3.5Å; K212-I215 HydrophobicContact CD-CD1 4.22Å; K212-W216 PolarHBondContact O-N 2.78Å; K212-V271 HydrophobicContact CB-CG1 4.17Å; K212-V271 HydrophobicContact CG-CG1 4.07Å; K212-V271 PolarHBondContact NZ-O 2.75Å; K212-R274 PolarHBondContact NZ-O 3.06Å; K212-R274 WeakPolarHBondContact O-CD 3.42Å; K212-R274 PolarHBondContact O-NH1 2.64Å
213	A	97.7	Very high	97	Very high	6 Å²	6	27.4 Å²	27.4	5%	0.05	14%	0.137	C	C	.	.	H	α-helix	trans	-65.6	-46.6	173.3	0	0	0	0	0	111.4	C199 Y208 D209 G210 I215 W216 S217	C199-A213 VanDerWaalsContact SG-CB 3.52Å; Y208-A213 HydrophobicContact CD2-CB 3.86Å; Y208-A213 HydrophobicContact CE2-CB 3.98Å; D209-A213 PolarHBondContact O-N 3.34Å; G210-A213 PolarHBondContact O-N 3.46Å; A213-I215 VanDerWaalsContact C-N 3.26Å; A213-I215 PolarHBondContact O-N 3.22Å; A213-W216 WeakPolarHBondContact O-CB 3.38Å; A213-W216 PolarHBondContact O-N 3.14Å; A213-W216 VanDerWaalsContact O-N 3.08Å; A213-S217 PolarHBondContact O-N 3.5Å; A213-S217 VanDerWaalsContact O-N 3.08Å; A213-S217 PolarHBondContact O-OG 2.86Å
214	D	98.3	Very high	97.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.2	-37.5	176.6	-75.2	-20.5	0	0	0	112.2	L145 H149 C154 H155 R156 L158 G210 W216 S217 C218	L145-D214 HydrophobicContact CD1-CB 3.98Å; L145-D214 HydrophobicContact CD2-CB 3.9Å; L145-D214 HydrophobicContact CG-CB 4.49Å; H149-D214 IonicContact CD2-OD2 3.31Å; H149-D214 IonicContact CE1-OD2 3.96Å; H149-D214 IonicContact NE2-OD2 3.46Å; H149-D214 PolarHBondContact NE2-OD2 3.44Å; C154-D214 VanDerWaalsContact CA-OD2 3.3Å; C154-D214 WeakPolarHBondContact CA-OD2 3.49Å; H155-D214 PolarHBondContact N-OD1 2.86Å; H155-D214 PolarHBondContact N-OD2 2.95Å; R156-D214 PolarHBondContact N-OD1 3.5Å; L158-D214 HydrophobicContact CD1-CB 3.99Å; G210-D214 PolarHBondContact O-N 2.76Å; D214-W216 VanDerWaalsContact C-N 3.35Å; D214-W216 PolarHBondContact O-N 3.36Å; D214-S217 PolarHBondContact O-N 3.38Å; D214-C218 PolarHBondContact O-N 2.82Å; D214-C218 PolarHBondContact O-SG 3.19Å
215	I	98.6	Very high	97.3	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.015	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-42.1	176.2	-67.1	163.5	0	0	0	111.1	K211 K212 A213 C218 G219 M266 M275 L277 V280	K211-I215 WeakPolarHBondContact O-CD1 3.4Å; K211-I215 VanDerWaalsContact O-CG1 3.31Å; K211-I215 WeakPolarHBondContact O-CG1 3.36Å; K211-I215 PolarHBondContact O-N 3.38Å; K212-I215 HydrophobicContact CD-CD1 4.22Å; A213-I215 VanDerWaalsContact C-N 3.26Å; A213-I215 PolarHBondContact O-N 3.22Å; I215-C218 PolarHBondContact O-N 3.15Å; I215-G219 PolarHBondContact O-N 2.98Å; I215-M266 HydrophobicContact CG2-CB 4.3Å; I215-M266 HydrophobicContact CG2-CE 4.04Å; I215-M266 HydrophobicContact CG2-CG 4.15Å; I215-M266 VanDerWaalsContact O-CE 3.27Å; I215-M266 WeakPolarHBondContact O-CE 3.32Å; I215-M275 WeakPolarHBondContact CD1-O 3.36Å; I215-L277 HydrophobicContact CD1-CB 3.99Å; I215-L277 VanDerWaalsContact CD1-N 3.3Å; I215-L277 HydrophobicContact CG1-CB 4.36Å; I215-L277 HydrophobicContact CG1-CD1 4.34Å; I215-V280 HydrophobicContact CG2-CG2 4.33Å
216	W	98.7	Very high	97.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.6	-49.3	174.6	173.3	-77.3	0	0	0	110.7	A198 C199 P200 K212 A213 D214 C218 G219 V220 F232 V244 I267 V269	A198-W216 PolarHBondContact O-NE1 2.8Å; C199-W216 HydrophobicContact CB-CB 3.78Å; C199-W216 HydrophobicContact CB-CD2 3.89Å; C199-W216 HydrophobicContact CB-CE3 4.45Å; C199-W216 HydrophobicContact CB-CG 3.56Å; P200-W216 HydrophobicContact CG-CE3 4.46Å; P200-W216 HydrophobicContact CG-CH2 3.53Å; P200-W216 HydrophobicContact CG-CZ2 3.99Å; P200-W216 HydrophobicContact CG-CZ3 3.79Å; K212-W216 PolarHBondContact O-N 2.78Å; A213-W216 WeakPolarHBondContact O-CB 3.38Å; A213-W216 PolarHBondContact O-N 3.14Å; A213-W216 VanDerWaalsContact O-N 3.08Å; D214-W216 VanDerWaalsContact C-N 3.35Å; D214-W216 PolarHBondContact O-N 3.36Å; W216-C218 VanDerWaalsContact C-N 3.3Å; W216-C218 PolarHBondContact O-N 3.26Å; W216-G219 WeakPolarHBondContact O-CA 3.49Å; W216-G219 PolarHBondContact O-N 3.35Å; W216-V220 PolarHBondContact O-N 3.3Å; W216-F232 HydrophobicContact CH2-CE2 4.11Å; W216-F232 HydrophobicContact CH2-CZ 4.16Å; W216-F232 HydrophobicContact CZ2-CD2 4.32Å; W216-F232 AromaticContact CZ2-CE2 3.47Å; W216-F232 HydrophobicContact CZ2-CE2 3.47Å; W216-F232 VanDerWaalsContact CZ2-CE2 3.47Å; W216-F232 AromaticContact CZ2-CZ 3.97Å; W216-F232 HydrophobicContact CZ2-CZ 3.97Å; W216-V244 HydrophobicContact CZ2-CG1 4.2Å; W216-I267 HydrophobicContact CD2-CG2 4.26Å; W216-I267 HydrophobicContact CE3-CG2 4.12Å; W216-I267 HydrophobicContact CH2-CG2 3.6Å; W216-I267 HydrophobicContact CZ2-CG2 3.76Å; W216-I267 HydrophobicContact CZ3-CB 4.5Å; W216-I267 HydrophobicContact CZ3-CG2 3.79Å; W216-V269 HydrophobicContact CH2-CG2 4.25Å; W216-V269 HydrophobicContact CZ3-CG2 4.27Å
217	S	98.8	Very high	97.8	Very high	7 Å²	7	15.9 Å²	15.9	5%	0.049	8%	0.077	C	C	.	.	H	α-helix	trans	-58.8	-41	178.2	-54.6	0	0	0	0	111.9	Y197 A213 D214 G219 V220 I221	Y197-S217 WeakPolarHBondContact O-CA 3.45Å; Y197-S217 WeakPolarHBondContact O-CB 3.49Å; Y197-S217 PolarHBondContact O-OG 3.33Å; A213-S217 PolarHBondContact O-N 3.5Å; A213-S217 VanDerWaalsContact O-N 3.08Å; A213-S217 PolarHBondContact O-OG 2.86Å; D214-S217 PolarHBondContact O-N 3.38Å; S217-G219 VanDerWaalsContact C-N 3.31Å; S217-G219 PolarHBondContact O-N 3.07Å; S217-V220 PolarHBondContact O-N 3.48Å; S217-I221 VanDerWaalsContact O-CG1 3.29Å; S217-I221 WeakPolarHBondContact O-CG1 3.38Å; S217-I221 PolarHBondContact O-N 2.89Å
218	C	98.7	Very high	97.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.7	-36.8	171.9	-75.2	0	0	0	0	113.1	F138 I142 D214 I215 W216 I221 L222 M266	F138-C218 HydrophobicContact CE2-CB 4.17Å; F138-C218 WeakPolarHBondContact CE2-O 3.26Å; I142-C218 HydrophobicContact CD1-CB 4.04Å; D214-C218 PolarHBondContact O-N 2.82Å; D214-C218 PolarHBondContact O-SG 3.19Å; I215-C218 PolarHBondContact O-N 3.15Å; W216-C218 VanDerWaalsContact C-N 3.3Å; W216-C218 PolarHBondContact O-N 3.26Å; C218-I221 PolarHBondContact O-N 3.23Å; C218-L222 WeakPolarHBondContact O-CB 3.37Å; C218-L222 PolarHBondContact O-N 2.81Å; C218-M266 HydrophobicContact CB-CE 3.6Å
219	G	98.8	Very high	97.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.1	-46.1	174.4	0	0	0	0	0	111.7	I215 W216 S217 I221 L222 Y223 L263	I215-G219 PolarHBondContact O-N 2.98Å; W216-G219 WeakPolarHBondContact O-CA 3.49Å; W216-G219 PolarHBondContact O-N 3.35Å; S217-G219 VanDerWaalsContact C-N 3.31Å; S217-G219 PolarHBondContact O-N 3.07Å; G219-I221 VanDerWaalsContact C-N 3.34Å; G219-I221 PolarHBondContact O-N 2.78Å; G219-L222 PolarHBondContact O-N 3.05Å; G219-Y223 PolarHBondContact O-N 3.22Å; G219-L263 WeakPolarHBondContact O-CD2 3.36Å
220	V	98.8	Very high	98	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.1	-44	174.7	177	0	0	0	0	111.1	Y197 W216 S217 L222 Y223 A224 L230 P231 I267	Y197-V220 HydrophobicContact CD1-CB 4.05Å; Y197-V220 HydrophobicContact CD1-CG1 3.44Å; Y197-V220 VanDerWaalsContact CD1-CG1 3.44Å; Y197-V220 HydrophobicContact CE1-CG1 3.79Å; Y197-V220 HydrophobicContact CG-CG1 4.3Å; W216-V220 PolarHBondContact O-N 3.3Å; S217-V220 PolarHBondContact O-N 3.48Å; V220-L222 PolarHBondContact O-N 3.05Å; V220-Y223 WeakPolarHBondContact O-CB 3.42Å; V220-Y223 PolarHBondContact O-N 2.87Å; V220-A224 PolarHBondContact O-N 3.03Å; V220-L230 HydrophobicContact CG1-CD2 4.03Å; V220-P231 HydrophobicContact CB-CG 4.33Å; V220-P231 HydrophobicContact CG1-CG 3.93Å; V220-P231 HydrophobicContact CG2-CG 4.1Å; V220-I267 HydrophobicContact CG2-CD1 4.46Å
221	I	98.8	Very high	98.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.2	-44.1	175.9	-67.5	161.6	0	0	0	110.9	I141 L158 L163 Y197 S217 C218 G219 Y223 A224 L225	I141-I221 HydrophobicContact CD1-CG2 4Å; L158-I221 HydrophobicContact CB-CD1 3.99Å; L163-I221 HydrophobicContact CD1-CD1 4.11Å; L163-I221 HydrophobicContact CD1-CG2 4.11Å; Y197-I221 HydrophobicContact CD1-CG1 4.14Å; Y197-I221 HydrophobicContact CE1-CG1 4.23Å; S217-I221 VanDerWaalsContact O-CG1 3.29Å; S217-I221 WeakPolarHBondContact O-CG1 3.38Å; S217-I221 PolarHBondContact O-N 2.89Å; C218-I221 PolarHBondContact O-N 3.23Å; G219-I221 VanDerWaalsContact C-N 3.34Å; G219-I221 PolarHBondContact O-N 2.78Å; I221-Y223 VanDerWaalsContact C-N 3.31Å; I221-Y223 PolarHBondContact O-N 2.95Å; I221-A224 PolarHBondContact O-N 2.89Å; I221-L225 HydrophobicContact CG2-CD1 4.01Å; I221-L225 HydrophobicContact CG2-CG 4.36Å; I221-L225 VanDerWaalsContact O-CG 3.26Å; I221-L225 WeakPolarHBondContact O-CG 3.27Å; I221-L225 PolarHBondContact O-N 2.65Å
222	L	98.8	Very high	98.2	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.1	-41.8	176.6	178.6	58	0	0	0	111.9	F138 C218 G219 V220 L225 L226 L262 L263 W285	F138-L222 HydrophobicContact CB-CD1 4.1Å; F138-L222 HydrophobicContact CD1-CD1 4.34Å; F138-L222 HydrophobicContact CD1-CD2 4.29Å; F138-L222 HydrophobicContact CD2-CB 3.73Å; F138-L222 HydrophobicContact CD2-CD1 3.98Å; F138-L222 HydrophobicContact CD2-CD2 4.32Å; F138-L222 HydrophobicContact CD2-CG 4.21Å; F138-L222 HydrophobicContact CE1-CD2 4.03Å; F138-L222 HydrophobicContact CE2-CB 3.66Å; F138-L222 HydrophobicContact CE2-CD2 4.07Å; F138-L222 HydrophobicContact CE2-CG 4.29Å; F138-L222 HydrophobicContact CG-CB 4.46Å; F138-L222 HydrophobicContact CG-CD1 3.87Å; F138-L222 HydrophobicContact CG-CD2 4.42Å; F138-L222 HydrophobicContact CG-CG 4.47Å; F138-L222 HydrophobicContact CZ-CB 4.34Å; F138-L222 HydrophobicContact CZ-CD2 3.91Å; C218-L222 WeakPolarHBondContact O-CB 3.37Å; C218-L222 PolarHBondContact O-N 2.81Å; G219-L222 PolarHBondContact O-N 3.05Å; V220-L222 PolarHBondContact O-N 3.05Å; L222-L225 PolarHBondContact O-N 2.85Å; L222-L226 HydrophobicContact CD1-CD1 3.79Å; L222-L226 HydrophobicContact CD1-CG 4.07Å; L222-L226 HydrophobicContact CG-CD1 3.95Å; L222-L226 WeakPolarHBondContact O-CG 3.36Å; L222-L226 PolarHBondContact O-N 3.39Å; L222-L226 VanDerWaalsContact O-N 3.1Å; L222-L262 HydrophobicContact CD2-CD2 3.67Å; L222-L262 HydrophobicContact CD2-CG 4.15Å; L222-L263 HydrophobicContact CB-CD2 4.03Å; L222-L263 HydrophobicContact CD2-CD2 3.97Å; L222-L263 HydrophobicContact CD2-CG 4.38Å; L222-L263 HydrophobicContact CG-CD2 3.87Å; L222-W285 HydrophobicContact CD1-CH2 3.52Å; L222-W285 HydrophobicContact CD1-CZ3 3.68Å; L222-W285 HydrophobicContact CD2-CZ3 4.01Å
223	Y	98.8	Very high	98.2	Very high	15 Å²	15	14.8 Å²	14.8	6%	0.059	10%	0.099	C	C	.	.	H	α-helix	trans	-58.6	-50.1	174.9	-176.7	-80.8	0	0	0	110.3	G219 V220 I221 L225 L226 V227 A229 L230 P231 F249 H250 L263	G219-Y223 PolarHBondContact O-N 3.22Å; V220-Y223 WeakPolarHBondContact O-CB 3.42Å; V220-Y223 PolarHBondContact O-N 2.87Å; I221-Y223 VanDerWaalsContact C-N 3.31Å; I221-Y223 PolarHBondContact O-N 2.95Å; Y223-L225 VanDerWaalsContact C-N 3.31Å; Y223-L225 PolarHBondContact O-N 3.17Å; Y223-L226 PolarHBondContact O-N 2.99Å; Y223-L226 VanDerWaalsContact O-N 3.11Å; Y223-V227 HydrophobicContact CD1-CB 4.08Å; Y223-V227 HydrophobicContact CD1-CG2 4.14Å; Y223-V227 HydrophobicContact CD2-CG2 4.14Å; Y223-V227 HydrophobicContact CE1-CB 3.74Å; Y223-V227 HydrophobicContact CE1-CG1 3.84Å; Y223-V227 HydrophobicContact CE1-CG2 3.89Å; Y223-V227 HydrophobicContact CE2-CG2 3.87Å; Y223-V227 HydrophobicContact CG-CG2 4.26Å; Y223-V227 WeakPolarHBondContact O-CB 3.47Å; Y223-V227 WeakPolarHBondContact O-CG2 3.39Å; Y223-V227 PolarHBondContact O-N 3.15Å; Y223-A229 WeakPolarHBondContact CD1-O 3.5Å; Y223-A229 WeakPolarHBondContact CE1-O 3.17Å; Y223-L230 VanDerWaalsContact CE1-C 3.47Å; Y223-P231 HydrophobicContact CD1-CB 3.83Å; Y223-P231 VanDerWaalsContact CD1-CD 3.45Å; Y223-P231 HydrophobicContact CD1-CG 4.05Å; Y223-P231 HydrophobicContact CD2-CB 4.04Å; Y223-P231 HydrophobicContact CE1-CB 3.97Å; Y223-P231 HydrophobicContact CE2-CB 4.18Å; Y223-P231 HydrophobicContact CG-CB 3.86Å; Y223-P231 HydrophobicContact CG-CG 4.11Å; Y223-F249 AromaticContact CD2-CD2 3.91Å; Y223-F249 HydrophobicContact CD2-CD2 3.91Å; Y223-F249 HydrophobicContact CD2-CE2 4.03Å; Y223-F249 AromaticContact CE2-CD2 3.76Å; Y223-F249 HydrophobicContact CE2-CD2 3.76Å; Y223-F249 HydrophobicContact CE2-CE2 4.24Å; Y223-H250 WeakPolarHBondContact CE2-O 3.36Å; Y223-H250 PolarHBondContact OH-O 3.23Å; Y223-L263 HydrophobicContact CD2-CD1 4.24Å
224	A	98.6	Very high	98.1	Very high	7 Å²	7	16.4 Å²	16.4	6%	0.058	11%	0.107	C	C	.	.	H	α-helix	trans	-58.7	-41.4	178.1	0	0	0	0	0	112.4	V220 I221 L226 G228 A229 L230	V220-A224 PolarHBondContact O-N 3.03Å; I221-A224 PolarHBondContact O-N 2.89Å; A224-L226 VanDerWaalsContact C-N 3.31Å; A224-L226 PolarHBondContact O-N 3.34Å; A224-G228 VanDerWaalsContact O-CA 3.31Å; A224-G228 WeakPolarHBondContact O-CA 3.4Å; A224-G228 PolarHBondContact O-N 3.31Å; A224-A229 WeakPolarHBondContact CA-O 3.44Å; A224-L230 HydrophobicContact CB-CD2 4.35Å
225	L	98.6	Very high	98	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.9	-38.6	176.4	-69.3	166.8	0	0	0	112.7	L119 L123 L129 A134 I137 I221 L222 Y223	L119-L225 HydrophobicContact CD1-CD2 4.08Å; L119-L225 HydrophobicContact CD2-CD2 4.09Å; L119-L225 HydrophobicContact CG-CD2 4.37Å; L123-L225 HydrophobicContact CD1-CD2 4.05Å; L123-L225 HydrophobicContact CD2-CD2 4.07Å; L123-L225 HydrophobicContact CG-CD2 4.34Å; L129-L225 WeakPolarHBondContact CB-O 3.3Å; L129-L225 HydrophobicContact CD1-CD2 3.6Å; L129-L225 PolarHBondContact N-O 3.23Å; A134-L225 HydrophobicContact CB-CB 4.06Å; I137-L225 HydrophobicContact CD1-CD2 4.47Å; I137-L225 HydrophobicContact CG2-CD1 3.84Å; I137-L225 HydrophobicContact CG2-CD2 4.14Å; I221-L225 HydrophobicContact CG2-CD1 4.01Å; I221-L225 HydrophobicContact CG2-CG 4.36Å; I221-L225 VanDerWaalsContact O-CG 3.26Å; I221-L225 WeakPolarHBondContact O-CG 3.27Å; I221-L225 PolarHBondContact O-N 2.65Å; L222-L225 PolarHBondContact O-N 2.85Å; Y223-L225 VanDerWaalsContact C-N 3.31Å; Y223-L225 PolarHBondContact O-N 3.17Å
226	L	98.5	Very high	97.9	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-88.1	-31.8	-174.8	-69.1	172.3	0	0	0	113.6	R128 V131 A134 L222 Y223 A224 V255 C259 L263 W285	R128-L226 WeakPolarHBondContact CB-O 3.36Å; V131-L226 HydrophobicContact CG2-CD2 4.38Å; A134-L226 HydrophobicContact CB-CD2 3.69Å; A134-L226 HydrophobicContact CB-CG 4.34Å; L222-L226 HydrophobicContact CD1-CD1 3.79Å; L222-L226 HydrophobicContact CD1-CG 4.07Å; L222-L226 HydrophobicContact CG-CD1 3.95Å; L222-L226 WeakPolarHBondContact O-CG 3.36Å; L222-L226 PolarHBondContact O-N 3.39Å; L222-L226 VanDerWaalsContact O-N 3.1Å; Y223-L226 PolarHBondContact O-N 2.99Å; Y223-L226 VanDerWaalsContact O-N 3.11Å; A224-L226 VanDerWaalsContact C-N 3.31Å; A224-L226 PolarHBondContact O-N 3.34Å; L226-V255 HydrophobicContact CD1-CG1 4.24Å; L226-C259 HydrophobicContact CD1-CB 3.97Å; L226-L263 HydrophobicContact CD1-CD1 4.32Å; L226-W285 HydrophobicContact CD2-CZ2 4.39Å
227	V	98.1	Very high	97.7	Very high	24 Å²	24	32.8 Å²	32.8	15%	0.145	19%	0.194	C	C	.	.	H	α-helix	trans	-104.9	-27.5	-171.7	-179.4	0	0	0	0	111.9	Y223 A229 P252 F254 V255	Y223-V227 HydrophobicContact CD1-CB 4.08Å; Y223-V227 HydrophobicContact CD1-CG2 4.14Å; Y223-V227 HydrophobicContact CD2-CG2 4.14Å; Y223-V227 HydrophobicContact CE1-CB 3.74Å; Y223-V227 HydrophobicContact CE1-CG1 3.84Å; Y223-V227 HydrophobicContact CE1-CG2 3.89Å; Y223-V227 HydrophobicContact CE2-CG2 3.87Å; Y223-V227 HydrophobicContact CG-CG2 4.26Å; Y223-V227 WeakPolarHBondContact O-CB 3.47Å; Y223-V227 WeakPolarHBondContact O-CG2 3.39Å; Y223-V227 PolarHBondContact O-N 3.15Å; V227-A229 HydrophobicContact CG1-CB 4.34Å; V227-P252 HydrophobicContact CG1-CG 4.03Å; V227-P252 HydrophobicContact CG2-CG 4.24Å; V227-F254 HydrophobicContact CG1-CZ 4.47Å; V227-V255 HydrophobicContact CG2-CG2 4.05Å
228	G	96.1	Very high	97.6	Very high	41 Å²	41	41.5 Å²	41.5	42%	0.423	23%	0.226	S	C	.	.	S	Bend	trans	76.9	11.1	-175.3	0	0	0	0	0	113.7	A224	A224-G228 VanDerWaalsContact O-CA 3.31Å; A224-G228 WeakPolarHBondContact O-CA 3.4Å; A224-G228 PolarHBondContact O-N 3.31Å
229	A	96.3	Very high	97.6	Very high	54 Å²	54	46.2 Å²	46.2	45%	0.446	25%	0.248	S	C	.	.	S	Bend	trans	-143	165.8	175.7	0	0	0	0	0	109.3	Y223 A224 V227	Y223-A229 WeakPolarHBondContact CD1-O 3.5Å; Y223-A229 WeakPolarHBondContact CE1-O 3.17Å; A224-A229 WeakPolarHBondContact CA-O 3.44Å; V227-A229 HydrophobicContact CG1-CB 4.34Å
230	L	97.9	Very high	97.6	Very high	40 Å²	40	46.3 Å²	46.3	21%	0.209	25%	0.248	C	C	.	.			trans	-82.7	149.7	176.8	-68.7	170.7	0	0	0	111.6	H196 Y197 V220 Y223 A224 F232 D233	H196-L230 HydrophobicContact CB-CD1 3.93Å; Y197-L230 HydrophobicContact CE1-CD2 3.82Å; V220-L230 HydrophobicContact CG1-CD2 4.03Å; Y223-L230 VanDerWaalsContact CE1-C 3.47Å; A224-L230 HydrophobicContact CB-CD2 4.35Å; L230-F232 VanDerWaalsContact C-N 3.3Å; L230-D233 HydrophobicContact CB-CB 4.27Å
231	P	98.2	Very high	97.5	Very high	16 Å²	16	48.3 Å²	48.3	10%	0.104	26%	0.258	C	S	.	.	S	Bend	trans	-72.1	-27.9	176.1	28.6	-31.6	0	0	0	112.2	V220 Y223 F249 I267	V220-P231 HydrophobicContact CB-CG 4.33Å; V220-P231 HydrophobicContact CG1-CG 3.93Å; V220-P231 HydrophobicContact CG2-CG 4.1Å; Y223-P231 HydrophobicContact CD1-CB 3.83Å; Y223-P231 VanDerWaalsContact CD1-CD 3.45Å; Y223-P231 HydrophobicContact CD1-CG 4.05Å; Y223-P231 HydrophobicContact CD2-CB 4.04Å; Y223-P231 HydrophobicContact CE1-CB 3.97Å; Y223-P231 HydrophobicContact CE2-CB 4.18Å; Y223-P231 HydrophobicContact CG-CB 3.86Å; Y223-P231 HydrophobicContact CG-CG 4.11Å; P231-F249 HydrophobicContact CB-CB 3.83Å; P231-F249 HydrophobicContact CB-CD2 4.04Å; P231-F249 HydrophobicContact CB-CG 4.04Å; P231-I267 HydrophobicContact CB-CD1 4.48Å; P231-I267 HydrophobicContact CG-CD1 4.26Å
232	F	98.2	Very high	97.5	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	28%	0.275	C	S	.	.	S	Bend	trans	-129.9	119.3	175.5	-44.9	-69.4	0	0	0	107.8	W216 L230 L240 K243 V244 F249 I267	W216-F232 HydrophobicContact CH2-CE2 4.11Å; W216-F232 HydrophobicContact CH2-CZ 4.16Å; W216-F232 HydrophobicContact CZ2-CD2 4.32Å; W216-F232 AromaticContact CZ2-CE2 3.47Å; W216-F232 HydrophobicContact CZ2-CE2 3.47Å; W216-F232 VanDerWaalsContact CZ2-CE2 3.47Å; W216-F232 AromaticContact CZ2-CZ 3.97Å; W216-F232 HydrophobicContact CZ2-CZ 3.97Å; L230-F232 VanDerWaalsContact C-N 3.3Å; F232-L240 HydrophobicContact CB-CD1 4.14Å; F232-K243 HydrophobicContact CB-CB 4.42Å; F232-K243 HydrophobicContact CD1-CB 4.27Å; F232-V244 HydrophobicContact CB-CG2 3.79Å; F232-V244 HydrophobicContact CD2-CG2 4.06Å; F232-V244 HydrophobicContact CG-CG2 3.96Å; F232-F249 HydrophobicContact CE1-CB 3.89Å; F232-F249 HydrophobicContact CE1-CD1 4.34Å; F232-F249 HydrophobicContact CZ-CB 4.19Å; F232-F249 AromaticContact CZ-CD1 3.96Å; F232-F249 HydrophobicContact CZ-CD1 3.96Å; F232-F249 HydrophobicContact CZ-CG 4.37Å; F232-I267 HydrophobicContact CE2-CG2 3.65Å; F232-I267 HydrophobicContact CZ-CG2 3.68Å
233	D	96.3	Very high	97.5	Very high	89 Å²	89	55.8 Å²	55.8	48%	0.476	29%	0.292	S	S	.	.			trans	-151.4	141.2	179.5	-161.6	17.9	0	0	0	109.5	H196 L230 K243	H196-D233 IonicContact CD2-OD1 3.5Å; H196-D233 IonicContact NE2-OD1 2.77Å; H196-D233 PolarHBondContact NE2-OD1 2.64Å; L230-D233 HydrophobicContact CB-CB 4.27Å; D233-K243 PolarHBondContact O-NZ 3.45Å
234	D	97.1	Very high	97.4	Very high	41 Å²	41	55 Å²	55	22%	0.219	29%	0.289	C	S	.	.			trans	-167.8	137.6	175.5	-153.8	-74.8	0	0	0	109.7	N236 H239 L240 K243	D234-N236 PolarHBondContact O-N 3.14Å; D234-N236 WeakPolarHBondContact OD1-CB 3.47Å; D234-N236 PolarHBondContact OD1-N 3.03Å; D234-H239 HydrophobicContact CB-CB 4.09Å; D234-H239 VanDerWaalsContact CG-CB 3.41Å; D234-H239 WeakPolarHBondContact OD1-CB 3.37Å; D234-H239 IonicContact OD1-ND1 3.71Å; D234-H239 WeakPolarHBondContact OD2-CB 3.36Å; D234-L240 HydrophobicContact CB-CB 3.94Å; D234-K243 HydrophobicContact CB-CD 4.35Å; D234-K243 WeakPolarHBondContact OD2-CE 3.49Å; D234-K243 IonicContact OD2-NZ 3.67Å; D234-K243 PolarHBondContact OD2-NZ 2.88Å
235	D	95.5	Very high	97.4	Very high	174 Å²	174	57.8 Å²	57.8	93%	0.93	30%	0.3	S	S	*	.	S	Bend	trans	-63	-30.4	174.7	-63.5	-40.8	0	0	0	111.8
236	N	96.8	Very high	97.3	Very high	74 Å²	74	66.7 Å²	66.7	40%	0.396	33%	0.333	S	S	.	.	S	Bend	trans	-88.2	112.9	175.3	-170.6	-60.7	0	0	0	110.2	D234 R238 H239 L240	D234-N236 PolarHBondContact O-N 3.14Å; D234-N236 WeakPolarHBondContact OD1-CB 3.47Å; D234-N236 PolarHBondContact OD1-N 3.03Å; N236-R238 PolarHBondContact O-N 3.25Å; N236-R238 VanDerWaalsContact O-N 3.11Å; N236-R238 WeakPolarHBondContact OD1-CA 3.44Å; N236-R238 WeakPolarHBondContact OD1-CB 3.38Å; N236-R238 PolarHBondContact OD1-N 3.45Å; N236-H239 HydrophobicContact CB-CB 4.14Å; N236-H239 WeakPolarHBondContact O-CB 3.42Å; N236-H239 PolarHBondContact O-N 2.89Å; N236-H239 PolarHBondContact OD1-N 3.39Å; N236-L240 PolarHBondContact O-N 2.97Å
237	L	95.1	Very high	97.2	Very high	99 Å²	99	67 Å²	67	52%	0.518	34%	0.337	S	S	.	.	H	α-helix	trans	-50.9	-40.9	178.8	179.6	61	0	0	0	112.6	P195 H239 L240 L241	P195-L237 HydrophobicContact CB-CD1 4.13Å; P195-L237 HydrophobicContact CG-CD1 4.16Å; L237-H239 PolarHBondContact O-N 3.49Å; L237-L240 HydrophobicContact CD1-CD2 4.23Å; L237-L240 WeakPolarHBondContact O-CB 3.21Å; L237-L240 PolarHBondContact O-N 2.93Å; L237-L241 HydrophobicContact CD1-CD1 4.38Å; L237-L241 HydrophobicContact CD1-CD2 4.19Å; L237-L241 HydrophobicContact CD1-CG 4.05Å; L237-L241 HydrophobicContact CG-CD1 4.3Å; L237-L241 HydrophobicContact CG-CG 4.33Å; L237-L241 VanDerWaalsContact O-CG 3.23Å; L237-L241 WeakPolarHBondContact O-CG 3.37Å; L237-L241 PolarHBondContact O-N 2.89Å
238	R	96.7	Very high	97.2	Very high	189 Å²	189	71.6 Å²	71.6	71%	0.713	37%	0.365	S	S	*	.	H	α-helix	trans	-62.6	-44.1	179	-172.7	-179.9	179.9	173.1	0.2	111.2	N236 L241 E242	N236-R238 PolarHBondContact O-N 3.25Å; N236-R238 VanDerWaalsContact O-N 3.11Å; N236-R238 WeakPolarHBondContact OD1-CA 3.44Å; N236-R238 WeakPolarHBondContact OD1-CB 3.38Å; N236-R238 PolarHBondContact OD1-N 3.45Å; R238-L241 PolarHBondContact O-N 2.89Å; R238-E242 WeakPolarHBondContact O-CG 3.3Å; R238-E242 PolarHBondContact O-N 3.38Å
239	H	98.1	Very high	97.2	Very high	100 Å²	100	71.3 Å²	71.3	46%	0.463	35%	0.353	S	S	.	.	H	α-helix	trans	-67.6	-39.4	178	-64	170.8	0	0	0	112.1	D234 N236 L237 E242 K243	D234-H239 HydrophobicContact CB-CB 4.09Å; D234-H239 VanDerWaalsContact CG-CB 3.41Å; D234-H239 WeakPolarHBondContact OD1-CB 3.37Å; D234-H239 IonicContact OD1-ND1 3.71Å; D234-H239 WeakPolarHBondContact OD2-CB 3.36Å; N236-H239 HydrophobicContact CB-CB 4.14Å; N236-H239 WeakPolarHBondContact O-CB 3.42Å; N236-H239 PolarHBondContact O-N 2.89Å; N236-H239 PolarHBondContact OD1-N 3.39Å; L237-H239 PolarHBondContact O-N 3.49Å; H239-E242 PolarHBondContact O-N 3.46Å; H239-K243 WeakPolarHBondContact O-CG 3.49Å; H239-K243 PolarHBondContact O-N 3.29Å
240	L	97.9	Very high	97.3	Very high	2 Å²	2	74.6 Å²	74.6	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-56.1	-51.4	171.9	172.2	65.3	0	0	0	110.7	P195 H196 F232 D234 N236 L237 E242 K243 V244	P195-L240 HydrophobicContact CB-CD2 4.07Å; P195-L240 HydrophobicContact CG-CD2 4.29Å; H196-L240 VanDerWaalsContact NE2-CD2 3.3Å; H196-L240 WeakPolarHBondContact NE2-CD2 3.43Å; F232-L240 HydrophobicContact CB-CD1 4.14Å; D234-L240 HydrophobicContact CB-CB 3.94Å; N236-L240 PolarHBondContact O-N 2.97Å; L237-L240 HydrophobicContact CD1-CD2 4.23Å; L237-L240 WeakPolarHBondContact O-CB 3.21Å; L237-L240 PolarHBondContact O-N 2.93Å; L240-E242 VanDerWaalsContact C-N 3.29Å; L240-E242 PolarHBondContact O-N 3.43Å; L240-K243 WeakPolarHBondContact O-CB 3.36Å; L240-K243 PolarHBondContact O-N 3.23Å; L240-K243 VanDerWaalsContact O-N 3.13Å; L240-V244 HydrophobicContact CD1-CG2 4.36Å; L240-V244 WeakPolarHBondContact O-CG2 3.49Å; L240-V244 PolarHBondContact O-N 3.44Å
241	L	97.5	Very high	97.3	Very high	41 Å²	41	73.4 Å²	73.4	22%	0.215	35%	0.352	C	S	.	.	H	α-helix	trans	-61.7	-37.5	-179.7	-65.8	-173.3	0	0	0	111.8	P195 I203 L237 R238 V244 K245	P195-L241 HydrophobicContact CB-CD2 4.05Å; I203-L241 HydrophobicContact CD1-CD2 3.62Å; I203-L241 HydrophobicContact CG1-CD2 4.09Å; I203-L241 HydrophobicContact CG2-CB 3.99Å; I203-L241 HydrophobicContact CG2-CD1 4.35Å; I203-L241 HydrophobicContact CG2-CD2 3.81Å; I203-L241 HydrophobicContact CG2-CG 4.24Å; L237-L241 HydrophobicContact CD1-CD1 4.38Å; L237-L241 HydrophobicContact CD1-CD2 4.19Å; L237-L241 HydrophobicContact CD1-CG 4.05Å; L237-L241 HydrophobicContact CG-CD1 4.3Å; L237-L241 HydrophobicContact CG-CG 4.33Å; L237-L241 VanDerWaalsContact O-CG 3.23Å; L237-L241 WeakPolarHBondContact O-CG 3.37Å; L237-L241 PolarHBondContact O-N 2.89Å; R238-L241 PolarHBondContact O-N 2.89Å; L241-V244 PolarHBondContact O-N 3.39Å; L241-K245 WeakPolarHBondContact O-CB 3.38Å; L241-K245 VanDerWaalsContact O-CG 3.25Å; L241-K245 WeakPolarHBondContact O-CG 3.42Å; L241-K245 PolarHBondContact O-N 2.84Å
242	E	98.1	Very high	97.2	Very high	73 Å²	73	73.5 Å²	73.5	34%	0.341	35%	0.353	S	S	.	.	H	α-helix	trans	-67.2	-38.5	174.2	-70.1	-53.1	128.5	0	0	112.8	R238 H239 L240 K245 R246	R238-E242 WeakPolarHBondContact O-CG 3.3Å; R238-E242 PolarHBondContact O-N 3.38Å; H239-E242 PolarHBondContact O-N 3.46Å; L240-E242 VanDerWaalsContact C-N 3.29Å; L240-E242 PolarHBondContact O-N 3.43Å; E242-K245 PolarHBondContact O-N 2.79Å; E242-K245 IonicContact OE1-NZ 2.69Å; E242-K245 PolarHBondContact OE1-NZ 3.47Å; E242-R246 WeakPolarHBondContact O-CG 3.49Å; E242-R246 PolarHBondContact O-N 2.82Å; E242-R246 VanDerWaalsContact O-N 3.07Å
243	K	98.4	Very high	97.1	Very high	84 Å²	84	81.8 Å²	81.8	37%	0.365	39%	0.391	S	S	.	.	H	α-helix	trans	-60.5	-47	172.7	-75.2	168.9	170.5	169.9	0	111.2	F232 D233 D234 H239 L240 R246 G247	F232-K243 HydrophobicContact CB-CB 4.42Å; F232-K243 HydrophobicContact CD1-CB 4.27Å; D233-K243 PolarHBondContact O-NZ 3.45Å; D234-K243 HydrophobicContact CB-CD 4.35Å; D234-K243 WeakPolarHBondContact OD2-CE 3.49Å; D234-K243 IonicContact OD2-NZ 3.67Å; D234-K243 PolarHBondContact OD2-NZ 2.88Å; H239-K243 WeakPolarHBondContact O-CG 3.49Å; H239-K243 PolarHBondContact O-N 3.29Å; L240-K243 WeakPolarHBondContact O-CB 3.36Å; L240-K243 PolarHBondContact O-N 3.23Å; L240-K243 VanDerWaalsContact O-N 3.13Å; K243-R246 PolarHBondContact O-N 3.31Å; K243-G247 PolarHBondContact O-N 3.1Å
244	V	98	Very high	97.1	Very high	0 Å²	0	82.6 Å²	82.6	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-60.8	-47.2	176.8	174	0	0	0	0	110.8	A198 P200 I203 W216 F232 L240 L241 R246 G247	A198-V244 WeakPolarHBondContact O-CG1 3.35Å; P200-V244 HydrophobicContact CG-CG1 4.45Å; P200-V244 WeakPolarHBondContact CG-O 3.38Å; I203-V244 HydrophobicContact CG1-CG1 4.01Å; W216-V244 HydrophobicContact CZ2-CG1 4.2Å; F232-V244 HydrophobicContact CB-CG2 3.79Å; F232-V244 HydrophobicContact CD2-CG2 4.06Å; F232-V244 HydrophobicContact CG-CG2 3.96Å; L240-V244 HydrophobicContact CD1-CG2 4.36Å; L240-V244 WeakPolarHBondContact O-CG2 3.49Å; L240-V244 PolarHBondContact O-N 3.44Å; L241-V244 PolarHBondContact O-N 3.39Å; V244-R246 VanDerWaalsContact C-N 3.27Å; V244-R246 PolarHBondContact O-N 3.41Å; V244-G247 PolarHBondContact O-N 3.16Å
245	K	97.4	Very high	97.1	Very high	64 Å²	64	80.8 Å²	80.8	28%	0.278	38%	0.381	S	S	.	.	H	α-helix	trans	-59	-36.2	178.9	-76.4	173.3	-169.7	173.2	0	113.4	I203 R204 L241 E242	I203-K245 HydrophobicContact CG2-CG 4.08Å; R204-K245 HydrophobicContact CG-CG 4.41Å; R204-K245 PolarHBondContact NH2-O 3.27Å; R204-K245 VanDerWaalsContact NH2-O 3.12Å; L241-K245 WeakPolarHBondContact O-CB 3.38Å; L241-K245 VanDerWaalsContact O-CG 3.25Å; L241-K245 WeakPolarHBondContact O-CG 3.42Å; L241-K245 PolarHBondContact O-N 2.84Å; E242-K245 PolarHBondContact O-N 2.79Å; E242-K245 IonicContact OE1-NZ 2.69Å; E242-K245 PolarHBondContact OE1-NZ 3.47Å
246	R	97.5	Very high	97.1	Very high	188 Å²	188	74.9 Å²	74.9	71%	0.709	35%	0.352	S	S	*	.	H	α-helix	trans	-73.8	-34.6	174.8	-70.4	177	-176.1	-165.6	0.9	111.9	E242 K243 V244 V248	E242-R246 WeakPolarHBondContact O-CG 3.49Å; E242-R246 PolarHBondContact O-N 2.82Å; E242-R246 VanDerWaalsContact O-N 3.07Å; K243-R246 PolarHBondContact O-N 3.31Å; V244-R246 VanDerWaalsContact C-N 3.27Å; V244-R246 PolarHBondContact O-N 3.41Å; R246-V248 HydrophobicContact CB-CG2 4.43Å; R246-V248 PolarHBondContact O-N 3Å
247	G	96.8	Very high	97	Very high	11 Å²	11	75 Å²	75	11%	0.113	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	19.9	179.6	0	0	0	0	0	114.4	K243 V244 F249	K243-G247 PolarHBondContact O-N 3.1Å; V244-G247 PolarHBondContact O-N 3.16Å; G247-F249 WeakPolarHBondContact O-CD1 3.27Å
248	V	96.6	Very high	96.9	Very high	121 Å²	121	74.9 Å²	74.9	73%	0.733	36%	0.361	S	S	*	.			trans	-90.1	120.5	176.5	-179.6	0	0	0	0	108.6	R246	R246-V248 HydrophobicContact CB-CG2 4.43Å; R246-V248 PolarHBondContact O-N 3Å
249	F	97.7	Very high	96.9	Very high	36 Å²	36	65.9 Å²	65.9	16%	0.158	33%	0.327	C	S	.	.			trans	-138.7	150	178.7	65.1	-76.9	0	0	0	110.5	Y223 P231 F232 G247 I251 L263 I267	Y223-F249 AromaticContact CD2-CD2 3.91Å; Y223-F249 HydrophobicContact CD2-CD2 3.91Å; Y223-F249 HydrophobicContact CD2-CE2 4.03Å; Y223-F249 AromaticContact CE2-CD2 3.76Å; Y223-F249 HydrophobicContact CE2-CD2 3.76Å; Y223-F249 HydrophobicContact CE2-CE2 4.24Å; P231-F249 HydrophobicContact CB-CB 3.83Å; P231-F249 HydrophobicContact CB-CD2 4.04Å; P231-F249 HydrophobicContact CB-CG 4.04Å; F232-F249 HydrophobicContact CE1-CB 3.89Å; F232-F249 HydrophobicContact CE1-CD1 4.34Å; F232-F249 HydrophobicContact CZ-CB 4.19Å; F232-F249 AromaticContact CZ-CD1 3.96Å; F232-F249 HydrophobicContact CZ-CD1 3.96Å; F232-F249 HydrophobicContact CZ-CG 4.37Å; G247-F249 WeakPolarHBondContact O-CD1 3.27Å; F249-I251 HydrophobicContact CD2-CD1 4.45Å; F249-I251 HydrophobicContact CD2-CG1 3.83Å; F249-I251 HydrophobicContact CE2-CD1 3.59Å; F249-I251 HydrophobicContact CE2-CG1 3.43Å; F249-I251 VanDerWaalsContact CE2-CG1 3.43Å; F249-I251 HydrophobicContact CZ-CD1 4.07Å; F249-I251 HydrophobicContact CZ-CG1 4.33Å; F249-L263 HydrophobicContact CE2-CB 4.41Å; F249-L263 HydrophobicContact CZ-CB 4.46Å; F249-I267 HydrophobicContact CD1-CB 4.49Å; F249-I267 HydrophobicContact CD1-CG2 3.99Å; F249-I267 HydrophobicContact CE1-CB 3.68Å; F249-I267 HydrophobicContact CE1-CD1 4.3Å; F249-I267 HydrophobicContact CE1-CG2 3.65Å; F249-I267 HydrophobicContact CE2-CD1 4.03Å; F249-I267 HydrophobicContact CZ-CB 3.86Å; F249-I267 HydrophobicContact CZ-CD1 3.89Å; F249-I267 HydrophobicContact CZ-CG1 4.35Å; F249-I267 HydrophobicContact CZ-CG2 4.24Å
250	H	97.4	Very high	96.9	Very high	122 Å²	122	62.9 Å²	62.9	57%	0.565	31%	0.313	S	S	*	.			trans	-91.8	129.4	179.6	170.9	-93.6	0	0	0	110.4	Y223	Y223-H250 WeakPolarHBondContact CE2-O 3.36Å; Y223-H250 PolarHBondContact OH-O 3.23Å
251	I	98	Very high	96.9	Very high	16 Å²	16	65.8 Å²	65.8	8%	0.082	33%	0.334	C	S	.	.			trans	-104	115.3	174.3	-53.5	176	0	0	0	108.6	F249 V255 Q260 L263 R264	F249-I251 HydrophobicContact CD2-CD1 4.45Å; F249-I251 HydrophobicContact CD2-CG1 3.83Å; F249-I251 HydrophobicContact CE2-CD1 3.59Å; F249-I251 HydrophobicContact CE2-CG1 3.43Å; F249-I251 VanDerWaalsContact CE2-CG1 3.43Å; F249-I251 HydrophobicContact CZ-CD1 4.07Å; F249-I251 HydrophobicContact CZ-CG1 4.33Å; I251-V255 HydrophobicContact CG2-CB 3.79Å; I251-V255 HydrophobicContact CG2-CG1 3.91Å; I251-V255 HydrophobicContact CG2-CG2 4.05Å; I251-Q260 HydrophobicContact CD1-CB 4.07Å; I251-Q260 HydrophobicContact CG2-CB 4.28Å; I251-Q260 HydrophobicContact CG2-CG 3.75Å; I251-L263 HydrophobicContact CD1-CB 4.05Å; I251-L263 HydrophobicContact CD1-CD1 4.34Å; I251-L263 HydrophobicContact CG2-CD1 4.32Å; I251-R264 HydrophobicContact CD1-CG 3.93Å
252	P	97.3	Very high	96.9	Very high	18 Å²	18	63.9 Å²	63.9	12%	0.117	32%	0.323	C	S	.	.			trans	-60.8	145.9	-179.2	-25.4	35	0	0	0	113.8	V227 F254 V255	V227-P252 HydrophobicContact CG1-CG 4.03Å; V227-P252 HydrophobicContact CG2-CG 4.24Å; P252-F254 HydrophobicContact CB-CD1 3.53Å; P252-F254 HydrophobicContact CB-CD2 4.49Å; P252-F254 HydrophobicContact CB-CE1 3.13Å; P252-F254 HydrophobicContact CB-CE2 4.15Å; P252-F254 HydrophobicContact CB-CG 4.21Å; P252-F254 HydrophobicContact CB-CZ 3.47Å; P252-F254 VanDerWaalsContact CB-CZ 3.47Å; P252-F254 HydrophobicContact CG-CE1 3.73Å; P252-F254 HydrophobicContact CG-CZ 3.68Å; P252-F254 PolarHBondContact O-N 3.23Å; P252-F254 VanDerWaalsContact O-N 3.07Å; P252-V255 WeakPolarHBondContact O-CB 3.13Å; P252-V255 PolarHBondContact O-N 3.23Å
253	H	95.2	Very high	97	Very high	175 Å²	175	60.4 Å²	60.4	81%	0.81	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.2	-177.6	-58.8	95.2	0	0	0	114.8	V255	H253-V255 PolarHBondContact O-N 2.99Å
254	F	95.8	Very high	96.9	Very high	106 Å²	106	62.6 Å²	62.6	47%	0.465	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.8	177	63.2	-107.7	0	0	0	113.3	V227 P252	V227-F254 HydrophobicContact CG1-CZ 4.47Å; P252-F254 HydrophobicContact CB-CD1 3.53Å; P252-F254 HydrophobicContact CB-CD2 4.49Å; P252-F254 HydrophobicContact CB-CE1 3.13Å; P252-F254 HydrophobicContact CB-CE2 4.15Å; P252-F254 HydrophobicContact CB-CG 4.21Å; P252-F254 HydrophobicContact CB-CZ 3.47Å; P252-F254 VanDerWaalsContact CB-CZ 3.47Å; P252-F254 HydrophobicContact CG-CE1 3.73Å; P252-F254 HydrophobicContact CG-CZ 3.68Å; P252-F254 PolarHBondContact O-N 3.23Å; P252-F254 VanDerWaalsContact O-N 3.07Å
255	V	97.3	Very high	97	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.024	32%	0.321	C	S	.	.	S	Bend	trans	-75.6	123.5	176.7	177.2	0	0	0	0	108.4	L226 V227 I251 P252 H253 C259 Q260 L263	L226-V255 HydrophobicContact CD1-CG1 4.24Å; V227-V255 HydrophobicContact CG2-CG2 4.05Å; I251-V255 HydrophobicContact CG2-CB 3.79Å; I251-V255 HydrophobicContact CG2-CG1 3.91Å; I251-V255 HydrophobicContact CG2-CG2 4.05Å; P252-V255 WeakPolarHBondContact O-CB 3.13Å; P252-V255 PolarHBondContact O-N 3.23Å; H253-V255 PolarHBondContact O-N 2.99Å; V255-C259 HydrophobicContact CG1-CB 3.54Å; V255-Q260 HydrophobicContact CB-CG 4.35Å; V255-Q260 HydrophobicContact CG1-CG 4.04Å; V255-Q260 PolarHBondContact O-NE2 2.88Å; V255-L263 HydrophobicContact CG1-CD1 4.3Å
256	P	95	Very high	97	Very high	49 Å²	49	60.3 Å²	60.3	32%	0.318	31%	0.308	S	S	.	.			trans	-55.2	142	-177.6	-26.1	33.2	0	0	0	112.9	V131 E258 C259 Q260	V131-P256 HydrophobicContact CG1-CG 4.33Å; V131-P256 HydrophobicContact CG2-CG 3.97Å; P256-E258 PolarHBondContact O-N 3.24Å; P256-E258 VanDerWaalsContact O-N 3.14Å; P256-C259 WeakPolarHBondContact O-CA 3.35Å; P256-C259 VanDerWaalsContact O-CB 3.25Å; P256-C259 WeakPolarHBondContact O-CB 3.47Å; P256-C259 PolarHBondContact O-N 3.45Å; P256-Q260 WeakPolarHBondContact O-CG 3.43Å; P256-Q260 PolarHBondContact O-N 3.15Å
257	A	95.3	Very high	97.1	Very high	78 Å²	78	51.6 Å²	51.6	65%	0.645	28%	0.275	S	S	*	.	H	α-helix	trans	-51.9	-40.7	-176.2	0	0	0	0	0	113.4	C259 Q260 S261	A257-C259 PolarHBondContact O-N 3.44Å; A257-Q260 WeakPolarHBondContact O-CB 3.28Å; A257-Q260 PolarHBondContact O-N 3.38Å; A257-Q260 VanDerWaalsContact O-N 3.13Å; A257-S261 PolarHBondContact O-N 3.39Å
258	E	93.8	Very high	97.2	Very high	96 Å²	96	53.8 Å²	53.8	45%	0.449	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-40.9	175.2	-57.9	-172.3	142.7	0	0	112.4	P256 Q260 S261 L262 H283 W285	P256-E258 PolarHBondContact O-N 3.24Å; P256-E258 VanDerWaalsContact O-N 3.14Å; E258-Q260 VanDerWaalsContact C-N 3.3Å; E258-Q260 PolarHBondContact O-N 2.9Å; E258-S261 PolarHBondContact O-N 3.04Å; E258-L262 PolarHBondContact O-N 3.47Å; E258-L262 VanDerWaalsContact O-N 3.11Å; E258-H283 PolarHBondContact O-CE1 3.17Å; E258-W285 HydrophobicContact CB-CB 3.96Å
259	C	96.2	Very high	97.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-40.1	173.6	-60.4	0	0	0	0	111.1	L226 V255 P256 A257 S261 L262 L263 W285	L226-C259 HydrophobicContact CD1-CB 3.97Å; V255-C259 HydrophobicContact CG1-CB 3.54Å; P256-C259 WeakPolarHBondContact O-CA 3.35Å; P256-C259 VanDerWaalsContact O-CB 3.25Å; P256-C259 WeakPolarHBondContact O-CB 3.47Å; P256-C259 PolarHBondContact O-N 3.45Å; A257-C259 PolarHBondContact O-N 3.44Å; C259-S261 VanDerWaalsContact C-N 3.32Å; C259-S261 PolarHBondContact O-N 3.35Å; C259-L262 PolarHBondContact O-N 2.82Å; C259-L263 WeakPolarHBondContact O-CB 3.38Å; C259-L263 VanDerWaalsContact O-CG 3.29Å; C259-L263 WeakPolarHBondContact O-CG 3.4Å; C259-L263 PolarHBondContact O-N 2.92Å; C259-W285 PolarHBondContact SG-NE1 2.82Å
260	Q	98	Very high	97.3	Very high	36 Å²	36	51.4 Å²	51.4	17%	0.168	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-42.2	-179.5	-48.6	-172.9	11.1	0	0	111.1	I251 V255 P256 A257 E258 L263 R264	I251-Q260 HydrophobicContact CD1-CB 4.07Å; I251-Q260 HydrophobicContact CG2-CB 4.28Å; I251-Q260 HydrophobicContact CG2-CG 3.75Å; V255-Q260 HydrophobicContact CB-CG 4.35Å; V255-Q260 HydrophobicContact CG1-CG 4.04Å; V255-Q260 PolarHBondContact O-NE2 2.88Å; P256-Q260 WeakPolarHBondContact O-CG 3.43Å; P256-Q260 PolarHBondContact O-N 3.15Å; A257-Q260 WeakPolarHBondContact O-CB 3.28Å; A257-Q260 PolarHBondContact O-N 3.38Å; A257-Q260 VanDerWaalsContact O-N 3.13Å; E258-Q260 VanDerWaalsContact C-N 3.3Å; E258-Q260 PolarHBondContact O-N 2.9Å; Q260-L263 PolarHBondContact O-N 3.14Å; Q260-R264 VanDerWaalsContact CB-NH1 3.33Å; Q260-R264 WeakPolarHBondContact O-CG 3.4Å; Q260-R264 PolarHBondContact O-N 3.38Å
261	S	97	Very high	97.3	Very high	64 Å²	64	48 Å²	48	45%	0.448	26%	0.256	S	S	.	.	H	α-helix	trans	-58.2	-48.1	173.9	-179.8	0	0	0	0	111.5	A257 E258 C259 R264 G265	A257-S261 PolarHBondContact O-N 3.39Å; E258-S261 PolarHBondContact O-N 3.04Å; C259-S261 VanDerWaalsContact C-N 3.32Å; C259-S261 PolarHBondContact O-N 3.35Å; S261-R264 PolarHBondContact O-N 2.77Å; S261-G265 PolarHBondContact O-N 2.97Å
262	L	98.4	Very high	97.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-47.9	177.2	-179.6	60.8	0	0	0	112.2	F138 L222 E258 C259 R264 G265 M266 M275 V280 H283 W285 V286	F138-L262 HydrophobicContact CE1-CD2 4.1Å; L222-L262 HydrophobicContact CD2-CD2 3.67Å; L222-L262 HydrophobicContact CD2-CG 4.15Å; E258-L262 PolarHBondContact O-N 3.47Å; E258-L262 VanDerWaalsContact O-N 3.11Å; C259-L262 PolarHBondContact O-N 2.82Å; L262-R264 PolarHBondContact O-N 2.9Å; L262-G265 PolarHBondContact O-N 3.48Å; L262-M266 HydrophobicContact CD1-CG 4.11Å; L262-M266 HydrophobicContact CD1-SD 3.79Å; L262-M266 HydrophobicContact CG-SD 3.9Å; L262-M266 WeakPolarHBondContact O-CG 3.28Å; L262-M266 PolarHBondContact O-N 2.92Å; L262-M275 HydrophobicContact CD1-CE 4.12Å; L262-M275 HydrophobicContact CD1-SD 3.79Å; L262-V280 HydrophobicContact CD1-CG1 4.26Å; L262-V280 HydrophobicContact CD1-CG2 4.39Å; L262-H283 HydrophobicContact CD1-CB 3.99Å; L262-W285 HydrophobicContact CD2-CE3 3.59Å; L262-W285 HydrophobicContact CD2-CZ3 4.12Å; L262-V286 HydrophobicContact CD2-CG2 3.52Å
263	L	98.7	Very high	97.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-46.7	178.7	-75.8	170.9	0	0	0	111.6	G219 L222 Y223 L226 F249 I251 V255 C259 Q260 G265 M266 I267	G219-L263 WeakPolarHBondContact O-CD2 3.36Å; L222-L263 HydrophobicContact CB-CD2 4.03Å; L222-L263 HydrophobicContact CD2-CD2 3.97Å; L222-L263 HydrophobicContact CD2-CG 4.38Å; L222-L263 HydrophobicContact CG-CD2 3.87Å; Y223-L263 HydrophobicContact CD2-CD1 4.24Å; L226-L263 HydrophobicContact CD1-CD1 4.32Å; F249-L263 HydrophobicContact CE2-CB 4.41Å; F249-L263 HydrophobicContact CZ-CB 4.46Å; I251-L263 HydrophobicContact CD1-CB 4.05Å; I251-L263 HydrophobicContact CD1-CD1 4.34Å; I251-L263 HydrophobicContact CG2-CD1 4.32Å; V255-L263 HydrophobicContact CG1-CD1 4.3Å; C259-L263 WeakPolarHBondContact O-CB 3.38Å; C259-L263 VanDerWaalsContact O-CG 3.29Å; C259-L263 WeakPolarHBondContact O-CG 3.4Å; C259-L263 PolarHBondContact O-N 2.92Å; Q260-L263 PolarHBondContact O-N 3.14Å; L263-G265 VanDerWaalsContact C-N 3.32Å; L263-G265 PolarHBondContact O-N 2.86Å; L263-M266 PolarHBondContact O-N 2.75Å; L263-I267 HydrophobicContact CD2-CD1 4.37Å; L263-I267 WeakPolarHBondContact O-CB 3.25Å; L263-I267 PolarHBondContact O-N 2.91Å
264	R	98.4	Very high	97.4	Very high	131 Å²	131	51.5 Å²	51.5	49%	0.494	28%	0.278	S	S	.	.	H	α-helix	trans	-61.9	-38.4	177.6	-71.8	-177.6	-169.4	103.3	4.5	112.2	I251 Q260 S261 L262	I251-R264 HydrophobicContact CD1-CG 3.93Å; Q260-R264 VanDerWaalsContact CB-NH1 3.33Å; Q260-R264 WeakPolarHBondContact O-CG 3.4Å; Q260-R264 PolarHBondContact O-N 3.38Å; S261-R264 PolarHBondContact O-N 2.77Å; L262-R264 PolarHBondContact O-N 2.9Å
265	G	98.4	Very high	97.5	Very high	16 Å²	16	48 Å²	48	17%	0.165	26%	0.264	C	S	.	.	H	α-helix	trans	-74.5	-28.7	178.3	0	0	0	0	0	114.3	S261 L262 L263 M275	S261-G265 PolarHBondContact O-N 2.97Å; L262-G265 PolarHBondContact O-N 3.48Å; L263-G265 VanDerWaalsContact C-N 3.32Å; L263-G265 PolarHBondContact O-N 2.86Å; G265-M275 VanDerWaalsContact O-CB 3.3Å; G265-M275 WeakPolarHBondContact O-CB 3.42Å; G265-M275 PolarHBondContact O-N 2.75Å
266	M	98.8	Very high	97.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-83.1	-45.4	177.6	-68.3	-179.6	74.5	0	0	112.6	F138 I142 I215 C218 L262 L263 E268 R274 V280	F138-M266 HydrophobicContact CE1-SD 4.49Å; F138-M266 HydrophobicContact CE2-CE 4.07Å; F138-M266 HydrophobicContact CE2-SD 4.45Å; F138-M266 HydrophobicContact CZ-CE 3.61Å; F138-M266 HydrophobicContact CZ-SD 3.66Å; I142-M266 HydrophobicContact CD1-CE 4.38Å; I215-M266 HydrophobicContact CG2-CB 4.3Å; I215-M266 HydrophobicContact CG2-CE 4.04Å; I215-M266 HydrophobicContact CG2-CG 4.15Å; I215-M266 VanDerWaalsContact O-CE 3.27Å; I215-M266 WeakPolarHBondContact O-CE 3.32Å; C218-M266 HydrophobicContact CB-CE 3.6Å; L262-M266 HydrophobicContact CD1-CG 4.11Å; L262-M266 HydrophobicContact CD1-SD 3.79Å; L262-M266 HydrophobicContact CG-SD 3.9Å; L262-M266 WeakPolarHBondContact O-CG 3.28Å; L262-M266 PolarHBondContact O-N 2.92Å; L263-M266 PolarHBondContact O-N 2.75Å; M266-E268 PolarHBondContact O-N 2.74Å; M266-E268 VanDerWaalsContact O-N 3.13Å; M266-R274 WeakPolarHBondContact O-CG 3.19Å; M266-V280 HydrophobicContact CE-CG1 4.32Å; M266-V280 HydrophobicContact CE-CG2 4.19Å; M266-V280 HydrophobicContact CG-CG2 3.8Å; M266-V280 HydrophobicContact SD-CG1 4.14Å; M266-V280 HydrophobicContact SD-CG2 4Å
267	I	98.7	Very high	97.3	Very high	5 Å²	5	49 Å²	49	3%	0.026	27%	0.269	C	S	.	.	S	Bend	trans	-89.1	56.3	176.6	-47.4	176.8	0	0	0	108.5	W216 V220 P231 F232 F249 L263	W216-I267 HydrophobicContact CD2-CG2 4.26Å; W216-I267 HydrophobicContact CE3-CG2 4.12Å; W216-I267 HydrophobicContact CH2-CG2 3.6Å; W216-I267 HydrophobicContact CZ2-CG2 3.76Å; W216-I267 HydrophobicContact CZ3-CB 4.5Å; W216-I267 HydrophobicContact CZ3-CG2 3.79Å; V220-I267 HydrophobicContact CG2-CD1 4.46Å; P231-I267 HydrophobicContact CB-CD1 4.48Å; P231-I267 HydrophobicContact CG-CD1 4.26Å; F232-I267 HydrophobicContact CE2-CG2 3.65Å; F232-I267 HydrophobicContact CZ-CG2 3.68Å; F249-I267 HydrophobicContact CD1-CB 4.49Å; F249-I267 HydrophobicContact CD1-CG2 3.99Å; F249-I267 HydrophobicContact CE1-CB 3.68Å; F249-I267 HydrophobicContact CE1-CD1 4.3Å; F249-I267 HydrophobicContact CE1-CG2 3.65Å; F249-I267 HydrophobicContact CE2-CD1 4.03Å; F249-I267 HydrophobicContact CZ-CB 3.86Å; F249-I267 HydrophobicContact CZ-CD1 3.89Å; F249-I267 HydrophobicContact CZ-CG1 4.35Å; F249-I267 HydrophobicContact CZ-CG2 4.24Å; L263-I267 HydrophobicContact CD2-CD1 4.37Å; L263-I267 WeakPolarHBondContact O-CB 3.25Å; L263-I267 PolarHBondContact O-N 2.91Å
268	E	98.6	Very high	97.1	Very high	56 Å²	56	47.3 Å²	47.3	26%	0.262	25%	0.248	S	C	.	.			trans	-107.1	124.5	-179.8	169	57.6	-102.5	0	0	109.5	M266 N270 R273 R274	M266-E268 PolarHBondContact O-N 2.74Å; M266-E268 VanDerWaalsContact O-N 3.13Å; E268-N270 WeakPolarHBondContact CG-O 3.24Å; E268-N270 WeakPolarHBondContact OE1-CB 3.39Å; E268-N270 PolarHBondContact OE1-N 3.45Å; E268-R273 HydrophobicContact CG-CB 3.82Å; E268-R274 HydrophobicContact CB-CB 4.06Å; E268-R274 HydrophobicContact CB-CG 4.22Å; E268-R274 HydrophobicContact CG-CB 4.19Å; E268-R274 PolarHBondContact O-NE 3.28Å; E268-R274 PolarHBondContact O-NH2 3.17Å; E268-R274 VanDerWaalsContact O-NH2 3.13Å
269	V	98.4	Very high	97.1	Very high	35 Å²	35	44.3 Å²	44.3	21%	0.212	24%	0.24	C	C	.	.	S	Bend	trans	-68.9	-40.9	-176	177.6	0	0	0	0	110.5	P200 W216 V271	P200-V269 HydrophobicContact CB-CG1 4.24Å; P200-V269 HydrophobicContact CG-CB 4.44Å; P200-V269 HydrophobicContact CG-CG1 4.12Å; P200-V269 HydrophobicContact CG-CG2 4.17Å; W216-V269 HydrophobicContact CH2-CG2 4.25Å; W216-V269 HydrophobicContact CZ3-CG2 4.27Å; V269-V271 PolarHBondContact O-N 3.42Å; V269-V271 VanDerWaalsContact O-N 3.12Å
270	N	98	Very high	97.1	Very high	73 Å²	73	44.3 Å²	44.3	39%	0.39	24%	0.24	S	C	.	.	S	Bend	trans	-73.9	104.7	177.2	-176.8	-30.6	0	0	0	109.9	E268 A272 R273 R274	E268-N270 WeakPolarHBondContact CG-O 3.24Å; E268-N270 WeakPolarHBondContact OE1-CB 3.39Å; E268-N270 PolarHBondContact OE1-N 3.45Å; N270-A272 PolarHBondContact O-N 3.4Å; N270-A272 VanDerWaalsContact O-N 3.09Å; N270-A272 WeakPolarHBondContact OD1-CB 3.4Å; N270-A272 PolarHBondContact OD1-N 2.87Å; N270-R273 HydrophobicContact CB-CB 4.16Å; N270-R273 HydrophobicContact CB-CG 4.26Å; N270-R273 CarbonylContact O-C 3.53Å; N270-R273 WeakPolarHBondContact O-CA 3.38Å; N270-R273 PolarHBondContact O-N 2.72Å; N270-R273 PolarHBondContact OD1-N 2.91Å; N270-R274 PolarHBondContact O-N 3Å
271	V	97	Very high	96.7	Very high	50 Å²	50	43.9 Å²	43.9	30%	0.303	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-33.6	-177.5	-177.9	0	0	0	0	113.2	E201 K212 V269 R274	E201-V271 HydrophobicContact CG-CG2 4.32Å; K212-V271 HydrophobicContact CB-CG1 4.17Å; K212-V271 HydrophobicContact CG-CG1 4.07Å; K212-V271 PolarHBondContact NZ-O 2.75Å; V269-V271 PolarHBondContact O-N 3.42Å; V269-V271 VanDerWaalsContact O-N 3.12Å; V271-R274 PolarHBondContact O-N 2.7Å
272	A	96.6	Very high	96.3	Very high	91 Å²	91	48.3 Å²	48.3	75%	0.752	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-32.5	177.9	0	0	0	0	0	112.3	N270	N270-A272 PolarHBondContact O-N 3.4Å; N270-A272 VanDerWaalsContact O-N 3.09Å; N270-A272 WeakPolarHBondContact OD1-CB 3.4Å; N270-A272 PolarHBondContact OD1-N 2.87Å
273	R	98	Very high	96.1	Very high	189 Å²	189	49.8 Å²	49.8	71%	0.713	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-20.8	174.7	-64.5	-177.1	177.1	-179.2	-1.1	113	E268 N270 M275	E268-R273 HydrophobicContact CG-CB 3.82Å; N270-R273 HydrophobicContact CB-CB 4.16Å; N270-R273 HydrophobicContact CB-CG 4.26Å; N270-R273 CarbonylContact O-C 3.53Å; N270-R273 WeakPolarHBondContact O-CA 3.38Å; N270-R273 PolarHBondContact O-N 2.72Å; N270-R273 PolarHBondContact OD1-N 2.91Å; R273-M275 PolarHBondContact O-N 3.32Å
274	R	98.4	Very high	95.8	Very high	3 Å²	3	53.4 Å²	53.4	1%	0.011	28%	0.277	C	S	.	.	S	Bend	trans	-58.7	128.9	179.3	-168.3	-177.5	-57.8	154.4	6.8	110.6	E201 K212 M266 E268 N270 V271 T276	E201-R274 IonicContact OE1-CZ 3.83Å; E201-R274 IonicContact OE1-NH1 3.31Å; E201-R274 PolarHBondContact OE1-NH1 3.37Å; E201-R274 IonicContact OE1-NH2 3.63Å; E201-R274 PolarHBondContact OE1-NH2 3.44Å; E201-R274 IonicContact OE2-CZ 2.76Å; E201-R274 IonicContact OE2-NH1 2.88Å; E201-R274 IonicContact OE2-NH2 2.71Å; E201-R274 PolarHBondContact OE2-NH2 2.83Å; K212-R274 PolarHBondContact NZ-O 3.06Å; K212-R274 WeakPolarHBondContact O-CD 3.42Å; K212-R274 PolarHBondContact O-NH1 2.64Å; M266-R274 WeakPolarHBondContact O-CG 3.19Å; E268-R274 HydrophobicContact CB-CB 4.06Å; E268-R274 HydrophobicContact CB-CG 4.22Å; E268-R274 HydrophobicContact CG-CB 4.19Å; E268-R274 PolarHBondContact O-NE 3.28Å; E268-R274 PolarHBondContact O-NH2 3.17Å; E268-R274 VanDerWaalsContact O-NH2 3.13Å; N270-R274 PolarHBondContact O-N 3Å; V271-R274 PolarHBondContact O-N 2.7Å; R274-T276 PolarHBondContact O-N 3.45Å
275	M	97.5	Very high	95.5	Very high	32 Å²	32	47.2 Å²	47.2	16%	0.158	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-52.3	137.1	-177.6	-164.1	176.2	-64	0	0	110.6	I215 L262 G265 R273 A279 V280	I215-M275 WeakPolarHBondContact CD1-O 3.36Å; L262-M275 HydrophobicContact CD1-CE 4.12Å; L262-M275 HydrophobicContact CD1-SD 3.79Å; G265-M275 VanDerWaalsContact O-CB 3.3Å; G265-M275 WeakPolarHBondContact O-CB 3.42Å; G265-M275 PolarHBondContact O-N 2.75Å; R273-M275 PolarHBondContact O-N 3.32Å; M275-A279 HydrophobicContact CG-CB 3.4Å; M275-A279 HydrophobicContact SD-CB 4.06Å; M275-V280 HydrophobicContact CB-CG2 4.21Å; M275-V280 HydrophobicContact CG-CG2 3.79Å; M275-V280 VanDerWaalsContact SD-CA 3.59Å; M275-V280 HydrophobicContact SD-CB 4.16Å; M275-V280 HydrophobicContact SD-CG2 3.5Å; M275-V280 VanDerWaalsContact SD-CG2 3.5Å; M275-V280 PolarHBondContact SD-N 3.04Å; M275-V280 VanDerWaalsContact SD-N 3.44Å
276	T	95.5	Very high	95.2	Very high	61 Å²	61	46.6 Å²	46.6	37%	0.374	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-77.7	155.8	170.8	61.1	0	0	0	0	109.5	R274 D278 A279 V280	R274-T276 PolarHBondContact O-N 3.45Å; T276-D278 PolarHBondContact O-N 2.93Å; T276-D278 VanDerWaalsContact O-N 3.16Å; T276-A279 PolarHBondContact O-N 3.25Å; T276-A279 PolarHBondContact OG1-N 3.06Å; T276-V280 PolarHBondContact O-N 2.82Å
277	L	93.7	Very high	94.6	Very high	14 Å²	14	49 Å²	49	7%	0.073	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-34.8	177.1	-169.3	63.6	0	0	0	111.3	I142 L145 D146 H149 I215 A279 V280 F281	I142-L277 HydrophobicContact CD1-CD1 3.92Å; I142-L277 HydrophobicContact CG2-CD1 4Å; L145-L277 HydrophobicContact CB-CD2 4.48Å; L145-L277 HydrophobicContact CD2-CD1 4.16Å; L145-L277 HydrophobicContact CG-CD2 4.31Å; D146-L277 VanDerWaalsContact CA-CD2 3.49Å; D146-L277 HydrophobicContact CB-CD2 4.15Å; H149-L277 HydrophobicContact CB-CD2 4.35Å; I215-L277 HydrophobicContact CD1-CB 3.99Å; I215-L277 VanDerWaalsContact CD1-N 3.3Å; I215-L277 HydrophobicContact CG1-CB 4.36Å; I215-L277 HydrophobicContact CG1-CD1 4.34Å; L277-A279 PolarHBondContact O-N 2.96Å; L277-V280 WeakPolarHBondContact O-CB 3.35Å; L277-V280 PolarHBondContact O-N 3.14Å; L277-F281 HydrophobicContact CD2-CE2 4.49Å; L277-F281 HydrophobicContact CG-CD2 4.18Å; L277-F281 HydrophobicContact CG-CE2 4.14Å; L277-F281 WeakPolarHBondContact O-CD2 3.31Å; L277-F281 PolarHBondContact O-N 3.38Å
278	D	90.9	Very high	93.8	Very high	41 Å²	41	50.2 Å²	50.2	22%	0.219	28%	0.28	C	S	.	.	H	α-helix	trans	-58.1	-44.3	173	-178.8	56.1	0	0	0	113.5	T276 R282 R296	T276-D278 PolarHBondContact O-N 2.93Å; T276-D278 VanDerWaalsContact O-N 3.16Å; D278-R282 PolarHBondContact O-N 3.12Å; D278-R282 IonicContact OD1-CZ 3.72Å; D278-R282 IonicContact OD1-NH1 3.38Å; D278-R282 PolarHBondContact OD1-NH1 2.95Å; D278-R282 IonicContact OD1-NH2 3.39Å; D278-R282 IonicContact OD2-CZ 3.72Å; D278-R282 IonicContact OD2-NH1 2.68Å; D278-R282 PolarHBondContact OD2-NH1 3.35Å; D278-R282 IonicContact OD2-NH2 2.82Å; D278-R282 PolarHBondContact OD2-NH2 2.88Å; D278-R296 IonicContact OD1-CZ 3.64Å; D278-R296 IonicContact OD1-NH1 3.06Å; D278-R296 PolarHBondContact OD1-NH1 2.96Å; D278-R296 IonicContact OD1-NH2 2.74Å; D278-R296 PolarHBondContact OD1-NH2 3.28Å
279	A	94.4	Very high	92.3	Very high	33 Å²	33	52 Å²	52	27%	0.273	31%	0.313	S	S	.	.	H	α-helix	trans	-71.1	-35.2	174.1	0	0	0	0	0	112.2	M275 T276 L277 F281 R282 H283	M275-A279 HydrophobicContact CG-CB 3.4Å; M275-A279 HydrophobicContact SD-CB 4.06Å; T276-A279 PolarHBondContact O-N 3.25Å; T276-A279 PolarHBondContact OG1-N 3.06Å; L277-A279 PolarHBondContact O-N 2.96Å; A279-F281 PolarHBondContact O-N 3.5Å; A279-R282 PolarHBondContact O-N 3.28Å; A279-H283 PolarHBondContact O-N 3.33Å
280	V	95.9	Very high	90.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.7	-46	173.6	173.1	0	0	0	0	110.7	F138 I142 I215 L262 M266 M275 T276 L277 R282 H283 V286	F138-V280 HydrophobicContact CE1-CG1 4.13Å; F138-V280 HydrophobicContact CZ-CG1 4.19Å; I142-V280 HydrophobicContact CD1-CG1 3.95Å; I142-V280 HydrophobicContact CG1-CG1 4.12Å; I142-V280 HydrophobicContact CG2-CG1 4.2Å; I215-V280 HydrophobicContact CG2-CG2 4.33Å; L262-V280 HydrophobicContact CD1-CG1 4.26Å; L262-V280 HydrophobicContact CD1-CG2 4.39Å; M266-V280 HydrophobicContact CE-CG1 4.32Å; M266-V280 HydrophobicContact CE-CG2 4.19Å; M266-V280 HydrophobicContact CG-CG2 3.8Å; M266-V280 HydrophobicContact SD-CG1 4.14Å; M266-V280 HydrophobicContact SD-CG2 4Å; M275-V280 HydrophobicContact CB-CG2 4.21Å; M275-V280 HydrophobicContact CG-CG2 3.79Å; M275-V280 VanDerWaalsContact SD-CA 3.59Å; M275-V280 HydrophobicContact SD-CB 4.16Å; M275-V280 HydrophobicContact SD-CG2 3.5Å; M275-V280 VanDerWaalsContact SD-CG2 3.5Å; M275-V280 PolarHBondContact SD-N 3.04Å; M275-V280 VanDerWaalsContact SD-N 3.44Å; T276-V280 PolarHBondContact O-N 2.82Å; L277-V280 WeakPolarHBondContact O-CB 3.35Å; L277-V280 PolarHBondContact O-N 3.14Å; V280-R282 VanDerWaalsContact C-N 3.34Å; V280-R282 PolarHBondContact O-N 3.4Å; V280-H283 WeakPolarHBondContact O-CB 3.31Å; V280-H283 PolarHBondContact O-N 3.32Å; V280-V286 HydrophobicContact CG1-CG2 4.49Å; V280-V286 WeakPolarHBondContact O-CB 3.45Å; V280-V286 WeakPolarHBondContact O-CG2 3.48Å
281	F	89	Confident	88.4	Confident	27 Å²	27	59 Å²	59	12%	0.118	35%	0.345	C	S	.	.	H	α-helix	trans	-59.5	-42.6	177.6	-99.8	-78.8	0	0	0	113.7	I142 D146 L277 A279 H283 V294	I142-F281 HydrophobicContact CG2-CD1 4.31Å; I142-F281 HydrophobicContact CG2-CD2 3.61Å; I142-F281 HydrophobicContact CG2-CE1 4.04Å; I142-F281 HydrophobicContact CG2-CE2 3.23Å; I142-F281 HydrophobicContact CG2-CG 4.13Å; I142-F281 HydrophobicContact CG2-CZ 3.52Å; I142-F281 WeakPolarHBondContact O-CE2 3.43Å; I142-F281 WeakPolarHBondContact O-CZ 3.34Å; D146-F281 HydrophobicContact CB-CE2 3.49Å; D146-F281 VanDerWaalsContact CB-CE2 3.49Å; D146-F281 HydrophobicContact CB-CZ 3.68Å; L277-F281 HydrophobicContact CD2-CE2 4.49Å; L277-F281 HydrophobicContact CG-CD2 4.18Å; L277-F281 HydrophobicContact CG-CE2 4.14Å; L277-F281 WeakPolarHBondContact O-CD2 3.31Å; L277-F281 PolarHBondContact O-N 3.38Å; A279-F281 PolarHBondContact O-N 3.5Å; F281-H283 VanDerWaalsContact C-N 3.3Å; F281-V294 HydrophobicContact CE1-CB 4.33Å; F281-V294 HydrophobicContact CE1-CG1 3.81Å; F281-V294 HydrophobicContact CZ-CG1 4.44Å
282	R	89.2	Confident	86.4	Confident	158 Å²	158	60.8 Å²	60.8	60%	0.596	35%	0.352	S	S	*	.	H	α-helix	trans	-80.8	-11.2	-177.5	-71.2	-163.4	-63.5	-95	-5.4	113.4	D278 A279 V280 S284	D278-R282 PolarHBondContact O-N 3.12Å; D278-R282 IonicContact OD1-CZ 3.72Å; D278-R282 IonicContact OD1-NH1 3.38Å; D278-R282 PolarHBondContact OD1-NH1 2.95Å; D278-R282 IonicContact OD1-NH2 3.39Å; D278-R282 IonicContact OD2-CZ 3.72Å; D278-R282 IonicContact OD2-NH1 2.68Å; D278-R282 PolarHBondContact OD2-NH1 3.35Å; D278-R282 IonicContact OD2-NH2 2.82Å; D278-R282 PolarHBondContact OD2-NH2 2.88Å; A279-R282 PolarHBondContact O-N 3.28Å; V280-R282 VanDerWaalsContact C-N 3.34Å; V280-R282 PolarHBondContact O-N 3.4Å; R282-S284 PolarHBondContact O-N 3.49Å
283	H	94.1	Very high	84.3	Confident	31 Å²	31	63.2 Å²	63.2	14%	0.144	35%	0.353	C	S	.	.	S	Bend	trans	-59.1	132	-179.6	-168.3	-79.9	0	0	0	110.6	E258 L262 A279 V280 F281 W285 V286 A287	E258-H283 PolarHBondContact O-CE1 3.17Å; L262-H283 HydrophobicContact CD1-CB 3.99Å; A279-H283 PolarHBondContact O-N 3.33Å; V280-H283 WeakPolarHBondContact O-CB 3.31Å; V280-H283 PolarHBondContact O-N 3.32Å; F281-H283 VanDerWaalsContact C-N 3.3Å; H283-W285 PolarHBondContact ND1-N 3.43Å; H283-W285 PolarHBondContact O-N 2.91Å; H283-W285 VanDerWaalsContact O-N 3.07Å; H283-V286 HydrophobicContact CB-CG2 4.33Å; H283-V286 PolarHBondContact O-N 2.99Å; H283-A287 PolarHBondContact O-N 3.48Å
284	S	91.5	Very high	82.5	Confident	75 Å²	75	56.2 Å²	56.2	52%	0.524	33%	0.33	S	S	.	.	H	α-helix	trans	-50.4	-41.5	-172.4	-53.2	0	0	0	0	113	R282 V286 G288	R282-S284 PolarHBondContact O-N 3.49Å; S284-V286 PolarHBondContact O-N 2.87Å; S284-G288 WeakPolarHBondContact O-CA 3.14Å; S284-G288 PolarHBondContact O-N 3.18Å
285	W	93.7	Very high	80.9	Confident	1 Å²	1	64 Å²	64	0%	0.004	37%	0.367	C	S	.	.	H	α-helix	trans	-64	-37.1	178.1	-173.2	79.7	0	0	0	114.6	V131 R135 F138 L222 L226 E258 C259 L262 H283	V131-W285 HydrophobicContact CG1-CZ2 3.98Å; R135-W285 HydrophobicContact CB-CH2 3.75Å; R135-W285 HydrophobicContact CB-CZ2 3.64Å; R135-W285 HydrophobicContact CB-CZ3 4.43Å; R135-W285 VanDerWaalsContact CD-O 3.23Å; R135-W285 WeakPolarHBondContact CD-O 3.14Å; R135-W285 HydrophobicContact CG-CH2 4.12Å; R135-W285 HydrophobicContact CG-CZ2 4.11Å; R135-W285 HydrophobicContact CG-CZ3 4.33Å; R135-W285 PolarHBondContact NE-O 3.38Å; F138-W285 HydrophobicContact CB-CZ3 4.49Å; F138-W285 AromaticContact CD1-CZ3 3.81Å; F138-W285 HydrophobicContact CD1-CZ3 3.81Å; F138-W285 HydrophobicContact CE1-CZ3 4.44Å; F138-W285 HydrophobicContact CG-CZ3 4.37Å; L222-W285 HydrophobicContact CD1-CH2 3.52Å; L222-W285 HydrophobicContact CD1-CZ3 3.68Å; L222-W285 HydrophobicContact CD2-CZ3 4.01Å; L226-W285 HydrophobicContact CD2-CZ2 4.39Å; E258-W285 HydrophobicContact CB-CB 3.96Å; C259-W285 PolarHBondContact SG-NE1 2.82Å; L262-W285 HydrophobicContact CD2-CE3 3.59Å; L262-W285 HydrophobicContact CD2-CZ3 4.12Å; H283-W285 PolarHBondContact ND1-N 3.43Å; H283-W285 PolarHBondContact O-N 2.91Å; H283-W285 VanDerWaalsContact O-N 3.07Å
286	V	92	Very high	79.9	Confident	4 Å²	4	68.5 Å²	68.5	2%	0.024	38%	0.382	C	S	.	.	H	α-helix	trans	-76.9	-44.8	-179.7	-178.8	0	0	0	0	109.9	F138 R139 L262 V280 H283 S284	F138-V286 HydrophobicContact CD1-CG2 4.24Å; F138-V286 HydrophobicContact CE1-CG2 3.9Å; R139-V286 WeakPolarHBondContact CD-O 3.48Å; R139-V286 HydrophobicContact CG-CG1 3.99Å; R139-V286 PolarHBondContact NH1-O 3.23Å; L262-V286 HydrophobicContact CD2-CG2 3.52Å; V280-V286 HydrophobicContact CG1-CG2 4.49Å; V280-V286 WeakPolarHBondContact O-CB 3.45Å; V280-V286 WeakPolarHBondContact O-CG2 3.48Å; H283-V286 HydrophobicContact CB-CG2 4.33Å; H283-V286 PolarHBondContact O-N 2.99Å; S284-V286 PolarHBondContact O-N 2.87Å
287	A	86.1	Confident	79.3	Confident	51 Å²	51	67.1 Å²	67.1	42%	0.421	38%	0.375	S	S	.	.	H	α-helix	trans	-68.9	-34.8	179.1	0	0	0	0	0	112.5	R139 H283	R139-A287 PolarHBondContact NH1-O 3.24Å; H283-A287 PolarHBondContact O-N 3.48Å
288	G	81.2	Confident	78.9	Confident	30 Å²	30	69.9 Å²	69.9	31%	0.309	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	144	-172.7	0	0	0	0	0	115.2	R139 S284 S290	R139-G288 PolarHBondContact NH1-O 3.48Å; S284-G288 WeakPolarHBondContact O-CA 3.14Å; S284-G288 PolarHBondContact O-N 3.18Å; G288-S290 PolarHBondContact O-N 3.34Å
289	G	66.4	Low	78.6	Confident	93 Å²	93	70.2 Å²	70.2	96%	0.959	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	7.7	166.5	0	0	0	0	0	117.1
290	S	62.1	Low	78	Confident	58 Å²	58	69 Å²	69	41%	0.406	39%	0.389	S	S	.	.			trans	-139.9	140.1	178.2	-162.8	0	0	0	0	114.2	G288 L292	G288-S290 PolarHBondContact O-N 3.34Å; S290-L292 PolarHBondContact O-N 3.48Å; S290-L292 WeakPolarHBondContact OG-CB 3.34Å; S290-L292 VanDerWaalsContact OG-CG 3.27Å; S290-L292 WeakPolarHBondContact OG-CG 3.47Å; S290-L292 PolarHBondContact OG-N 2.94Å
291	K	54.2	Low	77.5	Confident	198 Å²	198	71.6 Å²	71.6	86%	0.861	40%	0.403	S	S	*	.			trans	-78.5	13.2	161	-61.7	-174.1	-179.1	-179	0	113	N293	K291-N293 PolarHBondContact O-N 3.22Å
292	L	54.9	Low	77.4	Confident	87 Å²	87	78.5 Å²	78.5	46%	0.455	43%	0.433	S	S	.	.			trans	-58.5	88.9	164.1	-83.4	171	0	0	0	106	R139 S290 V294	R139-L292 VanDerWaalsContact NH2-CB 3.26Å; S290-L292 PolarHBondContact O-N 3.48Å; S290-L292 WeakPolarHBondContact OG-CB 3.34Å; S290-L292 VanDerWaalsContact OG-CG 3.27Å; S290-L292 WeakPolarHBondContact OG-CG 3.47Å; S290-L292 PolarHBondContact OG-N 2.94Å; L292-V294 HydrophobicContact CB-CG2 3.72Å; L292-V294 PolarHBondContact O-N 3.43Å
293	N	52.6	Low	77.1	Confident	142 Å²	142	75.4 Å²	75.4	76%	0.759	43%	0.431	S	S	*	.			trans	-64.1	70.2	160.4	-71.2	-19	0	0	0	104.4	K291 Q295	K291-N293 PolarHBondContact O-N 3.22Å; N293-Q295 PolarHBondContact O-N 3.14Å
294	V	59	Low	76.7	Confident	41 Å²	41	75.4 Å²	75.4	25%	0.248	43%	0.433	C	S	.	.			trans	-68.8	90.7	174.3	-171.4	0	0	0	0	104	C143 F281 L292 R296	C143-V294 HydrophobicContact CB-CG1 4.14Å; C143-V294 VanDerWaalsContact SG-CG1 3.5Å; F281-V294 HydrophobicContact CE1-CB 4.33Å; F281-V294 HydrophobicContact CE1-CG1 3.81Å; F281-V294 HydrophobicContact CZ-CG1 4.44Å; L292-V294 HydrophobicContact CB-CG2 3.72Å; L292-V294 PolarHBondContact O-N 3.43Å; V294-R296 PolarHBondContact O-N 3.46Å
295	Q	65.1	Low	76.5	Confident	166 Å²	166	78.8 Å²	78.8	78%	0.776	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-64.2	121.5	173.7	-70.3	-172.7	9.2	0	0	105.9	N293	N293-Q295 PolarHBondContact O-N 3.14Å
296	R	76.5	Confident	76.3	Confident	127 Å²	127	80.1 Å²	80.1	48%	0.479	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-58.4	145	176.6	-65.3	-168	64.8	-168.9	6.1	110.1	D146 D278 V294 S298	D146-R296 IonicContact OD1-NE 2.66Å; D146-R296 IonicContact OD1-NH2 3.45Å; D146-R296 WeakPolarHBondContact OD2-CA 3.34Å; D278-R296 IonicContact OD1-CZ 3.64Å; D278-R296 IonicContact OD1-NH1 3.06Å; D278-R296 PolarHBondContact OD1-NH1 2.96Å; D278-R296 IonicContact OD1-NH2 2.74Å; D278-R296 PolarHBondContact OD1-NH2 3.28Å; V294-R296 PolarHBondContact O-N 3.46Å; R296-S298 PolarHBondContact O-N 2.92Å
297	S	83.4	Confident	76.2	Confident	32 Å²	32	83.8 Å²	83.8	22%	0.224	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-74.8	116	172.1	-62.3	0	0	0	0	108.4	D146 Y147	D146-S297 PolarHBondContact OD2-N 3.46Å; Y147-S297 WeakPolarHBondContact CA-OG 3.39Å
298	S	84.1	Confident	76.5	Confident	73 Å²	73	85.5 Å²	85.5	51%	0.51	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-64.2	142	169.2	-72.6	0	0	0	0	109.3	R296 M300	R296-S298 PolarHBondContact O-N 2.92Å; S298-M300 PolarHBondContact O-N 3.4Å
299	P	84.5	Confident	77	Confident	48 Å²	48	84.6 Å²	84.6	31%	0.312	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-49.8	137.2	176.1	-28.2	34.3	0	0	0	111.5	A150 L301 K302 V303	A150-P299 WeakPolarHBondContact O-CA 3.5Å; P299-L301 PolarHBondContact O-N 3.23Å; P299-L301 VanDerWaalsContact O-N 3.14Å; P299-K302 HydrophobicContact CB-CG 4.42Å; P299-K302 HydrophobicContact CG-CD 4.41Å; P299-K302 WeakPolarHBondContact O-CB 3.26Å; P299-K302 PolarHBondContact O-N 2.96Å; P299-V303 PolarHBondContact O-N 3.01Å
300	M	83.7	Confident	78.2	Confident	7 Å²	7	85 Å²	85	3%	0.034	45%	0.447	C	S	.	.	H	α-helix	trans	-56.2	-35.6	-176.7	-168.8	-175.9	43.1	0	0	111.3	A150 H151 S298 K302 V303 V304 V349 V350 V353	A150-M300 PolarHBondContact O-N 3.33Å; H151-M300 PolarHBondContact CD2-SD 3.33Å; S298-M300 PolarHBondContact O-N 3.4Å; M300-K302 PolarHBondContact O-N 3.17Å; M300-K302 VanDerWaalsContact O-N 3.17Å; M300-V303 PolarHBondContact O-N 3.08Å; M300-V304 HydrophobicContact CG-CB 4.42Å; M300-V304 HydrophobicContact CG-CG2 3.44Å; M300-V304 VanDerWaalsContact CG-CG2 3.44Å; M300-V304 WeakPolarHBondContact O-CB 3.48Å; M300-V304 WeakPolarHBondContact O-CG2 3.3Å; M300-V304 PolarHBondContact O-N 2.87Å; M300-V304 HydrophobicContact SD-CG2 4.46Å; M300-V349 HydrophobicContact CB-CG1 4.09Å; M300-V349 HydrophobicContact CE-CG1 3.54Å; M300-V349 HydrophobicContact CG-CG1 3.38Å; M300-V349 HydrophobicContact SD-CG1 3.65Å; M300-V350 HydrophobicContact CE-CG2 3.91Å; M300-V353 HydrophobicContact CG-CG2 4.23Å; M300-V353 HydrophobicContact SD-CB 4.3Å; M300-V353 HydrophobicContact SD-CG2 3.63Å
301	L	84.9	Confident	79.7	Confident	55 Å²	55	84.1 Å²	84.1	29%	0.288	44%	0.44	S	S	.	.	H	α-helix	trans	-59.6	-21	173.8	-165	71.8	0	0	0	114.4	P299 H344 V349	P299-L301 PolarHBondContact O-N 3.23Å; P299-L301 VanDerWaalsContact O-N 3.14Å; L301-H344 PolarHBondContact O-NE2 2.82Å; L301-V349 HydrophobicContact CD1-CG2 4Å
302	K	86	Confident	81.6	Confident	172 Å²	172	78.9 Å²	78.9	75%	0.748	42%	0.419	S	S	*	.	H	α-helix	trans	-96.4	-23.9	177.5	-65.1	-172.6	179.5	-178.2	0	113.3	P299 M300	P299-K302 HydrophobicContact CB-CG 4.42Å; P299-K302 HydrophobicContact CG-CD 4.41Å; P299-K302 WeakPolarHBondContact O-CB 3.26Å; P299-K302 PolarHBondContact O-N 2.96Å; M300-K302 PolarHBondContact O-N 3.17Å; M300-K302 VanDerWaalsContact O-N 3.17Å
303	V	82.9	Confident	83.4	Confident	92 Å²	92	82 Å²	82	56%	0.558	43%	0.431	S	S	*	.	H	α-helix	trans	-101.3	-35.7	-170.2	-176	0	0	0	0	111.9	P299 M300	P299-V303 PolarHBondContact O-N 3.01Å; M300-V303 PolarHBondContact O-N 3.08Å
304	V	85.7	Confident	85.4	Confident	31 Å²	31	77.8 Å²	77.8	19%	0.188	41%	0.412	C	S	.	.			trans	-81.3	123.4	-175.8	176.4	0	0	0	0	109.5	M300 H344 V349 F352 V353	M300-V304 HydrophobicContact CG-CB 4.42Å; M300-V304 HydrophobicContact CG-CG2 3.44Å; M300-V304 VanDerWaalsContact CG-CG2 3.44Å; M300-V304 WeakPolarHBondContact O-CB 3.48Å; M300-V304 WeakPolarHBondContact O-CG2 3.3Å; M300-V304 PolarHBondContact O-N 2.87Å; M300-V304 HydrophobicContact SD-CG2 4.46Å; V304-H344 PolarHBondContact O-CE1 2.83Å; V304-H344 VanDerWaalsContact O-CE1 3.23Å; V304-V349 HydrophobicContact CB-CG1 3.83Å; V304-V349 HydrophobicContact CB-CG2 4.26Å; V304-V349 HydrophobicContact CG1-CB 4.48Å; V304-V349 HydrophobicContact CG1-CG1 4.1Å; V304-V349 HydrophobicContact CG1-CG2 4.35Å; V304-V349 HydrophobicContact CG2-CG1 4.03Å; V304-F352 HydrophobicContact CG1-CB 4.29Å; V304-V353 HydrophobicContact CB-CG2 4.45Å; V304-V353 HydrophobicContact CG1-CG2 4.05Å; V304-V353 HydrophobicContact CG2-CG2 3.58Å
305	Q	86.7	Confident	87.1	Confident	146 Å²	146	76.3 Å²	76.3	68%	0.682	40%	0.403	S	S	*	.			trans	-84.6	129	172	-65.5	-178.8	-8.9	0	0	109.3
306	T	90.9	Very high	88.5	Confident	29 Å²	29	69.5 Å²	69.5	18%	0.178	37%	0.371	C	S	.	.			trans	-108.5	145.9	177.7	61.7	0	0	0	0	110	H344 K348 V349 F352	T306-H344 VanDerWaalsContact CG2-CE1 3.42Å; T306-H344 WeakPolarHBondContact CG2-CE1 3.45Å; T306-H344 VanDerWaalsContact CG2-ND1 3.31Å; T306-H344 WeakPolarHBondContact CG2-ND1 2.89Å; T306-H344 PolarHBondContact OG1-ND1 3.49Å; T306-K348 HydrophobicContact CG2-CB 3.63Å; T306-V349 HydrophobicContact CG2-CG2 3.69Å; T306-F352 HydrophobicContact CG2-CD2 3.8Å; T306-F352 HydrophobicContact CG2-CE2 4.45Å
307	L	90	Very high	89.2	Confident	82 Å²	82	68.3 Å²	68.3	43%	0.429	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-101	165.3	173.9	-53.6	176.1	0	0	0	110.6	K348 F352 F396	L307-K348 PolarHBondContact O-NZ 2.97Å; L307-F352 HydrophobicContact CB-CE1 3.96Å; L307-F352 HydrophobicContact CB-CE2 4.42Å; L307-F352 HydrophobicContact CB-CZ 3.61Å; L307-F352 HydrophobicContact CD1-CE1 4.24Å; L307-F352 HydrophobicContact CG-CE1 4.09Å; L307-F352 HydrophobicContact CG-CZ 4.23Å; L307-F352 VanDerWaalsContact N-CE2 3.25Å; L307-F352 VanDerWaalsContact N-CZ 3.27Å; L307-F352 WeakPolarHBondContact O-CE2 3.42Å; L307-F396 HydrophobicContact CD1-CD1 3.42Å; L307-F396 VanDerWaalsContact CD1-CD1 3.42Å; L307-F396 HydrophobicContact CD1-CE1 3.65Å; L307-F396 HydrophobicContact CD1-CG 4.38Å
308	V	91.2	Very high	89.5	Confident	87 Å²	87	67.5 Å²	67.5	53%	0.527	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-77.4	127.9	167.7	179.6	0	0	0	0	107.7
309	I	93.1	Very high	90	Very high	11 Å²	11	64 Å²	64	6%	0.056	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-93.4	119.1	172.6	-59.4	170.5	0	0	0	105.9	S311 C314 I315 L339 L340 Y351 F352	I309-S311 WeakPolarHBondContact CG2-O 3.48Å; I309-C314 HydrophobicContact CG2-CB 3.96Å; I309-I315 HydrophobicContact CG2-CG1 3.88Å; I309-L339 HydrophobicContact CD1-CB 4.12Å; I309-L339 HydrophobicContact CD1-CD2 4.5Å; I309-L340 HydrophobicContact CB-CD2 4.44Å; I309-L340 HydrophobicContact CG2-CD2 4.13Å; I309-Y351 HydrophobicContact CD1-CD1 3.86Å; I309-Y351 HydrophobicContact CD1-CE1 3.57Å; I309-Y351 HydrophobicContact CG1-CE1 4.47Å; I309-F352 HydrophobicContact CD1-CE2 4.39Å; I309-F352 HydrophobicContact CD1-CZ 4.4Å; I309-F352 HydrophobicContact CG1-CE2 4.45Å; I309-F352 HydrophobicContact CG1-CZ 4.14Å
310	P	90.7	Very high	90.5	Very high	102 Å²	102	62.5 Å²	62.5	66%	0.662	34%	0.336	S	S	*	.			trans	-72.5	-31.2	-167.1	27.1	-34.8	0	0	0	113.5	C314	P310-C314 HydrophobicContact CG-CB 4.09Å
311	S	93.2	Very high	90.9	Very high	39 Å²	39	67 Å²	67	27%	0.273	35%	0.353	S	S	.	.	S	Bend	trans	-158.6	165.3	-177.6	72.1	0	0	0	0	111.4	I309 E313 C314 L340	I309-S311 WeakPolarHBondContact CG2-O 3.48Å; S311-E313 WeakPolarHBondContact CB-OE2 3.37Å; S311-E313 PolarHBondContact O-N 2.89Å; S311-E313 PolarHBondContact OG-OE2 3.14Å; S311-C314 WeakPolarHBondContact O-CB 3.1Å; S311-C314 PolarHBondContact O-N 2.8Å; S311-C314 VanDerWaalsContact O-N 3.12Å; S311-L340 VanDerWaalsContact C-CD2 3.43Å
312	E	94.2	Very high	91.3	Very high	88 Å²	88	64.6 Å²	64.6	41%	0.411	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-61.2	-32.7	-178.3	-175.4	174.8	170.6	0	0	112	C314 I315 K332 V336 L340	E312-C314 PolarHBondContact O-N 2.76Å; E312-C314 VanDerWaalsContact O-N 3.15Å; E312-I315 HydrophobicContact CG-CD1 4.31Å; E312-I315 VanDerWaalsContact O-CB 3.31Å; E312-I315 WeakPolarHBondContact O-CB 3.45Å; E312-I315 PolarHBondContact O-N 3.27Å; E312-K332 IonicContact OE1-NZ 2.96Å; E312-V336 HydrophobicContact CB-CG1 4.3Å; E312-V336 HydrophobicContact CG-CG1 3.84Å; E312-L340 HydrophobicContact CB-CD1 4.39Å
313	E	93.8	Very high	91.8	Very high	153 Å²	153	56.4 Å²	56.4	72%	0.715	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-65.9	-18.5	179.3	-53.6	76.4	-163	0	0	113	S311	S311-E313 WeakPolarHBondContact CB-OE2 3.37Å; S311-E313 PolarHBondContact O-N 2.89Å; S311-E313 PolarHBondContact OG-OE2 3.14Å
314	C	94.2	Very high	92.3	Very high	52 Å²	52	55.2 Å²	55.2	35%	0.351	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-87.3	-5.4	175.6	-67	0	0	0	0	113.1	I309 P310 S311 E312	I309-C314 HydrophobicContact CG2-CB 3.96Å; P310-C314 HydrophobicContact CG-CB 4.09Å; S311-C314 WeakPolarHBondContact O-CB 3.1Å; S311-C314 PolarHBondContact O-N 2.8Å; S311-C314 VanDerWaalsContact O-N 3.12Å; E312-C314 PolarHBondContact O-N 2.76Å; E312-C314 VanDerWaalsContact O-N 3.15Å
315	I	95	Very high	92.7	Very high	11 Å²	11	54.3 Å²	54.3	6%	0.056	29%	0.289	C	S	.	.	S	Bend	trans	-77.3	127.4	176.2	-61	175.7	0	0	0	108.9	I309 E312 V317 L320 V336 L339 L340 Y351	I309-I315 HydrophobicContact CG2-CG1 3.88Å; E312-I315 HydrophobicContact CG-CD1 4.31Å; E312-I315 VanDerWaalsContact O-CB 3.31Å; E312-I315 WeakPolarHBondContact O-CB 3.45Å; E312-I315 PolarHBondContact O-N 3.27Å; I315-V317 PolarHBondContact O-N 2.77Å; I315-L320 HydrophobicContact CG2-CB 4.04Å; I315-L320 HydrophobicContact CG2-CD2 4.24Å; I315-V336 HydrophobicContact CD1-CB 4.4Å; I315-V336 HydrophobicContact CD1-CG1 3.95Å; I315-V336 HydrophobicContact CD1-CG2 4.2Å; I315-L339 HydrophobicContact CD1-CB 4.06Å; I315-L339 HydrophobicContact CD1-CD1 4.1Å; I315-L339 HydrophobicContact CG2-CD1 3.98Å; I315-L340 HydrophobicContact CD1-CD2 4.26Å; I315-L340 HydrophobicContact CD1-CG 4.42Å; I315-Y351 HydrophobicContact CG2-CE2 3.85Å
316	D	93.5	Very high	93	Very high	22 Å²	22	47.6 Å²	47.6	12%	0.118	26%	0.258	C	S	.	.			trans	-69.2	115.3	177.2	-170.7	-67.8	0	0	0	110.7	D318 V319 L320 Y351 L355 K358	D316-D318 VanDerWaalsContact C-N 3.29Å; D316-D318 PolarHBondContact O-N 3.4Å; D316-D318 PolarHBondContact OD1-N 2.94Å; D316-D318 VanDerWaalsContact OD1-N 3.13Å; D316-V319 HydrophobicContact CB-CB 4Å; D316-V319 HydrophobicContact CB-CG2 3.91Å; D316-V319 PolarHBondContact O-N 2.79Å; D316-V319 PolarHBondContact OD1-N 2.88Å; D316-V319 VanDerWaalsContact OD1-N 3.14Å; D316-L320 WeakPolarHBondContact O-CB 3.44Å; D316-L320 PolarHBondContact O-N 2.58Å; D316-Y351 HydrophobicContact CB-CE2 4.3Å; D316-Y351 PolarHBondContact N-OH 3.34Å; D316-L355 HydrophobicContact CB-CD1 3.91Å; D316-K358 IonicContact OD1-NZ 2.74Å; D316-K358 PolarHBondContact OD1-NZ 2.99Å; D316-K358 WeakPolarHBondContact OD2-CD 2.92Å; D316-K358 WeakPolarHBondContact OD2-CE 2.95Å; D316-K358 IonicContact OD2-NZ 3.28Å; D316-K358 PolarHBondContact OD2-NZ 2.65Å
317	V	91.8	Very high	93	Very high	103 Å²	103	48.9 Å²	48.9	62%	0.624	27%	0.268	S	S	*	.	H	α-helix	trans	-59.7	-37.8	-173.1	179.4	0	0	0	0	112.2	I315 R321	I315-V317 PolarHBondContact O-N 2.77Å; V317-R321 PolarHBondContact O-N 2.74Å
318	D	89.5	Confident	92.9	Very high	15 Å²	15	46.7 Å²	46.7	8%	0.08	26%	0.26	C	S	.	.	H	α-helix	trans	-74.7	-39.9	-179.7	-59.4	-67.8	0	0	0	111.5	D316 L320 R321 H322 K358 E387 Q388	D316-D318 VanDerWaalsContact C-N 3.29Å; D316-D318 PolarHBondContact O-N 3.4Å; D316-D318 PolarHBondContact OD1-N 2.94Å; D316-D318 VanDerWaalsContact OD1-N 3.13Å; D318-L320 VanDerWaalsContact C-N 3.31Å; D318-L320 PolarHBondContact O-N 2.84Å; D318-R321 WeakPolarHBondContact O-CB 3.47Å; D318-R321 PolarHBondContact O-N 2.71Å; D318-R321 IonicContact OD1-NH2 2.6Å; D318-R321 PolarHBondContact OD1-NH2 2.8Å; D318-H322 PolarHBondContact O-CE1 2.74Å; D318-H322 PolarHBondContact O-N 2.87Å; D318-H322 VanDerWaalsContact O-N 3.08Å; D318-H322 PolarHBondContact O-ND1 2.8Å; D318-K358 IonicContact OD2-NZ 3.47Å; D318-K358 PolarHBondContact OD2-NZ 3.14Å; D318-E387 HydrophobicContact CB-CB 4.24Å; D318-E387 WeakPolarHBondContact CB-OE2 3.4Å; D318-E387 WeakPolarHBondContact OD2-CA 3.38Å; D318-Q388 PolarHBondContact OD2-N 2.68Å
319	V	93.8	Very high	92.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.1	-44.5	173.9	176.8	0	0	0	0	110.2	D316 R321 H322 M323 Y351 L354 L355 K358	D316-V319 HydrophobicContact CB-CB 4Å; D316-V319 HydrophobicContact CB-CG2 3.91Å; D316-V319 PolarHBondContact O-N 2.79Å; D316-V319 PolarHBondContact OD1-N 2.88Å; D316-V319 VanDerWaalsContact OD1-N 3.14Å; V319-R321 VanDerWaalsContact C-N 3.32Å; V319-R321 PolarHBondContact O-N 3.01Å; V319-H322 WeakPolarHBondContact O-CB 3.43Å; V319-H322 PolarHBondContact O-N 3.36Å; V319-H322 VanDerWaalsContact O-N 3.11Å; V319-M323 WeakPolarHBondContact O-CG 3.44Å; V319-M323 PolarHBondContact O-N 2.89Å; V319-Y351 HydrophobicContact CB-CD2 4.14Å; V319-Y351 HydrophobicContact CB-CE2 3.93Å; V319-Y351 HydrophobicContact CG1-CD2 3.33Å; V319-Y351 HydrophobicContact CG1-CE2 3.63Å; V319-Y351 HydrophobicContact CG1-CG 4.06Å; V319-L354 HydrophobicContact CG1-CB 3.63Å; V319-L354 HydrophobicContact CG1-CD1 4.17Å; V319-L354 HydrophobicContact CG2-CB 4.43Å; V319-L355 HydrophobicContact CG2-CB 4.35Å; V319-L355 HydrophobicContact CG2-CD1 3.99Å; V319-K358 HydrophobicContact CG2-CD 4.11Å
320	L	95.3	Very high	92.6	Very high	16 Å²	16	45.2 Å²	45.2	8%	0.084	26%	0.262	C	S	.	.	H	α-helix	trans	-58.9	-42.7	176	-178.5	60.8	0	0	0	111.6	I315 D316 D318 H322 M323 I324 K332 I335 V336 L339	I315-L320 HydrophobicContact CG2-CB 4.04Å; I315-L320 HydrophobicContact CG2-CD2 4.24Å; D316-L320 WeakPolarHBondContact O-CB 3.44Å; D316-L320 PolarHBondContact O-N 2.58Å; D318-L320 VanDerWaalsContact C-N 3.31Å; D318-L320 PolarHBondContact O-N 2.84Å; L320-H322 VanDerWaalsContact C-N 3.32Å; L320-H322 PolarHBondContact O-N 2.88Å; L320-M323 WeakPolarHBondContact O-CB 3.42Å; L320-M323 PolarHBondContact O-N 3.31Å; L320-M323 VanDerWaalsContact O-N 3.12Å; L320-I324 HydrophobicContact CG-CD1 4.14Å; L320-I324 WeakPolarHBondContact O-CG1 3.47Å; L320-I324 PolarHBondContact O-N 3.45Å; L320-K332 HydrophobicContact CD2-CG 4.43Å; L320-I335 HydrophobicContact CD1-CB 4.27Å; L320-I335 HydrophobicContact CD1-CG2 3.56Å; L320-V336 HydrophobicContact CD1-CG2 4.37Å; L320-V336 HydrophobicContact CD2-CG2 4.14Å; L320-L339 HydrophobicContact CD1-CD1 4.35Å
321	R	93.1	Very high	92.7	Very high	102 Å²	102	45.2 Å²	45.2	39%	0.385	26%	0.256	S	S	.	.	H	α-helix	trans	-58.4	-43	174.5	-177.2	-178.1	61	-177.3	-12	112.2	V317 D318 V319 M323 I324 S325	V317-R321 PolarHBondContact O-N 2.74Å; D318-R321 WeakPolarHBondContact O-CB 3.47Å; D318-R321 PolarHBondContact O-N 2.71Å; D318-R321 IonicContact OD1-NH2 2.6Å; D318-R321 PolarHBondContact OD1-NH2 2.8Å; V319-R321 VanDerWaalsContact C-N 3.32Å; V319-R321 PolarHBondContact O-N 3.01Å; R321-M323 VanDerWaalsContact C-N 3.34Å; R321-I324 PolarHBondContact O-N 3.5Å; R321-S325 PolarHBondContact O-N 2.66Å
322	H	93.6	Very high	92.7	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.014	26%	0.263	C	S	.	.	H	α-helix	trans	-64.1	-40.4	175.4	-65.4	105.1	0	0	0	111.4	A84 K87 D318 V319 L320 I324 S325 L326 L354 E387	A84-H322 HydrophobicContact CB-CB 4.06Å; K87-H322 PolarHBondContact NZ-CE1 2.72Å; K87-H322 PolarHBondContact NZ-NE2 3.46Å; D318-H322 PolarHBondContact O-CE1 2.74Å; D318-H322 PolarHBondContact O-N 2.87Å; D318-H322 VanDerWaalsContact O-N 3.08Å; D318-H322 PolarHBondContact O-ND1 2.8Å; V319-H322 WeakPolarHBondContact O-CB 3.43Å; V319-H322 PolarHBondContact O-N 3.36Å; V319-H322 VanDerWaalsContact O-N 3.11Å; L320-H322 VanDerWaalsContact C-N 3.32Å; L320-H322 PolarHBondContact O-N 2.88Å; H322-I324 PolarHBondContact O-N 3.03Å; H322-S325 PolarHBondContact O-N 3.4Å; H322-S325 VanDerWaalsContact O-N 3.17Å; H322-S325 PolarHBondContact O-OG 3.08Å; H322-L326 PolarHBondContact O-N 3.4Å; H322-L354 HydrophobicContact CB-CD1 3.94Å; H322-E387 IonicContact CE1-OE1 3.89Å; H322-E387 PolarHBondContact CE1-OE1 3.06Å; H322-E387 VanDerWaalsContact CE1-OE1 3.31Å; H322-E387 IonicContact CE1-OE2 3.82Å; H322-E387 PolarHBondContact CE1-OE2 2.83Å; H322-E387 IonicContact ND1-OE2 3.86Å; H322-E387 IonicContact NE2-OE1 2.9Å
323	M	95.4	Very high	92.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-42.4	175.8	-68	-174.7	72.8	0	0	112.5	V319 L320 R321 S325 L326 F329 I335 L339 E347 V350 Y351 L354	V319-M323 WeakPolarHBondContact O-CG 3.44Å; V319-M323 PolarHBondContact O-N 2.89Å; L320-M323 WeakPolarHBondContact O-CB 3.42Å; L320-M323 PolarHBondContact O-N 3.31Å; L320-M323 VanDerWaalsContact O-N 3.12Å; R321-M323 VanDerWaalsContact C-N 3.34Å; M323-S325 VanDerWaalsContact C-N 3.31Å; M323-S325 PolarHBondContact O-N 3.11Å; M323-L326 WeakPolarHBondContact O-CB 3.44Å; M323-L326 PolarHBondContact O-N 3.27Å; M323-F329 HydrophobicContact CE-CD2 4.29Å; M323-F329 HydrophobicContact CE-CE2 4.4Å; M323-I335 HydrophobicContact CB-CD1 4.42Å; M323-I335 HydrophobicContact CB-CG2 4.31Å; M323-I335 HydrophobicContact CE-CG2 3.76Å; M323-I335 HydrophobicContact SD-CG2 4.1Å; M323-L339 HydrophobicContact CE-CD2 4.13Å; M323-L339 HydrophobicContact SD-CD1 4.06Å; M323-L339 HydrophobicContact SD-CD2 4.24Å; M323-E347 HydrophobicContact CE-CB 3.99Å; M323-E347 WeakPolarHBondContact CE-O 3.45Å; M323-V350 HydrophobicContact CE-CB 4.45Å; M323-V350 HydrophobicContact CE-CG1 4.27Å; M323-V350 HydrophobicContact CG-CG1 4.08Å; M323-Y351 HydrophobicContact SD-CD2 3.85Å; M323-Y351 HydrophobicContact SD-CG 4.25Å; M323-L354 HydrophobicContact CG-CD1 3.91Å
324	I	94.7	Very high	92.9	Very high	68 Å²	68	43.2 Å²	43.2	35%	0.349	25%	0.249	S	C	.	.	H	α-helix	trans	-60.8	-41.7	174.6	-65.6	163.9	0	0	0	110.6	L320 R321 H322 L326 S327 K332 I335	L320-I324 HydrophobicContact CG-CD1 4.14Å; L320-I324 WeakPolarHBondContact O-CG1 3.47Å; L320-I324 PolarHBondContact O-N 3.45Å; R321-I324 PolarHBondContact O-N 3.5Å; H322-I324 PolarHBondContact O-N 3.03Å; I324-L326 PolarHBondContact O-N 3Å; I324-S327 PolarHBondContact O-N 2.76Å; I324-S327 PolarHBondContact O-OG 3.31Å; I324-K332 HydrophobicContact CD1-CB 4.15Å; I324-K332 HydrophobicContact CD1-CG 4.05Å; I324-I335 HydrophobicContact CG1-CD1 3.84Å
325	S	93.7	Very high	93	Very high	12 Å²	12	40.8 Å²	40.8	8%	0.084	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-22	179.6	76.3	0	0	0	0	114.3	R81 A84 R321 H322 M323 S327	R81-S325 WeakPolarHBondContact CB-O 3.46Å; R81-S325 PolarHBondContact NE-O 3.34Å; A84-S325 WeakPolarHBondContact CB-OG 3.49Å; R321-S325 PolarHBondContact O-N 2.66Å; H322-S325 PolarHBondContact O-N 3.4Å; H322-S325 VanDerWaalsContact O-N 3.17Å; H322-S325 PolarHBondContact O-OG 3.08Å; M323-S325 VanDerWaalsContact C-N 3.31Å; M323-S325 PolarHBondContact O-N 3.11Å; S325-S327 PolarHBondContact O-N 2.96Å; S325-S327 PolarHBondContact O-OG 2.88Å
326	L	93.5	Very high	93.1	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-28.1	172.7	-64.1	171.1	0	0	0	111.8	R81 A84 I85 L88 H322 M323 I324 C328 F329 V350	R81-L326 PolarHBondContact NE-O 3.09Å; A84-L326 HydrophobicContact CB-CD2 3.74Å; A84-L326 HydrophobicContact CB-CG 4.14Å; I85-L326 HydrophobicContact CG1-CD2 3.7Å; L88-L326 HydrophobicContact CD1-CD1 4.12Å; L88-L326 HydrophobicContact CD1-CD2 4.33Å; H322-L326 PolarHBondContact O-N 3.4Å; M323-L326 WeakPolarHBondContact O-CB 3.44Å; M323-L326 PolarHBondContact O-N 3.27Å; I324-L326 PolarHBondContact O-N 3Å; L326-C328 PolarHBondContact O-N 3.5Å; L326-C328 VanDerWaalsContact O-N 3.16Å; L326-F329 HydrophobicContact CD1-CE2 3.97Å; L326-V350 HydrophobicContact CD1-CG1 3.71Å
327	S	89.2	Confident	93.3	Very high	56 Å²	56	45.9 Å²	45.9	39%	0.392	26%	0.256	S	S	.	.			trans	55.8	26	175.7	-40.4	0	0	0	0	115.1	R81 I324 S325	R81-S327 PolarHBondContact NH2-OG 3.33Å; I324-S327 PolarHBondContact O-N 2.76Å; I324-S327 PolarHBondContact O-OG 3.31Å; S325-S327 PolarHBondContact O-N 2.96Å; S325-S327 PolarHBondContact O-OG 2.88Å
328	C	87.9	Confident	93.5	Very high	37 Å²	37	43.8 Å²	43.8	25%	0.25	24%	0.239	C	C	.	.			trans	-114.5	-5.3	-179.1	61.7	0	0	0	0	113.9	L181 L326	L181-C328 HydrophobicContact CB-CB 4.45Å; L181-C328 VanDerWaalsContact CD2-SG 3.55Å; L326-C328 PolarHBondContact O-N 3.5Å; L326-C328 VanDerWaalsContact O-N 3.16Å
329	F	89.8	Confident	93.8	Very high	10 Å²	10	43 Å²	43	4%	0.044	24%	0.235	C	C	.	.	S	Bend	trans	-112	18.7	-174.1	-62.9	-56.6	0	0	0	113.5	L181 V183 M323 L326 I335 T346 E347 V350	L181-F329 HydrophobicContact CD2-CE1 3.93Å; L181-F329 HydrophobicContact CD2-CE2 4.17Å; L181-F329 HydrophobicContact CD2-CZ 3.45Å; L181-F329 VanDerWaalsContact CD2-CZ 3.45Å; V183-F329 HydrophobicContact CG2-CD1 4.43Å; V183-F329 HydrophobicContact CG2-CE1 4.13Å; M323-F329 HydrophobicContact CE-CD2 4.29Å; M323-F329 HydrophobicContact CE-CE2 4.4Å; L326-F329 HydrophobicContact CD1-CE2 3.97Å; F329-I335 HydrophobicContact CB-CD1 4.14Å; F329-I335 HydrophobicContact CB-CG1 3.65Å; F329-T346 HydrophobicContact CE1-CG2 3.89Å; F329-T346 HydrophobicContact CZ-CG2 4.08Å; F329-E347 HydrophobicContact CB-CG 4.27Å; F329-E347 HydrophobicContact CD1-CG 3.62Å; F329-E347 WeakPolarHBondContact CD1-OE1 3.3Å; F329-E347 HydrophobicContact CE1-CG 4.04Å; F329-E347 HydrophobicContact CG-CG 3.95Å; F329-V350 HydrophobicContact CE2-CB 4.21Å; F329-V350 HydrophobicContact CE2-CG1 4.05Å; F329-V350 HydrophobicContact CE2-CG2 4.07Å; F329-V350 HydrophobicContact CZ-CB 4.28Å; F329-V350 HydrophobicContact CZ-CG2 3.77Å
330	G	89	Confident	94	Very high	57 Å²	57	45.8 Å²	45.8	59%	0.588	25%	0.25	S	C	*	.			trans	78.8	-154	-174.6	0	0	0	0	0	113.1
331	D	92.6	Very high	93.9	Very high	101 Å²	101	47.8 Å²	47.8	54%	0.54	26%	0.26	S	S	.	.	S	Bend	trans	-79.9	175.8	178.4	61.9	24	0	0	0	112.4	D333 S334 I335	D331-D333 VanDerWaalsContact C-N 3.26Å; D331-D333 PolarHBondContact O-N 3.41Å; D331-D333 PolarHBondContact OD1-N 3.47Å; D331-S334 PolarHBondContact O-N 3.42Å; D331-S334 VanDerWaalsContact OD1-CB 3.27Å; D331-S334 WeakPolarHBondContact OD1-CB 3.4Å; D331-S334 PolarHBondContact OD1-N 3.28Å; D331-I335 WeakPolarHBondContact O-CG1 3.2Å; D331-I335 PolarHBondContact O-N 2.79Å; D331-I335 VanDerWaalsContact O-N 3.14Å
332	K	94.3	Very high	93.8	Very high	95 Å²	95	48 Å²	48	41%	0.413	27%	0.273	S	S	.	.	H	α-helix	trans	-56.3	-42.1	-179.9	179.9	-172.4	173.2	-138.4	0	111.6	E312 L320 I324 I335 V336	E312-K332 IonicContact OE1-NZ 2.96Å; L320-K332 HydrophobicContact CD2-CG 4.43Å; I324-K332 HydrophobicContact CD1-CB 4.15Å; I324-K332 HydrophobicContact CD1-CG 4.05Å; K332-I335 PolarHBondContact O-N 3.34Å; K332-V336 HydrophobicContact CG-CG2 4.45Å; K332-V336 WeakPolarHBondContact O-CG2 3.37Å; K332-V336 PolarHBondContact O-N 2.9Å
333	D	95.9	Very high	93.8	Very high	101 Å²	101	55.2 Å²	55.2	54%	0.54	30%	0.304	S	S	.	.	H	α-helix	trans	-70.8	-39.4	-173.5	-62.6	-25.2	0	0	0	110.8	D331 I335 V336 Q337	D331-D333 VanDerWaalsContact C-N 3.26Å; D331-D333 PolarHBondContact O-N 3.41Å; D331-D333 PolarHBondContact OD1-N 3.47Å; D333-I335 PolarHBondContact O-N 3.41Å; D333-V336 PolarHBondContact O-N 2.73Å; D333-Q337 WeakPolarHBondContact O-CB 3.46Å; D333-Q337 VanDerWaalsContact O-CG 3.28Å; D333-Q337 WeakPolarHBondContact O-CG 3.22Å; D333-Q337 PolarHBondContact O-N 2.69Å
334	S	95.5	Very high	93.6	Very high	42 Å²	42	59.1 Å²	59.1	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-59.3	-45.2	171.8	-165.8	0	0	0	0	111.7	D331 Q337 Q338	D331-S334 PolarHBondContact O-N 3.42Å; D331-S334 VanDerWaalsContact OD1-CB 3.27Å; D331-S334 WeakPolarHBondContact OD1-CB 3.4Å; D331-S334 PolarHBondContact OD1-N 3.28Å; S334-Q337 PolarHBondContact O-N 3.38Å; S334-Q338 WeakPolarHBondContact O-CG 3.36Å; S334-Q338 PolarHBondContact O-N 2.94Å
335	I	96.3	Very high	93.5	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-60.3	-50	176.4	-64.4	165.6	0	0	0	110.3	L320 M323 I324 F329 D331 K332 D333 Q337 Q338 L339	L320-I335 HydrophobicContact CD1-CB 4.27Å; L320-I335 HydrophobicContact CD1-CG2 3.56Å; M323-I335 HydrophobicContact CB-CD1 4.42Å; M323-I335 HydrophobicContact CB-CG2 4.31Å; M323-I335 HydrophobicContact CE-CG2 3.76Å; M323-I335 HydrophobicContact SD-CG2 4.1Å; I324-I335 HydrophobicContact CG1-CD1 3.84Å; F329-I335 HydrophobicContact CB-CD1 4.14Å; F329-I335 HydrophobicContact CB-CG1 3.65Å; D331-I335 WeakPolarHBondContact O-CG1 3.2Å; D331-I335 PolarHBondContact O-N 2.79Å; D331-I335 VanDerWaalsContact O-N 3.14Å; K332-I335 PolarHBondContact O-N 3.34Å; D333-I335 PolarHBondContact O-N 3.41Å; I335-Q337 VanDerWaalsContact C-N 3.35Å; I335-Q337 PolarHBondContact O-N 3.14Å; I335-Q338 PolarHBondContact O-N 2.82Å; I335-L339 HydrophobicContact CG2-CD1 3.92Å; I335-L339 HydrophobicContact CG2-CG 4.22Å; I335-L339 VanDerWaalsContact O-CG 3.28Å; I335-L339 WeakPolarHBondContact O-CG 3.34Å; I335-L339 PolarHBondContact O-N 3.26Å
336	V	97.3	Very high	93.5	Very high	8 Å²	8	57.4 Å²	57.4	5%	0.048	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-45.7	179.8	170.1	0	0	0	0	110.9	E312 I315 L320 K332 D333 Q338 L339 L340	E312-V336 HydrophobicContact CB-CG1 4.3Å; E312-V336 HydrophobicContact CG-CG1 3.84Å; I315-V336 HydrophobicContact CD1-CB 4.4Å; I315-V336 HydrophobicContact CD1-CG1 3.95Å; I315-V336 HydrophobicContact CD1-CG2 4.2Å; L320-V336 HydrophobicContact CD1-CG2 4.37Å; L320-V336 HydrophobicContact CD2-CG2 4.14Å; K332-V336 HydrophobicContact CG-CG2 4.45Å; K332-V336 WeakPolarHBondContact O-CG2 3.37Å; K332-V336 PolarHBondContact O-N 2.9Å; D333-V336 PolarHBondContact O-N 2.73Å; V336-Q338 VanDerWaalsContact C-N 3.33Å; V336-Q338 PolarHBondContact O-N 3.01Å; V336-L339 PolarHBondContact O-N 3.41Å; V336-L339 VanDerWaalsContact O-N 3.14Å; V336-L340 HydrophobicContact CG1-CD1 3.85Å; V336-L340 HydrophobicContact CG1-CG 4.28Å; V336-L340 WeakPolarHBondContact O-CG 3.43Å; V336-L340 PolarHBondContact O-N 3.44Å
337	Q	96.7	Very high	93.5	Very high	132 Å²	132	58.7 Å²	58.7	62%	0.617	32%	0.32	S	S	*	.	H	α-helix	trans	-57.9	-43.4	176.1	-74.6	178.1	1.9	0	0	112.2	D333 S334 I335 L340 N341	D333-Q337 WeakPolarHBondContact O-CB 3.46Å; D333-Q337 VanDerWaalsContact O-CG 3.28Å; D333-Q337 WeakPolarHBondContact O-CG 3.22Å; D333-Q337 PolarHBondContact O-N 2.69Å; S334-Q337 PolarHBondContact O-N 3.38Å; I335-Q337 VanDerWaalsContact C-N 3.35Å; I335-Q337 PolarHBondContact O-N 3.14Å; Q337-L340 PolarHBondContact O-N 2.58Å; Q337-N341 PolarHBondContact O-N 3.34Å
338	Q	96.1	Very high	93.8	Very high	59 Å²	59	56 Å²	56	28%	0.276	30%	0.301	S	S	.	.	H	α-helix	trans	-68.8	-32.8	177	-67.4	-57.2	-27.5	0	0	112.9	S334 I335 V336 N341 N345 E347	S334-Q338 WeakPolarHBondContact O-CG 3.36Å; S334-Q338 PolarHBondContact O-N 2.94Å; I335-Q338 PolarHBondContact O-N 2.82Å; V336-Q338 VanDerWaalsContact C-N 3.33Å; V336-Q338 PolarHBondContact O-N 3.01Å; Q338-N341 WeakPolarHBondContact O-CB 3.48Å; Q338-N345 PolarHBondContact O-ND2 2.74Å; Q338-N345 PolarHBondContact OE1-ND2 2.87Å; Q338-N345 VanDerWaalsContact OE1-ND2 3.08Å; Q338-E347 HydrophobicContact CB-CB 3.81Å; Q338-E347 HydrophobicContact CB-CG 3.68Å; Q338-E347 HydrophobicContact CG-CG 4.04Å
339	L	97	Very high	94.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-70.2	-35.9	175.4	-69.5	-179.3	0	0	0	112.7	I309 I315 L320 M323 I335 V336 E347 K348 Y351	I309-L339 HydrophobicContact CD1-CB 4.12Å; I309-L339 HydrophobicContact CD1-CD2 4.5Å; I315-L339 HydrophobicContact CD1-CB 4.06Å; I315-L339 HydrophobicContact CD1-CD1 4.1Å; I315-L339 HydrophobicContact CG2-CD1 3.98Å; L320-L339 HydrophobicContact CD1-CD1 4.35Å; M323-L339 HydrophobicContact CE-CD2 4.13Å; M323-L339 HydrophobicContact SD-CD1 4.06Å; M323-L339 HydrophobicContact SD-CD2 4.24Å; I335-L339 HydrophobicContact CG2-CD1 3.92Å; I335-L339 HydrophobicContact CG2-CG 4.22Å; I335-L339 VanDerWaalsContact O-CG 3.28Å; I335-L339 WeakPolarHBondContact O-CG 3.34Å; I335-L339 PolarHBondContact O-N 3.26Å; V336-L339 PolarHBondContact O-N 3.41Å; V336-L339 VanDerWaalsContact O-N 3.14Å; L339-E347 HydrophobicContact CD2-CB 4.43Å; L339-K348 HydrophobicContact CD2-CG 4.11Å; L339-K348 WeakPolarHBondContact O-CE 3.37Å; L339-Y351 HydrophobicContact CD1-CD2 3.82Å; L339-Y351 HydrophobicContact CD1-CE2 4.33Å; L339-Y351 HydrophobicContact CD1-CG 4.33Å; L339-Y351 VanDerWaalsContact CD2-CB 3.48Å; L339-Y351 HydrophobicContact CD2-CD1 4.45Å; L339-Y351 HydrophobicContact CD2-CD2 4.12Å; L339-Y351 HydrophobicContact CD2-CG 3.78Å
340	L	96.7	Very high	94.3	Very high	58 Å²	58	53.9 Å²	53.9	30%	0.304	29%	0.288	S	S	.	.	H	α-helix	trans	-80.3	-19.7	177	-63.5	179.2	0	0	0	113.4	I309 S311 E312 I315 V336 Q337 T342	I309-L340 HydrophobicContact CB-CD2 4.44Å; I309-L340 HydrophobicContact CG2-CD2 4.13Å; S311-L340 VanDerWaalsContact C-CD2 3.43Å; E312-L340 HydrophobicContact CB-CD1 4.39Å; I315-L340 HydrophobicContact CD1-CD2 4.26Å; I315-L340 HydrophobicContact CD1-CG 4.42Å; V336-L340 HydrophobicContact CG1-CD1 3.85Å; V336-L340 HydrophobicContact CG1-CG 4.28Å; V336-L340 WeakPolarHBondContact O-CG 3.43Å; V336-L340 PolarHBondContact O-N 3.44Å; Q337-L340 PolarHBondContact O-N 2.58Å; L340-T342 PolarHBondContact O-N 3.39Å
341	N	94.5	Very high	94.7	Very high	57 Å²	57	51.4 Å²	51.4	31%	0.305	26%	0.261	S	S	.	.	S	Bend	trans	-52.9	136.8	173.9	-168.6	-41	0	0	0	110.1	Q337 Q338 K343 K348	Q337-N341 PolarHBondContact O-N 3.34Å; Q338-N341 WeakPolarHBondContact O-CB 3.48Å; N341-K343 VanDerWaalsContact C-N 3.28Å; N341-K343 PolarHBondContact O-N 3.4Å; N341-K343 WeakPolarHBondContact OD1-CB 3.02Å; N341-K343 PolarHBondContact OD1-N 3.36Å; N341-K348 WeakPolarHBondContact O-CE 3.23Å; N341-K348 PolarHBondContact O-NZ 2.87Å
342	T	90.9	Very high	94.8	Very high	107 Å²	107	48 Å²	48	66%	0.656	24%	0.241	S	C	*	.	S	Bend	trans	-71.5	-24.3	179.8	54	0	0	0	0	113.1	L340	L340-T342 PolarHBondContact O-N 3.39Å
343	K	93.8	Very high	94.7	Very high	154 Å²	154	44.7 Å²	44.7	67%	0.67	23%	0.229	S	C	*	.	S	Bend	trans	-72.3	156.9	-178	-62	-177.1	-179.4	178.8	0	111.9	N341 K348	N341-K343 VanDerWaalsContact C-N 3.28Å; N341-K343 PolarHBondContact O-N 3.4Å; N341-K343 WeakPolarHBondContact OD1-CB 3.02Å; N341-K343 PolarHBondContact OD1-N 3.36Å; K343-K348 WeakPolarHBondContact O-CD 3.46Å; K343-K348 PolarHBondContact O-NZ 3.38Å
344	H	90.7	Very high	94.6	Very high	83 Å²	83	40.1 Å²	40.1	38%	0.384	21%	0.205	S	C	.	.			trans	-77.5	127	170.9	-174.9	79	0	0	0	109.7	L301 V304 T306 V349	L301-H344 PolarHBondContact O-NE2 2.82Å; V304-H344 PolarHBondContact O-CE1 2.83Å; V304-H344 VanDerWaalsContact O-CE1 3.23Å; T306-H344 VanDerWaalsContact CG2-CE1 3.42Å; T306-H344 WeakPolarHBondContact CG2-CE1 3.45Å; T306-H344 VanDerWaalsContact CG2-ND1 3.31Å; T306-H344 WeakPolarHBondContact CG2-ND1 2.89Å; T306-H344 PolarHBondContact OG1-ND1 3.49Å; H344-V349 WeakPolarHBondContact CE1-CG2 3.42Å; H344-V349 WeakPolarHBondContact NE2-CG2 3.33Å
345	N	92.6	Very high	94.5	Very high	21 Å²	21	39.3 Å²	39.3	11%	0.112	20%	0.197	C	C	.	.			trans	-146.2	171.6	-179.1	60.1	22.8	0	0	0	111.2	Q338 E347 K348 V349	Q338-N345 PolarHBondContact O-ND2 2.74Å; Q338-N345 PolarHBondContact OE1-ND2 2.87Å; Q338-N345 VanDerWaalsContact OE1-ND2 3.08Å; N345-E347 VanDerWaalsContact C-N 3.34Å; N345-E347 PolarHBondContact O-N 2.87Å; N345-K348 PolarHBondContact O-N 2.89Å; N345-K348 VanDerWaalsContact OD1-CB 3.24Å; N345-K348 WeakPolarHBondContact OD1-CB 3.44Å; N345-K348 VanDerWaalsContact OD1-CG 3.25Å; N345-K348 WeakPolarHBondContact OD1-CG 3.07Å; N345-K348 PolarHBondContact OD1-N 3.22Å; N345-V349 WeakPolarHBondContact O-CG2 3.44Å; N345-V349 PolarHBondContact O-N 2.82Å; N345-V349 VanDerWaalsContact O-N 3.14Å
346	T	92.2	Very high	94.1	Very high	23 Å²	23	42.7 Å²	42.7	14%	0.141	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-39.3	-176.2	-54.6	0	0	0	0	112.3	F329 V349 V350	F329-T346 HydrophobicContact CE1-CG2 3.89Å; F329-T346 HydrophobicContact CZ-CG2 4.08Å; T346-V349 PolarHBondContact O-N 3.25Å; T346-V350 PolarHBondContact O-N 2.86Å
347	E	94.6	Very high	93.7	Very high	30 Å²	30	44.5 Å²	44.5	14%	0.14	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-49	179.8	-66.7	77	-174.7	0	0	110.6	M323 F329 Q338 L339 N345 V349 V350 Y351	M323-E347 HydrophobicContact CE-CB 3.99Å; M323-E347 WeakPolarHBondContact CE-O 3.45Å; F329-E347 HydrophobicContact CB-CG 4.27Å; F329-E347 HydrophobicContact CD1-CG 3.62Å; F329-E347 WeakPolarHBondContact CD1-OE1 3.3Å; F329-E347 HydrophobicContact CE1-CG 4.04Å; F329-E347 HydrophobicContact CG-CG 3.95Å; Q338-E347 HydrophobicContact CB-CB 3.81Å; Q338-E347 HydrophobicContact CB-CG 3.68Å; Q338-E347 HydrophobicContact CG-CG 4.04Å; L339-E347 HydrophobicContact CD2-CB 4.43Å; N345-E347 VanDerWaalsContact C-N 3.34Å; N345-E347 PolarHBondContact O-N 2.87Å; E347-V349 VanDerWaalsContact C-N 3.32Å; E347-V349 PolarHBondContact O-N 2.89Å; E347-V350 PolarHBondContact O-N 2.85Å; E347-Y351 WeakPolarHBondContact O-CB 3.33Å; E347-Y351 PolarHBondContact O-N 3.07Å
348	K	94.9	Very high	93.1	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-42.1	174.8	-79.5	-175.6	169.5	-168.4	0	112	T306 L307 L339 N341 K343 N345 V350 Y351 F352	T306-K348 HydrophobicContact CG2-CB 3.63Å; L307-K348 PolarHBondContact O-NZ 2.97Å; L339-K348 HydrophobicContact CD2-CG 4.11Å; L339-K348 WeakPolarHBondContact O-CE 3.37Å; N341-K348 WeakPolarHBondContact O-CE 3.23Å; N341-K348 PolarHBondContact O-NZ 2.87Å; K343-K348 WeakPolarHBondContact O-CD 3.46Å; K343-K348 PolarHBondContact O-NZ 3.38Å; N345-K348 PolarHBondContact O-N 2.89Å; N345-K348 VanDerWaalsContact OD1-CB 3.24Å; N345-K348 WeakPolarHBondContact OD1-CB 3.44Å; N345-K348 VanDerWaalsContact OD1-CG 3.25Å; N345-K348 WeakPolarHBondContact OD1-CG 3.07Å; N345-K348 PolarHBondContact OD1-N 3.22Å; K348-V350 VanDerWaalsContact C-N 3.34Å; K348-V350 PolarHBondContact O-N 3.26Å; K348-Y351 WeakPolarHBondContact O-CB 3.23Å; K348-Y351 PolarHBondContact O-N 3.4Å; K348-F352 HydrophobicContact CB-CD2 4.34Å; K348-F352 WeakPolarHBondContact O-CD2 3.2Å; K348-F352 PolarHBondContact O-N 2.71Å
349	V	94.5	Very high	92.4	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-60.3	-47.6	179.2	166.1	0	0	0	0	110.8	M300 L301 V304 T306 H344 N345 T346 E347 Y351 F352 V353	M300-V349 HydrophobicContact CB-CG1 4.09Å; M300-V349 HydrophobicContact CE-CG1 3.54Å; M300-V349 HydrophobicContact CG-CG1 3.38Å; M300-V349 HydrophobicContact SD-CG1 3.65Å; L301-V349 HydrophobicContact CD1-CG2 4Å; V304-V349 HydrophobicContact CB-CG1 3.83Å; V304-V349 HydrophobicContact CB-CG2 4.26Å; V304-V349 HydrophobicContact CG1-CB 4.48Å; V304-V349 HydrophobicContact CG1-CG1 4.1Å; V304-V349 HydrophobicContact CG1-CG2 4.35Å; V304-V349 HydrophobicContact CG2-CG1 4.03Å; T306-V349 HydrophobicContact CG2-CG2 3.69Å; H344-V349 WeakPolarHBondContact CE1-CG2 3.42Å; H344-V349 WeakPolarHBondContact NE2-CG2 3.33Å; N345-V349 WeakPolarHBondContact O-CG2 3.44Å; N345-V349 PolarHBondContact O-N 2.82Å; N345-V349 VanDerWaalsContact O-N 3.14Å; T346-V349 PolarHBondContact O-N 3.25Å; E347-V349 VanDerWaalsContact C-N 3.32Å; E347-V349 PolarHBondContact O-N 2.89Å; V349-Y351 VanDerWaalsContact C-N 3.35Å; V349-Y351 PolarHBondContact O-N 3.4Å; V349-F352 PolarHBondContact O-N 3.02Å; V349-V353 WeakPolarHBondContact O-CG2 3.15Å; V349-V353 PolarHBondContact O-N 3.29Å
350	V	95.2	Very high	91.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.2	-46.3	174.2	166.1	0	0	0	0	111	L88 L181 M300 M323 L326 F329 T346 E347 K348 F352 V353 L354	L88-V350 HydrophobicContact CD1-CG1 4.32Å; L88-V350 HydrophobicContact CD2-CG1 4.12Å; L181-V350 HydrophobicContact CD1-CG2 4.19Å; M300-V350 HydrophobicContact CE-CG2 3.91Å; M323-V350 HydrophobicContact CE-CB 4.45Å; M323-V350 HydrophobicContact CE-CG1 4.27Å; M323-V350 HydrophobicContact CG-CG1 4.08Å; L326-V350 HydrophobicContact CD1-CG1 3.71Å; F329-V350 HydrophobicContact CE2-CB 4.21Å; F329-V350 HydrophobicContact CE2-CG1 4.05Å; F329-V350 HydrophobicContact CE2-CG2 4.07Å; F329-V350 HydrophobicContact CZ-CB 4.28Å; F329-V350 HydrophobicContact CZ-CG2 3.77Å; T346-V350 PolarHBondContact O-N 2.86Å; E347-V350 PolarHBondContact O-N 2.85Å; K348-V350 VanDerWaalsContact C-N 3.34Å; K348-V350 PolarHBondContact O-N 3.26Å; V350-F352 PolarHBondContact O-N 2.9Å; V350-V353 PolarHBondContact O-N 3.27Å; V350-L354 HydrophobicContact CG1-CD1 3.83Å; V350-L354 HydrophobicContact CG1-CG 4.43Å; V350-L354 WeakPolarHBondContact O-CB 3.42Å; V350-L354 WeakPolarHBondContact O-CG 3.49Å; V350-L354 PolarHBondContact O-N 3.45Å
351	Y	96	Very high	89.2	Confident	6 Å²	6	52.3 Å²	52.3	2%	0.024	25%	0.246	C	C	.	.	H	α-helix	trans	-56.3	-52	177.3	177.1	-94.7	0	0	0	112.1	I309 I315 D316 V319 M323 L339 E347 K348 V349 V353 L354 L355	I309-Y351 HydrophobicContact CD1-CD1 3.86Å; I309-Y351 HydrophobicContact CD1-CE1 3.57Å; I309-Y351 HydrophobicContact CG1-CE1 4.47Å; I315-Y351 HydrophobicContact CG2-CE2 3.85Å; D316-Y351 HydrophobicContact CB-CE2 4.3Å; D316-Y351 PolarHBondContact N-OH 3.34Å; V319-Y351 HydrophobicContact CB-CD2 4.14Å; V319-Y351 HydrophobicContact CB-CE2 3.93Å; V319-Y351 HydrophobicContact CG1-CD2 3.33Å; V319-Y351 HydrophobicContact CG1-CE2 3.63Å; V319-Y351 HydrophobicContact CG1-CG 4.06Å; M323-Y351 HydrophobicContact SD-CD2 3.85Å; M323-Y351 HydrophobicContact SD-CG 4.25Å; L339-Y351 HydrophobicContact CD1-CD2 3.82Å; L339-Y351 HydrophobicContact CD1-CE2 4.33Å; L339-Y351 HydrophobicContact CD1-CG 4.33Å; L339-Y351 VanDerWaalsContact CD2-CB 3.48Å; L339-Y351 HydrophobicContact CD2-CD1 4.45Å; L339-Y351 HydrophobicContact CD2-CD2 4.12Å; L339-Y351 HydrophobicContact CD2-CG 3.78Å; E347-Y351 WeakPolarHBondContact O-CB 3.33Å; E347-Y351 PolarHBondContact O-N 3.07Å; K348-Y351 WeakPolarHBondContact O-CB 3.23Å; K348-Y351 PolarHBondContact O-N 3.4Å; V349-Y351 VanDerWaalsContact C-N 3.35Å; V349-Y351 PolarHBondContact O-N 3.4Å; Y351-V353 VanDerWaalsContact C-N 3.33Å; Y351-V353 PolarHBondContact O-N 2.61Å; Y351-L354 PolarHBondContact O-N 2.9Å; Y351-L355 HydrophobicContact CE1-CD2 3.85Å; Y351-L355 WeakPolarHBondContact O-CB 3.31Å; Y351-L355 PolarHBondContact O-N 3.42Å
352	F	94.8	Very high	87.1	Confident	28 Å²	28	52.4 Å²	52.4	12%	0.123	25%	0.25	C	C	.	.	H	α-helix	trans	-69.2	-29.7	-177.2	-81.2	-74.8	0	0	0	112.7	V304 T306 L307 I309 K348 V349 V350 L355 D356	V304-F352 HydrophobicContact CG1-CB 4.29Å; T306-F352 HydrophobicContact CG2-CD2 3.8Å; T306-F352 HydrophobicContact CG2-CE2 4.45Å; L307-F352 HydrophobicContact CB-CE1 3.96Å; L307-F352 HydrophobicContact CB-CE2 4.42Å; L307-F352 HydrophobicContact CB-CZ 3.61Å; L307-F352 HydrophobicContact CD1-CE1 4.24Å; L307-F352 HydrophobicContact CG-CE1 4.09Å; L307-F352 HydrophobicContact CG-CZ 4.23Å; L307-F352 VanDerWaalsContact N-CE2 3.25Å; L307-F352 VanDerWaalsContact N-CZ 3.27Å; L307-F352 WeakPolarHBondContact O-CE2 3.42Å; I309-F352 HydrophobicContact CD1-CE2 4.39Å; I309-F352 HydrophobicContact CD1-CZ 4.4Å; I309-F352 HydrophobicContact CG1-CE2 4.45Å; I309-F352 HydrophobicContact CG1-CZ 4.14Å; K348-F352 HydrophobicContact CB-CD2 4.34Å; K348-F352 WeakPolarHBondContact O-CD2 3.2Å; K348-F352 PolarHBondContact O-N 2.71Å; V349-F352 PolarHBondContact O-N 3.02Å; V350-F352 PolarHBondContact O-N 2.9Å; F352-L355 HydrophobicContact CD1-CD2 4.13Å; F352-L355 HydrophobicContact CE1-CD2 4.22Å; F352-D356 WeakPolarHBondContact O-CB 3.45Å; F352-D356 PolarHBondContact O-N 3.06Å
353	V	93.1	Very high	85	Confident	26 Å²	26	48.2 Å²	48.2	16%	0.158	23%	0.225	C	C	.	.	H	α-helix	trans	-69.1	-45.3	171.5	172.1	0	0	0	0	111.5	L88 M300 V304 V349 V350 Y351 L355 D356 R357	L88-V353 HydrophobicContact CD2-CB 4.04Å; L88-V353 HydrophobicContact CD2-CG1 3.73Å; M300-V353 HydrophobicContact CG-CG2 4.23Å; M300-V353 HydrophobicContact SD-CB 4.3Å; M300-V353 HydrophobicContact SD-CG2 3.63Å; V304-V353 HydrophobicContact CB-CG2 4.45Å; V304-V353 HydrophobicContact CG1-CG2 4.05Å; V304-V353 HydrophobicContact CG2-CG2 3.58Å; V349-V353 WeakPolarHBondContact O-CG2 3.15Å; V349-V353 PolarHBondContact O-N 3.29Å; V350-V353 PolarHBondContact O-N 3.27Å; Y351-V353 VanDerWaalsContact C-N 3.33Å; Y351-V353 PolarHBondContact O-N 2.61Å; V353-L355 VanDerWaalsContact C-N 3.3Å; V353-L355 PolarHBondContact O-N 2.63Å; V353-D356 PolarHBondContact O-N 3.4Å; V353-R357 WeakPolarHBondContact O-CB 3.31Å; V353-R357 PolarHBondContact O-N 3.4Å
354	L	93.3	Very high	82.5	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-37.3	175.3	-71.6	172.5	0	0	0	111.8	K87 L88 V319 H322 M323 V350 Y351 R357 K358	K87-L354 HydrophobicContact CB-CD2 3.75Å; L88-L354 HydrophobicContact CD2-CD1 4.43Å; L88-L354 HydrophobicContact CD2-CD2 3.79Å; L88-L354 HydrophobicContact CD2-CG 3.67Å; L88-L354 HydrophobicContact CG-CD2 3.93Å; L88-L354 HydrophobicContact CG-CG 4.3Å; V319-L354 HydrophobicContact CG1-CB 3.63Å; V319-L354 HydrophobicContact CG1-CD1 4.17Å; V319-L354 HydrophobicContact CG2-CB 4.43Å; H322-L354 HydrophobicContact CB-CD1 3.94Å; M323-L354 HydrophobicContact CG-CD1 3.91Å; V350-L354 HydrophobicContact CG1-CD1 3.83Å; V350-L354 HydrophobicContact CG1-CG 4.43Å; V350-L354 WeakPolarHBondContact O-CB 3.42Å; V350-L354 WeakPolarHBondContact O-CG 3.49Å; V350-L354 PolarHBondContact O-N 3.45Å; Y351-L354 PolarHBondContact O-N 2.9Å; L354-R357 WeakPolarHBondContact O-CB 3.26Å; L354-R357 PolarHBondContact O-N 3.29Å; L354-K358 WeakPolarHBondContact O-CB 2.98Å; L354-K358 PolarHBondContact O-N 3.21Å
355	L	92.7	Very high	80.3	Confident	24 Å²	24	49.5 Å²	49.5	13%	0.126	23%	0.233	C	C	.	.	H	α-helix	trans	-66.3	-46.6	176.4	-170.1	69.2	0	0	0	111.2	D316 V319 Y351 F352 V353 R357 K358 F359	D316-L355 HydrophobicContact CB-CD1 3.91Å; V319-L355 HydrophobicContact CG2-CB 4.35Å; V319-L355 HydrophobicContact CG2-CD1 3.99Å; Y351-L355 HydrophobicContact CE1-CD2 3.85Å; Y351-L355 WeakPolarHBondContact O-CB 3.31Å; Y351-L355 PolarHBondContact O-N 3.42Å; F352-L355 HydrophobicContact CD1-CD2 4.13Å; F352-L355 HydrophobicContact CE1-CD2 4.22Å; V353-L355 VanDerWaalsContact C-N 3.3Å; V353-L355 PolarHBondContact O-N 2.63Å; L355-R357 VanDerWaalsContact C-N 3.28Å; L355-R357 PolarHBondContact O-N 3.13Å; L355-K358 WeakPolarHBondContact O-CB 3.04Å; L355-K358 PolarHBondContact O-N 3.03Å; L355-K358 VanDerWaalsContact O-N 3.15Å; L355-F359 HydrophobicContact CD1-CD2 4.16Å; L355-F359 HydrophobicContact CD1-CE2 3.51Å; L355-F359 HydrophobicContact CD1-CZ 4.32Å; L355-F359 HydrophobicContact CD2-CE2 4.21Å; L355-F359 HydrophobicContact CG-CD2 3.9Å; L355-F359 HydrophobicContact CG-CE2 3.58Å; L355-F359 WeakPolarHBondContact O-CD2 3.04Å; L355-F359 PolarHBondContact O-N 3.01Å
356	D	89.1	Confident	77.9	Confident	72 Å²	72	55.2 Å²	55.2	39%	0.385	26%	0.259	S	S	.	.	H	α-helix	trans	-60.1	-40.6	173	-178.1	61.4	0	0	0	111	F352 V353 K358 F359 R360	F352-D356 WeakPolarHBondContact O-CB 3.45Å; F352-D356 PolarHBondContact O-N 3.06Å; V353-D356 PolarHBondContact O-N 3.4Å; D356-K358 VanDerWaalsContact C-N 3.34Å; D356-K358 PolarHBondContact O-N 2.76Å; D356-F359 PolarHBondContact O-N 3.21Å; D356-R360 WeakPolarHBondContact O-CG 3.46Å; D356-R360 PolarHBondContact O-N 3.15Å; D356-R360 IonicContact OD1-NE 2.89Å; D356-R360 IonicContact OD2-CZ 2.65Å; D356-R360 IonicContact OD2-NE 3.03Å; D356-R360 PolarHBondContact OD2-NE 2.88Å; D356-R360 IonicContact OD2-NH2 3.84Å; D356-R360 PolarHBondContact OD2-NH2 3.25Å
357	R	87.6	Confident	75.5	Confident	47 Å²	47	60.1 Å²	60.1	18%	0.177	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-40.1	174.2	-172.1	69.9	-179.8	145.5	0.1	112.4	K87 L97 V353 L354 L355	K87-R357 HydrophobicContact CB-CG 4.13Å; K87-R357 HydrophobicContact CG-CG 4.32Å; K87-R357 WeakPolarHBondContact O-CG 3.29Å; L97-R357 PolarHBondContact O-NH2 3.24Å; V353-R357 WeakPolarHBondContact O-CB 3.31Å; V353-R357 PolarHBondContact O-N 3.4Å; L354-R357 WeakPolarHBondContact O-CB 3.26Å; L354-R357 PolarHBondContact O-N 3.29Å; L355-R357 VanDerWaalsContact C-N 3.28Å; L355-R357 PolarHBondContact O-N 3.13Å
358	K	85.1	Confident	73	Confident	40 Å²	40	61.1 Å²	61.1	17%	0.174	30%	0.298	C	S	.	.	H	α-helix	trans	-63.6	-38.2	175.1	169.7	171.8	175.5	158.2	0	111.9	D316 D318 V319 L354 L355 D356 E387 Q388	D316-K358 IonicContact OD1-NZ 2.74Å; D316-K358 PolarHBondContact OD1-NZ 2.99Å; D316-K358 WeakPolarHBondContact OD2-CD 2.92Å; D316-K358 WeakPolarHBondContact OD2-CE 2.95Å; D316-K358 IonicContact OD2-NZ 3.28Å; D316-K358 PolarHBondContact OD2-NZ 2.65Å; D318-K358 IonicContact OD2-NZ 3.47Å; D318-K358 PolarHBondContact OD2-NZ 3.14Å; V319-K358 HydrophobicContact CG2-CD 4.11Å; L354-K358 WeakPolarHBondContact O-CB 2.98Å; L354-K358 PolarHBondContact O-N 3.21Å; L355-K358 WeakPolarHBondContact O-CB 3.04Å; L355-K358 PolarHBondContact O-N 3.03Å; L355-K358 VanDerWaalsContact O-N 3.15Å; D356-K358 VanDerWaalsContact C-N 3.34Å; D356-K358 PolarHBondContact O-N 2.76Å; K358-E387 HydrophobicContact CB-CG 4.48Å; K358-E387 HydrophobicContact CD-CB 3.38Å; K358-E387 HydrophobicContact CD-CG 3.98Å; K358-E387 HydrophobicContact CG-CB 3.65Å; K358-E387 HydrophobicContact CG-CG 3.88Å; K358-E387 VanDerWaalsContact NZ-CB 3.32Å; K358-Q388 PolarHBondContact NZ-O 3.22Å
359	F	80.3	Confident	70.5	Confident	130 Å²	130	65.5 Å²	65.5	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-84.9	-25.3	-179.4	-73.5	-62	0	0	0	114.7	L355 D356 K361	L355-F359 HydrophobicContact CD1-CD2 4.16Å; L355-F359 HydrophobicContact CD1-CE2 3.51Å; L355-F359 HydrophobicContact CD1-CZ 4.32Å; L355-F359 HydrophobicContact CD2-CE2 4.21Å; L355-F359 HydrophobicContact CG-CD2 3.9Å; L355-F359 HydrophobicContact CG-CE2 3.58Å; L355-F359 WeakPolarHBondContact O-CD2 3.04Å; L355-F359 PolarHBondContact O-N 3.01Å; D356-F359 PolarHBondContact O-N 3.21Å; F359-K361 PolarHBondContact O-N 3.43Å; F359-K361 VanDerWaalsContact O-N 3.14Å
360	R	72.5	Confident	68	Low	126 Å²	126	69.1 Å²	69.1	48%	0.475	36%	0.356	S	S	.	.	S	Bend	trans	-61.6	118.2	167.5	-75.1	-179.2	-166.5	-167	8.9	107.5	D356 P362	D356-R360 WeakPolarHBondContact O-CG 3.46Å; D356-R360 PolarHBondContact O-N 3.15Å; D356-R360 IonicContact OD1-NE 2.89Å; D356-R360 IonicContact OD2-CZ 2.65Å; D356-R360 IonicContact OD2-NE 3.03Å; D356-R360 PolarHBondContact OD2-NE 2.88Å; D356-R360 IonicContact OD2-NH2 3.84Å; D356-R360 PolarHBondContact OD2-NH2 3.25Å; R360-P362 WeakPolarHBondContact O-CD 3.42Å
361	K	55.1	Low	65.5	Low	117 Å²	117	72.6 Å²	72.6	51%	0.509	38%	0.38	S	S	.	.			trans	-77	99.7	161.9	-66.6	-172.4	173.4	-160.5	0	107.2	F359 S363 H364 D367	F359-K361 PolarHBondContact O-N 3.43Å; F359-K361 VanDerWaalsContact O-N 3.14Å; K361-S363 PolarHBondContact O-N 2.84Å; K361-H364 PolarHBondContact O-N 2.9Å; K361-D367 IonicContact NZ-OD2 3.96Å
362	P	51.1	Low	63.1	Low	58 Å²	58	73.3 Å²	73.3	38%	0.377	39%	0.385	S	S	.	.	S	Bend	trans	-58.5	-32.1	173.8	23	-32.2	0	0	0	110.7	Y98 R360 H364	Y98-P362 WeakPolarHBondContact O-CG 3.37Å; R360-P362 WeakPolarHBondContact O-CD 3.42Å; P362-H364 PolarHBondContact O-N 3.14Å
363	S	45.5	Very low	60.7	Low	19 Å²	19	80.5 Å²	80.5	13%	0.133	42%	0.417	C	S	.	.			trans	-90.4	79.2	166.9	57.2	0	0	0	0	110.5	K361 E365	K361-S363 PolarHBondContact O-N 2.84Å; S363-E365 PolarHBondContact O-N 2.93Å
364	H	41.8	Very low	58.4	Low	167 Å²	167	84.4 Å²	84.4	77%	0.773	44%	0.437	S	S	*	.			trans	-70.7	-1.3	155.6	-125.7	-75.5	0	0	0	111.8	K361 P362 E366	K361-H364 PolarHBondContact O-N 2.9Å; P362-H364 PolarHBondContact O-N 3.14Å; H364-E366 PolarHBondContact O-N 2.97Å
365	E	44.5	Very low	56.1	Low	98 Å²	98	86.9 Å²	86.9	46%	0.458	45%	0.452	S	S	.	.	S	Bend	trans	-88.7	84	172.7	-67.1	170.1	163.6	0	0	108	N57 S363	N57-E365 PolarHBondContact ND2-OE2 3.15Å; S363-E365 PolarHBondContact O-N 2.93Å
366	E	41.5	Very low	54	Low	141 Å²	141	93.7 Å²	93.7	66%	0.659	48%	0.481	S	S	*	.			trans	41.7	101	156.2	-61	-178.8	170.6	0	0	115	H364 A368	H364-E366 PolarHBondContact O-N 2.97Å; E366-A368 HydrophobicContact CB-CB 3.76Å; E366-A368 PolarHBondContact O-N 3.31Å
367	D	42.4	Very low	52.2	Low	126 Å²	126	98.4 Å²	98.4	67%	0.674	50%	0.503	S	S	*	.			trans	-59.5	41.2	137.9	-63	-50.5	0	0	0	109.9	K361 A369	K361-D367 IonicContact NZ-OD2 3.96Å; D367-A369 PolarHBondContact O-N 3.12Å
368	A	41.7	Very low	50.8	Low	50 Å²	50	100.3 Å²	100.3	41%	0.413	52%	0.516	S	S	.	.			trans	-52.7	108.8	154.5	0	0	0	0	0	102.2	E366 V370	E366-A368 HydrophobicContact CB-CB 3.76Å; E366-A368 PolarHBondContact O-N 3.31Å; A368-V370 PolarHBondContact O-N 3.28Å
369	A	42.2	Very low	49.7	Very low	94 Å²	94	105.8 Å²	105.8	78%	0.777	55%	0.552	S	S	*	*			trans	-61.1	69.4	177.2	0	0	0	0	0	108.5	D367 S371	D367-A369 PolarHBondContact O-N 3.12Å; A369-S371 PolarHBondContact O-N 3.46Å
370	V	42.5	Very low	49.6	Very low	76 Å²	76	101.8 Å²	101.8	46%	0.461	54%	0.537	S	S	.	.			trans	-66.8	66.2	143	-162.7	0	0	0	0	104.2	V55 A368 V372	V55-V370 HydrophobicContact CG1-CG1 4.36Å; A368-V370 PolarHBondContact O-N 3.28Å; V370-V372 HydrophobicContact CG1-CG2 3.63Å; V370-V372 PolarHBondContact O-N 3.38Å
371	S	42.8	Very low	49.9	Very low	73 Å²	73	97.6 Å²	97.6	51%	0.51	53%	0.526	S	S	.	.			trans	-55.8	85.1	143.6	-167.3	0	0	0	0	102.6	A369 K373	A369-S371 PolarHBondContact O-N 3.46Å; S371-K373 VanDerWaalsContact C-N 3.27Å; S371-K373 PolarHBondContact O-N 2.96Å
372	V	46.6	Very low	51.2	Low	21 Å²	21	92.9 Å²	92.9	13%	0.127	51%	0.507	C	S	.	.			trans	-55.1	107.3	171	179.6	0	0	0	0	101.9	F31 V370 N374 T375	F31-V372 HydrophobicContact CD1-CG2 4.19Å; F31-V372 HydrophobicContact CD2-CG1 4.12Å; F31-V372 HydrophobicContact CE1-CG2 4.23Å; F31-V372 HydrophobicContact CE2-CG1 3.94Å; F31-V372 HydrophobicContact CZ-CG1 4.15Å; V370-V372 HydrophobicContact CG1-CG2 3.63Å; V370-V372 PolarHBondContact O-N 3.38Å; V372-N374 HydrophobicContact CG1-CB 4.01Å; V372-N374 PolarHBondContact O-N 3.22Å; V372-T375 PolarHBondContact O-N 3.47Å; V372-T375 PolarHBondContact O-OG1 3.22Å
373	K	44.2	Very low	52.9	Low	180 Å²	180	95.7 Å²	95.7	78%	0.783	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-54.8	-12.8	-175.7	-78.2	-177.7	172.8	-178.7	0	112.3	S371	S371-K373 VanDerWaalsContact C-N 3.27Å; S371-K373 PolarHBondContact O-N 2.96Å
374	N	44.5	Very low	54.7	Low	108 Å²	108	98 Å²	98	58%	0.578	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-75.2	-11.6	172.1	-71.1	1.7	0	0	0	115.5	V372 F376 M377	V372-N374 HydrophobicContact CG1-CB 4.01Å; V372-N374 PolarHBondContact O-N 3.22Å; N374-F376 PolarHBondContact O-N 3.19Å; N374-M377 PolarHBondContact O-N 3.27Å
375	T	44.8	Very low	56.3	Low	58 Å²	58	91.2 Å²	91.2	36%	0.356	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-65.6	-26.6	175.6	-48.2	0	0	0	0	111.7	V372 M377 I378 P381	V372-T375 PolarHBondContact O-N 3.47Å; V372-T375 PolarHBondContact O-OG1 3.22Å; T375-M377 PolarHBondContact O-N 3.02Å; T375-I378 PolarHBondContact O-N 3.05Å; T375-I378 VanDerWaalsContact O-N 3.16Å; T375-P381 HydrophobicContact CG2-CB 3.61Å; T375-P381 HydrophobicContact CG2-CG 3.97Å
376	F	48.1	Very low	56.9	Low	167 Å²	167	94.1 Å²	94.1	73%	0.732	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-61.8	-11.9	180	-76.6	-81.2	0	0	0	114.7	N374	N374-F376 PolarHBondContact O-N 3.19Å
377	M	51.6	Low	57.4	Low	170 Å²	170	89 Å²	89	84%	0.837	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-104.1	1	179.8	-64.2	-66.1	164.4	0	0	114.1	N374 T375	N374-M377 PolarHBondContact O-N 3.27Å; T375-M377 PolarHBondContact O-N 3.02Å
378	I	58.5	Low	57	Low	88 Å²	88	88.9 Å²	88.9	45%	0.451	48%	0.481	S	S	.	.			trans	-104.8	120	-178.3	-55.1	177.5	0	0	0	109.1	T375 D380 P381	T375-I378 PolarHBondContact O-N 3.05Å; T375-I378 VanDerWaalsContact O-N 3.16Å; I378-D380 PolarHBondContact O-N 2.65Å; I378-D380 VanDerWaalsContact O-N 3.15Å; I378-P381 WeakPolarHBondContact O-CD 3.48Å
379	T	61.9	Low	56.5	Low	154 Å²	154	97.5 Å²	97.5	95%	0.945	50%	0.503	S	S	*	.	S	Bend	trans	-67.8	-10.1	-176.2	49.8	0	0	0	0	114.9
380	D	77.3	Confident	56.1	Low	47 Å²	47	103.7 Å²	103.7	25%	0.251	51%	0.506	S	S	.	.	S	Bend	trans	-158.6	68.8	-178.8	-171.3	35	0	0	0	110.8	N103 R104 I378	N103-D380 WeakPolarHBondContact CB-OD2 3.15Å; N103-D380 PolarHBondContact ND2-O 3Å; R104-D380 VanDerWaalsContact CB-OD2 3.23Å; R104-D380 WeakPolarHBondContact CB-OD2 3.33Å; R104-D380 WeakPolarHBondContact CG-OD2 3.31Å; R104-D380 PolarHBondContact N-OD2 2.75Å; I378-D380 PolarHBondContact O-N 2.65Å; I378-D380 VanDerWaalsContact O-N 3.15Å
381	P	79.9	Confident	55.6	Low	37 Å²	37	105.3 Å²	105.3	24%	0.24	52%	0.52	C	S	.	.			trans	-67.3	143.1	-175.8	29.7	-33.6	0	0	0	110.3	T375 I378 L383	T375-P381 HydrophobicContact CG2-CB 3.61Å; T375-P381 HydrophobicContact CG2-CG 3.97Å; I378-P381 WeakPolarHBondContact O-CD 3.48Å; P381-L383 HydrophobicContact CG-CD2 4.5Å; P381-L383 PolarHBondContact O-N 3.08Å
382	P	82.8	Confident	54.9	Low	18 Å²	18	104.9 Å²	104.9	12%	0.117	53%	0.526	C	S	.	.			trans	-57.1	111.3	172.9	-23.1	33.8	0	0	0	110.6	V32 Y108	V32-P382 HydrophobicContact CG1-CB 4.08Å; V32-P382 HydrophobicContact CG2-CG 4.36Å; Y108-P382 HydrophobicContact CD2-CB 3.9Å; Y108-P382 HydrophobicContact CD2-CG 4.21Å; Y108-P382 HydrophobicContact CE1-CG 4.47Å; Y108-P382 HydrophobicContact CE2-CB 3.67Å; Y108-P382 HydrophobicContact CE2-CG 3.54Å
383	L	84.7	Confident	53.9	Low	118 Å²	118	110.1 Å²	110.1	62%	0.618	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85	137.8	175.3	-62.7	-179.5	0	0	0	107.8	Y101 E102 P381 R385	Y101-L383 CarbonylContact C-O 3.5Å; Y101-L383 VanDerWaalsContact CA-O 3.23Å; Y101-L383 WeakPolarHBondContact CA-O 3.43Å; E102-L383 PolarHBondContact N-O 3.37Å; E102-L383 PolarHBondContact O-N 3.35Å; P381-L383 HydrophobicContact CG-CD2 4.5Å; P381-L383 PolarHBondContact O-N 3.08Å; L383-R385 PolarHBondContact O-N 3.38Å
384	K	84	Confident	53	Low	68 Å²	68	109 Å²	109	30%	0.296	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-53.6	134.9	165.5	-168.9	165.9	-175.9	158.3	0	105.5	D99 Y101 M386	D99-K384 VanDerWaalsContact CG-NZ 3.32Å; D99-K384 WeakPolarHBondContact OD1-CE 3.49Å; D99-K384 IonicContact OD1-NZ 2.79Å; D99-K384 PolarHBondContact OD1-NZ 3.47Å; D99-K384 IonicContact OD2-NZ 2.82Å; D99-K384 PolarHBondContact OD2-NZ 3.11Å; Y101-K384 HydrophobicContact CD1-CB 3.86Å; Y101-K384 HydrophobicContact CE1-CB 3.51Å; Y101-K384 HydrophobicContact CE1-CD 4.46Å; Y101-K384 HydrophobicContact CE1-CG 4.06Å; K384-M386 HydrophobicContact CB-CG 4.48Å; K384-M386 PolarHBondContact O-N 2.97Å
385	R	76.1	Confident	52.1	Low	23 Å²	23	110.8 Å²	110.8	9%	0.087	58%	0.576	C	S	.	*			trans	-63	85.5	171	-170.2	174.7	-86.6	-177.5	-6	106	E80 V100 E102 L383 E387	E80-R385 IonicContact OE1-CZ 2.73Å; E80-R385 IonicContact OE1-NH1 3.06Å; E80-R385 PolarHBondContact OE1-NH1 3.01Å; E80-R385 IonicContact OE1-NH2 3.87Å; E80-R385 PolarHBondContact OE1-NH2 3.09Å; E80-R385 IonicContact OE2-CZ 3.86Å; E80-R385 IonicContact OE2-NH1 3.19Å; E80-R385 PolarHBondContact OE2-NH1 2.99Å; E80-R385 IonicContact OE2-NH2 2.69Å; V100-R385 HydrophobicContact CB-CB 4.48Å; V100-R385 PolarHBondContact O-N 3.15Å; E102-R385 IonicContact OE1-NH2 2.76Å; E102-R385 IonicContact OE2-CZ 2.62Å; E102-R385 VanDerWaalsContact OE2-CZ 3.31Å; E102-R385 IonicContact OE2-NE 3.45Å; E102-R385 PolarHBondContact OE2-NE 3.16Å; E102-R385 IonicContact OE2-NH2 2.77Å; E102-R385 PolarHBondContact OE2-NH2 3.14Å; L383-R385 PolarHBondContact O-N 3.38Å; R385-E387 PolarHBondContact O-N 2.75Å
386	M	56.3	Low	51.3	Low	160 Å²	160	115.8 Å²	115.8	79%	0.788	59%	0.593	S	S	*	*			trans	-74.6	100.8	-179.1	-81.7	-170.3	67.7	0	0	104.1	K384 Q388	K384-M386 HydrophobicContact CB-CG 4.48Å; K384-M386 PolarHBondContact O-N 2.97Å; M386-Q388 PolarHBondContact O-N 3.24Å
387	E	52.1	Low	50.2	Low	33 Å²	33	111.1 Å²	111.1	15%	0.154	59%	0.592	C	S	.	*			trans	-60.1	109	170.8	-46.7	-87.8	151.9	0	0	105.5	K87 D318 H322 K358 R385 R389	K87-E387 IonicContact NZ-OE1 3.75Å; K87-E387 PolarHBondContact NZ-OE1 3.42Å; D318-E387 HydrophobicContact CB-CB 4.24Å; D318-E387 WeakPolarHBondContact CB-OE2 3.4Å; D318-E387 WeakPolarHBondContact OD2-CA 3.38Å; H322-E387 IonicContact CE1-OE1 3.89Å; H322-E387 PolarHBondContact CE1-OE1 3.06Å; H322-E387 VanDerWaalsContact CE1-OE1 3.31Å; H322-E387 IonicContact CE1-OE2 3.82Å; H322-E387 PolarHBondContact CE1-OE2 2.83Å; H322-E387 IonicContact ND1-OE2 3.86Å; H322-E387 IonicContact NE2-OE1 2.9Å; K358-E387 HydrophobicContact CB-CG 4.48Å; K358-E387 HydrophobicContact CD-CB 3.38Å; K358-E387 HydrophobicContact CD-CG 3.98Å; K358-E387 HydrophobicContact CG-CB 3.65Å; K358-E387 HydrophobicContact CG-CG 3.88Å; K358-E387 VanDerWaalsContact NZ-CB 3.32Å; R385-E387 PolarHBondContact O-N 2.75Å; E387-R389 PolarHBondContact O-N 2.98Å
388	Q	34.6	Very low	48.9	Very low	124 Å²	124	110.8 Å²	110.8	58%	0.579	59%	0.588	S	S	*	*			trans	-50.8	127.9	-170.8	-70.2	-178	-9.1	0	0	109.5	D318 K358 M386 R390	D318-Q388 PolarHBondContact OD2-N 2.68Å; K358-Q388 PolarHBondContact NZ-O 3.22Å; M386-Q388 PolarHBondContact O-N 3.24Å; Q388-R390 PolarHBondContact O-N 3.41Å
389	R	31.4	Very low	47.4	Very low	230 Å²	230	112.3 Å²	112.3	87%	0.868	60%	0.595	S	S	*	*			trans	-77.1	106.8	165.5	-77.8	-177.4	155.7	-168.1	-8.6	107.6	E387	E387-R389 PolarHBondContact O-N 2.98Å
390	R	33.2	Very low	45.6	Very low	225 Å²	225	111.5 Å²	111.5	85%	0.849	59%	0.59	S	S	*	*			trans	-127.3	153.7	160.3	-94.6	-170.6	174.4	-171.3	-0.2	110.9	Q388	Q388-R390 PolarHBondContact O-N 3.41Å
391	C	32.6	Very low	43.4	Very low	110 Å²	110	113 Å²	113	74%	0.743	60%	0.603	S	S	*	*	S	Bend	trans	79.2	123.4	-174.3	-141.4	0	0	0	0	116.9
392	G	27.5	Very low	41	Very low	63 Å²	63	117.2 Å²	117.2	65%	0.649	63%	0.63	S	S	*	*			trans	-68.1	169.8	-172.9	0	0	0	0	0	113.7	Q394	G392-Q394 PolarHBondContact O-N 3.34Å
393	S	26	Very low	38.2	Very low	131 Å²	131	126.1 Å²	126.1	92%	0.916	67%	0.667	S	S	*	*			trans	-40	90	172.8	-62.9	0	0	0	0	113.6
394	Q	25.9	Very low	35.5	Very low	158 Å²	158	126.4 Å²	126.4	74%	0.738	67%	0.673	S	S	*	*			trans	-116.1	105.5	154.9	-76.8	-172.3	-2	0	0	106.9	G392 F396	G392-Q394 PolarHBondContact O-N 3.34Å; Q394-F396 PolarHBondContact O-N 3.26Å
395	T	23.8	Very low	32.8	Very low	144 Å²	144	128 Å²	128	88%	0.883	70%	0.699	S	S	*	*			trans	-54.9	106.1	174	44.8	0	0	0	0	109.3	G397	T395-G397 PolarHBondContact O-N 3.34Å
396	F	28.5	Very low	30.7	Very low	164 Å²	164	134.8 Å²	134.8	72%	0.719	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-60	126	174.9	-89.4	-86.4	0	0	0	110.5	L307 Q394	L307-F396 HydrophobicContact CD1-CD1 3.42Å; L307-F396 VanDerWaalsContact CD1-CD1 3.42Å; L307-F396 HydrophobicContact CD1-CE1 3.65Å; L307-F396 HydrophobicContact CD1-CG 4.38Å; Q394-F396 PolarHBondContact O-N 3.26Å
397	G	25	Very low	29.7	Very low	68 Å²	68	132.3 Å²	132.3	70%	0.701	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-61.1	159.6	-175.2	0	0	0	0	0	114.8	T395	T395-G397 PolarHBondContact O-N 3.34Å
398	Q	25.8	Very low	29.1	Very low	163 Å²	163	134.2 Å²	134.2	76%	0.762	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-70.8	145.2	-159.5	-69	170.9	-12.9	0	0	115.8
399	M	26.6	Very low	29.8	Very low	121 Å²	121	131.6 Å²	131.6	60%	0.596	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-73.4	140.9	178.5	-62.3	165.2	174.4	0	0	113.9	I457	M399-I457 HydrophobicContact SD-CG2 4.29Å
400	T	23.8	Very low	30.6	Very low	137 Å²	137	129 Å²	129	84%	0.84	73%	0.732	S	S	*	*			trans	-137.7	115	154.2	44.5	0	0	0	0	109.7
401	P	31.7	Very low	31.5	Very low	79 Å²	79	121.6 Å²	121.6	51%	0.513	72%	0.715	S	S	.	*			trans	-108.3	159.7	168.4	35.9	-26.6	0	0	0	112
402	P	28.4	Very low	32.3	Very low	124 Å²	124	117 Å²	117	81%	0.805	68%	0.682	S	S	*	*			trans	-81.2	159.5	176.9	22.2	-13.1	0	0	0	113.5
403	K	25	Very low	33.5	Very low	206 Å²	206	121 Å²	121	90%	0.896	68%	0.682	S	S	*	*			trans	-69.5	125.3	-167.7	-59.7	170.2	178.6	175.9	0	113.3
404	T	28	Very low	35	Very low	123 Å²	123	118.1 Å²	118.1	76%	0.755	67%	0.666	S	S	*	*			trans	-145.5	118.4	149.4	56.4	0	0	0	0	110.3	K406	T404-K406 PolarHBondContact O-N 2.58Å
405	A	26.6	Very low	36.5	Very low	102 Å²	102	112.4 Å²	112.4	84%	0.843	64%	0.64	S	S	*	*			trans	-71.5	120.3	178.7	0	0	0	0	0	111.2
406	K	32.6	Very low	38	Very low	165 Å²	165	106.5 Å²	106.5	72%	0.717	60%	0.603	S	S	*	*			trans	-140.4	146.1	169.2	-71.5	-172.1	179.5	175.3	0	111	T404	T404-K406 PolarHBondContact O-N 2.58Å
407	S	35.5	Very low	39.4	Very low	108 Å²	108	102.7 Å²	102.7	76%	0.755	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-56.7	150.4	-173.6	50.3	0	0	0	0	114.5	T409	S407-T409 PolarHBondContact O-N 3.21Å
408	T	39.6	Very low	41	Very low	73 Å²	73	104.5 Å²	104.5	45%	0.448	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-61.8	121	-175	-44.3	0	0	0	0	112.3	Q412	T408-Q412 VanDerWaalsContact CA-OE1 3.29Å; T408-Q412 HydrophobicContact CG2-CB 4.04Å
409	T	47.9	Very low	42.5	Very low	69 Å²	69	97.5 Å²	97.5	42%	0.423	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-85.3	156.7	-177.7	53.4	0	0	0	0	112.6	S407 S411 Q412 K413	S407-T409 PolarHBondContact O-N 3.21Å; T409-S411 PolarHBondContact O-N 3.31Å; T409-Q412 WeakPolarHBondContact O-CB 3.43Å; T409-Q412 PolarHBondContact O-N 3.04Å; T409-Q412 WeakPolarHBondContact OG1-CG 3.31Å; T409-Q412 PolarHBondContact OG1-OE1 3.21Å; T409-K413 PolarHBondContact O-N 3.18Å
410	Q	48.7	Very low	44	Very low	177 Å²	177	92.4 Å²	92.4	83%	0.827	53%	0.53	S	S	*	.	H	α-helix	trans	-58.7	-31.2	179.5	-159.3	166.5	9.2	0	0	112.7	Q412 K413 A414	Q410-Q412 VanDerWaalsContact C-N 3.28Å; Q410-Q412 PolarHBondContact O-N 3.3Å; Q410-K413 PolarHBondContact O-N 2.97Å; Q410-A414 PolarHBondContact O-N 3.36Å
411	S	51	Low	45.8	Very low	68 Å²	68	88.6 Å²	88.6	48%	0.476	51%	0.51	S	S	.	.	H	α-helix	trans	-63.4	-30.3	173.7	-41.7	0	0	0	0	113.1	T409	T409-S411 PolarHBondContact O-N 3.31Å
412	Q	49.9	Very low	47	Very low	14 Å²	14	85.5 Å²	85.5	7%	0.065	49%	0.49	C	S	.	.	H	α-helix	trans	-77.1	-32.7	177.6	-66.7	172.2	-49.2	0	0	112.1	T408 T409 Q410 A414 L415 L416 R454 L456 V459	T408-Q412 VanDerWaalsContact CA-OE1 3.29Å; T408-Q412 HydrophobicContact CG2-CB 4.04Å; T409-Q412 WeakPolarHBondContact O-CB 3.43Å; T409-Q412 PolarHBondContact O-N 3.04Å; T409-Q412 WeakPolarHBondContact OG1-CG 3.31Å; T409-Q412 PolarHBondContact OG1-OE1 3.21Å; Q410-Q412 VanDerWaalsContact C-N 3.28Å; Q410-Q412 PolarHBondContact O-N 3.3Å; Q412-A414 PolarHBondContact O-N 3.43Å; Q412-L415 PolarHBondContact O-N 3.42Å; Q412-L416 PolarHBondContact O-N 2.9Å; Q412-R454 PolarHBondContact NE2-O 2.85Å; Q412-L456 HydrophobicContact CG-CD1 4.09Å; Q412-V459 HydrophobicContact CG-CG2 4.33Å
413	K	53.4	Low	48.3	Very low	146 Å²	146	80.8 Å²	80.8	64%	0.635	46%	0.459	S	S	*	.	H	α-helix	trans	-61	-34.5	172.9	-74.4	-172.6	175.7	-177.1	0	112.1	T409 Q410 P417	T409-K413 PolarHBondContact O-N 3.18Å; Q410-K413 PolarHBondContact O-N 2.97Å; K413-P417 WeakPolarHBondContact O-CD 3.47Å
414	A	57.8	Low	50	Low	71 Å²	71	76.5 Å²	76.5	59%	0.587	44%	0.437	S	S	*	.	H	α-helix	trans	-72	-30	177.4	0	0	0	0	0	113.5	Q410 Q412 P417	Q410-A414 PolarHBondContact O-N 3.36Å; Q412-A414 PolarHBondContact O-N 3.43Å; A414-P417 WeakPolarHBondContact O-CD 3.19Å
415	L	56.7	Low	51.3	Low	38 Å²	38	75.1 Å²	75.1	20%	0.199	43%	0.425	C	S	.	.	H	α-helix	trans	-83.6	-17.2	-179.1	-73.3	173.1	0	0	0	113.4	Q412 L418 Y419 L456 V459 L463	Q412-L415 PolarHBondContact O-N 3.42Å; L415-L418 WeakPolarHBondContact O-CB 3.02Å; L415-L418 PolarHBondContact O-N 2.72Å; L415-Y419 PolarHBondContact O-N 3.26Å; L415-L456 HydrophobicContact CD1-CD1 3.63Å; L415-V459 HydrophobicContact CB-CG1 4.25Å; L415-V459 HydrophobicContact CD1-CG1 4.06Å; L415-L463 HydrophobicContact CB-CD1 4.06Å; L415-L463 HydrophobicContact CD1-CD1 4.44Å; L415-L463 HydrophobicContact CD2-CD1 4.06Å; L415-L463 HydrophobicContact CG-CD1 4.42Å
416	L	54.8	Low	52.5	Low	21 Å²	21	71.8 Å²	71.8	11%	0.11	39%	0.394	C	S	.	.	H	α-helix	trans	-63.1	-45.9	-176.2	173.5	90	0	0	0	113.8	Q412 L418 Y419 V420 Y448 L451	Q412-L416 PolarHBondContact O-N 2.9Å; L416-L418 VanDerWaalsContact C-N 3.25Å; L416-L418 PolarHBondContact O-N 3.42Å; L416-Y419 PolarHBondContact O-N 3Å; L416-Y419 VanDerWaalsContact O-N 3.15Å; L416-V420 HydrophobicContact CD1-CG2 4.37Å; L416-V420 HydrophobicContact CG-CG2 4.37Å; L416-V420 WeakPolarHBondContact O-CG2 3.43Å; L416-V420 PolarHBondContact O-N 3.41Å; L416-Y448 HydrophobicContact CD1-CD1 3.82Å; L416-Y448 HydrophobicContact CD1-CD2 3.92Å; L416-Y448 HydrophobicContact CD1-CE1 3.61Å; L416-Y448 HydrophobicContact CD1-CE2 3.74Å; L416-Y448 HydrophobicContact CD1-CG 4Å; L416-Y448 HydrophobicContact CD2-CD2 4.39Å; L416-Y448 HydrophobicContact CD2-CE1 3.84Å; L416-Y448 HydrophobicContact CD2-CE2 3.4Å; L416-Y448 WeakPolarHBondContact CD2-OH 3.41Å; L416-Y448 HydrophobicContact CG-CE1 4.33Å; L416-Y448 HydrophobicContact CG-CE2 4.05Å; L416-L451 HydrophobicContact CD1-CD1 3.83Å
417	P	58.2	Low	53.4	Low	83 Å²	83	68.9 Å²	68.9	54%	0.539	38%	0.378	S	S	.	.	H	α-helix	trans	-59.3	-37.8	176.3	-23.6	33.6	0	0	0	112.5	K413 A414 S421	K413-P417 WeakPolarHBondContact O-CD 3.47Å; A414-P417 WeakPolarHBondContact O-CD 3.19Å; P417-S421 VanDerWaalsContact O-CB 3.25Å; P417-S421 WeakPolarHBondContact O-CB 3.43Å; P417-S421 PolarHBondContact O-N 2.85Å
418	L	58.8	Low	54.2	Low	107 Å²	107	72.2 Å²	72.2	56%	0.56	37%	0.374	S	S	*	.	H	α-helix	trans	-63.6	-44.7	175.1	-87.2	149.1	0	0	0	111.5	L415 L416 S421 C422 L463	L415-L418 WeakPolarHBondContact O-CB 3.02Å; L415-L418 PolarHBondContact O-N 2.72Å; L416-L418 VanDerWaalsContact C-N 3.25Å; L416-L418 PolarHBondContact O-N 3.42Å; L418-S421 PolarHBondContact O-N 3.13Å; L418-C422 WeakPolarHBondContact O-CB 3.35Å; L418-C422 PolarHBondContact O-N 2.61Å; L418-C422 PolarHBondContact O-SG 2.98Å; L418-L463 HydrophobicContact CB-CD2 4.39Å
419	Y	57.2	Low	54.5	Low	15 Å²	15	69.8 Å²	69.8	6%	0.059	36%	0.36	C	S	.	.	H	α-helix	trans	-65.4	-45.9	178.3	-179.4	-100.4	0	0	0	111.9	L415 L416 S421 C422 C423 L447 L451 L462 L463	L415-Y419 PolarHBondContact O-N 3.26Å; L416-Y419 PolarHBondContact O-N 3Å; L416-Y419 VanDerWaalsContact O-N 3.15Å; Y419-S421 VanDerWaalsContact C-N 3.34Å; Y419-S421 PolarHBondContact O-N 2.81Å; Y419-C422 PolarHBondContact O-N 2.83Å; Y419-C423 VanDerWaalsContact CZ-SG 3.53Å; Y419-C423 WeakPolarHBondContact O-CB 2.91Å; Y419-C423 PolarHBondContact O-N 3.01Å; Y419-C423 PolarHBondContact O-SG 3.31Å; Y419-C423 VanDerWaalsContact O-SG 3.36Å; Y419-L447 WeakPolarHBondContact CE1-O 3.48Å; Y419-L451 HydrophobicContact CD1-CD1 3.42Å; Y419-L451 VanDerWaalsContact CD1-CD1 3.42Å; Y419-L451 HydrophobicContact CD1-CD2 4.2Å; Y419-L451 HydrophobicContact CD1-CG 3.86Å; Y419-L451 HydrophobicContact CD2-CD1 4.45Å; Y419-L451 HydrophobicContact CD2-CD2 4.15Å; Y419-L451 HydrophobicContact CE1-CD1 4Å; Y419-L451 HydrophobicContact CE1-CD2 4.17Å; Y419-L451 HydrophobicContact CE1-CG 3.9Å; Y419-L451 HydrophobicContact CE2-CD2 4.12Å; Y419-L451 HydrophobicContact CG-CD1 3.67Å; Y419-L451 HydrophobicContact CG-CD2 4.18Å; Y419-L451 HydrophobicContact CG-CG 4.25Å; Y419-L462 HydrophobicContact CE2-CB 4.06Å; Y419-L462 HydrophobicContact CE2-CD2 4.02Å; Y419-L462 WeakPolarHBondContact OH-CD2 3.49Å; Y419-L463 HydrophobicContact CD2-CD2 3.92Å; Y419-L463 HydrophobicContact CD2-CG 3.92Å; Y419-L463 HydrophobicContact CG-CD2 4.27Å
420	V	59.5	Low	54.2	Low	14 Å²	14	74.7 Å²	74.7	9%	0.085	37%	0.371	C	S	.	.	H	α-helix	trans	-61.3	-44.4	177.2	172.7	0	0	0	0	110.5	L416 C423 R424 L447	L416-V420 HydrophobicContact CD1-CG2 4.37Å; L416-V420 HydrophobicContact CG-CG2 4.37Å; L416-V420 WeakPolarHBondContact O-CG2 3.43Å; L416-V420 PolarHBondContact O-N 3.41Å; V420-C423 PolarHBondContact O-N 3.15Å; V420-R424 WeakPolarHBondContact O-CB 3.47Å; V420-R424 VanDerWaalsContact O-CG 3.3Å; V420-R424 WeakPolarHBondContact O-CG 3.42Å; V420-R424 PolarHBondContact O-N 3.32Å; V420-L447 HydrophobicContact CB-CD2 4.38Å; V420-L447 HydrophobicContact CG1-CD2 4.24Å; V420-L447 HydrophobicContact CG2-CD2 4.36Å
421	S	61.7	Low	53.8	Low	58 Å²	58	69.6 Å²	69.6	41%	0.406	35%	0.346	S	S	.	.	H	α-helix	trans	-63.1	-45	177.3	-160.1	0	0	0	0	112	P417 L418 Y419 C423 R424 L425	P417-S421 VanDerWaalsContact O-CB 3.25Å; P417-S421 WeakPolarHBondContact O-CB 3.43Å; P417-S421 PolarHBondContact O-N 2.85Å; L418-S421 PolarHBondContact O-N 3.13Å; Y419-S421 VanDerWaalsContact C-N 3.34Å; Y419-S421 PolarHBondContact O-N 2.81Å; S421-C423 PolarHBondContact O-N 2.83Å; S421-R424 PolarHBondContact O-N 2.76Å; S421-L425 PolarHBondContact O-N 2.77Å
422	C	56	Low	53.5	Low	14 Å²	14	71.2 Å²	71.2	10%	0.095	36%	0.358	C	S	.	.	H	α-helix	trans	-59.9	-48.1	175.9	-71.6	0	0	0	0	111.6	L418 Y419 R424 L425 V426 A466	L418-C422 WeakPolarHBondContact O-CB 3.35Å; L418-C422 PolarHBondContact O-N 2.61Å; L418-C422 PolarHBondContact O-SG 2.98Å; Y419-C422 PolarHBondContact O-N 2.83Å; C422-R424 PolarHBondContact O-N 2.78Å; C422-L425 WeakPolarHBondContact O-CB 3.39Å; C422-L425 PolarHBondContact O-N 3.03Å; C422-L425 VanDerWaalsContact O-N 3.12Å; C422-V426 WeakPolarHBondContact O-CG2 3.47Å; C422-V426 PolarHBondContact O-N 2.85Å; C422-A466 HydrophobicContact CB-CB 4.35Å
423	C	55.6	Low	53.1	Low	24 Å²	24	74.1 Å²	74.1	16%	0.162	37%	0.374	C	S	.	.	H	α-helix	trans	-64.8	-36.3	179.1	-73	0	0	0	0	112.7	Y419 V420 S421 L425 R427 L447	Y419-C423 VanDerWaalsContact CZ-SG 3.53Å; Y419-C423 WeakPolarHBondContact O-CB 2.91Å; Y419-C423 PolarHBondContact O-N 3.01Å; Y419-C423 PolarHBondContact O-SG 3.31Å; Y419-C423 VanDerWaalsContact O-SG 3.36Å; V420-C423 PolarHBondContact O-N 3.15Å; S421-C423 PolarHBondContact O-N 2.83Å; C423-L425 VanDerWaalsContact C-N 3.34Å; C423-R427 WeakPolarHBondContact O-CB 3.14Å; C423-R427 PolarHBondContact O-N 3.33Å; C423-L447 HydrophobicContact CB-CD2 3.27Å; C423-L447 HydrophobicContact CB-CG 4.21Å
424	R	60.5	Low	52.4	Low	117 Å²	117	72 Å²	72	44%	0.442	37%	0.369	S	S	.	.	H	α-helix	trans	-63	-40.2	171.2	-72.4	-177.1	-155.4	154.6	3.6	111.5	V420 S421 C422 R427 R428 E444	V420-R424 WeakPolarHBondContact O-CB 3.47Å; V420-R424 VanDerWaalsContact O-CG 3.3Å; V420-R424 WeakPolarHBondContact O-CG 3.42Å; V420-R424 PolarHBondContact O-N 3.32Å; S421-R424 PolarHBondContact O-N 2.76Å; C422-R424 PolarHBondContact O-N 2.78Å; R424-R427 PolarHBondContact O-N 3.47Å; R424-R428 WeakPolarHBondContact O-CB 3.42Å; R424-R428 WeakPolarHBondContact O-CG 3.35Å; R424-R428 PolarHBondContact O-N 3.44Å; R424-E444 IonicContact CZ-OE1 3.59Å; R424-E444 IonicContact NH2-OE1 2.61Å; R424-E444 PolarHBondContact NH2-OE1 3.46Å
425	L	55.9	Low	51.6	Low	93 Å²	93	72.3 Å²	72.3	49%	0.487	38%	0.379	S	S	.	.	H	α-helix	trans	-65.2	-46.8	176.2	-105.1	140.7	0	0	0	112	S421 C422 C423 R427 R428 S429 V470	S421-L425 PolarHBondContact O-N 2.77Å; C422-L425 WeakPolarHBondContact O-CB 3.39Å; C422-L425 PolarHBondContact O-N 3.03Å; C422-L425 VanDerWaalsContact O-N 3.12Å; C423-L425 VanDerWaalsContact C-N 3.34Å; L425-R427 PolarHBondContact O-N 2.91Å; L425-R428 PolarHBondContact O-N 3.34Å; L425-S429 WeakPolarHBondContact O-CB 3.49Å; L425-S429 PolarHBondContact O-N 3.23Å; L425-V470 HydrophobicContact CB-CG2 4.25Å
426	V	52.2	Low	50.6	Low	32 Å²	32	76.6 Å²	76.6	19%	0.194	40%	0.396	C	S	.	.	H	α-helix	trans	-56	-51.7	173.4	178.3	0	0	0	0	109.5	C422 R428 S429 W430 A466 A469 V470	C422-V426 WeakPolarHBondContact O-CG2 3.47Å; C422-V426 PolarHBondContact O-N 2.85Å; V426-R428 PolarHBondContact O-N 2.88Å; V426-S429 PolarHBondContact O-N 2.92Å; V426-W430 WeakPolarHBondContact O-CB 3.32Å; V426-W430 PolarHBondContact O-N 2.89Å; V426-A466 WeakPolarHBondContact CG2-O 3.39Å; V426-A469 HydrophobicContact CG2-CB 4.4Å; V426-V470 HydrophobicContact CB-CG2 4.24Å; V426-V470 HydrophobicContact CG2-CB 4.36Å; V426-V470 HydrophobicContact CG2-CG2 3.21Å
427	R	51.4	Low	50.1	Low	104 Å²	104	79.5 Å²	79.5	39%	0.392	42%	0.418	S	S	.	.	H	α-helix	trans	-60.5	-45.1	-179.9	-92.4	-173.4	166	157.9	-4.5	112.2	C423 R424 L425 S429 W430 F431	C423-R427 WeakPolarHBondContact O-CB 3.14Å; C423-R427 PolarHBondContact O-N 3.33Å; R424-R427 PolarHBondContact O-N 3.47Å; L425-R427 PolarHBondContact O-N 2.91Å; R427-S429 VanDerWaalsContact C-N 3.35Å; R427-S429 PolarHBondContact O-N 3.47Å; R427-W430 PolarHBondContact O-N 3.14Å; R427-F431 HydrophobicContact CB-CD2 4.14Å; R427-F431 HydrophobicContact CB-CE2 4.31Å; R427-F431 HydrophobicContact CG-CD2 4.27Å; R427-F431 HydrophobicContact CG-CE2 3.94Å; R427-F431 WeakPolarHBondContact O-CB 3.37Å; R427-F431 WeakPolarHBondContact O-CD2 3.35Å; R427-F431 PolarHBondContact O-N 3.31Å
428	R	50.7	Low	49.3	Very low	178 Å²	178	85.7 Å²	85.7	67%	0.672	43%	0.431	S	S	*	.	H	α-helix	trans	-60.8	-43.9	177.3	-78.9	-178.3	-179.9	179.4	1	112	R424 L425 V426 S432	R424-R428 WeakPolarHBondContact O-CB 3.42Å; R424-R428 WeakPolarHBondContact O-CG 3.35Å; R424-R428 PolarHBondContact O-N 3.44Å; L425-R428 PolarHBondContact O-N 3.34Å; V426-R428 PolarHBondContact O-N 2.88Å; R428-S432 VanDerWaalsContact O-CB 3.24Å; R428-S432 WeakPolarHBondContact O-CB 3.44Å; R428-S432 PolarHBondContact O-N 3.29Å
429	S	47.7	Very low	48.6	Very low	22 Å²	22	85.1 Å²	85.1	15%	0.154	44%	0.436	C	S	.	.	H	α-helix	trans	-64.6	-42.2	177.4	177.6	0	0	0	0	111.9	L425 V426 R427	L425-S429 WeakPolarHBondContact O-CB 3.49Å; L425-S429 PolarHBondContact O-N 3.23Å; V426-S429 PolarHBondContact O-N 2.92Å; R427-S429 VanDerWaalsContact C-N 3.35Å; R427-S429 PolarHBondContact O-N 3.47Å
430	W	39.7	Very low	47.9	Very low	172 Å²	172	89 Å²	89	65%	0.652	46%	0.457	S	S	*	.	H	α-helix	trans	-69.2	-46.1	178.9	-117.9	52	0	0	0	113	V426 R427 N433 L434	V426-W430 WeakPolarHBondContact O-CB 3.32Å; V426-W430 PolarHBondContact O-N 2.89Å; R427-W430 PolarHBondContact O-N 3.14Å; W430-N433 WeakPolarHBondContact O-CB 3.4Å; W430-N433 PolarHBondContact O-N 3.01Å; W430-L434 HydrophobicContact CE3-CD1 4.45Å; W430-L434 PolarHBondContact O-N 2.9Å
431	F	41.7	Very low	47.2	Very low	70 Å²	70	94.1 Å²	94.1	31%	0.307	49%	0.488	S	S	.	.	H	α-helix	trans	-73.9	-31.1	-178	-77.4	-69.3	0	0	0	112.9	R427 N433 L434 G435 K436	R427-F431 HydrophobicContact CB-CD2 4.14Å; R427-F431 HydrophobicContact CB-CE2 4.31Å; R427-F431 HydrophobicContact CG-CD2 4.27Å; R427-F431 HydrophobicContact CG-CE2 3.94Å; R427-F431 WeakPolarHBondContact O-CB 3.37Å; R427-F431 WeakPolarHBondContact O-CD2 3.35Å; R427-F431 PolarHBondContact O-N 3.31Å; F431-N433 PolarHBondContact O-N 3.28Å; F431-L434 PolarHBondContact O-N 3.49Å; F431-G435 PolarHBondContact O-N 3.02Å; F431-K436 HydrophobicContact CD1-CB 4.08Å; F431-K436 HydrophobicContact CD1-CD 4.5Å; F431-K436 HydrophobicContact CE1-CD 4.37Å
432	S	44.3	Very low	46.3	Very low	102 Å²	102	98.1 Å²	98.1	71%	0.713	50%	0.498	S	S	*	.	H	α-helix	trans	-60.3	-25.5	170.1	-170.7	0	0	0	0	112.4	R428	R428-S432 VanDerWaalsContact O-CB 3.24Å; R428-S432 WeakPolarHBondContact O-CB 3.44Å; R428-S432 PolarHBondContact O-N 3.29Å
433	N	41.3	Very low	45.9	Very low	76 Å²	76	105.4 Å²	105.4	41%	0.406	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-14.9	176.3	-95.2	-32.2	0	0	0	114.2	W430 F431 C477	W430-N433 WeakPolarHBondContact O-CB 3.4Å; W430-N433 PolarHBondContact O-N 3.01Å; F431-N433 PolarHBondContact O-N 3.28Å; N433-C477 PolarHBondContact ND2-SG 3.39Å
434	L	38.2	Very low	45.2	Very low	102 Å²	102	109.9 Å²	109.9	53%	0.534	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	5	-176.3	-81.1	162.2	0	0	0	113.8	W430 F431 K436	W430-L434 HydrophobicContact CE3-CD1 4.45Å; W430-L434 PolarHBondContact O-N 2.9Å; F431-L434 PolarHBondContact O-N 3.49Å; L434-K436 HydrophobicContact CB-CG 4.45Å; L434-K436 PolarHBondContact O-N 3.32Å; L434-K436 VanDerWaalsContact O-N 3.08Å
435	G	41.8	Very low	44.4	Very low	77 Å²	77	109.9 Å²	109.9	79%	0.794	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	62.3	17.2	177.4	0	0	0	0	0	114.4	F431	F431-G435 PolarHBondContact O-N 3.02Å
436	K	36.6	Very low	44	Very low	127 Å²	127	110.2 Å²	110.2	55%	0.552	56%	0.555	S	S	*	*			trans	-89.2	138.5	-178	-69.1	-164.5	175.3	-171.6	0	111.7	F431 L434	F431-K436 HydrophobicContact CD1-CB 4.08Å; F431-K436 HydrophobicContact CD1-CD 4.5Å; F431-K436 HydrophobicContact CE1-CD 4.37Å; L434-K436 HydrophobicContact CB-CG 4.45Å; L434-K436 PolarHBondContact O-N 3.32Å; L434-K436 VanDerWaalsContact O-N 3.08Å
437	S	42.8	Very low	43.8	Very low	82 Å²	82	109.9 Å²	109.9	57%	0.573	55%	0.552	S	S	*	*			trans	-56.4	149	179.5	171.9	0	0	0	0	113.2	S439	S437-S439 PolarHBondContact O-N 3.41Å; S437-S439 PolarHBondContact OG-N 3.49Å; S437-S439 PolarHBondContact OG-OG 3.18Å; S437-S439 VanDerWaalsContact OG-OG 3.11Å
438	R	41.6	Very low	43.6	Very low	213 Å²	213	110.4 Å²	110.4	80%	0.804	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-63.2	-7.3	179.9	-142.1	178	-169.8	-179.1	3.1	114.1	V441	R438-V441 VanDerWaalsContact O-CG2 3.29Å; R438-V441 WeakPolarHBondContact O-CG2 3.42Å
439	S	45.4	Very low	43.7	Very low	95 Å²	95	107.2 Å²	107.2	66%	0.664	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-79.2	-13.4	-174.6	50.6	0	0	0	0	115	S437 V441	S437-S439 PolarHBondContact O-N 3.41Å; S437-S439 PolarHBondContact OG-N 3.49Å; S437-S439 PolarHBondContact OG-OG 3.18Å; S437-S439 VanDerWaalsContact OG-OG 3.11Å; S439-V441 PolarHBondContact O-N 2.91Å; S439-V441 VanDerWaalsContact O-N 3.15Å
440	D	42.4	Very low	44.2	Very low	97 Å²	97	108.2 Å²	108.2	52%	0.519	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-80.2	13.3	-179.4	-72.6	-21.2	0	0	0	114.4	K442	D440-K442 VanDerWaalsContact C-N 3.3Å; D440-K442 PolarHBondContact O-N 3.33Å
441	V	42.8	Very low	45	Very low	121 Å²	121	100.7 Å²	100.7	73%	0.733	53%	0.533	S	S	*	.			trans	-77.9	78.4	-177.5	-175.1	0	0	0	0	110	R438 S439	R438-V441 VanDerWaalsContact O-CG2 3.29Å; R438-V441 WeakPolarHBondContact O-CG2 3.42Å; S439-V441 PolarHBondContact O-N 2.91Å; S439-V441 VanDerWaalsContact O-N 3.15Å
442	K	44.5	Very low	45.8	Very low	142 Å²	142	105.1 Å²	105.1	62%	0.617	55%	0.552	S	S	*	*			trans	-64.2	148.1	171.8	-74.9	-172.5	176.4	-177.5	0	112.2	D440	D440-K442 VanDerWaalsContact C-N 3.3Å; D440-K442 PolarHBondContact O-N 3.33Å
443	K	46.5	Very low	46.6	Very low	168 Å²	168	102.3 Å²	102.3	73%	0.73	54%	0.54	S	S	*	.			trans	-48.7	145.8	-164.7	-65.6	177.2	176.4	179.7	0	114.8	D445 E446	K443-D445 PolarHBondContact O-N 2.88Å; K443-E446 PolarHBondContact O-N 3.44Å; K443-E446 VanDerWaalsContact O-N 3.11Å
444	E	41.4	Very low	47.7	Very low	118 Å²	118	103.5 Å²	103.5	55%	0.551	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-27.6	179.6	-68.1	-172.1	139.3	0	0	114.5	R424 E446 L447	R424-E444 IonicContact CZ-OE1 3.59Å; R424-E444 IonicContact NH2-OE1 2.61Å; R424-E444 PolarHBondContact NH2-OE1 3.46Å; E444-E446 VanDerWaalsContact C-N 3.25Å; E444-E446 PolarHBondContact O-N 2.9Å; E444-L447 WeakPolarHBondContact O-CB 3.46Å; E444-L447 PolarHBondContact O-N 3.45Å
445	D	44.3	Very low	48.9	Very low	117 Å²	117	101.1 Å²	101.1	63%	0.626	53%	0.531	S	S	*	.	H	α-helix	trans	-58.7	-34.2	179.3	-64.2	-39.7	0	0	0	112.8	K443 L447 Y448	K443-D445 PolarHBondContact O-N 2.88Å; D445-L447 PolarHBondContact O-N 3.31Å; D445-Y448 WeakPolarHBondContact O-CB 3.47Å; D445-Y448 PolarHBondContact O-N 3.47Å; D445-Y448 VanDerWaalsContact O-N 3.14Å
446	E	47.6	Very low	49.9	Very low	100 Å²	100	100.5 Å²	100.5	47%	0.467	51%	0.509	S	S	.	.	H	α-helix	trans	-65.3	-27.7	176.8	-75.3	-175.9	179.4	0	0	112.4	K443 E444 Y448 P450	K443-E446 PolarHBondContact O-N 3.44Å; K443-E446 VanDerWaalsContact O-N 3.11Å; E444-E446 VanDerWaalsContact C-N 3.25Å; E444-E446 PolarHBondContact O-N 2.9Å; E446-Y448 VanDerWaalsContact C-N 3.33Å; E446-P450 WeakPolarHBondContact O-CD 3.41Å
447	L	47.2	Very low	51.2	Low	24 Å²	24	99.4 Å²	99.4	13%	0.126	51%	0.508	C	S	.	.	H	α-helix	trans	-78.5	-16.8	176.8	-96.6	85.1	0	0	0	113.4	Y419 V420 C423 E444 D445 P450	Y419-L447 WeakPolarHBondContact CE1-O 3.48Å; V420-L447 HydrophobicContact CB-CD2 4.38Å; V420-L447 HydrophobicContact CG1-CD2 4.24Å; V420-L447 HydrophobicContact CG2-CD2 4.36Å; C423-L447 HydrophobicContact CB-CD2 3.27Å; C423-L447 HydrophobicContact CB-CG 4.21Å; E444-L447 WeakPolarHBondContact O-CB 3.46Å; E444-L447 PolarHBondContact O-N 3.45Å; D445-L447 PolarHBondContact O-N 3.31Å; L447-P450 VanDerWaalsContact O-CD 3.32Å; L447-P450 WeakPolarHBondContact O-CD 3.25Å
448	Y	46.1	Very low	52.2	Low	116 Å²	116	98.4 Å²	98.4	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-80.9	-33.5	179.3	-120.9	-79.8	0	0	0	112.2	L416 D445 E446 P450 L451 K452	L416-Y448 HydrophobicContact CD1-CD1 3.82Å; L416-Y448 HydrophobicContact CD1-CD2 3.92Å; L416-Y448 HydrophobicContact CD1-CE1 3.61Å; L416-Y448 HydrophobicContact CD1-CE2 3.74Å; L416-Y448 HydrophobicContact CD1-CG 4Å; L416-Y448 HydrophobicContact CD2-CD2 4.39Å; L416-Y448 HydrophobicContact CD2-CE1 3.84Å; L416-Y448 HydrophobicContact CD2-CE2 3.4Å; L416-Y448 WeakPolarHBondContact CD2-OH 3.41Å; L416-Y448 HydrophobicContact CG-CE1 4.33Å; L416-Y448 HydrophobicContact CG-CE2 4.05Å; D445-Y448 WeakPolarHBondContact O-CB 3.47Å; D445-Y448 PolarHBondContact O-N 3.47Å; D445-Y448 VanDerWaalsContact O-N 3.14Å; E446-Y448 VanDerWaalsContact C-N 3.33Å; Y448-P450 VanDerWaalsContact C-CD 3.41Å; Y448-P450 VanDerWaalsContact C-N 3.34Å; Y448-L451 PolarHBondContact O-N 3.04Å; Y448-L451 VanDerWaalsContact O-N 3.13Å; Y448-K452 PolarHBondContact O-N 2.94Å
449	V	53.4	Low	53.3	Low	111 Å²	111	88.3 Å²	88.3	67%	0.673	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-42.4	-177.6	-176.4	0	0	0	0	112.8	L451	V449-L451 VanDerWaalsContact C-N 3.29Å; V449-L451 PolarHBondContact O-N 3.3Å
450	P	57.7	Low	54.1	Low	43 Å²	43	89.1 Å²	89.1	28%	0.279	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.7	-179.7	-21.8	32.3	0	0	0	115	E446 L447 Y448 R454	E446-P450 WeakPolarHBondContact O-CD 3.41Å; L447-P450 VanDerWaalsContact O-CD 3.32Å; L447-P450 WeakPolarHBondContact O-CD 3.25Å; Y448-P450 VanDerWaalsContact C-CD 3.41Å; Y448-P450 VanDerWaalsContact C-N 3.34Å; P450-R454 WeakPolarHBondContact O-CD 3.47Å; P450-R454 PolarHBondContact O-NE 2.93Å
451	L	58	Low	55.2	Low	14 Å²	14	86.4 Å²	86.4	7%	0.073	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-21.5	-174.3	-62.7	-178.9	0	0	0	113.4	L416 Y419 Y448 V449 G453 R454 V459	L416-L451 HydrophobicContact CD1-CD1 3.83Å; Y419-L451 HydrophobicContact CD1-CD1 3.42Å; Y419-L451 VanDerWaalsContact CD1-CD1 3.42Å; Y419-L451 HydrophobicContact CD1-CD2 4.2Å; Y419-L451 HydrophobicContact CD1-CG 3.86Å; Y419-L451 HydrophobicContact CD2-CD1 4.45Å; Y419-L451 HydrophobicContact CD2-CD2 4.15Å; Y419-L451 HydrophobicContact CE1-CD1 4Å; Y419-L451 HydrophobicContact CE1-CD2 4.17Å; Y419-L451 HydrophobicContact CE1-CG 3.9Å; Y419-L451 HydrophobicContact CE2-CD2 4.12Å; Y419-L451 HydrophobicContact CG-CD1 3.67Å; Y419-L451 HydrophobicContact CG-CD2 4.18Å; Y419-L451 HydrophobicContact CG-CG 4.25Å; Y448-L451 PolarHBondContact O-N 3.04Å; Y448-L451 VanDerWaalsContact O-N 3.13Å; V449-L451 VanDerWaalsContact C-N 3.29Å; V449-L451 PolarHBondContact O-N 3.3Å; L451-G453 PolarHBondContact O-N 3.36Å; L451-R454 PolarHBondContact O-N 3.42Å; L451-V459 HydrophobicContact CD2-CB 4.38Å; L451-V459 HydrophobicContact CD2-CG1 4.08Å; L451-V459 HydrophobicContact CD2-CG2 4.07Å
452	K	57.3	Low	56.1	Low	162 Å²	162	82.6 Å²	82.6	70%	0.704	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	128.2	-174.3	-163.1	176.3	-178.5	-179.6	0	110.6	Y448 R454	Y448-K452 PolarHBondContact O-N 2.94Å; K452-R454 VanDerWaalsContact C-N 3.27Å; K452-R454 PolarHBondContact O-N 2.9Å
453	G	61.8	Low	56.9	Low	44 Å²	44	76.9 Å²	76.9	45%	0.454	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	2.1	177.3	0	0	0	0	0	116	L451	L451-G453 PolarHBondContact O-N 3.36Å
454	R	64.2	Low	57.7	Low	100 Å²	100	72.9 Å²	72.9	38%	0.377	38%	0.376	S	S	.	.			trans	-80.7	158.9	174.2	-67.9	-163.3	-177.2	-102.4	4.6	111.7	Q412 P450 L451 K452 E458 V459	Q412-R454 PolarHBondContact NE2-O 2.85Å; P450-R454 WeakPolarHBondContact O-CD 3.47Å; P450-R454 PolarHBondContact O-NE 2.93Å; L451-R454 PolarHBondContact O-N 3.42Å; K452-R454 VanDerWaalsContact C-N 3.27Å; K452-R454 PolarHBondContact O-N 2.9Å; R454-E458 WeakPolarHBondContact CA-OE2 3.41Å; R454-E458 HydrophobicContact CB-CB 3.91Å; R454-E458 HydrophobicContact CG-CB 4.41Å; R454-E458 IonicContact NH1-OE1 3.08Å; R454-E458 PolarHBondContact NH1-OE1 2.97Å; R454-E458 VanDerWaalsContact NH1-OE1 3.08Å; R454-V459 HydrophobicContact CB-CG2 4.17Å
455	S	63.7	Low	58.8	Low	53 Å²	53	73.8 Å²	73.8	37%	0.371	37%	0.374	S	S	.	.			trans	-71.1	161	169	66.6	0	0	0	0	111.9	I457 E458 V459	S455-I457 PolarHBondContact O-N 3.49Å; S455-E458 PolarHBondContact N-OE2 3.32Å; S455-E458 PolarHBondContact O-N 3Å; S455-E458 VanDerWaalsContact OG-CG 3.31Å; S455-E458 WeakPolarHBondContact OG-CG 3.36Å; S455-E458 PolarHBondContact OG-N 3.21Å; S455-E458 PolarHBondContact OG-OE2 3.5Å; S455-V459 WeakPolarHBondContact O-CG2 3.44Å; S455-V459 PolarHBondContact O-N 2.61Å
456	L	62.1	Low	59.5	Low	64 Å²	64	68.9 Å²	68.9	34%	0.335	35%	0.35	S	S	.	.	H	α-helix	trans	-59.5	-33.7	176.5	-173	66	0	0	0	112.2	Q412 L415 K460	Q412-L456 HydrophobicContact CG-CD1 4.09Å; L415-L456 HydrophobicContact CD1-CD1 3.63Å; L456-K460 WeakPolarHBondContact O-CG 3.5Å; L456-K460 PolarHBondContact O-N 3.11Å
457	I	64.5	Low	60.2	Low	103 Å²	103	69.5 Å²	69.5	53%	0.528	35%	0.351	S	S	.	.	H	α-helix	trans	-67.6	-44.8	176.3	-104.7	127	0	0	0	111.1	M399 S455 V459 K460 T461	M399-I457 HydrophobicContact SD-CG2 4.29Å; S455-I457 PolarHBondContact O-N 3.49Å; I457-V459 VanDerWaalsContact C-N 3.32Å; I457-V459 PolarHBondContact O-N 2.84Å; I457-K460 WeakPolarHBondContact O-CB 3.3Å; I457-K460 PolarHBondContact O-N 3.46Å; I457-T461 PolarHBondContact O-N 2.92Å; I457-T461 PolarHBondContact O-OG1 2.95Å
458	E	63.2	Low	60.9	Low	61 Å²	61	72.9 Å²	72.9	29%	0.285	37%	0.369	S	S	.	.	H	α-helix	trans	-63.1	-40.2	177	-74.9	173.4	100.9	0	0	112	R454 S455 K460 T461 L462	R454-E458 WeakPolarHBondContact CA-OE2 3.41Å; R454-E458 HydrophobicContact CB-CB 3.91Å; R454-E458 HydrophobicContact CG-CB 4.41Å; R454-E458 IonicContact NH1-OE1 3.08Å; R454-E458 PolarHBondContact NH1-OE1 2.97Å; R454-E458 VanDerWaalsContact NH1-OE1 3.08Å; S455-E458 PolarHBondContact N-OE2 3.32Å; S455-E458 PolarHBondContact O-N 3Å; S455-E458 VanDerWaalsContact OG-CG 3.31Å; S455-E458 WeakPolarHBondContact OG-CG 3.36Å; S455-E458 PolarHBondContact OG-N 3.21Å; S455-E458 PolarHBondContact OG-OE2 3.5Å; E458-K460 VanDerWaalsContact C-N 3.34Å; E458-T461 PolarHBondContact O-N 2.86Å; E458-L462 WeakPolarHBondContact O-CB 3.46Å; E458-L462 PolarHBondContact O-N 3.45Å
459	V	65	Low	61.6	Low	1 Å²	1	69.6 Å²	69.6	1%	0.006	37%	0.366	C	S	.	.	H	α-helix	trans	-60.2	-45	174.4	171.6	0	0	0	0	110.5	Q412 L415 L451 R454 S455 I457 L462 L463	Q412-V459 HydrophobicContact CG-CG2 4.33Å; L415-V459 HydrophobicContact CB-CG1 4.25Å; L415-V459 HydrophobicContact CD1-CG1 4.06Å; L451-V459 HydrophobicContact CD2-CB 4.38Å; L451-V459 HydrophobicContact CD2-CG1 4.08Å; L451-V459 HydrophobicContact CD2-CG2 4.07Å; R454-V459 HydrophobicContact CB-CG2 4.17Å; S455-V459 WeakPolarHBondContact O-CG2 3.44Å; S455-V459 PolarHBondContact O-N 2.61Å; I457-V459 VanDerWaalsContact C-N 3.32Å; I457-V459 PolarHBondContact O-N 2.84Å; V459-L462 PolarHBondContact O-N 3.47Å; V459-L463 HydrophobicContact CG1-CD1 4.12Å; V459-L463 WeakPolarHBondContact O-CB 3.39Å; V459-L463 PolarHBondContact O-N 3.2Å
460	K	63	Low	61.9	Low	112 Å²	112	65 Å²	65	49%	0.487	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-44.6	175.4	-76.3	179.8	178	-173.2	0	111.8	L456 I457 E458 L462 L463 T464	L456-K460 WeakPolarHBondContact O-CG 3.5Å; L456-K460 PolarHBondContact O-N 3.11Å; I457-K460 WeakPolarHBondContact O-CB 3.3Å; I457-K460 PolarHBondContact O-N 3.46Å; E458-K460 VanDerWaalsContact C-N 3.34Å; K460-L462 PolarHBondContact O-N 3.12Å; K460-L463 WeakPolarHBondContact O-CB 3.4Å; K460-L463 PolarHBondContact O-N 2.89Å; K460-T464 PolarHBondContact O-N 3.13Å; K460-T464 PolarHBondContact O-OG1 3.37Å
461	T	63.9	Low	62.2	Low	41 Å²	41	68.1 Å²	68.1	25%	0.252	35%	0.348	S	S	.	.	H	α-helix	trans	-63	-42	178.4	-58.4	0	0	0	0	112	I457 E458 T464 R465	I457-T461 PolarHBondContact O-N 2.92Å; I457-T461 PolarHBondContact O-OG1 2.95Å; E458-T461 PolarHBondContact O-N 2.86Å; T461-T464 PolarHBondContact O-N 2.87Å; T461-R465 WeakPolarHBondContact O-CB 3.47Å; T461-R465 WeakPolarHBondContact O-CG 3.37Å; T461-R465 PolarHBondContact O-N 3.26Å
462	L	62.8	Low	62.3	Low	40 Å²	40	75.4 Å²	75.4	21%	0.209	38%	0.376	C	S	.	.	H	α-helix	trans	-61.5	-43.7	174.1	-103	140.7	0	0	0	111.7	Y419 E458 V459 K460 R465 A466	Y419-L462 HydrophobicContact CE2-CB 4.06Å; Y419-L462 HydrophobicContact CE2-CD2 4.02Å; Y419-L462 WeakPolarHBondContact OH-CD2 3.49Å; E458-L462 WeakPolarHBondContact O-CB 3.46Å; E458-L462 PolarHBondContact O-N 3.45Å; V459-L462 PolarHBondContact O-N 3.47Å; K460-L462 PolarHBondContact O-N 3.12Å; L462-R465 PolarHBondContact O-N 2.86Å; L462-A466 WeakPolarHBondContact O-CB 3.43Å; L462-A466 PolarHBondContact O-N 3.44Å
463	L	62.3	Low	62.6	Low	23 Å²	23	68.3 Å²	68.3	12%	0.12	35%	0.349	C	S	.	.	H	α-helix	trans	-59.6	-48	173.2	-87.6	163.5	0	0	0	112.1	L415 L418 Y419 V459 K460 R465 A466 F467	L415-L463 HydrophobicContact CB-CD1 4.06Å; L415-L463 HydrophobicContact CD1-CD1 4.44Å; L415-L463 HydrophobicContact CD2-CD1 4.06Å; L415-L463 HydrophobicContact CG-CD1 4.42Å; L418-L463 HydrophobicContact CB-CD2 4.39Å; Y419-L463 HydrophobicContact CD2-CD2 3.92Å; Y419-L463 HydrophobicContact CD2-CG 3.92Å; Y419-L463 HydrophobicContact CG-CD2 4.27Å; V459-L463 HydrophobicContact CG1-CD1 4.12Å; V459-L463 WeakPolarHBondContact O-CB 3.39Å; V459-L463 PolarHBondContact O-N 3.2Å; K460-L463 WeakPolarHBondContact O-CB 3.4Å; K460-L463 PolarHBondContact O-N 2.89Å; L463-R465 PolarHBondContact O-N 2.88Å; L463-A466 PolarHBondContact O-N 3.48Å; L463-F467 WeakPolarHBondContact O-CB 3.37Å; L463-F467 PolarHBondContact O-N 2.87Å
464	T	62.6	Low	62.4	Low	83 Å²	83	70.8 Å²	70.8	51%	0.509	35%	0.351	S	S	.	.	H	α-helix	trans	-62.4	-42.3	178.8	-54.7	0	0	0	0	111.5	K460 T461 F467 L468	K460-T464 PolarHBondContact O-N 3.13Å; K460-T464 PolarHBondContact O-OG1 3.37Å; T461-T464 PolarHBondContact O-N 2.87Å; T464-F467 PolarHBondContact O-N 3.36Å; T464-L468 HydrophobicContact CG2-CD1 4.05Å; T464-L468 WeakPolarHBondContact O-CB 3.34Å; T464-L468 WeakPolarHBondContact O-CG 3.4Å; T464-L468 PolarHBondContact O-N 3.47Å
465	R	63.3	Low	62	Low	138 Å²	138	71.6 Å²	71.6	52%	0.521	36%	0.363	S	S	.	.	H	α-helix	trans	-63.5	-43.9	175.5	-75.5	179.1	177.2	178.1	-1.7	112	T461 L462 L463 F467 L468 A469	T461-R465 WeakPolarHBondContact O-CB 3.47Å; T461-R465 WeakPolarHBondContact O-CG 3.37Å; T461-R465 PolarHBondContact O-N 3.26Å; L462-R465 PolarHBondContact O-N 2.86Å; L463-R465 PolarHBondContact O-N 2.88Å; R465-F467 VanDerWaalsContact C-N 3.32Å; R465-F467 PolarHBondContact O-N 2.94Å; R465-L468 PolarHBondContact O-N 3.34Å; R465-A469 WeakPolarHBondContact O-CB 3.46Å; R465-A469 PolarHBondContact O-N 3.34Å
466	A	60	Low	61.8	Low	14 Å²	14	72.2 Å²	72.2	12%	0.116	37%	0.367	C	S	.	.	H	α-helix	trans	-60.8	-43.1	175.2	0	0	0	0	0	111.1	C422 V426 L462 L463 A469 V470	C422-A466 HydrophobicContact CB-CB 4.35Å; V426-A466 WeakPolarHBondContact CG2-O 3.39Å; L462-A466 WeakPolarHBondContact O-CB 3.43Å; L462-A466 PolarHBondContact O-N 3.44Å; L463-A466 PolarHBondContact O-N 3.48Å; A466-A469 PolarHBondContact O-N 2.92Å; A466-V470 WeakPolarHBondContact O-CG2 3.45Å; A466-V470 PolarHBondContact O-N 3.36Å
467	F	62.2	Low	61.6	Low	113 Å²	113	71.2 Å²	71.2	50%	0.496	37%	0.365	S	S	.	.	H	α-helix	trans	-65.9	-44.2	179.1	-157.7	-90.1	0	0	0	112.6	L463 T464 R465 A469 V470 H471	L463-F467 WeakPolarHBondContact O-CB 3.37Å; L463-F467 PolarHBondContact O-N 2.87Å; T464-F467 PolarHBondContact O-N 3.36Å; R465-F467 VanDerWaalsContact C-N 3.32Å; R465-F467 PolarHBondContact O-N 2.94Å; F467-A469 VanDerWaalsContact C-N 3.31Å; F467-A469 PolarHBondContact O-N 3.46Å; F467-V470 WeakPolarHBondContact O-CB 3.37Å; F467-V470 PolarHBondContact O-N 3.27Å; F467-H471 AromaticContact CD1-CD2 3.85Å; F467-H471 AromaticContact CE1-CD2 3.47Å; F467-H471 VanDerWaalsContact CE1-CD2 3.47Å; F467-H471 WeakPolarHBondContact CE1-CD2 3.49Å; F467-H471 AromaticContact CE1-NE2 3.71Å; F467-H471 PolarHBondContact O-N 3.03Å
468	L	62.8	Low	61.1	Low	94 Å²	94	73.4 Å²	73.4	49%	0.492	37%	0.368	S	S	.	.	H	α-helix	trans	-60.6	-40.9	173.7	-80.4	163.7	0	0	0	111.4	T464 R465 V470 H471 Y472	T464-L468 HydrophobicContact CG2-CD1 4.05Å; T464-L468 WeakPolarHBondContact O-CB 3.34Å; T464-L468 WeakPolarHBondContact O-CG 3.4Å; T464-L468 PolarHBondContact O-N 3.47Å; R465-L468 PolarHBondContact O-N 3.34Å; L468-V470 VanDerWaalsContact C-N 3.35Å; L468-V470 PolarHBondContact O-N 3.45Å; L468-H471 PolarHBondContact O-N 2.85Å; L468-Y472 WeakPolarHBondContact O-CB 3.24Å; L468-Y472 WeakPolarHBondContact O-CD2 3.18Å; L468-Y472 PolarHBondContact O-N 3.15Å
469	A	59.1	Low	60.8	Low	48 Å²	48	73.5 Å²	73.5	40%	0.397	38%	0.378	S	S	.	.	H	α-helix	trans	-62.9	-38.2	175.7	0	0	0	0	0	112.5	V426 R465 A466 F467 G473	V426-A469 HydrophobicContact CG2-CB 4.4Å; R465-A469 WeakPolarHBondContact O-CB 3.46Å; R465-A469 PolarHBondContact O-N 3.34Å; A466-A469 PolarHBondContact O-N 2.92Å; F467-A469 VanDerWaalsContact C-N 3.31Å; F467-A469 PolarHBondContact O-N 3.46Å; A469-G473 PolarHBondContact O-N 3.32Å
470	V	60.7	Low	60.3	Low	15 Å²	15	80.1 Å²	80.1	9%	0.091	41%	0.407	C	S	.	.	H	α-helix	trans	-60.7	-49.3	171.2	179.6	0	0	0	0	110.3	L425 V426 A466 F467 L468 Y472 G473 L474	L425-V470 HydrophobicContact CB-CG2 4.25Å; V426-V470 HydrophobicContact CB-CG2 4.24Å; V426-V470 HydrophobicContact CG2-CB 4.36Å; V426-V470 HydrophobicContact CG2-CG2 3.21Å; A466-V470 WeakPolarHBondContact O-CG2 3.45Å; A466-V470 PolarHBondContact O-N 3.36Å; F467-V470 WeakPolarHBondContact O-CB 3.37Å; F467-V470 PolarHBondContact O-N 3.27Å; L468-V470 VanDerWaalsContact C-N 3.35Å; L468-V470 PolarHBondContact O-N 3.45Å; V470-Y472 PolarHBondContact O-N 2.87Å; V470-G473 PolarHBondContact O-N 3.32Å; V470-L474 HydrophobicContact CG1-CD1 3.84Å; V470-L474 HydrophobicContact CG1-CG 4.29Å; V470-L474 WeakPolarHBondContact O-CB 3.41Å; V470-L474 WeakPolarHBondContact O-CG 3.29Å; V470-L474 PolarHBondContact O-N 2.92Å
471	H	63.1	Low	59.7	Low	107 Å²	107	81.5 Å²	81.5	50%	0.495	41%	0.41	S	S	.	.	H	α-helix	trans	-61.6	-44.8	-178.6	-106	-83.5	0	0	0	112.2	F467 L468 L474 L475	F467-H471 AromaticContact CD1-CD2 3.85Å; F467-H471 AromaticContact CE1-CD2 3.47Å; F467-H471 VanDerWaalsContact CE1-CD2 3.47Å; F467-H471 WeakPolarHBondContact CE1-CD2 3.49Å; F467-H471 AromaticContact CE1-NE2 3.71Å; F467-H471 PolarHBondContact O-N 3.03Å; L468-H471 PolarHBondContact O-N 2.85Å; H471-L474 PolarHBondContact O-N 2.86Å; H471-L475 WeakPolarHBondContact O-CB 3.42Å; H471-L475 PolarHBondContact O-N 3.46Å
472	Y	61.9	Low	59.3	Low	168 Å²	168	83.7 Å²	83.7	66%	0.659	42%	0.42	S	S	*	.	H	α-helix	trans	-64.2	-40.7	175.7	-94	-79.5	0	0	0	112.4	L468 V470 L475 S476	L468-Y472 WeakPolarHBondContact O-CB 3.24Å; L468-Y472 WeakPolarHBondContact O-CD2 3.18Å; L468-Y472 PolarHBondContact O-N 3.15Å; V470-Y472 PolarHBondContact O-N 2.87Å; Y472-L475 PolarHBondContact O-N 3.21Å; Y472-S476 WeakPolarHBondContact O-CB 3.4Å; Y472-S476 PolarHBondContact O-N 3.32Å
473	G	63.1	Low	58.9	Low	13 Å²	13	84 Å²	84	13%	0.134	43%	0.433	C	S	.	.	H	α-helix	trans	-60.9	-45.6	174.5	0	0	0	0	0	112.1	A469 V470 S476 C477	A469-G473 PolarHBondContact O-N 3.32Å; V470-G473 PolarHBondContact O-N 3.32Å; G473-S476 PolarHBondContact O-N 3.5Å; G473-C477 PolarHBondContact O-N 3.4Å; G473-C477 PolarHBondContact O-SG 2.84Å; G473-C477 VanDerWaalsContact O-SG 3.34Å
474	L	57.6	Low	58.4	Low	95 Å²	95	93.6 Å²	93.6	50%	0.497	47%	0.468	S	S	.	.	H	α-helix	trans	-63.2	-42.8	175.4	-73.2	171.6	0	0	0	112.1	V470 H471 S476 C477 Y478	V470-L474 HydrophobicContact CG1-CD1 3.84Å; V470-L474 HydrophobicContact CG1-CG 4.29Å; V470-L474 WeakPolarHBondContact O-CB 3.41Å; V470-L474 WeakPolarHBondContact O-CG 3.29Å; V470-L474 PolarHBondContact O-N 2.92Å; H471-L474 PolarHBondContact O-N 2.86Å; L474-S476 VanDerWaalsContact C-N 3.34Å; L474-S476 PolarHBondContact O-N 3.22Å; L474-C477 PolarHBondContact O-N 3.06Å; L474-Y478 WeakPolarHBondContact O-CB 3.36Å; L474-Y478 PolarHBondContact O-N 3.08Å
475	L	55.2	Low	57.6	Low	117 Å²	117	96.9 Å²	96.9	61%	0.613	48%	0.475	S	S	*	.	H	α-helix	trans	-64.1	-40.5	177.6	-148.1	80.8	0	0	0	111.3	H471 Y472 Y478 A479	H471-L475 WeakPolarHBondContact O-CB 3.42Å; H471-L475 PolarHBondContact O-N 3.46Å; Y472-L475 PolarHBondContact O-N 3.21Å; L475-Y478 PolarHBondContact O-N 3.11Å; L475-A479 WeakPolarHBondContact O-CB 3.43Å; L475-A479 PolarHBondContact O-N 3.06Å
476	S	60.1	Low	56.4	Low	67 Å²	67	103.8 Å²	103.8	47%	0.469	50%	0.501	S	S	.	.	H	α-helix	trans	-65.1	-41.8	175.3	-175.7	0	0	0	0	111.9	Y472 G473 L474 A479 K480	Y472-S476 WeakPolarHBondContact O-CB 3.4Å; Y472-S476 PolarHBondContact O-N 3.32Å; G473-S476 PolarHBondContact O-N 3.5Å; L474-S476 VanDerWaalsContact C-N 3.34Å; L474-S476 PolarHBondContact O-N 3.22Å; S476-A479 PolarHBondContact O-N 2.86Å; S476-K480 PolarHBondContact O-N 3.17Å
477	C	56.8	Low	56.2	Low	42 Å²	42	108.3 Å²	108.3	28%	0.284	52%	0.52	S	S	.	.	H	α-helix	trans	-61	-44.3	172.4	-72.7	0	0	0	0	111.7	N433 G473 L474 K480 Y481	N433-C477 PolarHBondContact ND2-SG 3.39Å; G473-C477 PolarHBondContact O-N 3.4Å; G473-C477 PolarHBondContact O-SG 2.84Å; G473-C477 VanDerWaalsContact O-SG 3.34Å; L474-C477 PolarHBondContact O-N 3.06Å; C477-K480 PolarHBondContact O-N 3.47Å; C477-Y481 WeakPolarHBondContact O-CB 3.38Å; C477-Y481 PolarHBondContact O-N 2.85Å
478	Y	55.5	Low	55.9	Low	150 Å²	150	108 Å²	108	59%	0.588	52%	0.522	S	S	*	.	H	α-helix	trans	-64.7	-41.7	178.6	-163.3	-103.3	0	0	0	111.5	L474 L475 Y481 L482	L474-Y478 WeakPolarHBondContact O-CB 3.36Å; L474-Y478 PolarHBondContact O-N 3.08Å; L475-Y478 PolarHBondContact O-N 3.11Å; Y478-Y481 PolarHBondContact O-N 3.47Å; Y478-L482 HydrophobicContact CD1-CD1 3.67Å; Y478-L482 HydrophobicContact CD1-CG 4.18Å; Y478-L482 HydrophobicContact CE1-CD1 3.52Å; Y478-L482 HydrophobicContact CE1-CD2 4.45Å; Y478-L482 HydrophobicContact CE1-CG 4.03Å; Y478-L482 WeakPolarHBondContact O-CB 3.48Å; Y478-L482 WeakPolarHBondContact O-CG 3.37Å; Y478-L482 PolarHBondContact O-N 3.23Å
479	A	55.6	Low	55.5	Low	62 Å²	62	108.8 Å²	108.8	51%	0.512	52%	0.523	S	S	.	.	H	α-helix	trans	-63.8	-41.3	174.7	0	0	0	0	0	112.4	L475 S476 L482 G483	L475-A479 WeakPolarHBondContact O-CB 3.43Å; L475-A479 PolarHBondContact O-N 3.06Å; S476-A479 PolarHBondContact O-N 2.86Å; A479-L482 PolarHBondContact O-N 3.35Å; A479-G483 PolarHBondContact O-N 2.98Å
480	K	55.2	Low	55.3	Low	141 Å²	141	112.4 Å²	112.4	61%	0.613	53%	0.531	S	S	*	.	H	α-helix	trans	-64	-39.2	172.5	-103.1	-177	177.4	177.9	0	112.4	S476 C477 G483 R484	S476-K480 PolarHBondContact O-N 3.17Å; C477-K480 PolarHBondContact O-N 3.47Å; K480-G483 PolarHBondContact O-N 3.13Å; K480-R484 PolarHBondContact O-N 3.25Å
481	Y	51	Low	55	Low	140 Å²	140	118.4 Å²	118.4	55%	0.549	56%	0.558	S	S	.	*	H	α-helix	trans	-65.1	-46.4	176.9	-174	-95.7	0	0	0	110.9	C477 Y478 G483 R484 F485	C477-Y481 WeakPolarHBondContact O-CB 3.38Å; C477-Y481 PolarHBondContact O-N 2.85Å; Y478-Y481 PolarHBondContact O-N 3.47Å; Y481-G483 VanDerWaalsContact C-N 3.33Å; Y481-G483 PolarHBondContact O-N 3.41Å; Y481-R484 PolarHBondContact O-N 2.87Å; Y481-R484 VanDerWaalsContact O-N 3.13Å; Y481-F485 HydrophobicContact CD1-CD2 4.3Å; Y481-F485 HydrophobicContact CD1-CE2 4.27Å; Y481-F485 AromaticContact CE1-CD2 3.99Å; Y481-F485 HydrophobicContact CE1-CD2 3.99Å; Y481-F485 AromaticContact CE1-CE2 3.55Å; Y481-F485 HydrophobicContact CE1-CE2 3.55Å; Y481-F485 HydrophobicContact CE2-CE2 4.26Å; Y481-F485 AromaticContact CZ-CE2 3.55Å
482	L	54.3	Low	54.5	Low	87 Å²	87	119.2 Å²	119.2	46%	0.455	56%	0.563	S	S	.	*	H	α-helix	trans	-63.2	-37.5	173.9	-72.9	175.1	0	0	0	112.6	Y478 A479 R484 F485 R486	Y478-L482 HydrophobicContact CD1-CD1 3.67Å; Y478-L482 HydrophobicContact CD1-CG 4.18Å; Y478-L482 HydrophobicContact CE1-CD1 3.52Å; Y478-L482 HydrophobicContact CE1-CD2 4.45Å; Y478-L482 HydrophobicContact CE1-CG 4.03Å; Y478-L482 WeakPolarHBondContact O-CB 3.48Å; Y478-L482 WeakPolarHBondContact O-CG 3.37Å; Y478-L482 PolarHBondContact O-N 3.23Å; A479-L482 PolarHBondContact O-N 3.35Å; L482-R484 PolarHBondContact O-N 3.29Å; L482-F485 PolarHBondContact O-N 3.25Å; L482-R486 PolarHBondContact O-N 3.46Å
483	G	55.3	Low	53.9	Low	47 Å²	47	115.7 Å²	115.7	49%	0.485	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.4	-12.3	175.1	0	0	0	0	0	114.4	A479 K480 Y481	A479-G483 PolarHBondContact O-N 2.98Å; K480-G483 PolarHBondContact O-N 3.13Å; Y481-G483 VanDerWaalsContact C-N 3.33Å; Y481-G483 PolarHBondContact O-N 3.41Å
484	R	52.1	Low	53.2	Low	224 Å²	224	123.6 Å²	123.6	85%	0.845	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-10.4	168.3	-77	-173.5	174.6	-176.7	-2.1	113.5	K480 Y481 L482	K480-R484 PolarHBondContact O-N 3.25Å; Y481-R484 PolarHBondContact O-N 2.87Å; Y481-R484 VanDerWaalsContact O-N 3.13Å; L482-R484 PolarHBondContact O-N 3.29Å
485	F	44.2	Very low	52.9	Low	153 Å²	153	126 Å²	126	67%	0.671	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-7	175.1	-86.9	-81.6	0	0	0	113.3	Y481 L482	Y481-F485 HydrophobicContact CD1-CD2 4.3Å; Y481-F485 HydrophobicContact CD1-CE2 4.27Å; Y481-F485 AromaticContact CE1-CD2 3.99Å; Y481-F485 HydrophobicContact CE1-CD2 3.99Å; Y481-F485 AromaticContact CE1-CE2 3.55Å; Y481-F485 HydrophobicContact CE1-CE2 3.55Å; Y481-F485 HydrophobicContact CE2-CE2 4.26Å; Y481-F485 AromaticContact CZ-CE2 3.55Å; L482-F485 PolarHBondContact O-N 3.25Å
486	R	39	Very low	52.6	Low	282 Å²	282	126.8 Å²	126.8	100%	1.064	59%	0.594	S	S	*	*			trans	-95	0	159.6	-76.3	-172.9	174.9	-176.1	-2	108.3	L482	L482-R486 PolarHBondContact O-N 3.46Å

Retrieved 486 of 486 residues in 417 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).